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 16508
_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' . . . 16508 1
2 '3D HNCA' . . . 16508 1
3 '3D HNCACB' . . . 16508 1
4 '3D HNCO' . . . 16508 1
5 '3D HN(CA)CO' . . . 16508 1
6 '3D CBCA(CO)NH' . . . 16508 1
7 '3D HNHA' . . . 16508 1
8 '3D 1H-15N NOESY' . . . 16508 1
9 '3D H(CCO)NH' . . . 16508 1
10 '3D HCCH-TOCSY' . . . 16508 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HB2 H 1 2.079 0.000 . 2 . . . . 1 M QB . 16508 1
2 . 1 1 1 1 MET HB3 H 1 2.079 0.000 . 2 . . . . 1 M QB . 16508 1
3 . 1 1 1 1 MET HE1 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1
4 . 1 1 1 1 MET HE2 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1
5 . 1 1 1 1 MET HE3 H 1 1.990 0.000 . 1 . . . . 1 M QE . 16508 1
6 . 1 1 1 1 MET HG2 H 1 2.763 0.000 . 2 . . . . 1 M HG2 . 16508 1
7 . 1 1 1 1 MET HG3 H 1 2.662 0.000 . 2 . . . . 1 M HG3 . 16508 1
8 . 1 1 1 1 MET C C 13 175.980 0.020 . 1 . . . . 1 M C . 16508 1
9 . 1 1 1 1 MET CA C 13 55.628 0.070 . 1 . . . . 1 M CA . 16508 1
10 . 1 1 1 1 MET CB C 13 32.885 0.060 . 1 . . . . 1 M CB . 16508 1
11 . 1 1 2 2 SER H H 1 8.246 0.004 . 1 . . . . 2 S H . 16508 1
12 . 1 1 2 2 SER HA H 1 4.489 0.000 . 1 . . . . 2 S HA . 16508 1
13 . 1 1 2 2 SER HB2 H 1 3.879 0.000 . 2 . . . . 2 S QB . 16508 1
14 . 1 1 2 2 SER HB3 H 1 3.879 0.000 . 2 . . . . 2 S QB . 16508 1
15 . 1 1 2 2 SER C C 13 174.287 0.001 . 1 . . . . 2 S C . 16508 1
16 . 1 1 2 2 SER CA C 13 58.299 0.034 . 1 . . . . 2 S CA . 16508 1
17 . 1 1 2 2 SER CB C 13 63.981 0.057 . 1 . . . . 2 S CB . 16508 1
18 . 1 1 2 2 SER N N 15 116.943 0.032 . 1 . . . . 2 S N . 16508 1
19 . 1 1 3 3 ALA H H 1 8.324 0.005 . 1 . . . . 3 A H . 16508 1
20 . 1 1 3 3 ALA HA H 1 4.272 0.005 . 1 . . . . 3 A HA . 16508 1
21 . 1 1 3 3 ALA HB1 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1
22 . 1 1 3 3 ALA HB2 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1
23 . 1 1 3 3 ALA HB3 H 1 1.434 0.000 . 1 . . . . 3 A QB . 16508 1
24 . 1 1 3 3 ALA C C 13 177.828 0.008 . 1 . . . . 3 A C . 16508 1
25 . 1 1 3 3 ALA CA C 13 52.860 0.046 . 1 . . . . 3 A CA . 16508 1
26 . 1 1 3 3 ALA CB C 13 19.410 0.040 . 1 . . . . 3 A CB . 16508 1
27 . 1 1 3 3 ALA N N 15 126.020 0.069 . 1 . . . . 3 A N . 16508 1
28 . 1 1 4 4 THR H H 1 7.978 0.004 . 1 . . . . 4 T H . 16508 1
29 . 1 1 4 4 THR HA H 1 4.333 0.000 . 1 . . . . 4 T HA . 16508 1
30 . 1 1 4 4 THR HB H 1 4.452 0.014 . 1 . . . . 4 T HB . 16508 1
31 . 1 1 4 4 THR C C 13 174.300 0.033 . 1 . . . . 4 T C . 16508 1
32 . 1 1 4 4 THR CA C 13 61.793 0.024 . 1 . . . . 4 T CA . 16508 1
33 . 1 1 4 4 THR CB C 13 69.904 0.053 . 1 . . . . 4 T CB . 16508 1
34 . 1 1 4 4 THR N N 15 112.495 0.037 . 1 . . . . 4 T N . 16508 1
35 . 1 1 5 5 ALA H H 1 8.103 0.003 . 1 . . . . 5 A H . 16508 1
36 . 1 1 5 5 ALA HA H 1 4.329 0.009 . 1 . . . . 5 A HA . 16508 1
37 . 1 1 5 5 ALA HB1 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1
38 . 1 1 5 5 ALA HB2 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1
39 . 1 1 5 5 ALA HB3 H 1 1.408 0.001 . 1 . . . . 5 A QB . 16508 1
40 . 1 1 5 5 ALA C C 13 177.149 0.007 . 1 . . . . 5 A C . 16508 1
41 . 1 1 5 5 ALA CA C 13 52.531 0.072 . 1 . . . . 5 A CA . 16508 1
42 . 1 1 5 5 ALA CB C 13 19.412 0.073 . 1 . . . . 5 A CB . 16508 1
43 . 1 1 5 5 ALA N N 15 126.096 0.028 . 1 . . . . 5 A N . 16508 1
44 . 1 1 6 6 ALA H H 1 8.118 0.004 . 1 . . . . 6 A H . 16508 1
45 . 1 1 6 6 ALA HA H 1 4.380 0.005 . 1 . . . . 6 A HA . 16508 1
46 . 1 1 6 6 ALA HB1 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1
47 . 1 1 6 6 ALA HB2 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1
48 . 1 1 6 6 ALA HB3 H 1 1.404 0.000 . 1 . . . . 6 A QB . 16508 1
49 . 1 1 6 6 ALA C C 13 177.752 0.010 . 1 . . . . 6 A C . 16508 1
50 . 1 1 6 6 ALA CA C 13 52.525 0.045 . 1 . . . . 6 A CA . 16508 1
51 . 1 1 6 6 ALA CB C 13 19.401 0.062 . 1 . . . . 6 A CB . 16508 1
52 . 1 1 6 6 ALA N N 15 122.896 0.061 . 1 . . . . 6 A N . 16508 1
53 . 1 1 7 7 THR H H 1 7.984 0.003 . 1 . . . . 7 T H . 16508 1
54 . 1 1 7 7 THR HA H 1 4.350 0.015 . 1 . . . . 7 T HA . 16508 1
55 . 1 1 7 7 THR HB H 1 4.021 0.000 . 1 . . . . 7 T HB . 16508 1
56 . 1 1 7 7 THR C C 13 174.205 0.002 . 1 . . . . 7 T C . 16508 1
57 . 1 1 7 7 THR CA C 13 61.801 0.039 . 1 . . . . 7 T CA . 16508 1
58 . 1 1 7 7 THR CB C 13 69.967 0.045 . 1 . . . . 7 T CB . 16508 1
59 . 1 1 7 7 THR N N 15 113.406 0.032 . 1 . . . . 7 T N . 16508 1
60 . 1 1 8 8 VAL H H 1 7.982 0.004 . 1 . . . . 8 V H . 16508 1
61 . 1 1 8 8 VAL HA H 1 4.464 0.008 . 1 . . . . 8 V HA . 16508 1
62 . 1 1 8 8 VAL HB H 1 2.078 0.000 . 1 . . . . 8 V HB . 16508 1
63 . 1 1 8 8 VAL HG11 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
64 . 1 1 8 8 VAL HG12 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
65 . 1 1 8 8 VAL HG13 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
66 . 1 1 8 8 VAL HG21 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
67 . 1 1 8 8 VAL HG22 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
68 . 1 1 8 8 VAL HG23 H 1 0.947 0.000 . 1 . . . . 8 V QQG . 16508 1
69 . 1 1 8 8 VAL C C 13 173.910 0.000 . 1 . . . . 8 V C . 16508 1
70 . 1 1 8 8 VAL CA C 13 59.735 0.040 . 1 . . . . 8 V CA . 16508 1
71 . 1 1 8 8 VAL CB C 13 32.762 0.015 . 1 . . . . 8 V CB . 16508 1
72 . 1 1 8 8 VAL N N 15 123.576 0.043 . 1 . . . . 8 V N . 16508 1
73 . 1 1 10 10 PRO HA H 1 4.425 0.008 . 1 . . . . 10 P HA . 16508 1
74 . 1 1 10 10 PRO HB2 H 1 2.289 0.000 . 2 . . . . 10 P HB2 . 16508 1
75 . 1 1 10 10 PRO HB3 H 1 2.045 0.000 . 2 . . . . 10 P HB3 . 16508 1
76 . 1 1 10 10 PRO HG2 H 1 1.907 0.013 . 2 . . . . 10 P QG . 16508 1
77 . 1 1 10 10 PRO HG3 H 1 1.907 0.013 . 2 . . . . 10 P QG . 16508 1
78 . 1 1 10 10 PRO C C 13 176.522 0.007 . 1 . . . . 10 P C . 16508 1
79 . 1 1 10 10 PRO CA C 13 62.877 0.026 . 1 . . . . 10 P CA . 16508 1
80 . 1 1 10 10 PRO CB C 13 32.062 0.058 . 1 . . . . 10 P CB . 16508 1
81 . 1 1 10 10 PRO CD C 13 50.597 0.000 . 1 . . . . 10 P CD . 16508 1
82 . 1 1 10 10 PRO CG C 13 27.496 0.000 . 1 . . . . 10 P CG . 16508 1
83 . 1 1 11 11 ALA H H 1 8.128 0.003 . 1 . . . . 11 A H . 16508 1
84 . 1 1 11 11 ALA HA H 1 4.291 0.004 . 1 . . . . 11 A HA . 16508 1
85 . 1 1 11 11 ALA C C 13 177.018 0.018 . 1 . . . . 11 A C . 16508 1
86 . 1 1 11 11 ALA CA C 13 52.140 0.038 . 1 . . . . 11 A CA . 16508 1
87 . 1 1 11 11 ALA CB C 13 19.445 0.046 . 1 . . . . 11 A CB . 16508 1
88 . 1 1 11 11 ALA N N 15 123.897 0.065 . 1 . . . . 11 A N . 16508 1
89 . 1 1 12 12 ALA H H 1 8.101 0.003 . 1 . . . . 12 A H . 16508 1
90 . 1 1 12 12 ALA HA H 1 4.594 0.002 . 1 . . . . 12 A HA . 16508 1
91 . 1 1 12 12 ALA HB1 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1
92 . 1 1 12 12 ALA HB2 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1
93 . 1 1 12 12 ALA HB3 H 1 1.356 0.003 . 1 . . . . 12 A QB . 16508 1
94 . 1 1 12 12 ALA C C 13 175.467 0.000 . 1 . . . . 12 A C . 16508 1
95 . 1 1 12 12 ALA CA C 13 50.334 0.015 . 1 . . . . 12 A CA . 16508 1
96 . 1 1 12 12 ALA CB C 13 18.395 0.029 . 1 . . . . 12 A CB . 16508 1
97 . 1 1 12 12 ALA N N 15 124.330 0.040 . 1 . . . . 12 A N . 16508 1
98 . 1 1 13 13 PRO HA H 1 4.401 0.001 . 1 . . . . 13 P HA . 16508 1
99 . 1 1 13 13 PRO HB2 H 1 2.293 0.000 . 2 . . . . 13 P HB2 . 16508 1
100 . 1 1 13 13 PRO HB3 H 1 2.033 0.000 . 2 . . . . 13 P HB3 . 16508 1
101 . 1 1 13 13 PRO HD2 H 1 3.817 0.000 . 2 . . . . 13 P QD . 16508 1
102 . 1 1 13 13 PRO HD3 H 1 3.817 0.000 . 2 . . . . 13 P QD . 16508 1
103 . 1 1 13 13 PRO HG2 H 1 1.920 0.000 . 2 . . . . 13 P QG . 16508 1
104 . 1 1 13 13 PRO HG3 H 1 1.920 0.000 . 2 . . . . 13 P QG . 16508 1
105 . 1 1 13 13 PRO C C 13 176.736 0.011 . 1 . . . . 13 P C . 16508 1
106 . 1 1 13 13 PRO CA C 13 63.115 0.057 . 1 . . . . 13 P CA . 16508 1
107 . 1 1 13 13 PRO CB C 13 32.023 0.046 . 1 . . . . 13 P CB . 16508 1
108 . 1 1 13 13 PRO CD C 13 50.618 0.000 . 1 . . . . 13 P CD . 16508 1
109 . 1 1 13 13 PRO CG C 13 27.421 0.000 . 1 . . . . 13 P CG . 16508 1
110 . 1 1 14 14 ALA H H 1 8.289 0.004 . 1 . . . . 14 A H . 16508 1
111 . 1 1 14 14 ALA HA H 1 4.324 0.019 . 1 . . . . 14 A HA . 16508 1
112 . 1 1 14 14 ALA HB1 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1
113 . 1 1 14 14 ALA HB2 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1
114 . 1 1 14 14 ALA HB3 H 1 1.399 0.012 . 1 . . . . 14 A QB . 16508 1
115 . 1 1 14 14 ALA C C 13 178.262 0.004 . 1 . . . . 14 A C . 16508 1
116 . 1 1 14 14 ALA CA C 13 52.609 0.045 . 1 . . . . 14 A CA . 16508 1
117 . 1 1 14 14 ALA CB C 13 19.401 0.036 . 1 . . . . 14 A CB . 16508 1
118 . 1 1 14 14 ALA N N 15 124.170 0.045 . 1 . . . . 14 A N . 16508 1
119 . 1 1 15 15 GLY H H 1 8.225 0.004 . 1 . . . . 15 G H . 16508 1
120 . 1 1 15 15 GLY HA2 H 1 3.978 0.008 . 2 . . . . 15 G QA . 16508 1
121 . 1 1 15 15 GLY HA3 H 1 3.978 0.008 . 2 . . . . 15 G QA . 16508 1
122 . 1 1 15 15 GLY C C 13 174.231 0.005 . 1 . . . . 15 G C . 16508 1
123 . 1 1 15 15 GLY CA C 13 45.343 0.017 . 1 . . . . 15 G CA . 16508 1
124 . 1 1 15 15 GLY N N 15 107.979 0.031 . 1 . . . . 15 G N . 16508 1
125 . 1 1 16 16 GLU H H 1 8.223 0.004 . 1 . . . . 16 E H . 16508 1
126 . 1 1 16 16 GLU HA H 1 4.345 0.006 . 1 . . . . 16 E HA . 16508 1
127 . 1 1 16 16 GLU C C 13 177.011 0.008 . 1 . . . . 16 E C . 16508 1
128 . 1 1 16 16 GLU CA C 13 56.701 0.035 . 1 . . . . 16 E CA . 16508 1
129 . 1 1 16 16 GLU CB C 13 30.395 0.024 . 1 . . . . 16 E CB . 16508 1
130 . 1 1 16 16 GLU N N 15 120.555 0.031 . 1 . . . . 16 E N . 16508 1
131 . 1 1 17 17 GLY H H 1 8.394 0.003 . 1 . . . . 17 G H . 16508 1
132 . 1 1 17 17 GLY HA2 H 1 3.986 0.004 . 2 . . . . 17 G QA . 16508 1
133 . 1 1 17 17 GLY HA3 H 1 3.986 0.004 . 2 . . . . 17 G QA . 16508 1
134 . 1 1 17 17 GLY C C 13 174.293 0.007 . 1 . . . . 17 G C . 16508 1
135 . 1 1 17 17 GLY CA C 13 45.337 0.017 . 1 . . . . 17 G CA . 16508 1
136 . 1 1 17 17 GLY N N 15 109.767 0.026 . 1 . . . . 17 G N . 16508 1
137 . 1 1 18 18 GLY H H 1 7.987 0.003 . 1 . . . . 18 G H . 16508 1
138 . 1 1 18 18 GLY HA2 H 1 4.173 0.016 . 2 . . . . 18 G HA2 . 16508 1
139 . 1 1 18 18 GLY HA3 H 1 4.042 0.016 . 2 . . . . 18 G HA3 . 16508 1
140 . 1 1 18 18 GLY C C 13 171.207 0.000 . 1 . . . . 18 G C . 16508 1
141 . 1 1 18 18 GLY CA C 13 44.441 0.025 . 1 . . . . 18 G CA . 16508 1
142 . 1 1 18 18 GLY N N 15 108.711 0.031 . 1 . . . . 18 G N . 16508 1
143 . 1 1 19 19 PRO HD2 H 1 3.656 0.000 . 2 . . . . 19 P QD . 16508 1
144 . 1 1 19 19 PRO HD3 H 1 3.656 0.000 . 2 . . . . 19 P QD . 16508 1
145 . 1 1 20 20 PRO HA H 1 4.427 0.002 . 1 . . . . 20 P HA . 16508 1
146 . 1 1 20 20 PRO HB2 H 1 2.265 0.000 . 2 . . . . 20 P HB2 . 16508 1
147 . 1 1 20 20 PRO HB3 H 1 2.024 0.000 . 2 . . . . 20 P HB3 . 16508 1
148 . 1 1 20 20 PRO HG2 H 1 1.914 0.000 . 2 . . . . 20 P QG . 16508 1
