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 53396
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_hIF1_15N13C
_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 '3D HNCO' . . . 53396 1
2 '3D HN(CA)CO' . . . 53396 1
3 '3D HNCACB' . . . 53396 1
4 '3D HN(CO)CA' . . . 53396 1
5 '2D 1H-13C HSQC' . . . 53396 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
1 $software_1 . . 53396 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 GLY HA2 H 1 3.958 0.000 . 2 . . . . . 1 GLY HA2 . 53396 1
2 . 1 . 1 1 1 GLY HA3 H 1 4.019 0.000 . 2 . . . . . 1 GLY HA3 . 53396 1
3 . 1 . 1 1 1 GLY CA C 13 43.376 0.000 . 1 . . . . . 1 GLY CA . 53396 1
4 . 1 . 1 2 2 SER HA H 1 4.472 0.000 . 1 . . . . . 2 SER HA . 53396 1
5 . 1 . 1 2 2 SER HB2 H 1 4.204 0.000 . 1 . . . . . 2 SER HB2 . 53396 1
6 . 1 . 1 2 2 SER HB3 H 1 4.204 0.000 . 1 . . . . . 2 SER HB3 . 53396 1
7 . 1 . 1 2 2 SER C C 13 173.644 0.000 . 1 . . . . . 2 SER C . 53396 1
8 . 1 . 1 2 2 SER CA C 13 59.141 0.000 . 1 . . . . . 2 SER CA . 53396 1
9 . 1 . 1 2 2 SER CB C 13 64.657 0.000 . 1 . . . . . 2 SER CB . 53396 1
10 . 1 . 1 3 3 ASP H H 1 8.536 0.011 . 1 . . . . . 3 ASP H . 53396 1
11 . 1 . 1 3 3 ASP HA H 1 4.668 0.017 . 1 . . . . . 3 ASP HA . 53396 1
12 . 1 . 1 3 3 ASP HB2 H 1 2.733 0.000 . 1 . . . . . 3 ASP HB2 . 53396 1
13 . 1 . 1 3 3 ASP HB3 H 1 2.733 0.000 . 1 . . . . . 3 ASP HB3 . 53396 1
14 . 1 . 1 3 3 ASP C C 13 175.724 0.000 . 1 . . . . . 3 ASP C . 53396 1
15 . 1 . 1 3 3 ASP CA C 13 54.813 0.000 . 1 . . . . . 3 ASP CA . 53396 1
16 . 1 . 1 3 3 ASP CB C 13 41.444 0.000 . 1 . . . . . 3 ASP CB . 53396 1
17 . 1 . 1 3 3 ASP N N 15 122.170 0.001 . 1 . . . . . 3 ASP N . 53396 1
18 . 1 . 1 4 4 GLN H H 1 8.329 0.004 . 1 . . . . . 4 GLN H . 53396 1
19 . 1 . 1 4 4 GLN HA H 1 4.321 0.025 . 1 . . . . . 4 GLN HA . 53396 1
20 . 1 . 1 4 4 GLN HB2 H 1 1.979 0.000 . 1 . . . . . 4 GLN HB2 . 53396 1
21 . 1 . 1 4 4 GLN HB3 H 1 1.979 0.000 . 1 . . . . . 4 GLN HB3 . 53396 1
22 . 1 . 1 4 4 GLN HG2 H 1 2.306 0.000 . 1 . . . . . 4 GLN HG2 . 53396 1
23 . 1 . 1 4 4 GLN HG3 H 1 2.306 0.000 . 1 . . . . . 4 GLN HG3 . 53396 1
24 . 1 . 1 4 4 GLN HE21 H 1 7.483 0.000 . 1 . . . . . 4 GLN HE21 . 53396 1
25 . 1 . 1 4 4 GLN HE22 H 1 6.815 0.000 . 1 . . . . . 4 GLN HE22 . 53396 1
26 . 1 . 1 4 4 GLN C C 13 175.569 0.000 . 1 . . . . . 4 GLN C . 53396 1
