Content for NMR-STAR saveframe, "E73_CS_Assignment"
save_E73_CS_Assignment
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode E73_CS_Assignment
_Assigned_chem_shift_list.Entry_ID 16177
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $E73_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' . . . 16177 1
2 '3D HCCH-TOCSY' . . . 16177 1
3 '3D HBHA(CO)NH' . . . 16177 1
4 '2D 1H-13C HSQC' . . . 16177 1
5 '3D HNCA' . . . 16177 1
6 '3D H(CCO)NH' . . . 16177 1
7 '3D C(CO)NH' . . . 16177 1
8 '3D CBCA(CO)NH' . . . 16177 1
9 '3D HNCACB' . . . 16177 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 8 8 MET HA H 1 4.343 0.013 . . 6 . . . 1 M HA . 16177 1
2 . 1 1 8 8 MET HB2 H 1 1.900 0.008 . . 4 . . . 1 M HB2 . 16177 1
3 . 1 1 8 8 MET HG2 H 1 2.364 0.016 . . 3 . . . 1 M HG2 . 16177 1
4 . 1 1 8 8 MET CA C 13 55.976 0.084 . . 7 . . . 1 M CA . 16177 1
5 . 1 1 8 8 MET CB C 13 33.446 0.064 . . 4 . . . 1 M CB . 16177 1
6 . 1 1 8 8 MET CG C 13 32.504 0.3 . . 1 . . . 1 M CG . 16177 1
7 . 1 1 9 9 VAL H H 1 8.021 0.014 . . 20 . . . 2 V H . 16177 1
8 . 1 1 9 9 VAL HA H 1 3.975 0.009 . . 12 . . . 2 V HA . 16177 1
9 . 1 1 9 9 VAL HB H 1 1.938 0.007 . . 9 . . . 2 V HB . 16177 1
10 . 1 1 9 9 VAL HG11 H 1 0.803 0.009 . . 12 . . . 2 V HG11 . 16177 1
11 . 1 1 9 9 VAL HG12 H 1 0.803 0.009 . . 12 . . . 2 V HG11 . 16177 1
12 . 1 1 9 9 VAL HG13 H 1 0.803 0.009 . . 12 . . . 2 V HG11 . 16177 1
13 . 1 1 9 9 VAL CA C 13 62.802 0.102 . . 10 . . . 2 V CA . 16177 1
14 . 1 1 9 9 VAL CB C 13 33.192 0.076 . . 6 . . . 2 V CB . 16177 1
15 . 1 1 9 9 VAL CG1 C 13 21.239 0.072 . . 4 . . . 2 V CG1 . 16177 1
16 . 1 1 9 9 VAL CG2 C 13 21.351 0.034 . . 2 . . . 2 V CG2 . 16177 1
17 . 1 1 9 9 VAL N N 15 121.358 0.127 . . 20 . . . 2 V N . 16177 1
18 . 1 1 10 10 GLU H H 1 8.353 0.006 . . 18 . . . 3 E H . 16177 1
19 . 1 1 10 10 GLU HA H 1 4.195 0.016 . . 4 . . . 3 E HA . 16177 1
20 . 1 1 10 10 GLU HB2 H 1 1.888 0.012 . . 4 . . . 3 E HB2 . 16177 1
21 . 1 1 10 10 GLU HG2 H 1 2.132 0.005 . . 7 . . . 3 E HG2 . 16177 1
22 . 1 1 10 10 GLU CA C 13 56.968 0.063 . . 6 . . . 3 E CA . 16177 1
23 . 1 1 10 10 GLU CB C 13 30.819 0.106 . . 5 . . . 3 E CB . 16177 1
24 . 1 1 10 10 GLU CG C 13 36.677 0.029 . . 5 . . . 3 E CG . 16177 1
25 . 1 1 10 10 GLU N N 15 124.728 0.114 . . 18 . . . 3 E N . 16177 1
26 . 1 1 11 11 SER H H 1 8.189 0.009 . . 13 . . . 4 S H . 16177 1
27 . 1 1 11 11 SER HA H 1 4.284 0.007 . . 7 . . . 4 S HA . 16177 1
28 . 1 1 11 11 SER HB2 H 1 3.741 0.005 . . 4 . . . 4 S HB2 . 16177 1
29 . 1 1 11 11 SER HB3 H 1 3.742 0.01 . . 1 . . . 4 S HB3 . 16177 1
30 . 1 1 11 11 SER CA C 13 58.859 0.101 . . 8 . . . 4 S CA . 16177 1
31 . 1 1 11 11 SER CB C 13 64.084 0.337 . . 5 . . . 4 S CB . 16177 1
32 . 1 1 11 11 SER N N 15 117.206 0.056 . . 13 . . . 4 S N . 16177 1
33 . 1 1 12 12 LYS H H 1 8.119 0.006 . . 15 . . . 5 K H . 16177 1
34 . 1 1 12 12 LYS HA H 1 3.986 0.01 . . 1 . . . 5 K HA . 16177 1
35 . 1 1 12 12 LYS HB2 H 1 1.679 0.004 . . 3 . . . 5 K HB2 . 16177 1
36 . 1 1 12 12 LYS HD2 H 1 1.579 0.01 . . 1 . . . 5 K HD2 . 16177 1
37 . 1 1 12 12 LYS HG2 H 1 1.307 0.01 . . 1 . . . 5 K HG2 . 16177 1
38 . 1 1 12 12 LYS CA C 13 56.674 0.3 . . 1 . . . 5 K CA . 16177 1
39 . 1 1 12 12 LYS CB C 13 33.415 0.3 . . 1 . . . 5 K CB . 16177 1
40 . 1 1 12 12 LYS CD C 13 29.567 0.094 . . 2 . . . 5 K CD . 16177 1
41 . 1 1 12 12 LYS CE C 13 42.519 0.3 . . 1 . . . 5 K CE . 16177 1
42 . 1 1 12 12 LYS CG C 13 25.121 0.3 . . 1 . . . 5 K CG . 16177 1
43 . 1 1 12 12 LYS N N 15 122.777 0.086 . . 15 . . . 5 K N . 16177 1
44 . 1 1 13 13 LYS H H 1 8.111 0.007 . . 11 . . . 6 K H . 16177 1
45 . 1 1 13 13 LYS HA H 1 4.212 0.009 . . 7 . . . 6 K HA . 16177 1
46 . 1 1 13 13 LYS HB2 H 1 1.652 0.002 . . 2 . . . 6 K HB2 . 16177 1
47 . 1 1 13 13 LYS HB3 H 1 1.830 0.01 . . 1 . . . 6 K HB3 . 16177 1
48 . 1 1 13 13 LYS HD2 H 1 1.724 0.002 . . 2 . . . 6 K HD2 . 16177 1
49 . 1 1 13 13 LYS HD3 H 1 1.624 0.005 . . 2 . . . 6 K HD3 . 16177 1
50 . 1 1 13 13 LYS HE2 H 1 2.863 0.008 . . 11 . . . 6 K HE2 . 16177 1
51 . 1 1 13 13 LYS HG2 H 1 1.567 0.011 . . 4 . . . 6 K HG2 . 16177 1
52 . 1 1 13 13 LYS HG3 H 1 1.306 0.007 . . 4 . . . 6 K HG3 . 16177 1
53 . 1 1 13 13 LYS CA C 13 56.531 0.050 . . 6 . . . 6 K CA . 16177 1
54 . 1 1 13 13 LYS CB C 13 33.430 0.082 . . 3 . . . 6 K CB . 16177 1
55 . 1 1 13 13 LYS CD C 13 29.357 0.007 . . 2 . . . 6 K CD . 16177 1
56 . 1 1 13 13 LYS CE C 13 42.954 0.420 . . 8 . . . 6 K CE . 16177 1
57 . 1 1 13 13 LYS CG C 13 25.166 0.030 . . 2 . . . 6 K CG . 16177 1
58 . 1 1 13 13 LYS N N 15 122.547 0.083 . . 11 . . . 6 K N . 16177 1
59 . 1 1 14 14 ILE H H 1 7.975 0.004 . . 21 . . . 7 I H . 16177 1
60 . 1 1 14 14 ILE HA H 1 4.043 0.008 . . 17 . . . 7 I HA . 16177 1
61 . 1 1 14 14 ILE HB H 1 1.704 0.005 . . 16 . . . 7 I HB . 16177 1
62 . 1 1 14 14 ILE HD11 H 1 0.224 0.01 . . 1 . . . 7 I HD11 . 16177 1
63 . 1 1 14 14 ILE HD12 H 1 0.727 0.008 . . 16 . . . 7 I HD12 . 16177 1
64 . 1 1 14 14 ILE HD13 H 1 0.727 0.008 . . 16 . . . 7 I HD12 . 16177 1
65 . 1 1 14 14 ILE HG12 H 1 1.386 0.009 . . 5 . . . 7 I HG12 . 16177 1
66 . 1 1 14 14 ILE HG13 H 1 1.122 0.007 . . 8 . . . 7 I HG13 . 16177 1
67 . 1 1 14 14 ILE HG21 H 1 0.933 0.008 . . 9 . . . 7 I HG21 . 16177 1
68 . 1 1 14 14 ILE HG22 H 1 0.933 0.008 . . 9 . . . 7 I HG21 . 16177 1
69 . 1 1 14 14 ILE HG23 H 1 0.933 0.008 . . 9 . . . 7 I HG21 . 16177 1
70 . 1 1 14 14 ILE CA C 13 61.045 0.165 . . 14 . . . 7 I CA . 16177 1
71 . 1 1 14 14 ILE CB C 13 39.221 0.154 . . 13 . . . 7 I CB . 16177 1
72 . 1 1 14 14 ILE CD1 C 13 12.913 0.056 . . 12 . . . 7 I CD1 . 16177 1
73 . 1 1 14 14 ILE CG2 C 13 18.148 0.081 . . 6 . . . 7 I CG2 . 16177 1
74 . 1 1 14 14 ILE N N 15 123.836 0.062 . . 21 . . . 7 I N . 16177 1
75 . 1 1 15 15 ALA H H 1 8.442 0.006 . . 22 . . . 8 A H . 16177 1
76 . 1 1 15 15 ALA HA H 1 4.264 0.007 . . 10 . . . 8 A HA . 16177 1
77 . 1 1 15 15 ALA HB1 H 1 1.367 0.004 . . 2 . . . 8 A HB1 . 16177 1
78 . 1 1 15 15 ALA HB2 H 1 1.299 0.008 . . 13 . . . 8 A HB2 . 16177 1
79 . 1 1 15 15 ALA HB3 H 1 1.299 0.008 . . 13 . . . 8 A HB2 . 16177 1
80 . 1 1 15 15 ALA CA C 13 52.668 0.226 . . 8 . . . 8 A CA . 16177 1
81 . 1 1 15 15 ALA CB C 13 20.027 0.102 . . 12 . . . 8 A CB . 16177 1
82 . 1 1 15 15 ALA N N 15 130.325 0.085 . . 22 . . . 8 A N . 16177 1
83 . 1 1 16 16 LYS H H 1 8.068 0.013 . . 16 . . . 9 K H . 16177 1
84 . 1 1 16 16 LYS HA H 1 4.779 0.022 . . 19 . . . 9 K HA . 16177 1
85 . 1 1 16 16 LYS HB2 H 1 1.235 0.009 . . 5 . . . 9 K HB2 . 16177 1
86 . 1 1 16 16 LYS HB3 H 1 1.560 0.010 . . 10 . . . 9 K HB3 . 16177 1
87 . 1 1 16 16 LYS HD2 H 1 1.458 0.020 . . 9 . . . 9 K HD2 . 16177 1
88 . 1 1 16 16 LYS HE2 H 1 2.778 0.010 . . 7 . . . 9 K HE2 . 16177 1
89 . 1 1 16 16 LYS HG2 H 1 1.295 0.005 . . 10 . . . 9 K HG2 . 16177 1
90 . 1 1 16 16 LYS HG3 H 1 1.059 0.014 . . 9 . . . 9 K HG3 . 16177 1
91 . 1 1 16 16 LYS CA C 13 54.572 0.073 . . 16 . . . 9 K CA . 16177 1