149 . 1 1 20 20 PRO HG3 H 1 1.914 0.000 . 2 . . . . 20 P QG . 16508 1
150 . 1 1 20 20 PRO C C 13 176.291 0.020 . 1 . . . . 20 P C . 16508 1
151 . 1 1 20 20 PRO CA C 13 62.898 0.018 . 1 . . . . 20 P CA . 16508 1
152 . 1 1 20 20 PRO CB C 13 31.955 0.074 . 1 . . . . 20 P CB . 16508 1
153 . 1 1 20 20 PRO CG C 13 27.487 0.000 . 1 . . . . 20 P CG . 16508 1
154 . 1 1 21 21 ALA H H 1 8.163 0.003 . 1 . . . . 21 A H . 16508 1
155 . 1 1 21 21 ALA HA H 1 4.587 0.001 . 1 . . . . 21 A HA . 16508 1
156 . 1 1 21 21 ALA HB1 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1
157 . 1 1 21 21 ALA HB2 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1
158 . 1 1 21 21 ALA HB3 H 1 1.343 0.000 . 1 . . . . 21 A QB . 16508 1
159 . 1 1 21 21 ALA C C 13 175.015 0.000 . 1 . . . . 21 A C . 16508 1
160 . 1 1 21 21 ALA CA C 13 50.218 0.012 . 1 . . . . 21 A CA . 16508 1
161 . 1 1 21 21 ALA CB C 13 18.357 0.025 . 1 . . . . 21 A CB . 16508 1
162 . 1 1 21 21 ALA N N 15 125.104 0.060 . 1 . . . . 21 A N . 16508 1
163 . 1 1 24 24 PRO HB2 H 1 2.268 0.000 . 2 . . . . 24 P QB . 16508 1
164 . 1 1 24 24 PRO HB3 H 1 2.268 0.000 . 2 . . . . 24 P QB . 16508 1
165 . 1 1 24 24 PRO C C 13 176.644 0.008 . 1 . . . . 24 P C . 16508 1
166 . 1 1 24 24 PRO CA C 13 63.229 0.010 . 1 . . . . 24 P CA . 16508 1
167 . 1 1 24 24 PRO CB C 13 31.923 0.037 . 1 . . . . 24 P CB . 16508 1
168 . 1 1 25 25 ASN H H 1 8.316 0.003 . 1 . . . . 25 N H . 16508 1
169 . 1 1 25 25 ASN HA H 1 4.678 0.005 . 1 . . . . 25 N HA . 16508 1
170 . 1 1 25 25 ASN HB2 H 1 2.846 0.014 . 2 . . . . 25 N QB . 16508 1
171 . 1 1 25 25 ASN HB3 H 1 2.846 0.014 . 2 . . . . 25 N QB . 16508 1
172 . 1 1 25 25 ASN C C 13 175.323 0.019 . 1 . . . . 25 N C . 16508 1
173 . 1 1 25 25 ASN CA C 13 53.298 0.038 . 1 . . . . 25 N CA . 16508 1
174 . 1 1 25 25 ASN CB C 13 38.781 0.070 . 1 . . . . 25 N CB . 16508 1
175 . 1 1 25 25 ASN N N 15 117.577 0.042 . 1 . . . . 25 N N . 16508 1
176 . 1 1 26 26 LEU H H 1 8.182 0.003 . 1 . . . . 26 L H . 16508 1
177 . 1 1 26 26 LEU HA H 1 4.421 0.012 . 1 . . . . 26 L HA . 16508 1
178 . 1 1 26 26 LEU C C 13 177.605 0.017 . 1 . . . . 26 L C . 16508 1
179 . 1 1 26 26 LEU CA C 13 55.680 0.115 . 1 . . . . 26 L CA . 16508 1
180 . 1 1 26 26 LEU CB C 13 42.590 0.059 . 1 . . . . 26 L CB . 16508 1
181 . 1 1 26 26 LEU N N 15 122.443 0.035 . 1 . . . . 26 L N . 16508 1
182 . 1 1 27 27 THR H H 1 7.993 0.004 . 1 . . . . 27 T H . 16508 1
183 . 1 1 27 27 THR HA H 1 4.333 0.014 . 1 . . . . 27 T HA . 16508 1
184 . 1 1 27 27 THR HB H 1 4.176 0.000 . 1 . . . . 27 T HB . 16508 1
185 . 1 1 27 27 THR HG21 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1
186 . 1 1 27 27 THR HG22 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1
187 . 1 1 27 27 THR HG23 H 1 1.215 0.000 . 1 . . . . 27 T QG2 . 16508 1
188 . 1 1 27 27 THR C C 13 174.762 0.001 . 1 . . . . 27 T C . 16508 1
189 . 1 1 27 27 THR CA C 13 62.184 0.068 . 1 . . . . 27 T CA . 16508 1
190 . 1 1 27 27 THR CB C 13 69.793 0.070 . 1 . . . . 27 T CB . 16508 1
191 . 1 1 27 27 THR N N 15 112.888 0.096 . 1 . . . . 27 T N . 16508 1
192 . 1 1 28 28 SER H H 1 8.125 0.006 . 1 . . . . 28 S H . 16508 1
193 . 1 1 28 28 SER HA H 1 4.450 0.006 . 1 . . . . 28 S HA . 16508 1
194 . 1 1 28 28 SER HB2 H 1 3.888 0.001 . 2 . . . . 28 S QB . 16508 1
195 . 1 1 28 28 SER HB3 H 1 3.888 0.001 . 2 . . . . 28 S QB . 16508 1
196 . 1 1 28 28 SER C C 13 174.435 0.014 . 1 . . . . 28 S C . 16508 1
197 . 1 1 28 28 SER CA C 13 58.631 0.057 . 1 . . . . 28 S CA . 16508 1
198 . 1 1 28 28 SER CB C 13 63.949 0.088 . 1 . . . . 28 S CB . 16508 1
199 . 1 1 28 28 SER N N 15 117.153 0.085 . 1 . . . . 28 S N . 16508 1
200 . 1 1 29 29 ASN H H 1 8.316 0.005 . 1 . . . . 29 N H . 16508 1
201 . 1 1 29 29 ASN C C 13 175.372 0.046 . 1 . . . . 29 N C . 16508 1
202 . 1 1 29 29 ASN CA C 13 53.699 0.022 . 1 . . . . 29 N CA . 16508 1
203 . 1 1 29 29 ASN CB C 13 38.872 0.049 . 1 . . . . 29 N CB . 16508 1
204 . 1 1 29 29 ASN N N 15 120.610 0.041 . 1 . . . . 29 N N . 16508 1
205 . 1 1 30 30 ARG H H 1 8.200 0.005 . 1 . . . . 30 R H . 16508 1
206 . 1 1 30 30 ARG HA H 1 4.447 0.016 . 1 . . . . 30 R HA . 16508 1
207 . 1 1 30 30 ARG HB2 H 1 1.802 0.000 . 2 . . . . 30 R QB . 16508 1
208 . 1 1 30 30 ARG HB3 H 1 1.802 0.000 . 2 . . . . 30 R QB . 16508 1
209 . 1 1 30 30 ARG HG2 H 1 1.663 0.001 . 2 . . . . 30 R QG . 16508 1
210 . 1 1 30 30 ARG HG3 H 1 1.663 0.001 . 2 . . . . 30 R QG . 16508 1
211 . 1 1 30 30 ARG C C 13 176.529 0.002 . 1 . . . . 30 R C . 16508 1
212 . 1 1 30 30 ARG CA C 13 56.797 0.017 . 1 . . . . 30 R CA . 16508 1
213 . 1 1 30 30 ARG CB C 13 30.599 0.011 . 1 . . . . 30 R CB . 16508 1
214 . 1 1 30 30 ARG N N 15 121.313 0.080 . 1 . . . . 30 R N . 16508 1
215 . 1 1 31 31 ARG H H 1 8.248 0.003 . 1 . . . . 31 R H . 16508 1
216 . 1 1 31 31 ARG HA H 1 4.287 0.005 . 1 . . . . 31 R HA . 16508 1
217 . 1 1 31 31 ARG HB2 H 1 1.852 0.000 . 2 . . . . 31 R QB . 16508 1
218 . 1 1 31 31 ARG HB3 H 1 1.852 0.000 . 2 . . . . 31 R QB . 16508 1
219 . 1 1 31 31 ARG HG2 H 1 1.661 0.002 . 2 . . . . 31 R QG . 16508 1
220 . 1 1 31 31 ARG HG3 H 1 1.661 0.002 . 2 . . . . 31 R QG . 16508 1
221 . 1 1 31 31 ARG C C 13 176.923 0.016 . 1 . . . . 31 R C . 16508 1
222 . 1 1 31 31 ARG CA C 13 56.904 0.030 . 1 . . . . 31 R CA . 16508 1
223 . 1 1 31 31 ARG CB C 13 30.602 0.028 . 1 . . . . 31 R CB . 16508 1
224 . 1 1 31 31 ARG N N 15 120.954 0.042 . 1 . . . . 31 R N . 16508 1
225 . 1 1 32 32 LEU H H 1 8.196 0.004 . 1 . . . . 32 L H . 16508 1
226 . 1 1 32 32 LEU HA H 1 4.295 0.017 . 1 . . . . 32 L HA . 16508 1
227 . 1 1 32 32 LEU HB2 H 1 1.858 0.000 . 2 . . . . 32 L QB . 16508 1
228 . 1 1 32 32 LEU HB3 H 1 1.858 0.000 . 2 . . . . 32 L QB . 16508 1
229 . 1 1 32 32 LEU HD11 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
230 . 1 1 32 32 LEU HD12 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
231 . 1 1 32 32 LEU HD13 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
232 . 1 1 32 32 LEU HD21 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
233 . 1 1 32 32 LEU HD22 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
234 . 1 1 32 32 LEU HD23 H 1 0.901 0.004 . 1 . . . . 32 L QQD . 16508 1
235 . 1 1 32 32 LEU HG H 1 1.656 0.009 . 1 . . . . 32 L HG . 16508 1
236 . 1 1 32 32 LEU C C 13 177.501 0.043 . 1 . . . . 32 L C . 16508 1
237 . 1 1 32 32 LEU CA C 13 56.092 0.051 . 1 . . . . 32 L CA . 16508 1
238 . 1 1 32 32 LEU CB C 13 42.067 0.031 . 1 . . . . 32 L CB . 16508 1
239 . 1 1 32 32 LEU CD1 C 13 25.041 0.000 . 2 . . . . 32 L CD1 . 16508 1
240 . 1 1 32 32 LEU CD2 C 13 23.669 0.000 . 2 . . . . 32 L CD2 . 16508 1
241 . 1 1 32 32 LEU CG C 13 27.169 0.000 . 1 . . . . 32 L CG . 16508 1
242 . 1 1 32 32 LEU N N 15 121.777 0.100 . 1 . . . . 32 L N . 16508 1
243 . 1 1 33 33 GLN H H 1 8.187 0.003 . 1 . . . . 33 Q H . 16508 1
244 . 1 1 33 33 GLN HA H 1 4.284 0.004 . 1 . . . . 33 Q HA . 16508 1
245 . 1 1 33 33 GLN HB2 H 1 2.083 0.000 . 2 . . . . 33 Q QB . 16508 1
246 . 1 1 33 33 GLN HB3 H 1 2.083 0.000 . 2 . . . . 33 Q QB . 16508 1
247 . 1 1 33 33 GLN HG2 H 1 2.400 0.004 . 2 . . . . 33 Q QG . 16508 1
248 . 1 1 33 33 GLN HG3 H 1 2.400 0.004 . 2 . . . . 33 Q QG . 16508 1
249 . 1 1 33 33 GLN C C 13 176.584 0.022 . 1 . . . . 33 Q C . 16508 1
250 . 1 1 33 33 GLN CA C 13 56.787 0.067 . 1 . . . . 33 Q CA . 16508 1
251 . 1 1 33 33 GLN CB C 13 29.333 0.046 . 1 . . . . 33 Q CB . 16508 1
252 . 1 1 33 33 GLN CG C 13 33.888 0.000 . 1 . . . . 33 Q CG . 16508 1
253 . 1 1 33 33 GLN N N 15 119.912 0.137 . 1 . . . . 33 Q N . 16508 1
254 . 1 1 34 34 GLN H H 1 8.291 0.004 . 1 . . . . 34 Q H . 16508 1
255 . 1 1 34 34 GLN HA H 1 4.356 0.013 . 1 . . . . 34 Q HA . 16508 1
256 . 1 1 34 34 GLN HB2 H 1 2.090 0.001 . 2 . . . . 34 Q QB . 16508 1
257 . 1 1 34 34 GLN HB3 H 1 2.090 0.001 . 2 . . . . 34 Q QB . 16508 1
258 . 1 1 34 34 GLN HG2 H 1 2.401 0.000 . 2 . . . . 34 Q QG . 16508 1
259 . 1 1 34 34 GLN HG3 H 1 2.401 0.000 . 2 . . . . 34 Q QG . 16508 1
260 . 1 1 34 34 GLN C C 13 176.638 0.013 . 1 . . . . 34 Q C . 16508 1
261 . 1 1 34 34 GLN CA C 13 56.761 0.045 . 1 . . . . 34 Q CA . 16508 1
262 . 1 1 34 34 GLN CB C 13 29.356 0.036 . 1 . . . . 34 Q CB . 16508 1
263 . 1 1 34 34 GLN N N 15 120.285 0.048 . 1 . . . . 34 Q N . 16508 1
264 . 1 1 35 35 THR H H 1 8.058 0.003 . 1 . . . . 35 T H . 16508 1
265 . 1 1 35 35 THR HA H 1 4.318 0.000 . 1 . . . . 35 T HA . 16508 1
266 . 1 1 35 35 THR HB H 1 4.277 0.001 . 1 . . . . 35 T HB . 16508 1
267 . 1 1 35 35 THR HG21 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1
268 . 1 1 35 35 THR HG22 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1
269 . 1 1 35 35 THR HG23 H 1 1.223 0.002 . 1 . . . . 35 T QG2 . 16508 1
270 . 1 1 35 35 THR C C 13 174.992 0.014 . 1 . . . . 35 T C . 16508 1
271 . 1 1 35 35 THR CA C 13 63.323 0.012 . 1 . . . . 35 T CA . 16508 1
272 . 1 1 35 35 THR CB C 13 69.586 0.050 . 1 . . . . 35 T CB . 16508 1
273 . 1 1 35 35 THR N N 15 114.979 0.049 . 1 . . . . 35 T N . 16508 1
274 . 1 1 36 36 GLN H H 1 8.375 0.004 . 1 . . . . 36 Q H . 16508 1
275 . 1 1 36 36 GLN HA H 1 4.163 0.002 . 1 . . . . 36 Q HA . 16508 1
276 . 1 1 36 36 GLN HB2 H 1 2.119 0.010 . 2 . . . . 36 Q QB . 16508 1
277 . 1 1 36 36 GLN HB3 H 1 2.119 0.010 . 2 . . . . 36 Q QB . 16508 1
278 . 1 1 36 36 GLN HG2 H 1 2.389 0.004 . 2 . . . . 36 Q QG . 16508 1
279 . 1 1 36 36 GLN HG3 H 1 2.389 0.004 . 2 . . . . 36 Q QG . 16508 1
280 . 1 1 36 36 GLN C C 13 176.172 0.003 . 1 . . . . 36 Q C . 16508 1
281 . 1 1 36 36 GLN CA C 13 57.223 0.028 . 1 . . . . 36 Q CA . 16508 1
282 . 1 1 36 36 GLN CB C 13 29.260 0.106 . 1 . . . . 36 Q CB . 16508 1
283 . 1 1 36 36 GLN N N 15 121.819 0.028 . 1 . . . . 36 Q N . 16508 1
284 . 1 1 37 37 ALA H H 1 8.124 0.002 . 1 . . . . 37 A H . 16508 1
285 . 1 1 37 37 ALA HA H 1 4.298 0.005 . 1 . . . . 37 A HA . 16508 1
286 . 1 1 37 37 ALA HB1 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1
287 . 1 1 37 37 ALA HB2 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1
288 . 1 1 37 37 ALA HB3 H 1 1.434 0.005 . 1 . . . . 37 A QB . 16508 1
289 . 1 1 37 37 ALA C C 13 178.560 0.038 . 1 . . . . 37 A C . 16508 1
290 . 1 1 37 37 ALA CA C 13 53.506 0.030 . 1 . . . . 37 A CA . 16508 1
291 . 1 1 37 37 ALA CB C 13 18.979 0.076 . 1 . . . . 37 A CB . 16508 1
292 . 1 1 37 37 ALA N N 15 122.872 0.065 . 1 . . . . 37 A N . 16508 1
293 . 1 1 38 38 GLN H H 1 8.112 0.005 . 1 . . . . 38 Q H . 16508 1
294 . 1 1 38 38 GLN HA H 1 4.299 0.013 . 1 . . . . 38 Q HA . 16508 1
295 . 1 1 38 38 GLN HB2 H 1 2.154 0.002 . 2 . . . . 38 Q QB . 16508 1
296 . 1 1 38 38 GLN HB3 H 1 2.154 0.002 . 2 . . . . 38 Q QB . 16508 1
297 . 1 1 38 38 GLN HG2 H 1 2.420 0.000 . 2 . . . . 38 Q QG . 16508 1
298 . 1 1 38 38 GLN HG3 H 1 2.420 0.000 . 2 . . . . 38 Q QG . 16508 1
