Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 16779
_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 1H-15N HSQC' . . . 16779 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 2 2 LEU HA H 1 4.618 0.001 . . . . . . 2 L HA . 16779 1
2 . 1 1 2 2 LEU HB2 H 1 1.515 0.005 . . . . . . 2 L QB . 16779 1
3 . 1 1 2 2 LEU HB3 H 1 1.515 0.005 . . . . . . 2 L QB . 16779 1
4 . 1 1 2 2 LEU C C 13 176.586 0.000 . . . . . . 2 L CO . 16779 1
5 . 1 1 2 2 LEU CB C 13 42.632 0.016 . . . . . . 2 L CB . 16779 1
6 . 1 1 3 3 ARG H H 1 8.174 0.002 . . . . . . 3 R HN . 16779 1
7 . 1 1 3 3 ARG HA H 1 4.252 0.002 . . . . . . 3 R HA . 16779 1
8 . 1 1 3 3 ARG HB2 H 1 1.703 0.002 . . . . . . 3 R HB2 . 16779 1
9 . 1 1 3 3 ARG HD2 H 1 3.137 0.000 . . . . . . 3 R HD . 16779 1
10 . 1 1 3 3 ARG HD3 H 1 3.137 0.000 . . . . . . 3 R HD . 16779 1
11 . 1 1 3 3 ARG HG2 H 1 1.534 0.000 . . . . . . 3 R HG . 16779 1
12 . 1 1 3 3 ARG HG3 H 1 1.534 0.000 . . . . . . 3 R HG . 16779 1
13 . 1 1 3 3 ARG C C 13 175.748 0.080 . . . . . . 3 R CO . 16779 1
14 . 1 1 3 3 ARG CA C 13 55.975 0.085 . . . . . . 3 R CA . 16779 1
15 . 1 1 3 3 ARG CB C 13 30.682 0.023 . . . . . . 3 R CB . 16779 1
16 . 1 1 3 3 ARG CD C 13 43.438 0.000 . . . . . . 3 R CD . 16779 1
17 . 1 1 3 3 ARG CG C 13 27.136 0.000 . . . . . . 3 R CG . 16779 1
18 . 1 1 3 3 ARG N N 15 122.473 0.077 . . . . . . 3 R N . 16779 1
19 . 1 1 4 4 LEU H H 1 8.132 0.004 . . . . . . 4 L HN . 16779 1
20 . 1 1 4 4 LEU HA H 1 4.297 0.014 . . . . . . 4 L HA . 16779 1
21 . 1 1 4 4 LEU HB2 H 1 1.345 0.003 . . . . . . 4 L HB2 . 16779 1
22 . 1 1 4 4 LEU HB3 H 1 1.482 0.004 . . . . . . 4 L HB3 . 16779 1
23 . 1 1 4 4 LEU C C 13 176.925 0.000 . . . . . . 4 L CO . 16779 1
24 . 1 1 4 4 LEU CA C 13 55.041 0.115 . . . . . . 4 L CA . 16779 1
25 . 1 1 4 4 LEU CB C 13 42.556 0.065 . . . . . . 4 L CB . 16779 1
26 . 1 1 4 4 LEU CD1 C 13 25.231 0.000 . . . . . . 4 L CD1 . 16779 1
27 . 1 1 4 4 LEU CD2 C 13 23.398 0.000 . . . . . . 4 L CD2 . 16779 1
28 . 1 1 4 4 LEU CG C 13 26.813 0.000 . . . . . . 4 L CG . 16779 1
29 . 1 1 4 4 LEU N N 15 123.380 0.055 . . . . . . 4 L N . 16779 1
30 . 1 1 5 5 PHE H H 1 8.224 0.002 . . . . . . 5 F HN . 16779 1
31 . 1 1 5 5 PHE HA H 1 4.595 0.006 . . . . . . 5 F HA . 16779 1
32 . 1 1 5 5 PHE HB2 H 1 3.005 0.004 . . . . . . 5 F HB2 . 16779 1
33 . 1 1 5 5 PHE HB3 H 1 3.127 0.003 . . . . . . 5 F HB3 . 16779 1
34 . 1 1 5 5 PHE C C 13 176.352 0.054 . . . . . . 5 F CO . 16779 1
35 . 1 1 5 5 PHE CA C 13 57.914 0.097 . . . . . . 5 F CA . 16779 1
36 . 1 1 5 5 PHE CB C 13 39.745 0.016 . . . . . . 5 F CB . 16779 1
37 . 1 1 5 5 PHE N N 15 120.229 0.011 . . . . . . 5 F N . 16779 1
38 . 1 1 6 6 GLY H H 1 8.493 0.003 . . . . . . 6 G HN . 16779 1
39 . 1 1 6 6 GLY HA2 H 1 3.909 0.005 . . . . . . 6 G HA1 . 16779 1
40 . 1 1 6 6 GLY HA3 H 1 3.734 0.001 . . . . . . 6 G HA2 . 16779 1
41 . 1 1 6 6 GLY C C 13 174.209 0.043 . . . . . . 6 G CO . 16779 1
42 . 1 1 6 6 GLY CA C 13 45.569 0.026 . . . . . . 6 G CA . 16779 1
43 . 1 1 6 6 GLY N N 15 110.702 0.026 . . . . . . 6 G N . 16779 1
44 . 1 1 7 7 GLN H H 1 8.074 0.002 . . . . . . 7 Q HN . 16779 1
45 . 1 1 7 7 GLN HA H 1 4.338 0.009 . . . . . . 7 Q HA . 16779 1
46 . 1 1 7 7 GLN HB2 H 1 2.129 0.003 . . . . . . 7 Q HB2 . 16779 1
47 . 1 1 7 7 GLN HB3 H 1 1.955 0.005 . . . . . . 7 Q HB3 . 16779 1
48 . 1 1 7 7 GLN HE21 H 1 7.539 0.005 . . . . . . 7 Q HE21 . 16779 1
49 . 1 1 7 7 GLN HE22 H 1 6.862 0.006 . . . . . . 7 Q HE22 . 16779 1
50 . 1 1 7 7 GLN HG2 H 1 2.308 0.007 . . . . . . 7 Q HG2 . 16779 1
51 . 1 1 7 7 GLN C C 13 175.329 0.020 . . . . . . 7 Q CO . 16779 1
52 . 1 1 7 7 GLN CA C 13 55.761 0.044 . . . . . . 7 Q CA . 16779 1
53 . 1 1 7 7 GLN CB C 13 29.798 0.041 . . . . . . 7 Q CB . 16779 1
54 . 1 1 7 7 GLN CG C 13 33.980 0.022 . . . . . . 7 Q CG . 16779 1
55 . 1 1 7 7 GLN N N 15 119.717 0.050 . . . . . . 7 Q N . 16779 1
56 . 1 1 7 7 GLN NE2 N 15 112.859 0.022 . . . . . . 7 Q NE2 . 16779 1
57 . 1 1 8 8 ASP H H 1 8.179 0.003 . . . . . . 8 D HN . 16779 1
58 . 1 1 8 8 ASP HA H 1 4.534 0.006 . . . . . . 8 D HA . 16779 1
59 . 1 1 8 8 ASP HB2 H 1 2.616 0.009 . . . . . . 8 D HB2 . 16779 1
60 . 1 1 8 8 ASP HB3 H 1 2.631 0.001 . . . . . . 8 D HB3 . 16779 1
61 . 1 1 8 8 ASP C C 13 176.498 0.047 . . . . . . 8 D CO . 16779 1
62 . 1 1 8 8 ASP CA C 13 54.427 0.045 . . . . . . 8 D CA . 16779 1
63 . 1 1 8 8 ASP CB C 13 41.616 0.079 . . . . . . 8 D CB . 16779 1
64 . 1 1 8 8 ASP N N 15 120.134 0.036 . . . . . . 8 D N . 16779 1
65 . 1 1 9 9 GLY H H 1 8.436 0.006 . . . . . . 9 G HN . 16779 1
66 . 1 1 9 9 GLY HA2 H 1 3.870 0.017 . . . . . . 9 G HA1 . 16779 1
67 . 1 1 9 9 GLY HA3 H 1 3.697 0.009 . . . . . . 9 G HA2 . 16779 1
68 . 1 1 9 9 GLY C C 13 172.677 0.016 . . . . . . 9 G CO . 16779 1
69 . 1 1 9 9 GLY CA C 13 45.498 0.046 . . . . . . 9 G CA . 16779 1
70 . 1 1 9 9 GLY N N 15 108.170 0.037 . . . . . . 9 G N . 16779 1
71 . 1 1 10 10 LEU H H 1 7.719 0.010 . . . . . . 10 L HN . 16779 1
72 . 1 1 10 10 LEU HA H 1 4.364 0.009 . . . . . . 10 L HA . 16779 1
73 . 1 1 10 10 LEU HB2 H 1 1.119 0.016 . . . . . . 10 L HB2 . 16779 1
74 . 1 1 10 10 LEU HB3 H 1 1.459 0.009 . . . . . . 10 L HB3 . 16779 1
75 . 1 1 10 10 LEU HD11 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1
76 . 1 1 10 10 LEU HD12 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1
77 . 1 1 10 10 LEU HD13 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1
78 . 1 1 10 10 LEU HD21 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1
79 . 1 1 10 10 LEU HD22 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1
80 . 1 1 10 10 LEU HD23 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1
81 . 1 1 10 10 LEU HG H 1 1.318 0.009 . . . . . . 10 L HG . 16779 1
82 . 1 1 10 10 LEU C C 13 175.051 0.015 . . . . . . 10 L CO . 16779 1
83 . 1 1 10 10 LEU CA C 13 53.369 0.089 . . . . . . 10 L CA . 16779 1
84 . 1 1 10 10 LEU CB C 13 43.485 0.068 . . . . . . 10 L CB . 16779 1
85 . 1 1 10 10 LEU CD1 C 13 24.576 0.010 . . . . . . 10 L CD1 . 16779 1
86 . 1 1 10 10 LEU CD2 C 13 23.180 0.056 . . . . . . 10 L CD2 . 16779 1
87 . 1 1 10 10 LEU CG C 13 26.832 0.002 . . . . . . 10 L CG . 16779 1
88 . 1 1 10 10 LEU N N 15 121.106 0.097 . . . . . . 10 L N . 16779 1
89 . 1 1 11 11 CYS H H 1 8.116 0.005 . . . . . . 11 C HN . 16779 1
90 . 1 1 11 11 CYS HA H 1 4.387 0.023 . . . . . . 11 C HA . 16779 1
91 . 1 1 11 11 CYS HB2 H 1 2.255 0.008 . . . . . . 11 C HB2 . 16779 1
92 . 1 1 11 11 CYS HB3 H 1 3.483 0.007 . . . . . . 11 C HB3 . 16779 1
93 . 1 1 11 11 CYS C C 13 177.880 0.004 . . . . . . 11 C CO . 16779 1
94 . 1 1 11 11 CYS CA C 13 58.642 0.045 . . . . . . 11 C CA . 16779 1
95 . 1 1 11 11 CYS CB C 13 31.211 0.062 . . . . . . 11 C CB . 16779 1
96 . 1 1 11 11 CYS N N 15 124.226 0.074 . . . . . . 11 C N . 16779 1
97 . 1 1 12 12 ALA H H 1 8.761 0.007 . . . . . . 12 A HN . 16779 1
98 . 1 1 12 12 ALA HA H 1 4.083 0.005 . . . . . . 12 A HA . 16779 1
99 . 1 1 12 12 ALA HB1 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1
100 . 1 1 12 12 ALA HB2 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1
101 . 1 1 12 12 ALA HB3 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1
102 . 1 1 12 12 ALA C C 13 177.283 0.051 . . . . . . 12 A CO . 16779 1
103 . 1 1 12 12 ALA CA C 13 53.831 0.021 . . . . . . 12 A CA . 16779 1
104 . 1 1 12 12 ALA CB C 13 17.976 0.072 . . . . . . 12 A CB . 16779 1
105 . 1 1 12 12 ALA N N 15 132.290 0.034 . . . . . . 12 A N . 16779 1
106 . 1 1 13 13 SER H H 1 8.906 0.007 . . . . . . 13 S HN . 16779 1
107 . 1 1 13 13 SER HA H 1 4.962 0.007 . . . . . . 13 S HA . 16779 1
108 . 1 1 13 13 SER HB2 H 1 4.242 0.006 . . . . . . 13 S QB . 16779 1
109 . 1 1 13 13 SER HB3 H 1 4.242 0.006 . . . . . . 13 S QB . 16779 1
110 . 1 1 13 13 SER C C 13 175.661 0.024 . . . . . . 13 S CO . 16779 1
111 . 1 1 13 13 SER CA C 13 59.412 0.042 . . . . . . 13 S CA . 16779 1
112 . 1 1 13 13 SER CB C 13 64.355 0.078 . . . . . . 13 S CB . 16779 1
113 . 1 1 13 13 SER N N 15 113.627 0.041 . . . . . . 13 S N . 16779 1
114 . 1 1 14 14 CYS H H 1 8.143 0.006 . . . . . . 14 C HN . 16779 1
115 . 1 1 14 14 CYS HA H 1 4.937 0.007 . . . . . . 14 C HA . 16779 1
116 . 1 1 14 14 CYS HB2 H 1 3.093 0.006 . . . . . . 14 C HB2 . 16779 1
117 . 1 1 14 14 CYS HB3 H 1 3.360 0.005 . . . . . . 14 C HB3 . 16779 1
118 . 1 1 14 14 CYS C C 13 175.685 0.000 . . . . . . 14 C CO . 16779 1
119 . 1 1 14 14 CYS CA C 13 59.112 0.042 . . . . . . 14 C CA . 16779 1
120 . 1 1 14 14 CYS CB C 13 31.336 0.019 . . . . . . 14 C CB . 16779 1
121 . 1 1 14 14 CYS N N 15 117.012 0.023 . . . . . . 14 C N . 16779 1
122 . 1 1 15 15 ASP H H 1 8.082 0.006 . . . . . . 15 D HN . 16779 1
123 . 1 1 15 15 ASP HA H 1 4.431 0.003 . . . . . . 15 D HA . 16779 1
124 . 1 1 15 15 ASP HB2 H 1 2.646 0.011 . . . . . . 15 D HB2 . 16779 1
125 . 1 1 15 15 ASP HB3 H 1 3.085 0.005 . . . . . . 15 D HB3 . 16779 1
126 . 1 1 15 15 ASP C C 13 174.066 0.002 . . . . . . 15 D CO . 16779 1
127 . 1 1 15 15 ASP CA C 13 56.402 0.053 . . . . . . 15 D CA . 16779 1
128 . 1 1 15 15 ASP CB C 13 40.730 0.097 . . . . . . 15 D CB . 16779 1
129 . 1 1 15 15 ASP N N 15 119.933 0.142 . . . . . . 15 D N . 16779 1
130 . 1 1 16 16 LYS H H 1 7.906 0.007 . . . . . . 16 K HN . 16779 1
131 . 1 1 16 16 LYS HA H 1 4.700 0.005 . . . . . . 16 K HA . 16779 1
132 . 1 1 16 16 LYS HB2 H 1 1.997 0.011 . . . . . . 16 K HB2 . 16779 1
133 . 1 1 16 16 LYS HB3 H 1 2.085 0.005 . . . . . . 16 K HB3 . 16779 1
134 . 1 1 16 16 LYS HD3 H 1 1.735 0.009 . . . . . . 16 K HD3 . 16779 1
135 . 1 1 16 16 LYS HE2 H 1 3.045 0.008 . . . . . . 16 K HE2 . 16779 1
136 . 1 1 16 16 LYS HG2 H 1 1.512 0.009 . . . . . . 16 K HG2 . 16779 1
137 . 1 1 16 16 LYS HG3 H 1 1.647 0.005 . . . . . . 16 K HG3 . 16779 1
138 . 1 1 16 16 LYS C C 13 176.620 0.012 . . . . . . 16 K CO . 16779 1
139 . 1 1 16 16 LYS CA C 13 54.954 0.049 . . . . . . 16 K CA . 16779 1
140 . 1 1 16 16 LYS CB C 13 34.918 0.034 . . . . . . 16 K CB . 16779 1
141 . 1 1 16 16 LYS CD C 13 29.095 0.000 . . . . . . 16 K CD . 16779 1
142 . 1 1 16 16 LYS CG C 13 25.362 0.062 . . . . . . 16 K CG . 16779 1
143 . 1 1 16 16 LYS N N 15 116.810 0.028 . . . . . . 16 K N . 16779 1
144 . 1 1 17 17 ARG H H 1 8.502 0.006 . . . . . . 17 R HN . 16779 1
145 . 1 1 17 17 ARG HA H 1 4.241 0.005 . . . . . . 17 R HA . 16779 1
146 . 1 1 17 17 ARG HB2 H 1 1.664 0.008 . . . . . . 17 R HB2 . 16779 1
147 . 1 1 17 17 ARG HD2 H 1 3.030 0.011 . . . . . . 17 R HD2 . 16779 1
148 . 1 1 17 17 ARG HG2 H 1 1.381 0.010 . . . . . . 17 R HG2 . 16779 1
149 . 1 1 17 17 ARG HG3 H 1 1.544 0.013 . . . . . . 17 R HG3 . 16779 1
150 . 1 1 17 17 ARG C C 13 176.261 0.000 . . . . . . 17 R CO . 16779 1
151 . 1 1 17 17 ARG CA C 13 56.916 0.020 . . . . . . 17 R CA . 16779 1
152 . 1 1 17 17 ARG CB C 13 30.636 0.038 . . . . . . 17 R CB . 16779 1
153 . 1 1 17 17 ARG CD C 13 43.212 0.000 . . . . . . 17 R CD . 16779 1
154 . 1 1 17 17 ARG CG C 13 27.179 0.000 . . . . . . 17 R CG . 16779 1
155 . 1 1 17 17 ARG N N 15 121.265 0.029 . . . . . . 17 R N . 16779 1
156 . 1 1 18 18 ILE H H 1 8.333 0.005 . . . . . . 18 I HN . 16779 1
157 . 1 1 18 18 ILE HA H 1 3.960 0.006 . . . . . . 18 I HA . 16779 1
158 . 1 1 18 18 ILE HB H 1 1.430 0.010 . . . . . . 18 I HB . 16779 1
159 . 1 1 18 18 ILE HD11 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1
160 . 1 1 18 18 ILE HD12 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1
161 . 1 1 18 18 ILE HD13 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1
