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 17244
_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' . . . 17244 1
2 '3D CBCA(CO)NH' . . . 17244 1
3 '3D HNCACB' . . . 17244 1
4 '3D C(CO)NH' . . . 17244 1
5 '3D HBHA(CO)NH' . . . 17244 1
6 '3D H(CCO)NH' . . . 17244 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 ALA HA H 1 4.208 0.003 . 1 . . . . 1 A HA . 17244 1
2 . 1 1 1 1 ALA HB1 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1
3 . 1 1 1 1 ALA HB2 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1
4 . 1 1 1 1 ALA HB3 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1
5 . 1 1 1 1 ALA CA C 13 51.921 0.055 . 1 . . . . 1 A CA . 17244 1
6 . 1 1 1 1 ALA CB C 13 20.775 0.206 . 1 . . . . 1 A CB . 17244 1
7 . 1 1 2 2 ARG H H 1 10.466 0.004 . 1 . . . . 2 R HN . 17244 1
8 . 1 1 2 2 ARG HA H 1 4.558 0.003 . 1 . . . . 2 R HA . 17244 1
9 . 1 1 2 2 ARG HB2 H 1 1.925 0.017 . 2 . . . . 2 R QB . 17244 1
10 . 1 1 2 2 ARG HB3 H 1 1.925 0.017 . 2 . . . . 2 R QB . 17244 1
11 . 1 1 2 2 ARG HD2 H 1 3.119 0.005 . 2 . . . . 2 R QD . 17244 1
12 . 1 1 2 2 ARG HD3 H 1 3.119 0.005 . 2 . . . . 2 R QD . 17244 1
13 . 1 1 2 2 ARG HG2 H 1 1.768 0.016 . 2 . . . . 2 R QG . 17244 1
14 . 1 1 2 2 ARG HG3 H 1 1.768 0.016 . 2 . . . . 2 R QG . 17244 1
15 . 1 1 2 2 ARG CA C 13 56.301 0.119 . 1 . . . . 2 R CA . 17244 1
16 . 1 1 2 2 ARG CB C 13 31.439 0.058 . 1 . . . . 2 R CB . 17244 1
17 . 1 1 2 2 ARG CD C 13 43.532 0.01 . 1 . . . . 2 R CD . 17244 1
18 . 1 1 2 2 ARG CG C 13 28.154 0.047 . 1 . . . . 2 R CG . 17244 1
19 . 1 1 2 2 ARG N N 15 125.062 0.222 . 1 . . . . 2 R N . 17244 1
20 . 1 1 3 3 THR H H 1 8.048 0.005 . 1 . . . . 3 T HN . 17244 1
21 . 1 1 3 3 THR HA H 1 4.403 0.002 . 1 . . . . 3 T HA . 17244 1
22 . 1 1 3 3 THR HB H 1 4.227 0.007 . 1 . . . . 3 T HB . 17244 1
23 . 1 1 3 3 THR HG21 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1
24 . 1 1 3 3 THR HG22 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1
25 . 1 1 3 3 THR HG23 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1
26 . 1 1 3 3 THR CA C 13 58.514 0.179 . 1 . . . . 3 T CA . 17244 1
27 . 1 1 3 3 THR CB C 13 72.473 0.089 . 1 . . . . 3 T CB . 17244 1
28 . 1 1 3 3 THR CG2 C 13 22.374 0.068 . 1 . . . . 3 T CG2 . 17244 1
29 . 1 1 3 3 THR N N 15 112.716 0.167 . 1 . . . . 3 T N . 17244 1
30 . 1 1 4 4 LYS H H 1 8.569 0.01 . 1 . . . . 4 K HN . 17244 1
31 . 1 1 4 4 LYS HA H 1 4.407 0.002 . 1 . . . . 4 K HA . 17244 1
32 . 1 1 4 4 LYS HB2 H 1 1.849 0.013 . 2 . . . . 4 K HB2 . 17244 1
33 . 1 1 4 4 LYS HB3 H 1 1.513 0.014 . 2 . . . . 4 K HB3 . 17244 1
34 . 1 1 4 4 LYS CA C 13 56.968 0.091 . 1 . . . . 4 K CA . 17244 1
35 . 1 1 4 4 LYS CB C 13 33.665 0.216 . 1 . . . . 4 K CB . 17244 1
36 . 1 1 4 4 LYS CD C 13 30.621 0.144 . 1 . . . . 4 K CD . 17244 1
37 . 1 1 4 4 LYS CG C 13 26.172 0.053 . 1 . . . . 4 K CG . 17244 1
38 . 1 1 4 4 LYS N N 15 122.277 0.047 . 1 . . . . 4 K N . 17244 1
39 . 1 1 5 5 GLN H H 1 9.089 0.006 . 1 . . . . 5 Q HN . 17244 1
40 . 1 1 5 5 GLN HA H 1 4.434 0.005 . 1 . . . . 5 Q HA . 17244 1
41 . 1 1 5 5 GLN HB2 H 1 2.093 0.014 . 2 . . . . 5 Q QB . 17244 1
42 . 1 1 5 5 GLN HB3 H 1 2.093 0.014 . 2 . . . . 5 Q QB . 17244 1
43 . 1 1 5 5 GLN HE21 H 1 6.817 0.015 . 2 . . . . 5 Q HE21 . 17244 1
44 . 1 1 5 5 GLN HE22 H 1 7.409 0.015 . 2 . . . . 5 Q HE22 . 17244 1
45 . 1 1 5 5 GLN HG2 H 1 2.37 0.002 . 2 . . . . 5 Q QG . 17244 1
46 . 1 1 5 5 GLN HG3 H 1 2.37 0.002 . 2 . . . . 5 Q QG . 17244 1
47 . 1 1 5 5 GLN CA C 13 55.931 0.134 . 1 . . . . 5 Q CA . 17244 1
48 . 1 1 5 5 GLN CB C 13 29.823 0.012 . 1 . . . . 5 Q CB . 17244 1
49 . 1 1 5 5 GLN CG C 13 34.079 0.036 . 1 . . . . 5 Q CG . 17244 1
50 . 1 1 5 5 GLN N N 15 127.372 0.228 . 1 . . . . 5 Q N . 17244 1
51 . 1 1 5 5 GLN NE2 N 15 111.945 0.134 . 1 . . . . 5 Q NE2 . 17244 1
52 . 1 1 6 6 THR H H 1 8.328 0.003 . 1 . . . . 6 T HN . 17244 1
53 . 1 1 6 6 THR HA H 1 4.321 0.002 . 1 . . . . 6 T HA . 17244 1
54 . 1 1 6 6 THR HB H 1 4.165 0.004 . 1 . . . . 6 T HB . 17244 1
55 . 1 1 6 6 THR HG21 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1
56 . 1 1 6 6 THR HG22 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1
57 . 1 1 6 6 THR HG23 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1
58 . 1 1 6 6 THR CA C 13 62.236 0.074 . 1 . . . . 6 T CA . 17244 1
59 . 1 1 6 6 THR CB C 13 69.632 0.12 . 1 . . . . 6 T CB . 17244 1
60 . 1 1 6 6 THR CG2 C 13 21.949 0.069 . 1 . . . . 6 T CG2 . 17244 1
61 . 1 1 6 6 THR N N 15 115.874 0.112 . 1 . . . . 6 T N . 17244 1
62 . 1 1 7 7 ALA H H 1 8.342 0.008 . 1 . . . . 7 A HN . 17244 1
63 . 1 1 7 7 ALA HA H 1 4.261 0.003 . 1 . . . . 7 A HA . 17244 1
64 . 1 1 7 7 ALA HB1 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1
65 . 1 1 7 7 ALA HB2 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1
66 . 1 1 7 7 ALA HB3 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1
67 . 1 1 7 7 ALA CA C 13 52.403 0.179 . 1 . . . . 7 A CA . 17244 1
68 . 1 1 7 7 ALA CB C 13 19.245 0.225 . 1 . . . . 7 A CB . 17244 1
69 . 1 1 7 7 ALA N N 15 126.261 0.039 . 1 . . . . 7 A N . 17244 1
70 . 1 1 8 8 ARG H H 1 8.109 0.015 . 1 . . . . 8 R HN . 17244 1
71 . 1 1 8 8 ARG HA H 1 4.29 0.003 . 1 . . . . 8 R HA . 17244 1
72 . 1 1 8 8 ARG HB2 H 1 1.755 0.014 . 2 . . . . 8 R QB . 17244 1
73 . 1 1 8 8 ARG HB3 H 1 1.755 0.014 . 2 . . . . 8 R QB . 17244 1
74 . 1 1 8 8 ARG HD2 H 1 3.156 0.005 . 2 . . . . 8 R QD . 17244 1
75 . 1 1 8 8 ARG HD3 H 1 3.156 0.005 . 2 . . . . 8 R QD . 17244 1
76 . 1 1 8 8 ARG HG2 H 1 1.603 0.011 . 2 . . . . 8 R QG . 17244 1
77 . 1 1 8 8 ARG HG3 H 1 1.603 0.011 . 2 . . . . 8 R QG . 17244 1
78 . 1 1 8 8 ARG CA C 13 55.929 0.069 . 1 . . . . 8 R CA . 17244 1
79 . 1 1 8 8 ARG CB C 13 30.805 0.085 . 1 . . . . 8 R CB . 17244 1
80 . 1 1 8 8 ARG CD C 13 43.369 0.01 . 1 . . . . 8 R CD . 17244 1
81 . 1 1 8 8 ARG CG C 13 27.218 0.049 . 1 . . . . 8 R CG . 17244 1
82 . 1 1 8 8 ARG N N 15 121.257 0.043 . 1 . . . . 8 R N . 17244 1
83 . 1 1 9 9 LYS H H 1 8.47 0.001 . 1 . . . . 9 K HN . 17244 1
84 . 1 1 9 9 LYS HA H 1 4.307 0.002 . 1 . . . . 9 K HA . 17244 1
85 . 1 1 9 9 LYS HB2 H 1 1.753 0.013 . 2 . . . . 9 K QB . 17244 1
86 . 1 1 9 9 LYS HB3 H 1 1.753 0.013 . 2 . . . . 9 K QB . 17244 1
87 . 1 1 9 9 LYS HD2 H 1 1.687 0.01 . 2 . . . . 9 K QD . 17244 1
88 . 1 1 9 9 LYS HD3 H 1 1.687 0.01 . 2 . . . . 9 K QD . 17244 1
89 . 1 1 9 9 LYS HE2 H 1 2.95 0.006 . 2 . . . . 9 K QE . 17244 1
90 . 1 1 9 9 LYS HE3 H 1 2.95 0.006 . 2 . . . . 9 K QE . 17244 1