92 . 1 1 16 16 LYS CB C 13 35.552 0.140 . . 12 . . . 9 K CB . 16177 1
93 . 1 1 16 16 LYS CD C 13 29.479 0.154 . . 8 . . . 9 K CD . 16177 1
94 . 1 1 16 16 LYS CE C 13 42.791 0.3 . . 1 . . . 9 K CE . 16177 1
95 . 1 1 16 16 LYS CG C 13 25.021 0.116 . . 10 . . . 9 K CG . 16177 1
96 . 1 1 16 16 LYS N N 15 117.661 0.042 . . 16 . . . 9 K N . 16177 1
97 . 1 1 17 17 LYS H H 1 9.150 0.005 . . 25 . . . 10 K H . 16177 1
98 . 1 1 17 17 LYS HA H 1 4.327 0.014 . . 17 . . . 10 K HA . 16177 1
99 . 1 1 17 17 LYS HB2 H 1 1.173 0.004 . . 16 . . . 10 K HB2 . 16177 1
100 . 1 1 17 17 LYS HB3 H 1 1.289 0.002 . . 4 . . . 10 K HB3 . 16177 1
101 . 1 1 17 17 LYS HD2 H 1 1.279 0.002 . . 4 . . . 10 K HD2 . 16177 1
102 . 1 1 17 17 LYS HD3 H 1 1.165 0.004 . . 6 . . . 10 K HD3 . 16177 1
103 . 1 1 17 17 LYS HE2 H 1 2.587 0.009 . . 9 . . . 10 K HE2 . 16177 1
104 . 1 1 17 17 LYS HE3 H 1 2.467 0.01 . . 1 . . . 10 K HE3 . 16177 1
105 . 1 1 17 17 LYS HG2 H 1 0.595 0.010 . . 8 . . . 10 K HG2 . 16177 1
106 . 1 1 17 17 LYS HG3 H 1 0.842 0.006 . . 5 . . . 10 K HG3 . 16177 1
107 . 1 1 17 17 LYS CA C 13 54.457 0.173 . . 11 . . . 10 K CA . 16177 1
108 . 1 1 17 17 LYS CB C 13 34.941 0.096 . . 17 . . . 10 K CB . 16177 1
109 . 1 1 17 17 LYS CD C 13 28.606 0.092 . . 10 . . . 10 K CD . 16177 1
110 . 1 1 17 17 LYS CE C 13 42.348 0.151 . . 3 . . . 10 K CE . 16177 1
111 . 1 1 17 17 LYS CG C 13 24.337 0.065 . . 4 . . . 10 K CG . 16177 1
112 . 1 1 17 17 LYS N N 15 123.396 0.059 . . 24 . . . 10 K N . 16177 1
113 . 1 1 18 18 LYS H H 1 8.381 0.015 . . 22 . . . 11 K H . 16177 1
114 . 1 1 18 18 LYS HA H 1 4.771 0.015 . . 16 . . . 11 K HA . 16177 1
115 . 1 1 18 18 LYS HB2 H 1 1.535 0.007 . . 9 . . . 11 K HB2 . 16177 1
116 . 1 1 18 18 LYS HB3 H 1 1.454 0.006 . . 9 . . . 11 K HB3 . 16177 1
117 . 1 1 18 18 LYS HD2 H 1 1.238 0.001 . . 2 . . . 11 K HD2 . 16177 1
118 . 1 1 18 18 LYS HD3 H 1 1.261 0.003 . . 8 . . . 11 K HD3 . 16177 1
119 . 1 1 18 18 LYS HE2 H 1 2.764 0.007 . . 8 . . . 11 K HE2 . 16177 1
120 . 1 1 18 18 LYS HG2 H 1 1.091 0.004 . . 8 . . . 11 K HG2 . 16177 1
121 . 1 1 18 18 LYS CA C 13 56.473 0.078 . . 11 . . . 11 K CA . 16177 1
122 . 1 1 18 18 LYS CB C 13 33.807 0.089 . . 13 . . . 11 K CB . 16177 1
123 . 1 1 18 18 LYS CD C 13 29.303 0.227 . . 6 . . . 11 K CD . 16177 1
124 . 1 1 18 18 LYS CE C 13 42.319 0.060 . . 3 . . . 11 K CE . 16177 1
125 . 1 1 18 18 LYS CG C 13 25.675 0.022 . . 6 . . . 11 K CG . 16177 1
126 . 1 1 18 18 LYS N N 15 125.807 0.180 . . 22 . . . 11 K N . 16177 1
127 . 1 1 19 19 THR H H 1 8.716 0.022 . . 24 . . . 12 T H . 16177 1
128 . 1 1 19 19 THR HA H 1 4.491 0.010 . . 12 . . . 12 T HA . 16177 1
129 . 1 1 19 19 THR HB H 1 3.760 0.006 . . 11 . . . 12 T HB . 16177 1
130 . 1 1 19 19 THR HG21 H 1 0.976 0.007 . . 2 . . . 12 T HG . 16177 1
131 . 1 1 19 19 THR HG22 H 1 0.976 0.007 . . 2 . . . 12 T HG . 16177 1
132 . 1 1 19 19 THR HG23 H 1 0.976 0.007 . . 2 . . . 12 T HG . 16177 1
133 . 1 1 19 19 THR CA C 13 61.408 0.135 . . 7 . . . 12 T CA . 16177 1
134 . 1 1 19 19 THR CB C 13 70.848 0.253 . . 7 . . . 12 T CB . 16177 1
135 . 1 1 19 19 THR N N 15 119.245 0.182 . . 24 . . . 12 T N . 16177 1
136 . 1 1 20 20 THR H H 1 8.187 0.009 . . 16 . . . 13 T H . 16177 1
137 . 1 1 20 20 THR HA H 1 4.912 0.012 . . 7 . . . 13 T HA . 16177 1
138 . 1 1 20 20 THR HB H 1 3.784 0.012 . . 13 . . . 13 T HB . 16177 1
139 . 1 1 20 20 THR HG21 H 1 0.937 0.015 . . 9 . . . 13 T HG21 . 16177 1
140 . 1 1 20 20 THR HG22 H 1 0.937 0.015 . . 9 . . . 13 T HG21 . 16177 1
141 . 1 1 20 20 THR HG23 H 1 0.937 0.015 . . 9 . . . 13 T HG21 . 16177 1
142 . 1 1 20 20 THR CA C 13 62.590 0.107 . . 5 . . . 13 T CA . 16177 1
143 . 1 1 20 20 THR CB C 13 70.610 0.146 . . 8 . . . 13 T CB . 16177 1
144 . 1 1 20 20 THR CG2 C 13 22.172 0.089 . . 2 . . . 13 T CG2 . 16177 1
145 . 1 1 20 20 THR N N 15 122.630 0.142 . . 15 . . . 13 T N . 16177 1
146 . 1 1 21 21 LEU H H 1 8.707 0.005 . . 21 . . . 14 L H . 16177 1
147 . 1 1 21 21 LEU HA H 1 4.429 0.007 . . 14 . . . 14 L HA . 16177 1
148 . 1 1 21 21 LEU HB2 H 1 1.230 0.009 . . 11 . . . 14 L HB2 . 16177 1
149 . 1 1 21 21 LEU HB3 H 1 1.284 0.010 . . 8 . . . 14 L HB3 . 16177 1
150 . 1 1 21 21 LEU HD11 H 1 0.731 0.01 . . 1 . . . 14 L HD11 . 16177 1
151 . 1 1 21 21 LEU HD12 H 1 0.731 0.01 . . 1 . . . 14 L HD11 . 16177 1
152 . 1 1 21 21 LEU HD13 H 1 0.731 0.01 . . 1 . . . 14 L HD11 . 16177 1
153 . 1 1 21 21 LEU HD21 H 1 0.667 0.007 . . 23 . . . 14 L HD21 . 16177 1
154 . 1 1 21 21 LEU HD22 H 1 0.667 0.007 . . 23 . . . 14 L HD21 . 16177 1
155 . 1 1 21 21 LEU HD23 H 1 0.667 0.007 . . 23 . . . 14 L HD21 . 16177 1
156 . 1 1 21 21 LEU HG H 1 1.389 0.003 . . 4 . . . 14 L HG . 16177 1
157 . 1 1 21 21 LEU CA C 13 53.835 0.158 . . 9 . . . 14 L CA . 16177 1
158 . 1 1 21 21 LEU CB C 13 45.299 0.186 . . 14 . . . 14 L CB . 16177 1
159 . 1 1 21 21 LEU CD1 C 13 24.946 0.048 . . 16 . . . 14 L CD1 . 16177 1
160 . 1 1 21 21 LEU CG C 13 27.505 0.222 . . 3 . . . 14 L CG . 16177 1
161 . 1 1 21 21 LEU N N 15 126.794 0.085 . . 20 . . . 14 L N . 16177 1
162 . 1 1 22 22 ALA H H 1 7.768 0.020 . . 14 . . . 15 A H . 16177 1
163 . 1 1 22 22 ALA HA H 1 4.834 0.014 . . 11 . . . 15 A HA . 16177 1
164 . 1 1 22 22 ALA HB1 H 1 0.980 0.008 . . 23 . . . 15 A HB1 . 16177 1
165 . 1 1 22 22 ALA HB2 H 1 0.980 0.008 . . 23 . . . 15 A HB1 . 16177 1
166 . 1 1 22 22 ALA HB3 H 1 0.980 0.008 . . 23 . . . 15 A HB1 . 16177 1
167 . 1 1 22 22 ALA CA C 13 50.828 0.051 . . 7 . . . 15 A CA . 16177 1
168 . 1 1 22 22 ALA CB C 13 20.869 0.143 . . 14 . . . 15 A CB . 16177 1
169 . 1 1 22 22 ALA N N 15 122.460 0.081 . . 14 . . . 15 A N . 16177 1
170 . 1 1 23 23 PHE H H 1 8.267 0.008 . . 12 . . . 16 F H . 16177 1
171 . 1 1 23 23 PHE HA H 1 4.835 0.01 . . 2 . . . 16 F HA . 16177 1
172 . 1 1 23 23 PHE HB2 H 1 3.202 0.003 . . 7 . . . 16 F HB2 . 16177 1
173 . 1 1 23 23 PHE HB3 H 1 2.639 0.008 . . 2 . . . 16 F HB3 . 16177 1
174 . 1 1 23 23 PHE CA C 13 55.964 0.054 . . 3 . . . 16 F CA . 16177 1
175 . 1 1 23 23 PHE CB C 13 44.260 0.155 . . 7 . . . 16 F CB . 16177 1
176 . 1 1 23 23 PHE N N 15 120.500 0.054 . . 12 . . . 16 F N . 16177 1
177 . 1 1 24 24 ASP H H 1 9.562 0.017 . . 10 . . . 17 D H . 16177 1
178 . 1 1 24 24 ASP HA H 1 4.568 0.018 . . 9 . . . 17 D HA . 16177 1
179 . 1 1 24 24 ASP HB2 H 1 2.791 0.01 . . 1 . . . 17 D HB2 . 16177 1
180 . 1 1 24 24 ASP HB3 H 1 2.581 0.006 . . 13 . . . 17 D HB3 . 16177 1
181 . 1 1 24 24 ASP CA C 13 56.474 0.057 . . 6 . . . 17 D CA . 16177 1
182 . 1 1 24 24 ASP CB C 13 42.236 0.131 . . 16 . . . 17 D CB . 16177 1
183 . 1 1 24 24 ASP N N 15 124.606 0.096 . . 10 . . . 17 D N . 16177 1
184 . 1 1 25 25 GLU H H 1 8.990 0.023 . . 24 . . . 18 E H . 16177 1
185 . 1 1 25 25 GLU HA H 1 3.742 0.015 . . 10 . . . 18 E HA . 16177 1
186 . 1 1 25 25 GLU HB2 H 1 1.901 0.014 . . 4 . . . 18 E HB2 . 16177 1
187 . 1 1 25 25 GLU HB3 H 1 1.835 0.008 . . 2 . . . 18 E HB3 . 16177 1
