Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52732
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name GB1_H6_Atg12
_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 $chem_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' . . . 52732 1
2 '2D 1H-13C HSQC' . . . 52732 1
3 '3D HNCO' . . . 52732 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 52732 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET HA H 1 4.165 0.005 . . . . . . . 1 M HA . 52732 1
2 . 1 . 1 1 1 MET HB2 H 1 2.082 0.000 . . . . . . . 1 M HB2 . 52732 1
3 . 1 . 1 1 1 MET HB3 H 1 2.210 0.000 . . . . . . . 1 M HB3 . 52732 1
4 . 1 . 1 1 1 MET C C 13 170.849 0.000 . . . . . . . 1 M C . 52732 1
5 . 1 . 1 1 1 MET CA C 13 54.855 0.002 . . . . . . . 1 M CA . 52732 1
6 . 1 . 1 1 1 MET CB C 13 32.951 0.004 . . . . . . . 1 M CB . 52732 1
7 . 1 . 1 2 2 GLU H H 1 8.329 0.000 . . . . . . . 2 E HN . 52732 1
8 . 1 . 1 2 2 GLU HA H 1 4.934 0.002 . . . . . . . 2 E HA . 52732 1
9 . 1 . 1 2 2 GLU HB2 H 1 1.968 0.000 . . . . . . . 2 E QB . 52732 1
10 . 1 . 1 2 2 GLU HB3 H 1 1.968 0.000 . . . . . . . 2 E QB . 52732 1
11 . 1 . 1 2 2 GLU C C 13 175.171 0.000 . . . . . . . 2 E C . 52732 1
12 . 1 . 1 2 2 GLU CA C 13 56.510 0.005 . . . . . . . 2 E CA . 52732 1
13 . 1 . 1 2 2 GLU CB C 13 31.288 0.000 . . . . . . . 2 E CB . 52732 1
14 . 1 . 1 2 2 GLU N N 15 124.315 0.000 . . . . . . . 2 E N . 52732 1
15 . 1 . 1 3 3 TYR H H 1 9.134 0.000 . . . . . . . 3 Y HN . 52732 1
16 . 1 . 1 3 3 TYR HA H 1 5.347 0.003 . . . . . . . 3 Y HA . 52732 1
17 . 1 . 1 3 3 TYR HB2 H 1 2.764 0.000 . . . . . . . 3 Y HB2 . 52732 1
18 . 1 . 1 3 3 TYR HB3 H 1 3.397 0.000 . . . . . . . 3 Y HB3 . 52732 1
19 . 1 . 1 3 3 TYR C C 13 174.822 0.000 . . . . . . . 3 Y C . 52732 1
20 . 1 . 1 3 3 TYR CA C 13 57.310 0.009 . . . . . . . 3 Y CA . 52732 1
21 . 1 . 1 3 3 TYR CB C 13 43.502 0.005 . . . . . . . 3 Y CB . 52732 1
22 . 1 . 1 3 3 TYR N N 15 125.140 0.000 . . . . . . . 3 Y N . 52732 1
23 . 1 . 1 4 4 LYS H H 1 9.066 0.000 . . . . . . . 4 K HN . 52732 1
24 . 1 . 1 4 4 LYS HA H 1 5.236 0.004 . . . . . . . 4 K HA . 52732 1
25 . 1 . 1 4 4 LYS HB2 H 1 1.938 0.000 . . . . . . . 4 K HB2 . 52732 1
26 . 1 . 1 4 4 LYS HB3 H 1 2.021 0.000 . . . . . . . 4 K HB3 . 52732 1
27 . 1 . 1 4 4 LYS C C 13 173.088 0.000 . . . . . . . 4 K C . 52732 1
28 . 1 . 1 4 4 LYS CA C 13 55.234 0.004 . . . . . . . 4 K CA . 52732 1
29 . 1 . 1 4 4 LYS CB C 13 35.927 0.000 . . . . . . . 4 K CB . 52732 1
30 . 1 . 1 4 4 LYS N N 15 121.947 0.000 . . . . . . . 4 K N . 52732 1
31 . 1 . 1 5 5 LEU H H 1 8.634 0.000 . . . . . . . 5 L HN . 52732 1
32 . 1 . 1 5 5 LEU HA H 1 4.955 0.004 . . . . . . . 5 L HA . 52732 1
33 . 1 . 1 5 5 LEU HB2 H 1 -1.133 0.000 . . . . . . . 5 L HB2 . 52732 1
34 . 1 . 1 5 5 LEU HB3 H 1 0.758 0.005 . . . . . . . 5 L HB3 . 52732 1
35 . 1 . 1 5 5 LEU C C 13 174.687 0.000 . . . . . . . 5 L C . 52732 1
36 . 1 . 1 5 5 LEU CA C 13 52.819 0.003 . . . . . . . 5 L CA . 52732 1
37 . 1 . 1 5 5 LEU CB C 13 42.774 0.014 . . . . . . . 5 L CB . 52732 1
38 . 1 . 1 5 5 LEU N N 15 126.191 0.000 . . . . . . . 5 L N . 52732 1
39 . 1 . 1 6 6 ILE H H 1 9.058 0.000 . . . . . . . 6 I HN . 52732 1
40 . 1 . 1 6 6 ILE HA H 1 4.341 0.003 . . . . . . . 6 I HA . 52732 1
41 . 1 . 1 6 6 ILE HB H 1 1.941 0.000 . . . . . . . 6 I HB . 52732 1
42 . 1 . 1 6 6 ILE C C 13 174.736 0.000 . . . . . . . 6 I C . 52732 1
43 . 1 . 1 6 6 ILE CA C 13 60.315 0.000 . . . . . . . 6 I CA . 52732 1
44 . 1 . 1 6 6 ILE CB C 13 38.330 0.000 . . . . . . . 6 I CB . 52732 1
45 . 1 . 1 6 6 ILE N N 15 126.298 0.000 . . . . . . . 6 I N . 52732 1
46 . 1 . 1 7 7 LEU H H 1 8.702 0.000 . . . . . . . 7 L HN . 52732 1
47 . 1 . 1 7 7 LEU HA H 1 4.505 0.001 . . . . . . . 7 L HA . 52732 1
48 . 1 . 1 7 7 LEU HB2 H 1 1.343 0.000 . . . . . . . 7 L HB2 . 52732 1
49 . 1 . 1 7 7 LEU HB3 H 1 1.433 0.000 . . . . . . . 7 L HB3 . 52732 1
50 . 1 . 1 7 7 LEU C C 13 175.040 0.000 . . . . . . . 7 L C . 52732 1
51 . 1 . 1 7 7 LEU CA C 13 54.467 0.006 . . . . . . . 7 L CA . 52732 1
52 . 1 . 1 7 7 LEU CB C 13 42.426 0.002 . . . . . . . 7 L CB . 52732 1
53 . 1 . 1 7 7 LEU N N 15 125.738 0.000 . . . . . . . 7 L N . 52732 1
54 . 1 . 1 8 8 ASN H H 1 8.819 0.000 . . . . . . . 8 N HN . 52732 1
55 . 1 . 1 8 8 ASN HA H 1 5.204 0.003 . . . . . . . 8 N HA . 52732 1
56 . 1 . 1 8 8 ASN HB2 H 1 2.512 0.000 . . . . . . . 8 N HB2 . 52732 1
57 . 1 . 1 8 8 ASN HB3 H 1 2.898 0.000 . . . . . . . 8 N HB3 . 52732 1
58 . 1 . 1 8 8 ASN C C 13 175.239 0.000 . . . . . . . 8 N C . 52732 1
59 . 1 . 1 8 8 ASN CA C 13 51.339 0.002 . . . . . . . 8 N CA . 52732 1
60 . 1 . 1 8 8 ASN CB C 13 38.437 0.001 . . . . . . . 8 N CB . 52732 1
61 . 1 . 1 8 8 ASN N N 15 125.188 0.000 . . . . . . . 8 N N . 52732 1
62 . 1 . 1 9 9 GLY H H 1 7.910 0.000 . . . . . . . 9 G HN . 52732 1
63 . 1 . 1 9 9 GLY HA2 H 1 4.012 0.000 . . . . . . . 9 G HA1 . 52732 1
64 . 1 . 1 9 9 GLY HA3 H 1 4.404 0.000 . . . . . . . 9 G HA2 . 52732 1
65 . 1 . 1 9 9 GLY C C 13 173.361 0.000 . . . . . . . 9 G C . 52732 1
66 . 1 . 1 9 9 GLY CA C 13 44.753 0.008 . . . . . . . 9 G CA . 52732 1
67 . 1 . 1 9 9 GLY N N 15 109.856 0.000 . . . . . . . 9 G N . 52732 1
68 . 1 . 1 10 10 LYS H H 1 9.184 0.000 . . . . . . . 10 K HN . 52732 1
69 . 1 . 1 10 10 LYS HA H 1 4.032 0.002 . . . . . . . 10 K HA . 52732 1
70 . 1 . 1 10 10 LYS HB2 H 1 1.784 0.000 . . . . . . . 10 K QB . 52732 1
71 . 1 . 1 10 10 LYS HB3 H 1 1.784 0.000 . . . . . . . 10 K QB . 52732 1
72 . 1 . 1 10 10 LYS C C 13 178.659 0.000 . . . . . . . 10 K C . 52732 1
73 . 1 . 1 10 10 LYS CA C 13 59.061 0.009 . . . . . . . 10 K CA . 52732 1
74 . 1 . 1 10 10 LYS CB C 13 32.607 0.000 . . . . . . . 10 K CB . 52732 1