91 . 1 1 9 9 LYS HG2 H 1 1.402 0.012 . 2 . . . . 9 K QG . 17244 1
92 . 1 1 9 9 LYS HG3 H 1 1.402 0.012 . 2 . . . . 9 K QG . 17244 1
93 . 1 1 9 9 LYS CA C 13 56.214 0.13 . 1 . . . . 9 K CA . 17244 1
94 . 1 1 9 9 LYS CB C 13 33.201 0.052 . 1 . . . . 9 K CB . 17244 1
95 . 1 1 9 9 LYS CD C 13 29.21 0.043 . 1 . . . . 9 K CD . 17244 1
96 . 1 1 9 9 LYS CE C 13 42.608 0.007 . 1 . . . . 9 K CE . 17244 1
97 . 1 1 9 9 LYS CG C 13 24.701 0.059 . 1 . . . . 9 K CG . 17244 1
98 . 1 1 9 9 LYS N N 15 122.978 0.103 . 1 . . . . 9 K N . 17244 1
99 . 1 1 10 10 SER H H 1 8.502 0.002 . 1 . . . . 10 S HN . 17244 1
100 . 1 1 10 10 SER HA H 1 4.357 0.003 . 1 . . . . 10 S HA . 17244 1
101 . 1 1 10 10 SER HB2 H 1 3.789 0.006 . 2 . . . . 10 S QB . 17244 1
102 . 1 1 10 10 SER HB3 H 1 3.789 0.006 . 2 . . . . 10 S QB . 17244 1
103 . 1 1 10 10 SER CA C 13 58.077 0.056 . 1 . . . . 10 S CA . 17244 1
104 . 1 1 10 10 SER CB C 13 63.83 0.105 . 1 . . . . 10 S CB . 17244 1
105 . 1 1 10 10 SER N N 15 117.502 0.06 . 1 . . . . 10 S N . 17244 1
106 . 1 1 11 11 THR H H 1 8.024 0.014 . 1 . . . . 11 T HN . 17244 1
107 . 1 1 11 11 THR HA H 1 4.431 0.005 . 1 . . . . 11 T HA . 17244 1
108 . 1 1 11 11 THR HB H 1 3.867 0.004 . 1 . . . . 11 T HB . 17244 1
109 . 1 1 11 11 THR HG21 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1
110 . 1 1 11 11 THR HG22 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1
111 . 1 1 11 11 THR HG23 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1
112 . 1 1 11 11 THR CA C 13 61.908 0.081 . 1 . . . . 11 T CA . 17244 1
113 . 1 1 11 11 THR CB C 13 69.769 0.154 . 1 . . . . 11 T CB . 17244 1
114 . 1 1 11 11 THR CG2 C 13 21.608 0.07 . 1 . . . . 11 T CG2 . 17244 1
115 . 1 1 11 11 THR N N 15 112.62 0.103 . 1 . . . . 11 T N . 17244 1
116 . 1 1 12 12 GLY H H 1 8.458 0.004 . 1 . . . . 12 G HN . 17244 1
117 . 1 1 12 12 GLY HA2 H 1 3.97 0.004 . 2 . . . . 12 G QA . 17244 1
118 . 1 1 12 12 GLY HA3 H 1 3.97 0.004 . 2 . . . . 12 G QA . 17244 1
119 . 1 1 12 12 GLY CA C 13 45.622 0.146 . 1 . . . . 12 G CA . 17244 1
120 . 1 1 12 12 GLY N N 15 110.858 0.017 . 1 . . . . 12 G N . 17244 1
121 . 1 1 13 13 GLY H H 1 8.339 0.009 . 1 . . . . 13 G HN . 17244 1
122 . 1 1 13 13 GLY CA C 13 45.348 0.118 . 1 . . . . 13 G CA . 17244 1
123 . 1 1 13 13 GLY N N 15 109.293 0.188 . 1 . . . . 13 G N . 17244 1
124 . 1 1 15 15 SER CA C 13 58.674 0.087 . 1 . . . . 15 S CA . 17244 1
125 . 1 1 15 15 SER CB C 13 63.931 0.184 . 1 . . . . 15 S CB . 17244 1
126 . 1 1 16 16 GLY H H 1 8.445 0.002 . 1 . . . . 16 G HN . 17244 1
127 . 1 1 16 16 GLY N N 15 110.791 0.015 . 1 . . . . 16 G N . 17244 1
128 . 1 1 18 18 SER CA C 13 58.859 0.03 . 1 . . . . 18 S CA . 17244 1
129 . 1 1 18 18 SER CB C 13 63.64 0.031 . 1 . . . . 18 S CB . 17244 1
130 . 1 1 19 19 GLN H H 1 8.425 0.001 . 1 . . . . 19 Q HN . 17244 1
131 . 1 1 19 19 GLN HA H 1 4.263 0.004 . 1 . . . . 19 Q HA . 17244 1
132 . 1 1 19 19 GLN HB2 H 1 2.006 0.012 . 2 . . . . 19 Q QB . 17244 1
133 . 1 1 19 19 GLN HB3 H 1 2.006 0.012 . 2 . . . . 19 Q QB . 17244 1
134 . 1 1 19 19 GLN HE21 H 1 7.576 0.001 . 2 . . . . 19 Q HE21 . 17244 1
135 . 1 1 19 19 GLN HE22 H 1 6.877 0.003 . 2 . . . . 19 Q HE22 . 17244 1
136 . 1 1 19 19 GLN HG2 H 1 2.3 0.008 . 2 . . . . 19 Q QG . 17244 1
137 . 1 1 19 19 GLN HG3 H 1 2.3 0.008 . 2 . . . . 19 Q QG . 17244 1
138 . 1 1 19 19 GLN CA C 13 56.123 0.073 . 1 . . . . 19 Q CA . 17244 1
139 . 1 1 19 19 GLN CB C 13 29.552 0.217 . 1 . . . . 19 Q CB . 17244 1
140 . 1 1 19 19 GLN CG C 13 33.835 0.123 . 1 . . . . 19 Q CG . 17244 1
141 . 1 1 19 19 GLN N N 15 122.101 0.02 . 1 . . . . 19 Q N . 17244 1
142 . 1 1 19 19 GLN NE2 N 15 112.481 0.12 . 1 . . . . 19 Q NE2 . 17244 1
143 . 1 1 20 20 SER H H 1 8.297 0.006 . 1 . . . . 20 S HN . 17244 1
144 . 1 1 20 20 SER HA H 1 4.345 0.002 . 1 . . . . 20 S HA . 17244 1
145 . 1 1 20 20 SER HB2 H 1 3.806 0.005 . 2 . . . . 20 S QB . 17244 1
146 . 1 1 20 20 SER HB3 H 1 3.806 0.005 . 2 . . . . 20 S QB . 17244 1
147 . 1 1 20 20 SER CA C 13 58.74 0.07 . 1 . . . . 20 S CA . 17244 1
148 . 1 1 20 20 SER CB C 13 63.649 0.075 . 1 . . . . 20 S CB . 17244 1
149 . 1 1 20 20 SER N N 15 116.778 0.083 . 1 . . . . 20 S N . 17244 1
150 . 1 1 21 21 LEU H H 1 8.249 0.004 . 1 . . . . 21 L HN . 17244 1
151 . 1 1 21 21 LEU HA H 1 4.282 0.003 . 1 . . . . 21 L HA . 17244 1
152 . 1 1 21 21 LEU HB2 H 1 1.554 0.015 . 2 . . . . 21 L QB . 17244 1
153 . 1 1 21 21 LEU HB3 H 1 1.554 0.015 . 2 . . . . 21 L QB . 17244 1
154 . 1 1 21 21 LEU HD11 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
155 . 1 1 21 21 LEU HD12 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
156 . 1 1 21 21 LEU HD13 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
157 . 1 1 21 21 LEU HD21 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
158 . 1 1 21 21 LEU HD22 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
159 . 1 1 21 21 LEU HD23 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1
160 . 1 1 21 21 LEU CA C 13 55.622 0.053 . 1 . . . . 21 L CA . 17244 1
161 . 1 1 21 21 LEU CB C 13 41.902 0.201 . 1 . . . . 21 L CB . 17244 1
162 . 1 1 21 21 LEU CD1 C 13 24.742 0.059 . 2 . . . . 21 L CD1 . 17244 1
163 . 1 1 21 21 LEU CG C 13 27.312 0.049 . 1 . . . . 21 L CG . 17244 1
164 . 1 1 21 21 LEU N N 15 124.125 0.018 . 1 . . . . 21 L N . 17244 1
165 . 1 1 22 22 ILE H H 1 7.909 0.004 . 1 . . . . 22 I HN . 17244 1
166 . 1 1 22 22 ILE HA H 1 3.956 0.005 . 1 . . . . 22 I HA . 17244 1
167 . 1 1 22 22 ILE HB H 1 1.687 0.013 . 1 . . . . 22 I HB . 17244 1
168 . 1 1 22 22 ILE HG12 H 1 1.342 0.018 . 2 . . . . 22 I HG12 . 17244 1
169 . 1 1 22 22 ILE HG13 H 1 1.017 0.013 . 2 . . . . 22 I HG13 . 17244 1
170 . 1 1 22 22 ILE HG21 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1
171 . 1 1 22 22 ILE HG22 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1
172 . 1 1 22 22 ILE HG23 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1
173 . 1 1 22 22 ILE CA C 13 61.367 0.092 . 1 . . . . 22 I CA . 17244 1
174 . 1 1 22 22 ILE CB C 13 38.74 0.076 . 1 . . . . 22 I CB . 17244 1
175 . 1 1 22 22 ILE CD1 C 13 17.88 0.085 . 1 . . . . 22 I CD1 . 17244 1
176 . 1 1 22 22 ILE CG1 C 13 27.532 0.049 . 1 . . . . 22 I CG1 . 17244 1
177 . 1 1 22 22 ILE N N 15 120.286 0.117 . 1 . . . . 22 I N . 17244 1
178 . 1 1 23 23 ASP H H 1 8.129 0.001 . 1 . . . . 23 D HN . 17244 1
179 . 1 1 23 23 ASP HA H 1 4.55 0.002 . 1 . . . . 23 D HA . 17244 1