162 . 1 1 18 18 ILE HG12 H 1 -0.476 0.007 . . . . . . 18 I HG12 . 16779 1
163 . 1 1 18 18 ILE HG13 H 1 1.236 0.015 . . . . . . 18 I HG13 . 16779 1
164 . 1 1 18 18 ILE HG21 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1
165 . 1 1 18 18 ILE HG22 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1
166 . 1 1 18 18 ILE HG23 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1
167 . 1 1 18 18 ILE C C 13 175.847 0.014 . . . . . . 18 I CO . 16779 1
168 . 1 1 18 18 ILE CA C 13 61.091 0.019 . . . . . . 18 I CA . 16779 1
169 . 1 1 18 18 ILE CB C 13 38.613 0.023 . . . . . . 18 I CB . 16779 1
170 . 1 1 18 18 ILE CD1 C 13 14.378 0.081 . . . . . . 18 I CD1 . 16779 1
171 . 1 1 18 18 ILE CG1 C 13 26.641 0.046 . . . . . . 18 I CG1 . 16779 1
172 . 1 1 18 18 ILE CG2 C 13 18.507 0.036 . . . . . . 18 I CG2 . 16779 1
173 . 1 1 18 18 ILE N N 15 128.073 0.054 . . . . . . 18 I N . 16779 1
174 . 1 1 19 19 ARG H H 1 9.341 0.006 . . . . . . 19 R HN . 16779 1
175 . 1 1 19 19 ARG HA H 1 4.234 0.008 . . . . . . 19 R HA . 16779 1
176 . 1 1 19 19 ARG CA C 13 55.584 0.015 . . . . . . 19 R CA . 16779 1
177 . 1 1 19 19 ARG CB C 13 30.611 0.000 . . . . . . 19 R CB . 16779 1
178 . 1 1 19 19 ARG N N 15 127.508 0.024 . . . . . . 19 R N . 16779 1
179 . 1 1 20 20 ALA HA H 1 3.943 0.000 . . . . . . 20 A HA . 16779 1
180 . 1 1 20 20 ALA CA C 13 54.544 0.000 . . . . . . 20 A CA . 16779 1
181 . 1 1 21 21 TYR HA H 1 4.488 0.013 . . . . . . 21 Y HA . 16779 1
182 . 1 1 21 21 TYR HB2 H 1 2.940 0.004 . . . . . . 21 Y HB2 . 16779 1
183 . 1 1 21 21 TYR HB3 H 1 3.405 0.007 . . . . . . 21 Y HB3 . 16779 1
184 . 1 1 21 21 TYR HD1 H 1 7.048 0.004 . . . . . . 21 Y QD . 16779 1
185 . 1 1 21 21 TYR HD2 H 1 7.048 0.004 . . . . . . 21 Y QD . 16779 1
186 . 1 1 21 21 TYR HE1 H 1 6.868 0.002 . . . . . . 21 Y QE . 16779 1
187 . 1 1 21 21 TYR HE2 H 1 6.868 0.002 . . . . . . 21 Y QE . 16779 1
188 . 1 1 21 21 TYR C C 13 174.971 0.000 . . . . . . 21 Y CO . 16779 1
189 . 1 1 21 21 TYR CA C 13 56.218 0.000 . . . . . . 21 Y CA . 16779 1
190 . 1 1 21 21 TYR CB C 13 36.772 0.019 . . . . . . 21 Y CB . 16779 1
191 . 1 1 22 22 GLU H H 1 7.533 0.006 . . . . . . 22 E HN . 16779 1
192 . 1 1 22 22 GLU HA H 1 4.398 0.005 . . . . . . 22 E HA . 16779 1
193 . 1 1 22 22 GLU HB2 H 1 2.101 0.006 . . . . . . 22 E HB2 . 16779 1
194 . 1 1 22 22 GLU HB3 H 1 2.192 0.015 . . . . . . 22 E HB3 . 16779 1
195 . 1 1 22 22 GLU HG2 H 1 1.954 0.011 . . . . . . 22 E HG2 . 16779 1
196 . 1 1 22 22 GLU HG3 H 1 2.178 0.007 . . . . . . 22 E HG3 . 16779 1
197 . 1 1 22 22 GLU C C 13 175.757 0.018 . . . . . . 22 E CO . 16779 1
198 . 1 1 22 22 GLU CA C 13 56.832 0.032 . . . . . . 22 E CA . 16779 1
199 . 1 1 22 22 GLU CB C 13 31.249 0.036 . . . . . . 22 E CB . 16779 1
200 . 1 1 22 22 GLU CG C 13 38.994 0.064 . . . . . . 22 E CG . 16779 1
201 . 1 1 22 22 GLU N N 15 121.656 0.067 . . . . . . 22 E N . 16779 1
202 . 1 1 23 23 MET H H 1 8.720 0.004 . . . . . . 23 M HN . 16779 1
203 . 1 1 23 23 MET HA H 1 4.814 0.004 . . . . . . 23 M HA . 16779 1
204 . 1 1 23 23 MET HB2 H 1 1.790 0.005 . . . . . . 23 M HB2 . 16779 1
205 . 1 1 23 23 MET HB3 H 1 2.250 0.006 . . . . . . 23 M HB3 . 16779 1
206 . 1 1 23 23 MET HG2 H 1 2.668 0.005 . . . . . . 23 M HG2 . 16779 1
207 . 1 1 23 23 MET HG3 H 1 2.781 0.005 . . . . . . 23 M HG3 . 16779 1
208 . 1 1 23 23 MET C C 13 176.989 0.018 . . . . . . 23 M CO . 16779 1
209 . 1 1 23 23 MET CA C 13 54.584 0.125 . . . . . . 23 M CA . 16779 1
210 . 1 1 23 23 MET CB C 13 32.995 0.098 . . . . . . 23 M CB . 16779 1
211 . 1 1 23 23 MET CG C 13 32.564 0.065 . . . . . . 23 M CG . 16779 1
212 . 1 1 23 23 MET N N 15 119.435 0.034 . . . . . . 23 M N . 16779 1
213 . 1 1 24 24 THR H H 1 8.925 0.006 . . . . . . 24 T HN . 16779 1
214 . 1 1 24 24 THR HA H 1 5.197 0.008 . . . . . . 24 T HA . 16779 1
215 . 1 1 24 24 THR HB H 1 3.922 0.004 . . . . . . 24 T HB . 16779 1
216 . 1 1 24 24 THR HG21 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1
217 . 1 1 24 24 THR HG22 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1
218 . 1 1 24 24 THR HG23 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1
219 . 1 1 24 24 THR C C 13 173.327 0.017 . . . . . . 24 T CO . 16779 1
220 . 1 1 24 24 THR CA C 13 60.187 0.021 . . . . . . 24 T CA . 16779 1
221 . 1 1 24 24 THR CB C 13 73.458 0.029 . . . . . . 24 T CB . 16779 1
222 . 1 1 24 24 THR CG2 C 13 23.255 0.037 . . . . . . 24 T CG2 . 16779 1
223 . 1 1 24 24 THR N N 15 114.367 0.049 . . . . . . 24 T N . 16779 1
224 . 1 1 25 25 MET H H 1 8.412 0.006 . . . . . . 25 M HN . 16779 1
225 . 1 1 25 25 MET HA H 1 4.858 0.005 . . . . . . 25 M HA . 16779 1
226 . 1 1 25 25 MET HB2 H 1 1.132 0.001 . . . . . . 25 M HB2 . 16779 1
227 . 1 1 25 25 MET HB3 H 1 0.985 0.006 . . . . . . 25 M HB3 . 16779 1
228 . 1 1 25 25 MET HG2 H 1 1.452 0.009 . . . . . . 25 M HG2 . 16779 1
229 . 1 1 25 25 MET C C 13 174.893 0.152 . . . . . . 25 M CO . 16779 1
230 . 1 1 25 25 MET CA C 13 52.645 0.025 . . . . . . 25 M CA . 16779 1
231 . 1 1 25 25 MET CB C 13 33.738 0.043 . . . . . . 25 M CB . 16779 1
232 . 1 1 25 25 MET CG C 13 30.717 0.038 . . . . . . 25 M CG . 16779 1
233 . 1 1 25 25 MET N N 15 117.451 0.035 . . . . . . 25 M N . 16779 1
234 . 1 1 26 26 ARG H H 1 8.142 0.004 . . . . . . 26 R HN . 16779 1
235 . 1 1 26 26 ARG HA H 1 4.997 0.007 . . . . . . 26 R HA . 16779 1
236 . 1 1 26 26 ARG HB2 H 1 1.769 0.003 . . . . . . 26 R HB2 . 16779 1
237 . 1 1 26 26 ARG HB3 H 1 1.590 0.008 . . . . . . 26 R HB3 . 16779 1
238 . 1 1 26 26 ARG HD2 H 1 3.067 0.004 . . . . . . 26 R HD2 . 16779 1
239 . 1 1 26 26 ARG HE H 1 7.162 0.008 . . . . . . 26 R HE . 16779 1
240 . 1 1 26 26 ARG HG2 H 1 1.397 0.009 . . . . . . 26 R HG2 . 16779 1
241 . 1 1 26 26 ARG C C 13 175.771 0.077 . . . . . . 26 R CO . 16779 1
242 . 1 1 26 26 ARG CA C 13 55.255 0.038 . . . . . . 26 R CA . 16779 1
243 . 1 1 26 26 ARG CB C 13 31.840 0.063 . . . . . . 26 R CB . 16779 1
244 . 1 1 26 26 ARG CD C 13 43.317 0.043 . . . . . . 26 R CD . 16779 1
245 . 1 1 26 26 ARG CG C 13 28.400 0.024 . . . . . . 26 R CG . 16779 1
246 . 1 1 26 26 ARG N N 15 124.329 0.039 . . . . . . 26 R N . 16779 1
247 . 1 1 26 26 ARG NE N 15 113.994 0.016 . . . . . . 26 R NE . 16779 1
248 . 1 1 27 27 VAL H H 1 8.470 0.007 . . . . . . 27 V HN . 16779 1
249 . 1 1 27 27 VAL HA H 1 4.159 0.006 . . . . . . 27 V HA . 16779 1
250 . 1 1 27 27 VAL HB H 1 2.176 0.005 . . . . . . 27 V HB . 16779 1
251 . 1 1 27 27 VAL HG11 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1
252 . 1 1 27 27 VAL HG12 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1
253 . 1 1 27 27 VAL HG13 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1
254 . 1 1 27 27 VAL HG21 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1
255 . 1 1 27 27 VAL HG22 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1
256 . 1 1 27 27 VAL HG23 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1
257 . 1 1 27 27 VAL C C 13 174.476 0.009 . . . . . . 27 V CO . 16779 1
258 . 1 1 27 27 VAL CA C 13 61.274 0.034 . . . . . . 27 V CA . 16779 1
259 . 1 1 27 27 VAL CB C 13 34.305 0.067 . . . . . . 27 V CB . 16779 1
260 . 1 1 27 27 VAL CG1 C 13 21.849 0.030 . . . . . . 27 V CG1 . 16779 1
261 . 1 1 27 27 VAL CG2 C 13 21.075 0.059 . . . . . . 27 V CG2 . 16779 1
262 . 1 1 27 27 VAL N N 15 124.981 0.050 . . . . . . 27 V N . 16779 1
263 . 1 1 28 28 LYS H H 1 9.178 0.007 . . . . . . 28 K HN . 16779 1
264 . 1 1 28 28 LYS HA H 1 3.721 0.007 . . . . . . 28 K HA . 16779 1
265 . 1 1 28 28 LYS HB2 H 1 1.914 0.004 . . . . . . 28 K HB2 . 16779 1
266 . 1 1 28 28 LYS HB3 H 1 2.129 0.003 . . . . . . 28 K HB3 . 16779 1
267 . 1 1 28 28 LYS HD2 H 1 1.743 0.007 . . . . . . 28 K HD2 . 16779 1
268 . 1 1 28 28 LYS HG2 H 1 1.467 0.004 . . . . . . 28 K HG2 . 16779 1
269 . 1 1 28 28 LYS HG3 H 1 1.521 0.004 . . . . . . 28 K HG3 . 16779 1
270 . 1 1 28 28 LYS C C 13 175.507 0.018 . . . . . . 28 K CO . 16779 1
271 . 1 1 28 28 LYS CA C 13 58.705 0.020 . . . . . . 28 K CA . 16779 1
272 . 1 1 28 28 LYS CB C 13 29.592 0.016 . . . . . . 28 K CB . 16779 1
273 . 1 1 28 28 LYS CD C 13 29.516 0.000 . . . . . . 28 K CD . 16779 1
274 . 1 1 28 28 LYS CE C 13 42.323 0.000 . . . . . . 28 K CE . 16779 1
275 . 1 1 28 28 LYS CG C 13 25.657 0.000 . . . . . . 28 K CG . 16779 1
276 . 1 1 28 28 LYS N N 15 124.349 0.025 . . . . . . 28 K N . 16779 1
277 . 1 1 29 29 ASP H H 1 8.831 0.005 . . . . . . 29 D HN . 16779 1
278 . 1 1 29 29 ASP HA H 1 4.620 0.003 . . . . . . 29 D HA . 16779 1
279 . 1 1 29 29 ASP HB2 H 1 2.654 0.005 . . . . . . 29 D HB2 . 16779 1
280 . 1 1 29 29 ASP HB3 H 1 2.915 0.003 . . . . . . 29 D HB3 . 16779 1
281 . 1 1 29 29 ASP C C 13 175.337 0.034 . . . . . . 29 D CO . 16779 1
282 . 1 1 29 29 ASP CA C 13 54.064 0.014 . . . . . . 29 D CA . 16779 1
283 . 1 1 29 29 ASP CB C 13 39.946 0.030 . . . . . . 29 D CB . 16779 1
284 . 1 1 29 29 ASP N N 15 121.681 0.032 . . . . . . 29 D N . 16779 1
285 . 1 1 30 30 LYS H H 1 8.643 0.004 . . . . . . 30 K HN . 16779 1
286 . 1 1 30 30 LYS HA H 1 4.473 0.005 . . . . . . 30 K HA . 16779 1
287 . 1 1 30 30 LYS HB2 H 1 1.486 0.007 . . . . . . 30 K HB2 . 16779 1
288 . 1 1 30 30 LYS HB3 H 1 2.148 0.008 . . . . . . 30 K HB3 . 16779 1
289 . 1 1 30 30 LYS HD2 H 1 2.812 0.000 . . . . . . 30 K HD2 . 16779 1
290 . 1 1 30 30 LYS HE2 H 1 3.068 0.011 . . . . . . 30 K HE2 . 16779 1
291 . 1 1 30 30 LYS HE3 H 1 2.999 0.001 . . . . . . 30 K HE3 . 16779 1
292 . 1 1 30 30 LYS HG2 H 1 1.560 0.004 . . . . . . 30 K HG2 . 16779 1
293 . 1 1 30 30 LYS HG3 H 1 1.645 0.003 . . . . . . 30 K HG3 . 16779 1
294 . 1 1 30 30 LYS C C 13 175.367 0.019 . . . . . . 30 K CO . 16779 1
295 . 1 1 30 30 LYS CA C 13 55.212 0.039 . . . . . . 30 K CA . 16779 1
296 . 1 1 30 30 LYS CB C 13 35.517 0.040 . . . . . . 30 K CB . 16779 1
297 . 1 1 30 30 LYS CD C 13 28.951 0.000 . . . . . . 30 K CD . 16779 1
298 . 1 1 30 30 LYS CE C 13 42.761 0.059 . . . . . . 30 K CE . 16779 1
299 . 1 1 30 30 LYS CG C 13 25.285 0.000 . . . . . . 30 K CG . 16779 1
300 . 1 1 30 30 LYS N N 15 121.462 0.028 . . . . . . 30 K N . 16779 1
301 . 1 1 31 31 VAL H H 1 8.495 0.003 . . . . . . 31 V HN . 16779 1
302 . 1 1 31 31 VAL HA H 1 4.850 0.003 . . . . . . 31 V HA . 16779 1
303 . 1 1 31 31 VAL HB H 1 1.769 0.006 . . . . . . 31 V HB . 16779 1
304 . 1 1 31 31 VAL HG11 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1
305 . 1 1 31 31 VAL HG12 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1
306 . 1 1 31 31 VAL HG13 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1
307 . 1 1 31 31 VAL C C 13 172.785 0.002 . . . . . . 31 V CO . 16779 1
308 . 1 1 31 31 VAL CA C 13 60.266 0.043 . . . . . . 31 V CA . 16779 1
309 . 1 1 31 31 VAL CB C 13 34.468 0.036 . . . . . . 31 V CB . 16779 1
310 . 1 1 31 31 VAL CG1 C 13 21.516 0.073 . . . . . . 31 V CG1 . 16779 1
311 . 1 1 31 31 VAL N N 15 119.935 0.022 . . . . . . 31 V N . 16779 1
312 . 1 1 32 32 TYR H H 1 8.486 0.006 . . . . . . 32 Y HN . 16779 1
313 . 1 1 32 32 TYR HA H 1 5.810 0.006 . . . . . . 32 Y HA . 16779 1
314 . 1 1 32 32 TYR HB2 H 1 2.582 0.004 . . . . . . 32 Y HB2 . 16779 1
315 . 1 1 32 32 TYR HB3 H 1 3.117 0.006 . . . . . . 32 Y HB3 . 16779 1
316 . 1 1 32 32 TYR HD1 H 1 6.976 0.003 . . . . . . 32 Y QD . 16779 1
317 . 1 1 32 32 TYR HD2 H 1 6.976 0.003 . . . . . . 32 Y QD . 16779 1
318 . 1 1 32 32 TYR HE1 H 1 6.623 0.007 . . . . . . 32 Y QE . 16779 1
319 . 1 1 32 32 TYR HE2 H 1 6.623 0.007 . . . . . . 32 Y QE . 16779 1
320 . 1 1 32 32 TYR C C 13 178.698 0.012 . . . . . . 32 Y CO . 16779 1