75 . 1 . 1 10 10 LYS N N 15 121.081 0.000 . . . . . . . 10 K N . 52732 1
76 . 1 . 1 11 11 THR H H 1 8.824 0.000 . . . . . . . 11 T HN . 52732 1
77 . 1 . 1 11 11 THR HA H 1 4.361 0.000 . . . . . . . 11 T HA . 52732 1
78 . 1 . 1 11 11 THR HB H 1 4.238 0.000 . . . . . . . 11 T HB . 52732 1
79 . 1 . 1 11 11 THR C C 13 173.883 0.000 . . . . . . . 11 T C . 52732 1
80 . 1 . 1 11 11 THR CA C 13 62.208 0.008 . . . . . . . 11 T CA . 52732 1
81 . 1 . 1 11 11 THR CB C 13 69.705 0.000 . . . . . . . 11 T CB . 52732 1
82 . 1 . 1 11 11 THR N N 15 109.256 0.000 . . . . . . . 11 T N . 52732 1
83 . 1 . 1 12 12 LEU H H 1 7.321 0.000 . . . . . . . 12 L HN . 52732 1
84 . 1 . 1 12 12 LEU HA H 1 4.446 0.003 . . . . . . . 12 L HA . 52732 1
85 . 1 . 1 12 12 LEU HB2 H 1 1.419 0.000 . . . . . . . 12 L HB2 . 52732 1
86 . 1 . 1 12 12 LEU HB3 H 1 1.507 0.000 . . . . . . . 12 L HB3 . 52732 1
87 . 1 . 1 12 12 LEU C C 13 173.510 0.000 . . . . . . . 12 L C . 52732 1
88 . 1 . 1 12 12 LEU CA C 13 55.232 0.006 . . . . . . . 12 L CA . 52732 1
89 . 1 . 1 12 12 LEU CB C 13 43.726 0.003 . . . . . . . 12 L CB . 52732 1
90 . 1 . 1 12 12 LEU N N 15 124.700 0.000 . . . . . . . 12 L N . 52732 1
91 . 1 . 1 13 13 LYS H H 1 8.114 0.000 . . . . . . . 13 K HN . 52732 1
92 . 1 . 1 13 13 LYS HA H 1 5.082 0.004 . . . . . . . 13 K HA . 52732 1
93 . 1 . 1 13 13 LYS HB2 H 1 1.729 0.000 . . . . . . . 13 K HB2 . 52732 1
94 . 1 . 1 13 13 LYS HB3 H 1 1.879 0.000 . . . . . . . 13 K HB3 . 52732 1
95 . 1 . 1 13 13 LYS C C 13 176.271 0.000 . . . . . . . 13 K C . 52732 1
96 . 1 . 1 13 13 LYS CA C 13 54.139 0.008 . . . . . . . 13 K CA . 52732 1
97 . 1 . 1 13 13 LYS CB C 13 34.906 0.004 . . . . . . . 13 K CB . 52732 1
98 . 1 . 1 13 13 LYS N N 15 123.789 0.000 . . . . . . . 13 K N . 52732 1
99 . 1 . 1 14 14 GLY H H 1 8.400 0.000 . . . . . . . 14 G HN . 52732 1
100 . 1 . 1 14 14 GLY HA2 H 1 4.149 0.005 . . . . . . . 14 G HA1 . 52732 1
101 . 1 . 1 14 14 GLY HA3 H 1 4.249 0.002 . . . . . . . 14 G HA2 . 52732 1
102 . 1 . 1 14 14 GLY C C 13 171.303 0.000 . . . . . . . 14 G C . 52732 1
103 . 1 . 1 14 14 GLY CA C 13 45.231 0.009 . . . . . . . 14 G CA . 52732 1
104 . 1 . 1 14 14 GLY N N 15 109.657 0.000 . . . . . . . 14 G N . 52732 1
105 . 1 . 1 15 15 GLU H H 1 8.362 0.000 . . . . . . . 15 E HN . 52732 1
106 . 1 . 1 15 15 GLU HA H 1 5.595 0.004 . . . . . . . 15 E HA . 52732 1
107 . 1 . 1 15 15 GLU HB2 H 1 1.920 0.000 . . . . . . . 15 E HB2 . 52732 1
108 . 1 . 1 15 15 GLU HB3 H 1 2.016 0.000 . . . . . . . 15 E HB3 . 52732 1
109 . 1 . 1 15 15 GLU C C 13 175.328 0.000 . . . . . . . 15 E C . 52732 1
110 . 1 . 1 15 15 GLU CA C 13 54.718 0.008 . . . . . . . 15 E CA . 52732 1
111 . 1 . 1 15 15 GLU CB C 13 33.841 0.002 . . . . . . . 15 E CB . 52732 1
112 . 1 . 1 15 15 GLU N N 15 118.728 0.000 . . . . . . . 15 E N . 52732 1
113 . 1 . 1 16 16 THR H H 1 8.778 0.000 . . . . . . . 16 T HN . 52732 1
114 . 1 . 1 16 16 THR HA H 1 4.743 0.010 . . . . . . . 16 T HA . 52732 1
115 . 1 . 1 16 16 THR HB H 1 3.914 0.000 . . . . . . . 16 T HB . 52732 1
116 . 1 . 1 16 16 THR C C 13 172.049 0.000 . . . . . . . 16 T C . 52732 1
117 . 1 . 1 16 16 THR CA C 13 60.657 0.009 . . . . . . . 16 T CA . 52732 1
118 . 1 . 1 16 16 THR CB C 13 69.587 0.000 . . . . . . . 16 T CB . 52732 1
119 . 1 . 1 16 16 THR N N 15 116.171 0.000 . . . . . . . 16 T N . 52732 1
120 . 1 . 1 17 17 THR H H 1 8.080 0.000 . . . . . . . 17 T HN . 52732 1
121 . 1 . 1 17 17 THR HA H 1 5.837 0.004 . . . . . . . 17 T HA . 52732 1
122 . 1 . 1 17 17 THR HB H 1 4.339 0.000 . . . . . . . 17 T HB . 52732 1
123 . 1 . 1 17 17 THR C C 13 174.242 0.000 . . . . . . . 17 T C . 52732 1
124 . 1 . 1 17 17 THR CA C 13 59.925 0.007 . . . . . . . 17 T CA . 52732 1
125 . 1 . 1 17 17 THR CB C 13 73.273 0.000 . . . . . . . 17 T CB . 52732 1
126 . 1 . 1 17 17 THR N N 15 112.144 0.000 . . . . . . . 17 T N . 52732 1
127 . 1 . 1 18 18 THR H H 1 9.040 0.000 . . . . . . . 18 T HN . 52732 1
128 . 1 . 1 18 18 THR HA H 1 4.667 0.002 . . . . . . . 18 T HA . 52732 1
129 . 1 . 1 18 18 THR HB H 1 3.854 0.000 . . . . . . . 18 T HB . 52732 1
130 . 1 . 1 18 18 THR C C 13 170.695 0.000 . . . . . . . 18 T C . 52732 1
131 . 1 . 1 18 18 THR CA C 13 62.457 0.013 . . . . . . . 18 T CA . 52732 1
132 . 1 . 1 18 18 THR CB C 13 70.252 0.000 . . . . . . . 18 T CB . 52732 1
133 . 1 . 1 18 18 THR N N 15 114.760 0.000 . . . . . . . 18 T N . 52732 1
134 . 1 . 1 19 19 GLU H H 1 7.960 0.000 . . . . . . . 19 E HN . 52732 1
135 . 1 . 1 19 19 GLU HA H 1 5.180 0.002 . . . . . . . 19 E HA . 52732 1
136 . 1 . 1 19 19 GLU HB2 H 1 1.950 0.000 . . . . . . . 19 E QB . 52732 1
137 . 1 . 1 19 19 GLU HB3 H 1 1.950 0.000 . . . . . . . 19 E QB . 52732 1
138 . 1 . 1 19 19 GLU C C 13 175.927 0.000 . . . . . . . 19 E C . 52732 1
139 . 1 . 1 19 19 GLU CA C 13 54.698 0.003 . . . . . . . 19 E CA . 52732 1
140 . 1 . 1 19 19 GLU CB C 13 30.518 0.000 . . . . . . . 19 E CB . 52732 1
141 . 1 . 1 19 19 GLU N N 15 126.425 0.000 . . . . . . . 19 E N . 52732 1
142 . 1 . 1 20 20 ALA H H 1 9.297 0.000 . . . . . . . 20 A HN . 52732 1
143 . 1 . 1 20 20 ALA HA H 1 4.913 0.013 . . . . . . . 20 A HA . 52732 1
144 . 1 . 1 20 20 ALA HB1 H 1 1.335 0.000 . . . . . . . 20 A HB# . 52732 1
145 . 1 . 1 20 20 ALA HB2 H 1 1.335 0.000 . . . . . . . 20 A HB# . 52732 1
146 . 1 . 1 20 20 ALA HB3 H 1 1.335 0.000 . . . . . . . 20 A HB# . 52732 1
147 . 1 . 1 20 20 ALA C C 13 177.629 0.000 . . . . . . . 20 A C . 52732 1
148 . 1 . 1 20 20 ALA CA C 13 50.890 0.007 . . . . . . . 20 A CA . 52732 1
149 . 1 . 1 20 20 ALA CB C 13 23.770 0.000 . . . . . . . 20 A CB . 52732 1
150 . 1 . 1 20 20 ALA N N 15 127.525 0.000 . . . . . . . 20 A N . 52732 1
151 . 1 . 1 21 21 VAL H H 1 8.467 0.000 . . . . . . . 21 V HN . 52732 1