188 . 1 1 25 25 GLU HG2 H 1 2.221 0.009 . . 4 . . . 18 E HG2 . 16177 1
189 . 1 1 25 25 GLU HG3 H 1 2.120 0.01 . . 3 . . . 18 E HG3 . 16177 1
190 . 1 1 25 25 GLU CA C 13 60.959 0.204 . . 11 . . . 18 E CA . 16177 1
191 . 1 1 25 25 GLU CB C 13 30.287 0.139 . . 4 . . . 18 E CB . 16177 1
192 . 1 1 25 25 GLU CG C 13 36.589 0.084 . . 4 . . . 18 E CG . 16177 1
193 . 1 1 25 25 GLU N N 15 123.565 0.067 . . 24 . . . 18 E N . 16177 1
194 . 1 1 26 26 ASP H H 1 8.334 0.008 . . 23 . . . 19 D H . 16177 1
195 . 1 1 26 26 ASP HA H 1 4.527 0.011 . . 8 . . . 19 D HA . 16177 1
196 . 1 1 26 26 ASP HB2 H 1 2.694 0.008 . . 6 . . . 19 D HB2 . 16177 1
197 . 1 1 26 26 ASP HB3 H 1 2.372 0.020 . . 2 . . . 19 D HB3 . 16177 1
198 . 1 1 26 26 ASP CA C 13 56.926 0.113 . . 7 . . . 19 D CA . 16177 1
199 . 1 1 26 26 ASP CB C 13 39.231 0.085 . . 6 . . . 19 D CB . 16177 1
200 . 1 1 26 26 ASP N N 15 118.092 0.101 . . 21 . . . 19 D N . 16177 1
201 . 1 1 27 27 VAL H H 1 8.026 0.005 . . 25 . . . 20 V H . 16177 1
202 . 1 1 27 27 VAL HA H 1 3.275 0.004 . . 17 . . . 20 V HA . 16177 1
203 . 1 1 27 27 VAL HB H 1 2.301 0.001 . . 2 . . . 20 V HB . 16177 1
204 . 1 1 27 27 VAL HG11 H 1 0.947 0.006 . . 12 . . . 20 V HG11 . 16177 1
205 . 1 1 27 27 VAL HG12 H 1 0.947 0.006 . . 12 . . . 20 V HG11 . 16177 1
206 . 1 1 27 27 VAL HG13 H 1 0.947 0.006 . . 12 . . . 20 V HG11 . 16177 1
207 . 1 1 27 27 VAL HG21 H 1 0.653 0.006 . . 3 . . . 20 V HG21 . 16177 1
208 . 1 1 27 27 VAL HG22 H 1 0.653 0.006 . . 3 . . . 20 V HG21 . 16177 1
209 . 1 1 27 27 VAL HG23 H 1 0.653 0.006 . . 3 . . . 20 V HG21 . 16177 1
210 . 1 1 27 27 VAL CA C 13 67.607 0.170 . . 13 . . . 20 V CA . 16177 1
211 . 1 1 27 27 VAL CB C 13 32.260 0.073 . . 4 . . . 20 V CB . 16177 1
212 . 1 1 27 27 VAL CG1 C 13 23.800 0.101 . . 5 . . . 20 V CG1 . 16177 1
213 . 1 1 27 27 VAL N N 15 126.938 0.052 . . 22 . . . 20 V N . 16177 1
214 . 1 1 28 28 TYR H H 1 8.367 0.008 . . 24 . . . 21 Y H . 16177 1
215 . 1 1 28 28 TYR HA H 1 3.554 0.008 . . 12 . . . 21 Y HA . 16177 1
216 . 1 1 28 28 TYR HB2 H 1 2.965 0.003 . . 3 . . . 21 Y HB2 . 16177 1
217 . 1 1 28 28 TYR HB3 H 1 2.736 0.004 . . 9 . . . 21 Y HB3 . 16177 1
218 . 1 1 28 28 TYR CA C 13 63.011 0.166 . . 9 . . . 21 Y CA . 16177 1
219 . 1 1 28 28 TYR CB C 13 38.985 0.167 . . 7 . . . 21 Y CB . 16177 1
220 . 1 1 28 28 TYR N N 15 118.599 0.076 . . 22 . . . 21 Y N . 16177 1
221 . 1 1 29 29 HIS H H 1 8.851 0.040 . . 21 . . . 22 H H . 16177 1
222 . 1 1 29 29 HIS HA H 1 4.050 0.011 . . 13 . . . 22 H HA . 16177 1
223 . 1 1 29 29 HIS HB2 H 1 3.369 0.028 . . 2 . . . 22 H HB2 . 16177 1
224 . 1 1 29 29 HIS HB3 H 1 3.189 0.029 . . 7 . . . 22 H HB3 . 16177 1
225 . 1 1 29 29 HIS CA C 13 60.312 0.142 . . 9 . . . 22 H CA . 16177 1
226 . 1 1 29 29 HIS CB C 13 30.311 0.094 . . 4 . . . 22 H CB . 16177 1
227 . 1 1 29 29 HIS N N 15 116.358 0.090 . . 20 . . . 22 H N . 16177 1
228 . 1 1 30 30 THR H H 1 7.870 0.006 . . 21 . . . 23 T H . 16177 1
229 . 1 1 30 30 THR HA H 1 4.125 0.007 . . 7 . . . 23 T HA . 16177 1
230 . 1 1 30 30 THR HB H 1 3.649 0.027 . . 4 . . . 23 T HB . 16177 1
231 . 1 1 30 30 THR CA C 13 68.442 0.121 . . 9 . . . 23 T CA . 16177 1
232 . 1 1 30 30 THR CG2 C 13 22.108 0.3 . . 1 . . . 23 T CG2 . 16177 1
233 . 1 1 30 30 THR N N 15 115.251 0.093 . . 20 . . . 23 T N . 16177 1
234 . 1 1 31 31 LEU H H 1 8.260 0.020 . . 15 . . . 24 L H . 16177 1
235 . 1 1 31 31 LEU HA H 1 3.734 0.009 . . 20 . . . 24 L HA . 16177 1
236 . 1 1 31 31 LEU HB2 H 1 1.384 0.005 . . 6 . . . 24 L HB2 . 16177 1
237 . 1 1 31 31 LEU HB3 H 1 1.410 0.010 . . 7 . . . 24 L HB3 . 16177 1
238 . 1 1 31 31 LEU HD11 H 1 0.768 0.004 . . 6 . . . 24 L HD11 . 16177 1
239 . 1 1 31 31 LEU HD12 H 1 0.768 0.004 . . 6 . . . 24 L HD11 . 16177 1
240 . 1 1 31 31 LEU HD13 H 1 0.768 0.004 . . 6 . . . 24 L HD11 . 16177 1
241 . 1 1 31 31 LEU HD21 H 1 0.474 0.010 . . 9 . . . 24 L HD21 . 16177 1
242 . 1 1 31 31 LEU HD22 H 1 0.474 0.010 . . 9 . . . 24 L HD21 . 16177 1
243 . 1 1 31 31 LEU HD23 H 1 0.474 0.010 . . 9 . . . 24 L HD21 . 16177 1
244 . 1 1 31 31 LEU CA C 13 58.398 0.071 . . 14 . . . 24 L CA . 16177 1
245 . 1 1 31 31 LEU CB C 13 42.398 0.052 . . 11 . . . 24 L CB . 16177 1
246 . 1 1 31 31 LEU CD1 C 13 24.419 0.001 . . 5 . . . 24 L CD1 . 16177 1
247 . 1 1 31 31 LEU CG C 13 24.981 0.3 . . 1 . . . 24 L CG . 16177 1
248 . 1 1 31 31 LEU N N 15 121.640 0.110 . . 14 . . . 24 L N . 16177 1
249 . 1 1 32 32 LYS H H 1 8.224 0.005 . . 27 . . . 25 K H . 16177 1
250 . 1 1 32 32 LYS HA H 1 3.742 0.004 . . 14 . . . 25 K HA . 16177 1
251 . 1 1 32 32 LYS HB2 H 1 1.436 0.009 . . 7 . . . 25 K HB2 . 16177 1
252 . 1 1 32 32 LYS HB3 H 1 1.729 0.008 . . 6 . . . 25 K HB3 . 16177 1
253 . 1 1 32 32 LYS HD2 H 1 1.479 0.014 . . 7 . . . 25 K HD2 . 16177 1
254 . 1 1 32 32 LYS HE2 H 1 2.816 0.008 . . 5 . . . 25 K HE2 . 16177 1
255 . 1 1 32 32 LYS HG2 H 1 1.158 0.008 . . 14 . . . 25 K HG2 . 16177 1
256 . 1 1 32 32 LYS CA C 13 60.037 0.096 . . 9 . . . 25 K CA . 16177 1
257 . 1 1 32 32 LYS CB C 13 31.717 0.090 . . 11 . . . 25 K CB . 16177 1
258 . 1 1 32 32 LYS CD C 13 29.458 0.022 . . 4 . . . 25 K CD . 16177 1
259 . 1 1 32 32 LYS CE C 13 42.444 0.3 . . 1 . . . 25 K CE . 16177 1
260 . 1 1 32 32 LYS CG C 13 25.034 0.088 . . 10 . . . 25 K CG . 16177 1
261 . 1 1 32 32 LYS N N 15 120.687 0.084 . . 25 . . . 25 K N . 16177 1
262 . 1 1 33 33 LEU H H 1 7.607 0.009 . . 31 . . . 26 L H . 16177 1
263 . 1 1 33 33 LEU HA H 1 3.936 0.009 . . 19 . . . 26 L HA . 16177 1
264 . 1 1 33 33 LEU HB2 H 1 1.898 0.012 . . 6 . . . 26 L HB2 . 16177 1
265 . 1 1 33 33 LEU HB3 H 1 1.373 0.011 . . 7 . . . 26 L HB3 . 16177 1
266 . 1 1 33 33 LEU HD11 H 1 0.756 0.005 . . 6 . . . 26 L HD11 . 16177 1
267 . 1 1 33 33 LEU HD12 H 1 0.756 0.005 . . 6 . . . 26 L HD11 . 16177 1
268 . 1 1 33 33 LEU HD13 H 1 0.756 0.005 . . 6 . . . 26 L HD11 . 16177 1
269 . 1 1 33 33 LEU HG H 1 1.598 0.012 . . 11 . . . 26 L HG . 16177 1
270 . 1 1 33 33 LEU CA C 13 58.553 0.137 . . 14 . . . 26 L CA . 16177 1
271 . 1 1 33 33 LEU CB C 13 42.463 0.057 . . 4 . . . 26 L CB . 16177 1
272 . 1 1 33 33 LEU CD1 C 13 23.062 0.040 . . 3 . . . 26 L CD1 . 16177 1
273 . 1 1 33 33 LEU CG C 13 25.773 0.031 . . 6 . . . 26 L CG . 16177 1
274 . 1 1 33 33 LEU N N 15 119.051 0.051 . . 28 . . . 26 L N . 16177 1
275 . 1 1 34 34 VAL H H 1 8.411 0.017 . . 29 . . . 27 V H . 16177 1
276 . 1 1 34 34 VAL HA H 1 3.461 0.009 . . 13 . . . 27 V HA . 16177 1
277 . 1 1 34 34 VAL HB H 1 2.250 0.007 . . 6 . . . 27 V HB . 16177 1
278 . 1 1 34 34 VAL HG11 H 1 1.048 0.005 . . 5 . . . 27 V HG11 . 16177 1
279 . 1 1 34 34 VAL HG12 H 1 1.048 0.005 . . 5 . . . 27 V HG11 . 16177 1
280 . 1 1 34 34 VAL HG13 H 1 1.048 0.005 . . 5 . . . 27 V HG11 . 16177 1
281 . 1 1 34 34 VAL HG21 H 1 1.069 0.004 . . 17 . . . 27 V HG21 . 16177 1
282 . 1 1 34 34 VAL HG22 H 1 1.069 0.004 . . 17 . . . 27 V HG21 . 16177 1