180 . 1 1 23 23 ASP HB2 H 1 3.056 0.008 . 2 . . . . 23 D QB . 17244 1
181 . 1 1 23 23 ASP HB3 H 1 3.056 0.008 . 2 . . . . 23 D QB . 17244 1
182 . 1 1 23 23 ASP CA C 13 55.044 0.083 . 1 . . . . 23 D CA . 17244 1
183 . 1 1 23 23 ASP CB C 13 40.595 0.061 . 1 . . . . 23 D CB . 17244 1
184 . 1 1 23 23 ASP N N 15 122.83 0.184 . 1 . . . . 23 D N . 17244 1
185 . 1 1 24 24 GLU H H 1 8.186 0.002 . 1 . . . . 24 E HN . 17244 1
186 . 1 1 24 24 GLU HA H 1 4.197 0.003 . 1 . . . . 24 E HA . 17244 1
187 . 1 1 24 24 GLU HB2 H 1 1.958 0.014 . 2 . . . . 24 E HB2 . 17244 1
188 . 1 1 24 24 GLU HB3 H 1 1.82 0.015 . 2 . . . . 24 E HB3 . 17244 1
189 . 1 1 24 24 GLU CA C 13 58.311 0.057 . 1 . . . . 24 E CA . 17244 1
190 . 1 1 24 24 GLU CB C 13 29.964 0.054 . 1 . . . . 24 E CB . 17244 1
191 . 1 1 24 24 GLU CG C 13 36.254 0.017 . 1 . . . . 24 E CG . 17244 1
192 . 1 1 24 24 GLU N N 15 120.718 0.015 . 1 . . . . 24 E N . 17244 1
193 . 1 1 25 25 ASP H H 1 8.112 0.005 . 1 . . . . 25 D HN . 17244 1
194 . 1 1 25 25 ASP HA H 1 4.706 0.002 . 1 . . . . 25 D HA . 17244 1
195 . 1 1 25 25 ASP HB2 H 1 2.73 0.009 . 2 . . . . 25 D HB2 . 17244 1
196 . 1 1 25 25 ASP HB3 H 1 2.533 0.012 . 2 . . . . 25 D HB3 . 17244 1
197 . 1 1 25 25 ASP CA C 13 53.766 0.193 . 1 . . . . 25 D CA . 17244 1
198 . 1 1 25 25 ASP CB C 13 41.099 0.043 . 1 . . . . 25 D CB . 17244 1
199 . 1 1 25 25 ASP N N 15 117.784 0.017 . 1 . . . . 25 D N . 17244 1
200 . 1 1 26 26 ALA H H 1 7.642 0.006 . 1 . . . . 26 A HN . 17244 1
201 . 1 1 26 26 ALA HA H 1 4.221 0.003 . 1 . . . . 26 A HA . 17244 1
202 . 1 1 26 26 ALA HB1 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1
203 . 1 1 26 26 ALA HB2 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1
204 . 1 1 26 26 ALA HB3 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1
205 . 1 1 26 26 ALA CA C 13 52.958 0.208 . 1 . . . . 26 A CA . 17244 1
206 . 1 1 26 26 ALA CB C 13 20.05 0.067 . 1 . . . . 26 A CB . 17244 1
207 . 1 1 26 26 ALA N N 15 123.137 0.188 . 1 . . . . 26 A N . 17244 1
208 . 1 1 27 27 VAL H H 1 8.028 0.006 . 1 . . . . 27 V HN . 17244 1
209 . 1 1 27 27 VAL HA H 1 4.303 0.003 . 1 . . . . 27 V HA . 17244 1
210 . 1 1 27 27 VAL HB H 1 1.408 0.017 . 1 . . . . 27 V HB . 17244 1
211 . 1 1 27 27 VAL HG11 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
212 . 1 1 27 27 VAL HG12 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
213 . 1 1 27 27 VAL HG13 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
214 . 1 1 27 27 VAL HG21 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
215 . 1 1 27 27 VAL HG22 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
216 . 1 1 27 27 VAL HG23 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1
217 . 1 1 27 27 VAL CA C 13 57.925 0.051 . 1 . . . . 27 V CA . 17244 1
218 . 1 1 27 27 VAL CB C 13 34.739 0.053 . 1 . . . . 27 V CB . 17244 1
219 . 1 1 27 27 VAL CG1 C 13 21.389 0.072 . 2 . . . . 27 V CG1 . 17244 1
220 . 1 1 27 27 VAL CG2 C 13 17.944 0.084 . 2 . . . . 27 V CG2 . 17244 1
221 . 1 1 27 27 VAL N N 15 111.974 0.233 . 1 . . . . 27 V N . 17244 1
222 . 1 1 28 28 CYS H H 1 7.399 0.008 . 1 . . . . 28 C HN . 17244 1
223 . 1 1 28 28 CYS HA H 1 3.756 0.007 . 1 . . . . 28 C HA . 17244 1
224 . 1 1 28 28 CYS HB2 H 1 3.412 0.006 . 2 . . . . 28 C HB2 . 17244 1
225 . 1 1 28 28 CYS HB3 H 1 1.926 0.013 . 2 . . . . 28 C HB3 . 17244 1
226 . 1 1 28 28 CYS CA C 13 58.635 0.13 . 1 . . . . 28 C CA . 17244 1
227 . 1 1 28 28 CYS CB C 13 31.514 0.116 . 1 . . . . 28 C CB . 17244 1
228 . 1 1 28 28 CYS N N 15 122.327 0.055 . 1 . . . . 28 C N . 17244 1
229 . 1 1 29 29 SER H H 1 9.067 0.008 . 1 . . . . 29 S HN . 17244 1
230 . 1 1 29 29 SER HA H 1 4.513 0.002 . 1 . . . . 29 S HA . 17244 1
231 . 1 1 29 29 SER HB2 H 1 3.849 0.004 . 2 . . . . 29 S QB . 17244 1
232 . 1 1 29 29 SER HB3 H 1 3.849 0.004 . 2 . . . . 29 S QB . 17244 1
233 . 1 1 29 29 SER CA C 13 60.567 0.093 . 1 . . . . 29 S CA . 17244 1
234 . 1 1 29 29 SER CB C 13 64.052 0.159 . 1 . . . . 29 S CB . 17244 1
235 . 1 1 29 29 SER N N 15 123.243 0.207 . 1 . . . . 29 S N . 17244 1
236 . 1 1 30 30 ILE H H 1 9.039 0.011 . 1 . . . . 30 I HN . 17244 1
237 . 1 1 30 30 ILE HA H 1 4.26 0.003 . 1 . . . . 30 I HA . 17244 1
238 . 1 1 30 30 ILE HB H 1 1.727 0.015 . 1 . . . . 30 I HB . 17244 1
239 . 1 1 30 30 ILE HG12 H 1 1.173 0.018 . 9 . . . . 30 I QG1 . 17244 1
240 . 1 1 30 30 ILE HG13 H 1 1.173 0.018 . 9 . . . . 30 I QG1 . 17244 1
241 . 1 1 30 30 ILE HG21 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1
242 . 1 1 30 30 ILE HG22 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1
243 . 1 1 30 30 ILE HG23 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1
244 . 1 1 30 30 ILE CA C 13 64.022 0.096 . 1 . . . . 30 I CA . 17244 1
245 . 1 1 30 30 ILE CB C 13 39.059 0.136 . 1 . . . . 30 I CB . 17244 1
246 . 1 1 30 30 ILE CD1 C 13 14.174 0.158 . 1 . . . . 30 I CD1 . 17244 1
247 . 1 1 30 30 ILE CG1 C 13 28.867 0.109 . 1 . . . . 30 I CG1 . 17244 1
248 . 1 1 30 30 ILE CG2 C 13 16.646 0.155 . 1 . . . . 30 I CG2 . 17244 1
249 . 1 1 30 30 ILE N N 15 123.865 0.07 . 1 . . . . 30 I N . 17244 1
250 . 1 1 31 31 CYS H H 1 8.087 0.013 . 1 . . . . 31 C HN . 17244 1
251 . 1 1 31 31 CYS HA H 1 4.883 0.001 . 1 . . . . 31 C HA . 17244 1
252 . 1 1 31 31 CYS HB2 H 1 3.192 0.009 . 2 . . . . 31 C HB2 . 17244 1
253 . 1 1 31 31 CYS HB3 H 1 2.696 0.011 . 2 . . . . 31 C HB3 . 17244 1
254 . 1 1 31 31 CYS CA C 13 58.785 0.078 . 1 . . . . 31 C CA . 17244 1
255 . 1 1 31 31 CYS CB C 13 31.263 0.077 . 1 . . . . 31 C CB . 17244 1
256 . 1 1 31 31 CYS N N 15 117.809 0.079 . 1 . . . . 31 C N . 17244 1
257 . 1 1 32 32 MET H H 1 7.997 0.01 . 1 . . . . 32 M HN . 17244 1
258 . 1 1 32 32 MET HA H 1 4.296 0.003 . 1 . . . . 32 M HA . 17244 1
259 . 1 1 32 32 MET HB2 H 1 1.869 0.014 . 2 . . . . 32 M HB2 . 17244 1
260 . 1 1 32 32 MET HB3 H 1 1.675 0.016 . 2 . . . . 32 M HB3 . 17244 1
261 . 1 1 32 32 MET N N 15 117.656 0.006 . 1 . . . . 32 M N . 17244 1
262 . 1 1 33 33 ASP H H 1 8.403 0.011 . 1 . . . . 33 D HN . 17244 1
263 . 1 1 33 33 ASP HA H 1 5.015 0.004 . 1 . . . . 33 D HA . 17244 1
264 . 1 1 33 33 ASP HB2 H 1 3.117 0.007 . 2 . . . . 33 D HB2 . 17244 1
265 . 1 1 33 33 ASP HB3 H 1 2.657 0.012 . 2 . . . . 33 D HB3 . 17244 1
266 . 1 1 33 33 ASP CA C 13 53.782 0.163 . 1 . . . . 33 D CA . 17244 1
267 . 1 1 33 33 ASP CB C 13 45.886 0.195 . 1 . . . . 33 D CB . 17244 1
268 . 1 1 33 33 ASP N N 15 121.157 0.017 . 1 . . . . 33 D N . 17244 1