299 . 1 1 38 38 GLN C C 13 177.302 0.043 . 1 . . . . 38 Q C . 16508 1
300 . 1 1 38 38 GLN CA C 13 57.323 0.020 . 1 . . . . 38 Q CA . 16508 1
301 . 1 1 38 38 GLN CB C 13 29.405 0.002 . 1 . . . . 38 Q CB . 16508 1
302 . 1 1 38 38 GLN N N 15 118.619 0.045 . 1 . . . . 38 Q N . 16508 1
303 . 1 1 39 39 VAL H H 1 8.166 0.004 . 1 . . . . 39 V H . 16508 1
304 . 1 1 39 39 VAL HA H 1 3.806 0.001 . 1 . . . . 39 V HA . 16508 1
305 . 1 1 39 39 VAL HB H 1 2.180 0.000 . 1 . . . . 39 V HB . 16508 1
306 . 1 1 39 39 VAL HG11 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
307 . 1 1 39 39 VAL HG12 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
308 . 1 1 39 39 VAL HG13 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
309 . 1 1 39 39 VAL HG21 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
310 . 1 1 39 39 VAL HG22 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
311 . 1 1 39 39 VAL HG23 H 1 0.993 0.002 . 1 . . . . 39 V QQG . 16508 1
312 . 1 1 39 39 VAL C C 13 177.256 0.000 . 1 . . . . 39 V C . 16508 1
313 . 1 1 39 39 VAL CA C 13 65.169 0.008 . 1 . . . . 39 V CA . 16508 1
314 . 1 1 39 39 VAL CB C 13 32.292 0.022 . 1 . . . . 39 V CB . 16508 1
315 . 1 1 39 39 VAL N N 15 119.785 0.101 . 1 . . . . 39 V N . 16508 1
316 . 1 1 40 40 ASP HA H 1 4.245 0.000 . 1 . . . . 40 D HA . 16508 1
317 . 1 1 40 40 ASP C C 13 177.718 0.000 . 1 . . . . 40 D C . 16508 1
318 . 1 1 40 40 ASP CA C 13 56.597 0.025 . 1 . . . . 40 D CA . 16508 1
319 . 1 1 40 40 ASP CB C 13 40.982 0.000 . 1 . . . . 40 D CB . 16508 1
320 . 1 1 41 41 GLU H H 1 7.892 0.007 . 1 . . . . 41 E H . 16508 1
321 . 1 1 41 41 GLU HA H 1 4.421 0.013 . 1 . . . . 41 E HA . 16508 1
322 . 1 1 41 41 GLU HB2 H 1 2.144 0.000 . 2 . . . . 41 E QB . 16508 1
323 . 1 1 41 41 GLU HB3 H 1 2.144 0.000 . 2 . . . . 41 E QB . 16508 1
324 . 1 1 41 41 GLU HG2 H 1 2.387 0.000 . 2 . . . . 41 E QG . 16508 1
325 . 1 1 41 41 GLU HG3 H 1 2.387 0.000 . 2 . . . . 41 E QG . 16508 1
326 . 1 1 41 41 GLU C C 13 178.055 0.000 . 1 . . . . 41 E C . 16508 1
327 . 1 1 41 41 GLU CA C 13 58.384 0.075 . 1 . . . . 41 E CA . 16508 1
328 . 1 1 41 41 GLU CB C 13 29.918 0.007 . 1 . . . . 41 E CB . 16508 1
329 . 1 1 41 41 GLU N N 15 119.302 0.034 . 1 . . . . 41 E N . 16508 1
330 . 1 1 42 42 VAL H H 1 7.926 0.007 . 1 . . . . 42 V H . 16508 1
331 . 1 1 42 42 VAL HA H 1 3.815 0.008 . 1 . . . . 42 V HA . 16508 1
332 . 1 1 42 42 VAL HB H 1 2.256 0.000 . 1 . . . . 42 V HB . 16508 1
333 . 1 1 42 42 VAL HG11 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
334 . 1 1 42 42 VAL HG12 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
335 . 1 1 42 42 VAL HG13 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
336 . 1 1 42 42 VAL HG21 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
337 . 1 1 42 42 VAL HG22 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
338 . 1 1 42 42 VAL HG23 H 1 1.063 0.000 . 1 . . . . 42 V QQG . 16508 1
339 . 1 1 42 42 VAL C C 13 177.213 0.017 . 1 . . . . 42 V C . 16508 1
340 . 1 1 42 42 VAL CA C 13 65.513 0.063 . 1 . . . . 42 V CA . 16508 1
341 . 1 1 42 42 VAL CB C 13 31.776 0.000 . 1 . . . . 42 V CB . 16508 1
342 . 1 1 42 42 VAL N N 15 119.388 0.060 . 1 . . . . 42 V N . 16508 1
343 . 1 1 43 43 VAL H H 1 8.265 0.007 . 1 . . . . 43 V H . 16508 1
344 . 1 1 43 43 VAL HA H 1 3.716 0.010 . 1 . . . . 43 V HA . 16508 1
345 . 1 1 43 43 VAL HB H 1 2.202 0.008 . 1 . . . . 43 V HB . 16508 1
346 . 1 1 43 43 VAL HG11 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
347 . 1 1 43 43 VAL HG12 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
348 . 1 1 43 43 VAL HG13 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
349 . 1 1 43 43 VAL HG21 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
350 . 1 1 43 43 VAL HG22 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
351 . 1 1 43 43 VAL HG23 H 1 1.035 0.007 . 1 . . . . 43 V QQG . 16508 1
352 . 1 1 43 43 VAL C C 13 177.069 0.011 . 1 . . . . 43 V C . 16508 1
353 . 1 1 43 43 VAL CA C 13 65.942 0.087 . 1 . . . . 43 V CA . 16508 1
354 . 1 1 43 43 VAL CB C 13 29.831 0.000 . 1 . . . . 43 V CB . 16508 1
355 . 1 1 43 43 VAL N N 15 120.486 0.045 . 1 . . . . 43 V N . 16508 1
356 . 1 1 44 44 ASP H H 1 7.994 0.004 . 1 . . . . 44 D H . 16508 1
357 . 1 1 44 44 ASP HA H 1 4.549 0.010 . 1 . . . . 44 D HA . 16508 1
358 . 1 1 44 44 ASP HB2 H 1 2.736 0.009 . 2 . . . . 44 D QB . 16508 1
359 . 1 1 44 44 ASP HB3 H 1 2.736 0.009 . 2 . . . . 44 D QB . 16508 1
360 . 1 1 44 44 ASP C C 13 177.995 0.018 . 1 . . . . 44 D C . 16508 1
361 . 1 1 44 44 ASP CA C 13 56.900 0.037 . 1 . . . . 44 D CA . 16508 1
362 . 1 1 44 44 ASP CB C 13 41.272 0.028 . 1 . . . . 44 D CB . 16508 1
363 . 1 1 44 44 ASP N N 15 120.549 0.081 . 1 . . . . 44 D N . 16508 1
364 . 1 1 45 45 ILE H H 1 7.902 0.007 . 1 . . . . 45 I H . 16508 1
365 . 1 1 45 45 ILE HA H 1 3.903 0.011 . 1 . . . . 45 I HA . 16508 1
366 . 1 1 45 45 ILE HB H 1 2.025 0.000 . 1 . . . . 45 I HB . 16508 1
367 . 1 1 45 45 ILE HD11 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1
368 . 1 1 45 45 ILE HD12 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1
369 . 1 1 45 45 ILE HD13 H 1 0.963 0.009 . 1 . . . . 45 I QD1 . 16508 1
370 . 1 1 45 45 ILE HG12 H 1 1.257 0.025 . 1 . . . . 45 I QG1 . 16508 1
371 . 1 1 45 45 ILE HG13 H 1 1.257 0.025 . 1 . . . . 45 I QG1 . 16508 1
372 . 1 1 45 45 ILE C C 13 178.329 0.022 . 1 . . . . 45 I C . 16508 1
373 . 1 1 45 45 ILE CA C 13 64.053 0.058 . 1 . . . . 45 I CA . 16508 1
374 . 1 1 45 45 ILE CB C 13 38.538 0.087 . 1 . . . . 45 I CB . 16508 1
375 . 1 1 45 45 ILE N N 15 119.327 0.046 . 1 . . . . 45 I N . 16508 1
376 . 1 1 46 46 MET H H 1 8.249 0.004 . 1 . . . . 46 M H . 16508 1
377 . 1 1 46 46 MET HA H 1 4.236 0.006 . 1 . . . . 46 M HA . 16508 1
378 . 1 1 46 46 MET HB2 H 1 2.273 0.001 . 2 . . . . 46 M QB . 16508 1
379 . 1 1 46 46 MET HB3 H 1 2.273 0.001 . 2 . . . . 46 M QB . 16508 1
380 . 1 1 46 46 MET HE1 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1
381 . 1 1 46 46 MET HE2 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1
382 . 1 1 46 46 MET HE3 H 1 1.774 0.001 . 1 . . . . 46 M QE . 16508 1
383 . 1 1 46 46 MET HG2 H 1 2.474 0.006 . 2 . . . . 46 M QG . 16508 1
384 . 1 1 46 46 MET HG3 H 1 2.474 0.006 . 2 . . . . 46 M QG . 16508 1
385 . 1 1 46 46 MET C C 13 177.195 0.042 . 1 . . . . 46 M C . 16508 1
386 . 1 1 46 46 MET CA C 13 58.340 0.094 . 1 . . . . 46 M CA . 16508 1
387 . 1 1 46 46 MET CB C 13 32.572 0.039 . 1 . . . . 46 M CB . 16508 1
388 . 1 1 46 46 MET N N 15 119.936 0.048 . 1 . . . . 46 M N . 16508 1
389 . 1 1 47 47 ARG H H 1 8.463 0.010 . 1 . . . . 47 R H . 16508 1
390 . 1 1 47 47 ARG HA H 1 3.993 0.009 . 1 . . . . 47 R HA . 16508 1
391 . 1 1 47 47 ARG HB2 H 1 2.045 0.003 . 2 . . . . 47 R QB . 16508 1
392 . 1 1 47 47 ARG HB3 H 1 2.045 0.003 . 2 . . . . 47 R QB . 16508 1
393 . 1 1 47 47 ARG HD2 H 1 3.234 0.005 . 2 . . . . 47 R QD . 16508 1
394 . 1 1 47 47 ARG HD3 H 1 3.234 0.005 . 2 . . . . 47 R QD . 16508 1
395 . 1 1 47 47 ARG HG2 H 1 1.940 0.006 . 2 . . . . 47 R QG . 16508 1
396 . 1 1 47 47 ARG HG3 H 1 1.940 0.006 . 2 . . . . 47 R QG . 16508 1
397 . 1 1 47 47 ARG C C 13 177.709 0.009 . 1 . . . . 47 R C . 16508 1
398 . 1 1 47 47 ARG CA C 13 59.112 0.125 . 1 . . . . 47 R CA . 16508 1
399 . 1 1 47 47 ARG CB C 13 30.453 0.043 . 1 . . . . 47 R CB . 16508 1
400 . 1 1 47 47 ARG N N 15 119.457 0.058 . 1 . . . . 47 R N . 16508 1
401 . 1 1 48 48 VAL H H 1 7.970 0.003 . 1 . . . . 48 V H . 16508 1
402 . 1 1 48 48 VAL HA H 1 3.994 0.010 . 1 . . . . 48 V HA . 16508 1
403 . 1 1 48 48 VAL HB H 1 2.169 0.003 . 1 . . . . 48 V HB . 16508 1
404 . 1 1 48 48 VAL HG11 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
405 . 1 1 48 48 VAL HG12 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
406 . 1 1 48 48 VAL HG13 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
407 . 1 1 48 48 VAL HG21 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
408 . 1 1 48 48 VAL HG22 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
409 . 1 1 48 48 VAL HG23 H 1 1.061 0.000 . 1 . . . . 48 V QQG . 16508 1
410 . 1 1 48 48 VAL C C 13 177.201 0.000 . 1 . . . . 48 V C . 16508 1
411 . 1 1 48 48 VAL CA C 13 64.530 0.023 . 1 . . . . 48 V CA . 16508 1
412 . 1 1 48 48 VAL CB C 13 32.248 0.021 . 1 . . . . 48 V CB . 16508 1
413 . 1 1 48 48 VAL N N 15 116.788 0.048 . 1 . . . . 48 V N . 16508 1
414 . 1 1 49 49 ASN H H 1 7.861 0.009 . 1 . . . . 49 N H . 16508 1
415 . 1 1 49 49 ASN HA H 1 4.669 0.011 . 1 . . . . 49 N HA . 16508 1
416 . 1 1 49 49 ASN HB2 H 1 2.764 0.014 . 2 . . . . 49 N HB2 . 16508 1
417 . 1 1 49 49 ASN HB3 H 1 2.654 0.009 . 2 . . . . 49 N HB3 . 16508 1
418 . 1 1 49 49 ASN C C 13 176.503 0.000 . 1 . . . . 49 N C . 16508 1
419 . 1 1 49 49 ASN CA C 13 55.827 0.000 . 1 . . . . 49 N CA . 16508 1
420 . 1 1 49 49 ASN CB C 13 40.037 0.000 . 1 . . . . 49 N CB . 16508 1
421 . 1 1 49 49 ASN N N 15 118.752 0.063 . 1 . . . . 49 N N . 16508 1
422 . 1 1 50 50 VAL H H 1 8.311 0.006 . 1 . . . . 50 V H . 16508 1
423 . 1 1 50 50 VAL HA H 1 3.814 0.006 . 1 . . . . 50 V HA . 16508 1
424 . 1 1 50 50 VAL HB H 1 2.206 0.000 . 1 . . . . 50 V HB . 16508 1
425 . 1 1 50 50 VAL HG11 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
426 . 1 1 50 50 VAL HG12 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
427 . 1 1 50 50 VAL HG13 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
428 . 1 1 50 50 VAL HG21 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
429 . 1 1 50 50 VAL HG22 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
430 . 1 1 50 50 VAL HG23 H 1 1.006 0.000 . 1 . . . . 50 V QQG . 16508 1
431 . 1 1 50 50 VAL C C 13 177.618 0.000 . 1 . . . . 50 V C . 16508 1
432 . 1 1 50 50 VAL CA C 13 65.614 0.047 . 1 . . . . 50 V CA . 16508 1
433 . 1 1 50 50 VAL CB C 13 31.394 0.006 . 1 . . . . 50 V CB . 16508 1
434 . 1 1 50 50 VAL N N 15 120.270 0.066 . 1 . . . . 50 V N . 16508 1
435 . 1 1 51 51 ASP H H 1 8.182 0.006 . 1 . . . . 51 D H . 16508 1
436 . 1 1 51 51 ASP HA H 1 4.420 0.015 . 1 . . . . 51 D HA . 16508 1
437 . 1 1 51 51 ASP HB2 H 1 2.785 0.000 . 2 . . . . 51 D HB2 . 16508 1
438 . 1 1 51 51 ASP HB3 H 1 2.694 0.005 . 2 . . . . 51 D HB3 . 16508 1
439 . 1 1 51 51 ASP C C 13 177.654 0.027 . 1 . . . . 51 D C . 16508 1
440 . 1 1 51 51 ASP CA C 13 56.679 0.020 . 1 . . . . 51 D CA . 16508 1
441 . 1 1 51 51 ASP CB C 13 40.365 0.063 . 1 . . . . 51 D CB . 16508 1
442 . 1 1 51 51 ASP N N 15 119.886 0.036 . 1 . . . . 51 D N . 16508 1
443 . 1 1 52 52 LYS H H 1 7.719 0.005 . 1 . . . . 52 K H . 16508 1
444 . 1 1 52 52 LYS HA H 1 4.200 0.001 . 1 . . . . 52 K HA . 16508 1
445 . 1 1 52 52 LYS HB2 H 1 1.989 0.000 . 2 . . . . 52 K HB2 . 16508 1
446 . 1 1 52 52 LYS HB3 H 1 1.916 0.000 . 2 . . . . 52 K HB3 . 16508 1