321 . 1 1 32 32 TYR CA C 13 56.004 0.028 . . . . . . 32 Y CA . 16779 1
322 . 1 1 32 32 TYR CB C 13 42.505 0.012 . . . . . . 32 Y CB . 16779 1
323 . 1 1 32 32 TYR CD1 C 13 133.041 0.057 . . . . . . 32 Y CD1 . 16779 1
324 . 1 1 32 32 TYR N N 15 120.804 0.082 . . . . . . 32 Y N . 16779 1
325 . 1 1 33 33 HIS H H 1 9.052 0.007 . . . . . . 33 H HN . 16779 1
326 . 1 1 33 33 HIS HA H 1 4.514 0.007 . . . . . . 33 H HA . 16779 1
327 . 1 1 33 33 HIS HB2 H 1 3.703 0.007 . . . . . . 33 H HB2 . 16779 1
328 . 1 1 33 33 HIS HB3 H 1 3.750 0.001 . . . . . . 33 H HB3 . 16779 1
329 . 1 1 33 33 HIS HD2 H 1 7.551 0.003 . . . . . . 33 H HD2 . 16779 1
330 . 1 1 33 33 HIS HE1 H 1 7.268 0.000 . . . . . . 33 H HE1 . 16779 1
331 . 1 1 33 33 HIS C C 13 178.343 0.029 . . . . . . 33 H CO . 16779 1
332 . 1 1 33 33 HIS CA C 13 60.047 0.008 . . . . . . 33 H CA . 16779 1
333 . 1 1 33 33 HIS CB C 13 31.035 0.037 . . . . . . 33 H CB . 16779 1
334 . 1 1 33 33 HIS N N 15 122.354 0.046 . . . . . . 33 H N . 16779 1
335 . 1 1 34 34 LEU H H 1 8.577 0.008 . . . . . . 34 L HN . 16779 1
336 . 1 1 34 34 LEU HA H 1 4.014 0.004 . . . . . . 34 L HA . 16779 1
337 . 1 1 34 34 LEU HB2 H 1 1.345 0.006 . . . . . . 34 L HB2 . 16779 1
338 . 1 1 34 34 LEU HB3 H 1 1.843 0.005 . . . . . . 34 L HB3 . 16779 1
339 . 1 1 34 34 LEU HD11 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1
340 . 1 1 34 34 LEU HD12 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1
341 . 1 1 34 34 LEU HD13 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1
342 . 1 1 34 34 LEU HD21 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1
343 . 1 1 34 34 LEU HD22 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1
344 . 1 1 34 34 LEU HD23 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1
345 . 1 1 34 34 LEU HG H 1 1.732 0.001 . . . . . . 34 L HG . 16779 1
346 . 1 1 34 34 LEU C C 13 180.380 0.011 . . . . . . 34 L CO . 16779 1
347 . 1 1 34 34 LEU CA C 13 59.422 0.041 . . . . . . 34 L CA . 16779 1
348 . 1 1 34 34 LEU CB C 13 41.457 0.036 . . . . . . 34 L CB . 16779 1
349 . 1 1 34 34 LEU CD1 C 13 24.510 0.000 . . . . . . 34 L CD1 . 16779 1
350 . 1 1 34 34 LEU CD2 C 13 24.157 0.032 . . . . . . 34 L CD2 . 16779 1
351 . 1 1 34 34 LEU CG C 13 27.136 0.000 . . . . . . 34 L CG . 16779 1
352 . 1 1 34 34 LEU N N 15 125.488 0.030 . . . . . . 34 L N . 16779 1
353 . 1 1 35 35 GLU H H 1 9.373 0.006 . . . . . . 35 E HN . 16779 1
354 . 1 1 35 35 GLU HA H 1 4.177 0.007 . . . . . . 35 E HA . 16779 1
355 . 1 1 35 35 GLU HB2 H 1 2.089 0.007 . . . . . . 35 E HB2 . 16779 1
356 . 1 1 35 35 GLU HB3 H 1 2.129 0.006 . . . . . . 35 E HB3 . 16779 1
357 . 1 1 35 35 GLU HG2 H 1 2.382 0.004 . . . . . . 35 E HG2 . 16779 1
358 . 1 1 35 35 GLU HG3 H 1 2.420 0.002 . . . . . . 35 E HG3 . 16779 1
359 . 1 1 35 35 GLU C C 13 177.672 0.011 . . . . . . 35 E CO . 16779 1
360 . 1 1 35 35 GLU CA C 13 58.704 0.017 . . . . . . 35 E CA . 16779 1
361 . 1 1 35 35 GLU CB C 13 29.318 0.034 . . . . . . 35 E CB . 16779 1
362 . 1 1 35 35 GLU CG C 13 36.476 0.076 . . . . . . 35 E CG . 16779 1
363 . 1 1 35 35 GLU N N 15 115.626 0.029 . . . . . . 35 E N . 16779 1
364 . 1 1 36 36 CYS H H 1 7.401 0.006 . . . . . . 36 C HN . 16779 1
365 . 1 1 36 36 CYS HA H 1 4.332 0.006 . . . . . . 36 C HA . 16779 1
366 . 1 1 36 36 CYS HB2 H 1 3.293 0.008 . . . . . . 36 C HB2 . 16779 1
367 . 1 1 36 36 CYS HB3 H 1 3.534 0.005 . . . . . . 36 C HB3 . 16779 1
368 . 1 1 36 36 CYS C C 13 174.090 0.007 . . . . . . 36 C CO . 16779 1
369 . 1 1 36 36 CYS CA C 13 60.638 0.018 . . . . . . 36 C CA . 16779 1
370 . 1 1 36 36 CYS CB C 13 30.944 0.023 . . . . . . 36 C CB . 16779 1
371 . 1 1 36 36 CYS N N 15 115.965 0.025 . . . . . . 36 C N . 16779 1
372 . 1 1 37 37 PHE H H 1 7.702 0.007 . . . . . . 37 F HN . 16779 1
373 . 1 1 37 37 PHE HA H 1 4.094 0.005 . . . . . . 37 F HA . 16779 1
374 . 1 1 37 37 PHE HB2 H 1 2.494 0.008 . . . . . . 37 F HB2 . 16779 1
375 . 1 1 37 37 PHE HB3 H 1 3.496 0.007 . . . . . . 37 F HB3 . 16779 1
376 . 1 1 37 37 PHE HD1 H 1 6.610 0.004 . . . . . . 37 F QD . 16779 1
377 . 1 1 37 37 PHE HD2 H 1 6.610 0.004 . . . . . . 37 F QD . 16779 1
378 . 1 1 37 37 PHE HE1 H 1 6.264 0.004 . . . . . . 37 F QE . 16779 1
379 . 1 1 37 37 PHE HE2 H 1 6.264 0.004 . . . . . . 37 F QE . 16779 1
380 . 1 1 37 37 PHE HZ H 1 5.643 0.002 . . . . . . 37 F HZ . 16779 1
381 . 1 1 37 37 PHE C C 13 171.230 0.022 . . . . . . 37 F CO . 16779 1
382 . 1 1 37 37 PHE CA C 13 58.215 0.009 . . . . . . 37 F CA . 16779 1
383 . 1 1 37 37 PHE CB C 13 37.492 0.038 . . . . . . 37 F CB . 16779 1
384 . 1 1 37 37 PHE N N 15 124.554 0.045 . . . . . . 37 F N . 16779 1
385 . 1 1 38 38 LYS H H 1 6.943 0.006 . . . . . . 38 K HN . 16779 1
386 . 1 1 38 38 LYS HA H 1 4.613 0.006 . . . . . . 38 K HA . 16779 1
387 . 1 1 38 38 LYS HB2 H 1 0.916 0.007 . . . . . . 38 K HB2 . 16779 1
388 . 1 1 38 38 LYS HB3 H 1 0.800 0.008 . . . . . . 38 K HB3 . 16779 1
389 . 1 1 38 38 LYS HD2 H 1 1.375 0.003 . . . . . . 38 K HD2 . 16779 1
390 . 1 1 38 38 LYS HD3 H 1 1.301 0.003 . . . . . . 38 K HD3 . 16779 1
391 . 1 1 38 38 LYS HE2 H 1 2.889 0.005 . . . . . . 38 K HE2 . 16779 1
392 . 1 1 38 38 LYS HG2 H 1 0.811 0.002 . . . . . . 38 K HG2 . 16779 1
393 . 1 1 38 38 LYS HG3 H 1 0.710 0.003 . . . . . . 38 K HG3 . 16779 1
394 . 1 1 38 38 LYS C C 13 173.473 0.019 . . . . . . 38 K CO . 16779 1
395 . 1 1 38 38 LYS CA C 13 53.357 0.020 . . . . . . 38 K CA . 16779 1
396 . 1 1 38 38 LYS CB C 13 35.210 0.047 . . . . . . 38 K CB . 16779 1
397 . 1 1 38 38 LYS CD C 13 29.656 0.022 . . . . . . 38 K CD . 16779 1
398 . 1 1 38 38 LYS CE C 13 42.428 0.050 . . . . . . 38 K CE . 16779 1
399 . 1 1 38 38 LYS CG C 13 22.945 0.000 . . . . . . 38 K CG . 16779 1
400 . 1 1 38 38 LYS N N 15 122.747 0.037 . . . . . . 38 K N . 16779 1
401 . 1 1 39 39 CYS H H 1 7.690 0.004 . . . . . . 39 C HN . 16779 1
402 . 1 1 39 39 CYS HA H 1 4.144 0.004 . . . . . . 39 C HA . 16779 1
403 . 1 1 39 39 CYS HB2 H 1 2.392 0.004 . . . . . . 39 C HB2 . 16779 1
404 . 1 1 39 39 CYS HB3 H 1 3.068 0.006 . . . . . . 39 C HB3 . 16779 1
405 . 1 1 39 39 CYS C C 13 176.932 0.002 . . . . . . 39 C CO . 16779 1
406 . 1 1 39 39 CYS CA C 13 58.820 0.014 . . . . . . 39 C CA . 16779 1
407 . 1 1 39 39 CYS CB C 13 30.914 0.018 . . . . . . 39 C CB . 16779 1
408 . 1 1 39 39 CYS N N 15 122.269 0.034 . . . . . . 39 C N . 16779 1
409 . 1 1 40 40 ALA H H 1 9.567 0.007 . . . . . . 40 A HN . 16779 1
410 . 1 1 40 40 ALA HA H 1 4.010 0.004 . . . . . . 40 A HA . 16779 1
411 . 1 1 40 40 ALA HB1 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1
412 . 1 1 40 40 ALA HB2 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1
413 . 1 1 40 40 ALA HB3 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1
414 . 1 1 40 40 ALA C C 13 177.238 0.056 . . . . . . 40 A CO . 16779 1
415 . 1 1 40 40 ALA CA C 13 54.554 0.062 . . . . . . 40 A CA . 16779 1
416 . 1 1 40 40 ALA CB C 13 19.347 0.033 . . . . . . 40 A CB . 16779 1
417 . 1 1 40 40 ALA N N 15 133.304 0.057 . . . . . . 40 A N . 16779 1
418 . 1 1 41 41 ALA H H 1 8.910 0.006 . . . . . . 41 A HN . 16779 1
419 . 1 1 41 41 ALA HA H 1 4.544 0.002 . . . . . . 41 A HA . 16779 1
420 . 1 1 41 41 ALA HB1 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1
421 . 1 1 41 41 ALA HB2 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1
422 . 1 1 41 41 ALA HB3 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1
423 . 1 1 41 41 ALA C C 13 178.171 0.010 . . . . . . 41 A CO . 16779 1
424 . 1 1 41 41 ALA CA C 13 53.797 0.007 . . . . . . 41 A CA . 16779 1
425 . 1 1 41 41 ALA CB C 13 20.208 0.030 . . . . . . 41 A CB . 16779 1
426 . 1 1 41 41 ALA N N 15 121.826 0.023 . . . . . . 41 A N . 16779 1
427 . 1 1 42 42 CYS H H 1 8.076 0.007 . . . . . . 42 C HN . 16779 1
428 . 1 1 42 42 CYS HA H 1 4.844 0.006 . . . . . . 42 C HA . 16779 1
429 . 1 1 42 42 CYS HB2 H 1 3.115 0.005 . . . . . . 42 C HB2 . 16779 1
430 . 1 1 42 42 CYS HB3 H 1 3.283 0.003 . . . . . . 42 C HB3 . 16779 1
431 . 1 1 42 42 CYS C C 13 176.512 0.006 . . . . . . 42 C CO . 16779 1
432 . 1 1 42 42 CYS CA C 13 59.081 0.027 . . . . . . 42 C CA . 16779 1
433 . 1 1 42 42 CYS CB C 13 30.879 0.021 . . . . . . 42 C CB . 16779 1
434 . 1 1 42 42 CYS N N 15 117.205 0.032 . . . . . . 42 C N . 16779 1
435 . 1 1 43 43 GLN H H 1 7.774 0.006 . . . . . . 43 Q HN . 16779 1
436 . 1 1 43 43 GLN HA H 1 3.978 0.005 . . . . . . 43 Q HA . 16779 1
437 . 1 1 43 43 GLN HB2 H 1 2.249 0.007 . . . . . . 43 Q HB2 . 16779 1
438 . 1 1 43 43 GLN HB3 H 1 2.372 0.008 . . . . . . 43 Q HB3 . 16779 1
439 . 1 1 43 43 GLN HE21 H 1 7.082 0.009 . . . . . . 43 Q HE21 . 16779 1
440 . 1 1 43 43 GLN HE22 H 1 6.671 0.008 . . . . . . 43 Q HE22 . 16779 1
441 . 1 1 43 43 GLN HG2 H 1 2.100 0.004 . . . . . . 43 Q HG2 . 16779 1
442 . 1 1 43 43 GLN HG3 H 1 2.231 0.000 . . . . . . 43 Q HG3 . 16779 1
443 . 1 1 43 43 GLN C C 13 174.340 0.018 . . . . . . 43 Q CO . 16779 1
444 . 1 1 43 43 GLN CA C 13 57.473 0.017 . . . . . . 43 Q CA . 16779 1
445 . 1 1 43 43 GLN CB C 13 25.698 0.053 . . . . . . 43 Q CB . 16779 1
446 . 1 1 43 43 GLN CG C 13 33.879 0.049 . . . . . . 43 Q CG . 16779 1
447 . 1 1 43 43 GLN N N 15 115.811 0.042 . . . . . . 43 Q N . 16779 1
448 . 1 1 43 43 GLN NE2 N 15 113.741 0.022 . . . . . . 43 Q NE2 . 16779 1
449 . 1 1 44 44 LYS H H 1 8.131 0.004 . . . . . . 44 K HN . 16779 1
450 . 1 1 44 44 LYS HA H 1 4.171 0.005 . . . . . . 44 K HA . 16779 1
451 . 1 1 44 44 LYS HB2 H 1 1.684 0.002 . . . . . . 44 K HB2 . 16779 1
452 . 1 1 44 44 LYS HB3 H 1 1.821 0.005 . . . . . . 44 K HB3 . 16779 1
453 . 1 1 44 44 LYS HD2 H 1 1.493 0.004 . . . . . . 44 K HD2 . 16779 1
454 . 1 1 44 44 LYS HD3 H 1 1.442 0.004 . . . . . . 44 K HD3 . 16779 1
455 . 1 1 44 44 LYS HE2 H 1 2.731 0.001 . . . . . . 44 K HE2 . 16779 1
456 . 1 1 44 44 LYS HG2 H 1 0.938 0.005 . . . . . . 44 K HG2 . 16779 1
457 . 1 1 44 44 LYS HG3 H 1 0.504 0.009 . . . . . . 44 K HG3 . 16779 1
458 . 1 1 44 44 LYS C C 13 175.843 0.013 . . . . . . 44 K CO . 16779 1
459 . 1 1 44 44 LYS CA C 13 57.260 0.043 . . . . . . 44 K CA . 16779 1
460 . 1 1 44 44 LYS CB C 13 32.206 0.032 . . . . . . 44 K CB . 16779 1
461 . 1 1 44 44 LYS CD C 13 29.355 0.033 . . . . . . 44 K CD . 16779 1
462 . 1 1 44 44 LYS CG C 13 24.237 0.017 . . . . . . 44 K CG . 16779 1
463 . 1 1 44 44 LYS N N 15 120.466 0.036 . . . . . . 44 K N . 16779 1
464 . 1 1 45 45 HIS H H 1 8.341 0.008 . . . . . . 45 H HN . 16779 1
465 . 1 1 45 45 HIS HA H 1 4.457 0.009 . . . . . . 45 H HA . 16779 1
466 . 1 1 45 45 HIS HB2 H 1 2.991 0.007 . . . . . . 45 H HB2 . 16779 1
467 . 1 1 45 45 HIS HB3 H 1 3.421 0.006 . . . . . . 45 H HB3 . 16779 1
468 . 1 1 45 45 HIS HD2 H 1 7.320 0.010 . . . . . . 45 H HD2 . 16779 1
469 . 1 1 45 45 HIS HE1 H 1 7.069 0.002 . . . . . . 45 H HE1 . 16779 1
470 . 1 1 45 45 HIS C C 13 174.587 0.016 . . . . . . 45 H CO . 16779 1
471 . 1 1 45 45 HIS CA C 13 56.151 0.067 . . . . . . 45 H CA . 16779 1
472 . 1 1 45 45 HIS CB C 13 29.335 0.125 . . . . . . 45 H CB . 16779 1
473 . 1 1 45 45 HIS N N 15 118.929 0.070 . . . . . . 45 H N . 16779 1
474 . 1 1 45 45 HIS ND1 N 15 171.102 0.010 . . . . . . 45 H ND1 . 16779 1
475 . 1 1 45 45 HIS NE2 N 15 223.047 0.003 . . . . . . 45 H NE2 . 16779 1
476 . 1 1 46 46 PHE H H 1 8.593 0.008 . . . . . . 46 F HN . 16779 1
477 . 1 1 46 46 PHE HA H 1 4.628 0.006 . . . . . . 46 F HA . 16779 1
478 . 1 1 46 46 PHE HB2 H 1 2.768 0.008 . . . . . . 46 F HB2 . 16779 1
479 . 1 1 46 46 PHE HB3 H 1 3.200 0.005 . . . . . . 46 F HB3 . 16779 1
480 . 1 1 46 46 PHE HD1 H 1 6.938 0.004 . . . . . . 46 F QD . 16779 1