269 . 1 1 34 34 GLY H H 1 8.679 0.007 . 1 . . . . 34 G HN . 17244 1
270 . 1 1 34 34 GLY HA2 H 1 4.363 0.002 . 2 . . . . 34 G HA2 . 17244 1
271 . 1 1 34 34 GLY HA3 H 1 3.677 0.005 . 2 . . . . 34 G HA3 . 17244 1
272 . 1 1 34 34 GLY CA C 13 45.412 0.178 . 1 . . . . 34 G CA . 17244 1
273 . 1 1 34 34 GLY N N 15 111.963 0.142 . 1 . . . . 34 G N . 17244 1
274 . 1 1 35 35 GLU H H 1 8.614 0.007 . 1 . . . . 35 E HN . 17244 1
275 . 1 1 35 35 GLU HA H 1 4.204 0.003 . 1 . . . . 35 E HA . 17244 1
276 . 1 1 35 35 GLU HB2 H 1 2.079 0.012 . 2 . . . . 35 E QB . 17244 1
277 . 1 1 35 35 GLU HB3 H 1 2.079 0.012 . 2 . . . . 35 E QB . 17244 1
278 . 1 1 35 35 GLU HG2 H 1 2.268 0.008 . 2 . . . . 35 E QG . 17244 1
279 . 1 1 35 35 GLU HG3 H 1 2.268 0.008 . 2 . . . . 35 E QG . 17244 1
280 . 1 1 35 35 GLU CA C 13 57.253 0.067 . 1 . . . . 35 E CA . 17244 1
281 . 1 1 35 35 GLU CB C 13 29.889 0.168 . 1 . . . . 35 E CB . 17244 1
282 . 1 1 35 35 GLU CG C 13 36.584 0.015 . 1 . . . . 35 E CG . 17244 1
283 . 1 1 35 35 GLU N N 15 122.754 0.269 . 1 . . . . 35 E N . 17244 1
284 . 1 1 36 36 SER H H 1 8.912 0.006 . 1 . . . . 36 S HN . 17244 1
285 . 1 1 36 36 SER HA H 1 4.291 0.003 . 1 . . . . 36 S HA . 17244 1
286 . 1 1 36 36 SER HB2 H 1 4.11 0.003 . 2 . . . . 36 S QB . 17244 1
287 . 1 1 36 36 SER HB3 H 1 4.11 0.003 . 2 . . . . 36 S QB . 17244 1
288 . 1 1 36 36 SER CA C 13 56.866 0.071 . 1 . . . . 36 S CA . 17244 1
289 . 1 1 36 36 SER CB C 13 63.479 0.029 . 1 . . . . 36 S CB . 17244 1
290 . 1 1 36 36 SER N N 15 121.176 0.175 . 1 . . . . 36 S N . 17244 1
291 . 1 1 37 37 GLN H H 1 7.965 0.003 . 1 . . . . 37 Q HN . 17244 1
292 . 1 1 37 37 GLN HA H 1 4.654 0.001 . 1 . . . . 37 Q HA . 17244 1
293 . 1 1 37 37 GLN HB2 H 1 2.19 0.013 . 2 . . . . 37 Q HB2 . 17244 1
294 . 1 1 37 37 GLN HB3 H 1 1.829 0.015 . 2 . . . . 37 Q HB3 . 17244 1
295 . 1 1 37 37 GLN HG2 H 1 2.292 0.009 . 2 . . . . 37 Q QG . 17244 1
296 . 1 1 37 37 GLN HG3 H 1 2.292 0.009 . 2 . . . . 37 Q QG . 17244 1
297 . 1 1 37 37 GLN CA C 13 54.468 0.139 . 1 . . . . 37 Q CA . 17244 1
298 . 1 1 37 37 GLN CB C 13 31.369 0.062 . 1 . . . . 37 Q CB . 17244 1
299 . 1 1 37 37 GLN CG C 13 33.093 0.028 . 1 . . . . 37 Q CG . 17244 1
300 . 1 1 37 37 GLN N N 15 122.149 0.059 . 1 . . . . 37 Q N . 17244 1
301 . 1 1 38 38 ASN H H 1 8.924 0.006 . 1 . . . . 38 N HN . 17244 1
302 . 1 1 38 38 ASN HA H 1 4.236 0.006 . 1 . . . . 38 N HA . 17244 1
303 . 1 1 38 38 ASN HB2 H 1 2.779 0.009 . 2 . . . . 38 N QB . 17244 1
304 . 1 1 38 38 ASN HB3 H 1 2.779 0.009 . 2 . . . . 38 N QB . 17244 1
305 . 1 1 38 38 ASN HD21 H 1 7.695 0.013 . 2 . . . . 38 N HD21 . 17244 1
306 . 1 1 38 38 ASN HD22 H 1 6.968 0.012 . 2 . . . . 38 N HD22 . 17244 1
307 . 1 1 38 38 ASN CA C 13 56.078 0.08 . 1 . . . . 38 N CA . 17244 1
308 . 1 1 38 38 ASN CB C 13 37.939 0.044 . 1 . . . . 38 N CB . 17244 1
309 . 1 1 38 38 ASN N N 15 118.834 0.058 . 1 . . . . 38 N N . 17244 1
310 . 1 1 38 38 ASN ND2 N 15 113.422 0.001 . 1 . . . . 38 N ND2 . 17244 1
311 . 1 1 39 39 SER H H 1 8.137 0.007 . 1 . . . . 39 S HN . 17244 1
312 . 1 1 39 39 SER HA H 1 4.36 0.002 . 1 . . . . 39 S HA . 17244 1
313 . 1 1 39 39 SER HB2 H 1 3.79 0.006 . 2 . . . . 39 S QB . 17244 1
314 . 1 1 39 39 SER HB3 H 1 3.79 0.006 . 2 . . . . 39 S QB . 17244 1
315 . 1 1 39 39 SER CA C 13 58.835 0.057 . 1 . . . . 39 S CA . 17244 1
316 . 1 1 39 39 SER CB C 13 63.117 0.103 . 1 . . . . 39 S CB . 17244 1
317 . 1 1 39 39 SER N N 15 113.136 0.082 . 1 . . . . 39 S N . 17244 1
318 . 1 1 40 40 ASN H H 1 8.005 0.007 . 1 . . . . 40 N HN . 17244 1
319 . 1 1 40 40 ASN HA H 1 4.873 0.002 . 1 . . . . 40 N HA . 17244 1
320 . 1 1 40 40 ASN HB2 H 1 2.554 0.01 . 2 . . . . 40 N QB . 17244 1
321 . 1 1 40 40 ASN HB3 H 1 2.554 0.01 . 2 . . . . 40 N QB . 17244 1
322 . 1 1 40 40 ASN HD21 H 1 6.985 0.011 . 2 . . . . 40 N HD21 . 17244 1
323 . 1 1 40 40 ASN HD22 H 1 6.755 0.01 . 2 . . . . 40 N HD22 . 17244 1
324 . 1 1 40 40 ASN CA C 13 52.849 0.081 . 1 . . . . 40 N CA . 17244 1
325 . 1 1 40 40 ASN CB C 13 37.542 0.042 . 1 . . . . 40 N CB . 17244 1
326 . 1 1 40 40 ASN N N 15 121.324 0.095 . 1 . . . . 40 N N . 17244 1
327 . 1 1 40 40 ASN ND2 N 15 111.004 0.001 . 1 . . . . 40 N ND2 . 17244 1
328 . 1 1 41 41 VAL H H 1 8.569 0.007 . 1 . . . . 41 V HN . 17244 1
329 . 1 1 41 41 VAL HA H 1 4.355 0.003 . 1 . . . . 41 V HA . 17244 1
330 . 1 1 41 41 VAL HB H 1 2.053 0.013 . 1 . . . . 41 V HB . 17244 1
331 . 1 1 41 41 VAL HG11 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1
332 . 1 1 41 41 VAL HG12 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1
333 . 1 1 41 41 VAL HG13 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1
334 . 1 1 41 41 VAL HG21 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1
335 . 1 1 41 41 VAL HG22 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1
336 . 1 1 41 41 VAL HG23 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1
337 . 1 1 41 41 VAL CA C 13 61.357 0.246 . 1 . . . . 41 V CA . 17244 1
338 . 1 1 41 41 VAL CB C 13 33.274 0.12 . 1 . . . . 41 V CB . 17244 1
339 . 1 1 41 41 VAL CG1 C 13 21.558 0.104 . 2 . . . . 41 V CG1 . 17244 1
340 . 1 1 41 41 VAL CG2 C 13 19.366 0.24 . 2 . . . . 41 V CG2 . 17244 1
341 . 1 1 41 41 VAL N N 15 119.913 0.087 . 1 . . . . 41 V N . 17244 1
342 . 1 1 42 42 ILE H H 1 8.098 0.01 . 1 . . . . 42 I HN . 17244 1
343 . 1 1 42 42 ILE HA H 1 3.985 0.004 . 1 . . . . 42 I HA . 17244 1
344 . 1 1 42 42 ILE HB H 1 1.077 0.019 . 1 . . . . 42 I HB . 17244 1
345 . 1 1 42 42 ILE HD11 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1
346 . 1 1 42 42 ILE HD12 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1
347 . 1 1 42 42 ILE HD13 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1
348 . 1 1 42 42 ILE HG21 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1
349 . 1 1 42 42 ILE HG22 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1
350 . 1 1 42 42 ILE HG23 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1
351 . 1 1 42 42 ILE CA C 13 61.167 0.144 . 1 . . . . 42 I CA . 17244 1
352 . 1 1 42 42 ILE CB C 13 37.995 0.078 . 1 . . . . 42 I CB . 17244 1
353 . 1 1 42 42 ILE CD1 C 13 17.244 0.087 . 1 . . . . 42 I CD1 . 17244 1
354 . 1 1 42 42 ILE CG1 C 13 30.666 0.037 . 1 . . . . 42 I CG1 . 17244 1
355 . 1 1 42 42 ILE N N 15 120.873 0.016 . 1 . . . . 42 I N . 17244 1
356 . 1 1 43 43 LEU H H 1 8.398 0.007 . 1 . . . . 43 L HN . 17244 1
357 . 1 1 43 43 LEU HA H 1 4.53 0.012 . 1 . . . . 43 L HA . 17244 1