447 . 1 1 52 52 LYS HD2 H 1 1.632 0.011 . 2 . . . . 52 K QD . 16508 1
448 . 1 1 52 52 LYS HD3 H 1 1.632 0.011 . 2 . . . . 52 K QD . 16508 1
449 . 1 1 52 52 LYS HE2 H 1 2.952 0.000 . 2 . . . . 52 K QE . 16508 1
450 . 1 1 52 52 LYS HE3 H 1 2.952 0.000 . 2 . . . . 52 K QE . 16508 1
451 . 1 1 52 52 LYS HG2 H 1 1.496 0.000 . 2 . . . . 52 K QG . 16508 1
452 . 1 1 52 52 LYS HG3 H 1 1.496 0.000 . 2 . . . . 52 K QG . 16508 1
453 . 1 1 52 52 LYS C C 13 178.231 0.040 . 1 . . . . 52 K C . 16508 1
454 . 1 1 52 52 LYS CA C 13 58.181 0.075 . 1 . . . . 52 K CA . 16508 1
455 . 1 1 52 52 LYS CB C 13 32.755 0.018 . 1 . . . . 52 K CB . 16508 1
456 . 1 1 52 52 LYS N N 15 117.852 0.057 . 1 . . . . 52 K N . 16508 1
457 . 1 1 53 53 VAL H H 1 7.717 0.005 . 1 . . . . 53 V H . 16508 1
458 . 1 1 53 53 VAL HA H 1 3.985 0.002 . 1 . . . . 53 V HA . 16508 1
459 . 1 1 53 53 VAL HB H 1 2.249 0.021 . 1 . . . . 53 V HB . 16508 1
460 . 1 1 53 53 VAL HG11 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1
461 . 1 1 53 53 VAL HG12 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1
462 . 1 1 53 53 VAL HG13 H 1 1.058 0.001 . 1 . . . . 53 V QG1 . 16508 1
463 . 1 1 53 53 VAL HG21 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1
464 . 1 1 53 53 VAL HG22 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1
465 . 1 1 53 53 VAL HG23 H 1 0.988 0.006 . 1 . . . . 53 V QG2 . 16508 1
466 . 1 1 53 53 VAL C C 13 176.387 0.017 . 1 . . . . 53 V C . 16508 1
467 . 1 1 53 53 VAL CA C 13 64.260 0.038 . 1 . . . . 53 V CA . 16508 1
468 . 1 1 53 53 VAL CB C 13 32.469 0.050 . 1 . . . . 53 V CB . 16508 1
469 . 1 1 53 53 VAL N N 15 117.471 0.077 . 1 . . . . 53 V N . 16508 1
470 . 1 1 54 54 LEU H H 1 7.885 0.006 . 1 . . . . 54 L H . 16508 1
471 . 1 1 54 54 LEU HA H 1 4.261 0.007 . 1 . . . . 54 L HA . 16508 1
472 . 1 1 54 54 LEU HB2 H 1 1.778 0.013 . 2 . . . . 54 L QB . 16508 1
473 . 1 1 54 54 LEU HB3 H 1 1.778 0.013 . 2 . . . . 54 L QB . 16508 1
474 . 1 1 54 54 LEU HD11 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
475 . 1 1 54 54 LEU HD12 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
476 . 1 1 54 54 LEU HD13 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
477 . 1 1 54 54 LEU HD21 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
478 . 1 1 54 54 LEU HD22 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
479 . 1 1 54 54 LEU HD23 H 1 0.917 0.000 . 1 . . . . 54 L QQD . 16508 1
480 . 1 1 54 54 LEU C C 13 177.214 0.006 . 1 . . . . 54 L C . 16508 1
481 . 1 1 54 54 LEU CA C 13 55.604 0.039 . 1 . . . . 54 L CA . 16508 1
482 . 1 1 54 54 LEU CB C 13 42.194 0.059 . 1 . . . . 54 L CB . 16508 1
483 . 1 1 54 54 LEU N N 15 119.443 0.120 . 1 . . . . 54 L N . 16508 1
484 . 1 1 55 55 GLU H H 1 7.918 0.008 . 1 . . . . 55 E H . 16508 1
485 . 1 1 55 55 GLU HA H 1 4.235 0.001 . 1 . . . . 55 E HA . 16508 1
486 . 1 1 55 55 GLU HB2 H 1 2.052 0.019 . 2 . . . . 55 E QB . 16508 1
487 . 1 1 55 55 GLU HB3 H 1 2.052 0.019 . 2 . . . . 55 E QB . 16508 1
488 . 1 1 55 55 GLU C C 13 176.538 0.009 . 1 . . . . 55 E C . 16508 1
489 . 1 1 55 55 GLU CA C 13 56.880 0.102 . 1 . . . . 55 E CA . 16508 1
490 . 1 1 55 55 GLU CB C 13 29.573 0.098 . 1 . . . . 55 E CB . 16508 1
491 . 1 1 55 55 GLU CG C 13 35.898 0.000 . 1 . . . . 55 E CG . 16508 1
492 . 1 1 55 55 GLU N N 15 119.085 0.064 . 1 . . . . 55 E N . 16508 1
493 . 1 1 56 56 ARG H H 1 8.053 0.004 . 1 . . . . 56 R H . 16508 1
494 . 1 1 56 56 ARG HA H 1 4.286 0.028 . 1 . . . . 56 R HA . 16508 1
495 . 1 1 56 56 ARG HB2 H 1 1.894 0.003 . 2 . . . . 56 R HB2 . 16508 1
496 . 1 1 56 56 ARG HB3 H 1 1.818 0.004 . 2 . . . . 56 R HB3 . 16508 1
497 . 1 1 56 56 ARG HD2 H 1 3.226 0.003 . 2 . . . . 56 R QD . 16508 1
498 . 1 1 56 56 ARG HD3 H 1 3.226 0.003 . 2 . . . . 56 R QD . 16508 1
499 . 1 1 56 56 ARG HG2 H 1 1.679 0.006 . 2 . . . . 56 R QG . 16508 1
500 . 1 1 56 56 ARG HG3 H 1 1.679 0.006 . 2 . . . . 56 R QG . 16508 1
501 . 1 1 56 56 ARG C C 13 176.234 0.016 . 1 . . . . 56 R C . 16508 1
502 . 1 1 56 56 ARG CA C 13 56.659 0.062 . 1 . . . . 56 R CA . 16508 1
503 . 1 1 56 56 ARG CB C 13 30.983 0.067 . 1 . . . . 56 R CB . 16508 1
504 . 1 1 56 56 ARG CG C 13 27.245 0.000 . 1 . . . . 56 R CG . 16508 1
505 . 1 1 56 56 ARG N N 15 120.520 0.077 . 1 . . . . 56 R N . 16508 1
506 . 1 1 57 57 ASP H H 1 8.330 0.007 . 1 . . . . 57 D H . 16508 1
507 . 1 1 57 57 ASP HA H 1 3.974 0.007 . 1 . . . . 57 D HA . 16508 1
508 . 1 1 57 57 ASP HB2 H 1 2.704 0.010 . 2 . . . . 57 D HB2 . 16508 1
509 . 1 1 57 57 ASP HB3 H 1 2.649 0.006 . 2 . . . . 57 D HB3 . 16508 1
510 . 1 1 57 57 ASP C C 13 176.325 0.003 . 1 . . . . 57 D C . 16508 1
511 . 1 1 57 57 ASP CA C 13 54.689 0.033 . 1 . . . . 57 D CA . 16508 1
512 . 1 1 57 57 ASP CB C 13 41.203 0.035 . 1 . . . . 57 D CB . 16508 1
513 . 1 1 57 57 ASP N N 15 120.434 0.038 . 1 . . . . 57 D N . 16508 1
514 . 1 1 58 58 GLN H H 1 8.184 0.003 . 1 . . . . 58 Q H . 16508 1
515 . 1 1 58 58 GLN HA H 1 4.299 0.005 . 1 . . . . 58 Q HA . 16508 1
516 . 1 1 58 58 GLN HB2 H 1 2.137 0.005 . 2 . . . . 58 Q HB2 . 16508 1
517 . 1 1 58 58 GLN HB3 H 1 2.014 0.014 . 2 . . . . 58 Q HB3 . 16508 1
518 . 1 1 58 58 GLN HG2 H 1 2.374 0.010 . 2 . . . . 58 Q QG . 16508 1
519 . 1 1 58 58 GLN HG3 H 1 2.374 0.010 . 2 . . . . 58 Q QG . 16508 1
520 . 1 1 58 58 GLN C C 13 176.105 0.010 . 1 . . . . 58 Q C . 16508 1
521 . 1 1 58 58 GLN CA C 13 56.391 0.120 . 1 . . . . 58 Q CA . 16508 1
522 . 1 1 58 58 GLN CB C 13 29.578 0.179 . 1 . . . . 58 Q CB . 16508 1
523 . 1 1 58 58 GLN CG C 13 34.145 0.000 . 1 . . . . 58 Q CG . 16508 1
524 . 1 1 58 58 GLN N N 15 120.708 0.053 . 1 . . . . 58 Q N . 16508 1
525 . 1 1 59 59 LYS H H 1 8.271 0.005 . 1 . . . . 59 K H . 16508 1
526 . 1 1 59 59 LYS HA H 1 4.304 0.009 . 1 . . . . 59 K HA . 16508 1
527 . 1 1 59 59 LYS HB2 H 1 1.825 0.012 . 2 . . . . 59 K QB . 16508 1
528 . 1 1 59 59 LYS HB3 H 1 1.825 0.012 . 2 . . . . 59 K QB . 16508 1
529 . 1 1 59 59 LYS HD2 H 1 1.688 0.004 . 2 . . . . 59 K QD . 16508 1
530 . 1 1 59 59 LYS HD3 H 1 1.688 0.004 . 2 . . . . 59 K QD . 16508 1
531 . 1 1 59 59 LYS HE2 H 1 3.005 0.007 . 2 . . . . 59 K QE . 16508 1
532 . 1 1 59 59 LYS HE3 H 1 3.005 0.007 . 2 . . . . 59 K QE . 16508 1
533 . 1 1 59 59 LYS HG2 H 1 1.442 0.004 . 2 . . . . 59 K QG . 16508 1
534 . 1 1 59 59 LYS HG3 H 1 1.442 0.004 . 2 . . . . 59 K QG . 16508 1
535 . 1 1 59 59 LYS C C 13 176.831 0.016 . 1 . . . . 59 K C . 16508 1
536 . 1 1 59 59 LYS CA C 13 56.569 0.098 . 1 . . . . 59 K CA . 16508 1
537 . 1 1 59 59 LYS CB C 13 32.773 0.065 . 1 . . . . 59 K CB . 16508 1
538 . 1 1 59 59 LYS CD C 13 29.193 0.000 . 1 . . . . 59 K CD . 16508 1
539 . 1 1 59 59 LYS CE C 13 42.242 0.000 . 1 . . . . 59 K CE . 16508 1
540 . 1 1 59 59 LYS CG C 13 24.940 0.000 . 1 . . . . 59 K CG . 16508 1
541 . 1 1 59 59 LYS N N 15 121.618 0.055 . 1 . . . . 59 K N . 16508 1
542 . 1 1 60 60 LEU H H 1 8.185 0.005 . 1 . . . . 60 L H . 16508 1
543 . 1 1 60 60 LEU HA H 1 4.345 0.007 . 1 . . . . 60 L HA . 16508 1
544 . 1 1 60 60 LEU HB2 H 1 1.664 0.010 . 2 . . . . 60 L QB . 16508 1
545 . 1 1 60 60 LEU HB3 H 1 1.664 0.010 . 2 . . . . 60 L QB . 16508 1
546 . 1 1 60 60 LEU HD11 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
547 . 1 1 60 60 LEU HD12 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
548 . 1 1 60 60 LEU HD13 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
549 . 1 1 60 60 LEU HD21 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
550 . 1 1 60 60 LEU HD22 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
551 . 1 1 60 60 LEU HD23 H 1 0.911 0.005 . 1 . . . . 60 L QQD . 16508 1
552 . 1 1 60 60 LEU C C 13 177.613 0.024 . 1 . . . . 60 L C . 16508 1
553 . 1 1 60 60 LEU CA C 13 55.683 0.076 . 1 . . . . 60 L CA . 16508 1
554 . 1 1 60 60 LEU CB C 13 42.236 0.122 . 1 . . . . 60 L CB . 16508 1
555 . 1 1 60 60 LEU CD1 C 13 24.832 0.000 . 2 . . . . 60 L CD1 . 16508 1
556 . 1 1 60 60 LEU CD2 C 13 23.477 0.000 . 2 . . . . 60 L CD2 . 16508 1
557 . 1 1 60 60 LEU CG C 13 26.838 0.000 . 1 . . . . 60 L CG . 16508 1
558 . 1 1 60 60 LEU N N 15 122.423 0.060 . 1 . . . . 60 L N . 16508 1
559 . 1 1 61 61 SER H H 1 8.150 0.004 . 1 . . . . 61 S H . 16508 1
560 . 1 1 61 61 SER HA H 1 4.439 0.009 . 1 . . . . 61 S HA . 16508 1
561 . 1 1 61 61 SER HB2 H 1 3.886 0.007 . 2 . . . . 61 S QB . 16508 1
562 . 1 1 61 61 SER HB3 H 1 3.886 0.007 . 2 . . . . 61 S QB . 16508 1
563 . 1 1 61 61 SER C C 13 174.718 0.010 . 1 . . . . 61 S C . 16508 1
564 . 1 1 61 61 SER CA C 13 58.777 0.054 . 1 . . . . 61 S CA . 16508 1
565 . 1 1 61 61 SER CB C 13 63.981 0.136 . 1 . . . . 61 S CB . 16508 1
566 . 1 1 61 61 SER N N 15 115.473 0.032 . 1 . . . . 61 S N . 16508 1
567 . 1 1 62 62 GLU H H 1 8.295 0.004 . 1 . . . . 62 E H . 16508 1
568 . 1 1 62 62 GLU HA H 1 4.319 0.004 . 1 . . . . 62 E HA . 16508 1
569 . 1 1 62 62 GLU HB2 H 1 2.112 0.007 . 2 . . . . 62 E HB2 . 16508 1
570 . 1 1 62 62 GLU HB3 H 1 1.973 0.005 . 2 . . . . 62 E HB3 . 16508 1
571 . 1 1 62 62 GLU HG2 H 1 2.286 0.007 . 2 . . . . 62 E QG . 16508 1
572 . 1 1 62 62 GLU HG3 H 1 2.286 0.007 . 2 . . . . 62 E QG . 16508 1
573 . 1 1 62 62 GLU C C 13 176.452 0.007 . 1 . . . . 62 E C . 16508 1
574 . 1 1 62 62 GLU CA C 13 56.914 0.089 . 1 . . . . 62 E CA . 16508 1
575 . 1 1 62 62 GLU CB C 13 30.048 0.182 . 1 . . . . 62 E CB . 16508 1
576 . 1 1 62 62 GLU CG C 13 36.205 0.082 . 1 . . . . 62 E CG . 16508 1
577 . 1 1 62 62 GLU N N 15 122.071 0.053 . 1 . . . . 62 E N . 16508 1
578 . 1 1 63 63 LEU H H 1 7.988 0.004 . 1 . . . . 63 L H . 16508 1
579 . 1 1 63 63 LEU HA H 1 4.330 0.008 . 1 . . . . 63 L HA . 16508 1
580 . 1 1 63 63 LEU HB2 H 1 1.655 0.010 . 2 . . . . 63 L QB . 16508 1
581 . 1 1 63 63 LEU HB3 H 1 1.655 0.010 . 2 . . . . 63 L QB . 16508 1
582 . 1 1 63 63 LEU HD11 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
583 . 1 1 63 63 LEU HD12 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
584 . 1 1 63 63 LEU HD13 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
585 . 1 1 63 63 LEU HD21 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
586 . 1 1 63 63 LEU HD22 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
587 . 1 1 63 63 LEU HD23 H 1 0.894 0.005 . 1 . . . . 63 L QQD . 16508 1
588 . 1 1 63 63 LEU C C 13 177.042 0.017 . 1 . . . . 63 L C . 16508 1
589 . 1 1 63 63 LEU CA C 13 55.468 0.056 . 1 . . . . 63 L CA . 16508 1
590 . 1 1 63 63 LEU CB C 13 42.486 0.060 . 1 . . . . 63 L CB . 16508 1
591 . 1 1 63 63 LEU CD1 C 13 24.968 0.000 . 2 . . . . 63 L CD1 . 16508 1
592 . 1 1 63 63 LEU CD2 C 13 23.607 0.000 . 2 . . . . 63 L CD2 . 16508 1
593 . 1 1 63 63 LEU CG C 13 26.943 0.000 . 1 . . . . 63 L CG . 16508 1
594 . 1 1 63 63 LEU N N 15 121.328 0.039 . 1 . . . . 63 L N . 16508 1
595 . 1 1 64 64 ASP H H 1 8.069 0.004 . 1 . . . . 64 D H . 16508 1