481 . 1 1 46 46 PHE HD2 H 1 6.938 0.004 . . . . . . 46 F QD . 16779 1
482 . 1 1 46 46 PHE HE1 H 1 6.603 0.003 . . . . . . 46 F QE . 16779 1
483 . 1 1 46 46 PHE HE2 H 1 6.603 0.003 . . . . . . 46 F QE . 16779 1
484 . 1 1 46 46 PHE HZ H 1 6.425 0.005 . . . . . . 46 F HZ . 16779 1
485 . 1 1 46 46 PHE C C 13 176.022 0.041 . . . . . . 46 F CO . 16779 1
486 . 1 1 46 46 PHE CA C 13 58.741 0.014 . . . . . . 46 F CA . 16779 1
487 . 1 1 46 46 PHE CB C 13 42.864 0.047 . . . . . . 46 F CB . 16779 1
488 . 1 1 46 46 PHE N N 15 120.290 0.039 . . . . . . 46 F N . 16779 1
489 . 1 1 47 47 SER H H 1 9.153 0.006 . . . . . . 47 S HN . 16779 1
490 . 1 1 47 47 SER HA H 1 4.812 0.004 . . . . . . 47 S HA . 16779 1
491 . 1 1 47 47 SER HB2 H 1 3.718 0.009 . . . . . . 47 S HB2 . 16779 1
492 . 1 1 47 47 SER HB3 H 1 3.913 0.006 . . . . . . 47 S HB3 . 16779 1
493 . 1 1 47 47 SER C C 13 173.352 0.011 . . . . . . 47 S CO . 16779 1
494 . 1 1 47 47 SER CA C 13 56.936 0.016 . . . . . . 47 S CA . 16779 1
495 . 1 1 47 47 SER CB C 13 65.103 0.023 . . . . . . 47 S CB . 16779 1
496 . 1 1 47 47 SER N N 15 118.661 0.044 . . . . . . 47 S N . 16779 1
497 . 1 1 48 48 VAL H H 1 8.389 0.006 . . . . . . 48 V HN . 16779 1
498 . 1 1 48 48 VAL HA H 1 3.410 0.004 . . . . . . 48 V HA . 16779 1
499 . 1 1 48 48 VAL HB H 1 1.918 0.005 . . . . . . 48 V HB . 16779 1
500 . 1 1 48 48 VAL HG11 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1
501 . 1 1 48 48 VAL HG12 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1
502 . 1 1 48 48 VAL HG13 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1
503 . 1 1 48 48 VAL HG21 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1
504 . 1 1 48 48 VAL HG22 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1
505 . 1 1 48 48 VAL HG23 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1
506 . 1 1 48 48 VAL C C 13 177.623 0.002 . . . . . . 48 V CO . 16779 1
507 . 1 1 48 48 VAL CA C 13 65.153 0.024 . . . . . . 48 V CA . 16779 1
508 . 1 1 48 48 VAL CB C 13 31.432 0.047 . . . . . . 48 V CB . 16779 1
509 . 1 1 48 48 VAL CG1 C 13 21.983 0.051 . . . . . . 48 V CG1 . 16779 1
510 . 1 1 48 48 VAL CG2 C 13 20.707 0.062 . . . . . . 48 V CG2 . 16779 1
511 . 1 1 48 48 VAL N N 15 123.300 0.040 . . . . . . 48 V N . 16779 1
512 . 1 1 49 49 GLY H H 1 9.014 0.006 . . . . . . 49 G HN . 16779 1
513 . 1 1 49 49 GLY HA2 H 1 4.545 0.006 . . . . . . 49 G HA1 . 16779 1
514 . 1 1 49 49 GLY HA3 H 1 3.502 0.007 . . . . . . 49 G HA2 . 16779 1
515 . 1 1 49 49 GLY C C 13 174.594 0.000 . . . . . . 49 G CO . 16779 1
516 . 1 1 49 49 GLY CA C 13 44.891 0.030 . . . . . . 49 G CA . 16779 1
517 . 1 1 49 49 GLY N N 15 116.414 0.035 . . . . . . 49 G N . 16779 1
518 . 1 1 50 50 ASP H H 1 8.179 0.004 . . . . . . 50 D HN . 16779 1
519 . 1 1 50 50 ASP HA H 1 4.730 0.003 . . . . . . 50 D HA . 16779 1
520 . 1 1 50 50 ASP HB2 H 1 3.088 0.001 . . . . . . 50 D HB2 . 16779 1
521 . 1 1 50 50 ASP HB3 H 1 3.169 0.006 . . . . . . 50 D HB3 . 16779 1
522 . 1 1 50 50 ASP C C 13 175.276 0.005 . . . . . . 50 D CO . 16779 1
523 . 1 1 50 50 ASP CA C 13 55.252 0.009 . . . . . . 50 D CA . 16779 1
524 . 1 1 50 50 ASP CB C 13 42.496 0.048 . . . . . . 50 D CB . 16779 1
525 . 1 1 50 50 ASP N N 15 121.856 0.025 . . . . . . 50 D N . 16779 1
526 . 1 1 51 51 ARG H H 1 8.552 0.004 . . . . . . 51 R HN . 16779 1
527 . 1 1 51 51 ARG HA H 1 5.572 0.005 . . . . . . 51 R HA . 16779 1
528 . 1 1 51 51 ARG HB2 H 1 1.628 0.007 . . . . . . 51 R HB2 . 16779 1
529 . 1 1 51 51 ARG HB3 H 1 1.717 0.004 . . . . . . 51 R HB3 . 16779 1
530 . 1 1 51 51 ARG HD2 H 1 3.192 0.005 . . . . . . 51 R HD2 . 16779 1
531 . 1 1 51 51 ARG HD3 H 1 3.243 0.008 . . . . . . 51 R HD3 . 16779 1
532 . 1 1 51 51 ARG HE H 1 7.813 0.003 . . . . . . 51 R HE . 16779 1
533 . 1 1 51 51 ARG HG2 H 1 1.718 0.003 . . . . . . 51 R HG2 . 16779 1
534 . 1 1 51 51 ARG HG3 H 1 1.552 0.002 . . . . . . 51 R HG3 . 16779 1
535 . 1 1 51 51 ARG C C 13 176.472 0.011 . . . . . . 51 R CO . 16779 1
536 . 1 1 51 51 ARG CA C 13 55.204 0.048 . . . . . . 51 R CA . 16779 1
537 . 1 1 51 51 ARG CB C 13 32.816 0.039 . . . . . . 51 R CB . 16779 1
538 . 1 1 51 51 ARG CD C 13 43.412 0.060 . . . . . . 51 R CD . 16779 1
539 . 1 1 51 51 ARG CG C 13 28.329 0.027 . . . . . . 51 R CG . 16779 1
540 . 1 1 51 51 ARG N N 15 118.860 0.027 . . . . . . 51 R N . 16779 1
541 . 1 1 51 51 ARG NE N 15 113.521 0.023 . . . . . . 51 R NE . 16779 1
542 . 1 1 52 52 TYR H H 1 8.833 0.003 . . . . . . 52 Y HN . 16779 1
543 . 1 1 52 52 TYR HA H 1 4.925 0.009 . . . . . . 52 Y HA . 16779 1
544 . 1 1 52 52 TYR HB2 H 1 2.218 0.006 . . . . . . 52 Y HB2 . 16779 1
545 . 1 1 52 52 TYR HB3 H 1 2.285 0.010 . . . . . . 52 Y HB3 . 16779 1
546 . 1 1 52 52 TYR HD1 H 1 6.385 0.006 . . . . . . 52 Y QD . 16779 1
547 . 1 1 52 52 TYR HD2 H 1 6.385 0.006 . . . . . . 52 Y QD . 16779 1
548 . 1 1 52 52 TYR HE1 H 1 6.174 0.004 . . . . . . 52 Y QE . 16779 1
549 . 1 1 52 52 TYR HE2 H 1 6.174 0.004 . . . . . . 52 Y QE . 16779 1
550 . 1 1 52 52 TYR C C 13 170.431 0.005 . . . . . . 52 Y CO . 16779 1
551 . 1 1 52 52 TYR CA C 13 56.141 0.027 . . . . . . 52 Y CA . 16779 1
552 . 1 1 52 52 TYR CB C 13 41.354 0.081 . . . . . . 52 Y CB . 16779 1
553 . 1 1 52 52 TYR N N 15 120.090 0.037 . . . . . . 52 Y N . 16779 1
554 . 1 1 53 53 LEU H H 1 9.173 0.006 . . . . . . 53 L HN . 16779 1
555 . 1 1 53 53 LEU HA H 1 4.536 0.004 . . . . . . 53 L HA . 16779 1
556 . 1 1 53 53 LEU HB2 H 1 1.257 0.006 . . . . . . 53 L HB2 . 16779 1
557 . 1 1 53 53 LEU HB3 H 1 1.542 0.007 . . . . . . 53 L HB3 . 16779 1
558 . 1 1 53 53 LEU HD11 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1
559 . 1 1 53 53 LEU HD12 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1
560 . 1 1 53 53 LEU HD13 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1
561 . 1 1 53 53 LEU HD21 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1
562 . 1 1 53 53 LEU HD22 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1
563 . 1 1 53 53 LEU HD23 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1
564 . 1 1 53 53 LEU HG H 1 1.488 0.009 . . . . . . 53 L HG . 16779 1
565 . 1 1 53 53 LEU C C 13 174.506 0.005 . . . . . . 53 L CO . 16779 1
566 . 1 1 53 53 LEU CA C 13 53.659 0.025 . . . . . . 53 L CA . 16779 1
567 . 1 1 53 53 LEU CB C 13 46.097 0.023 . . . . . . 53 L CB . 16779 1
568 . 1 1 53 53 LEU CD1 C 13 26.076 0.039 . . . . . . 53 L CD1 . 16779 1
569 . 1 1 53 53 LEU CD2 C 13 24.293 0.059 . . . . . . 53 L CD2 . 16779 1
570 . 1 1 53 53 LEU CG C 13 28.046 0.000 . . . . . . 53 L CG . 16779 1
571 . 1 1 53 53 LEU N N 15 120.244 0.026 . . . . . . 53 L N . 16779 1
572 . 1 1 54 54 LEU H H 1 8.047 0.004 . . . . . . 54 L HN . 16779 1
573 . 1 1 54 54 LEU HA H 1 5.147 0.006 . . . . . . 54 L HA . 16779 1
574 . 1 1 54 54 LEU HB2 H 1 1.258 0.005 . . . . . . 54 L HB2 . 16779 1
575 . 1 1 54 54 LEU HB3 H 1 1.784 0.004 . . . . . . 54 L HB3 . 16779 1
576 . 1 1 54 54 LEU HD11 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1
577 . 1 1 54 54 LEU HD12 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1
578 . 1 1 54 54 LEU HD13 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1
579 . 1 1 54 54 LEU HD21 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1
580 . 1 1 54 54 LEU HD22 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1
581 . 1 1 54 54 LEU HD23 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1
582 . 1 1 54 54 LEU HG H 1 1.452 0.008 . . . . . . 54 L HG . 16779 1
583 . 1 1 54 54 LEU C C 13 176.120 0.007 . . . . . . 54 L CO . 16779 1
584 . 1 1 54 54 LEU CA C 13 53.667 0.017 . . . . . . 54 L CA . 16779 1
585 . 1 1 54 54 LEU CB C 13 43.866 0.047 . . . . . . 54 L CB . 16779 1
586 . 1 1 54 54 LEU CD1 C 13 26.374 0.043 . . . . . . 54 L CD1 . 16779 1
587 . 1 1 54 54 LEU CD2 C 13 24.339 0.029 . . . . . . 54 L CD2 . 16779 1
588 . 1 1 54 54 LEU CG C 13 27.809 0.098 . . . . . . 54 L CG . 16779 1
589 . 1 1 54 54 LEU N N 15 124.588 0.031 . . . . . . 54 L N . 16779 1
590 . 1 1 55 55 ILE H H 1 9.090 0.006 . . . . . . 55 I HN . 16779 1
591 . 1 1 55 55 ILE HA H 1 4.341 0.005 . . . . . . 55 I HA . 16779 1
592 . 1 1 55 55 ILE HB H 1 1.733 0.005 . . . . . . 55 I HB . 16779 1
593 . 1 1 55 55 ILE HD11 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1
594 . 1 1 55 55 ILE HD12 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1
595 . 1 1 55 55 ILE HD13 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1
596 . 1 1 55 55 ILE HG12 H 1 1.343 0.005 . . . . . . 55 I HG12 . 16779 1
597 . 1 1 55 55 ILE HG13 H 1 1.074 0.006 . . . . . . 55 I HG13 . 16779 1
598 . 1 1 55 55 ILE HG21 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1
599 . 1 1 55 55 ILE HG22 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1
600 . 1 1 55 55 ILE HG23 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1
601 . 1 1 55 55 ILE C C 13 175.921 0.023 . . . . . . 55 I CO . 16779 1
602 . 1 1 55 55 ILE CA C 13 59.794 0.017 . . . . . . 55 I CA . 16779 1
603 . 1 1 55 55 ILE CB C 13 38.822 0.033 . . . . . . 55 I CB . 16779 1
604 . 1 1 55 55 ILE CD1 C 13 13.827 0.065 . . . . . . 55 I CD1 . 16779 1
605 . 1 1 55 55 ILE CG1 C 13 27.367 0.043 . . . . . . 55 I CG1 . 16779 1
606 . 1 1 55 55 ILE CG2 C 13 17.471 0.067 . . . . . . 55 I CG2 . 16779 1
607 . 1 1 55 55 ILE N N 15 128.180 0.044 . . . . . . 55 I N . 16779 1
608 . 1 1 56 56 ASN H H 1 9.308 0.005 . . . . . . 56 N HN . 16779 1
609 . 1 1 56 56 ASN HA H 1 4.239 0.009 . . . . . . 56 N HA . 16779 1
610 . 1 1 56 56 ASN HB2 H 1 3.095 0.008 . . . . . . 56 N HB2 . 16779 1
611 . 1 1 56 56 ASN HB3 H 1 3.392 0.012 . . . . . . 56 N HB3 . 16779 1
612 . 1 1 56 56 ASN HD21 H 1 7.945 0.006 . . . . . . 56 N HD21 . 16779 1
613 . 1 1 56 56 ASN HD22 H 1 7.048 0.005 . . . . . . 56 N HD22 . 16779 1
614 . 1 1 56 56 ASN C C 13 174.336 0.006 . . . . . . 56 N CO . 16779 1
615 . 1 1 56 56 ASN CA C 13 56.275 0.066 . . . . . . 56 N CA . 16779 1
616 . 1 1 56 56 ASN CB C 13 36.846 0.053 . . . . . . 56 N CB . 16779 1
617 . 1 1 56 56 ASN N N 15 126.373 0.034 . . . . . . 56 N N . 16779 1
618 . 1 1 56 56 ASN ND2 N 15 115.047 0.027 . . . . . . 56 N ND2 . 16779 1
619 . 1 1 57 57 SER H H 1 8.538 0.004 . . . . . . 57 S HN . 16779 1
620 . 1 1 57 57 SER HA H 1 4.598 0.011 . . . . . . 57 S HA . 16779 1
621 . 1 1 57 57 SER HB2 H 1 4.099 0.007 . . . . . . 57 S HB2 . 16779 1
622 . 1 1 57 57 SER HB3 H 1 4.048 0.003 . . . . . . 57 S HB3 . 16779 1
623 . 1 1 57 57 SER C C 13 174.107 0.112 . . . . . . 57 S CO . 16779 1
624 . 1 1 57 57 SER CA C 13 59.058 0.010 . . . . . . 57 S CA . 16779 1
625 . 1 1 57 57 SER CB C 13 63.916 0.034 . . . . . . 57 S CB . 16779 1
626 . 1 1 57 57 SER N N 15 115.833 0.042 . . . . . . 57 S N . 16779 1
627 . 1 1 58 58 ASP H H 1 8.572 0.004 . . . . . . 58 D HN . 16779 1
628 . 1 1 58 58 ASP HA H 1 4.880 0.009 . . . . . . 58 D HA . 16779 1
629 . 1 1 58 58 ASP HB2 H 1 2.836 0.004 . . . . . . 58 D HB2 . 16779 1
630 . 1 1 58 58 ASP HB3 H 1 2.112 0.007 . . . . . . 58 D HB3 . 16779 1
631 . 1 1 58 58 ASP C C 13 173.207 0.006 . . . . . . 58 D CO . 16779 1
632 . 1 1 58 58 ASP CA C 13 54.750 0.029 . . . . . . 58 D CA . 16779 1
633 . 1 1 58 58 ASP CB C 13 43.018 0.052 . . . . . . 58 D CB . 16779 1
634 . 1 1 58 58 ASP N N 15 124.249 0.037 . . . . . . 58 D N . 16779 1
635 . 1 1 59 59 ILE H H 1 8.197 0.004 . . . . . . 59 I HN . 16779 1
636 . 1 1 59 59 ILE HA H 1 4.485 0.034 . . . . . . 59 I HA . 16779 1
637 . 1 1 59 59 ILE HB H 1 1.534 0.005 . . . . . . 59 I HB . 16779 1
638 . 1 1 59 59 ILE HD11 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1