152 . 1 . 1 21 21 VAL HA H 1 4.111 0.003 . . . . . . . 21 V HA . 52732 1
153 . 1 . 1 21 21 VAL HB H 1 2.196 0.000 . . . . . . . 21 V HB . 52732 1
154 . 1 . 1 21 21 VAL C C 13 175.110 0.000 . . . . . . . 21 V C . 52732 1
155 . 1 . 1 21 21 VAL CA C 13 63.652 0.009 . . . . . . . 21 V CA . 52732 1
156 . 1 . 1 21 21 VAL CB C 13 32.073 0.000 . . . . . . . 21 V CB . 52732 1
157 . 1 . 1 21 21 VAL N N 15 115.751 0.000 . . . . . . . 21 V N . 52732 1
158 . 1 . 1 22 22 ASP H H 1 7.335 0.000 . . . . . . . 22 D HN . 52732 1
159 . 1 . 1 22 22 ASP HA H 1 4.749 0.006 . . . . . . . 22 D HA . 52732 1
160 . 1 . 1 22 22 ASP HB2 H 1 2.990 0.000 . . . . . . . 22 D HB2 . 52732 1
161 . 1 . 1 22 22 ASP HB3 H 1 3.055 0.000 . . . . . . . 22 D HB3 . 52732 1
162 . 1 . 1 22 22 ASP C C 13 174.783 0.000 . . . . . . . 22 D C . 52732 1
163 . 1 . 1 22 22 ASP CA C 13 52.576 0.027 . . . . . . . 22 D CA . 52732 1
164 . 1 . 1 22 22 ASP CB C 13 42.252 0.004 . . . . . . . 22 D CB . 52732 1
165 . 1 . 1 22 22 ASP N N 15 115.199 0.000 . . . . . . . 22 D N . 52732 1
166 . 1 . 1 23 23 ALA H H 1 8.284 0.000 . . . . . . . 23 A HN . 52732 1
167 . 1 . 1 23 23 ALA HA H 1 3.304 0.004 . . . . . . . 23 A HA . 52732 1
168 . 1 . 1 23 23 ALA HB1 H 1 1.180 0.000 . . . . . . . 23 A HB# . 52732 1
169 . 1 . 1 23 23 ALA HB2 H 1 1.180 0.000 . . . . . . . 23 A HB# . 52732 1
170 . 1 . 1 23 23 ALA HB3 H 1 1.180 0.000 . . . . . . . 23 A HB# . 52732 1
171 . 1 . 1 23 23 ALA C C 13 179.269 0.000 . . . . . . . 23 A C . 52732 1
172 . 1 . 1 23 23 ALA CA C 13 54.663 0.007 . . . . . . . 23 A CA . 52732 1
173 . 1 . 1 23 23 ALA CB C 13 17.591 0.000 . . . . . . . 23 A CB . 52732 1
174 . 1 . 1 23 23 ALA N N 15 121.575 0.000 . . . . . . . 23 A N . 52732 1
175 . 1 . 1 24 24 ALA H H 1 8.048 0.000 . . . . . . . 24 A HN . 52732 1
176 . 1 . 1 24 24 ALA HA H 1 3.952 0.004 . . . . . . . 24 A HA . 52732 1
177 . 1 . 1 24 24 ALA HB1 H 1 1.294 0.000 . . . . . . . 24 A HB# . 52732 1
178 . 1 . 1 24 24 ALA HB2 H 1 1.294 0.000 . . . . . . . 24 A HB# . 52732 1
179 . 1 . 1 24 24 ALA HB3 H 1 1.294 0.000 . . . . . . . 24 A HB# . 52732 1
180 . 1 . 1 24 24 ALA C C 13 180.929 0.000 . . . . . . . 24 A C . 52732 1
181 . 1 . 1 24 24 ALA CA C 13 54.833 0.000 . . . . . . . 24 A CA . 52732 1
182 . 1 . 1 24 24 ALA CB C 13 17.962 0.000 . . . . . . . 24 A CB . 52732 1
183 . 1 . 1 24 24 ALA N N 15 120.540 0.000 . . . . . . . 24 A N . 52732 1
184 . 1 . 1 25 25 THR H H 1 8.288 0.000 . . . . . . . 25 T HN . 52732 1
185 . 1 . 1 25 25 THR HA H 1 3.699 0.002 . . . . . . . 25 T HA . 52732 1
186 . 1 . 1 25 25 THR HB H 1 4.029 0.000 . . . . . . . 25 T HB . 52732 1
187 . 1 . 1 25 25 THR C C 13 176.112 0.000 . . . . . . . 25 T C . 52732 1
188 . 1 . 1 25 25 THR CA C 13 66.990 0.011 . . . . . . . 25 T CA . 52732 1
189 . 1 . 1 25 25 THR CB C 13 67.954 0.000 . . . . . . . 25 T CB . 52732 1
190 . 1 . 1 25 25 THR N N 15 116.496 0.000 . . . . . . . 25 T N . 52732 1
191 . 1 . 1 26 26 ALA H H 1 7.171 0.000 . . . . . . . 26 A HN . 52732 1
192 . 1 . 1 26 26 ALA HA H 1 3.082 0.002 . . . . . . . 26 A HA . 52732 1
193 . 1 . 1 26 26 ALA HB1 H 1 0.539 0.000 . . . . . . . 26 A HB# . 52732 1
194 . 1 . 1 26 26 ALA HB2 H 1 0.539 0.000 . . . . . . . 26 A HB# . 52732 1
195 . 1 . 1 26 26 ALA HB3 H 1 0.539 0.000 . . . . . . . 26 A HB# . 52732 1
196 . 1 . 1 26 26 ALA C C 13 177.152 0.000 . . . . . . . 26 A C . 52732 1
197 . 1 . 1 26 26 ALA CA C 13 54.956 0.005 . . . . . . . 26 A CA . 52732 1
198 . 1 . 1 26 26 ALA CB C 13 17.566 0.000 . . . . . . . 26 A CB . 52732 1
199 . 1 . 1 26 26 ALA N N 15 123.763 0.000 . . . . . . . 26 A N . 52732 1
200 . 1 . 1 27 27 GLU H H 1 8.322 0.000 . . . . . . . 27 E HN . 52732 1
201 . 1 . 1 27 27 GLU HA H 1 2.640 0.004 . . . . . . . 27 E HA . 52732 1
202 . 1 . 1 27 27 GLU HB2 H 1 1.859 0.000 . . . . . . . 27 E HB2 . 52732 1
203 . 1 . 1 27 27 GLU HB3 H 1 1.943 0.000 . . . . . . . 27 E HB3 . 52732 1
204 . 1 . 1 27 27 GLU C C 13 177.376 0.000 . . . . . . . 27 E C . 52732 1
205 . 1 . 1 27 27 GLU CA C 13 59.760 0.001 . . . . . . . 27 E CA . 52732 1
206 . 1 . 1 27 27 GLU CB C 13 29.336 0.004 . . . . . . . 27 E CB . 52732 1
207 . 1 . 1 27 27 GLU N N 15 116.637 0.000 . . . . . . . 27 E N . 52732 1
208 . 1 . 1 28 28 LYS H H 1 6.964 0.000 . . . . . . . 28 K HN . 52732 1
209 . 1 . 1 28 28 LYS HA H 1 3.725 0.004 . . . . . . . 28 K HA . 52732 1
210 . 1 . 1 28 28 LYS HB2 H 1 1.839 0.000 . . . . . . . 28 K QB . 52732 1
211 . 1 . 1 28 28 LYS HB3 H 1 1.839 0.000 . . . . . . . 28 K QB . 52732 1
212 . 1 . 1 28 28 LYS C C 13 180.027 0.000 . . . . . . . 28 K C . 52732 1
213 . 1 . 1 28 28 LYS CA C 13 59.809 0.002 . . . . . . . 28 K CA . 52732 1
214 . 1 . 1 28 28 LYS CB C 13 32.318 0.000 . . . . . . . 28 K CB . 52732 1
215 . 1 . 1 28 28 LYS N N 15 116.710 0.000 . . . . . . . 28 K N . 52732 1
216 . 1 . 1 29 29 VAL H H 1 7.341 0.000 . . . . . . . 29 V HN . 52732 1
217 . 1 . 1 29 29 VAL HA H 1 3.606 0.003 . . . . . . . 29 V HA . 52732 1
218 . 1 . 1 29 29 VAL HB H 1 1.751 0.000 . . . . . . . 29 V HB . 52732 1
219 . 1 . 1 29 29 VAL C C 13 179.827 0.000 . . . . . . . 29 V C . 52732 1
220 . 1 . 1 29 29 VAL CA C 13 66.092 0.008 . . . . . . . 29 V CA . 52732 1
221 . 1 . 1 29 29 VAL CB C 13 31.767 0.000 . . . . . . . 29 V CB . 52732 1
222 . 1 . 1 29 29 VAL N N 15 120.683 0.000 . . . . . . . 29 V N . 52732 1
223 . 1 . 1 30 30 PHE H H 1 8.517 0.000 . . . . . . . 30 F HN . 52732 1
224 . 1 . 1 30 30 PHE HA H 1 4.767 0.009 . . . . . . . 30 F HA . 52732 1
225 . 1 . 1 30 30 PHE HB2 H 1 2.841 0.000 . . . . . . . 30 F HB2 . 52732 1
226 . 1 . 1 30 30 PHE HB3 H 1 3.338 0.000 . . . . . . . 30 F HB3 . 52732 1
227 . 1 . 1 30 30 PHE C C 13 178.435 0.000 . . . . . . . 30 F C . 52732 1