283 . 1 1 34 34 VAL HG23 H 1 1.069 0.004 . . 17 . . . 27 V HG21 . 16177 1
284 . 1 1 34 34 VAL CA C 13 67.719 0.094 . . 9 . . . 27 V CA . 16177 1
285 . 1 1 34 34 VAL CB C 13 32.060 0.054 . . 5 . . . 27 V CB . 16177 1
286 . 1 1 34 34 VAL CG1 C 13 23.109 0.088 . . 3 . . . 27 V CG1 . 16177 1
287 . 1 1 34 34 VAL CG2 C 13 23.071 0.032 . . 9 . . . 27 V CG2 . 16177 1
288 . 1 1 34 34 VAL N N 15 120.057 0.041 . . 27 . . . 27 V N . 16177 1
289 . 1 1 35 35 SER H H 1 8.443 0.005 . . 21 . . . 28 S H . 16177 1
290 . 1 1 35 35 SER HA H 1 3.973 0.008 . . 7 . . . 28 S HA . 16177 1
291 . 1 1 35 35 SER CA C 13 63.069 0.165 . . 4 . . . 28 S CA . 16177 1
292 . 1 1 35 35 SER N N 15 115.928 0.044 . . 20 . . . 28 S N . 16177 1
293 . 1 1 36 36 VAL H H 1 7.521 0.010 . . 17 . . . 29 V H . 16177 1
294 . 1 1 36 36 VAL HA H 1 3.748 0.006 . . 16 . . . 29 V HA . 16177 1
295 . 1 1 36 36 VAL HB H 1 2.048 0.011 . . 15 . . . 29 V HB . 16177 1
296 . 1 1 36 36 VAL HG11 H 1 1.017 0.012 . . 13 . . . 29 V HG11 . 16177 1
297 . 1 1 36 36 VAL HG12 H 1 1.017 0.012 . . 13 . . . 29 V HG11 . 16177 1
298 . 1 1 36 36 VAL HG13 H 1 1.017 0.012 . . 13 . . . 29 V HG11 . 16177 1
299 . 1 1 36 36 VAL HG21 H 1 0.873 0.009 . . 6 . . . 29 V HG21 . 16177 1
300 . 1 1 36 36 VAL HG22 H 1 0.873 0.009 . . 6 . . . 29 V HG21 . 16177 1
301 . 1 1 36 36 VAL HG23 H 1 0.873 0.009 . . 6 . . . 29 V HG21 . 16177 1
302 . 1 1 36 36 VAL CA C 13 66.369 0.111 . . 9 . . . 29 V CA . 16177 1
303 . 1 1 36 36 VAL CB C 13 32.336 0.066 . . 11 . . . 29 V CB . 16177 1
304 . 1 1 36 36 VAL CG1 C 13 22.837 0.054 . . 8 . . . 29 V CG1 . 16177 1
305 . 1 1 36 36 VAL N N 15 120.712 0.028 . . 15 . . . 29 V N . 16177 1
306 . 1 1 37 37 TYR H H 1 7.968 0.006 . . 26 . . . 30 Y H . 16177 1
307 . 1 1 37 37 TYR HA H 1 4.157 0.008 . . 9 . . . 30 Y HA . 16177 1
308 . 1 1 37 37 TYR HB2 H 1 3.149 0.008 . . 13 . . . 30 Y HB2 . 16177 1
309 . 1 1 37 37 TYR HB3 H 1 2.943 0.013 . . 15 . . . 30 Y HB3 . 16177 1
310 . 1 1 37 37 TYR CA C 13 62.036 0.059 . . 6 . . . 30 Y CA . 16177 1
311 . 1 1 37 37 TYR CB C 13 38.921 0.100 . . 16 . . . 30 Y CB . 16177 1
312 . 1 1 37 37 TYR N N 15 121.113 0.069 . . 23 . . . 30 Y N . 16177 1
313 . 1 1 38 38 LEU H H 1 8.417 0.006 . . 28 . . . 31 L H . 16177 1
314 . 1 1 38 38 LEU HA H 1 4.051 0.004 . . 18 . . . 31 L HA . 16177 1
315 . 1 1 38 38 LEU HB2 H 1 1.610 0.008 . . 8 . . . 31 L HB2 . 16177 1
316 . 1 1 38 38 LEU HB3 H 1 1.504 0.009 . . 5 . . . 31 L HB3 . 16177 1
317 . 1 1 38 38 LEU HD11 H 1 0.989 0.003 . . 8 . . . 31 L HD11 . 16177 1
318 . 1 1 38 38 LEU HD12 H 1 0.989 0.003 . . 8 . . . 31 L HD11 . 16177 1
319 . 1 1 38 38 LEU HD13 H 1 0.989 0.003 . . 8 . . . 31 L HD11 . 16177 1
320 . 1 1 38 38 LEU HD21 H 1 0.908 0.004 . . 10 . . . 31 L HD21 . 16177 1
321 . 1 1 38 38 LEU HD22 H 1 0.908 0.004 . . 10 . . . 31 L HD21 . 16177 1
322 . 1 1 38 38 LEU HD23 H 1 0.908 0.004 . . 10 . . . 31 L HD21 . 16177 1
323 . 1 1 38 38 LEU HG H 1 1.961 0.008 . . 10 . . . 31 L HG . 16177 1
324 . 1 1 38 38 LEU CA C 13 55.028 0.125 . . 11 . . . 31 L CA . 16177 1
325 . 1 1 38 38 LEU CB C 13 42.674 0.105 . . 8 . . . 31 L CB . 16177 1
326 . 1 1 38 38 LEU CD1 C 13 22.484 0.042 . . 8 . . . 31 L CD1 . 16177 1
327 . 1 1 38 38 LEU CG C 13 27.174 0.133 . . 5 . . . 31 L CG . 16177 1
328 . 1 1 38 38 LEU N N 15 114.228 0.040 . . 24 . . . 31 L N . 16177 1
329 . 1 1 39 39 ASN H H 1 7.822 0.005 . . 29 . . . 32 N H . 16177 1
330 . 1 1 39 39 ASN HA H 1 4.220 0.007 . . 14 . . . 32 N HA . 16177 1
331 . 1 1 39 39 ASN HB2 H 1 3.112 0.007 . . 7 . . . 32 N HB2 . 16177 1
332 . 1 1 39 39 ASN HB3 H 1 2.519 0.007 . . 8 . . . 32 N HB3 . 16177 1
333 . 1 1 39 39 ASN CA C 13 54.292 0.087 . . 10 . . . 32 N CA . 16177 1
334 . 1 1 39 39 ASN CB C 13 37.677 0.080 . . 8 . . . 32 N CB . 16177 1
335 . 1 1 39 39 ASN N N 15 117.898 0.081 . . 27 . . . 32 N N . 16177 1
336 . 1 1 40 40 ARG H H 1 7.944 0.004 . . 22 . . . 33 R H . 16177 1
337 . 1 1 40 40 ARG HA H 1 4.525 0.006 . . 18 . . . 33 R HA . 16177 1
338 . 1 1 40 40 ARG HB2 H 1 1.669 0.005 . . 11 . . . 33 R HB2 . 16177 1
339 . 1 1 40 40 ARG HB3 H 1 1.179 0.004 . . 11 . . . 33 R HB3 . 16177 1
340 . 1 1 40 40 ARG HD2 H 1 3.256 0.005 . . 13 . . . 33 R HD2 . 16177 1
341 . 1 1 40 40 ARG HD3 H 1 2.769 0.010 . . 12 . . . 33 R HD3 . 16177 1
342 . 1 1 40 40 ARG HG2 H 1 1.498 0.003 . . 15 . . . 33 R HG2 . 16177 1
343 . 1 1 40 40 ARG HG3 H 1 1.660 0.006 . . 13 . . . 33 R HG3 . 16177 1
344 . 1 1 40 40 ARG CA C 13 54.725 0.078 . . 12 . . . 33 R CA . 16177 1
345 . 1 1 40 40 ARG CB C 13 35.662 0.084 . . 10 . . . 33 R CB . 16177 1
346 . 1 1 40 40 ARG CD C 13 44.183 0.021 . . 12 . . . 33 R CD . 16177 1
347 . 1 1 40 40 ARG CG C 13 27.074 0.164 . . 15 . . . 33 R CG . 16177 1
348 . 1 1 40 40 ARG N N 15 116.306 0.049 . . 21 . . . 33 R N . 16177 1
349 . 1 1 41 41 ASP H H 1 8.481 0.013 . . 23 . . . 34 D H . 16177 1
350 . 1 1 41 41 ASP HA H 1 4.311 0.004 . . 9 . . . 34 D HA . 16177 1
351 . 1 1 41 41 ASP HB2 H 1 2.493 0.007 . . 8 . . . 34 D HB2 . 16177 1
352 . 1 1 41 41 ASP HB3 H 1 2.572 0.008 . . 10 . . . 34 D HB3 . 16177 1
353 . 1 1 41 41 ASP CA C 13 54.939 0.072 . . 6 . . . 34 D CA . 16177 1
354 . 1 1 41 41 ASP CB C 13 43.261 0.075 . . 13 . . . 34 D CB . 16177 1
355 . 1 1 41 41 ASP N N 15 122.875 0.075 . . 23 . . . 34 D N . 16177 1
356 . 1 1 42 42 MET H H 1 8.745 0.004 . . 19 . . . 35 M H . 16177 1
357 . 1 1 42 42 MET HA H 1 3.591 0.010 . . 20 . . . 35 M HA . 16177 1
358 . 1 1 42 42 MET HB2 H 1 1.937 0.007 . . 13 . . . 35 M HB2 . 16177 1
359 . 1 1 42 42 MET HG2 H 1 2.189 0.005 . . 16 . . . 35 M HG2 . 16177 1
360 . 1 1 42 42 MET CA C 13 60.618 0.089 . . 15 . . . 35 M CA . 16177 1
361 . 1 1 42 42 MET CB C 13 34.191 0.102 . . 9 . . . 35 M CB . 16177 1
362 . 1 1 42 42 MET CG C 13 32.443 0.039 . . 10 . . . 35 M CG . 16177 1
363 . 1 1 42 42 MET N N 15 125.065 0.058 . . 19 . . . 35 M N . 16177 1
364 . 1 1 43 43 THR H H 1 8.314 0.003 . . 14 . . . 36 T H . 16177 1
365 . 1 1 43 43 THR HA H 1 3.590 0.012 . . 10 . . . 36 T HA . 16177 1
366 . 1 1 43 43 THR HB H 1 4.141 0.008 . . 4 . . . 36 T HB . 16177 1
367 . 1 1 43 43 THR HG21 H 1 1.141 0.014 . . 2 . . . 36 T HG21 . 16177 1
368 . 1 1 43 43 THR HG22 H 1 1.156 0.006 . . 15 . . . 36 T HG22 . 16177 1
369 . 1 1 43 43 THR HG23 H 1 1.156 0.006 . . 15 . . . 36 T HG22 . 16177 1
370 . 1 1 43 43 THR CA C 13 67.160 0.178 . . 8 . . . 36 T CA . 16177 1
371 . 1 1 43 43 THR CB C 13 68.463 0.112 . . 3 . . . 36 T CB . 16177 1
372 . 1 1 43 43 THR CG2 C 13 23.005 0.045 . . 13 . . . 36 T CG2 . 16177 1
373 . 1 1 43 43 THR N N 15 112.506 0.126 . . 14 . . . 36 T N . 16177 1
374 . 1 1 44 44 GLU H H 1 7.312 0.039 . . 22 . . . 37 E H . 16177 1
375 . 1 1 44 44 GLU HA H 1 4.089 0.007 . . 3 . . . 37 E HA . 16177 1
376 . 1 1 44 44 GLU HB2 H 1 2.123 0.005 . . 6 . . . 37 E HB2 . 16177 1
377 . 1 1 44 44 GLU HB3 H 1 2.255 0.01 . . 1 . . . 37 E HB3 . 16177 1
378 . 1 1 44 44 GLU HG2 H 1 2.260 0.01 . . 1 . . . 37 E HG2 . 16177 1