358 . 1 1 43 43 LEU HB2 H 1 0.909 0.02 . 2 . . . . 43 L HB2 . 17244 1
359 . 1 1 43 43 LEU HB3 H 1 0.744 0.02 . 2 . . . . 43 L HB3 . 17244 1
360 . 1 1 43 43 LEU HD11 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1
361 . 1 1 43 43 LEU HD12 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1
362 . 1 1 43 43 LEU HD13 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1
363 . 1 1 43 43 LEU HD21 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1
364 . 1 1 43 43 LEU HD22 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1
365 . 1 1 43 43 LEU HD23 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1
366 . 1 1 43 43 LEU HG H 1 0.805 0.014 . 1 . . . . 43 L HG . 17244 1
367 . 1 1 43 43 LEU CA C 13 53.634 0.185 . 1 . . . . 43 L CA . 17244 1
368 . 1 1 43 43 LEU CB C 13 45.719 0.066 . 1 . . . . 43 L CB . 17244 1
369 . 1 1 43 43 LEU CD1 C 13 26.64 0.052 . 2 . . . . 43 L CD1 . 17244 1
370 . 1 1 43 43 LEU N N 15 129.196 0.145 . 1 . . . . 43 L N . 17244 1
371 . 1 1 44 44 PHE H H 1 7.482 0.004 . 1 . . . . 44 F HN . 17244 1
372 . 1 1 44 44 PHE HA H 1 5.724 0.004 . 1 . . . . 44 F HA . 17244 1
373 . 1 1 44 44 PHE HB2 H 1 2.743 0.009 . 2 . . . . 44 F HB2 . 17244 1
374 . 1 1 44 44 PHE HB3 H 1 2.485 0.01 . 2 . . . . 44 F HB3 . 17244 1
375 . 1 1 44 44 PHE CA C 13 55.128 0.123 . 1 . . . . 44 F CA . 17244 1
376 . 1 1 44 44 PHE CB C 13 42.023 0.074 . 1 . . . . 44 F CB . 17244 1
377 . 1 1 44 44 PHE N N 15 114.198 0.215 . 1 . . . . 44 F N . 17244 1
378 . 1 1 45 45 CYS H H 1 9.293 0.007 . 1 . . . . 45 C HN . 17244 1
379 . 1 1 45 45 CYS HA H 1 4.743 0.005 . 1 . . . . 45 C HA . 17244 1
380 . 1 1 45 45 CYS HB2 H 1 3.309 0.007 . 2 . . . . 45 C HB2 . 17244 1
381 . 1 1 45 45 CYS HB3 H 1 2.755 0.008 . 2 . . . . 45 C HB3 . 17244 1
382 . 1 1 45 45 CYS CA C 13 59.529 0.166 . 1 . . . . 45 C CA . 17244 1
383 . 1 1 45 45 CYS CB C 13 30.615 0.097 . 1 . . . . 45 C CB . 17244 1
384 . 1 1 45 45 CYS N N 15 124.785 0.176 . 1 . . . . 45 C N . 17244 1
385 . 1 1 46 46 ASP H H 1 9.396 0.006 . 1 . . . . 46 D HN . 17244 1
386 . 1 1 46 46 ASP HA H 1 4.613 0.004 . 1 . . . . 46 D HA . 17244 1
387 . 1 1 46 46 ASP HB2 H 1 2.732 0.01 . 2 . . . . 46 D HB2 . 17244 1
388 . 1 1 46 46 ASP HB3 H 1 2.49 0.012 . 2 . . . . 46 D HB3 . 17244 1
389 . 1 1 46 46 ASP CA C 13 57.908 0.059 . 1 . . . . 46 D CA . 17244 1
390 . 1 1 46 46 ASP CB C 13 42.472 0.085 . 1 . . . . 46 D CB . 17244 1
391 . 1 1 46 46 ASP N N 15 129.807 0.159 . 1 . . . . 46 D N . 17244 1
392 . 1 1 47 47 MET H H 1 9.164 0.008 . 1 . . . . 47 M HN . 17244 1
393 . 1 1 47 47 MET HA H 1 4.668 0.003 . 1 . . . . 47 M HA . 17244 1
394 . 1 1 47 47 MET HB2 H 1 2.545 0.011 . 2 . . . . 47 M HB2 . 17244 1
395 . 1 1 47 47 MET HB3 H 1 2.026 0.014 . 2 . . . . 47 M HB3 . 17244 1
396 . 1 1 47 47 MET HG2 H 1 2.434 0.008 . 2 . . . . 47 M QG . 17244 1
397 . 1 1 47 47 MET HG3 H 1 2.434 0.008 . 2 . . . . 47 M QG . 17244 1
398 . 1 1 47 47 MET CA C 13 57.679 0.071 . 1 . . . . 47 M CA . 17244 1
399 . 1 1 47 47 MET CB C 13 34.917 0.105 . 1 . . . . 47 M CB . 17244 1
400 . 1 1 47 47 MET CG C 13 33.026 0.029 . 1 . . . . 47 M CG . 17244 1
401 . 1 1 47 47 MET N N 15 121.092 0.205 . 1 . . . . 47 M N . 17244 1
402 . 1 1 48 48 CYS H H 1 8.391 0.006 . 1 . . . . 48 C HN . 17244 1
403 . 1 1 48 48 CYS HA H 1 4.895 0.003 . 1 . . . . 48 C HA . 17244 1
404 . 1 1 48 48 CYS HB2 H 1 3.185 0.009 . 2 . . . . 48 C HB2 . 17244 1
405 . 1 1 48 48 CYS HB3 H 1 2.467 0.012 . 2 . . . . 48 C HB3 . 17244 1
406 . 1 1 48 48 CYS CA C 13 59.017 0.101 . 1 . . . . 48 C CA . 17244 1
407 . 1 1 48 48 CYS CB C 13 32.902 0.093 . 1 . . . . 48 C CB . 17244 1
408 . 1 1 48 48 CYS N N 15 119.659 0.087 . 1 . . . . 48 C N . 17244 1
409 . 1 1 49 49 ASN H H 1 8.069 0.011 . 1 . . . . 49 N HN . 17244 1
410 . 1 1 49 49 ASN HA H 1 4.717 0.015 . 1 . . . . 49 N HA . 17244 1
411 . 1 1 49 49 ASN HB2 H 1 2.947 0.008 . 2 . . . . 49 N HB2 . 17244 1
412 . 1 1 49 49 ASN HB3 H 1 2.79 0.008 . 2 . . . . 49 N HB3 . 17244 1
413 . 1 1 49 49 ASN HD21 H 1 6.779 0.009 . 2 . . . . 49 N HD21 . 17244 1
414 . 1 1 49 49 ASN HD22 H 1 7.61 0.008 . 2 . . . . 49 N HD22 . 17244 1
415 . 1 1 49 49 ASN CA C 13 55.373 0.13 . 1 . . . . 49 N CA . 17244 1
416 . 1 1 49 49 ASN CB C 13 39.609 0.085 . 1 . . . . 49 N CB . 17244 1
417 . 1 1 49 49 ASN N N 15 119.172 0.004 . 1 . . . . 49 N N . 17244 1
418 . 1 1 49 49 ASN ND2 N 15 112.521 0.001 . 1 . . . . 49 N ND2 . 17244 1
419 . 1 1 50 50 LEU H H 1 8.65 0.006 . 1 . . . . 50 L HN . 17244 1
420 . 1 1 50 50 LEU HA H 1 3.998 0.004 . 1 . . . . 50 L HA . 17244 1
421 . 1 1 50 50 LEU HB2 H 1 1.996 0.012 . 2 . . . . 50 L HB2 . 17244 1
422 . 1 1 50 50 LEU HB3 H 1 1.496 0.018 . 2 . . . . 50 L HB3 . 17244 1
423 . 1 1 50 50 LEU HD11 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1
424 . 1 1 50 50 LEU HD12 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1
425 . 1 1 50 50 LEU HD13 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1
426 . 1 1 50 50 LEU HD21 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1
427 . 1 1 50 50 LEU HD22 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1
428 . 1 1 50 50 LEU HD23 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1
429 . 1 1 50 50 LEU HG H 1 1.321 0.018 . 1 . . . . 50 L HG . 17244 1
430 . 1 1 50 50 LEU CA C 13 57.562 0.101 . 1 . . . . 50 L CA . 17244 1
431 . 1 1 50 50 LEU CB C 13 44.02 0.058 . 1 . . . . 50 L CB . 17244 1
432 . 1 1 50 50 LEU CD1 C 13 26.414 0.053 . 2 . . . . 50 L CD1 . 17244 1
433 . 1 1 50 50 LEU N N 15 123.831 0.103 . 1 . . . . 50 L N . 17244 1
434 . 1 1 51 51 ALA H H 1 8.242 0.007 . 1 . . . . 51 A HN . 17244 1
435 . 1 1 51 51 ALA HA H 1 5.219 0.005 . 1 . . . . 51 A HA . 17244 1
436 . 1 1 51 51 ALA HB1 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1
437 . 1 1 51 51 ALA HB2 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1
438 . 1 1 51 51 ALA HB3 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1
439 . 1 1 51 51 ALA CA C 13 49.355 0.055 . 1 . . . . 51 A CA . 17244 1
440 . 1 1 51 51 ALA CB C 13 20.516 0.22 . 1 . . . . 51 A CB . 17244 1
441 . 1 1 51 51 ALA N N 15 129.019 0.234 . 1 . . . . 51 A N . 17244 1
442 . 1 1 52 52 VAL H H 1 8.474 0.008 . 1 . . . . 52 V HN . 17244 1
443 . 1 1 52 52 VAL HA H 1 5.366 0.002 . 1 . . . . 52 V HA . 17244 1
444 . 1 1 52 52 VAL HB H 1 1.93 0.013 . 1 . . . . 52 V HB . 17244 1
445 . 1 1 52 52 VAL HG11 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1
446 . 1 1 52 52 VAL HG12 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1