639 . 1 1 59 59 ILE HD12 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1
640 . 1 1 59 59 ILE HD13 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1
641 . 1 1 59 59 ILE HG12 H 1 1.031 0.006 . . . . . . 59 I HG12 . 16779 1
642 . 1 1 59 59 ILE HG13 H 1 0.805 0.010 . . . . . . 59 I HG13 . 16779 1
643 . 1 1 59 59 ILE HG21 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1
644 . 1 1 59 59 ILE HG22 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1
645 . 1 1 59 59 ILE HG23 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1
646 . 1 1 59 59 ILE C C 13 174.827 0.000 . . . . . . 59 I CO . 16779 1
647 . 1 1 59 59 ILE CA C 13 59.305 0.030 . . . . . . 59 I CA . 16779 1
648 . 1 1 59 59 ILE CB C 13 37.838 0.042 . . . . . . 59 I CB . 16779 1
649 . 1 1 59 59 ILE CD1 C 13 13.579 0.111 . . . . . . 59 I CD1 . 16779 1
650 . 1 1 59 59 ILE CG1 C 13 25.950 0.000 . . . . . . 59 I CG1 . 16779 1
651 . 1 1 59 59 ILE CG2 C 13 18.767 0.047 . . . . . . 59 I CG2 . 16779 1
652 . 1 1 59 59 ILE N N 15 122.247 0.049 . . . . . . 59 I N . 16779 1
653 . 1 1 60 60 VAL H H 1 8.781 0.005 . . . . . . 60 V HN . 16779 1
654 . 1 1 60 60 VAL HA H 1 5.010 0.008 . . . . . . 60 V HA . 16779 1
655 . 1 1 60 60 VAL HB H 1 1.554 0.005 . . . . . . 60 V HB . 16779 1
656 . 1 1 60 60 VAL HG11 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1
657 . 1 1 60 60 VAL HG12 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1
658 . 1 1 60 60 VAL HG13 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1
659 . 1 1 60 60 VAL HG21 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1
660 . 1 1 60 60 VAL HG22 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1
661 . 1 1 60 60 VAL HG23 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1
662 . 1 1 60 60 VAL C C 13 175.485 0.024 . . . . . . 60 V CO . 16779 1
663 . 1 1 60 60 VAL CA C 13 60.133 0.015 . . . . . . 60 V CA . 16779 1
664 . 1 1 60 60 VAL CB C 13 35.292 0.021 . . . . . . 60 V CB . 16779 1
665 . 1 1 60 60 VAL CG1 C 13 21.892 0.000 . . . . . . 60 V CG1 . 16779 1
666 . 1 1 60 60 VAL CG2 C 13 19.925 0.050 . . . . . . 60 V CG2 . 16779 1
667 . 1 1 60 60 VAL N N 15 125.708 0.044 . . . . . . 60 V N . 16779 1
668 . 1 1 61 61 CYS H H 1 10.033 0.005 . . . . . . 61 C HN . 16779 1
669 . 1 1 61 61 CYS HA H 1 4.893 0.008 . . . . . . 61 C HA . 16779 1
670 . 1 1 61 61 CYS HB2 H 1 3.792 0.004 . . . . . . 61 C HB2 . 16779 1
671 . 1 1 61 61 CYS HB3 H 1 2.937 0.006 . . . . . . 61 C HB3 . 16779 1
672 . 1 1 61 61 CYS C C 13 175.092 0.029 . . . . . . 61 C CO . 16779 1
673 . 1 1 61 61 CYS CA C 13 58.397 0.024 . . . . . . 61 C CA . 16779 1
674 . 1 1 61 61 CYS CB C 13 30.453 0.014 . . . . . . 61 C CB . 16779 1
675 . 1 1 61 61 CYS N N 15 129.142 0.028 . . . . . . 61 C N . 16779 1
676 . 1 1 62 62 GLU H H 1 7.891 0.007 . . . . . . 62 E HN . 16779 1
677 . 1 1 62 62 GLU HA H 1 3.826 0.004 . . . . . . 62 E HA . 16779 1
678 . 1 1 62 62 GLU HB2 H 1 1.872 0.007 . . . . . . 62 E HB2 . 16779 1
679 . 1 1 62 62 GLU HB3 H 1 2.064 0.003 . . . . . . 62 E HB3 . 16779 1
680 . 1 1 62 62 GLU HG2 H 1 2.210 0.004 . . . . . . 62 E HG2 . 16779 1
681 . 1 1 62 62 GLU HG3 H 1 2.282 0.007 . . . . . . 62 E HG3 . 16779 1
682 . 1 1 62 62 GLU C C 13 178.061 0.027 . . . . . . 62 E CO . 16779 1
683 . 1 1 62 62 GLU CA C 13 59.585 0.012 . . . . . . 62 E CA . 16779 1
684 . 1 1 62 62 GLU CB C 13 30.247 0.061 . . . . . . 62 E CB . 16779 1
685 . 1 1 62 62 GLU CG C 13 36.532 0.004 . . . . . . 62 E CG . 16779 1
686 . 1 1 62 62 GLU N N 15 119.035 0.039 . . . . . . 62 E N . 16779 1
687 . 1 1 63 63 GLN H H 1 8.317 0.004 . . . . . . 63 Q HN . 16779 1
688 . 1 1 63 63 GLN HA H 1 4.175 0.003 . . . . . . 63 Q HA . 16779 1
689 . 1 1 63 63 GLN HB2 H 1 2.138 0.004 . . . . . . 63 Q HB2 . 16779 1
690 . 1 1 63 63 GLN HB3 H 1 2.271 0.006 . . . . . . 63 Q HB3 . 16779 1
691 . 1 1 63 63 GLN HE21 H 1 7.652 0.004 . . . . . . 63 Q HE21 . 16779 1
692 . 1 1 63 63 GLN HE22 H 1 6.906 0.006 . . . . . . 63 Q HE22 . 16779 1
693 . 1 1 63 63 GLN HG2 H 1 2.437 0.007 . . . . . . 63 Q HG2 . 16779 1
694 . 1 1 63 63 GLN HG3 H 1 2.556 0.005 . . . . . . 63 Q HG3 . 16779 1
695 . 1 1 63 63 GLN C C 13 177.024 0.001 . . . . . . 63 Q CO . 16779 1
696 . 1 1 63 63 GLN CA C 13 58.851 0.028 . . . . . . 63 Q CA . 16779 1
697 . 1 1 63 63 GLN CB C 13 28.650 0.043 . . . . . . 63 Q CB . 16779 1
698 . 1 1 63 63 GLN CG C 13 34.784 0.027 . . . . . . 63 Q CG . 16779 1
699 . 1 1 63 63 GLN N N 15 117.349 0.036 . . . . . . 63 Q N . 16779 1
700 . 1 1 63 63 GLN NE2 N 15 113.063 0.050 . . . . . . 63 Q NE2 . 16779 1
701 . 1 1 64 64 ASP H H 1 8.063 0.006 . . . . . . 64 D HN . 16779 1
702 . 1 1 64 64 ASP HA H 1 5.113 0.006 . . . . . . 64 D HA . 16779 1
703 . 1 1 64 64 ASP HB2 H 1 2.792 0.005 . . . . . . 64 D HB2 . 16779 1
704 . 1 1 64 64 ASP HB3 H 1 2.933 0.004 . . . . . . 64 D HB3 . 16779 1
705 . 1 1 64 64 ASP C C 13 176.589 0.117 . . . . . . 64 D CO . 16779 1
706 . 1 1 64 64 ASP CA C 13 55.529 0.045 . . . . . . 64 D CA . 16779 1
707 . 1 1 64 64 ASP CB C 13 43.477 0.026 . . . . . . 64 D CB . 16779 1
708 . 1 1 64 64 ASP N N 15 119.286 0.026 . . . . . . 64 D N . 16779 1
709 . 1 1 65 65 ILE H H 1 7.395 0.004 . . . . . . 65 I HN . 16779 1
710 . 1 1 65 65 ILE HA H 1 3.707 0.007 . . . . . . 65 I HA . 16779 1
711 . 1 1 65 65 ILE HB H 1 1.776 0.007 . . . . . . 65 I HB . 16779 1
712 . 1 1 65 65 ILE HD11 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1
713 . 1 1 65 65 ILE HD12 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1
714 . 1 1 65 65 ILE HD13 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1
715 . 1 1 65 65 ILE HG21 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1
716 . 1 1 65 65 ILE HG22 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1
717 . 1 1 65 65 ILE HG23 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1
718 . 1 1 65 65 ILE C C 13 177.419 0.007 . . . . . . 65 I CO . 16779 1
719 . 1 1 65 65 ILE CA C 13 65.520 0.017 . . . . . . 65 I CA . 16779 1
720 . 1 1 65 65 ILE CB C 13 38.526 0.034 . . . . . . 65 I CB . 16779 1
721 . 1 1 65 65 ILE CD1 C 13 14.994 0.064 . . . . . . 65 I CD1 . 16779 1
722 . 1 1 65 65 ILE CG1 C 13 28.513 0.000 . . . . . . 65 I CG1 . 16779 1
723 . 1 1 65 65 ILE CG2 C 13 17.689 0.000 . . . . . . 65 I CG2 . 16779 1
724 . 1 1 65 65 ILE N N 15 120.768 0.034 . . . . . . 65 I N . 16779 1
725 . 1 1 66 66 TYR H H 1 8.585 0.003 . . . . . . 66 Y HN . 16779 1
726 . 1 1 66 66 TYR HA H 1 4.217 0.006 . . . . . . 66 Y HA . 16779 1
727 . 1 1 66 66 TYR HB2 H 1 3.156 0.005 . . . . . . 66 Y HB2 . 16779 1
728 . 1 1 66 66 TYR HB3 H 1 3.170 0.001 . . . . . . 66 Y HB3 . 16779 1
729 . 1 1 66 66 TYR HD1 H 1 7.190 0.033 . . . . . . 66 Y QD . 16779 1
730 . 1 1 66 66 TYR HD2 H 1 7.190 0.033 . . . . . . 66 Y QD . 16779 1
731 . 1 1 66 66 TYR HE1 H 1 6.838 0.002 . . . . . . 66 Y QE . 16779 1
732 . 1 1 66 66 TYR HE2 H 1 6.838 0.002 . . . . . . 66 Y QE . 16779 1
733 . 1 1 66 66 TYR C C 13 178.036 0.022 . . . . . . 66 Y CO . 16779 1
734 . 1 1 66 66 TYR CA C 13 61.909 0.038 . . . . . . 66 Y CA . 16779 1
735 . 1 1 66 66 TYR CB C 13 37.272 0.027 . . . . . . 66 Y CB . 16779 1
736 . 1 1 66 66 TYR CD1 C 13 138.069 0.000 . . . . . . 66 Y CD1 . 16779 1
737 . 1 1 66 66 TYR N N 15 122.741 0.040 . . . . . . 66 Y N . 16779 1
738 . 1 1 67 67 GLU H H 1 8.602 0.004 . . . . . . 67 E HN . 16779 1
739 . 1 1 67 67 GLU HA H 1 3.978 0.005 . . . . . . 67 E HA . 16779 1
740 . 1 1 67 67 GLU HB2 H 1 2.153 0.002 . . . . . . 67 E QB . 16779 1
741 . 1 1 67 67 GLU HB3 H 1 2.153 0.002 . . . . . . 67 E QB . 16779 1
742 . 1 1 67 67 GLU HG2 H 1 2.453 0.006 . . . . . . 67 E QG . 16779 1
743 . 1 1 67 67 GLU HG3 H 1 2.453 0.006 . . . . . . 67 E QG . 16779 1
744 . 1 1 67 67 GLU C C 13 178.752 0.022 . . . . . . 67 E CO . 16779 1
745 . 1 1 67 67 GLU CA C 13 58.874 0.024 . . . . . . 67 E CA . 16779 1
746 . 1 1 67 67 GLU CB C 13 29.421 0.018 . . . . . . 67 E CB . 16779 1
747 . 1 1 67 67 GLU CG C 13 35.933 0.064 . . . . . . 67 E CG . 16779 1
748 . 1 1 67 67 GLU N N 15 119.631 0.030 . . . . . . 67 E N . 16779 1
749 . 1 1 68 68 TRP H H 1 8.555 0.004 . . . . . . 68 W HN . 16779 1
750 . 1 1 68 68 TRP HA H 1 4.227 0.008 . . . . . . 68 W HA . 16779 1
751 . 1 1 68 68 TRP HB2 H 1 3.246 0.006 . . . . . . 68 W HB2 . 16779 1
752 . 1 1 68 68 TRP HB3 H 1 3.359 0.006 . . . . . . 68 W HB3 . 16779 1
753 . 1 1 68 68 TRP HD1 H 1 6.903 0.002 . . . . . . 68 W HD1 . 16779 1
754 . 1 1 68 68 TRP HE1 H 1 10.427 0.004 . . . . . . 68 W HE1 . 16779 1
755 . 1 1 68 68 TRP HE3 H 1 7.503 0.003 . . . . . . 68 W HE3 . 16779 1
756 . 1 1 68 68 TRP HH2 H 1 7.114 0.004 . . . . . . 68 W HH2 . 16779 1
757 . 1 1 68 68 TRP HZ2 H 1 7.407 0.004 . . . . . . 68 W HZ2 . 16779 1
758 . 1 1 68 68 TRP HZ3 H 1 7.002 0.002 . . . . . . 68 W HZ3 . 16779 1
759 . 1 1 68 68 TRP C C 13 178.989 0.022 . . . . . . 68 W CO . 16779 1
760 . 1 1 68 68 TRP CA C 13 60.907 0.014 . . . . . . 68 W CA . 16779 1
761 . 1 1 68 68 TRP CB C 13 30.484 0.054 . . . . . . 68 W CB . 16779 1
762 . 1 1 68 68 TRP CD1 C 13 125.340 0.051 . . . . . . 68 W CD1 . 16779 1
763 . 1 1 68 68 TRP CZ2 C 13 114.493 0.000 . . . . . . 68 W CZ2 . 16779 1
764 . 1 1 68 68 TRP N N 15 119.618 0.039 . . . . . . 68 W N . 16779 1
765 . 1 1 69 69 THR H H 1 8.350 0.007 . . . . . . 69 T HN . 16779 1
766 . 1 1 69 69 THR HA H 1 4.025 0.008 . . . . . . 69 T HA . 16779 1
767 . 1 1 69 69 THR HB H 1 4.290 0.006 . . . . . . 69 T HB . 16779 1
768 . 1 1 69 69 THR HG21 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1
769 . 1 1 69 69 THR HG22 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1
770 . 1 1 69 69 THR HG23 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1
771 . 1 1 69 69 THR C C 13 176.425 0.035 . . . . . . 69 T CO . 16779 1
772 . 1 1 69 69 THR CA C 13 64.719 0.013 . . . . . . 69 T CA . 16779 1
773 . 1 1 69 69 THR CB C 13 69.449 0.036 . . . . . . 69 T CB . 16779 1
774 . 1 1 69 69 THR CG2 C 13 21.932 0.054 . . . . . . 69 T CG2 . 16779 1
775 . 1 1 69 69 THR N N 15 110.636 0.033 . . . . . . 69 T N . 16779 1
776 . 1 1 70 70 LYS H H 1 7.578 0.004 . . . . . . 70 K HN . 16779 1
777 . 1 1 70 70 LYS HA H 1 3.939 0.007 . . . . . . 70 K HA . 16779 1
778 . 1 1 70 70 LYS HB2 H 1 1.757 0.008 . . . . . . 70 K HB2 . 16779 1
779 . 1 1 70 70 LYS HB3 H 1 1.722 0.005 . . . . . . 70 K HB3 . 16779 1
780 . 1 1 70 70 LYS HD2 H 1 1.569 0.008 . . . . . . 70 K HD2 . 16779 1
781 . 1 1 70 70 LYS HE2 H 1 2.842 0.001 . . . . . . 70 K HE2 . 16779 1
782 . 1 1 70 70 LYS HG2 H 1 1.356 0.007 . . . . . . 70 K HG2 . 16779 1
783 . 1 1 70 70 LYS HG3 H 1 1.245 0.007 . . . . . . 70 K HG3 . 16779 1
784 . 1 1 70 70 LYS C C 13 178.236 0.010 . . . . . . 70 K CO . 16779 1
785 . 1 1 70 70 LYS CA C 13 58.957 0.015 . . . . . . 70 K CA . 16779 1
786 . 1 1 70 70 LYS CB C 13 32.204 0.019 . . . . . . 70 K CB . 16779 1
787 . 1 1 70 70 LYS CD C 13 29.353 0.053 . . . . . . 70 K CD . 16779 1
788 . 1 1 70 70 LYS CE C 13 41.993 0.041 . . . . . . 70 K CE . 16779 1
789 . 1 1 70 70 LYS CG C 13 24.554 0.021 . . . . . . 70 K CG . 16779 1
790 . 1 1 70 70 LYS N N 15 122.828 0.024 . . . . . . 70 K N . 16779 1
791 . 1 1 71 71 ILE H H 1 7.506 0.005 . . . . . . 71 I HN . 16779 1
792 . 1 1 71 71 ILE HA H 1 3.960 0.004 . . . . . . 71 I HA . 16779 1
793 . 1 1 71 71 ILE HB H 1 1.648 0.008 . . . . . . 71 I HB . 16779 1
794 . 1 1 71 71 ILE HD11 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1
795 . 1 1 71 71 ILE HD12 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1