27 . 1 . 1 4 4 GLN CA C 13 56.938 0.000 . 1 . . . . . 4 GLN CA . 53396 1
28 . 1 . 1 4 4 GLN CB C 13 30.875 0.000 . 1 . . . . . 4 GLN CB . 53396 1
29 . 1 . 1 4 4 GLN CG C 13 36.169 0.000 . 1 . . . . . 4 GLN CG . 53396 1
30 . 1 . 1 4 4 GLN CD C 13 179.292 0.000 . 1 . . . . . 4 GLN CD . 53396 1
31 . 1 . 1 4 4 GLN N N 15 122.365 0.053 . 1 . . . . . 4 GLN N . 53396 1
32 . 1 . 1 4 4 GLN NE2 N 15 111.470 0.020 . 1 . . . . . 4 GLN NE2 . 53396 1
33 . 1 . 1 5 5 SER H H 1 8.343 0.007 . 1 . . . . . 5 SER H . 53396 1
34 . 1 . 1 5 5 SER HA H 1 4.455 0.023 . 1 . . . . . 5 SER HA . 53396 1
35 . 1 . 1 5 5 SER HB2 H 1 3.918 0.000 . 1 . . . . . 5 SER HB2 . 53396 1
36 . 1 . 1 5 5 SER HB3 H 1 3.918 0.000 . 1 . . . . . 5 SER HB3 . 53396 1
37 . 1 . 1 5 5 SER C C 13 173.952 0.000 . 1 . . . . . 5 SER C . 53396 1
38 . 1 . 1 5 5 SER CA C 13 59.737 0.000 . 1 . . . . . 5 SER CA . 53396 1
39 . 1 . 1 5 5 SER CB C 13 64.262 0.000 . 1 . . . . . 5 SER CB . 53396 1
40 . 1 . 1 5 5 SER N N 15 116.778 0.030 . 1 . . . . . 5 SER N . 53396 1
41 . 1 . 1 6 6 GLU H H 1 8.367 0.006 . 1 . . . . . 6 GLU H . 53396 1
42 . 1 . 1 6 6 GLU HA H 1 4.377 0.037 . 1 . . . . . 6 GLU HA . 53396 1
43 . 1 . 1 6 6 GLU HB2 H 1 2.002 0.000 . 1 . . . . . 6 GLU HB2 . 53396 1
44 . 1 . 1 6 6 GLU HB3 H 1 2.002 0.000 . 1 . . . . . 6 GLU HB3 . 53396 1
45 . 1 . 1 6 6 GLU HG2 H 1 2.303 0.000 . 1 . . . . . 6 GLU HG2 . 53396 1
46 . 1 . 1 6 6 GLU HG3 H 1 2.303 0.000 . 1 . . . . . 6 GLU HG3 . 53396 1
47 . 1 . 1 6 6 GLU C C 13 175.522 0.000 . 1 . . . . . 6 GLU C . 53396 1
48 . 1 . 1 6 6 GLU CA C 13 56.926 0.000 . 1 . . . . . 6 GLU CA . 53396 1
49 . 1 . 1 6 6 GLU CB C 13 30.614 0.000 . 1 . . . . . 6 GLU CB . 53396 1
50 . 1 . 1 6 6 GLU CG C 13 36.249 0.000 . 1 . . . . . 6 GLU CG . 53396 1
51 . 1 . 1 6 6 GLU N N 15 122.077 0.034 . 1 . . . . . 6 GLU N . 53396 1
52 . 1 . 1 7 7 ASN H H 1 8.388 0.003 . 1 . . . . . 7 ASN H . 53396 1
53 . 1 . 1 7 7 ASN HA H 1 4.715 0.005 . 1 . . . . . 7 ASN HA . 53396 1
54 . 1 . 1 7 7 ASN HB2 H 1 2.834 0.000 . 1 . . . . . 7 ASN HB2 . 53396 1
55 . 1 . 1 7 7 ASN HB3 H 1 2.834 0.000 . 1 . . . . . 7 ASN HB3 . 53396 1
56 . 1 . 1 7 7 ASN HD21 H 1 7.566 0.000 . 2 . . . . . 7 ASN HD21 . 53396 1
57 . 1 . 1 7 7 ASN HD22 H 1 6.906 0.000 . 2 . . . . . 7 ASN HD22 . 53396 1
58 . 1 . 1 7 7 ASN C C 13 174.583 0.000 . 1 . . . . . 7 ASN C . 53396 1