228 . 1 . 1 30 30 PHE CA C 13 56.620 0.058 . . . . . . . 30 F CA . 52732 1
229 . 1 . 1 30 30 PHE CB C 13 37.474 0.005 . . . . . . . 30 F CB . 52732 1
230 . 1 . 1 30 30 PHE N N 15 120.666 0.000 . . . . . . . 30 F N . 52732 1
231 . 1 . 1 31 31 LYS H H 1 9.099 0.000 . . . . . . . 31 K HN . 52732 1
232 . 1 . 1 31 31 LYS HA H 1 4.153 0.003 . . . . . . . 31 K HA . 52732 1
233 . 1 . 1 31 31 LYS HB2 H 1 1.556 0.000 . . . . . . . 31 K HB2 . 52732 1
234 . 1 . 1 31 31 LYS HB3 H 1 1.664 0.000 . . . . . . . 31 K HB3 . 52732 1
235 . 1 . 1 31 31 LYS C C 13 179.611 0.000 . . . . . . . 31 K C . 52732 1
236 . 1 . 1 31 31 LYS CA C 13 59.965 0.009 . . . . . . . 31 K CA . 52732 1
237 . 1 . 1 31 31 LYS CB C 13 31.666 0.008 . . . . . . . 31 K CB . 52732 1
238 . 1 . 1 31 31 LYS N N 15 122.790 0.000 . . . . . . . 31 K N . 52732 1
239 . 1 . 1 32 32 GLN H H 1 7.471 0.000 . . . . . . . 32 Q HN . 52732 1
240 . 1 . 1 32 32 GLN HA H 1 4.049 0.003 . . . . . . . 32 Q HA . 52732 1
241 . 1 . 1 32 32 GLN HB2 H 1 2.223 0.000 . . . . . . . 32 Q QB . 52732 1
242 . 1 . 1 32 32 GLN HB3 H 1 2.223 0.000 . . . . . . . 32 Q QB . 52732 1
243 . 1 . 1 32 32 GLN C C 13 177.148 0.000 . . . . . . . 32 Q C . 52732 1
244 . 1 . 1 32 32 GLN CA C 13 58.817 0.001 . . . . . . . 32 Q CA . 52732 1
245 . 1 . 1 32 32 GLN CB C 13 28.211 0.000 . . . . . . . 32 Q CB . 52732 1
246 . 1 . 1 32 32 GLN N N 15 119.790 0.000 . . . . . . . 32 Q N . 52732 1
247 . 1 . 1 33 33 TYR H H 1 8.246 0.000 . . . . . . . 33 Y HN . 52732 1
248 . 1 . 1 33 33 TYR HA H 1 4.272 0.006 . . . . . . . 33 Y HA . 52732 1
249 . 1 . 1 33 33 TYR HB2 H 1 3.300 0.000 . . . . . . . 33 Y QB . 52732 1
250 . 1 . 1 33 33 TYR HB3 H 1 3.300 0.000 . . . . . . . 33 Y QB . 52732 1
251 . 1 . 1 33 33 TYR C C 13 179.047 0.000 . . . . . . . 33 Y C . 52732 1
252 . 1 . 1 33 33 TYR CA C 13 61.888 0.002 . . . . . . . 33 Y CA . 52732 1
253 . 1 . 1 33 33 TYR CB C 13 38.689 0.000 . . . . . . . 33 Y CB . 52732 1
254 . 1 . 1 33 33 TYR N N 15 120.999 0.000 . . . . . . . 33 Y N . 52732 1
255 . 1 . 1 34 34 ALA H H 1 9.175 0.000 . . . . . . . 34 A HN . 52732 1
256 . 1 . 1 34 34 ALA HA H 1 3.784 0.003 . . . . . . . 34 A HA . 52732 1
257 . 1 . 1 34 34 ALA HB1 H 1 1.838 0.000 . . . . . . . 34 A HB# . 52732 1
258 . 1 . 1 34 34 ALA HB2 H 1 1.838 0.000 . . . . . . . 34 A HB# . 52732 1
259 . 1 . 1 34 34 ALA HB3 H 1 1.838 0.000 . . . . . . . 34 A HB# . 52732 1
260 . 1 . 1 34 34 ALA C C 13 179.391 0.000 . . . . . . . 34 A C . 52732 1
261 . 1 . 1 34 34 ALA CA C 13 56.320 0.002 . . . . . . . 34 A CA . 52732 1
262 . 1 . 1 34 34 ALA CB C 13 17.960 0.000 . . . . . . . 34 A CB . 52732 1
263 . 1 . 1 34 34 ALA N N 15 122.623 0.000 . . . . . . . 34 A N . 52732 1
264 . 1 . 1 35 35 ASN H H 1 8.281 0.000 . . . . . . . 35 N HN . 52732 1
265 . 1 . 1 35 35 ASN HA H 1 4.428 0.006 . . . . . . . 35 N HA . 52732 1
266 . 1 . 1 35 35 ASN HB2 H 1 2.942 0.000 . . . . . . . 35 N QB . 52732 1
267 . 1 . 1 35 35 ASN HB3 H 1 2.942 0.000 . . . . . . . 35 N QB . 52732 1
268 . 1 . 1 35 35 ASN C C 13 179.405 0.000 . . . . . . . 35 N C . 52732 1
269 . 1 . 1 35 35 ASN CA C 13 57.024 0.013 . . . . . . . 35 N CA . 52732 1
270 . 1 . 1 35 35 ASN CB C 13 38.904 0.000 . . . . . . . 35 N CB . 52732 1
271 . 1 . 1 35 35 ASN N N 15 117.727 0.000 . . . . . . . 35 N N . 52732 1
272 . 1 . 1 36 36 ASP H H 1 8.937 0.000 . . . . . . . 36 D HN . 52732 1
273 . 1 . 1 36 36 ASP HA H 1 4.359 0.010 . . . . . . . 36 D HA . 52732 1
274 . 1 . 1 36 36 ASP HB2 H 1 2.569 0.000 . . . . . . . 36 D HB2 . 52732 1
275 . 1 . 1 36 36 ASP HB3 H 1 2.729 0.000 . . . . . . . 36 D HB3 . 52732 1
276 . 1 . 1 36 36 ASP C C 13 177.163 0.000 . . . . . . . 36 D C . 52732 1
277 . 1 . 1 36 36 ASP CA C 13 57.037 0.017 . . . . . . . 36 D CA . 52732 1
278 . 1 . 1 36 36 ASP CB C 13 40.099 0.002 . . . . . . . 36 D CB . 52732 1
279 . 1 . 1 36 36 ASP N N 15 121.510 0.000 . . . . . . . 36 D N . 52732 1
280 . 1 . 1 37 37 ASN H H 1 7.380 0.000 . . . . . . . 37 N HN . 52732 1
281 . 1 . 1 37 37 ASN HA H 1 4.605 0.004 . . . . . . . 37 N HA . 52732 1
282 . 1 . 1 37 37 ASN HB2 H 1 2.094 0.000 . . . . . . . 37 N HB2 . 52732 1
283 . 1 . 1 37 37 ASN HB3 H 1 2.684 0.000 . . . . . . . 37 N HB3 . 52732 1
284 . 1 . 1 37 37 ASN C C 13 174.058 0.000 . . . . . . . 37 N C . 52732 1
285 . 1 . 1 37 37 ASN CA C 13 53.833 0.000 . . . . . . . 37 N CA . 52732 1
286 . 1 . 1 37 37 ASN CB C 13 40.127 0.002 . . . . . . . 37 N CB . 52732 1
287 . 1 . 1 37 37 ASN N N 15 115.315 0.000 . . . . . . . 37 N N . 52732 1
288 . 1 . 1 38 38 GLY H H 1 7.799 0.000 . . . . . . . 38 G HN . 52732 1
289 . 1 . 1 38 38 GLY HA2 H 1 3.914 0.002 . . . . . . . 38 G QA . 52732 1
290 . 1 . 1 38 38 GLY HA3 H 1 3.914 0.002 . . . . . . . 38 G QA . 52732 1
291 . 1 . 1 38 38 GLY C C 13 174.234 0.000 . . . . . . . 38 G C . 52732 1
292 . 1 . 1 38 38 GLY CA C 13 46.957 0.009 . . . . . . . 38 G CA . 52732 1
293 . 1 . 1 38 38 GLY N N 15 108.193 0.000 . . . . . . . 38 G N . 52732 1
294 . 1 . 1 39 39 VAL H H 1 8.135 0.000 . . . . . . . 39 V HN . 52732 1
295 . 1 . 1 39 39 VAL HA H 1 4.126 0.007 . . . . . . . 39 V HA . 52732 1
296 . 1 . 1 39 39 VAL HB H 1 1.752 0.000 . . . . . . . 39 V HB . 52732 1
297 . 1 . 1 39 39 VAL C C 13 173.808 0.000 . . . . . . . 39 V C . 52732 1
298 . 1 . 1 39 39 VAL CA C 13 62.078 0.022 . . . . . . . 39 V CA . 52732 1
299 . 1 . 1 39 39 VAL CB C 13 33.134 0.000 . . . . . . . 39 V CB . 52732 1
300 . 1 . 1 39 39 VAL N N 15 120.775 0.000 . . . . . . . 39 V N . 52732 1
301 . 1 . 1 40 40 ASP H H 1 8.516 0.000 . . . . . . . 40 D HN . 52732 1
302 . 1 . 1 40 40 ASP HA H 1 4.893 0.005 . . . . . . . 40 D HA . 52732 1
303 . 1 . 1 40 40 ASP HB2 H 1 2.600 0.000 . . . . . . . 40 D HB2 . 52732 1