447 . 1 1 52 52 VAL HG13 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1
448 . 1 1 52 52 VAL HG21 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1
449 . 1 1 52 52 VAL HG22 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1
450 . 1 1 52 52 VAL HG23 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1
451 . 1 1 52 52 VAL CA C 13 58.27 0.062 . 1 . . . . 52 V CA . 17244 1
452 . 1 1 52 52 VAL CB C 13 37.734 0.11 . 1 . . . . 52 V CB . 17244 1
453 . 1 1 52 52 VAL CG1 C 13 23.648 0.063 . 2 . . . . 52 V CG1 . 17244 1
454 . 1 1 52 52 VAL N N 15 116.019 0.128 . 1 . . . . 52 V N . 17244 1
455 . 1 1 53 53 HIS H H 1 9.221 0.006 . 1 . . . . 53 H HN . 17244 1
456 . 1 1 53 53 HIS HA H 1 4.595 0.001 . 1 . . . . 53 H HA . 17244 1
457 . 1 1 53 53 HIS HB2 H 1 3.073 0.009 . 2 . . . . 53 H QB . 17244 1
458 . 1 1 53 53 HIS HB3 H 1 3.073 0.009 . 2 . . . . 53 H QB . 17244 1
459 . 1 1 53 53 HIS CA C 13 58.764 0.078 . 1 . . . . 53 H CA . 17244 1
460 . 1 1 53 53 HIS CB C 13 31.792 0.076 . 1 . . . . 53 H CB . 17244 1
461 . 1 1 53 53 HIS N N 15 119.567 0.12 . 1 . . . . 53 H N . 17244 1
462 . 1 1 54 54 GLN H H 1 8.681 0.013 . 1 . . . . 54 Q HN . 17244 1
463 . 1 1 54 54 GLN HA H 1 3.676 0.005 . 1 . . . . 54 Q HA . 17244 1
464 . 1 1 54 54 GLN HB2 H 1 2.439 0.012 . 2 . . . . 54 Q HB2 . 17244 1
465 . 1 1 54 54 GLN HB3 H 1 2.231 0.017 . 2 . . . . 54 Q HB3 . 17244 1
466 . 1 1 54 54 GLN HE21 H 1 7.035 0.008 . 2 . . . . 54 Q HE21 . 17244 1
467 . 1 1 54 54 GLN HE22 H 1 6.534 0.01 . 2 . . . . 54 Q HE22 . 17244 1
468 . 1 1 54 54 GLN HG2 H 1 2.521 0.007 . 2 . . . . 54 Q QG . 17244 1
469 . 1 1 54 54 GLN HG3 H 1 2.521 0.007 . 2 . . . . 54 Q QG . 17244 1
470 . 1 1 54 54 GLN CA C 13 60.579 0.096 . 1 . . . . 54 Q CA . 17244 1
471 . 1 1 54 54 GLN CB C 13 31.387 0.105 . 1 . . . . 54 Q CB . 17244 1
472 . 1 1 54 54 GLN CG C 13 36.048 0.017 . 1 . . . . 54 Q CG . 17244 1
473 . 1 1 54 54 GLN N N 15 121.462 0.016 . 1 . . . . 54 Q N . 17244 1
474 . 1 1 54 54 GLN NE2 N 15 107.118 0.001 . 1 . . . . 54 Q NE2 . 17244 1
475 . 1 1 55 55 GLU H H 1 8.985 0.007 . 1 . . . . 55 E HN . 17244 1
476 . 1 1 55 55 GLU HA H 1 4.106 0.003 . 1 . . . . 55 E HA . 17244 1
477 . 1 1 55 55 GLU HB2 H 1 1.987 0.014 . 2 . . . . 55 E HB2 . 17244 1
478 . 1 1 55 55 GLU HB3 H 1 1.827 0.013 . 2 . . . . 55 E HB3 . 17244 1
479 . 1 1 55 55 GLU HG2 H 1 2.119 0.009 . 2 . . . . 55 E QG . 17244 1
480 . 1 1 55 55 GLU HG3 H 1 2.119 0.009 . 2 . . . . 55 E QG . 17244 1
481 . 1 1 55 55 GLU CA C 13 58.774 0.068 . 1 . . . . 55 E CA . 17244 1
482 . 1 1 55 55 GLU CB C 13 29.605 0.011 . 1 . . . . 55 E CB . 17244 1
483 . 1 1 55 55 GLU CG C 13 36.55 0.016 . 1 . . . . 55 E CG . 17244 1
484 . 1 1 55 55 GLU N N 15 116.776 0.066 . 1 . . . . 55 E N . 17244 1
485 . 1 1 56 56 CYS H H 1 6.641 0.006 . 1 . . . . 56 C HN . 17244 1
486 . 1 1 56 56 CYS HA H 1 4.13 0.004 . 1 . . . . 56 C HA . 17244 1
487 . 1 1 56 56 CYS HB2 H 1 2.845 0.009 . 2 . . . . 56 C HB2 . 17244 1
488 . 1 1 56 56 CYS HB3 H 1 3.075 0.008 . 2 . . . . 56 C HB3 . 17244 1
489 . 1 1 56 56 CYS CA C 13 62.879 0.137 . 1 . . . . 56 C CA . 17244 1
490 . 1 1 56 56 CYS CB C 13 29.932 0.19 . 1 . . . . 56 C CB . 17244 1
491 . 1 1 56 56 CYS N N 15 115.959 0.134 . 1 . . . . 56 C N . 17244 1
492 . 1 1 57 57 TYR H H 1 7.818 0.007 . 1 . . . . 57 Y HN . 17244 1
493 . 1 1 57 57 TYR HA H 1 4.489 0.002 . 1 . . . . 57 Y HA . 17244 1
494 . 1 1 57 57 TYR HB2 H 1 2.693 0.011 . 2 . . . . 57 Y QB . 17244 1
495 . 1 1 57 57 TYR HB3 H 1 2.693 0.011 . 2 . . . . 57 Y QB . 17244 1
496 . 1 1 57 57 TYR CA C 13 58.068 0.084 . 1 . . . . 57 Y CA . 17244 1
497 . 1 1 57 57 TYR CB C 13 41.67 0.166 . 1 . . . . 57 Y CB . 17244 1
498 . 1 1 57 57 TYR N N 15 117.26 0.054 . 1 . . . . 57 Y N . 17244 1
499 . 1 1 58 58 GLY H H 1 7.776 0.008 . 1 . . . . 58 G HN . 17244 1
500 . 1 1 58 58 GLY HA2 H 1 4.244 0.003 . 2 . . . . 58 G QA . 17244 1
501 . 1 1 58 58 GLY HA3 H 1 4.244 0.003 . 2 . . . . 58 G QA . 17244 1
502 . 1 1 58 58 GLY CA C 13 46.79 0.043 . 1 . . . . 58 G CA . 17244 1
503 . 1 1 58 58 GLY N N 15 107.988 0.167 . 1 . . . . 58 G N . 17244 1
504 . 1 1 59 59 VAL H H 1 8.287 0.012 . 1 . . . . 59 V HN . 17244 1
505 . 1 1 59 59 VAL CA C 13 58.297 0.071 . 1 . . . . 59 V CA . 17244 1
506 . 1 1 59 59 VAL CB C 13 32.443 0.036 . 1 . . . . 59 V CB . 17244 1
507 . 1 1 59 59 VAL CG1 C 13 23.293 0.117 . 2 . . . . 59 V CG1 . 17244 1
508 . 1 1 59 59 VAL CG2 C 13 18.184 0.172 . 2 . . . . 59 V CG2 . 17244 1
509 . 1 1 59 59 VAL N N 15 122.37 0.049 . 1 . . . . 59 V N . 17244 1
510 . 1 1 60 60 PRO HA H 1 4.24 0.003 . 1 . . . . 60 P HA . 17244 1
511 . 1 1 60 60 PRO HB2 H 1 2.132 0.012 . 2 . . . . 60 P HB2 . 17244 1
512 . 1 1 60 60 PRO HB3 H 1 1.713 0.016 . 2 . . . . 60 P HB3 . 17244 1
513 . 1 1 60 60 PRO HD2 H 1 3.673 0.009 . 2 . . . . 60 P QD . 17244 1
514 . 1 1 60 60 PRO HD3 H 1 3.673 0.009 . 2 . . . . 60 P QD . 17244 1
515 . 1 1 60 60 PRO HG2 H 1 1.961 0.009 . 2 . . . . 60 P QG . 17244 1
516 . 1 1 60 60 PRO HG3 H 1 1.961 0.009 . 2 . . . . 60 P QG . 17244 1
517 . 1 1 60 60 PRO CA C 13 64.46 0.077 . 1 . . . . 60 P CA . 17244 1
518 . 1 1 60 60 PRO CB C 13 32.059 0.11 . 1 . . . . 60 P CB . 17244 1
519 . 1 1 60 60 PRO CD C 13 50.731 0.037 . 1 . . . . 60 P CD . 17244 1
520 . 1 1 60 60 PRO CG C 13 27.279 0.049 . 1 . . . . 60 P CG . 17244 1
521 . 1 1 61 61 TYR H H 1 7.116 0.007 . 1 . . . . 61 Y HN . 17244 1
522 . 1 1 61 61 TYR HA H 1 4.679 0.001 . 1 . . . . 61 Y HA . 17244 1
523 . 1 1 61 61 TYR HB2 H 1 2.942 0.008 . 2 . . . . 61 Y HB2 . 17244 1
524 . 1 1 61 61 TYR HB3 H 1 2.758 0.01 . 2 . . . . 61 Y HB3 . 17244 1
525 . 1 1 61 61 TYR CA C 13 55.425 0.087 . 1 . . . . 61 Y CA . 17244 1
526 . 1 1 61 61 TYR CB C 13 40.145 0.108 . 1 . . . . 61 Y CB . 17244 1
527 . 1 1 61 61 TYR N N 15 114.766 0.199 . 1 . . . . 61 Y N . 17244 1
528 . 1 1 62 62 ILE H H 1 8.784 0.006 . 1 . . . . 62 I HN . 17244 1
529 . 1 1 62 62 ILE HA H 1 4.035 0.004 . 1 . . . . 62 I HA . 17244 1
530 . 1 1 62 62 ILE HB H 1 1.719 0.015 . 1 . . . . 62 I HB . 17244 1
531 . 1 1 62 62 ILE CA C 13 61.526 0.075 . 1 . . . . 62 I CA . 17244 1
532 . 1 1 62 62 ILE CB C 13 37.099 0.036 . 1 . . . . 62 I CB . 17244 1
533 . 1 1 62 62 ILE CD1 C 13 12.738 0.214 . 1 . . . . 62 I CD1 . 17244 1
534 . 1 1 62 62 ILE CG1 C 13 29.813 0.043 . 1 . . . . 62 I CG1 . 17244 1
535 . 1 1 62 62 ILE CG2 C 13 17.903 0.13 . 1 . . . . 62 I CG2 . 17244 1