796 . 1 1 71 71 ILE HD13 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1
797 . 1 1 71 71 ILE HG12 H 1 1.401 0.007 . . . . . . 71 I HG12 . 16779 1
798 . 1 1 71 71 ILE HG13 H 1 1.145 0.006 . . . . . . 71 I HG13 . 16779 1
799 . 1 1 71 71 ILE HG21 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1
800 . 1 1 71 71 ILE HG22 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1
801 . 1 1 71 71 ILE HG23 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1
802 . 1 1 71 71 ILE C C 13 176.820 0.024 . . . . . . 71 I CO . 16779 1
803 . 1 1 71 71 ILE CA C 13 62.485 0.061 . . . . . . 71 I CA . 16779 1
804 . 1 1 71 71 ILE CB C 13 38.591 0.046 . . . . . . 71 I CB . 16779 1
805 . 1 1 71 71 ILE CD1 C 13 12.787 0.097 . . . . . . 71 I CD1 . 16779 1
806 . 1 1 71 71 ILE CG1 C 13 27.651 0.009 . . . . . . 71 I CG1 . 16779 1
807 . 1 1 71 71 ILE CG2 C 13 17.277 0.100 . . . . . . 71 I CG2 . 16779 1
808 . 1 1 71 71 ILE N N 15 116.695 0.032 . . . . . . 71 I N . 16779 1
809 . 1 1 72 72 ASN H H 1 7.907 0.006 . . . . . . 72 N HN . 16779 1
810 . 1 1 72 72 ASN HA H 1 4.602 0.006 . . . . . . 72 N HA . 16779 1
811 . 1 1 72 72 ASN HB2 H 1 2.012 0.007 . . . . . . 72 N HB2 . 16779 1
812 . 1 1 72 72 ASN HB3 H 1 2.472 0.005 . . . . . . 72 N HB3 . 16779 1
813 . 1 1 72 72 ASN HD21 H 1 6.135 0.007 . . . . . . 72 N HD21 . 16779 1
814 . 1 1 72 72 ASN HD22 H 1 6.012 0.006 . . . . . . 72 N HD22 . 16779 1
815 . 1 1 72 72 ASN C C 13 175.609 0.025 . . . . . . 72 N CO . 16779 1
816 . 1 1 72 72 ASN CA C 13 53.913 0.006 . . . . . . 72 N CA . 16779 1
817 . 1 1 72 72 ASN CB C 13 39.264 0.052 . . . . . . 72 N CB . 16779 1
818 . 1 1 72 72 ASN N N 15 117.858 0.049 . . . . . . 72 N N . 16779 1
819 . 1 1 72 72 ASN ND2 N 15 113.545 0.025 . . . . . . 72 N ND2 . 16779 1
820 . 1 1 73 73 GLY H H 1 7.958 0.003 . . . . . . 73 G HN . 16779 1
821 . 1 1 73 73 GLY HA2 H 1 4.058 0.009 . . . . . . 73 G HA1 . 16779 1
822 . 1 1 73 73 GLY HA3 H 1 3.922 0.010 . . . . . . 73 G HA2 . 16779 1
823 . 1 1 73 73 GLY C C 13 174.491 0.000 . . . . . . 73 G CO . 16779 1
824 . 1 1 73 73 GLY CA C 13 45.687 0.000 . . . . . . 73 G CA . 16779 1
825 . 1 1 73 73 GLY N N 15 109.031 0.025 . . . . . . 73 G N . 16779 1
826 . 1 1 82 82 GLY HA2 H 1 3.970 0.001 . . . . . . 82 G HA1 . 16779 1
827 . 1 1 82 82 GLY HA3 H 1 4.012 0.001 . . . . . . 82 G HA2 . 16779 1
828 . 1 1 82 82 GLY C C 13 174.406 0.014 . . . . . . 82 G CO . 16779 1
829 . 1 1 82 82 GLY CA C 13 45.596 0.000 . . . . . . 82 G CA . 16779 1
830 . 1 1 83 83 GLY H H 1 8.147 0.003 . . . . . . 83 G HN . 16779 1
831 . 1 1 83 83 GLY HA2 H 1 3.923 0.010 . . . . . . 83 G HA1 . 16779 1
832 . 1 1 83 83 GLY HA3 H 1 4.037 0.008 . . . . . . 83 G HA2 . 16779 1
833 . 1 1 83 83 GLY C C 13 173.080 0.005 . . . . . . 83 G CO . 16779 1
834 . 1 1 83 83 GLY CA C 13 45.059 0.028 . . . . . . 83 G CA . 16779 1
835 . 1 1 83 83 GLY N N 15 108.266 0.031 . . . . . . 83 G N . 16779 1
836 . 1 1 84 84 ASP H H 1 8.161 0.002 . . . . . . 84 D HN . 16779 1
837 . 1 1 84 84 ASP HA H 1 4.713 0.006 . . . . . . 84 D HA . 16779 1
838 . 1 1 84 84 ASP HB2 H 1 2.483 0.005 . . . . . . 84 D HB2 . 16779 1
839 . 1 1 84 84 ASP HB3 H 1 2.640 0.005 . . . . . . 84 D HB3 . 16779 1
840 . 1 1 84 84 ASP C C 13 174.974 0.005 . . . . . . 84 D CO . 16779 1
841 . 1 1 84 84 ASP CA C 13 53.816 0.018 . . . . . . 84 D CA . 16779 1
842 . 1 1 84 84 ASP CB C 13 41.966 0.023 . . . . . . 84 D CB . 16779 1
843 . 1 1 84 84 ASP N N 15 120.379 0.027 . . . . . . 84 D N . 16779 1
844 . 1 1 85 85 VAL H H 1 8.075 0.004 . . . . . . 85 V HN . 16779 1
845 . 1 1 85 85 VAL HA H 1 3.998 0.006 . . . . . . 85 V HA . 16779 1
846 . 1 1 85 85 VAL HB H 1 1.881 0.005 . . . . . . 85 V HB . 16779 1
847 . 1 1 85 85 VAL HG11 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1
848 . 1 1 85 85 VAL HG12 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1
849 . 1 1 85 85 VAL HG13 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1
850 . 1 1 85 85 VAL HG21 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1
851 . 1 1 85 85 VAL HG22 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1
852 . 1 1 85 85 VAL HG23 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1
853 . 1 1 85 85 VAL C C 13 175.655 0.011 . . . . . . 85 V CO . 16779 1
854 . 1 1 85 85 VAL CA C 13 63.021 0.021 . . . . . . 85 V CA . 16779 1
855 . 1 1 85 85 VAL CB C 13 31.920 0.065 . . . . . . 85 V CB . 16779 1
856 . 1 1 85 85 VAL CG1 C 13 21.669 0.003 . . . . . . 85 V CG1 . 16779 1
857 . 1 1 85 85 VAL N N 15 121.814 0.027 . . . . . . 85 V N . 16779 1
858 . 1 1 86 86 MET H H 1 8.724 0.006 . . . . . . 86 M HN . 16779 1
859 . 1 1 86 86 MET HA H 1 4.467 0.008 . . . . . . 86 M HA . 16779 1
860 . 1 1 86 86 MET HB2 H 1 0.532 0.006 . . . . . . 86 M HB2 . 16779 1
861 . 1 1 86 86 MET HB3 H 1 1.610 0.004 . . . . . . 86 M HB3 . 16779 1
862 . 1 1 86 86 MET HG2 H 1 2.268 0.005 . . . . . . 86 M HG2 . 16779 1
863 . 1 1 86 86 MET HG3 H 1 2.320 0.004 . . . . . . 86 M HG3 . 16779 1
864 . 1 1 86 86 MET C C 13 173.413 0.005 . . . . . . 86 M CO . 16779 1
865 . 1 1 86 86 MET CA C 13 53.858 0.014 . . . . . . 86 M CA . 16779 1
866 . 1 1 86 86 MET CB C 13 35.018 0.042 . . . . . . 86 M CB . 16779 1
867 . 1 1 86 86 MET CG C 13 32.546 0.020 . . . . . . 86 M CG . 16779 1
868 . 1 1 86 86 MET N N 15 128.165 0.046 . . . . . . 86 M N . 16779 1
869 . 1 1 87 87 VAL H H 1 8.037 0.004 . . . . . . 87 V HN . 16779 1
870 . 1 1 87 87 VAL HA H 1 4.829 0.004 . . . . . . 87 V HA . 16779 1
871 . 1 1 87 87 VAL HB H 1 1.782 0.009 . . . . . . 87 V HB . 16779 1
872 . 1 1 87 87 VAL HG11 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1
873 . 1 1 87 87 VAL HG12 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1
874 . 1 1 87 87 VAL HG13 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1
875 . 1 1 87 87 VAL HG21 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1
876 . 1 1 87 87 VAL HG22 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1
877 . 1 1 87 87 VAL HG23 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1
878 . 1 1 87 87 VAL C C 13 177.802 0.005 . . . . . . 87 V CO . 16779 1
879 . 1 1 87 87 VAL CA C 13 60.494 0.002 . . . . . . 87 V CA . 16779 1
880 . 1 1 87 87 VAL CB C 13 34.240 0.069 . . . . . . 87 V CB . 16779 1
881 . 1 1 87 87 VAL CG1 C 13 21.397 0.055 . . . . . . 87 V CG1 . 16779 1
882 . 1 1 87 87 VAL N N 15 117.494 0.035 . . . . . . 87 V N . 16779 1
883 . 1 1 88 88 VAL H H 1 9.453 0.005 . . . . . . 88 V HN . 16779 1
884 . 1 1 88 88 VAL HA H 1 3.682 0.006 . . . . . . 88 V HA . 16779 1
885 . 1 1 88 88 VAL HB H 1 2.293 0.005 . . . . . . 88 V HB . 16779 1
886 . 1 1 88 88 VAL HG11 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1
887 . 1 1 88 88 VAL HG12 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1
888 . 1 1 88 88 VAL HG13 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1
889 . 1 1 88 88 VAL HG21 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1
890 . 1 1 88 88 VAL HG22 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1
891 . 1 1 88 88 VAL HG23 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1
892 . 1 1 88 88 VAL C C 13 176.851 0.013 . . . . . . 88 V CO . 16779 1
893 . 1 1 88 88 VAL CA C 13 65.241 0.012 . . . . . . 88 V CA . 16779 1
894 . 1 1 88 88 VAL CB C 13 31.915 0.070 . . . . . . 88 V CB . 16779 1
895 . 1 1 88 88 VAL CG1 C 13 22.261 0.004 . . . . . . 88 V CG1 . 16779 1
896 . 1 1 88 88 VAL CG2 C 13 24.236 0.012 . . . . . . 88 V CG2 . 16779 1
897 . 1 1 88 88 VAL N N 15 130.803 0.049 . . . . . . 88 V N . 16779 1
898 . 1 1 89 89 GLY H H 1 8.480 0.006 . . . . . . 89 G HN . 16779 1
899 . 1 1 89 89 GLY HA2 H 1 3.761 0.007 . . . . . . 89 G HA1 . 16779 1
900 . 1 1 89 89 GLY HA3 H 1 4.532 0.010 . . . . . . 89 G HA2 . 16779 1
901 . 1 1 89 89 GLY C C 13 171.638 0.031 . . . . . . 89 G CO . 16779 1
902 . 1 1 89 89 GLY CA C 13 43.842 0.031 . . . . . . 89 G CA . 16779 1
903 . 1 1 89 89 GLY N N 15 120.293 0.035 . . . . . . 89 G N . 16779 1
904 . 1 1 90 90 GLU H H 1 8.155 0.002 . . . . . . 90 E HN . 16779 1
905 . 1 1 90 90 GLU HA H 1 4.408 0.007 . . . . . . 90 E HA . 16779 1
906 . 1 1 90 90 GLU C C 13 175.398 0.000 . . . . . . 90 E CO . 16779 1
907 . 1 1 90 90 GLU CA C 13 54.773 0.049 . . . . . . 90 E CA . 16779 1
908 . 1 1 90 90 GLU CB C 13 29.503 0.000 . . . . . . 90 E CB . 16779 1
909 . 1 1 90 90 GLU N N 15 117.537 0.037 . . . . . . 90 E N . 16779 1
910 . 1 1 91 91 PRO HA H 1 4.939 0.006 . . . . . . 91 P HA . 16779 1
911 . 1 1 91 91 PRO HB2 H 1 1.999 0.006 . . . . . . 91 P HB2 . 16779 1
912 . 1 1 91 91 PRO HB3 H 1 2.191 0.003 . . . . . . 91 P HB3 . 16779 1
913 . 1 1 91 91 PRO HD2 H 1 3.779 0.004 . . . . . . 91 P HD2 . 16779 1
914 . 1 1 91 91 PRO HD3 H 1 3.831 0.006 . . . . . . 91 P HD3 . 16779 1
915 . 1 1 91 91 PRO HG2 H 1 2.016 0.011 . . . . . . 91 P HG2 . 16779 1
916 . 1 1 91 91 PRO HG3 H 1 2.042 0.007 . . . . . . 91 P HG3 . 16779 1
917 . 1 1 91 91 PRO C C 13 175.980 0.013 . . . . . . 91 P CO . 16779 1
918 . 1 1 91 91 PRO CA C 13 62.864 0.015 . . . . . . 91 P CA . 16779 1
919 . 1 1 91 91 PRO CB C 13 33.301 0.018 . . . . . . 91 P CB . 16779 1
920 . 1 1 91 91 PRO CD C 13 50.424 0.080 . . . . . . 91 P CD . 16779 1
921 . 1 1 91 91 PRO CG C 13 27.148 0.051 . . . . . . 91 P CG . 16779 1
922 . 1 1 92 92 THR H H 1 8.655 0.005 . . . . . . 92 T HN . 16779 1
923 . 1 1 92 92 THR HA H 1 4.679 0.004 . . . . . . 92 T HA . 16779 1
924 . 1 1 92 92 THR HB H 1 4.038 0.005 . . . . . . 92 T HB . 16779 1
925 . 1 1 92 92 THR HG21 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1
926 . 1 1 92 92 THR HG22 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1
927 . 1 1 92 92 THR HG23 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1
928 . 1 1 92 92 THR C C 13 174.572 0.025 . . . . . . 92 T CO . 16779 1
929 . 1 1 92 92 THR CA C 13 59.587 0.023 . . . . . . 92 T CA . 16779 1
930 . 1 1 92 92 THR CB C 13 72.326 0.035 . . . . . . 92 T CB . 16779 1
931 . 1 1 92 92 THR CG2 C 13 21.740 0.093 . . . . . . 92 T CG2 . 16779 1
932 . 1 1 92 92 THR N N 15 111.431 0.037 . . . . . . 92 T N . 16779 1
933 . 1 1 93 93 LEU H H 1 8.779 0.002 . . . . . . 93 L HN . 16779 1
934 . 1 1 93 93 LEU HA H 1 4.526 0.005 . . . . . . 93 L HA . 16779 1
935 . 1 1 93 93 LEU HB2 H 1 1.523 0.010 . . . . . . 93 L HB2 . 16779 1
936 . 1 1 93 93 LEU HB3 H 1 1.605 0.010 . . . . . . 93 L HB3 . 16779 1
937 . 1 1 93 93 LEU HD11 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1
938 . 1 1 93 93 LEU HD12 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1
939 . 1 1 93 93 LEU HD13 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1
940 . 1 1 93 93 LEU HD21 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1
941 . 1 1 93 93 LEU HD22 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1
942 . 1 1 93 93 LEU HD23 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1
943 . 1 1 93 93 LEU HG H 1 1.690 0.000 . . . . . . 93 L HG . 16779 1
944 . 1 1 93 93 LEU C C 13 178.782 0.014 . . . . . . 93 L CO . 16779 1
945 . 1 1 93 93 LEU CA C 13 55.540 0.036 . . . . . . 93 L CA . 16779 1
946 . 1 1 93 93 LEU CB C 13 42.962 0.018 . . . . . . 93 L CB . 16779 1
947 . 1 1 93 93 LEU CD1 C 13 24.933 0.000 . . . . . . 93 L CD1 . 16779 1
948 . 1 1 93 93 LEU CG C 13 27.161 0.000 . . . . . . 93 L CG . 16779 1
949 . 1 1 93 93 LEU N N 15 127.520 0.044 . . . . . . 93 L N . 16779 1
950 . 1 1 94 94 MET H H 1 8.801 0.004 . . . . . . 94 M HN . 16779 1
951 . 1 1 94 94 MET HA H 1 4.200 0.004 . . . . . . 94 M HA . 16779 1
952 . 1 1 94 94 MET C C 13 177.610 0.000 . . . . . . 94 M CO . 16779 1