304 . 1 . 1 40 40 ASP HB3 H 1 2.712 0.000 . . . . . . . 40 D HB3 . 52732 1
305 . 1 . 1 40 40 ASP C C 13 174.733 0.000 . . . . . . . 40 D C . 52732 1
306 . 1 . 1 40 40 ASP CA C 13 52.558 0.015 . . . . . . . 40 D CA . 52732 1
307 . 1 . 1 40 40 ASP CB C 13 43.207 0.000 . . . . . . . 40 D CB . 52732 1
308 . 1 . 1 40 40 ASP N N 15 127.710 0.000 . . . . . . . 40 D N . 52732 1
309 . 1 . 1 41 41 GLY H H 1 7.908 0.000 . . . . . . . 41 G HN . 52732 1
310 . 1 . 1 41 41 GLY HA2 H 1 3.571 0.005 . . . . . . . 41 G HA1 . 52732 1
311 . 1 . 1 41 41 GLY HA3 H 1 3.829 0.008 . . . . . . . 41 G HA2 . 52732 1
312 . 1 . 1 41 41 GLY C C 13 171.560 0.000 . . . . . . . 41 G C . 52732 1
313 . 1 . 1 41 41 GLY CA C 13 45.423 0.011 . . . . . . . 41 G CA . 52732 1
314 . 1 . 1 41 41 GLY N N 15 107.929 0.000 . . . . . . . 41 G N . 52732 1
315 . 1 . 1 42 42 GLU H H 1 8.127 0.000 . . . . . . . 42 E HN . 52732 1
316 . 1 . 1 42 42 GLU HA H 1 4.713 0.003 . . . . . . . 42 E HA . 52732 1
317 . 1 . 1 42 42 GLU HB2 H 1 1.984 0.000 . . . . . . . 42 E HB2 . 52732 1
318 . 1 . 1 42 42 GLU HB3 H 1 2.090 0.000 . . . . . . . 42 E HB3 . 52732 1
319 . 1 . 1 42 42 GLU C C 13 176.828 0.000 . . . . . . . 42 E C . 52732 1
320 . 1 . 1 42 42 GLU CA C 13 55.486 0.023 . . . . . . . 42 E CA . 52732 1
321 . 1 . 1 42 42 GLU CB C 13 31.696 0.003 . . . . . . . 42 E CB . 52732 1
322 . 1 . 1 42 42 GLU N N 15 120.591 0.000 . . . . . . . 42 E N . 52732 1
323 . 1 . 1 43 43 TRP H H 1 9.332 0.000 . . . . . . . 43 W HN . 52732 1
324 . 1 . 1 43 43 TRP HA H 1 5.350 0.004 . . . . . . . 43 W HA . 52732 1
325 . 1 . 1 43 43 TRP HB2 H 1 3.154 0.000 . . . . . . . 43 W HB2 . 52732 1
326 . 1 . 1 43 43 TRP HB3 H 1 3.368 0.000 . . . . . . . 43 W HB3 . 52732 1
327 . 1 . 1 43 43 TRP HE1 H 1 10.496 0.000 . . . . . . . 43 W HE1 . 52732 1
328 . 1 . 1 43 43 TRP C C 13 177.022 0.000 . . . . . . . 43 W C . 52732 1
329 . 1 . 1 43 43 TRP CA C 13 57.929 0.007 . . . . . . . 43 W CA . 52732 1
330 . 1 . 1 43 43 TRP CB C 13 30.619 0.000 . . . . . . . 43 W CB . 52732 1
331 . 1 . 1 43 43 TRP N N 15 128.544 0.000 . . . . . . . 43 W N . 52732 1
332 . 1 . 1 43 43 TRP NE1 N 15 130.662 0.000 . . . . . . . 43 W NE1 . 52732 1
333 . 1 . 1 44 44 THR H H 1 9.260 0.000 . . . . . . . 44 T HN . 52732 1
334 . 1 . 1 44 44 THR HA H 1 4.852 0.004 . . . . . . . 44 T HA . 52732 1
335 . 1 . 1 44 44 THR HB H 1 4.245 0.000 . . . . . . . 44 T HB . 52732 1
336 . 1 . 1 44 44 THR C C 13 172.729 0.000 . . . . . . . 44 T C . 52732 1
337 . 1 . 1 44 44 THR CA C 13 60.636 0.009 . . . . . . . 44 T CA . 52732 1
338 . 1 . 1 44 44 THR CB C 13 72.317 0.000 . . . . . . . 44 T CB . 52732 1
339 . 1 . 1 44 44 THR N N 15 114.640 0.000 . . . . . . . 44 T N . 52732 1
340 . 1 . 1 45 45 TYR H H 1 8.582 0.000 . . . . . . . 45 Y HN . 52732 1
341 . 1 . 1 45 45 TYR HA H 1 4.976 0.003 . . . . . . . 45 Y HA . 52732 1
342 . 1 . 1 45 45 TYR HB2 H 1 2.501 0.000 . . . . . . . 45 Y HB2 . 52732 1
343 . 1 . 1 45 45 TYR HB3 H 1 2.874 0.000 . . . . . . . 45 Y HB3 . 52732 1
344 . 1 . 1 45 45 TYR C C 13 173.210 0.000 . . . . . . . 45 Y C . 52732 1
345 . 1 . 1 45 45 TYR CA C 13 57.022 0.002 . . . . . . . 45 Y CA . 52732 1
346 . 1 . 1 45 45 TYR CB C 13 41.567 0.001 . . . . . . . 45 Y CB . 52732 1
347 . 1 . 1 45 45 TYR N N 15 120.819 0.000 . . . . . . . 45 Y N . 52732 1
348 . 1 . 1 46 46 ASP H H 1 7.620 0.000 . . . . . . . 46 D HN . 52732 1
349 . 1 . 1 46 46 ASP HA H 1 4.598 0.002 . . . . . . . 46 D HA . 52732 1
350 . 1 . 1 46 46 ASP HB2 H 1 2.268 0.000 . . . . . . . 46 D HB2 . 52732 1
351 . 1 . 1 46 46 ASP HB3 H 1 2.614 0.000 . . . . . . . 46 D HB3 . 52732 1
352 . 1 . 1 46 46 ASP C C 13 174.628 0.000 . . . . . . . 46 D C . 52732 1
353 . 1 . 1 46 46 ASP CA C 13 51.890 0.005 . . . . . . . 46 D CA . 52732 1
354 . 1 . 1 46 46 ASP CB C 13 43.114 0.002 . . . . . . . 46 D CB . 52732 1
355 . 1 . 1 46 46 ASP N N 15 128.513 0.000 . . . . . . . 46 D N . 52732 1
356 . 1 . 1 47 47 ASP H H 1 8.563 0.000 . . . . . . . 47 D HN . 52732 1
357 . 1 . 1 47 47 ASP HA H 1 4.135 0.009 . . . . . . . 47 D HA . 52732 1
358 . 1 . 1 47 47 ASP HB2 H 1 2.539 0.000 . . . . . . . 47 D HB2 . 52732 1
359 . 1 . 1 47 47 ASP HB3 H 1 2.834 0.000 . . . . . . . 47 D HB3 . 52732 1
360 . 1 . 1 47 47 ASP C C 13 178.085 0.000 . . . . . . . 47 D C . 52732 1
361 . 1 . 1 47 47 ASP CA C 13 56.344 0.012 . . . . . . . 47 D CA . 52732 1
362 . 1 . 1 47 47 ASP CB C 13 42.172 0.002 . . . . . . . 47 D CB . 52732 1
363 . 1 . 1 47 47 ASP N N 15 124.930 0.000 . . . . . . . 47 D N . 52732 1
364 . 1 . 1 48 48 ALA H H 1 8.329 0.000 . . . . . . . 48 A HN . 52732 1
365 . 1 . 1 48 48 ALA HA H 1 4.116 0.004 . . . . . . . 48 A HA . 52732 1
366 . 1 . 1 48 48 ALA HB1 H 1 1.511 0.000 . . . . . . . 48 A HB# . 52732 1
367 . 1 . 1 48 48 ALA HB2 H 1 1.511 0.000 . . . . . . . 48 A HB# . 52732 1
368 . 1 . 1 48 48 ALA HB3 H 1 1.511 0.000 . . . . . . . 48 A HB# . 52732 1
369 . 1 . 1 48 48 ALA C C 13 179.919 0.000 . . . . . . . 48 A C . 52732 1
370 . 1 . 1 48 48 ALA CA C 13 55.129 0.003 . . . . . . . 48 A CA . 52732 1
371 . 1 . 1 48 48 ALA CB C 13 18.389 0.000 . . . . . . . 48 A CB . 52732 1
372 . 1 . 1 48 48 ALA N N 15 119.956 0.000 . . . . . . . 48 A N . 52732 1
373 . 1 . 1 49 49 THR H H 1 7.005 0.000 . . . . . . . 49 T HN . 52732 1
374 . 1 . 1 49 49 THR HA H 1 4.400 0.004 . . . . . . . 49 T HA . 52732 1
375 . 1 . 1 49 49 THR HB H 1 4.415 0.000 . . . . . . . 49 T HB . 52732 1
376 . 1 . 1 49 49 THR C C 13 175.347 0.000 . . . . . . . 49 T C . 52732 1
377 . 1 . 1 49 49 THR CA C 13 60.482 0.003 . . . . . . . 49 T CA . 52732 1
378 . 1 . 1 49 49 THR CB C 13 70.213 0.000 . . . . . . . 49 T CB . 52732 1
379 . 1 . 1 49 49 THR N N 15 103.256 0.000 . . . . . . . 49 T N . 52732 1
380 . 1 . 1 50 50 LYS H H 1 7.861 0.000 . . . . . . . 50 K HN . 52732 1