59 . 1 . 1 7 7 ASN CA C 13 53.963 0.000 . 1 . . . . . 7 ASN CA . 53396 1
60 . 1 . 1 7 7 ASN CB C 13 39.042 0.000 . 1 . . . . . 7 ASN CB . 53396 1
61 . 1 . 1 7 7 ASN CG C 13 176.423 0.000 . 1 . . . . . 7 ASN CG . 53396 1
62 . 1 . 1 7 7 ASN N N 15 119.564 0.006 . 1 . . . . . 7 ASN N . 53396 1
63 . 1 . 1 7 7 ASN ND2 N 15 112.648 0.010 . 1 . . . . . 7 ASN ND2 . 53396 1
64 . 1 . 1 8 8 VAL H H 1 7.973 0.010 . 1 . . . . . 8 VAL H . 53396 1
65 . 1 . 1 8 8 VAL HA H 1 4.158 0.022 . 1 . . . . . 8 VAL HA . 53396 1
66 . 1 . 1 8 8 VAL HB H 1 2.103 0.000 . 1 . . . . . 8 VAL HB . 53396 1
67 . 1 . 1 8 8 VAL HG11 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG11 . 53396 1
68 . 1 . 1 8 8 VAL HG12 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG12 . 53396 1
69 . 1 . 1 8 8 VAL HG13 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG13 . 53396 1
70 . 1 . 1 8 8 VAL HG21 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG21 . 53396 1
71 . 1 . 1 8 8 VAL HG22 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG22 . 53396 1
72 . 1 . 1 8 8 VAL HG23 H 1 0.939 0.000 . 1 . . . . . 8 VAL HG23 . 53396 1
73 . 1 . 1 8 8 VAL C C 13 175.035 0.000 . 1 . . . . . 8 VAL C . 53396 1
74 . 1 . 1 8 8 VAL CA C 13 62.811 0.000 . 1 . . . . . 8 VAL CA . 53396 1
75 . 1 . 1 8 8 VAL CB C 13 32.799 0.000 . 1 . . . . . 8 VAL CB . 53396 1
76 . 1 . 1 8 8 VAL CG1 C 13 21.110 0.000 . 2 . . . . . 8 VAL CG1 . 53396 1
77 . 1 . 1 8 8 VAL CG2 C 13 20.279 0.000 . 2 . . . . . 8 VAL CG2 . 53396 1
78 . 1 . 1 8 8 VAL N N 15 119.559 0.116 . 1 . . . . . 8 VAL N . 53396 1
79 . 1 . 1 9 9 ASP H H 1 8.385 0.003 . 1 . . . . . 9 ASP H . 53396 1
80 . 1 . 1 9 9 ASP HA H 1 4.844 0.091 . 1 . . . . . 9 ASP HA . 53396 1
81 . 1 . 1 9 9 ASP HB2 H 1 2.769 0.000 . 1 . . . . . 9 ASP HB2 . 53396 1
82 . 1 . 1 9 9 ASP HB3 H 1 2.686 0.000 . 1 . . . . . 9 ASP HB3 . 53396 1
83 . 1 . 1 9 9 ASP C C 13 175.809 0.000 . 1 . . . . . 9 ASP C . 53396 1
84 . 1 . 1 9 9 ASP CA C 13 54.820 0.000 . 1 . . . . . 9 ASP CA . 53396 1
85 . 1 . 1 9 9 ASP CB C 13 41.457 0.000 . 1 . . . . . 9 ASP CB . 53396 1
86 . 1 . 1 9 9 ASP N N 15 123.570 0.029 . 1 . . . . . 9 ASP N . 53396 1
87 . 1 . 1 10 10 ARG H H 1 8.352 0.008 . 1 . . . . . 10 ARG H . 53396 1
88 . 1 . 1 10 10 ARG HA H 1 4.427 0.030 . 1 . . . . . 10 ARG HA . 53396 1
89 . 1 . 1 10 10 ARG HB2 H 1 2.045 0.000 . 1 . . . . . 10 ARG HB2 . 53396 1