953 . 1 1 94 94 MET CA C 13 57.670 0.000 . . . . . . 94 M CA . 16779 1
954 . 1 1 94 94 MET CB C 13 32.976 0.000 . . . . . . 94 M CB . 16779 1
955 . 1 1 94 94 MET N N 15 126.137 0.043 . . . . . . 94 M N . 16779 1
956 . 1 1 95 95 GLY HA2 H 1 3.969 0.001 . . . . . . 95 G HA1 . 16779 1
957 . 1 1 95 95 GLY HA3 H 1 3.926 0.001 . . . . . . 95 G HA2 . 16779 1
958 . 1 1 95 95 GLY C C 13 173.582 0.000 . . . . . . 95 G CO . 16779 1
959 . 1 1 95 95 GLY CA C 13 45.040 0.015 . . . . . . 95 G CA . 16779 1
960 . 1 1 96 96 GLY H H 1 7.931 0.007 . . . . . . 96 G HN . 16779 1
961 . 1 1 96 96 GLY HA2 H 1 3.963 0.018 . . . . . . 96 G HA1 . 16779 1
962 . 1 1 96 96 GLY HA3 H 1 3.903 0.005 . . . . . . 96 G HA2 . 16779 1
963 . 1 1 96 96 GLY C C 13 173.839 0.031 . . . . . . 96 G CO . 16779 1
964 . 1 1 96 96 GLY CA C 13 45.055 0.025 . . . . . . 96 G CA . 16779 1
965 . 1 1 96 96 GLY N N 15 106.580 0.024 . . . . . . 96 G N . 16779 1
966 . 1 1 97 97 GLU H H 1 8.329 0.002 . . . . . . 97 E HN . 16779 1
967 . 1 1 97 97 GLU HA H 1 4.230 0.008 . . . . . . 97 E HA . 16779 1
968 . 1 1 97 97 GLU HB2 H 1 1.781 0.005 . . . . . . 97 E HB2 . 16779 1
969 . 1 1 97 97 GLU HB3 H 1 1.887 0.007 . . . . . . 97 E HB3 . 16779 1
970 . 1 1 97 97 GLU HG2 H 1 2.023 0.009 . . . . . . 97 E HG2 . 16779 1
971 . 1 1 97 97 GLU HG3 H 1 2.074 0.004 . . . . . . 97 E HG3 . 16779 1
972 . 1 1 97 97 GLU C C 13 176.269 0.001 . . . . . . 97 E CO . 16779 1
973 . 1 1 97 97 GLU CA C 13 56.605 0.019 . . . . . . 97 E CA . 16779 1
974 . 1 1 97 97 GLU CB C 13 30.387 0.040 . . . . . . 97 E CB . 16779 1
975 . 1 1 97 97 GLU CG C 13 36.089 0.138 . . . . . . 97 E CG . 16779 1
976 . 1 1 97 97 GLU N N 15 120.027 0.020 . . . . . . 97 E N . 16779 1
977 . 1 1 98 98 PHE H H 1 8.387 0.004 . . . . . . 98 F HN . 16779 1
978 . 1 1 98 98 PHE HA H 1 4.655 0.004 . . . . . . 98 F HA . 16779 1
979 . 1 1 98 98 PHE HB2 H 1 2.961 0.008 . . . . . . 98 F HB2 . 16779 1
980 . 1 1 98 98 PHE HB3 H 1 3.198 0.007 . . . . . . 98 F HB3 . 16779 1
981 . 1 1 98 98 PHE HD1 H 1 7.229 0.007 . . . . . . 98 F QD . 16779 1
982 . 1 1 98 98 PHE HD2 H 1 7.229 0.007 . . . . . . 98 F QD . 16779 1
983 . 1 1 98 98 PHE C C 13 176.175 0.017 . . . . . . 98 F CO . 16779 1
984 . 1 1 98 98 PHE CA C 13 57.808 0.014 . . . . . . 98 F CA . 16779 1
985 . 1 1 98 98 PHE CB C 13 39.609 0.031 . . . . . . 98 F CB . 16779 1
986 . 1 1 98 98 PHE N N 15 120.980 0.032 . . . . . . 98 F N . 16779 1
987 . 1 1 99 99 GLY H H 1 8.427 0.006 . . . . . . 99 G HN . 16779 1
988 . 1 1 99 99 GLY HA2 H 1 3.940 0.015 . . . . . . 99 G HA1 . 16779 1
989 . 1 1 99 99 GLY HA3 H 1 3.976 0.015 . . . . . . 99 G HA2 . 16779 1
990 . 1 1 99 99 GLY C C 13 173.763 0.009 . . . . . . 99 G CO . 16779 1
991 . 1 1 99 99 GLY CA C 13 45.323 0.025 . . . . . . 99 G CA . 16779 1
992 . 1 1 99 99 GLY N N 15 111.065 0.021 . . . . . . 99 G N . 16779 1
993 . 1 1 100 100 ASP H H 1 8.279 0.005 . . . . . . 100 D HN . 16779 1
994 . 1 1 100 100 ASP HA H 1 4.550 0.024 . . . . . . 100 D HA . 16779 1
995 . 1 1 100 100 ASP HB2 H 1 2.625 0.005 . . . . . . 100 D HB2 . 16779 1
996 . 1 1 100 100 ASP HB3 H 1 2.734 0.004 . . . . . . 100 D HB3 . 16779 1
997 . 1 1 100 100 ASP C C 13 176.911 0.000 . . . . . . 100 D CO . 16779 1
998 . 1 1 100 100 ASP CA C 13 54.918 0.032 . . . . . . 100 D CA . 16779 1
999 . 1 1 100 100 ASP CB C 13 41.265 0.034 . . . . . . 100 D CB . 16779 1
1000 . 1 1 100 100 ASP N N 15 120.788 0.044 . . . . . . 100 D N . 16779 1
1001 . 1 1 101 101 GLU H H 1 8.409 0.003 . . . . . . 101 E HN . 16779 1
1002 . 1 1 101 101 GLU HA H 1 4.174 0.011 . . . . . . 101 E HA . 16779 1
1003 . 1 1 101 101 GLU C C 13 176.998 0.000 . . . . . . 101 E CO . 16779 1
1004 . 1 1 101 101 GLU CA C 13 57.544 0.000 . . . . . . 101 E CA . 16779 1
1005 . 1 1 101 101 GLU CB C 13 29.886 0.000 . . . . . . 101 E CB . 16779 1
1006 . 1 1 101 101 GLU N N 15 122.271 0.027 . . . . . . 101 E N . 16779 1
1007 . 1 1 102 102 ASP HA H 1 4.620 0.005 . . . . . . 102 D HA . 16779 1
1008 . 1 1 102 102 ASP HB2 H 1 2.611 0.013 . . . . . . 102 D HB2 . 16779 1
1009 . 1 1 102 102 ASP HB3 H 1 2.723 0.008 . . . . . . 102 D HB3 . 16779 1
1010 . 1 1 102 102 ASP C C 13 176.675 0.000 . . . . . . 102 D CO . 16779 1
1011 . 1 1 102 102 ASP CA C 13 54.610 0.007 . . . . . . 102 D CA . 16779 1
1012 . 1 1 102 102 ASP CB C 13 41.461 0.044 . . . . . . 102 D CB . 16779 1
1013 . 1 1 103 103 GLU H H 1 8.560 0.004 . . . . . . 103 E HN . 16779 1
1014 . 1 1 103 103 GLU HA H 1 4.188 0.018 . . . . . . 103 E HA . 16779 1
1015 . 1 1 103 103 GLU HB2 H 1 1.988 0.020 . . . . . . 103 E HB2 . 16779 1
1016 . 1 1 103 103 GLU HB3 H 1 2.073 0.004 . . . . . . 103 E HB3 . 16779 1
1017 . 1 1 103 103 GLU HG2 H 1 2.245 0.004 . . . . . . 103 E HG2 . 16779 1
1018 . 1 1 103 103 GLU HG3 H 1 2.292 0.008 . . . . . . 103 E HG3 . 16779 1
1019 . 1 1 103 103 GLU C C 13 177.008 0.000 . . . . . . 103 E CO . 16779 1
1020 . 1 1 103 103 GLU CA C 13 57.479 0.066 . . . . . . 103 E CA . 16779 1
1021 . 1 1 103 103 GLU CB C 13 29.980 0.076 . . . . . . 103 E CB . 16779 1
1022 . 1 1 103 103 GLU CG C 13 36.374 0.000 . . . . . . 103 E CG . 16779 1
1023 . 1 1 103 103 GLU N N 15 120.913 0.017 . . . . . . 103 E N . 16779 1
1024 . 1 1 104 104 ARG H H 1 8.240 0.009 . . . . . . 104 R HN . 16779 1
1025 . 1 1 104 104 ARG HA H 1 4.219 0.008 . . . . . . 104 R HA . 16779 1
1026 . 1 1 104 104 ARG HB2 H 1 1.784 0.003 . . . . . . 104 R HB2 . 16779 1
1027 . 1 1 104 104 ARG HB3 H 1 1.820 0.011 . . . . . . 104 R HB3 . 16779 1
1028 . 1 1 104 104 ARG HD2 H 1 3.141 0.003 . . . . . . 104 R HD2 . 16779 1
1029 . 1 1 104 104 ARG HD3 H 1 3.183 0.005 . . . . . . 104 R HD3 . 16779 1
1030 . 1 1 104 104 ARG HG2 H 1 1.605 0.008 . . . . . . 104 R HG2 . 16779 1
1031 . 1 1 104 104 ARG HG3 H 1 1.640 0.009 . . . . . . 104 R HG3 . 16779 1
1032 . 1 1 104 104 ARG C C 13 176.733 0.021 . . . . . . 104 R CO . 16779 1
1033 . 1 1 104 104 ARG CA C 13 56.926 0.017 . . . . . . 104 R CA . 16779 1
1034 . 1 1 104 104 ARG CB C 13 30.398 0.028 . . . . . . 104 R CB . 16779 1
1035 . 1 1 104 104 ARG CD C 13 43.490 0.000 . . . . . . 104 R CD . 16779 1
1036 . 1 1 104 104 ARG CG C 13 27.234 0.000 . . . . . . 104 R CG . 16779 1
1037 . 1 1 104 104 ARG N N 15 120.548 0.037 . . . . . . 104 R N . 16779 1
1038 . 1 1 105 105 LEU H H 1 8.013 0.007 . . . . . . 105 L HN . 16779 1
1039 . 1 1 105 105 LEU HA H 1 4.320 0.011 . . . . . . 105 L HA . 16779 1
1040 . 1 1 105 105 LEU HB2 H 1 1.589 0.004 . . . . . . 105 L HB2 . 16779 1
1041 . 1 1 105 105 LEU HB3 H 1 1.679 0.005 . . . . . . 105 L HB3 . 16779 1
1042 . 1 1 105 105 LEU HD11 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1
1043 . 1 1 105 105 LEU HD12 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1
1044 . 1 1 105 105 LEU HD13 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1
1045 . 1 1 105 105 LEU HD21 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1
1046 . 1 1 105 105 LEU HD22 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1
1047 . 1 1 105 105 LEU HD23 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1
1048 . 1 1 105 105 LEU HG H 1 1.644 0.000 . . . . . . 105 L HG . 16779 1
1049 . 1 1 105 105 LEU C C 13 177.451 0.034 . . . . . . 105 L CO . 16779 1
1050 . 1 1 105 105 LEU CA C 13 55.611 0.012 . . . . . . 105 L CA . 16779 1
1051 . 1 1 105 105 LEU CB C 13 42.166 0.033 . . . . . . 105 L CB . 16779 1
1052 . 1 1 105 105 LEU CD1 C 13 25.033 0.000 . . . . . . 105 L CD1 . 16779 1
1053 . 1 1 105 105 LEU CD2 C 13 23.595 0.000 . . . . . . 105 L CD2 . 16779 1
1054 . 1 1 105 105 LEU CG C 13 27.154 0.000 . . . . . . 105 L CG . 16779 1
1055 . 1 1 105 105 LEU N N 15 121.636 0.047 . . . . . . 105 L N . 16779 1
1056 . 1 1 106 106 ILE H H 1 7.959 0.003 . . . . . . 106 I HN . 16779 1
1057 . 1 1 106 106 ILE HA H 1 4.177 0.019 . . . . . . 106 I HA . 16779 1
1058 . 1 1 106 106 ILE HB H 1 1.890 0.013 . . . . . . 106 I HB . 16779 1
1059 . 1 1 106 106 ILE HD11 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1
1060 . 1 1 106 106 ILE HD12 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1
1061 . 1 1 106 106 ILE HD13 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1
1062 . 1 1 106 106 ILE HG12 H 1 1.478 0.007 . . . . . . 106 I HG12 . 16779 1
1063 . 1 1 106 106 ILE HG13 H 1 1.185 0.010 . . . . . . 106 I HG13 . 16779 1
1064 . 1 1 106 106 ILE HG21 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1
1065 . 1 1 106 106 ILE HG22 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1
1066 . 1 1 106 106 ILE HG23 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1
1067 . 1 1 106 106 ILE C C 13 176.819 0.400 . . . . . . 106 I CO . 16779 1
1068 . 1 1 106 106 ILE CA C 13 61.495 0.167 . . . . . . 106 I CA . 16779 1
1069 . 1 1 106 106 ILE CB C 13 38.584 0.054 . . . . . . 106 I CB . 16779 1
1070 . 1 1 106 106 ILE CD1 C 13 13.225 0.000 . . . . . . 106 I CD1 . 16779 1
1071 . 1 1 106 106 ILE CG1 C 13 27.362 0.082 . . . . . . 106 I CG1 . 16779 1
1072 . 1 1 106 106 ILE CG2 C 13 17.482 0.062 . . . . . . 106 I CG2 . 16779 1
1073 . 1 1 106 106 ILE N N 15 121.193 0.033 . . . . . . 106 I N . 16779 1
1074 . 1 1 107 107 THR H H 1 8.120 0.003 . . . . . . 107 T HN . 16779 1
1075 . 1 1 107 107 THR HA H 1 4.295 0.009 . . . . . . 107 T HA . 16779 1
1076 . 1 1 107 107 THR HB H 1 4.156 0.018 . . . . . . 107 T HB . 16779 1
1077 . 1 1 107 107 THR HG21 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1
1078 . 1 1 107 107 THR HG22 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1
1079 . 1 1 107 107 THR HG23 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1
1080 . 1 1 107 107 THR C C 13 174.489 0.005 . . . . . . 107 T CO . 16779 1
1081 . 1 1 107 107 THR CA C 13 62.381 0.021 . . . . . . 107 T CA . 16779 1
1082 . 1 1 107 107 THR CB C 13 69.671 0.094 . . . . . . 107 T CB . 16779 1
1083 . 1 1 107 107 THR CG2 C 13 21.752 0.066 . . . . . . 107 T CG2 . 16779 1
1084 . 1 1 107 107 THR N N 15 118.168 0.033 . . . . . . 107 T N . 16779 1
1085 . 1 1 108 108 ARG H H 1 8.234 0.004 . . . . . . 108 R HN . 16779 1
1086 . 1 1 108 108 ARG HA H 1 4.366 0.008 . . . . . . 108 R HA . 16779 1
1087 . 1 1 108 108 ARG HB2 H 1 1.771 0.006 . . . . . . 108 R HB2 . 16779 1
1088 . 1 1 108 108 ARG HB3 H 1 1.860 0.005 . . . . . . 108 R HB3 . 16779 1
1089 . 1 1 108 108 ARG HD2 H 1 3.170 0.000 . . . . . . 108 R HD2 . 16779 1
1090 . 1 1 108 108 ARG HD3 H 1 3.180 0.001 . . . . . . 108 R HD3 . 16779 1
1091 . 1 1 108 108 ARG HG2 H 1 1.582 0.007 . . . . . . 108 R HG2 . 16779 1
1092 . 1 1 108 108 ARG HG3 H 1 1.618 0.003 . . . . . . 108 R HG3 . 16779 1
1093 . 1 1 108 108 ARG C C 13 176.204 0.003 . . . . . . 108 R CO . 16779 1
1094 . 1 1 108 108 ARG CA C 13 56.247 0.036 . . . . . . 108 R CA . 16779 1
1095 . 1 1 108 108 ARG CB C 13 30.785 0.022 . . . . . . 108 R CB . 16779 1
1096 . 1 1 108 108 ARG CD C 13 43.489 0.000 . . . . . . 108 R CD . 16779 1
1097 . 1 1 108 108 ARG CG C 13 27.231 0.000 . . . . . . 108 R CG . 16779 1
1098 . 1 1 108 108 ARG N N 15 123.848 0.025 . . . . . . 108 R N . 16779 1
1099 . 1 1 109 109 LEU H H 1 8.286 0.003 . . . . . . 109 L HN . 16779 1
1100 . 1 1 109 109 LEU HA H 1 4.340 0.004 . . . . . . 109 L HA . 16779 1
1101 . 1 1 109 109 LEU HB2 H 1 1.584 0.003 . . . . . . 109 L HB2 . 16779 1
1102 . 1 1 109 109 LEU HB3 H 1 1.683 0.004 . . . . . . 109 L HB3 . 16779 1
1103 . 1 1 109 109 LEU HD11 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1
1104 . 1 1 109 109 LEU HD12 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1
1105 . 1 1 109 109 LEU HD13 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1