596 . 1 1 64 64 ASP HA H 1 4.594 0.003 . 1 . . . . 64 D HA . 16508 1
597 . 1 1 64 64 ASP HB2 H 1 2.735 0.001 . 2 . . . . 64 D HB2 . 16508 1
598 . 1 1 64 64 ASP HB3 H 1 2.639 0.002 . 2 . . . . 64 D HB3 . 16508 1
599 . 1 1 64 64 ASP C C 13 176.060 0.018 . 1 . . . . 64 D C . 16508 1
600 . 1 1 64 64 ASP CA C 13 54.573 0.058 . 1 . . . . 64 D CA . 16508 1
601 . 1 1 64 64 ASP CB C 13 41.429 0.141 . 1 . . . . 64 D CB . 16508 1
602 . 1 1 64 64 ASP N N 15 120.630 0.038 . 1 . . . . 64 D N . 16508 1
603 . 1 1 65 65 ASP H H 1 8.191 0.003 . 1 . . . . 65 D H . 16508 1
604 . 1 1 65 65 ASP HA H 1 4.568 0.014 . 1 . . . . 65 D HA . 16508 1
605 . 1 1 65 65 ASP HB2 H 1 2.691 0.005 . 2 . . . . 65 D QB . 16508 1
606 . 1 1 65 65 ASP HB3 H 1 2.691 0.005 . 2 . . . . 65 D QB . 16508 1
607 . 1 1 65 65 ASP C C 13 176.588 0.016 . 1 . . . . 65 D C . 16508 1
608 . 1 1 65 65 ASP CA C 13 54.620 0.054 . 1 . . . . 65 D CA . 16508 1
609 . 1 1 65 65 ASP CB C 13 41.068 0.097 . 1 . . . . 65 D CB . 16508 1
610 . 1 1 65 65 ASP N N 15 120.962 0.065 . 1 . . . . 65 D N . 16508 1
611 . 1 1 66 66 ARG H H 1 8.135 0.004 . 1 . . . . 66 R H . 16508 1
612 . 1 1 66 66 ARG HA H 1 4.290 0.012 . 1 . . . . 66 R HA . 16508 1
613 . 1 1 66 66 ARG HB2 H 1 1.919 0.002 . 2 . . . . 66 R HB2 . 16508 1
614 . 1 1 66 66 ARG HB3 H 1 1.820 0.000 . 2 . . . . 66 R HB3 . 16508 1
615 . 1 1 66 66 ARG HD2 H 1 3.203 0.009 . 2 . . . . 66 R QD . 16508 1
616 . 1 1 66 66 ARG HD3 H 1 3.203 0.009 . 2 . . . . 66 R QD . 16508 1
617 . 1 1 66 66 ARG HG2 H 1 1.672 0.002 . 2 . . . . 66 R QG . 16508 1
618 . 1 1 66 66 ARG HG3 H 1 1.672 0.002 . 2 . . . . 66 R QG . 16508 1
619 . 1 1 66 66 ARG C C 13 176.613 0.027 . 1 . . . . 66 R C . 16508 1
620 . 1 1 66 66 ARG CA C 13 56.526 0.126 . 1 . . . . 66 R CA . 16508 1
621 . 1 1 66 66 ARG CB C 13 30.659 0.116 . 1 . . . . 66 R CB . 16508 1
622 . 1 1 66 66 ARG CD C 13 43.603 0.000 . 1 . . . . 66 R CD . 16508 1
623 . 1 1 66 66 ARG CG C 13 27.285 0.000 . 1 . . . . 66 R CG . 16508 1
624 . 1 1 66 66 ARG N N 15 120.428 0.063 . 1 . . . . 66 R N . 16508 1
625 . 1 1 67 67 ALA H H 1 8.162 0.005 . 1 . . . . 67 A H . 16508 1
626 . 1 1 67 67 ALA HA H 1 4.255 0.013 . 1 . . . . 67 A HA . 16508 1
627 . 1 1 67 67 ALA HB1 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1
628 . 1 1 67 67 ALA HB2 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1
629 . 1 1 67 67 ALA HB3 H 1 1.422 0.007 . 1 . . . . 67 A QB . 16508 1
630 . 1 1 67 67 ALA C C 13 177.952 0.006 . 1 . . . . 67 A C . 16508 1
631 . 1 1 67 67 ALA CA C 13 53.317 0.043 . 1 . . . . 67 A CA . 16508 1
632 . 1 1 67 67 ALA CB C 13 19.079 0.046 . 1 . . . . 67 A CB . 16508 1
633 . 1 1 67 67 ALA N N 15 123.867 0.068 . 1 . . . . 67 A N . 16508 1
634 . 1 1 68 68 ASP H H 1 8.162 0.005 . 1 . . . . 68 D H . 16508 1
635 . 1 1 68 68 ASP HA H 1 4.548 0.011 . 1 . . . . 68 D HA . 16508 1
636 . 1 1 68 68 ASP HB2 H 1 2.678 0.003 . 2 . . . . 68 D QB . 16508 1
637 . 1 1 68 68 ASP HB3 H 1 2.678 0.003 . 2 . . . . 68 D QB . 16508 1
638 . 1 1 68 68 ASP C C 13 176.604 0.011 . 1 . . . . 68 D C . 16508 1
639 . 1 1 68 68 ASP CA C 13 54.804 0.042 . 1 . . . . 68 D CA . 16508 1
640 . 1 1 68 68 ASP CB C 13 41.178 0.048 . 1 . . . . 68 D CB . 16508 1
641 . 1 1 68 68 ASP N N 15 118.528 0.039 . 1 . . . . 68 D N . 16508 1
642 . 1 1 69 69 ALA H H 1 8.004 0.004 . 1 . . . . 69 A H . 16508 1
643 . 1 1 69 69 ALA HA H 1 4.260 0.008 . 1 . . . . 69 A HA . 16508 1
644 . 1 1 69 69 ALA HB1 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1
645 . 1 1 69 69 ALA HB2 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1
646 . 1 1 69 69 ALA HB3 H 1 1.423 0.007 . 1 . . . . 69 A QB . 16508 1
647 . 1 1 69 69 ALA C C 13 178.264 0.016 . 1 . . . . 69 A C . 16508 1
648 . 1 1 69 69 ALA CA C 13 53.347 0.039 . 1 . . . . 69 A CA . 16508 1
649 . 1 1 69 69 ALA CB C 13 19.143 0.057 . 1 . . . . 69 A CB . 16508 1
650 . 1 1 69 69 ALA N N 15 123.339 0.023 . 1 . . . . 69 A N . 16508 1
651 . 1 1 70 70 LEU H H 1 8.022 0.004 . 1 . . . . 70 L H . 16508 1
652 . 1 1 70 70 LEU HA H 1 4.274 0.011 . 1 . . . . 70 L HA . 16508 1
653 . 1 1 70 70 LEU HB2 H 1 1.711 0.003 . 2 . . . . 70 L QB . 16508 1
654 . 1 1 70 70 LEU HB3 H 1 1.711 0.003 . 2 . . . . 70 L QB . 16508 1
655 . 1 1 70 70 LEU HD11 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
656 . 1 1 70 70 LEU HD12 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
657 . 1 1 70 70 LEU HD13 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
658 . 1 1 70 70 LEU HD21 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
659 . 1 1 70 70 LEU HD22 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
660 . 1 1 70 70 LEU HD23 H 1 0.912 0.012 . 1 . . . . 70 L QQD . 16508 1
661 . 1 1 70 70 LEU HG H 1 1.620 0.004 . 1 . . . . 70 L HG . 16508 1
662 . 1 1 70 70 LEU C C 13 177.739 0.002 . 1 . . . . 70 L C . 16508 1
663 . 1 1 70 70 LEU CA C 13 55.874 0.061 . 1 . . . . 70 L CA . 16508 1
664 . 1 1 70 70 LEU CB C 13 42.050 0.109 . 1 . . . . 70 L CB . 16508 1
665 . 1 1 70 70 LEU CD1 C 13 24.871 0.000 . 2 . . . . 70 L CD1 . 16508 1
666 . 1 1 70 70 LEU CD2 C 13 23.579 0.000 . 2 . . . . 70 L CD2 . 16508 1
667 . 1 1 70 70 LEU CG C 13 26.919 0.000 . 1 . . . . 70 L CG . 16508 1
668 . 1 1 70 70 LEU N N 15 119.453 0.032 . 1 . . . . 70 L N . 16508 1
669 . 1 1 71 71 GLN H H 1 8.045 0.006 . 1 . . . . 71 Q H . 16508 1
670 . 1 1 71 71 GLN HA H 1 4.266 0.004 . 1 . . . . 71 Q HA . 16508 1
671 . 1 1 71 71 GLN HB2 H 1 2.146 0.003 . 2 . . . . 71 Q HB2 . 16508 1
672 . 1 1 71 71 GLN HB3 H 1 2.024 0.003 . 2 . . . . 71 Q HB3 . 16508 1
673 . 1 1 71 71 GLN HG2 H 1 2.382 0.003 . 2 . . . . 71 Q QG . 16508 1
674 . 1 1 71 71 GLN HG3 H 1 2.382 0.003 . 2 . . . . 71 Q QG . 16508 1
675 . 1 1 71 71 GLN C C 13 176.139 0.014 . 1 . . . . 71 Q C . 16508 1
676 . 1 1 71 71 GLN CA C 13 56.330 0.160 . 1 . . . . 71 Q CA . 16508 1
677 . 1 1 71 71 GLN CB C 13 29.307 0.131 . 1 . . . . 71 Q CB . 16508 1
678 . 1 1 71 71 GLN CG C 13 34.115 0.000 . 1 . . . . 71 Q CG . 16508 1
679 . 1 1 71 71 GLN N N 15 119.632 0.044 . 1 . . . . 71 Q N . 16508 1
680 . 1 1 72 72 ALA H H 1 8.143 0.004 . 1 . . . . 72 A H . 16508 1
681 . 1 1 72 72 ALA HA H 1 4.287 0.004 . 1 . . . . 72 A HA . 16508 1
682 . 1 1 72 72 ALA HB1 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1
683 . 1 1 72 72 ALA HB2 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1
684 . 1 1 72 72 ALA HB3 H 1 1.421 0.004 . 1 . . . . 72 A QB . 16508 1
685 . 1 1 72 72 ALA C C 13 178.454 0.011 . 1 . . . . 72 A C . 16508 1
686 . 1 1 72 72 ALA CA C 13 53.117 0.040 . 1 . . . . 72 A CA . 16508 1
687 . 1 1 72 72 ALA CB C 13 19.166 0.098 . 1 . . . . 72 A CB . 16508 1
688 . 1 1 72 72 ALA N N 15 124.135 0.036 . 1 . . . . 72 A N . 16508 1
689 . 1 1 73 73 GLY H H 1 8.263 0.005 . 1 . . . . 73 G H . 16508 1
690 . 1 1 73 73 GLY HA2 H 1 3.958 0.016 . 2 . . . . 73 G QA . 16508 1
691 . 1 1 73 73 GLY HA3 H 1 3.958 0.016 . 2 . . . . 73 G QA . 16508 1
692 . 1 1 73 73 GLY C C 13 174.191 0.011 . 1 . . . . 73 G C . 16508 1
693 . 1 1 73 73 GLY CA C 13 45.600 0.078 . 1 . . . . 73 G CA . 16508 1
694 . 1 1 73 73 GLY N N 15 107.702 0.039 . 1 . . . . 73 G N . 16508 1
695 . 1 1 74 74 ALA H H 1 8.052 0.007 . 1 . . . . 74 A H . 16508 1
696 . 1 1 74 74 ALA HA H 1 4.337 0.012 . 1 . . . . 74 A HA . 16508 1
697 . 1 1 74 74 ALA HB1 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1
698 . 1 1 74 74 ALA HB2 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1
699 . 1 1 74 74 ALA HB3 H 1 1.431 0.002 . 1 . . . . 74 A QB . 16508 1
700 . 1 1 74 74 ALA C C 13 178.110 0.023 . 1 . . . . 74 A C . 16508 1
701 . 1 1 74 74 ALA CA C 13 52.913 0.093 . 1 . . . . 74 A CA . 16508 1
702 . 1 1 74 74 ALA CB C 13 19.476 0.088 . 1 . . . . 74 A CB . 16508 1
703 . 1 1 74 74 ALA N N 15 123.323 0.030 . 1 . . . . 74 A N . 16508 1
704 . 1 1 75 75 SER H H 1 8.255 0.004 . 1 . . . . 75 S H . 16508 1
705 . 1 1 75 75 SER HA H 1 4.445 0.005 . 1 . . . . 75 S HA . 16508 1
706 . 1 1 75 75 SER HB2 H 1 3.989 0.002 . 2 . . . . 75 S HB2 . 16508 1
707 . 1 1 75 75 SER HB3 H 1 3.909 0.005 . 2 . . . . 75 S HB3 . 16508 1
708 . 1 1 75 75 SER C C 13 175.222 0.025 . 1 . . . . 75 S C . 16508 1
709 . 1 1 75 75 SER CA C 13 58.780 0.045 . 1 . . . . 75 S CA . 16508 1
710 . 1 1 75 75 SER CB C 13 63.987 0.168 . 1 . . . . 75 S CB . 16508 1
711 . 1 1 75 75 SER N N 15 114.446 0.026 . 1 . . . . 75 S N . 16508 1
712 . 1 1 76 76 GLN H H 1 8.382 0.009 . 1 . . . . 76 Q H . 16508 1
713 . 1 1 76 76 GLN HA H 1 4.232 0.000 . 1 . . . . 76 Q HA . 16508 1
714 . 1 1 76 76 GLN HB2 H 1 1.966 0.000 . 2 . . . . 76 Q QB . 16508 1
715 . 1 1 76 76 GLN HB3 H 1 1.966 0.000 . 2 . . . . 76 Q QB . 16508 1
716 . 1 1 76 76 GLN HG2 H 1 2.227 0.018 . 2 . . . . 76 Q QG . 16508 1
717 . 1 1 76 76 GLN HG3 H 1 2.227 0.018 . 2 . . . . 76 Q QG . 16508 1
718 . 1 1 76 76 GLN C C 13 176.490 0.058 . 1 . . . . 76 Q C . 16508 1
719 . 1 1 76 76 GLN CA C 13 57.049 0.133 . 1 . . . . 76 Q CA . 16508 1
720 . 1 1 76 76 GLN CB C 13 29.179 0.031 . 1 . . . . 76 Q CB . 16508 1
721 . 1 1 76 76 GLN CG C 13 33.588 0.000 . 1 . . . . 76 Q CG . 16508 1
722 . 1 1 76 76 GLN N N 15 121.827 0.039 . 1 . . . . 76 Q N . 16508 1
723 . 1 1 77 77 PHE H H 1 8.178 0.006 . 1 . . . . 77 F H . 16508 1
724 . 1 1 77 77 PHE HA H 1 4.543 0.013 . 1 . . . . 77 F HA . 16508 1
725 . 1 1 77 77 PHE HB2 H 1 3.206 0.009 . 2 . . . . 77 F HB2 . 16508 1
726 . 1 1 77 77 PHE HB3 H 1 3.068 0.008 . 2 . . . . 77 F HB3 . 16508 1
727 . 1 1 77 77 PHE HD1 H 1 7.261 0.000 . 3 . . . . 77 F QD . 16508 1
728 . 1 1 77 77 PHE HD2 H 1 7.261 0.000 . 3 . . . . 77 F QD . 16508 1
729 . 1 1 77 77 PHE C C 13 175.901 0.029 . 1 . . . . 77 F C . 16508 1
730 . 1 1 77 77 PHE CA C 13 58.826 0.033 . 1 . . . . 77 F CA . 16508 1
731 . 1 1 77 77 PHE CB C 13 39.552 0.067 . 1 . . . . 77 F CB . 16508 1
732 . 1 1 77 77 PHE N N 15 119.792 0.069 . 1 . . . . 77 F N . 16508 1
733 . 1 1 78 78 GLU H H 1 8.143 0.005 . 1 . . . . 78 E H . 16508 1
734 . 1 1 78 78 GLU HA H 1 4.250 0.000 . 1 . . . . 78 E HA . 16508 1
735 . 1 1 78 78 GLU HB2 H 1 2.054 0.008 . 2 . . . . 78 E QB . 16508 1
736 . 1 1 78 78 GLU HB3 H 1 2.054 0.008 . 2 . . . . 78 E QB . 16508 1
737 . 1 1 78 78 GLU HG2 H 1 2.290 0.000 . 2 . . . . 78 E QG . 16508 1
738 . 1 1 78 78 GLU HG3 H 1 2.290 0.000 . 2 . . . . 78 E QG . 16508 1
739 . 1 1 78 78 GLU C C 13 177.177 0.007 . 1 . . . . 78 E C . 16508 1
740 . 1 1 78 78 GLU CA C 13 57.638 0.073 . 1 . . . . 78 E CA . 16508 1
741 . 1 1 78 78 GLU CB C 13 30.459 0.019 . 1 . . . . 78 E CB . 16508 1
742 . 1 1 78 78 GLU N N 15 120.842 0.040 . 1 . . . . 78 E N . 16508 1
743 . 1 1 79 79 THR H H 1 8.073 0.004 . 1 . . . . 79 T H . 16508 1
744 . 1 1 79 79 THR HA H 1 4.247 0.009 . 1 . . . . 79 T HA . 16508 1
745 . 1 1 79 79 THR HB H 1 4.408 0.007 . 1 . . . . 79 T HB . 16508 1