90 . 1 . 1 10 10 ARG HB3 H 1 2.045 0.000 . 1 . . . . . 10 ARG HB3 . 53396 1
91 . 1 . 1 10 10 ARG HG2 H 1 1.666 0.000 . 1 . . . . . 10 ARG HG2 . 53396 1
92 . 1 . 1 10 10 ARG HG3 H 1 1.666 0.000 . 1 . . . . . 10 ARG HG3 . 53396 1
93 . 1 . 1 10 10 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 10 ARG HD2 . 53396 1
94 . 1 . 1 10 10 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 10 ARG HD3 . 53396 1
95 . 1 . 1 10 10 ARG C C 13 176.436 0.000 . 1 . . . . . 10 ARG C . 53396 1
96 . 1 . 1 10 10 ARG CA C 13 56.667 0.000 . 1 . . . . . 10 ARG CA . 53396 1
97 . 1 . 1 10 10 ARG CB C 13 30.453 0.000 . 1 . . . . . 10 ARG CB . 53396 1
98 . 1 . 1 10 10 ARG CG C 13 27.185 0.000 . 1 . . . . . 10 ARG CG . 53396 1
99 . 1 . 1 10 10 ARG CD C 13 43.292 0.000 . 1 . . . . . 10 ARG CD . 53396 1
100 . 1 . 1 10 10 ARG N N 15 120.529 0.012 . 1 . . . . . 10 ARG N . 53396 1
101 . 1 . 1 11 11 GLY H H 1 8.454 0.006 . 1 . . . . . 11 GLY H . 53396 1
102 . 1 . 1 11 11 GLY HA2 H 1 3.982 0.007 . 1 . . . . . 11 GLY HA2 . 53396 1
103 . 1 . 1 11 11 GLY HA3 H 1 3.982 0.007 . 1 . . . . . 11 GLY HA3 . 53396 1
104 . 1 . 1 11 11 GLY C C 13 173.560 0.000 . 1 . . . . . 11 GLY C . 53396 1
105 . 1 . 1 11 11 GLY CA C 13 46.019 0.000 . 1 . . . . . 11 GLY CA . 53396 1
106 . 1 . 1 11 11 GLY N N 15 109.340 0.014 . 1 . . . . . 11 GLY N . 53396 1
107 . 1 . 1 12 12 ALA H H 1 8.171 0.006 . 1 . . . . . 12 ALA H . 53396 1
108 . 1 . 1 12 12 ALA HA H 1 4.360 0.004 . 1 . . . . . 12 ALA HA . 53396 1
109 . 1 . 1 12 12 ALA HB1 H 1 1.447 0.000 . 1 . . . . . 12 ALA HB1 . 53396 1
110 . 1 . 1 12 12 ALA HB2 H 1 1.447 0.000 . 1 . . . . . 12 ALA HB2 . 53396 1
111 . 1 . 1 12 12 ALA HB3 H 1 1.447 0.000 . 1 . . . . . 12 ALA HB3 . 53396 1
112 . 1 . 1 12 12 ALA C C 13 177.722 0.000 . 1 . . . . . 12 ALA C . 53396 1
113 . 1 . 1 12 12 ALA CA C 13 53.120 0.000 . 1 . . . . . 12 ALA CA . 53396 1
114 . 1 . 1 12 12 ALA CB C 13 19.717 0.000 . 1 . . . . . 12 ALA CB . 53396 1
115 . 1 . 1 12 12 ALA N N 15 123.926 0.013 . 1 . . . . . 12 ALA N . 53396 1
116 . 1 . 1 13 13 GLY H H 1 8.425 0.008 . 1 . . . . . 13 GLY H . 53396 1
117 . 1 . 1 13 13 GLY HA2 H 1 3.995 0.005 . 2 . . . . . 13 GLY HA2 . 53396 1
118 . 1 . 1 13 13 GLY HA3 H 1 4.004 0.013 . 2 . . . . . 13 GLY HA3 . 53396 1
119 . 1 . 1 13 13 GLY C C 13 173.659 0.000 . 1 . . . . . 13 GLY C . 53396 1
120 . 1 . 1 13 13 GLY CA C 13 45.710 0.000 . 1 . . . . . 13 GLY CA . 53396 1