536 . 1 1 62 62 ILE N N 15 124.688 0.167 . 1 . . . . 62 I N . 17244 1
537 . 1 1 63 63 PRO HA H 1 4.482 0.002 . 1 . . . . 63 P HA . 17244 1
538 . 1 1 63 63 PRO HB2 H 1 1.964 0.012 . 2 . . . . 63 P HB2 . 17244 1
539 . 1 1 63 63 PRO HB3 H 1 2.345 0.011 . 2 . . . . 63 P HB3 . 17244 1
540 . 1 1 63 63 PRO HD2 H 1 3.294 0.005 . 2 . . . . 63 P HD2 . 17244 1
541 . 1 1 63 63 PRO HG2 H 1 2.194 0.008 . 2 . . . . 63 P QG . 17244 1
542 . 1 1 63 63 PRO HG3 H 1 2.194 0.008 . 2 . . . . 63 P QG . 17244 1
543 . 1 1 63 63 PRO CA C 13 62.541 0.083 . 1 . . . . 63 P CA . 17244 1
544 . 1 1 63 63 PRO CB C 13 31.912 0.167 . 1 . . . . 63 P CB . 17244 1
545 . 1 1 63 63 PRO CD C 13 50.4 0.035 . 1 . . . . 63 P CD . 17244 1
546 . 1 1 63 63 PRO CG C 13 27.863 0.047 . 1 . . . . 63 P CG . 17244 1
547 . 1 1 64 64 GLU H H 1 8.664 0.006 . 1 . . . . 64 E HN . 17244 1
548 . 1 1 64 64 GLU HA H 1 4.08 0.005 . 1 . . . . 64 E HA . 17244 1
549 . 1 1 64 64 GLU HB2 H 1 1.973 0.012 . 2 . . . . 64 E QB . 17244 1
550 . 1 1 64 64 GLU HB3 H 1 1.973 0.012 . 2 . . . . 64 E QB . 17244 1
551 . 1 1 64 64 GLU HG2 H 1 2.301 0.009 . 2 . . . . 64 E QG . 17244 1
552 . 1 1 64 64 GLU HG3 H 1 2.301 0.009 . 2 . . . . 64 E QG . 17244 1
553 . 1 1 64 64 GLU CA C 13 58.271 0.116 . 1 . . . . 64 E CA . 17244 1
554 . 1 1 64 64 GLU CB C 13 29.976 0.053 . 1 . . . . 64 E CB . 17244 1
555 . 1 1 64 64 GLU CG C 13 36.463 0.016 . 1 . . . . 64 E CG . 17244 1
556 . 1 1 64 64 GLU N N 15 120.672 0.176 . 1 . . . . 64 E N . 17244 1
557 . 1 1 65 65 GLY H H 1 8.162 0.007 . 1 . . . . 65 G HN . 17244 1
558 . 1 1 65 65 GLY HA2 H 1 4.285 0.003 . 2 . . . . 65 G HA2 . 17244 1
559 . 1 1 65 65 GLY HA3 H 1 3.675 0.004 . 2 . . . . 65 G HA3 . 17244 1
560 . 1 1 65 65 GLY CA C 13 43.861 0.076 . 1 . . . . 65 G CA . 17244 1
561 . 1 1 65 65 GLY N N 15 108.18 0.157 . 1 . . . . 65 G N . 17244 1
562 . 1 1 66 66 GLN H H 1 8.266 0.001 . 1 . . . . 66 Q HN . 17244 1
563 . 1 1 66 66 GLN HA H 1 4.348 0.002 . 1 . . . . 66 Q HA . 17244 1
564 . 1 1 66 66 GLN HB2 H 1 2.228 0.013 . 2 . . . . 66 Q HB2 . 17244 1
565 . 1 1 66 66 GLN HB3 H 1 1.913 0.015 . 2 . . . . 66 Q HB3 . 17244 1
566 . 1 1 66 66 GLN HE21 H 1 7.609 0.009 . 2 . . . . 66 Q HE21 . 17244 1
567 . 1 1 66 66 GLN HE22 H 1 6.783 0.008 . 2 . . . . 66 Q HE22 . 17244 1
568 . 1 1 66 66 GLN CA C 13 56.863 0.048 . 1 . . . . 66 Q CA . 17244 1
569 . 1 1 66 66 GLN CB C 13 30.165 0.073 . 1 . . . . 66 Q CB . 17244 1
570 . 1 1 66 66 GLN CG C 13 34.316 0.024 . 1 . . . . 66 Q CG . 17244 1
571 . 1 1 66 66 GLN N N 15 119.582 0.079 . 1 . . . . 66 Q N . 17244 1
572 . 1 1 66 66 GLN NE2 N 15 111.564 0.001 . 1 . . . . 66 Q NE2 . 17244 1
573 . 1 1 67 67 TRP H H 1 8.983 0.009 . 1 . . . . 67 W HN . 17244 1
574 . 1 1 67 67 TRP HA H 1 4.548 0.002 . 1 . . . . 67 W HA . 17244 1
575 . 1 1 67 67 TRP HB2 H 1 3.534 0.013 . 2 . . . . 67 W HB2 . 17244 1
576 . 1 1 67 67 TRP HB3 H 1 2.707 0.01 . 2 . . . . 67 W HB3 . 17244 1
577 . 1 1 67 67 TRP HE1 H 1 9.951 0.008 . 1 . . . . 67 W HE1 . 17244 1
578 . 1 1 67 67 TRP CA C 13 59.658 0.102 . 1 . . . . 67 W CA . 17244 1
579 . 1 1 67 67 TRP CB C 13 30.538 0.175 . 1 . . . . 67 W CB . 17244 1
580 . 1 1 67 67 TRP N N 15 124.059 0.041 . 1 . . . . 67 W N . 17244 1
581 . 1 1 67 67 TRP NE1 N 15 129.82 0.059 . 1 . . . . 67 W NE1 . 17244 1
582 . 1 1 68 68 LEU H H 1 6.675 0.006 . 1 . . . . 68 L HN . 17244 1
583 . 1 1 68 68 LEU HA H 1 5.141 0.003 . 1 . . . . 68 L HA . 17244 1
584 . 1 1 68 68 LEU HB2 H 1 1.227 0.018 . 2 . . . . 68 L HB2 . 17244 1
585 . 1 1 68 68 LEU HB3 H 1 1.002 0.021 . 2 . . . . 68 L HB3 . 17244 1
586 . 1 1 68 68 LEU HD11 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1
587 . 1 1 68 68 LEU HD12 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1
588 . 1 1 68 68 LEU HD13 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1
589 . 1 1 68 68 LEU HD21 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1
590 . 1 1 68 68 LEU HD22 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1
591 . 1 1 68 68 LEU HD23 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1
592 . 1 1 68 68 LEU HG H 1 1.395 0.017 . 1 . . . . 68 L HG . 17244 1
593 . 1 1 68 68 LEU CA C 13 51.957 0.216 . 1 . . . . 68 L CA . 17244 1
594 . 1 1 68 68 LEU CB C 13 45.526 0.123 . 1 . . . . 68 L CB . 17244 1
595 . 1 1 68 68 LEU CD1 C 13 25.456 0.056 . 2 . . . . 68 L CD1 . 17244 1
596 . 1 1 68 68 LEU CD2 C 13 28.427 0.045 . 2 . . . . 68 L CD2 . 17244 1
597 . 1 1 68 68 LEU N N 15 125.701 0.228 . 1 . . . . 68 L N . 17244 1
598 . 1 1 69 69 CYS H H 1 8.704 0.009 . 1 . . . . 69 C HN . 17244 1
599 . 1 1 69 69 CYS HA H 1 3.845 0.005 . 1 . . . . 69 C HA . 17244 1
600 . 1 1 69 69 CYS HB2 H 1 3.347 0.008 . 2 . . . . 69 C HB2 . 17244 1
601 . 1 1 69 69 CYS HB3 H 1 2.29 0.013 . 2 . . . . 69 C HB3 . 17244 1
602 . 1 1 69 69 CYS CA C 13 57.633 0.073 . 1 . . . . 69 C CA . 17244 1
603 . 1 1 69 69 CYS CB C 13 30.702 0.102 . 1 . . . . 69 C CB . 17244 1
604 . 1 1 69 69 CYS N N 15 122.133 0.062 . 1 . . . . 69 C N . 17244 1
605 . 1 1 70 70 ARG H H 1 8.494 0.011 . 1 . . . . 70 R HN . 17244 1
606 . 1 1 70 70 ARG HA H 1 3.851 0.005 . 1 . . . . 70 R HA . 17244 1
607 . 1 1 70 70 ARG HB2 H 1 1.773 0.016 . 2 . . . . 70 R QB . 17244 1
608 . 1 1 70 70 ARG HB3 H 1 1.773 0.016 . 2 . . . . 70 R QB . 17244 1
609 . 1 1 70 70 ARG HD2 H 1 3.208 0.006 . 2 . . . . 70 R HD2 . 17244 1
610 . 1 1 70 70 ARG HD3 H 1 3.021 0.006 . 2 . . . . 70 R HD3 . 17244 1
611 . 1 1 70 70 ARG HG2 H 1 1.796 0.01 . 2 . . . . 70 R QG . 17244 1
612 . 1 1 70 70 ARG HG3 H 1 1.796 0.01 . 2 . . . . 70 R QG . 17244 1
613 . 1 1 70 70 ARG CA C 13 60.077 0.097 . 1 . . . . 70 R CA . 17244 1
614 . 1 1 70 70 ARG CB C 13 30.491 0.016 . 1 . . . . 70 R CB . 17244 1
615 . 1 1 70 70 ARG CD C 13 43.446 0.01 . 1 . . . . 70 R CD . 17244 1
616 . 1 1 70 70 ARG CG C 13 30.098 0.039 . 1 . . . . 70 R CG . 17244 1
617 . 1 1 70 70 ARG N N 15 115.453 0.036 . 1 . . . . 70 R N . 17244 1
618 . 1 1 71 71 HIS H H 1 7.947 0.013 . 1 . . . . 71 H HN . 17244 1
619 . 1 1 71 71 HIS HA H 1 4.37 0.003 . 1 . . . . 71 H HA . 17244 1
620 . 1 1 71 71 HIS HB2 H 1 3.306 0.007 . 2 . . . . 71 H QB . 17244 1
621 . 1 1 71 71 HIS HB3 H 1 3.306 0.007 . 2 . . . . 71 H QB . 17244 1
622 . 1 1 71 71 HIS CA C 13 59.549 0.152 . 1 . . . . 71 H CA . 17244 1
623 . 1 1 71 71 HIS CB C 13 29.93 0.121 . 1 . . . . 71 H CB . 17244 1
624 . 1 1 71 71 HIS N N 15 118.765 0.085 . 1 . . . . 71 H N . 17244 1
625 . 1 1 72 72 CYS H H 1 8.732 0.01 . 1 . . . . 72 C HN . 17244 1