1106 . 1 1 109 109 LEU HD21 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1
1107 . 1 1 109 109 LEU HD22 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1
1108 . 1 1 109 109 LEU HD23 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1
1109 . 1 1 109 109 LEU HG H 1 1.631 0.000 . . . . . . 109 L HG . 16779 1
1110 . 1 1 109 109 LEU C C 13 177.561 0.025 . . . . . . 109 L CO . 16779 1
1111 . 1 1 109 109 LEU CA C 13 55.399 0.031 . . . . . . 109 L CA . 16779 1
1112 . 1 1 109 109 LEU CB C 13 42.353 0.035 . . . . . . 109 L CB . 16779 1
1113 . 1 1 109 109 LEU CD1 C 13 24.997 0.000 . . . . . . 109 L CD1 . 16779 1
1114 . 1 1 109 109 LEU CD2 C 13 23.527 0.068 . . . . . . 109 L CD2 . 16779 1
1115 . 1 1 109 109 LEU CG C 13 26.974 0.000 . . . . . . 109 L CG . 16779 1
1116 . 1 1 109 109 LEU N N 15 123.773 0.058 . . . . . . 109 L N . 16779 1
1117 . 1 1 110 110 GLU H H 1 8.444 0.003 . . . . . . 110 E HN . 16779 1
1118 . 1 1 110 110 GLU HA H 1 4.281 0.007 . . . . . . 110 E HA . 16779 1
1119 . 1 1 110 110 GLU HB2 H 1 1.952 0.003 . . . . . . 110 E HB2 . 16779 1
1120 . 1 1 110 110 GLU HB3 H 1 2.063 0.008 . . . . . . 110 E HB3 . 16779 1
1121 . 1 1 110 110 GLU HG2 H 1 2.271 0.001 . . . . . . 110 E HG2 . 16779 1
1122 . 1 1 110 110 GLU HG3 H 1 2.273 0.006 . . . . . . 110 E HG3 . 16779 1
1123 . 1 1 110 110 GLU C C 13 176.348 0.049 . . . . . . 110 E CO . 16779 1
1124 . 1 1 110 110 GLU CA C 13 56.820 0.036 . . . . . . 110 E CA . 16779 1
1125 . 1 1 110 110 GLU CB C 13 30.264 0.040 . . . . . . 110 E CB . 16779 1
1126 . 1 1 110 110 GLU CG C 13 36.320 0.000 . . . . . . 110 E CG . 16779 1
1127 . 1 1 110 110 GLU N N 15 121.395 0.017 . . . . . . 110 E N . 16779 1
1128 . 1 1 111 111 ASN H H 1 8.437 0.004 . . . . . . 111 N HN . 16779 1
1129 . 1 1 111 111 ASN HA H 1 4.774 0.006 . . . . . . 111 N HA . 16779 1
1130 . 1 1 111 111 ASN HB2 H 1 2.786 0.005 . . . . . . 111 N HB2 . 16779 1
1131 . 1 1 111 111 ASN HB3 H 1 2.878 0.007 . . . . . . 111 N HB3 . 16779 1
1132 . 1 1 111 111 ASN HD21 H 1 7.611 0.003 . . . . . . 111 N HD21 . 16779 1
1133 . 1 1 111 111 ASN HD22 H 1 6.905 0.003 . . . . . . 111 N HD22 . 16779 1
1134 . 1 1 111 111 ASN C C 13 175.532 0.013 . . . . . . 111 N CO . 16779 1
1135 . 1 1 111 111 ASN CA C 13 53.458 0.031 . . . . . . 111 N CA . 16779 1
1136 . 1 1 111 111 ASN CB C 13 38.892 0.022 . . . . . . 111 N CB . 16779 1
1137 . 1 1 111 111 ASN N N 15 119.563 0.013 . . . . . . 111 N N . 16779 1
1138 . 1 1 111 111 ASN ND2 N 15 112.862 0.019 . . . . . . 111 N ND2 . 16779 1
1139 . 1 1 112 112 THR H H 1 8.116 0.003 . . . . . . 112 T HN . 16779 1
1140 . 1 1 112 112 THR HA H 1 4.294 0.005 . . . . . . 112 T HA . 16779 1
1141 . 1 1 112 112 THR HB H 1 4.216 0.012 . . . . . . 112 T HB . 16779 1
1142 . 1 1 112 112 THR HG21 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1
1143 . 1 1 112 112 THR HG22 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1
1144 . 1 1 112 112 THR HG23 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1
1145 . 1 1 112 112 THR C C 13 174.553 0.039 . . . . . . 112 T CO . 16779 1
1146 . 1 1 112 112 THR CA C 13 62.206 0.029 . . . . . . 112 T CA . 16779 1
1147 . 1 1 112 112 THR CB C 13 69.808 0.086 . . . . . . 112 T CB . 16779 1
1148 . 1 1 112 112 THR CG2 C 13 21.780 0.000 . . . . . . 112 T CG2 . 16779 1
1149 . 1 1 112 112 THR N N 15 114.382 0.019 . . . . . . 112 T N . 16779 1
1150 . 1 1 113 113 GLN H H 1 8.316 0.002 . . . . . . 113 Q HN . 16779 1
1151 . 1 1 113 113 GLN HA H 1 4.295 0.006 . . . . . . 113 Q HA . 16779 1
1152 . 1 1 113 113 GLN HB2 H 1 1.925 0.008 . . . . . . 113 Q HB2 . 16779 1
1153 . 1 1 113 113 GLN HB3 H 1 2.006 0.001 . . . . . . 113 Q HB3 . 16779 1
1154 . 1 1 113 113 GLN HE21 H 1 7.500 0.008 . . . . . . 113 Q HE21 . 16779 1
1155 . 1 1 113 113 GLN HE22 H 1 6.819 0.003 . . . . . . 113 Q HE22 . 16779 1
1156 . 1 1 113 113 GLN HG2 H 1 2.208 0.004 . . . . . . 113 Q HG2 . 16779 1
1157 . 1 1 113 113 GLN HG3 H 1 2.261 0.000 . . . . . . 113 Q HG3 . 16779 1
1158 . 1 1 113 113 GLN C C 13 175.651 0.004 . . . . . . 113 Q CO . 16779 1
1159 . 1 1 113 113 GLN CA C 13 55.974 0.052 . . . . . . 113 Q CA . 16779 1
1160 . 1 1 113 113 GLN CB C 13 29.315 0.039 . . . . . . 113 Q CB . 16779 1
1161 . 1 1 113 113 GLN CG C 13 33.714 0.000 . . . . . . 113 Q CG . 16779 1
1162 . 1 1 113 113 GLN N N 15 122.341 0.023 . . . . . . 113 Q N . 16779 1
1163 . 1 1 113 113 GLN NE2 N 15 112.761 0.019 . . . . . . 113 Q NE2 . 16779 1
1164 . 1 1 114 114 PHE H H 1 8.189 0.003 . . . . . . 114 F HN . 16779 1
1165 . 1 1 114 114 PHE HA H 1 4.611 0.011 . . . . . . 114 F HA . 16779 1
1166 . 1 1 114 114 PHE HB2 H 1 2.998 0.006 . . . . . . 114 F HB2 . 16779 1
1167 . 1 1 114 114 PHE HB3 H 1 3.161 0.009 . . . . . . 114 F HB3 . 16779 1
1168 . 1 1 114 114 PHE C C 13 175.380 0.037 . . . . . . 114 F CO . 16779 1
1169 . 1 1 114 114 PHE CA C 13 57.849 0.029 . . . . . . 114 F CA . 16779 1
1170 . 1 1 114 114 PHE CB C 13 39.638 0.008 . . . . . . 114 F CB . 16779 1
1171 . 1 1 114 114 PHE N N 15 121.625 0.036 . . . . . . 114 F N . 16779 1
1172 . 1 1 115 115 ASP H H 1 8.240 0.002 . . . . . . 115 D HN . 16779 1
1173 . 1 1 115 115 ASP HA H 1 4.556 0.003 . . . . . . 115 D HA . 16779 1
1174 . 1 1 115 115 ASP HB2 H 1 2.582 0.005 . . . . . . 115 D HB2 . 16779 1
1175 . 1 1 115 115 ASP HB3 H 1 2.671 0.005 . . . . . . 115 D HB3 . 16779 1
1176 . 1 1 115 115 ASP C C 13 175.864 0.052 . . . . . . 115 D CO . 16779 1
1177 . 1 1 115 115 ASP CA C 13 54.199 0.035 . . . . . . 115 D CA . 16779 1
1178 . 1 1 115 115 ASP CB C 13 41.313 0.014 . . . . . . 115 D CB . 16779 1
1179 . 1 1 115 115 ASP N N 15 122.638 0.026 . . . . . . 115 D N . 16779 1
1180 . 1 1 116 116 ALA H H 1 8.174 0.002 . . . . . . 116 A HN . 16779 1
1181 . 1 1 116 116 ALA HA H 1 4.232 0.007 . . . . . . 116 A HA . 16779 1
1182 . 1 1 116 116 ALA HB1 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1
1183 . 1 1 116 116 ALA HB2 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1
1184 . 1 1 116 116 ALA HB3 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1
1185 . 1 1 116 116 ALA C C 13 177.731 0.005 . . . . . . 116 A CO . 16779 1
1186 . 1 1 116 116 ALA CA C 13 52.817 0.041 . . . . . . 116 A CA . 16779 1
1187 . 1 1 116 116 ALA CB C 13 19.219 0.086 . . . . . . 116 A CB . 16779 1
1188 . 1 1 116 116 ALA N N 15 125.159 0.038 . . . . . . 116 A N . 16779 1
1189 . 1 1 117 117 ALA H H 1 8.261 0.002 . . . . . . 117 A HN . 16779 1
1190 . 1 1 117 117 ALA HA H 1 4.298 0.005 . . . . . . 117 A HA . 16779 1
1191 . 1 1 117 117 ALA HB1 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1
1192 . 1 1 117 117 ALA HB2 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1
1193 . 1 1 117 117 ALA HB3 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1
1194 . 1 1 117 117 ALA C C 13 177.740 0.001 . . . . . . 117 A CO . 16779 1
1195 . 1 1 117 117 ALA CA C 13 52.737 0.067 . . . . . . 117 A CA . 16779 1
1196 . 1 1 117 117 ALA CB C 13 19.037 0.031 . . . . . . 117 A CB . 16779 1
1197 . 1 1 117 117 ALA N N 15 122.762 0.034 . . . . . . 117 A N . 16779 1
1198 . 1 1 118 118 ASN H H 1 8.224 0.003 . . . . . . 118 N HN . 16779 1
1199 . 1 1 118 118 ASN HA H 1 4.713 0.006 . . . . . . 118 N HA . 16779 1
1200 . 1 1 118 118 ASN HB2 H 1 2.763 0.004 . . . . . . 118 N HB2 . 16779 1
1201 . 1 1 118 118 ASN HB3 H 1 2.844 0.007 . . . . . . 118 N HB3 . 16779 1
1202 . 1 1 118 118 ASN HD21 H 1 7.647 0.003 . . . . . . 118 N HD21 . 16779 1
1203 . 1 1 118 118 ASN HD22 H 1 6.916 0.000 . . . . . . 118 N HD22 . 16779 1
1204 . 1 1 118 118 ASN C C 13 175.744 0.015 . . . . . . 118 N CO . 16779 1
1205 . 1 1 118 118 ASN CA C 13 53.359 0.014 . . . . . . 118 N CA . 16779 1
1206 . 1 1 118 118 ASN CB C 13 39.168 0.008 . . . . . . 118 N CB . 16779 1
1207 . 1 1 118 118 ASN N N 15 117.645 0.031 . . . . . . 118 N N . 16779 1
1208 . 1 1 118 118 ASN ND2 N 15 113.417 0.001 . . . . . . 118 N ND2 . 16779 1
1209 . 1 1 119 119 GLY H H 1 8.343 0.002 . . . . . . 119 G HN . 16779 1
1210 . 1 1 119 119 GLY HA2 H 1 3.994 0.004 . . . . . . 119 G HA1 . 16779 1
1211 . 1 1 119 119 GLY HA3 H 1 3.955 0.009 . . . . . . 119 G HA2 . 16779 1
1212 . 1 1 119 119 GLY C C 13 174.079 0.000 . . . . . . 119 G CO . 16779 1
1213 . 1 1 119 119 GLY CA C 13 45.556 0.023 . . . . . . 119 G CA . 16779 1
1214 . 1 1 119 119 GLY N N 15 109.663 0.031 . . . . . . 119 G N . 16779 1
1215 . 1 1 120 120 ILE H H 1 7.984 0.001 . . . . . . 120 I HN . 16779 1
1216 . 1 1 120 120 ILE HA H 1 4.209 0.003 . . . . . . 120 I HA . 16779 1
1217 . 1 1 120 120 ILE HB H 1 1.876 0.006 . . . . . . 120 I HB . 16779 1
1218 . 1 1 120 120 ILE HD11 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1
1219 . 1 1 120 120 ILE HD12 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1
1220 . 1 1 120 120 ILE HD13 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1
1221 . 1 1 120 120 ILE HG12 H 1 1.428 0.011 . . . . . . 120 I HG12 . 16779 1
1222 . 1 1 120 120 ILE HG13 H 1 1.139 0.006 . . . . . . 120 I HG13 . 16779 1
1223 . 1 1 120 120 ILE HG21 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1
1224 . 1 1 120 120 ILE HG22 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1
1225 . 1 1 120 120 ILE HG23 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1
1226 . 1 1 120 120 ILE C C 13 175.984 0.001 . . . . . . 120 I CO . 16779 1
1227 . 1 1 120 120 ILE CA C 13 61.135 0.063 . . . . . . 120 I CA . 16779 1
1228 . 1 1 120 120 ILE CB C 13 38.893 0.026 . . . . . . 120 I CB . 16779 1
1229 . 1 1 120 120 ILE CD1 C 13 13.254 0.000 . . . . . . 120 I CD1 . 16779 1
1230 . 1 1 120 120 ILE CG1 C 13 27.154 0.000 . . . . . . 120 I CG1 . 16779 1
1231 . 1 1 120 120 ILE CG2 C 13 17.536 0.075 . . . . . . 120 I CG2 . 16779 1
1232 . 1 1 120 120 ILE N N 15 120.005 0.026 . . . . . . 120 I N . 16779 1
1233 . 1 1 121 121 ASP H H 1 8.404 0.002 . . . . . . 121 D HN . 16779 1
1234 . 1 1 121 121 ASP HA H 1 4.660 0.002 . . . . . . 121 D HA . 16779 1
1235 . 1 1 121 121 ASP HB2 H 1 2.587 0.004 . . . . . . 121 D HB2 . 16779 1
1236 . 1 1 121 121 ASP HB3 H 1 2.732 0.006 . . . . . . 121 D HB3 . 16779 1
1237 . 1 1 121 121 ASP C C 13 175.826 0.039 . . . . . . 121 D CO . 16779 1
1238 . 1 1 121 121 ASP CA C 13 54.481 0.028 . . . . . . 121 D CA . 16779 1
1239 . 1 1 121 121 ASP CB C 13 41.388 0.017 . . . . . . 121 D CB . 16779 1
1240 . 1 1 121 121 ASP N N 15 124.169 0.033 . . . . . . 121 D N . 16779 1
1241 . 1 1 122 122 ASP H H 1 8.221 0.001 . . . . . . 122 D HN . 16779 1
1242 . 1 1 122 122 ASP HA H 1 4.618 0.003 . . . . . . 122 D HA . 16779 1
1243 . 1 1 122 122 ASP HB2 H 1 2.594 0.002 . . . . . . 122 D HB2 . 16779 1
1244 . 1 1 122 122 ASP HB3 H 1 2.719 0.002 . . . . . . 122 D HB3 . 16779 1
1245 . 1 1 122 122 ASP C C 13 175.340 0.042 . . . . . . 122 D CO . 16779 1
1246 . 1 1 122 122 ASP CA C 13 54.473 0.008 . . . . . . 122 D CA . 16779 1
1247 . 1 1 122 122 ASP CB C 13 41.382 0.005 . . . . . . 122 D CB . 16779 1
1248 . 1 1 122 122 ASP N N 15 121.293 0.020 . . . . . . 122 D N . 16779 1
1249 . 1 1 123 123 GLU H H 1 7.904 0.001 . . . . . . 123 E HN . 16779 1
1250 . 1 1 123 123 GLU HA H 1 4.095 0.007 . . . . . . 123 E HA . 16779 1
1251 . 1 1 123 123 GLU C C 13 181.267 0.000 . . . . . . 123 E CO . 16779 1
1252 . 1 1 123 123 GLU CA C 13 58.187 0.000 . . . . . . 123 E CA . 16779 1
1253 . 1 1 123 123 GLU CB C 13 31.233 0.000 . . . . . . 123 E CB . 16779 1
1254 . 1 1 123 123 GLU N N 15 125.983 0.022 . . . . . . 123 E N . 16779 1
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