746 . 1 1 79 79 THR HG21 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1
747 . 1 1 79 79 THR HG22 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1
748 . 1 1 79 79 THR HG23 H 1 1.288 0.009 . 1 . . . . 79 T QG2 . 16508 1
749 . 1 1 79 79 THR C C 13 175.658 0.021 . 1 . . . . 79 T C . 16508 1
750 . 1 1 79 79 THR CA C 13 63.099 0.052 . 1 . . . . 79 T CA . 16508 1
751 . 1 1 79 79 THR CB C 13 69.546 0.084 . 1 . . . . 79 T CB . 16508 1
752 . 1 1 79 79 THR N N 15 114.057 0.038 . 1 . . . . 79 T N . 16508 1
753 . 1 1 80 80 SER H H 1 8.325 0.006 . 1 . . . . 80 S H . 16508 1
754 . 1 1 80 80 SER HA H 1 4.290 0.017 . 1 . . . . 80 S HA . 16508 1
755 . 1 1 80 80 SER HB2 H 1 3.862 0.001 . 2 . . . . 80 S QB . 16508 1
756 . 1 1 80 80 SER HB3 H 1 3.862 0.001 . 2 . . . . 80 S QB . 16508 1
757 . 1 1 80 80 SER C C 13 175.557 0.018 . 1 . . . . 80 S C . 16508 1
758 . 1 1 80 80 SER CA C 13 60.862 0.059 . 1 . . . . 80 S CA . 16508 1
759 . 1 1 80 80 SER CB C 13 63.522 0.027 . 1 . . . . 80 S CB . 16508 1
760 . 1 1 80 80 SER N N 15 117.704 0.082 . 1 . . . . 80 S N . 16508 1
761 . 1 1 81 81 ALA H H 1 8.422 0.005 . 1 . . . . 81 A H . 16508 1
762 . 1 1 81 81 ALA HA H 1 4.058 0.008 . 1 . . . . 81 A HA . 16508 1
763 . 1 1 81 81 ALA HB1 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1
764 . 1 1 81 81 ALA HB2 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1
765 . 1 1 81 81 ALA HB3 H 1 1.381 0.010 . 1 . . . . 81 A QB . 16508 1
766 . 1 1 81 81 ALA C C 13 178.631 0.005 . 1 . . . . 81 A C . 16508 1
767 . 1 1 81 81 ALA CA C 13 54.661 0.027 . 1 . . . . 81 A CA . 16508 1
768 . 1 1 81 81 ALA CB C 13 18.491 0.024 . 1 . . . . 81 A CB . 16508 1
769 . 1 1 81 81 ALA N N 15 124.268 0.045 . 1 . . . . 81 A N . 16508 1
770 . 1 1 82 82 ALA H H 1 7.914 0.004 . 1 . . . . 82 A H . 16508 1
771 . 1 1 82 82 ALA HA H 1 4.079 0.014 . 1 . . . . 82 A HA . 16508 1
772 . 1 1 82 82 ALA HB1 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1
773 . 1 1 82 82 ALA HB2 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1
774 . 1 1 82 82 ALA HB3 H 1 1.488 0.006 . 1 . . . . 82 A QB . 16508 1
775 . 1 1 82 82 ALA C C 13 179.640 0.025 . 1 . . . . 82 A C . 16508 1
776 . 1 1 82 82 ALA CA C 13 54.554 0.085 . 1 . . . . 82 A CA . 16508 1
777 . 1 1 82 82 ALA CB C 13 18.689 0.035 . 1 . . . . 82 A CB . 16508 1
778 . 1 1 82 82 ALA N N 15 120.020 0.041 . 1 . . . . 82 A N . 16508 1
779 . 1 1 83 83 LYS H H 1 7.814 0.004 . 1 . . . . 83 K H . 16508 1
780 . 1 1 83 83 LYS HA H 1 4.075 0.004 . 1 . . . . 83 K HA . 16508 1
781 . 1 1 83 83 LYS HB2 H 1 1.884 0.000 . 2 . . . . 83 K QB . 16508 1
782 . 1 1 83 83 LYS HB3 H 1 1.884 0.000 . 2 . . . . 83 K QB . 16508 1
783 . 1 1 83 83 LYS HD2 H 1 1.708 0.000 . 2 . . . . 83 K QD . 16508 1
784 . 1 1 83 83 LYS HD3 H 1 1.708 0.000 . 2 . . . . 83 K QD . 16508 1
785 . 1 1 83 83 LYS HE2 H 1 2.973 0.000 . 2 . . . . 83 K QE . 16508 1
786 . 1 1 83 83 LYS HE3 H 1 2.973 0.000 . 2 . . . . 83 K QE . 16508 1
787 . 1 1 83 83 LYS HG2 H 1 1.562 0.000 . 2 . . . . 83 K QG . 16508 1
788 . 1 1 83 83 LYS HG3 H 1 1.562 0.000 . 2 . . . . 83 K QG . 16508 1
789 . 1 1 83 83 LYS C C 13 178.224 0.009 . 1 . . . . 83 K C . 16508 1
790 . 1 1 83 83 LYS CA C 13 58.470 0.081 . 1 . . . . 83 K CA . 16508 1
791 . 1 1 83 83 LYS CB C 13 32.634 0.031 . 1 . . . . 83 K CB . 16508 1
792 . 1 1 83 83 LYS N N 15 117.798 0.035 . 1 . . . . 83 K N . 16508 1
793 . 1 1 84 84 LEU H H 1 7.878 0.003 . 1 . . . . 84 L H . 16508 1
794 . 1 1 84 84 LEU HA H 1 4.179 0.008 . 1 . . . . 84 L HA . 16508 1
795 . 1 1 84 84 LEU HB2 H 1 1.598 0.000 . 2 . . . . 84 L QB . 16508 1
796 . 1 1 84 84 LEU HB3 H 1 1.598 0.000 . 2 . . . . 84 L QB . 16508 1
797 . 1 1 84 84 LEU HD11 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1
798 . 1 1 84 84 LEU HD12 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1
799 . 1 1 84 84 LEU HD13 H 1 0.949 0.000 . 1 . . . . 84 L QD1 . 16508 1
800 . 1 1 84 84 LEU HD21 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1
801 . 1 1 84 84 LEU HD22 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1
802 . 1 1 84 84 LEU HD23 H 1 0.919 0.000 . 1 . . . . 84 L QD2 . 16508 1
803 . 1 1 84 84 LEU C C 13 178.043 0.016 . 1 . . . . 84 L C . 16508 1
804 . 1 1 84 84 LEU CA C 13 56.756 0.049 . 1 . . . . 84 L CA . 16508 1
805 . 1 1 84 84 LEU CB C 13 42.254 0.028 . 1 . . . . 84 L CB . 16508 1
806 . 1 1 84 84 LEU N N 15 119.702 0.060 . 1 . . . . 84 L N . 16508 1
807 . 1 1 85 85 LYS H H 1 7.962 0.005 . 1 . . . . 85 K H . 16508 1
808 . 1 1 85 85 LYS HA H 1 4.075 0.000 . 1 . . . . 85 K HA . 16508 1
809 . 1 1 85 85 LYS C C 13 177.318 0.006 . 1 . . . . 85 K C . 16508 1
810 . 1 1 85 85 LYS CA C 13 58.182 0.072 . 1 . . . . 85 K CA . 16508 1
811 . 1 1 85 85 LYS CB C 13 32.671 0.033 . 1 . . . . 85 K CB . 16508 1
812 . 1 1 85 85 LYS N N 15 118.996 0.048 . 1 . . . . 85 K N . 16508 1
813 . 1 1 86 86 ARG H H 1 7.802 0.005 . 1 . . . . 86 R H . 16508 1
814 . 1 1 86 86 ARG HA H 1 4.112 0.009 . 1 . . . . 86 R HA . 16508 1
815 . 1 1 86 86 ARG HB2 H 1 1.822 0.011 . 2 . . . . 86 R HB2 . 16508 1
816 . 1 1 86 86 ARG HB3 H 1 1.667 0.000 . 2 . . . . 86 R HB3 . 16508 1
817 . 1 1 86 86 ARG HD2 H 1 3.175 0.000 . 2 . . . . 86 R QD . 16508 1
818 . 1 1 86 86 ARG HD3 H 1 3.175 0.000 . 2 . . . . 86 R QD . 16508 1
819 . 1 1 86 86 ARG HG2 H 1 1.610 0.005 . 2 . . . . 86 R QG . 16508 1
820 . 1 1 86 86 ARG HG3 H 1 1.610 0.005 . 2 . . . . 86 R QG . 16508 1
821 . 1 1 86 86 ARG C C 13 176.968 0.030 . 1 . . . . 86 R C . 16508 1
822 . 1 1 86 86 ARG CA C 13 57.462 0.159 . 1 . . . . 86 R CA . 16508 1
823 . 1 1 86 86 ARG CB C 13 30.633 0.099 . 1 . . . . 86 R CB . 16508 1
824 . 1 1 86 86 ARG N N 15 118.431 0.059 . 1 . . . . 86 R N . 16508 1
825 . 1 1 87 87 LYS H H 1 7.836 0.007 . 1 . . . . 87 K H . 16508 1
826 . 1 1 87 87 LYS HA H 1 4.582 0.009 . 1 . . . . 87 K HA . 16508 1
827 . 1 1 87 87 LYS HD2 H 1 1.584 0.008 . 2 . . . . 87 K QD . 16508 1
828 . 1 1 87 87 LYS HD3 H 1 1.584 0.008 . 2 . . . . 87 K QD . 16508 1
829 . 1 1 87 87 LYS HE2 H 1 2.906 0.000 . 2 . . . . 87 K QE . 16508 1
830 . 1 1 87 87 LYS HE3 H 1 2.906 0.000 . 2 . . . . 87 K QE . 16508 1
831 . 1 1 87 87 LYS HG2 H 1 1.356 0.006 . 2 . . . . 87 K QG . 16508 1
832 . 1 1 87 87 LYS HG3 H 1 1.356 0.006 . 2 . . . . 87 K QG . 16508 1
833 . 1 1 87 87 LYS C C 13 177.210 0.028 . 1 . . . . 87 K C . 16508 1
834 . 1 1 87 87 LYS CA C 13 57.500 0.036 . 1 . . . . 87 K CA . 16508 1
835 . 1 1 87 87 LYS CB C 13 32.940 0.030 . 1 . . . . 87 K CB . 16508 1
836 . 1 1 87 87 LYS CE C 13 42.141 0.000 . 1 . . . . 87 K CE . 16508 1
837 . 1 1 87 87 LYS N N 15 118.939 0.082 . 1 . . . . 87 K N . 16508 1
838 . 1 1 88 88 TYR H H 1 7.955 0.007 . 1 . . . . 88 Y H . 16508 1
839 . 1 1 88 88 TYR HA H 1 4.437 0.007 . 1 . . . . 88 Y HA . 16508 1
840 . 1 1 88 88 TYR HB2 H 1 2.726 0.010 . 2 . . . . 88 Y QB . 16508 1
841 . 1 1 88 88 TYR HB3 H 1 2.726 0.010 . 2 . . . . 88 Y QB . 16508 1
842 . 1 1 88 88 TYR C C 13 176.811 0.022 . 1 . . . . 88 Y C . 16508 1
843 . 1 1 88 88 TYR CA C 13 58.177 0.049 . 1 . . . . 88 Y CA . 16508 1
844 . 1 1 88 88 TYR N N 15 116.827 0.080 . 1 . . . . 88 Y N . 16508 1
845 . 1 1 89 89 TRP H H 1 7.907 0.004 . 1 . . . . 89 W H . 16508 1
846 . 1 1 89 89 TRP HA H 1 4.081 0.000 . 1 . . . . 89 W HA . 16508 1
847 . 1 1 89 89 TRP HB2 H 1 3.343 0.000 . 2 . . . . 89 W QB . 16508 1
848 . 1 1 89 89 TRP HB3 H 1 3.343 0.000 . 2 . . . . 89 W QB . 16508 1
849 . 1 1 89 89 TRP CA C 13 58.621 0.000 . 1 . . . . 89 W CA . 16508 1
850 . 1 1 89 89 TRP N N 15 120.554 0.094 . 1 . . . . 89 W N . 16508 1
851 . 1 1 90 90 TRP H H 1 7.068 0.001 . 1 . . . . 90 W H . 16508 1
852 . 1 1 90 90 TRP C C 13 175.552 0.000 . 1 . . . . 90 W C . 16508 1
853 . 1 1 90 90 TRP CA C 13 57.746 0.013 . 1 . . . . 90 W CA . 16508 1
854 . 1 1 90 90 TRP CB C 13 28.950 0.000 . 1 . . . . 90 W CB . 16508 1
855 . 1 1 90 90 TRP N N 15 120.030 0.015 . 1 . . . . 90 W N . 16508 1
856 . 1 1 91 91 LYS H H 1 7.390 0.005 . 1 . . . . 91 K H . 16508 1
857 . 1 1 91 91 LYS HA H 1 4.135 0.010 . 1 . . . . 91 K HA . 16508 1
858 . 1 1 91 91 LYS HB2 H 1 1.791 0.005 . 2 . . . . 91 K QB . 16508 1
859 . 1 1 91 91 LYS HB3 H 1 1.791 0.005 . 2 . . . . 91 K QB . 16508 1
860 . 1 1 91 91 LYS HD2 H 1 1.457 0.001 . 2 . . . . 91 K QD . 16508 1
861 . 1 1 91 91 LYS HD3 H 1 1.457 0.001 . 2 . . . . 91 K QD . 16508 1
862 . 1 1 91 91 LYS HE2 H 1 2.923 0.002 . 2 . . . . 91 K QE . 16508 1
863 . 1 1 91 91 LYS HE3 H 1 2.923 0.002 . 2 . . . . 91 K QE . 16508 1
864 . 1 1 91 91 LYS HG2 H 1 1.181 0.003 . 2 . . . . 91 K QG . 16508 1
865 . 1 1 91 91 LYS HG3 H 1 1.181 0.003 . 2 . . . . 91 K QG . 16508 1
866 . 1 1 91 91 LYS C C 13 175.973 0.003 . 1 . . . . 91 K C . 16508 1
867 . 1 1 91 91 LYS CA C 13 57.144 0.081 . 1 . . . . 91 K CA . 16508 1
868 . 1 1 91 91 LYS CB C 13 32.600 0.024 . 1 . . . . 91 K CB . 16508 1
869 . 1 1 91 91 LYS N N 15 117.647 0.049 . 1 . . . . 91 K N . 16508 1
870 . 1 1 92 92 ASN H H 1 7.668 0.006 . 1 . . . . 92 N H . 16508 1
871 . 1 1 92 92 ASN HA H 1 4.791 0.003 . 1 . . . . 92 N HA . 16508 1
872 . 1 1 92 92 ASN HB2 H 1 2.788 0.000 . 2 . . . . 92 N HB2 . 16508 1
873 . 1 1 92 92 ASN HB3 H 1 2.588 0.001 . 2 . . . . 92 N HB3 . 16508 1
874 . 1 1 92 92 ASN C C 13 174.915 0.050 . 1 . . . . 92 N C . 16508 1
875 . 1 1 92 92 ASN CA C 13 53.016 0.082 . 1 . . . . 92 N CA . 16508 1
876 . 1 1 92 92 ASN CB C 13 39.908 0.013 . 1 . . . . 92 N CB . 16508 1
877 . 1 1 92 92 ASN N N 15 117.620 0.039 . 1 . . . . 92 N N . 16508 1
878 . 1 1 93 93 LEU H H 1 8.451 0.004 . 1 . . . . 93 L H . 16508 1
879 . 1 1 93 93 LEU HA H 1 4.037 0.007 . 1 . . . . 93 L HA . 16508 1
880 . 1 1 93 93 LEU HB2 H 1 1.705 0.000 . 2 . . . . 93 L QB . 16508 1
881 . 1 1 93 93 LEU HB3 H 1 1.705 0.000 . 2 . . . . 93 L QB . 16508 1
882 . 1 1 93 93 LEU HD11 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
883 . 1 1 93 93 LEU HD12 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
884 . 1 1 93 93 LEU HD13 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
885 . 1 1 93 93 LEU HD21 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
886 . 1 1 93 93 LEU HD22 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
887 . 1 1 93 93 LEU HD23 H 1 0.928 0.000 . 1 . . . . 93 L QQD . 16508 1
888 . 1 1 93 93 LEU C C 13 177.589 0.000 . 1 . . . . 93 L C . 16508 1
889 . 1 1 93 93 LEU CA C 13 58.336 0.027 . 1 . . . . 93 L CA . 16508 1
890 . 1 1 93 93 LEU CB C 13 42.002 0.000 . 1 . . . . 93 L CB . 16508 1
891 . 1 1 93 93 LEU N N 15 124.309 0.036 . 1 . . . . 93 L N . 16508 1
892 . 1 1 94 94 LYS H H 1 8.207 0.003 . 1 . . . . 94 K H . 16508 1
893 . 1 1 94 94 LYS HA H 1 3.817 0.027 . 1 . . . . 94 K HA . 16508 1
894 . 1 1 94 94 LYS HB2 H 1 1.902 0.008 . 2 . . . . 94 K HB2 . 16508 1
895 . 1 1 94 94 LYS HB3 H 1 1.710 0.000 . 2 . . . . 94 K HB3 . 16508 1