121 . 1 . 1 13 13 GLY N N 15 107.819 0.012 . 1 . . . . . 13 GLY N . 53396 1
122 . 1 . 1 14 14 SER H H 1 8.103 0.007 . 1 . . . . . 14 SER H . 53396 1
123 . 1 . 1 14 14 SER HA H 1 4.553 0.056 . 1 . . . . . 14 SER HA . 53396 1
124 . 1 . 1 14 14 SER HB2 H 1 3.900 0.000 . 1 . . . . . 14 SER HB2 . 53396 1
125 . 1 . 1 14 14 SER HB3 H 1 3.900 0.000 . 1 . . . . . 14 SER HB3 . 53396 1
126 . 1 . 1 14 14 SER C C 13 174.683 0.000 . 1 . . . . . 14 SER C . 53396 1
127 . 1 . 1 14 14 SER CA C 13 59.066 0.000 . 1 . . . . . 14 SER CA . 53396 1
128 . 1 . 1 14 14 SER CB C 13 64.412 0.000 . 1 . . . . . 14 SER CB . 53396 1
129 . 1 . 1 14 14 SER N N 15 115.410 0.011 . 1 . . . . . 14 SER N . 53396 1
130 . 1 . 1 15 15 ILE H H 1 8.105 0.012 . 1 . . . . . 15 ILE H . 53396 1
131 . 1 . 1 15 15 ILE HA H 1 4.232 0.029 . 1 . . . . . 15 ILE HA . 53396 1
132 . 1 . 1 15 15 ILE HB H 1 1.937 0.000 . 1 . . . . . 15 ILE HB . 53396 1
133 . 1 . 1 15 15 ILE HG12 H 1 1.496 0.000 . 2 . . . . . 15 ILE HG12 . 53396 1
134 . 1 . 1 15 15 ILE HG13 H 1 1.239 0.000 . 2 . . . . . 15 ILE HG13 . 53396 1
135 . 1 . 1 15 15 ILE HG21 H 1 0.943 0.000 . 1 . . . . . 15 ILE HG21 . 53396 1
136 . 1 . 1 15 15 ILE HG22 H 1 0.943 0.000 . 1 . . . . . 15 ILE HG22 . 53396 1
137 . 1 . 1 15 15 ILE HG23 H 1 0.943 0.000 . 1 . . . . . 15 ILE HG23 . 53396 1
138 . 1 . 1 15 15 ILE HD11 H 1 0.899 0.000 . 1 . . . . . 15 ILE HD11 . 53396 1
139 . 1 . 1 15 15 ILE HD12 H 1 0.899 0.000 . 1 . . . . . 15 ILE HD12 . 53396 1
140 . 1 . 1 15 15 ILE HD13 H 1 0.899 0.000 . 1 . . . . . 15 ILE HD13 . 53396 1
141 . 1 . 1 15 15 ILE C C 13 175.660 0.000 . 1 . . . . . 15 ILE C . 53396 1
142 . 1 . 1 15 15 ILE CA C 13 61.850 0.000 . 1 . . . . . 15 ILE CA . 53396 1
143 . 1 . 1 15 15 ILE CB C 13 38.926 0.000 . 1 . . . . . 15 ILE CB . 53396 1
144 . 1 . 1 15 15 ILE CG1 C 13 27.390 0.000 . 1 . . . . . 15 ILE CG1 . 53396 1
145 . 1 . 1 15 15 ILE CG2 C 13 17.701 0.000 . 1 . . . . . 15 ILE CG2 . 53396 1
146 . 1 . 1 15 15 ILE CD1 C 13 13.080 0.000 . 1 . . . . . 15 ILE CD1 . 53396 1
147 . 1 . 1 15 15 ILE N N 15 122.132 0.021 . 1 . . . . . 15 ILE N . 53396 1
148 . 1 . 1 16 16 ARG H H 1 8.307 0.015 . 1 . . . . . 16 ARG H . 53396 1
149 . 1 . 1 16 16 ARG HA H 1 4.632 0.081 . 1 . . . . . 16 ARG HA . 53396 1
150 . 1 . 1 16 16 ARG HB2 H 1 1.824 0.000 . 1 . . . . . 16 ARG HB2 . 53396 1