379 . 1 1 44 44 GLU HG3 H 1 2.300 0.004 . . 5 . . . 37 E HG3 . 16177 1
380 . 1 1 44 44 GLU CA C 13 59.658 0.067 . . 4 . . . 37 E CA . 16177 1
381 . 1 1 44 44 GLU CB C 13 30.167 0.213 . . 4 . . . 37 E CB . 16177 1
382 . 1 1 44 44 GLU CG C 13 37.355 0.015 . . 3 . . . 37 E CG . 16177 1
383 . 1 1 44 44 GLU N N 15 121.383 0.088 . . 21 . . . 37 E N . 16177 1
384 . 1 1 45 45 ILE H H 1 7.207 0.017 . . 25 . . . 38 I H . 16177 1
385 . 1 1 45 45 ILE HA H 1 2.982 0.009 . . 12 . . . 38 I HA . 16177 1
386 . 1 1 45 45 ILE HB H 1 1.302 0.008 . . 12 . . . 38 I HB . 16177 1
387 . 1 1 45 45 ILE HD11 H 1 0.428 0.001 . . 3 . . . 38 I HD11 . 16177 1
388 . 1 1 45 45 ILE HD12 H 1 0.428 0.001 . . 3 . . . 38 I HD11 . 16177 1
389 . 1 1 45 45 ILE HD13 H 1 0.428 0.001 . . 3 . . . 38 I HD11 . 16177 1
390 . 1 1 45 45 ILE HG12 H 1 1.275 0.004 . . 3 . . . 38 I HG12 . 16177 1
391 . 1 1 45 45 ILE HG21 H 1 0.443 0.005 . . 21 . . . 38 I HG21 . 16177 1
392 . 1 1 45 45 ILE HG22 H 1 0.443 0.005 . . 21 . . . 38 I HG21 . 16177 1
393 . 1 1 45 45 ILE HG23 H 1 0.443 0.005 . . 21 . . . 38 I HG21 . 16177 1
394 . 1 1 45 45 ILE CA C 13 65.725 0.140 . . 8 . . . 38 I CA . 16177 1
395 . 1 1 45 45 ILE CB C 13 37.747 0.062 . . 6 . . . 38 I CB . 16177 1
396 . 1 1 45 45 ILE CG2 C 13 14.264 0.067 . . 14 . . . 38 I CG2 . 16177 1
397 . 1 1 45 45 ILE N N 15 118.923 0.084 . . 21 . . . 38 I N . 16177 1
398 . 1 1 46 46 ILE H H 1 7.756 0.012 . . 23 . . . 39 I H . 16177 1
399 . 1 1 46 46 ILE HA H 1 3.089 0.009 . . 11 . . . 39 I HA . 16177 1
400 . 1 1 46 46 ILE HB H 1 1.655 0.010 . . 13 . . . 39 I HB . 16177 1
401 . 1 1 46 46 ILE HD11 H 1 0.599 0.006 . . 3 . . . 39 I HD11 . 16177 1
402 . 1 1 46 46 ILE HD12 H 1 0.504 0.015 . . 5 . . . 39 I HD12 . 16177 1
403 . 1 1 46 46 ILE HD13 H 1 0.504 0.015 . . 5 . . . 39 I HD12 . 16177 1
404 . 1 1 46 46 ILE HG13 H 1 0.721 0.005 . . 5 . . . 39 I HG13 . 16177 1
405 . 1 1 46 46 ILE HG21 H 1 0.674 0.067 . . 9 . . . 39 I HG21 . 16177 1
406 . 1 1 46 46 ILE HG22 H 1 0.674 0.067 . . 9 . . . 39 I HG21 . 16177 1
407 . 1 1 46 46 ILE HG23 H 1 0.674 0.067 . . 9 . . . 39 I HG21 . 16177 1
408 . 1 1 46 46 ILE CA C 13 66.580 0.068 . . 7 . . . 39 I CA . 16177 1
409 . 1 1 46 46 ILE CB C 13 37.923 0.084 . . 10 . . . 39 I CB . 16177 1
410 . 1 1 46 46 ILE CG2 C 13 18.243 0.225 . . 3 . . . 39 I CG2 . 16177 1
411 . 1 1 46 46 ILE N N 15 117.749 0.060 . . 22 . . . 39 I N . 16177 1
412 . 1 1 47 47 GLU H H 1 8.164 0.009 . . 7 . . . 40 E H . 16177 1
413 . 1 1 47 47 GLU HA H 1 3.628 0.015 . . 9 . . . 40 E HA . 16177 1
414 . 1 1 47 47 GLU HB2 H 1 2.097 0.01 . . 1 . . . 40 E HB2 . 16177 1
415 . 1 1 47 47 GLU HB3 H 1 1.964 0.013 . . 6 . . . 40 E HB3 . 16177 1
416 . 1 1 47 47 GLU HG2 H 1 2.281 0.01 . . 1 . . . 40 E HG2 . 16177 1
417 . 1 1 47 47 GLU HG3 H 1 2.240 0.013 . . 9 . . . 40 E HG3 . 16177 1
418 . 1 1 47 47 GLU CA C 13 61.668 0.107 . . 7 . . . 40 E CA . 16177 1
419 . 1 1 47 47 GLU CB C 13 29.922 0.096 . . 2 . . . 40 E CB . 16177 1
420 . 1 1 47 47 GLU CG C 13 38.746 0.259 . . 6 . . . 40 E CG . 16177 1
421 . 1 1 47 47 GLU N N 15 117.948 0.137 . . 6 . . . 40 E N . 16177 1
422 . 1 1 48 48 GLU H H 1 7.952 0.017 . . 14 . . . 41 E H . 16177 1
423 . 1 1 48 48 GLU HA H 1 3.538 0.006 . . 8 . . . 41 E HA . 16177 1
424 . 1 1 48 48 GLU HB2 H 1 2.146 0.005 . . 3 . . . 41 E HB2 . 16177 1
425 . 1 1 48 48 GLU HG2 H 1 2.368 0.010 . . 3 . . . 41 E HG2 . 16177 1
426 . 1 1 48 48 GLU HG3 H 1 2.433 0.01 . . 1 . . . 41 E HG3 . 16177 1
427 . 1 1 48 48 GLU CA C 13 61.253 0.172 . . 8 . . . 41 E CA . 16177 1
428 . 1 1 48 48 GLU CB C 13 30.458 0.094 . . 3 . . . 41 E CB . 16177 1
429 . 1 1 48 48 GLU CG C 13 38.972 0.081 . . 2 . . . 41 E CG . 16177 1
430 . 1 1 48 48 GLU N N 15 119.281 0.063 . . 14 . . . 41 E N . 16177 1
431 . 1 1 49 49 ALA H H 1 8.458 0.023 . . 18 . . . 42 A H . 16177 1
432 . 1 1 49 49 ALA HA H 1 4.038 0.009 . . 12 . . . 42 A HA . 16177 1
433 . 1 1 49 49 ALA HB1 H 1 1.246 0.008 . . 17 . . . 42 A HB1 . 16177 1
434 . 1 1 49 49 ALA HB2 H 1 1.246 0.008 . . 17 . . . 42 A HB1 . 16177 1
435 . 1 1 49 49 ALA HB3 H 1 1.246 0.008 . . 17 . . . 42 A HB1 . 16177 1
436 . 1 1 49 49 ALA CA C 13 55.889 0.050 . . 8 . . . 42 A CA . 16177 1
437 . 1 1 49 49 ALA CB C 13 17.733 0.047 . . 13 . . . 42 A CB . 16177 1
438 . 1 1 49 49 ALA N N 15 120.358 0.053 . . 18 . . . 42 A N . 16177 1
439 . 1 1 50 50 VAL H H 1 8.474 0.007 . . 15 . . . 43 V H . 16177 1
440 . 1 1 50 50 VAL HA H 1 3.449 0.011 . . 17 . . . 43 V HA . 16177 1
441 . 1 1 50 50 VAL HB H 1 2.168 0.023 . . 10 . . . 43 V HB . 16177 1
442 . 1 1 50 50 VAL HG11 H 1 0.906 0.010 . . 5 . . . 43 V HG11 . 16177 1
443 . 1 1 50 50 VAL HG12 H 1 0.906 0.010 . . 5 . . . 43 V HG11 . 16177 1
444 . 1 1 50 50 VAL HG13 H 1 0.906 0.010 . . 5 . . . 43 V HG11 . 16177 1
445 . 1 1 50 50 VAL HG21 H 1 0.671 0.003 . . 15 . . . 43 V HG21 . 16177 1
446 . 1 1 50 50 VAL HG22 H 1 0.671 0.003 . . 15 . . . 43 V HG21 . 16177 1
447 . 1 1 50 50 VAL HG23 H 1 0.671 0.003 . . 15 . . . 43 V HG21 . 16177 1
448 . 1 1 50 50 VAL CA C 13 67.362 0.103 . . 11 . . . 43 V CA . 16177 1
449 . 1 1 50 50 VAL CB C 13 31.916 0.055 . . 7 . . . 43 V CB . 16177 1
450 . 1 1 50 50 VAL CG1 C 13 22.717 0.015 . . 2 . . . 43 V CG1 . 16177 1
451 . 1 1 50 50 VAL CG2 C 13 22.727 0.122 . . 10 . . . 43 V CG2 . 16177 1
452 . 1 1 50 50 VAL N N 15 119.540 0.049 . . 15 . . . 43 V N . 16177 1
453 . 1 1 51 51 VAL H H 1 8.361 0.015 . . 21 . . . 44 V H . 16177 1
454 . 1 1 51 51 VAL HA H 1 3.402 0.012 . . 12 . . . 44 V HA . 16177 1
455 . 1 1 51 51 VAL HB H 1 1.833 0.005 . . 10 . . . 44 V HB . 16177 1
456 . 1 1 51 51 VAL HG11 H 1 0.742 0.002 . . 4 . . . 44 V HG11 . 16177 1
457 . 1 1 51 51 VAL HG12 H 1 0.742 0.002 . . 4 . . . 44 V HG11 . 16177 1
458 . 1 1 51 51 VAL HG13 H 1 0.742 0.002 . . 4 . . . 44 V HG11 . 16177 1
459 . 1 1 51 51 VAL HG21 H 1 0.155 0.002 . . 3 . . . 44 V HG21 . 16177 1
460 . 1 1 51 51 VAL HG22 H 1 0.155 0.002 . . 3 . . . 44 V HG21 . 16177 1
461 . 1 1 51 51 VAL HG23 H 1 0.155 0.002 . . 3 . . . 44 V HG21 . 16177 1
462 . 1 1 51 51 VAL CA C 13 68.759 0.080 . . 11 . . . 44 V CA . 16177 1
463 . 1 1 51 51 VAL CB C 13 31.462 0.121 . . 9 . . . 44 V CB . 16177 1
464 . 1 1 51 51 VAL N N 15 121.473 0.044 . . 20 . . . 44 V N . 16177 1
465 . 1 1 52 52 MET H H 1 8.681 0.022 . . 22 . . . 45 M H . 16177 1
466 . 1 1 52 52 MET HA H 1 4.063 0.006 . . 14 . . . 45 M HA . 16177 1
467 . 1 1 52 52 MET HB2 H 1 2.273 0.006 . . 11 . . . 45 M HB2 . 16177 1
468 . 1 1 52 52 MET HB3 H 1 2.265 0.009 . . 6 . . . 45 M HB3 . 16177 1
469 . 1 1 52 52 MET HG2 H 1 2.821 0.009 . . 13 . . . 45 M HG2 . 16177 1
470 . 1 1 52 52 MET HG3 H 1 2.549 0.008 . . 13 . . . 45 M HG3 . 16177 1
471 . 1 1 52 52 MET CA C 13 59.733 0.089 . . 10 . . . 45 M CA . 16177 1
472 . 1 1 52 52 MET CB C 13 33.079 0.123 . . 9 . . . 45 M CB . 16177 1
473 . 1 1 52 52 MET CG C 13 33.166 0.036 . . 12 . . . 45 M CG . 16177 1