896 . 1 1 94 94 LYS HD2 H 1 1.507 0.008 . 2 . . . . 94 K QD . 16508 1
897 . 1 1 94 94 LYS HD3 H 1 1.507 0.008 . 2 . . . . 94 K QD . 16508 1
898 . 1 1 94 94 LYS HE2 H 1 2.917 0.001 . 2 . . . . 94 K QE . 16508 1
899 . 1 1 94 94 LYS HE3 H 1 2.917 0.001 . 2 . . . . 94 K QE . 16508 1
900 . 1 1 94 94 LYS HG2 H 1 1.313 0.005 . 2 . . . . 94 K QG . 16508 1
901 . 1 1 94 94 LYS HG3 H 1 1.313 0.005 . 2 . . . . 94 K QG . 16508 1
902 . 1 1 94 94 LYS C C 13 177.736 0.020 . 1 . . . . 94 K C . 16508 1
903 . 1 1 94 94 LYS CA C 13 60.745 0.039 . 1 . . . . 94 K CA . 16508 1
904 . 1 1 94 94 LYS CB C 13 32.282 0.023 . 1 . . . . 94 K CB . 16508 1
905 . 1 1 94 94 LYS CE C 13 42.119 0.000 . 1 . . . . 94 K CE . 16508 1
906 . 1 1 94 94 LYS N N 15 117.651 0.065 . 1 . . . . 94 K N . 16508 1
907 . 1 1 95 95 MET H H 1 7.958 0.004 . 1 . . . . 95 M H . 16508 1
908 . 1 1 95 95 MET HA H 1 4.210 0.011 . 1 . . . . 95 M HA . 16508 1
909 . 1 1 95 95 MET HB2 H 1 2.112 0.002 . 2 . . . . 95 M QB . 16508 1
910 . 1 1 95 95 MET HB3 H 1 2.112 0.002 . 2 . . . . 95 M QB . 16508 1
911 . 1 1 95 95 MET HE1 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1
912 . 1 1 95 95 MET HE2 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1
913 . 1 1 95 95 MET HE3 H 1 1.818 0.006 . 1 . . . . 95 M QE . 16508 1
914 . 1 1 95 95 MET HG2 H 1 2.581 0.000 . 2 . . . . 95 M QG . 16508 1
915 . 1 1 95 95 MET HG3 H 1 2.581 0.000 . 2 . . . . 95 M QG . 16508 1
916 . 1 1 95 95 MET C C 13 177.800 0.017 . 1 . . . . 95 M C . 16508 1
917 . 1 1 95 95 MET CA C 13 58.097 0.100 . 1 . . . . 95 M CA . 16508 1
918 . 1 1 95 95 MET CB C 13 32.502 0.045 . 1 . . . . 95 M CB . 16508 1
919 . 1 1 95 95 MET N N 15 115.523 0.051 . 1 . . . . 95 M N . 16508 1
920 . 1 1 96 96 MET H H 1 8.001 0.007 . 1 . . . . 96 M H . 16508 1
921 . 1 1 96 96 MET HA H 1 4.222 0.017 . 1 . . . . 96 M HA . 16508 1
922 . 1 1 96 96 MET HG2 H 1 2.588 0.006 . 2 . . . . 96 M QG . 16508 1
923 . 1 1 96 96 MET HG3 H 1 2.588 0.006 . 2 . . . . 96 M QG . 16508 1
924 . 1 1 96 96 MET C C 13 178.007 0.012 . 1 . . . . 96 M C . 16508 1
925 . 1 1 96 96 MET CA C 13 58.341 0.051 . 1 . . . . 96 M CA . 16508 1
926 . 1 1 96 96 MET CB C 13 32.328 0.074 . 1 . . . . 96 M CB . 16508 1
927 . 1 1 96 96 MET N N 15 116.603 0.077 . 1 . . . . 96 M N . 16508 1
928 . 1 1 97 97 ILE H H 1 8.218 0.005 . 1 . . . . 97 I H . 16508 1
929 . 1 1 97 97 ILE HA H 1 3.698 0.010 . 1 . . . . 97 I HA . 16508 1
930 . 1 1 97 97 ILE HB H 1 2.050 0.013 . 1 . . . . 97 I HB . 16508 1
931 . 1 1 97 97 ILE HD11 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1
932 . 1 1 97 97 ILE HD12 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1
933 . 1 1 97 97 ILE HD13 H 1 0.876 0.013 . 1 . . . . 97 I QD1 . 16508 1
934 . 1 1 97 97 ILE HG12 H 1 1.296 0.004 . 1 . . . . 97 I QG1 . 16508 1
935 . 1 1 97 97 ILE HG13 H 1 1.296 0.004 . 1 . . . . 97 I QG1 . 16508 1
936 . 1 1 97 97 ILE HG21 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1
937 . 1 1 97 97 ILE HG22 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1
938 . 1 1 97 97 ILE HG23 H 1 1.064 0.005 . 1 . . . . 97 I QG2 . 16508 1
939 . 1 1 97 97 ILE C C 13 177.168 0.046 . 1 . . . . 97 I C . 16508 1
940 . 1 1 97 97 ILE CA C 13 65.400 0.156 . 1 . . . . 97 I CA . 16508 1
941 . 1 1 97 97 ILE CB C 13 37.563 0.048 . 1 . . . . 97 I CB . 16508 1
942 . 1 1 97 97 ILE N N 15 118.065 0.070 . 1 . . . . 97 I N . 16508 1
943 . 1 1 98 98 ILE H H 1 7.877 0.005 . 1 . . . . 98 I H . 16508 1
944 . 1 1 98 98 ILE HA H 1 3.574 0.012 . 1 . . . . 98 I HA . 16508 1
945 . 1 1 98 98 ILE HB H 1 2.026 0.015 . 1 . . . . 98 I HB . 16508 1
946 . 1 1 98 98 ILE HD11 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1
947 . 1 1 98 98 ILE HD12 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1
948 . 1 1 98 98 ILE HD13 H 1 0.894 0.004 . 1 . . . . 98 I QD1 . 16508 1
949 . 1 1 98 98 ILE HG12 H 1 1.304 0.000 . 1 . . . . 98 I QG1 . 16508 1
950 . 1 1 98 98 ILE HG13 H 1 1.304 0.000 . 1 . . . . 98 I QG1 . 16508 1
951 . 1 1 98 98 ILE HG21 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1
952 . 1 1 98 98 ILE HG22 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1
953 . 1 1 98 98 ILE HG23 H 1 1.046 0.002 . 1 . . . . 98 I QG2 . 16508 1
954 . 1 1 98 98 ILE C C 13 177.288 0.006 . 1 . . . . 98 I C . 16508 1
955 . 1 1 98 98 ILE CA C 13 66.021 0.068 . 1 . . . . 98 I CA . 16508 1
956 . 1 1 98 98 ILE CB C 13 37.645 0.055 . 1 . . . . 98 I CB . 16508 1
957 . 1 1 98 98 ILE N N 15 118.726 0.058 . 1 . . . . 98 I N . 16508 1
958 . 1 1 99 99 LEU H H 1 8.335 0.004 . 1 . . . . 99 L H . 16508 1
959 . 1 1 99 99 LEU HA H 1 4.034 0.010 . 1 . . . . 99 L HA . 16508 1
960 . 1 1 99 99 LEU HB2 H 1 1.865 0.008 . 2 . . . . 99 L QB . 16508 1
961 . 1 1 99 99 LEU HB3 H 1 1.865 0.008 . 2 . . . . 99 L QB . 16508 1
962 . 1 1 99 99 LEU HD11 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
963 . 1 1 99 99 LEU HD12 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
964 . 1 1 99 99 LEU HD13 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
965 . 1 1 99 99 LEU HD21 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
966 . 1 1 99 99 LEU HD22 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
967 . 1 1 99 99 LEU HD23 H 1 0.895 0.004 . 1 . . . . 99 L QQD . 16508 1
968 . 1 1 99 99 LEU HG H 1 1.667 0.010 . 1 . . . . 99 L HG . 16508 1
969 . 1 1 99 99 LEU C C 13 178.887 0.009 . 1 . . . . 99 L C . 16508 1
970 . 1 1 99 99 LEU CA C 13 58.304 0.062 . 1 . . . . 99 L CA . 16508 1
971 . 1 1 99 99 LEU CB C 13 41.747 0.138 . 1 . . . . 99 L CB . 16508 1
972 . 1 1 99 99 LEU N N 15 117.951 0.061 . 1 . . . . 99 L N . 16508 1
973 . 1 1 100 100 GLY H H 1 8.597 0.004 . 1 . . . . 100 G H . 16508 1
974 . 1 1 100 100 GLY HA2 H 1 3.620 0.004 . 2 . . . . 100 G QA . 16508 1
975 . 1 1 100 100 GLY HA3 H 1 3.620 0.004 . 2 . . . . 100 G QA . 16508 1
976 . 1 1 100 100 GLY C C 13 174.313 0.071 . 1 . . . . 100 G C . 16508 1
977 . 1 1 100 100 GLY CA C 13 47.880 0.047 . 1 . . . . 100 G CA . 16508 1
978 . 1 1 100 100 GLY N N 15 107.337 0.028 . 1 . . . . 100 G N . 16508 1
979 . 1 1 101 101 VAL H H 1 8.474 0.004 . 1 . . . . 101 V H . 16508 1
980 . 1 1 101 101 VAL HA H 1 3.558 0.014 . 1 . . . . 101 V HA . 16508 1
981 . 1 1 101 101 VAL HB H 1 2.273 0.006 . 1 . . . . 101 V HB . 16508 1
982 . 1 1 101 101 VAL HG11 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
983 . 1 1 101 101 VAL HG12 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
984 . 1 1 101 101 VAL HG13 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
985 . 1 1 101 101 VAL HG21 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
986 . 1 1 101 101 VAL HG22 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
987 . 1 1 101 101 VAL HG23 H 1 1.037 0.000 . 1 . . . . 101 V QQG . 16508 1
988 . 1 1 101 101 VAL C C 13 177.371 0.027 . 1 . . . . 101 V C . 16508 1
989 . 1 1 101 101 VAL CA C 13 67.304 0.051 . 1 . . . . 101 V CA . 16508 1
990 . 1 1 101 101 VAL CB C 13 31.133 0.119 . 1 . . . . 101 V CB . 16508 1
991 . 1 1 101 101 VAL N N 15 120.931 0.057 . 1 . . . . 101 V N . 16508 1
992 . 1 1 102 102 ILE H H 1 8.197 0.006 . 1 . . . . 102 I H . 16508 1
993 . 1 1 102 102 ILE HA H 1 3.592 0.008 . 1 . . . . 102 I HA . 16508 1
994 . 1 1 102 102 ILE HB H 1 2.088 0.005 . 1 . . . . 102 I HB . 16508 1
995 . 1 1 102 102 ILE HD11 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1
996 . 1 1 102 102 ILE HD12 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1
997 . 1 1 102 102 ILE HD13 H 1 0.882 0.004 . 1 . . . . 102 I QD1 . 16508 1
998 . 1 1 102 102 ILE HG12 H 1 1.295 0.003 . 1 . . . . 102 I QG1 . 16508 1
999 . 1 1 102 102 ILE HG13 H 1 1.295 0.003 . 1 . . . . 102 I QG1 . 16508 1
1000 . 1 1 102 102 ILE HG21 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1
1001 . 1 1 102 102 ILE HG22 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1
1002 . 1 1 102 102 ILE HG23 H 1 1.050 0.000 . 1 . . . . 102 I QG2 . 16508 1
1003 . 1 1 102 102 ILE C C 13 177.560 0.025 . 1 . . . . 102 I C . 16508 1
1004 . 1 1 102 102 ILE CA C 13 65.925 0.067 . 1 . . . . 102 I CA . 16508 1
1005 . 1 1 102 102 ILE CB C 13 37.468 0.097 . 1 . . . . 102 I CB . 16508 1
1006 . 1 1 102 102 ILE N N 15 118.758 0.060 . 1 . . . . 102 I N . 16508 1
1007 . 1 1 103 103 CYS H H 1 8.453 0.003 . 1 . . . . 103 C H . 16508 1
1008 . 1 1 103 103 CYS HA H 1 3.941 0.008 . 1 . . . . 103 C HA . 16508 1
1009 . 1 1 103 103 CYS HB2 H 1 3.131 0.007 . 2 . . . . 103 C HB2 . 16508 1
1010 . 1 1 103 103 CYS HB3 H 1 2.586 0.011 . 2 . . . . 103 C HB3 . 16508 1
1011 . 1 1 103 103 CYS HG H 1 2.404 0.007 . 1 . . . . 103 C HG . 16508 1
1012 . 1 1 103 103 CYS C C 13 175.906 0.021 . 1 . . . . 103 C C . 16508 1
1013 . 1 1 103 103 CYS CA C 13 65.025 0.063 . 1 . . . . 103 C CA . 16508 1
1014 . 1 1 103 103 CYS CB C 13 26.786 0.087 . 1 . . . . 103 C CB . 16508 1
1015 . 1 1 103 103 CYS N N 15 116.586 0.026 . 1 . . . . 103 C N . 16508 1
1016 . 1 1 104 104 ALA H H 1 8.318 0.005 . 1 . . . . 104 A H . 16508 1
1017 . 1 1 104 104 ALA HA H 1 3.915 0.007 . 1 . . . . 104 A HA . 16508 1
1018 . 1 1 104 104 ALA HB1 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1
1019 . 1 1 104 104 ALA HB2 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1
1020 . 1 1 104 104 ALA HB3 H 1 1.441 0.008 . 1 . . . . 104 A QB . 16508 1
1021 . 1 1 104 104 ALA C C 13 178.440 0.011 . 1 . . . . 104 A C . 16508 1
1022 . 1 1 104 104 ALA CA C 13 55.749 0.058 . 1 . . . . 104 A CA . 16508 1
1023 . 1 1 104 104 ALA CB C 13 17.664 0.120 . 1 . . . . 104 A CB . 16508 1
1024 . 1 1 104 104 ALA N N 15 120.446 0.097 . 1 . . . . 104 A N . 16508 1
1025 . 1 1 105 105 ILE H H 1 8.180 0.005 . 1 . . . . 105 I H . 16508 1
1026 . 1 1 105 105 ILE HA H 1 3.572 0.003 . 1 . . . . 105 I HA . 16508 1
1027 . 1 1 105 105 ILE HB H 1 2.059 0.002 . 1 . . . . 105 I HB . 16508 1
1028 . 1 1 105 105 ILE HD11 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1
1029 . 1 1 105 105 ILE HD12 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1
1030 . 1 1 105 105 ILE HD13 H 1 0.782 0.006 . 1 . . . . 105 I QD1 . 16508 1
1031 . 1 1 105 105 ILE HG12 H 1 1.670 0.004 . 1 . . . . 105 I QG1 . 16508 1
1032 . 1 1 105 105 ILE HG13 H 1 1.670 0.004 . 1 . . . . 105 I QG1 . 16508 1
1033 . 1 1 105 105 ILE HG21 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1
1034 . 1 1 105 105 ILE HG22 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1
1035 . 1 1 105 105 ILE HG23 H 1 0.873 0.011 . 1 . . . . 105 I QG2 . 16508 1
1036 . 1 1 105 105 ILE C C 13 177.355 0.018 . 1 . . . . 105 I C . 16508 1
1037 . 1 1 105 105 ILE CA C 13 65.658 0.120 . 1 . . . . 105 I CA . 16508 1
1038 . 1 1 105 105 ILE CB C 13 37.627 0.041 . 1 . . . . 105 I CB . 16508 1
1039 . 1 1 105 105 ILE N N 15 116.469 0.052 . 1 . . . . 105 I N . 16508 1
1040 . 1 1 106 106 ILE H H 1 8.147 0.005 . 1 . . . . 106 I H . 16508 1