626 . 1 1 72 72 CYS HA H 1 3.767 0.005 . 1 . . . . 72 C HA . 17244 1
627 . 1 1 72 72 CYS HB2 H 1 3.005 0.009 . 2 . . . . 72 C HB2 . 17244 1
628 . 1 1 72 72 CYS HB3 H 1 2.603 0.012 . 2 . . . . 72 C HB3 . 17244 1
629 . 1 1 72 72 CYS CA C 13 65.113 0.071 . 1 . . . . 72 C CA . 17244 1
630 . 1 1 72 72 CYS CB C 13 29.289 0.068 . 1 . . . . 72 C CB . 17244 1
631 . 1 1 72 72 CYS N N 15 126.541 0.158 . 1 . . . . 72 C N . 17244 1
632 . 1 1 73 73 LEU H H 1 8.309 0.011 . 1 . . . . 73 L HN . 17244 1
633 . 1 1 73 73 LEU HA H 1 3.833 0.006 . 1 . . . . 73 L HA . 17244 1
634 . 1 1 73 73 LEU HB2 H 1 1.554 0.016 . 2 . . . . 73 L HB2 . 17244 1
635 . 1 1 73 73 LEU HB3 H 1 1.421 0.016 . 2 . . . . 73 L HB3 . 17244 1
636 . 1 1 73 73 LEU HD11 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
637 . 1 1 73 73 LEU HD12 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
638 . 1 1 73 73 LEU HD13 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
639 . 1 1 73 73 LEU HD21 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
640 . 1 1 73 73 LEU HD22 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
641 . 1 1 73 73 LEU HD23 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1
642 . 1 1 73 73 LEU HG H 1 1.448 0.011 . 1 . . . . 73 L HG . 17244 1
643 . 1 1 73 73 LEU CA C 13 57.622 0.102 . 1 . . . . 73 L CA . 17244 1
644 . 1 1 73 73 LEU CB C 13 42.193 0.163 . 1 . . . . 73 L CB . 17244 1
645 . 1 1 73 73 LEU CD1 C 13 24.698 0.06 . 2 . . . . 73 L CD1 . 17244 1
646 . 1 1 73 73 LEU N N 15 119.954 0.01 . 1 . . . . 73 L N . 17244 1
647 . 1 1 74 74 GLN H H 1 7.447 0.006 . 1 . . . . 74 Q HN . 17244 1
648 . 1 1 74 74 GLN HA H 1 4.103 0.004 . 1 . . . . 74 Q HA . 17244 1
649 . 1 1 74 74 GLN HB2 H 1 2.074 0.012 . 2 . . . . 74 Q QB . 17244 1
650 . 1 1 74 74 GLN HB3 H 1 2.074 0.012 . 2 . . . . 74 Q QB . 17244 1
651 . 1 1 74 74 GLN HE21 H 1 6.849 0.007 . 2 . . . . 74 Q HE21 . 17244 1
652 . 1 1 74 74 GLN HE22 H 1 7.558 0.006 . 2 . . . . 74 Q HE22 . 17244 1
653 . 1 1 74 74 GLN HG2 H 1 2.404 0.009 . 2 . . . . 74 Q QG . 17244 1
654 . 1 1 74 74 GLN HG3 H 1 2.404 0.009 . 2 . . . . 74 Q QG . 17244 1
655 . 1 1 74 74 GLN CA C 13 57.383 0.105 . 1 . . . . 74 Q CA . 17244 1
656 . 1 1 74 74 GLN CB C 13 28.582 0.088 . 1 . . . . 74 Q CB . 17244 1
657 . 1 1 74 74 GLN CG C 13 34.096 0.024 . 1 . . . . 74 Q CG . 17244 1
658 . 1 1 74 74 GLN N N 15 116.793 0.09 . 1 . . . . 74 Q N . 17244 1
659 . 1 1 74 74 GLN NE2 N 15 113.234 0.019 . 1 . . . . 74 Q NE2 . 17244 1
660 . 1 1 75 75 SER H H 1 7.717 0.005 . 1 . . . . 75 S HN . 17244 1
661 . 1 1 75 75 SER HA H 1 4.3 0.002 . 1 . . . . 75 S HA . 17244 1
662 . 1 1 75 75 SER HB2 H 1 3.802 0.005 . 2 . . . . 75 S QB . 17244 1
663 . 1 1 75 75 SER HB3 H 1 3.802 0.005 . 2 . . . . 75 S QB . 17244 1
664 . 1 1 75 75 SER CA C 13 59.598 0.156 . 1 . . . . 75 S CA . 17244 1
665 . 1 1 75 75 SER CB C 13 63.228 0.135 . 1 . . . . 75 S CB . 17244 1
666 . 1 1 75 75 SER N N 15 114.67 0.192 . 1 . . . . 75 S N . 17244 1
667 . 1 1 76 76 ARG H H 1 7.725 0.006 . 1 . . . . 76 R HN . 17244 1
668 . 1 1 76 76 ARG HA H 1 4.208 0.003 . 1 . . . . 76 R HA . 17244 1
669 . 1 1 76 76 ARG HB2 H 1 1.804 0.013 . 2 . . . . 76 R HB2 . 17244 1
670 . 1 1 76 76 ARG HB3 H 1 1.723 0.015 . 2 . . . . 76 R HB3 . 17244 1
671 . 1 1 76 76 ARG HD2 H 1 3.077 0.005 . 2 . . . . 76 R QD . 17244 1
672 . 1 1 76 76 ARG HD3 H 1 3.077 0.005 . 2 . . . . 76 R QD . 17244 1
673 . 1 1 76 76 ARG HG2 H 1 1.617 0.01 . 2 . . . . 76 R QG . 17244 1
674 . 1 1 76 76 ARG HG3 H 1 1.617 0.01 . 2 . . . . 76 R QG . 17244 1
675 . 1 1 76 76 ARG CA C 13 56.311 0.084 . 1 . . . . 76 R CA . 17244 1
676 . 1 1 76 76 ARG CB C 13 30.537 0.099 . 1 . . . . 76 R CB . 17244 1
677 . 1 1 76 76 ARG CD C 13 43.388 0.01 . 1 . . . . 76 R CD . 17244 1
678 . 1 1 76 76 ARG CG C 13 26.832 0.052 . 1 . . . . 76 R CG . 17244 1
679 . 1 1 76 76 ARG N N 15 121.383 0.155 . 1 . . . . 76 R N . 17244 1
680 . 1 1 77 77 ALA H H 1 7.872 0.003 . 1 . . . . 77 A HN . 17244 1
681 . 1 1 77 77 ALA HA H 1 4.324 0.003 . 1 . . . . 77 A HA . 17244 1
682 . 1 1 77 77 ALA HB1 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1
683 . 1 1 77 77 ALA HB2 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1
684 . 1 1 77 77 ALA HB3 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1
685 . 1 1 77 77 ALA CA C 13 52.45 0.177 . 1 . . . . 77 A CA . 17244 1
686 . 1 1 77 77 ALA CB C 13 19.385 0.179 . 1 . . . . 77 A CB . 17244 1
687 . 1 1 77 77 ALA N N 15 123.404 0.089 . 1 . . . . 77 A N . 17244 1
688 . 1 1 78 78 ARG H H 1 8.384 0.003 . 1 . . . . 78 R HN . 17244 1
689 . 1 1 78 78 ARG CA C 13 56.031 0.000 . 1 . . . . 78 R CA . 17244 1
690 . 1 1 78 78 ARG CB C 13 30.581 0.000 . 1 . . . . 78 R CB . 17244 1
691 . 1 1 78 78 ARG N N 15 120.609 0.146 . 1 . . . . 78 R N . 17244 1
692 . 1 1 79 79 PRO HA H 1 4.342 0.002 . 1 . . . . 79 P HA . 17244 1
693 . 1 1 79 79 PRO HB2 H 1 2.243 0.011 . 2 . . . . 79 P HB2 . 17244 1
694 . 1 1 79 79 PRO HB3 H 1 1.823 0.014 . 2 . . . . 79 P HB3 . 17244 1
695 . 1 1 79 79 PRO HD2 H 1 3.742 0.003 . 2 . . . . 79 P HD2 . 17244 1
696 . 1 1 79 79 PRO HD3 H 1 3.562 0.004 . 2 . . . . 79 P HD3 . 17244 1
697 . 1 1 79 79 PRO HG2 H 1 1.938 0.009 . 2 . . . . 79 P QG . 17244 1
698 . 1 1 79 79 PRO HG3 H 1 1.938 0.009 . 2 . . . . 79 P QG . 17244 1
699 . 1 1 79 79 PRO CA C 13 63.014 0.115 . 1 . . . . 79 P CA . 17244 1
700 . 1 1 79 79 PRO CB C 13 32.115 0.118 . 1 . . . . 79 P CB . 17244 1
701 . 1 1 79 79 PRO CD C 13 50.402 0.036 . 1 . . . . 79 P CD . 17244 1
702 . 1 1 79 79 PRO CG C 13 27.668 0.048 . 1 . . . . 79 P CG . 17244 1
703 . 1 1 80 80 ALA H H 1 8.412 0.002 . 1 . . . . 80 A HN . 17244 1
704 . 1 1 80 80 ALA HA H 1 4.221 0.003 . 1 . . . . 80 A HA . 17244 1
705 . 1 1 80 80 ALA HB1 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1
706 . 1 1 80 80 ALA HB2 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1
707 . 1 1 80 80 ALA HB3 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1
708 . 1 1 80 80 ALA CA C 13 52.351 0.117 . 1 . . . . 80 A CA . 17244 1
709 . 1 1 80 80 ALA CB C 13 19.112 0.205 . 1 . . . . 80 A CB . 17244 1
710 . 1 1 80 80 ALA N N 15 124.231 0.232 . 1 . . . . 80 A N . 17244 1
711 . 1 1 81 81 LEU H H 1 8.209 0.002 . 1 . . . . 81 L HN . 17244 1
712 . 1 1 81 81 LEU CA C 13 55.065 0.000 . 1 . . . . 81 L CA . 17244 1
713 . 1 1 81 81 LEU CB C 13 42.385 0.000 . 1 . . . . 81 L CB . 17244 1
714 . 1 1 81 81 LEU N N 15 121.136 0.172 . 1 . . . . 81 L N . 17244 1
stop_
save_