381 . 1 . 1 50 50 LYS HA H 1 4.191 0.008 . . . . . . . 50 K HA . 52732 1
382 . 1 . 1 50 50 LYS HB2 H 1 2.037 0.000 . . . . . . . 50 K QB . 52732 1
383 . 1 . 1 50 50 LYS HB3 H 1 2.037 0.000 . . . . . . . 50 K QB . 52732 1
384 . 1 . 1 50 50 LYS C C 13 175.031 0.000 . . . . . . . 50 K C . 52732 1
385 . 1 . 1 50 50 LYS CA C 13 56.643 0.018 . . . . . . . 50 K CA . 52732 1
386 . 1 . 1 50 50 LYS CB C 13 29.312 0.000 . . . . . . . 50 K CB . 52732 1
387 . 1 . 1 50 50 LYS N N 15 123.182 0.000 . . . . . . . 50 K N . 52732 1
388 . 1 . 1 51 51 THR H H 1 7.369 0.000 . . . . . . . 51 T HN . 52732 1
389 . 1 . 1 51 51 THR HA H 1 5.484 0.002 . . . . . . . 51 T HA . 52732 1
390 . 1 . 1 51 51 THR HB H 1 3.764 0.000 . . . . . . . 51 T HB . 52732 1
391 . 1 . 1 51 51 THR C C 13 174.869 0.000 . . . . . . . 51 T C . 52732 1
392 . 1 . 1 51 51 THR CA C 13 62.321 0.008 . . . . . . . 51 T CA . 52732 1
393 . 1 . 1 51 51 THR CB C 13 72.109 0.000 . . . . . . . 51 T CB . 52732 1
394 . 1 . 1 51 51 THR N N 15 111.090 0.000 . . . . . . . 51 T N . 52732 1
395 . 1 . 1 52 52 PHE H H 1 10.400 0.000 . . . . . . . 52 F HN . 52732 1
396 . 1 . 1 52 52 PHE HA H 1 5.668 0.004 . . . . . . . 52 F HA . 52732 1
397 . 1 . 1 52 52 PHE HB2 H 1 3.206 0.000 . . . . . . . 52 F HB2 . 52732 1
398 . 1 . 1 52 52 PHE HB3 H 1 3.298 0.000 . . . . . . . 52 F HB3 . 52732 1
399 . 1 . 1 52 52 PHE C C 13 174.613 0.000 . . . . . . . 52 F C . 52732 1
400 . 1 . 1 52 52 PHE CA C 13 57.239 0.006 . . . . . . . 52 F CA . 52732 1
401 . 1 . 1 52 52 PHE CB C 13 42.673 0.002 . . . . . . . 52 F CB . 52732 1
402 . 1 . 1 52 52 PHE N N 15 130.968 0.000 . . . . . . . 52 F N . 52732 1
403 . 1 . 1 53 53 THR H H 1 9.094 0.000 . . . . . . . 53 T HN . 52732 1
404 . 1 . 1 53 53 THR HA H 1 5.198 0.002 . . . . . . . 53 T HA . 52732 1
405 . 1 . 1 53 53 THR HB H 1 3.827 0.000 . . . . . . . 53 T HB . 52732 1
406 . 1 . 1 53 53 THR C C 13 172.735 0.000 . . . . . . . 53 T C . 52732 1
407 . 1 . 1 53 53 THR CA C 13 61.557 0.002 . . . . . . . 53 T CA . 52732 1
408 . 1 . 1 53 53 THR CB C 13 71.016 0.000 . . . . . . . 53 T CB . 52732 1
409 . 1 . 1 53 53 THR N N 15 117.053 0.000 . . . . . . . 53 T N . 52732 1
410 . 1 . 1 54 54 VAL H H 1 8.238 0.000 . . . . . . . 54 V HN . 52732 1
411 . 1 . 1 54 54 VAL HA H 1 4.469 0.011 . . . . . . . 54 V HA . 52732 1
412 . 1 . 1 54 54 VAL HB H 1 -0.225 0.000 . . . . . . . 54 V HB . 52732 1
413 . 1 . 1 54 54 VAL C C 13 173.330 0.000 . . . . . . . 54 V C . 52732 1
414 . 1 . 1 54 54 VAL CA C 13 58.090 0.029 . . . . . . . 54 V CA . 52732 1
415 . 1 . 1 54 54 VAL CB C 13 32.363 0.000 . . . . . . . 54 V CB . 52732 1
416 . 1 . 1 54 54 VAL N N 15 123.397 0.000 . . . . . . . 54 V N . 52732 1
417 . 1 . 1 55 55 THR H H 1 8.327 0.000 . . . . . . . 55 T HN . 52732 1
418 . 1 . 1 55 55 THR HA H 1 4.645 0.004 . . . . . . . 55 T HA . 52732 1
419 . 1 . 1 55 55 THR HB H 1 3.771 0.000 . . . . . . . 55 T HB . 52732 1
420 . 1 . 1 55 55 THR C C 13 174.149 0.000 . . . . . . . 55 T C . 52732 1
421 . 1 . 1 55 55 THR CA C 13 60.840 0.016 . . . . . . . 55 T CA . 52732 1
422 . 1 . 1 55 55 THR CB C 13 70.469 0.000 . . . . . . . 55 T CB . 52732 1
423 . 1 . 1 55 55 THR N N 15 123.605 0.000 . . . . . . . 55 T N . 52732 1
424 . 1 . 1 56 56 GLU H H 1 7.993 0.000 . . . . . . . 56 E HN . 52732 1
425 . 1 . 1 56 56 GLU HA H 1 4.399 0.000 . . . . . . . 56 E HA . 52732 1
426 . 1 . 1 56 56 GLU HB2 H 1 1.973 0.000 . . . . . . . 56 E HB2 . 52732 1
427 . 1 . 1 56 56 GLU HB3 H 1 2.096 0.000 . . . . . . . 56 E HB3 . 52732 1
428 . 1 . 1 56 56 GLU C C 13 175.549 0.000 . . . . . . . 56 E C . 52732 1
429 . 1 . 1 56 56 GLU CA C 13 56.287 0.000 . . . . . . . 56 E CA . 52732 1
430 . 1 . 1 56 56 GLU CB C 13 31.569 0.000 . . . . . . . 56 E CB . 52732 1
431 . 1 . 1 56 56 GLU N N 15 127.563 0.000 . . . . . . . 56 E N . 52732 1
432 . 1 . 1 57 57 HIS H H 1 8.675 0.000 . . . . . . . 57 H HN . 52732 1
433 . 1 . 1 57 57 HIS HA H 1 4.651 0.005 . . . . . . . 57 H HA . 52732 1
434 . 1 . 1 57 57 HIS HB2 H 1 2.921 0.000 . . . . . . . 57 H HB2 . 52732 1
435 . 1 . 1 57 57 HIS HB3 H 1 3.036 0.000 . . . . . . . 57 H HB3 . 52732 1
436 . 1 . 1 57 57 HIS CA C 13 56.426 0.025 . . . . . . . 57 H CA . 52732 1
437 . 1 . 1 57 57 HIS CB C 13 31.604 0.000 . . . . . . . 57 H CB . 52732 1
438 . 1 . 1 57 57 HIS N N 15 123.710 0.000 . . . . . . . 57 H N . 52732 1
439 . 1 . 1 70 70 SER HA H 1 4.546 0.000 . . . . . . . 70 S HA . 52732 1
440 . 1 . 1 70 70 SER HB2 H 1 3.895 0.000 . . . . . . . 70 S QB . 52732 1
441 . 1 . 1 70 70 SER HB3 H 1 3.895 0.000 . . . . . . . 70 S QB . 52732 1
442 . 1 . 1 70 70 SER C C 13 174.886 0.000 . . . . . . . 70 S C . 52732 1
443 . 1 . 1 70 70 SER CA C 13 58.587 0.000 . . . . . . . 70 S CA . 52732 1
444 . 1 . 1 70 70 SER CB C 13 63.860 0.000 . . . . . . . 70 S CB . 52732 1
445 . 1 . 1 71 71 THR H H 1 8.214 0.000 . . . . . . . 71 T HN . 52732 1
446 . 1 . 1 71 71 THR HA H 1 4.358 0.005 . . . . . . . 71 T HA . 52732 1
447 . 1 . 1 71 71 THR HB H 1 4.244 0.000 . . . . . . . 71 T HB . 52732 1
448 . 1 . 1 71 71 THR C C 13 174.805 0.000 . . . . . . . 71 T C . 52732 1
449 . 1 . 1 71 71 THR CA C 13 62.202 0.005 . . . . . . . 71 T CA . 52732 1
450 . 1 . 1 71 71 THR CB C 13 69.756 0.000 . . . . . . . 71 T CB . 52732 1
451 . 1 . 1 71 71 THR N N 15 116.003 0.000 . . . . . . . 71 T N . 52732 1
452 . 1 . 1 72 72 VAL H H 1 8.084 0.000 . . . . . . . 72 V HN . 52732 1
453 . 1 . 1 72 72 VAL HA H 1 4.040 0.005 . . . . . . . 72 V HA . 52732 1
454 . 1 . 1 72 72 VAL HB H 1 2.047 0.000 . . . . . . . 72 V HB . 52732 1
455 . 1 . 1 72 72 VAL C C 13 176.296 0.000 . . . . . . . 72 V C . 52732 1
456 . 1 . 1 72 72 VAL CA C 13 62.952 0.011 . . . . . . . 72 V CA . 52732 1