1041 . 1 1 106 106 ILE HA H 1 3.556 0.002 . 1 . . . . 106 I HA . 16508 1
1042 . 1 1 106 106 ILE HB H 1 2.042 0.000 . 1 . . . . 106 I HB . 16508 1
1043 . 1 1 106 106 ILE HD11 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1
1044 . 1 1 106 106 ILE HD12 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1
1045 . 1 1 106 106 ILE HD13 H 1 0.858 0.000 . 1 . . . . 106 I QD1 . 16508 1
1046 . 1 1 106 106 ILE HG12 H 1 1.283 0.008 . 1 . . . . 106 I QG1 . 16508 1
1047 . 1 1 106 106 ILE HG13 H 1 1.283 0.008 . 1 . . . . 106 I QG1 . 16508 1
1048 . 1 1 106 106 ILE HG21 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1
1049 . 1 1 106 106 ILE HG22 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1
1050 . 1 1 106 106 ILE HG23 H 1 1.007 0.002 . 1 . . . . 106 I QG2 . 16508 1
1051 . 1 1 106 106 ILE C C 13 177.214 0.057 . 1 . . . . 106 I C . 16508 1
1052 . 1 1 106 106 ILE CA C 13 65.936 0.048 . 1 . . . . 106 I CA . 16508 1
1053 . 1 1 106 106 ILE CB C 13 37.235 0.074 . 1 . . . . 106 I CB . 16508 1
1054 . 1 1 106 106 ILE N N 15 118.728 0.066 . 1 . . . . 106 I N . 16508 1
1055 . 1 1 107 107 LEU H H 1 8.292 0.004 . 1 . . . . 107 L H . 16508 1
1056 . 1 1 107 107 LEU HA H 1 3.990 0.009 . 1 . . . . 107 L HA . 16508 1
1057 . 1 1 107 107 LEU HB2 H 1 1.889 0.014 . 2 . . . . 107 L QB . 16508 1
1058 . 1 1 107 107 LEU HB3 H 1 1.889 0.014 . 2 . . . . 107 L QB . 16508 1
1059 . 1 1 107 107 LEU HD11 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1060 . 1 1 107 107 LEU HD12 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1061 . 1 1 107 107 LEU HD13 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1062 . 1 1 107 107 LEU HD21 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1063 . 1 1 107 107 LEU HD22 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1064 . 1 1 107 107 LEU HD23 H 1 0.855 0.000 . 1 . . . . 107 L QQD . 16508 1
1065 . 1 1 107 107 LEU HG H 1 1.615 0.003 . 1 . . . . 107 L HG . 16508 1
1066 . 1 1 107 107 LEU C C 13 178.400 0.014 . 1 . . . . 107 L C . 16508 1
1067 . 1 1 107 107 LEU CA C 13 58.684 0.087 . 1 . . . . 107 L CA . 16508 1
1068 . 1 1 107 107 LEU CB C 13 41.687 0.049 . 1 . . . . 107 L CB . 16508 1
1069 . 1 1 107 107 LEU N N 15 118.368 0.051 . 1 . . . . 107 L N . 16508 1
1070 . 1 1 108 108 ILE H H 1 8.310 0.004 . 1 . . . . 108 I H . 16508 1
1071 . 1 1 108 108 ILE HA H 1 3.592 0.011 . 1 . . . . 108 I HA . 16508 1
1072 . 1 1 108 108 ILE HB H 1 2.094 0.006 . 1 . . . . 108 I HB . 16508 1
1073 . 1 1 108 108 ILE HD11 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1
1074 . 1 1 108 108 ILE HD12 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1
1075 . 1 1 108 108 ILE HD13 H 1 0.866 0.000 . 1 . . . . 108 I QD1 . 16508 1
1076 . 1 1 108 108 ILE HG12 H 1 1.445 0.003 . 1 . . . . 108 I QG1 . 16508 1
1077 . 1 1 108 108 ILE HG13 H 1 1.445 0.003 . 1 . . . . 108 I QG1 . 16508 1
1078 . 1 1 108 108 ILE HG21 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1
1079 . 1 1 108 108 ILE HG22 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1
1080 . 1 1 108 108 ILE HG23 H 1 1.013 0.000 . 1 . . . . 108 I QG2 . 16508 1
1081 . 1 1 108 108 ILE C C 13 177.311 0.016 . 1 . . . . 108 I C . 16508 1
1082 . 1 1 108 108 ILE CA C 13 66.004 0.053 . 1 . . . . 108 I CA . 16508 1
1083 . 1 1 108 108 ILE CB C 13 37.758 0.016 . 1 . . . . 108 I CB . 16508 1
1084 . 1 1 108 108 ILE N N 15 118.031 0.041 . 1 . . . . 108 I N . 16508 1
1085 . 1 1 109 109 ILE H H 1 8.305 0.004 . 1 . . . . 109 I H . 16508 1
1086 . 1 1 109 109 ILE HA H 1 3.581 0.010 . 1 . . . . 109 I HA . 16508 1
1087 . 1 1 109 109 ILE HB H 1 2.134 0.000 . 1 . . . . 109 I HB . 16508 1
1088 . 1 1 109 109 ILE HD11 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1
1089 . 1 1 109 109 ILE HD12 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1
1090 . 1 1 109 109 ILE HD13 H 1 0.876 0.000 . 1 . . . . 109 I QD1 . 16508 1
1091 . 1 1 109 109 ILE HG12 H 1 1.294 0.003 . 1 . . . . 109 I QG1 . 16508 1
1092 . 1 1 109 109 ILE HG13 H 1 1.294 0.003 . 1 . . . . 109 I QG1 . 16508 1
1093 . 1 1 109 109 ILE HG21 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1
1094 . 1 1 109 109 ILE HG22 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1
1095 . 1 1 109 109 ILE HG23 H 1 1.038 0.002 . 1 . . . . 109 I QG2 . 16508 1
1096 . 1 1 109 109 ILE C C 13 177.643 0.008 . 1 . . . . 109 I C . 16508 1
1097 . 1 1 109 109 ILE CA C 13 66.293 0.011 . 1 . . . . 109 I CA . 16508 1
1098 . 1 1 109 109 ILE CB C 13 37.510 0.058 . 1 . . . . 109 I CB . 16508 1
1099 . 1 1 109 109 ILE CG2 C 13 17.959 0.000 . 1 . . . . 109 I CG2 . 16508 1
1100 . 1 1 109 109 ILE N N 15 119.316 0.052 . 1 . . . . 109 I N . 16508 1
1101 . 1 1 110 110 ILE H H 1 8.361 0.004 . 1 . . . . 110 I H . 16508 1
1102 . 1 1 110 110 ILE HA H 1 3.744 0.014 . 1 . . . . 110 I HA . 16508 1
1103 . 1 1 110 110 ILE HB H 1 2.203 0.009 . 1 . . . . 110 I HB . 16508 1
1104 . 1 1 110 110 ILE HD11 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1
1105 . 1 1 110 110 ILE HD12 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1
1106 . 1 1 110 110 ILE HD13 H 1 0.855 0.005 . 1 . . . . 110 I QD1 . 16508 1
1107 . 1 1 110 110 ILE HG21 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1
1108 . 1 1 110 110 ILE HG22 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1
1109 . 1 1 110 110 ILE HG23 H 1 1.044 0.006 . 1 . . . . 110 I QG2 . 16508 1
1110 . 1 1 110 110 ILE C C 13 177.760 0.020 . 1 . . . . 110 I C . 16508 1
1111 . 1 1 110 110 ILE CA C 13 66.203 0.068 . 1 . . . . 110 I CA . 16508 1
1112 . 1 1 110 110 ILE CB C 13 37.819 0.052 . 1 . . . . 110 I CB . 16508 1
1113 . 1 1 110 110 ILE N N 15 119.170 0.033 . 1 . . . . 110 I N . 16508 1
1114 . 1 1 111 111 ILE H H 1 8.540 0.005 . 1 . . . . 111 I H . 16508 1
1115 . 1 1 111 111 ILE HA H 1 3.735 0.006 . 1 . . . . 111 I HA . 16508 1
1116 . 1 1 111 111 ILE HB H 1 1.973 0.015 . 1 . . . . 111 I HB . 16508 1
1117 . 1 1 111 111 ILE HD11 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1
1118 . 1 1 111 111 ILE HD12 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1
1119 . 1 1 111 111 ILE HD13 H 1 0.855 0.007 . 1 . . . . 111 I QD1 . 16508 1
1120 . 1 1 111 111 ILE HG12 H 1 1.290 0.007 . 1 . . . . 111 I QG1 . 16508 1
1121 . 1 1 111 111 ILE HG13 H 1 1.290 0.007 . 1 . . . . 111 I QG1 . 16508 1
1122 . 1 1 111 111 ILE HG21 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1
1123 . 1 1 111 111 ILE HG22 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1
1124 . 1 1 111 111 ILE HG23 H 1 1.077 0.002 . 1 . . . . 111 I QG2 . 16508 1
1125 . 1 1 111 111 ILE C C 13 179.030 0.011 . 1 . . . . 111 I C . 16508 1
1126 . 1 1 111 111 ILE CA C 13 66.031 0.040 . 1 . . . . 111 I CA . 16508 1
1127 . 1 1 111 111 ILE CB C 13 37.876 0.073 . 1 . . . . 111 I CB . 16508 1
1128 . 1 1 111 111 ILE N N 15 119.351 0.034 . 1 . . . . 111 I N . 16508 1
1129 . 1 1 112 112 VAL H H 1 8.818 0.004 . 1 . . . . 112 V H . 16508 1
1130 . 1 1 112 112 VAL HA H 1 3.565 0.004 . 1 . . . . 112 V HA . 16508 1
1131 . 1 1 112 112 VAL HB H 1 2.244 0.011 . 1 . . . . 112 V HB . 16508 1
1132 . 1 1 112 112 VAL HG11 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1133 . 1 1 112 112 VAL HG12 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1134 . 1 1 112 112 VAL HG13 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1135 . 1 1 112 112 VAL HG21 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1136 . 1 1 112 112 VAL HG22 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1137 . 1 1 112 112 VAL HG23 H 1 1.069 0.010 . 1 . . . . 112 V QQG . 16508 1
1138 . 1 1 112 112 VAL C C 13 178.414 0.015 . 1 . . . . 112 V C . 16508 1
1139 . 1 1 112 112 VAL CA C 13 67.272 0.043 . 1 . . . . 112 V CA . 16508 1
1140 . 1 1 112 112 VAL CB C 13 31.736 0.200 . 1 . . . . 112 V CB . 16508 1
1141 . 1 1 112 112 VAL N N 15 120.212 0.034 . 1 . . . . 112 V N . 16508 1
1142 . 1 1 113 113 TYR H H 1 8.863 0.004 . 1 . . . . 113 Y H . 16508 1
1143 . 1 1 113 113 TYR HA H 1 4.004 0.007 . 1 . . . . 113 Y HA . 16508 1
1144 . 1 1 113 113 TYR HB2 H 1 2.968 0.008 . 2 . . . . 113 Y QB . 16508 1
1145 . 1 1 113 113 TYR HB3 H 1 2.968 0.008 . 2 . . . . 113 Y QB . 16508 1
1146 . 1 1 113 113 TYR HD1 H 1 6.486 0.004 . 3 . . . . 113 Y QD . 16508 1
1147 . 1 1 113 113 TYR HD2 H 1 6.486 0.004 . 3 . . . . 113 Y QD . 16508 1
1148 . 1 1 113 113 TYR C C 13 177.202 0.040 . 1 . . . . 113 Y C . 16508 1
1149 . 1 1 113 113 TYR CA C 13 62.356 0.016 . 1 . . . . 113 Y CA . 16508 1
1150 . 1 1 113 113 TYR CB C 13 38.867 0.046 . 1 . . . . 113 Y CB . 16508 1
1151 . 1 1 113 113 TYR N N 15 120.271 0.048 . 1 . . . . 113 Y N . 16508 1
1152 . 1 1 114 114 PHE H H 1 8.216 0.003 . 1 . . . . 114 F H . 16508 1
1153 . 1 1 114 114 PHE HA H 1 4.498 0.011 . 1 . . . . 114 F HA . 16508 1
1154 . 1 1 114 114 PHE HB2 H 1 3.423 0.005 . 2 . . . . 114 F HB2 . 16508 1
1155 . 1 1 114 114 PHE HB3 H 1 3.080 0.005 . 2 . . . . 114 F HB3 . 16508 1
1156 . 1 1 114 114 PHE HD1 H 1 7.596 0.013 . 3 . . . . 114 F QD . 16508 1
1157 . 1 1 114 114 PHE HD2 H 1 7.596 0.013 . 3 . . . . 114 F QD . 16508 1
1158 . 1 1 114 114 PHE C C 13 176.207 0.023 . 1 . . . . 114 F C . 16508 1
1159 . 1 1 114 114 PHE CA C 13 60.256 0.040 . 1 . . . . 114 F CA . 16508 1
1160 . 1 1 114 114 PHE CB C 13 39.523 0.060 . 1 . . . . 114 F CB . 16508 1
1161 . 1 1 114 114 PHE N N 15 113.342 0.022 . 1 . . . . 114 F N . 16508 1
1162 . 1 1 115 115 SER H H 1 7.831 0.002 . 1 . . . . 115 S H . 16508 1
1163 . 1 1 115 115 SER HA H 1 4.607 0.010 . 1 . . . . 115 S HA . 16508 1
1164 . 1 1 115 115 SER HB2 H 1 4.021 0.006 . 2 . . . . 115 S QB . 16508 1
1165 . 1 1 115 115 SER HB3 H 1 4.021 0.006 . 2 . . . . 115 S QB . 16508 1
1166 . 1 1 115 115 SER C C 13 173.342 0.005 . 1 . . . . 115 S C . 16508 1
1167 . 1 1 115 115 SER CA C 13 59.847 0.035 . 1 . . . . 115 S CA . 16508 1
1168 . 1 1 115 115 SER CB C 13 64.526 0.067 . 1 . . . . 115 S CB . 16508 1
1169 . 1 1 115 115 SER N N 15 114.167 0.032 . 1 . . . . 115 S N . 16508 1
1170 . 1 1 116 116 THR H H 1 7.259 0.003 . 1 . . . . 116 T H . 16508 1
1171 . 1 1 116 116 THR HA H 1 4.172 0.006 . 1 . . . . 116 T HA . 16508 1
1172 . 1 1 116 116 THR HB H 1 4.244 0.004 . 1 . . . . 116 T HB . 16508 1
1173 . 1 1 116 116 THR HG21 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1
1174 . 1 1 116 116 THR HG22 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1
1175 . 1 1 116 116 THR HG23 H 1 1.214 0.005 . 1 . . . . 116 T QG2 . 16508 1
1176 . 1 1 116 116 THR C C 13 178.540 0.000 . 1 . . . . 116 T C . 16508 1
1177 . 1 1 116 116 THR CA C 13 63.280 0.066 . 1 . . . . 116 T CA . 16508 1
1178 . 1 1 116 116 THR CB C 13 71.047 0.121 . 1 . . . . 116 T CB . 16508 1
1179 . 1 1 116 116 THR N N 15 118.137 0.025 . 1 . . . . 116 T N . 16508 1
stop_
save_