474 . 1 1 52 52 MET N N 15 117.866 0.124 . . 21 . . . 45 M N . 16177 1
475 . 1 1 53 53 TRP H H 1 8.302 0.004 . . 22 . . . 46 W H . 16177 1
476 . 1 1 53 53 TRP HA H 1 3.929 0.009 . . 8 . . . 46 W HA . 16177 1
477 . 1 1 53 53 TRP HB2 H 1 3.652 0.016 . . 8 . . . 46 W HB2 . 16177 1
478 . 1 1 53 53 TRP HB3 H 1 3.213 0.012 . . 5 . . . 46 W HB3 . 16177 1
479 . 1 1 53 53 TRP CA C 13 63.129 0.113 . . 5 . . . 46 W CA . 16177 1
480 . 1 1 53 53 TRP CB C 13 30.767 0.038 . . 6 . . . 46 W CB . 16177 1
481 . 1 1 53 53 TRP N N 15 121.939 0.043 . . 21 . . . 46 W N . 16177 1
482 . 1 1 54 54 LEU H H 1 8.779 0.015 . . 22 . . . 47 L H . 16177 1
483 . 1 1 54 54 LEU HA H 1 3.767 0.009 . . 18 . . . 47 L HA . 16177 1
484 . 1 1 54 54 LEU HB2 H 1 2.331 0.010 . . 12 . . . 47 L HB2 . 16177 1
485 . 1 1 54 54 LEU HB3 H 1 1.234 0.005 . . 7 . . . 47 L HB3 . 16177 1
486 . 1 1 54 54 LEU HD11 H 1 0.753 0.011 . . 9 . . . 47 L HD11 . 16177 1
487 . 1 1 54 54 LEU HD12 H 1 0.753 0.011 . . 9 . . . 47 L HD11 . 16177 1
488 . 1 1 54 54 LEU HD13 H 1 0.753 0.011 . . 9 . . . 47 L HD11 . 16177 1
489 . 1 1 54 54 LEU HD21 H 1 0.930 0.008 . . 8 . . . 47 L HD21 . 16177 1
490 . 1 1 54 54 LEU HD22 H 1 0.930 0.008 . . 8 . . . 47 L HD21 . 16177 1
491 . 1 1 54 54 LEU HD23 H 1 0.930 0.008 . . 8 . . . 47 L HD21 . 16177 1
492 . 1 1 54 54 LEU HG H 1 2.290 0.008 . . 5 . . . 47 L HG . 16177 1
493 . 1 1 54 54 LEU CA C 13 59.240 0.105 . . 13 . . . 47 L CA . 16177 1
494 . 1 1 54 54 LEU CB C 13 42.369 0.053 . . 12 . . . 47 L CB . 16177 1
495 . 1 1 54 54 LEU CD1 C 13 24.008 0.091 . . 6 . . . 47 L CD1 . 16177 1
496 . 1 1 54 54 LEU CG C 13 26.524 0.3 . . 1 . . . 47 L CG . 16177 1
497 . 1 1 54 54 LEU N N 15 121.457 0.032 . . 20 . . . 47 L N . 16177 1
498 . 1 1 55 55 ILE H H 1 8.124 0.008 . . 20 . . . 48 I H . 16177 1
499 . 1 1 55 55 ILE HA H 1 3.353 0.011 . . 14 . . . 48 I HA . 16177 1
500 . 1 1 55 55 ILE HB H 1 1.827 0.008 . . 10 . . . 48 I HB . 16177 1
501 . 1 1 55 55 ILE HD11 H 1 0.771 0.007 . . 6 . . . 48 I HD11 . 16177 1
502 . 1 1 55 55 ILE HD12 H 1 0.854 0.003 . . 13 . . . 48 I HD12 . 16177 1
503 . 1 1 55 55 ILE HD13 H 1 0.854 0.003 . . 13 . . . 48 I HD12 . 16177 1
504 . 1 1 55 55 ILE HG12 H 1 0.936 0.002 . . 17 . . . 48 I HG11 . 16177 1
505 . 1 1 55 55 ILE HG13 H 1 0.829 0.008 . . 4 . . . 48 I HG12 . 16177 1
506 . 1 1 55 55 ILE CA C 13 66.242 0.154 . . 12 . . . 48 I CA . 16177 1
507 . 1 1 55 55 ILE CB C 13 39.123 0.053 . . 7 . . . 48 I CB . 16177 1
508 . 1 1 55 55 ILE CD1 C 13 15.675 0.173 . . 15 . . . 48 I CD1 . 16177 1
509 . 1 1 55 55 ILE CG2 C 13 18.016 0.099 . . 14 . . . 48 I CG2 . 16177 1
510 . 1 1 55 55 ILE N N 15 117.076 0.099 . . 19 . . . 48 I N . 16177 1
511 . 1 1 56 56 GLN H H 1 8.152 0.013 . . 15 . . . 49 Q H . 16177 1
512 . 1 1 56 56 GLN HA H 1 3.876 0.010 . . 17 . . . 49 Q HA . 16177 1
513 . 1 1 56 56 GLN HB2 H 1 1.843 0.012 . . 11 . . . 49 Q HB2 . 16177 1
514 . 1 1 56 56 GLN HG2 H 1 2.315 0.004 . . 7 . . . 49 Q HG2 . 16177 1
515 . 1 1 56 56 GLN HG3 H 1 2.199 0.004 . . 7 . . . 49 Q HG3 . 16177 1
516 . 1 1 56 56 GLN CA C 13 58.623 0.111 . . 12 . . . 49 Q CA . 16177 1
517 . 1 1 56 56 GLN CB C 13 28.723 0.067 . . 7 . . . 49 Q CB . 16177 1
518 . 1 1 56 56 GLN CG C 13 34.570 0.049 . . 10 . . . 49 Q CG . 16177 1
519 . 1 1 56 56 GLN N N 15 118.099 0.079 . . 14 . . . 49 Q N . 16177 1
520 . 1 1 57 57 ASN H H 1 7.377 0.007 . . 22 . . . 50 N H . 16177 1
521 . 1 1 57 57 ASN HA H 1 4.381 0.008 . . 10 . . . 50 N HA . 16177 1
522 . 1 1 57 57 ASN HB2 H 1 2.048 0.008 . . 11 . . . 50 N HB2 . 16177 1
523 . 1 1 57 57 ASN CA C 13 54.239 0.077 . . 8 . . . 50 N CA . 16177 1
524 . 1 1 57 57 ASN CB C 13 39.477 0.169 . . 11 . . . 50 N CB . 16177 1
525 . 1 1 57 57 ASN N N 15 114.992 0.041 . . 21 . . . 50 N N . 16177 1
526 . 1 1 58 58 LYS H H 1 7.125 0.005 . . 28 . . . 51 K H . 16177 1
527 . 1 1 58 58 LYS HA H 1 3.543 0.007 . . 11 . . . 51 K HA . 16177 1
528 . 1 1 58 58 LYS HB2 H 1 1.771 0.008 . . 9 . . . 51 K HB2 . 16177 1
529 . 1 1 58 58 LYS HB3 H 1 1.993 0.009 . . 7 . . . 51 K HB3 . 16177 1
530 . 1 1 58 58 LYS HD2 H 1 1.669 0.004 . . 6 . . . 51 K HD2 . 16177 1
531 . 1 1 58 58 LYS HE2 H 1 2.806 0.009 . . 8 . . . 51 K HE2 . 16177 1
532 . 1 1 58 58 LYS HG2 H 1 1.693 0.01 . . 1 . . . 51 K HG2 . 16177 1
533 . 1 1 58 58 LYS HG3 H 1 1.260 0.007 . . 3 . . . 51 K HG3 . 16177 1
534 . 1 1 58 58 LYS CA C 13 61.414 0.147 . . 7 . . . 51 K CA . 16177 1
535 . 1 1 58 58 LYS CB C 13 33.948 0.075 . . 11 . . . 51 K CB . 16177 1
536 . 1 1 58 58 LYS CD C 13 29.930 0.131 . . 7 . . . 51 K CD . 16177 1
537 . 1 1 58 58 LYS CE C 13 42.039 0.061 . . 6 . . . 51 K CE . 16177 1
538 . 1 1 58 58 LYS CG C 13 25.736 0.3 . . 1 . . . 51 K CG . 16177 1
539 . 1 1 58 58 LYS N N 15 121.572 0.055 . . 24 . . . 51 K N . 16177 1
540 . 1 1 59 59 GLU H H 1 8.283 0.005 . . 34 . . . 52 E H . 16177 1
541 . 1 1 59 59 GLU HA H 1 4.051 0.013 . . 11 . . . 52 E HA . 16177 1
542 . 1 1 59 59 GLU HB2 H 1 2.040 0.011 . . 5 . . . 52 E HB2 . 16177 1
543 . 1 1 59 59 GLU HB3 H 1 1.716 0.203 . . 8 . . . 52 E HB3 . 16177 1
544 . 1 1 59 59 GLU HG2 H 1 2.192 0.005 . . 3 . . . 52 E HG2 . 16177 1
545 . 1 1 59 59 GLU CA C 13 58.361 0.066 . . 7 . . . 52 E CA . 16177 1
546 . 1 1 59 59 GLU CB C 13 29.149 0.081 . . 10 . . . 52 E CB . 16177 1
547 . 1 1 59 59 GLU CG C 13 36.757 0.104 . . 2 . . . 52 E CG . 16177 1
548 . 1 1 59 59 GLU N N 15 112.893 0.152 . . 30 . . . 52 E N . 16177 1
549 . 1 1 60 60 LYS H H 1 7.716 0.005 . . 23 . . . 53 K H . 16177 1
550 . 1 1 60 60 LYS HA H 1 4.313 0.008 . . 10 . . . 53 K HA . 16177 1
551 . 1 1 60 60 LYS HB2 H 1 1.959 0.011 . . 9 . . . 53 K HB2 . 16177 1
552 . 1 1 60 60 LYS HB3 H 1 1.719 0.003 . . 5 . . . 53 K HB3 . 16177 1
553 . 1 1 60 60 LYS HD2 H 1 1.584 0.008 . . 6 . . . 53 K HD2 . 16177 1
554 . 1 1 60 60 LYS HE2 H 1 3.213 0.461 . . 3 . . . 53 K HE2 . 16177 1
555 . 1 1 60 60 LYS HG2 H 1 1.313 0.006 . . 15 . . . 53 K HG2 . 16177 1
556 . 1 1 60 60 LYS CA C 13 56.329 0.080 . . 8 . . . 53 K CA . 16177 1
557 . 1 1 60 60 LYS CB C 13 33.508 0.086 . . 9 . . . 53 K CB . 16177 1
558 . 1 1 60 60 LYS CD C 13 29.755 0.3 . . 1 . . . 53 K CD . 16177 1
559 . 1 1 60 60 LYS CE C 13 42.619 0.3 . . 1 . . . 53 K CE . 16177 1
560 . 1 1 60 60 LYS CG C 13 25.441 0.130 . . 10 . . . 53 K CG . 16177 1
561 . 1 1 60 60 LYS N N 15 117.009 0.054 . . 21 . . . 53 K N . 16177 1
562 . 1 1 61 61 LEU H H 1 7.149 0.004 . . 33 . . . 54 L H . 16177 1
563 . 1 1 61 61 LEU HA H 1 4.396 0.005 . . 16 . . . 54 L HA . 16177 1
564 . 1 1 61 61 LEU HB2 H 1 1.849 0.006 . . 4 . . . 54 L HB2 . 16177 1
565 . 1 1 61 61 LEU HB3 H 1 1.626 0.006 . . 15 . . . 54 L HB3 . 16177 1
566 . 1 1 61 61 LEU HD11 H 1 0.812 0.006 . . 3 . . . 54 L HD11 . 16177 1
567 . 1 1 61 61 LEU HD12 H 1 0.781 0.003 . . 3 . . . 54 L HD12 . 16177 1
568 . 1 1 61 61 LEU HD13 H 1 0.781 0.003 . . 3 . . . 54 L HD12 . 16177 1
569 . 1 1 61 61 LEU HD21 H 1 0.693 0.007 . . 5 . . . 54 L HD21 . 16177 1