457 . 1 . 1 72 72 VAL CB C 13 32.569 0.000 . . . . . . . 72 V CB . 52732 1
458 . 1 . 1 72 72 VAL N N 15 122.199 0.000 . . . . . . . 72 V N . 52732 1
459 . 1 . 1 73 73 GLN H H 1 8.393 0.000 . . . . . . . 73 Q HN . 52732 1
460 . 1 . 1 73 73 GLN HA H 1 4.276 0.004 . . . . . . . 73 Q HA . 52732 1
461 . 1 . 1 73 73 GLN HB2 H 1 1.970 0.000 . . . . . . . 73 Q HB2 . 52732 1
462 . 1 . 1 73 73 GLN HB3 H 1 2.066 0.000 . . . . . . . 73 Q HB3 . 52732 1
463 . 1 . 1 73 73 GLN C C 13 175.910 0.000 . . . . . . . 73 Q C . 52732 1
464 . 1 . 1 73 73 GLN CA C 13 56.311 0.002 . . . . . . . 73 Q CA . 52732 1
465 . 1 . 1 73 73 GLN CB C 13 29.385 0.002 . . . . . . . 73 Q CB . 52732 1
466 . 1 . 1 73 73 GLN N N 15 123.371 0.000 . . . . . . . 73 Q N . 52732 1
467 . 1 . 1 74 74 ASN H H 1 8.414 0.000 . . . . . . . 74 N HN . 52732 1
468 . 1 . 1 74 74 ASN HA H 1 4.668 0.003 . . . . . . . 74 N HA . 52732 1
469 . 1 . 1 74 74 ASN HB2 H 1 2.812 0.000 . . . . . . . 74 N QB . 52732 1
470 . 1 . 1 74 74 ASN HB3 H 1 2.812 0.000 . . . . . . . 74 N QB . 52732 1
471 . 1 . 1 74 74 ASN C C 13 175.410 0.000 . . . . . . . 74 N C . 52732 1
472 . 1 . 1 74 74 ASN CA C 13 53.566 0.007 . . . . . . . 74 N CA . 52732 1
473 . 1 . 1 74 74 ASN CB C 13 38.843 0.000 . . . . . . . 74 N CB . 52732 1
474 . 1 . 1 74 74 ASN N N 15 119.810 0.000 . . . . . . . 74 N N . 52732 1
475 . 1 . 1 75 75 ARG H H 1 8.278 0.000 . . . . . . . 75 R HN . 52732 1
476 . 1 . 1 75 75 ARG HA H 1 4.259 0.014 . . . . . . . 75 R HA . 52732 1
477 . 1 . 1 75 75 ARG HB2 H 1 1.799 0.000 . . . . . . . 75 R HB2 . 52732 1
478 . 1 . 1 75 75 ARG HB3 H 1 1.878 0.000 . . . . . . . 75 R HB3 . 52732 1
479 . 1 . 1 75 75 ARG C C 13 176.553 0.000 . . . . . . . 75 R C . 52732 1
480 . 1 . 1 75 75 ARG CA C 13 56.946 0.007 . . . . . . . 75 R CA . 52732 1
481 . 1 . 1 75 75 ARG CB C 13 30.568 0.000 . . . . . . . 75 R CB . 52732 1
482 . 1 . 1 75 75 ARG N N 15 121.407 0.000 . . . . . . . 75 R N . 52732 1
483 . 1 . 1 76 76 LEU H H 1 8.218 0.000 . . . . . . . 76 L HN . 52732 1
484 . 1 . 1 76 76 LEU HA H 1 4.285 0.000 . . . . . . . 76 L HA . 52732 1
485 . 1 . 1 76 76 LEU HB2 H 1 1.577 0.000 . . . . . . . 76 L HB2 . 52732 1
486 . 1 . 1 76 76 LEU HB3 H 1 1.670 0.000 . . . . . . . 76 L HB3 . 52732 1
487 . 1 . 1 76 76 LEU C C 13 177.849 0.000 . . . . . . . 76 L C . 52732 1
488 . 1 . 1 76 76 LEU CA C 13 55.903 0.000 . . . . . . . 76 L CA . 52732 1
489 . 1 . 1 76 76 LEU CB C 13 42.138 0.000 . . . . . . . 76 L CB . 52732 1
490 . 1 . 1 76 76 LEU N N 15 122.291 0.000 . . . . . . . 76 L N . 52732 1
491 . 1 . 1 77 77 GLU H H 1 8.327 0.000 . . . . . . . 77 E HN . 52732 1
492 . 1 . 1 77 77 GLU HA H 1 4.232 0.010 . . . . . . . 77 E HA . 52732 1
493 . 1 . 1 77 77 GLU HB2 H 1 1.941 0.000 . . . . . . . 77 E HB2 . 52732 1
494 . 1 . 1 77 77 GLU HB3 H 1 1.991 0.000 . . . . . . . 77 E HB3 . 52732 1
495 . 1 . 1 77 77 GLU C C 13 176.841 0.000 . . . . . . . 77 E C . 52732 1
496 . 1 . 1 77 77 GLU CA C 13 57.023 0.005 . . . . . . . 77 E CA . 52732 1
497 . 1 . 1 77 77 GLU CB C 13 29.987 0.002 . . . . . . . 77 E CB . 52732 1
498 . 1 . 1 77 77 GLU N N 15 121.386 0.000 . . . . . . . 77 E N . 52732 1
499 . 1 . 1 78 78 LEU H H 1 8.076 0.000 . . . . . . . 78 L HN . 52732 1
500 . 1 . 1 78 78 LEU HA H 1 4.186 0.003 . . . . . . . 78 L HA . 52732 1
501 . 1 . 1 78 78 LEU HB2 H 1 1.421 0.000 . . . . . . . 78 L HB2 . 52732 1
502 . 1 . 1 78 78 LEU HB3 H 1 1.558 0.000 . . . . . . . 78 L HB3 . 52732 1
503 . 1 . 1 78 78 LEU C C 13 177.720 0.000 . . . . . . . 78 L C . 52732 1
504 . 1 . 1 78 78 LEU CA C 13 56.012 0.006 . . . . . . . 78 L CA . 52732 1
505 . 1 . 1 78 78 LEU CB C 13 42.238 0.002 . . . . . . . 78 L CB . 52732 1
506 . 1 . 1 78 78 LEU N N 15 121.980 0.000 . . . . . . . 78 L N . 52732 1
507 . 1 . 1 79 79 PHE H H 1 8.156 0.000 . . . . . . . 79 F HN . 52732 1
508 . 1 . 1 79 79 PHE HA H 1 4.589 0.000 . . . . . . . 79 F HA . 52732 1
509 . 1 . 1 79 79 PHE HB2 H 1 3.075 0.000 . . . . . . . 79 F HB2 . 52732 1
510 . 1 . 1 79 79 PHE HB3 H 1 3.192 0.000 . . . . . . . 79 F HB3 . 52732 1
511 . 1 . 1 79 79 PHE C C 13 176.312 0.000 . . . . . . . 79 F C . 52732 1
512 . 1 . 1 79 79 PHE CA C 13 58.339 0.000 . . . . . . . 79 F CA . 52732 1
513 . 1 . 1 79 79 PHE CB C 13 39.306 0.001 . . . . . . . 79 F CB . 52732 1
514 . 1 . 1 79 79 PHE N N 15 119.538 0.000 . . . . . . . 79 F N . 52732 1
515 . 1 . 1 80 80 SER H H 1 8.147 0.000 . . . . . . . 80 S HN . 52732 1
516 . 1 . 1 80 80 SER HA H 1 4.345 0.004 . . . . . . . 80 S HA . 52732 1
517 . 1 . 1 80 80 SER HB2 H 1 3.890 0.000 . . . . . . . 80 S QB . 52732 1
518 . 1 . 1 80 80 SER HB3 H 1 3.890 0.000 . . . . . . . 80 S QB . 52732 1
519 . 1 . 1 80 80 SER C C 13 174.905 0.000 . . . . . . . 80 S C . 52732 1
520 . 1 . 1 80 80 SER CA C 13 59.063 0.010 . . . . . . . 80 S CA . 52732 1
521 . 1 . 1 80 80 SER CB C 13 63.903 0.000 . . . . . . . 80 S CB . 52732 1
522 . 1 . 1 80 80 SER N N 15 116.114 0.000 . . . . . . . 80 S N . 52732 1
523 . 1 . 1 81 81 ARG H H 1 8.193 0.000 . . . . . . . 81 R HN . 52732 1
524 . 1 . 1 81 81 ARG HA H 1 4.292 0.011 . . . . . . . 81 R HA . 52732 1
525 . 1 . 1 81 81 ARG HB2 H 1 1.804 0.000 . . . . . . . 81 R HB2 . 52732 1
526 . 1 . 1 81 81 ARG HB3 H 1 1.894 0.000 . . . . . . . 81 R HB3 . 52732 1
527 . 1 . 1 81 81 ARG C C 13 176.593 0.000 . . . . . . . 81 R C . 52732 1
528 . 1 . 1 81 81 ARG CA C 13 56.730 0.014 . . . . . . . 81 R CA . 52732 1
529 . 1 . 1 81 81 ARG CB C 13 30.603 0.000 . . . . . . . 81 R CB . 52732 1
530 . 1 . 1 81 81 ARG N N 15 122.630 0.000 . . . . . . . 81 R N . 52732 1
531 . 1 . 1 82 82 ARG H H 1 8.202 0.000 . . . . . . . 82 R HN . 52732 1
532 . 1 . 1 82 82 ARG HA H 1 4.285 0.010 . . . . . . . 82 R HA . 52732 1