151 . 1 . 1 16 16 ARG HB3 H 1 1.824 0.000 . 1 . . . . . 16 ARG HB3 . 53396 1
152 . 1 . 1 16 16 ARG HG2 H 1 1.641 0.000 . 1 . . . . . 16 ARG HG2 . 53396 1
153 . 1 . 1 16 16 ARG HG3 H 1 1.641 0.000 . 1 . . . . . 16 ARG HG3 . 53396 1
154 . 1 . 1 16 16 ARG HD2 H 1 3.215 0.000 . 1 . . . . . 16 ARG HD2 . 53396 1
155 . 1 . 1 16 16 ARG HD3 H 1 3.215 0.000 . 1 . . . . . 16 ARG HD3 . 53396 1
156 . 1 . 1 16 16 ARG C C 13 175.475 0.000 . 1 . . . . . 16 ARG C . 53396 1
157 . 1 . 1 16 16 ARG CA C 13 56.485 0.000 . 1 . . . . . 16 ARG CA . 53396 1
158 . 1 . 1 16 16 ARG CB C 13 31.098 0.000 . 1 . . . . . 16 ARG CB . 53396 1
159 . 1 . 1 16 16 ARG CG C 13 27.518 0.000 . 1 . . . . . 16 ARG CG . 53396 1
160 . 1 . 1 16 16 ARG CD C 13 43.411 0.000 . 1 . . . . . 16 ARG CD . 53396 1
161 . 1 . 1 16 16 ARG N N 15 124.573 0.030 . 1 . . . . . 16 ARG N . 53396 1
162 . 1 . 1 17 17 GLU H H 1 8.094 0.008 . 1 . . . . . 17 GLU H . 53396 1
163 . 1 . 1 17 17 GLU HA H 1 4.254 0.020 . 1 . . . . . 17 GLU HA . 53396 1
164 . 1 . 1 17 17 GLU HB2 H 1 1.849 0.000 . 2 . . . . . 17 GLU HB2 . 53396 1
165 . 1 . 1 17 17 GLU HB3 H 1 1.661 0.000 . 2 . . . . . 17 GLU HB3 . 53396 1
166 . 1 . 1 17 17 GLU C C 13 175.540 0.000 . 1 . . . . . 17 GLU C . 53396 1
167 . 1 . 1 17 17 GLU CA C 13 56.505 0.000 . 1 . . . . . 17 GLU CA . 53396 1
168 . 1 . 1 17 17 GLU CB C 13 31.018 0.000 . 1 . . . . . 17 GLU CB . 53396 1
169 . 1 . 1 17 17 GLU N N 15 121.783 0.022 . 1 . . . . . 17 GLU N . 53396 1
170 . 1 . 1 18 18 ALA H H 1 8.112 0.006 . 1 . . . . . 18 ALA H . 53396 1
171 . 1 . 1 18 18 ALA HA H 1 4.324 0.034 . 1 . . . . . 18 ALA HA . 53396 1
172 . 1 . 1 18 18 ALA HB1 H 1 1.464 0.012 . 1 . . . . . 18 ALA HB1 . 53396 1
173 . 1 . 1 18 18 ALA HB2 H 1 1.464 0.012 . 1 . . . . . 18 ALA HB2 . 53396 1
174 . 1 . 1 18 18 ALA HB3 H 1 1.464 0.012 . 1 . . . . . 18 ALA HB3 . 53396 1
175 . 1 . 1 18 18 ALA C C 13 177.535 0.000 . 1 . . . . . 18 ALA C . 53396 1
176 . 1 . 1 18 18 ALA CA C 13 53.329 0.000 . 1 . . . . . 18 ALA CA . 53396 1
177 . 1 . 1 18 18 ALA CB C 13 19.576 0.000 . 1 . . . . . 18 ALA CB . 53396 1
178 . 1 . 1 18 18 ALA N N 15 124.310 0.097 . 1 . . . . . 18 ALA N . 53396 1
179 . 1 . 1 19 19 GLY H H 1 8.364 0.005 . 1 . . . . . 19 GLY H . 53396 1
180 . 1 . 1 19 19 GLY HA2 H 1 4.010 0.008 . 1 . . . . . 19 GLY HA2 . 53396 1
181 . 1 . 1 19 19 GLY HA3 H 1 4.010 0.008 . 1 . . . . . 19 GLY HA3 . 53396 1