570 . 1 1 61 61 LEU HD22 H 1 0.693 0.007 . . 5 . . . 54 L HD21 . 16177 1
571 . 1 1 61 61 LEU HD23 H 1 0.693 0.007 . . 5 . . . 54 L HD21 . 16177 1
572 . 1 1 61 61 LEU HG H 1 1.104 0.015 . . 8 . . . 54 L HG . 16177 1
573 . 1 1 61 61 LEU CA C 13 52.830 0.071 . . 15 . . . 54 L CA . 16177 1
574 . 1 1 61 61 LEU CB C 13 41.113 0.086 . . 10 . . . 54 L CB . 16177 1
575 . 1 1 61 61 LEU N N 15 119.051 0.044 . . 31 . . . 54 L N . 16177 1
576 . 1 1 62 62 PRO HA H 1 4.158 0.004 . . 18 . . . 55 P HA . 16177 1
577 . 1 1 62 62 PRO HB2 H 1 2.125 0.008 . . 13 . . . 55 P HB2 . 16177 1
578 . 1 1 62 62 PRO HB3 H 1 1.602 0.004 . . 9 . . . 55 P HB3 . 16177 1
579 . 1 1 62 62 PRO HG2 H 1 1.350 0.011 . . 5 . . . 55 P HG2 . 16177 1
580 . 1 1 62 62 PRO HG3 H 1 1.139 0.001 . . 2 . . . 55 P HG3 . 16177 1
581 . 1 1 62 62 PRO CA C 13 63.124 0.102 . . 15 . . . 55 P CA . 16177 1
582 . 1 1 62 62 PRO CB C 13 32.547 0.082 . . 12 . . . 55 P CB . 16177 1
583 . 1 1 63 63 ASN H H 1 8.753 0.005 . . 17 . . . 56 N H . 16177 1
584 . 1 1 63 63 ASN HA H 1 4.084 0.007 . . 15 . . . 56 N HA . 16177 1
585 . 1 1 63 63 ASN HB2 H 1 2.685 0.010 . . 11 . . . 56 N HB2 . 16177 1
586 . 1 1 63 63 ASN CA C 13 57.183 0.153 . . 13 . . . 56 N CA . 16177 1
587 . 1 1 63 63 ASN CB C 13 38.593 0.076 . . 8 . . . 56 N CB . 16177 1
588 . 1 1 63 63 ASN N N 15 121.680 0.121 . . 16 . . . 56 N N . 16177 1
589 . 1 1 64 64 GLU H H 1 9.374 0.020 . . 23 . . . 57 E H . 16177 1
590 . 1 1 64 64 GLU HA H 1 4.043 0.009 . . 10 . . . 57 E HA . 16177 1
591 . 1 1 64 64 GLU HB2 H 1 1.929 0.008 . . 18 . . . 57 E HB2 . 16177 1
592 . 1 1 64 64 GLU HG2 H 1 2.176 0.007 . . 15 . . . 57 E HG2 . 16177 1
593 . 1 1 64 64 GLU CA C 13 59.489 0.116 . . 6 . . . 57 E CA . 16177 1
594 . 1 1 64 64 GLU CB C 13 29.166 0.182 . . 13 . . . 57 E CB . 16177 1
595 . 1 1 64 64 GLU CG C 13 36.699 0.028 . . 11 . . . 57 E CG . 16177 1
596 . 1 1 64 64 GLU N N 15 117.088 0.044 . . 21 . . . 57 E N . 16177 1
597 . 1 1 65 65 LEU H H 1 7.558 0.006 . . 27 . . . 58 L H . 16177 1
598 . 1 1 65 65 LEU HA H 1 4.343 0.008 . . 13 . . . 58 L HA . 16177 1
599 . 1 1 65 65 LEU HB2 H 1 1.385 0.005 . . 16 . . . 58 L HB2 . 16177 1
600 . 1 1 65 65 LEU HB3 H 1 1.549 0.007 . . 18 . . . 58 L HB3 . 16177 1
601 . 1 1 65 65 LEU HD11 H 1 0.798 0.009 . . 17 . . . 58 L HD11 . 16177 1
602 . 1 1 65 65 LEU HD12 H 1 0.798 0.009 . . 17 . . . 58 L HD11 . 16177 1
603 . 1 1 65 65 LEU HD13 H 1 0.798 0.009 . . 17 . . . 58 L HD11 . 16177 1
604 . 1 1 65 65 LEU HD21 H 1 0.784 0.013 . . 21 . . . 58 L HD21 . 16177 1
605 . 1 1 65 65 LEU HD22 H 1 0.784 0.013 . . 21 . . . 58 L HD21 . 16177 1
606 . 1 1 65 65 LEU HD23 H 1 0.784 0.013 . . 21 . . . 58 L HD21 . 16177 1
607 . 1 1 65 65 LEU HG H 1 1.530 0.001 . . 2 . . . 58 L HG . 16177 1
608 . 1 1 65 65 LEU CA C 13 55.236 0.150 . . 9 . . . 58 L CA . 16177 1
609 . 1 1 65 65 LEU CB C 13 43.696 0.068 . . 22 . . . 58 L CB . 16177 1
610 . 1 1 65 65 LEU CD1 C 13 24.279 0.067 . . 20 . . . 58 L CD1 . 16177 1
611 . 1 1 65 65 LEU CD2 C 13 26.074 0.046 . . 10 . . . 58 L CD2 . 16177 1
612 . 1 1 65 65 LEU CG C 13 28.079 0.074 . . 3 . . . 58 L CG . 16177 1
613 . 1 1 65 65 LEU N N 15 116.502 0.047 . . 24 . . . 58 L N . 16177 1
614 . 1 1 66 66 LYS H H 1 7.333 0.004 . . 28 . . . 59 K H . 16177 1
615 . 1 1 66 66 LYS HA H 1 4.183 0.01 . . 1 . . . 59 K HA . 16177 1
616 . 1 1 66 66 LYS HB2 H 1 1.927 0.005 . . 6 . . . 59 K HB2 . 16177 1
617 . 1 1 66 66 LYS HB3 H 1 1.842 0.004 . . 3 . . . 59 K HB3 . 16177 1
618 . 1 1 66 66 LYS HE2 H 1 3.005 0.01 . . 1 . . . 59 K HE2 . 16177 1
619 . 1 1 66 66 LYS CA C 13 63.055 0.3 . . 1 . . . 59 K CA . 16177 1
620 . 1 1 66 66 LYS CB C 13 30.862 0.149 . . 5 . . . 59 K CB . 16177 1
621 . 1 1 66 66 LYS N N 15 119.570 0.053 . . 27 . . . 59 K N . 16177 1
622 . 1 1 67 67 PRO HA H 1 4.343 0.006 . . 13 . . . 60 P HA . 16177 1
623 . 1 1 67 67 PRO HB2 H 1 2.297 0.005 . . 5 . . . 60 P HB2 . 16177 1
624 . 1 1 67 67 PRO HB3 H 1 1.750 0.013 . . 4 . . . 60 P HB3 . 16177 1
625 . 1 1 67 67 PRO HD2 H 1 3.702 0.049 . . 14 . . . 60 P HD2 . 16177 1
626 . 1 1 67 67 PRO HD3 H 1 3.523 0.006 . . 6 . . . 60 P HD3 . 16177 1
627 . 1 1 67 67 PRO HG2 H 1 1.917 0.005 . . 3 . . . 60 P HG2 . 16177 1
628 . 1 1 67 67 PRO CA C 13 66.115 0.065 . . 8 . . . 60 P CA . 16177 1
629 . 1 1 67 67 PRO CB C 13 31.444 0.034 . . 7 . . . 60 P CB . 16177 1
630 . 1 1 67 67 PRO CD C 13 50.918 0.058 . . 11 . . . 60 P CD . 16177 1
631 . 1 1 67 67 PRO CG C 13 28.800 0.040 . . 3 . . . 60 P CG . 16177 1
632 . 1 1 68 68 LYS H H 1 6.932 0.009 . . 28 . . . 61 K H . 16177 1
633 . 1 1 68 68 LYS HA H 1 4.123 0.005 . . 10 . . . 61 K HA . 16177 1
634 . 1 1 68 68 LYS HB2 H 1 1.922 0.007 . . 14 . . . 61 K HB2 . 16177 1
635 . 1 1 68 68 LYS HD2 H 1 1.690 0.001 . . 2 . . . 61 K HD2 . 16177 1
636 . 1 1 68 68 LYS HD3 H 1 1.639 0.008 . . 6 . . . 61 K HD3 . 16177 1
637 . 1 1 68 68 LYS HE2 H 1 2.877 0.007 . . 11 . . . 61 K HE2 . 16177 1
638 . 1 1 68 68 LYS HG2 H 1 1.485 0.014 . . 7 . . . 61 K HG2 . 16177 1
639 . 1 1 68 68 LYS HG3 H 1 1.462 0.002 . . 5 . . . 61 K HG3 . 16177 1
640 . 1 1 68 68 LYS CA C 13 58.256 0.154 . . 6 . . . 61 K CA . 16177 1
641 . 1 1 68 68 LYS CB C 13 31.608 0.089 . . 12 . . . 61 K CB . 16177 1
642 . 1 1 68 68 LYS CD C 13 28.420 0.107 . . 6 . . . 61 K CD . 16177 1
643 . 1 1 68 68 LYS CE C 13 42.334 0.085 . . 2 . . . 61 K CE . 16177 1
644 . 1 1 68 68 LYS CG C 13 25.116 0.125 . . 9 . . . 61 K CG . 16177 1
645 . 1 1 68 68 LYS N N 15 116.496 0.065 . . 27 . . . 61 K N . 16177 1
646 . 1 1 69 69 ILE H H 1 7.730 0.004 . . 28 . . . 62 I H . 16177 1
647 . 1 1 69 69 ILE HA H 1 3.493 0.005 . . 8 . . . 62 I HA . 16177 1
648 . 1 1 69 69 ILE HB H 1 1.900 0.004 . . 3 . . . 62 I HB . 16177 1
649 . 1 1 69 69 ILE HD11 H 1 0.640 0.005 . . 4 . . . 62 I HD11 . 16177 1
650 . 1 1 69 69 ILE HD12 H 1 0.640 0.005 . . 4 . . . 62 I HD11 . 16177 1
651 . 1 1 69 69 ILE HD13 H 1 0.640 0.005 . . 4 . . . 62 I HD11 . 16177 1
652 . 1 1 69 69 ILE HG12 H 1 0.726 0.007 . . 8 . . . 62 I HG12 . 16177 1
653 . 1 1 69 69 ILE HG21 H 1 0.712 0.011 . . 2 . . . 62 I HG21 . 16177 1
654 . 1 1 69 69 ILE HG22 H 1 0.712 0.011 . . 2 . . . 62 I HG21 . 16177 1
655 . 1 1 69 69 ILE HG23 H 1 0.712 0.011 . . 2 . . . 62 I HG21 . 16177 1
656 . 1 1 69 69 ILE CA C 13 65.690 0.115 . . 4 . . . 62 I CA . 16177 1
657 . 1 1 69 69 ILE CB C 13 37.689 0.167 . . 4 . . . 62 I CB . 16177 1
658 . 1 1 69 69 ILE CD1 C 13 14.102 0.073 . . 5 . . . 62 I CD1 . 16177 1
659 . 1 1 69 69 ILE CG2 C 13 18.060 0.067 . . 8 . . . 62 I CG2 . 16177 1
660 . 1 1 69 69 ILE N N 15 119.618 0.053 . . 26 . . . 62 I N . 16177 1
661 . 1 1 70 70 ASP H H 1 7.953 0.009 . . 25 . . . 63 D H . 16177 1
662 . 1 1 70 70 ASP HA H 1 4.295 0.010 . . 11 . . . 63 D HA . 16177 1
663 . 1 1 70 70 ASP HB2 H 1 2.645 0.016 . . 6 . . . 63 D HB2 . 16177 1
664 . 1 1 70 70 ASP HB3 H 1 2.566 0.007 . . 4 . . . 63 D HB3 . 16177 1