533 . 1 . 1 82 82 ARG HB2 H 1 1.788 0.000 . . . . . . . 82 R HB2 . 52732 1
534 . 1 . 1 82 82 ARG HB3 H 1 1.850 0.000 . . . . . . . 82 R HB3 . 52732 1
535 . 1 . 1 82 82 ARG C C 13 176.742 0.000 . . . . . . . 82 R C . 52732 1
536 . 1 . 1 82 82 ARG CA C 13 56.775 0.004 . . . . . . . 82 R CA . 52732 1
537 . 1 . 1 82 82 ARG CB C 13 30.509 0.000 . . . . . . . 82 R CB . 52732 1
538 . 1 . 1 82 82 ARG N N 15 121.378 0.000 . . . . . . . 82 R N . 52732 1
539 . 1 . 1 83 83 LEU H H 1 8.199 0.000 . . . . . . . 83 L HN . 52732 1
540 . 1 . 1 83 83 LEU HA H 1 4.302 0.006 . . . . . . . 83 L HA . 52732 1
541 . 1 . 1 83 83 LEU HB2 H 1 1.576 0.000 . . . . . . . 83 L HB2 . 52732 1
542 . 1 . 1 83 83 LEU HB3 H 1 1.665 0.000 . . . . . . . 83 L HB3 . 52732 1
543 . 1 . 1 83 83 LEU C C 13 177.899 0.000 . . . . . . . 83 L C . 52732 1
544 . 1 . 1 83 83 LEU CA C 13 55.753 0.044 . . . . . . . 83 L CA . 52732 1
545 . 1 . 1 83 83 LEU CB C 13 42.213 0.004 . . . . . . . 83 L CB . 52732 1
546 . 1 . 1 83 83 LEU N N 15 122.296 0.000 . . . . . . . 83 L N . 52732 1
547 . 1 . 1 84 84 SER H H 1 8.206 0.000 . . . . . . . 84 S HN . 52732 1
548 . 1 . 1 84 84 SER HA H 1 4.402 0.005 . . . . . . . 84 S HA . 52732 1
549 . 1 . 1 84 84 SER HB2 H 1 3.898 0.000 . . . . . . . 84 S QB . 52732 1
550 . 1 . 1 84 84 SER HB3 H 1 3.898 0.000 . . . . . . . 84 S QB . 52732 1
551 . 1 . 1 84 84 SER C C 13 175.001 0.000 . . . . . . . 84 S C . 52732 1
552 . 1 . 1 84 84 SER CA C 13 58.887 0.023 . . . . . . . 84 S CA . 52732 1
553 . 1 . 1 84 84 SER CB C 13 63.793 0.000 . . . . . . . 84 S CB . 52732 1
554 . 1 . 1 84 84 SER N N 15 115.617 0.000 . . . . . . . 84 S N . 52732 1
555 . 1 . 1 85 85 GLN H H 1 8.324 0.000 . . . . . . . 85 Q HN . 52732 1
556 . 1 . 1 85 85 GLN HA H 1 4.330 0.004 . . . . . . . 85 Q HA . 52732 1
557 . 1 . 1 85 85 GLN HB2 H 1 2.027 0.000 . . . . . . . 85 Q HB2 . 52732 1
558 . 1 . 1 85 85 GLN HB3 H 1 2.154 0.000 . . . . . . . 85 Q HB3 . 52732 1
559 . 1 . 1 85 85 GLN C C 13 176.151 0.000 . . . . . . . 85 Q C . 52732 1
560 . 1 . 1 85 85 GLN CA C 13 56.266 0.002 . . . . . . . 85 Q CA . 52732 1
561 . 1 . 1 85 85 GLN CB C 13 29.245 0.004 . . . . . . . 85 Q CB . 52732 1
562 . 1 . 1 85 85 GLN N N 15 121.647 0.000 . . . . . . . 85 Q N . 52732 1
563 . 1 . 1 86 86 LEU H H 1 8.109 0.000 . . . . . . . 86 L HN . 52732 1
564 . 1 . 1 86 86 LEU HA H 1 4.313 0.005 . . . . . . . 86 L HA . 52732 1
565 . 1 . 1 86 86 LEU HB2 H 1 1.602 0.000 . . . . . . . 86 L HB2 . 52732 1
566 . 1 . 1 86 86 LEU HB3 H 1 1.669 0.000 . . . . . . . 86 L HB3 . 52732 1
567 . 1 . 1 86 86 LEU C C 13 177.868 0.000 . . . . . . . 86 L C . 52732 1
568 . 1 . 1 86 86 LEU CA C 13 55.599 0.002 . . . . . . . 86 L CA . 52732 1
569 . 1 . 1 86 86 LEU CB C 13 42.407 0.001 . . . . . . . 86 L CB . 52732 1
570 . 1 . 1 86 86 LEU N N 15 121.825 0.000 . . . . . . . 86 L N . 52732 1
571 . 1 . 1 87 87 GLY H H 1 8.308 0.000 . . . . . . . 87 G HN . 52732 1
572 . 1 . 1 87 87 GLY HA2 H 1 3.930 0.000 . . . . . . . 87 G QA . 52732 1
573 . 1 . 1 87 87 GLY HA3 H 1 3.930 0.000 . . . . . . . 87 G QA . 52732 1
574 . 1 . 1 87 87 GLY C C 13 174.068 0.000 . . . . . . . 87 G C . 52732 1
575 . 1 . 1 87 87 GLY CA C 13 45.480 0.000 . . . . . . . 87 G CA . 52732 1
576 . 1 . 1 87 87 GLY N N 15 109.155 0.000 . . . . . . . 87 G N . 52732 1
577 . 1 . 1 88 88 LEU H H 1 7.947 0.000 . . . . . . . 88 L HN . 52732 1
578 . 1 . 1 88 88 LEU HA H 1 4.374 0.004 . . . . . . . 88 L HA . 52732 1
579 . 1 . 1 88 88 LEU HB2 H 1 1.596 0.000 . . . . . . . 88 L QB . 52732 1
580 . 1 . 1 88 88 LEU HB3 H 1 1.596 0.000 . . . . . . . 88 L QB . 52732 1
581 . 1 . 1 88 88 LEU C C 13 177.080 0.000 . . . . . . . 88 L C . 52732 1
582 . 1 . 1 88 88 LEU CA C 13 54.883 0.003 . . . . . . . 88 L CA . 52732 1
583 . 1 . 1 88 88 LEU CB C 13 42.722 0.000 . . . . . . . 88 L CB . 52732 1
584 . 1 . 1 88 88 LEU N N 15 121.235 0.000 . . . . . . . 88 L N . 52732 1
585 . 1 . 1 89 89 ALA H H 1 8.310 0.000 . . . . . . . 89 A HN . 52732 1
586 . 1 . 1 89 89 ALA HA H 1 4.376 0.004 . . . . . . . 89 A HA . 52732 1
587 . 1 . 1 89 89 ALA HB1 H 1 1.406 0.000 . . . . . . . 89 A HB# . 52732 1
588 . 1 . 1 89 89 ALA HB2 H 1 1.406 0.000 . . . . . . . 89 A HB# . 52732 1
589 . 1 . 1 89 89 ALA HB3 H 1 1.406 0.000 . . . . . . . 89 A HB# . 52732 1
590 . 1 . 1 89 89 ALA C C 13 177.449 0.000 . . . . . . . 89 A C . 52732 1
591 . 1 . 1 89 89 ALA CA C 13 52.428 0.004 . . . . . . . 89 A CA . 52732 1
592 . 1 . 1 89 89 ALA CB C 13 19.470 0.000 . . . . . . . 89 A CB . 52732 1
593 . 1 . 1 89 89 ALA N N 15 124.878 0.000 . . . . . . . 89 A N . 52732 1
594 . 1 . 1 90 90 SER H H 1 8.233 0.000 . . . . . . . 90 S HN . 52732 1
595 . 1 . 1 90 90 SER HA H 1 4.456 0.002 . . . . . . . 90 S HA . 52732 1
596 . 1 . 1 90 90 SER HB2 H 1 3.819 0.000 . . . . . . . 90 S HB2 . 52732 1
597 . 1 . 1 90 90 SER HB3 H 1 3.881 0.000 . . . . . . . 90 S HB3 . 52732 1
598 . 1 . 1 90 90 SER C C 13 173.469 0.000 . . . . . . . 90 S C . 52732 1
599 . 1 . 1 90 90 SER CA C 13 58.120 0.002 . . . . . . . 90 S CA . 52732 1
600 . 1 . 1 90 90 SER CB C 13 64.283 0.002 . . . . . . . 90 S CB . 52732 1
601 . 1 . 1 90 90 SER N N 15 115.313 0.000 . . . . . . . 90 S N . 52732 1
602 . 1 . 1 91 91 ASP H H 1 7.988 0.000 . . . . . . . 91 D HN . 52732 1
603 . 1 . 1 91 91 ASP HA H 1 4.392 0.000 . . . . . . . 91 D HA . 52732 1
604 . 1 . 1 91 91 ASP HB2 H 1 2.561 0.000 . . . . . . . 91 D HB2 . 52732 1
605 . 1 . 1 91 91 ASP HB3 H 1 2.662 0.000 . . . . . . . 91 D HB3 . 52732 1
606 . 1 . 1 91 91 ASP CA C 13 56.028 0.000 . . . . . . . 91 D CA . 52732 1
607 . 1 . 1 91 91 ASP CB C 13 42.269 0.001 . . . . . . . 91 D CB . 52732 1
608 . 1 . 1 91 91 ASP N N 15 127.689 0.000 . . . . . . . 91 D N . 52732 1
stop_
save_