665 . 1 1 70 70 ASP CA C 13 58.157 0.082 . . 10 . . . 63 D CA . 16177 1
666 . 1 1 70 70 ASP CB C 13 40.509 0.129 . . 5 . . . 63 D CB . 16177 1
667 . 1 1 70 70 ASP N N 15 120.861 0.061 . . 23 . . . 63 D N . 16177 1
668 . 1 1 71 71 GLU H H 1 7.754 0.005 . . 19 . . . 64 E H . 16177 1
669 . 1 1 71 71 GLU HA H 1 3.933 0.059 . . 14 . . . 64 E HA . 16177 1
670 . 1 1 71 71 GLU HB2 H 1 2.125 0.007 . . 8 . . . 64 E HB2 . 16177 1
671 . 1 1 71 71 GLU HB3 H 1 2.224 0.009 . . 2 . . . 64 E HB3 . 16177 1
672 . 1 1 71 71 GLU HG2 H 1 2.312 0.007 . . 9 . . . 64 E HG2 . 16177 1
673 . 1 1 71 71 GLU HG3 H 1 2.161 0.005 . . 4 . . . 64 E HG3 . 16177 1
674 . 1 1 71 71 GLU CA C 13 60.149 0.058 . . 11 . . . 64 E CA . 16177 1
675 . 1 1 71 71 GLU CB C 13 30.228 0.079 . . 7 . . . 64 E CB . 16177 1
676 . 1 1 71 71 GLU CG C 13 36.439 0.079 . . 7 . . . 64 E CG . 16177 1
677 . 1 1 71 71 GLU N N 15 120.017 0.072 . . 19 . . . 64 E N . 16177 1
678 . 1 1 72 72 ILE H H 1 8.011 0.008 . . 14 . . . 65 I H . 16177 1
679 . 1 1 72 72 ILE HA H 1 3.735 0.010 . . 11 . . . 65 I HA . 16177 1
680 . 1 1 72 72 ILE HB H 1 1.865 0.010 . . 9 . . . 65 I HB . 16177 1
681 . 1 1 72 72 ILE HD11 H 1 0.657 0.009 . . 6 . . . 65 I HD11 . 16177 1
682 . 1 1 72 72 ILE HD12 H 1 0.657 0.009 . . 6 . . . 65 I HD11 . 16177 1
683 . 1 1 72 72 ILE HD13 H 1 0.657 0.009 . . 6 . . . 65 I HD11 . 16177 1
684 . 1 1 72 72 ILE HG12 H 1 1.009 0.009 . . 3 . . . 65 I HG12 . 16177 1
685 . 1 1 72 72 ILE HG13 H 1 0.858 0.01 . . 1 . . . 65 I HG13 . 16177 1
686 . 1 1 72 72 ILE HG21 H 1 0.856 0.01 . . 1 . . . 65 I HG21 . 16177 1
687 . 1 1 72 72 ILE HG22 H 1 0.856 0.01 . . 1 . . . 65 I HG21 . 16177 1
688 . 1 1 72 72 ILE HG23 H 1 0.856 0.01 . . 1 . . . 65 I HG21 . 16177 1
689 . 1 1 72 72 ILE CA C 13 65.984 0.142 . . 10 . . . 65 I CA . 16177 1
690 . 1 1 72 72 ILE CB C 13 39.280 0.147 . . 7 . . . 65 I CB . 16177 1
691 . 1 1 72 72 ILE CD1 C 13 14.770 0.060 . . 2 . . . 65 I CD1 . 16177 1
692 . 1 1 72 72 ILE N N 15 119.194 0.102 . . 14 . . . 65 I N . 16177 1
693 . 1 1 73 73 SER H H 1 8.647 0.019 . . 21 . . . 66 S H . 16177 1
694 . 1 1 73 73 SER HA H 1 4.022 0.006 . . 4 . . . 66 S HA . 16177 1
695 . 1 1 73 73 SER HB2 H 1 3.855 0.01 . . 1 . . . 66 S HB2 . 16177 1
696 . 1 1 73 73 SER CA C 13 63.017 0.205 . . 3 . . . 66 S CA . 16177 1
697 . 1 1 73 73 SER CB C 13 63.493 0.3 . . 1 . . . 66 S CB . 16177 1
698 . 1 1 73 73 SER N N 15 114.894 0.031 . . 19 . . . 66 S N . 16177 1
699 . 1 1 74 74 LYS H H 1 7.459 0.010 . . 14 . . . 67 K H . 16177 1
700 . 1 1 74 74 LYS HA H 1 4.025 0.012 . . 13 . . . 67 K HA . 16177 1
701 . 1 1 74 74 LYS HB2 H 1 1.830 0.011 . . 8 . . . 67 K HB2 . 16177 1
702 . 1 1 74 74 LYS HB3 H 1 1.921 0.002 . . 2 . . . 67 K HB3 . 16177 1
703 . 1 1 74 74 LYS HD2 H 1 1.607 0.001 . . 2 . . . 67 K HD2 . 16177 1
704 . 1 1 74 74 LYS HE2 H 1 2.886 0.004 . . 2 . . . 67 K HE2 . 16177 1
705 . 1 1 74 74 LYS HG2 H 1 1.601 0.002 . . 2 . . . 67 K HG2 . 16177 1
706 . 1 1 74 74 LYS HG3 H 1 1.613 0.001 . . 2 . . . 67 K HG3 . 16177 1
707 . 1 1 74 74 LYS CA C 13 59.185 0.287 . . 11 . . . 67 K CA . 16177 1
708 . 1 1 74 74 LYS CB C 13 32.981 0.048 . . 6 . . . 67 K CB . 16177 1
709 . 1 1 74 74 LYS CD C 13 29.742 0.082 . . 2 . . . 67 K CD . 16177 1
710 . 1 1 74 74 LYS CE C 13 42.767 0.3 . . 1 . . . 67 K CE . 16177 1
711 . 1 1 74 74 LYS CG C 13 25.661 0.3 . . 1 . . . 67 K CG . 16177 1
712 . 1 1 74 74 LYS N N 15 119.071 0.057 . . 13 . . . 67 K N . 16177 1
713 . 1 1 75 75 ARG H H 1 7.436 0.006 . . 25 . . . 68 R H . 16177 1
714 . 1 1 75 75 ARG HA H 1 4.071 0.009 . . 5 . . . 68 R HA . 16177 1
715 . 1 1 75 75 ARG HB2 H 1 1.788 0.008 . . 5 . . . 68 R HB2 . 16177 1
716 . 1 1 75 75 ARG HB3 H 1 1.762 0.01 . . 1 . . . 68 R HB3 . 16177 1
717 . 1 1 75 75 ARG HD2 H 1 3.000 0.003 . . 6 . . . 68 R HD2 . 16177 1
718 . 1 1 75 75 ARG HD3 H 1 3.106 0.011 . . 5 . . . 68 R HD3 . 16177 1
719 . 1 1 75 75 ARG HG3 H 1 1.314 0.014 . . 3 . . . 68 R HG3 . 16177 1
720 . 1 1 75 75 ARG CA C 13 58.494 0.061 . . 3 . . . 68 R CA . 16177 1
721 . 1 1 75 75 ARG CB C 13 31.226 0.054 . . 4 . . . 68 R CB . 16177 1
722 . 1 1 75 75 ARG CD C 13 44.305 0.040 . . 9 . . . 68 R CD . 16177 1
723 . 1 1 75 75 ARG CG C 13 28.201 0.3 . . 1 . . . 68 R CG . 16177 1
724 . 1 1 75 75 ARG N N 15 115.607 0.125 . . 25 . . . 68 R N . 16177 1
725 . 1 1 76 76 PHE H H 1 7.604 0.006 . . 19 . . . 69 F H . 16177 1
726 . 1 1 76 76 PHE HA H 1 3.911 0.016 . . 5 . . . 69 F HA . 16177 1
727 . 1 1 76 76 PHE HB2 H 1 2.421 0.005 . . 6 . . . 69 F HB2 . 16177 1
728 . 1 1 76 76 PHE HB3 H 1 2.178 0.01 . . 1 . . . 69 F HB3 . 16177 1
729 . 1 1 76 76 PHE CA C 13 60.829 0.137 . . 6 . . . 69 F CA . 16177 1
730 . 1 1 76 76 PHE CB C 13 41.653 0.111 . . 5 . . . 69 F CB . 16177 1
731 . 1 1 76 76 PHE N N 15 116.463 0.067 . . 18 . . . 69 F N . 16177 1
732 . 1 1 77 77 PHE H H 1 8.161 0.009 . . 21 . . . 70 F H . 16177 1
733 . 1 1 77 77 PHE HA H 1 5.047 0.007 . . 7 . . . 70 F HA . 16177 1
734 . 1 1 77 77 PHE HB2 H 1 3.086 0.008 . . 5 . . . 70 F HB2 . 16177 1
735 . 1 1 77 77 PHE HB3 H 1 2.896 0.009 . . 3 . . . 70 F HB3 . 16177 1
736 . 1 1 77 77 PHE CA C 13 55.257 0.103 . . 4 . . . 70 F CA . 16177 1
737 . 1 1 77 77 PHE CB C 13 39.633 0.074 . . 4 . . . 70 F CB . 16177 1
738 . 1 1 77 77 PHE N N 15 117.192 0.115 . . 21 . . . 70 F N . 16177 1
739 . 1 1 78 78 PRO HA H 1 4.417 0.006 . . 10 . . . 71 P HA . 16177 1
740 . 1 1 78 78 PRO HB2 H 1 2.251 0.006 . . 8 . . . 71 P HB2 . 16177 1
741 . 1 1 78 78 PRO HB3 H 1 1.859 0.006 . . 5 . . . 71 P HB3 . 16177 1
742 . 1 1 78 78 PRO HD2 H 1 3.275 0.010 . . 8 . . . 71 P HD2 . 16177 1
743 . 1 1 78 78 PRO HD3 H 1 3.496 0.009 . . 3 . . . 71 P HD3 . 16177 1
744 . 1 1 78 78 PRO HG2 H 1 0.842 0.01 . . 1 . . . 71 P HG2 . 16177 1
745 . 1 1 78 78 PRO CA C 13 63.937 0.053 . . 8 . . . 71 P CA . 16177 1
746 . 1 1 78 78 PRO CB C 13 32.547 0.061 . . 7 . . . 71 P CB . 16177 1
747 . 1 1 78 78 PRO CD C 13 50.747 0.054 . . 6 . . . 71 P CD . 16177 1
748 . 1 1 78 78 PRO CG C 13 27.658 0.3 . . 1 . . . 71 P CG . 16177 1
749 . 1 1 79 79 ALA H H 1 8.223 0.006 . . 24 . . . 72 A H . 16177 1
750 . 1 1 79 79 ALA HA H 1 4.280 0.004 . . 3 . . . 72 A HA . 16177 1
751 . 1 1 79 79 ALA HB1 H 1 1.324 0.002 . . 3 . . . 72 A HB1 . 16177 1
752 . 1 1 79 79 ALA HB2 H 1 1.324 0.002 . . 3 . . . 72 A HB1 . 16177 1
753 . 1 1 79 79 ALA HB3 H 1 1.324 0.002 . . 3 . . . 72 A HB1 . 16177 1
754 . 1 1 79 79 ALA CA C 13 52.807 0.036 . . 4 . . . 72 A CA . 16177 1
755 . 1 1 79 79 ALA CB C 13 19.768 0.038 . . 4 . . . 72 A CB . 16177 1
756 . 1 1 79 79 ALA N N 15 123.839 0.049 . . 24 . . . 72 A N . 16177 1
757 . 1 1 80 80 LYS H H 1 7.689 0.006 . . 14 . . . 73 K H . 16177 1
758 . 1 1 80 80 LYS CA C 13 58.129 0.3 . . 1 . . . 73 K CA . 16177 1
759 . 1 1 80 80 LYS CB C 13 34.404 0.3 . . 1 . . . 73 K CB . 16177 1
760 . 1 1 80 80 LYS N N 15 125.559 0.041 . . 13 . . . 73 K N . 16177 1
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