182 . 1 . 1 19 19 GLY C C 13 174.204 0.000 . 1 . . . . . 19 GLY C . 53396 1
183 . 1 . 1 19 19 GLY CA C 13 45.647 0.000 . 1 . . . . . 19 GLY CA . 53396 1
184 . 1 . 1 19 19 GLY N N 15 107.921 0.026 . 1 . . . . . 19 GLY N . 53396 1
185 . 1 . 1 20 20 GLY H H 1 8.198 0.009 . 1 . . . . . 20 GLY H . 53396 1
186 . 1 . 1 20 20 GLY HA2 H 1 3.972 0.008 . 1 . . . . . 20 GLY HA2 . 53396 1
187 . 1 . 1 20 20 GLY HA3 H 1 3.972 0.008 . 1 . . . . . 20 GLY HA3 . 53396 1
188 . 1 . 1 20 20 GLY C C 13 173.312 0.000 . 1 . . . . . 20 GLY C . 53396 1
189 . 1 . 1 20 20 GLY CA C 13 45.759 0.000 . 1 . . . . . 20 GLY CA . 53396 1
190 . 1 . 1 20 20 GLY N N 15 108.498 0.035 . 1 . . . . . 20 GLY N . 53396 1
191 . 1 . 1 21 21 ALA H H 1 8.154 0.007 . 1 . . . . . 21 ALA H . 53396 1
192 . 1 . 1 21 21 ALA HA H 1 4.288 0.009 . 1 . . . . . 21 ALA HA . 53396 1
193 . 1 . 1 21 21 ALA HB1 H 1 1.330 0.029 . 1 . . . . . 21 ALA HB1 . 53396 1
194 . 1 . 1 21 21 ALA HB2 H 1 1.330 0.029 . 1 . . . . . 21 ALA HB2 . 53396 1
195 . 1 . 1 21 21 ALA HB3 H 1 1.330 0.029 . 1 . . . . . 21 ALA HB3 . 53396 1
196 . 1 . 1 21 21 ALA C C 13 176.983 0.000 . 1 . . . . . 21 ALA C . 53396 1
197 . 1 . 1 21 21 ALA CA C 13 53.103 0.000 . 1 . . . . . 21 ALA CA . 53396 1
198 . 1 . 1 21 21 ALA CB C 13 19.571 0.000 . 1 . . . . . 21 ALA CB . 53396 1
199 . 1 . 1 21 21 ALA N N 15 123.680 0.001 . 1 . . . . . 21 ALA N . 53396 1
200 . 1 . 1 22 22 PHE H H 1 8.169 0.010 . 1 . . . . . 22 PHE H . 53396 1
201 . 1 . 1 22 22 PHE HA H 1 4.667 0.030 . 1 . . . . . 22 PHE HA . 53396 1
202 . 1 . 1 22 22 PHE HB2 H 1 3.045 0.000 . 2 . . . . . 22 PHE HB2 . 53396 1
203 . 1 . 1 22 22 PHE HB3 H 1 3.234 0.000 . 2 . . . . . 22 PHE HB3 . 53396 1
204 . 1 . 1 22 22 PHE HD1 H 1 7.342 0.000 . 1 . . . . . 22 PHE HD1 . 53396 1
205 . 1 . 1 22 22 PHE HD2 H 1 7.342 0.000 . 1 . . . . . 22 PHE HD2 . 53396 1
206 . 1 . 1 22 22 PHE HE1 H 1 7.306 0.000 . 1 . . . . . 22 PHE HE1 . 53396 1
207 . 1 . 1 22 22 PHE HE2 H 1 7.306 0.000 . 1 . . . . . 22 PHE HE2 . 53396 1
208 . 1 . 1 22 22 PHE HZ H 1 7.396 0.000 . 1 . . . . . 22 PHE HZ . 53396 1
209 . 1 . 1 22 22 PHE C C 13 175.727 0.000 . 1 . . . . . 22 PHE C . 53396 1
210 . 1 . 1 22 22 PHE CA C 13 58.263 0.000 . 1 . . . . . 22 PHE CA . 53396 1
211 . 1 . 1 22 22 PHE CB C 13 39.718 0.000 . 1 . . . . . 22 PHE CB . 53396 1
212 . 1 . 1 22 22 PHE CD1 C 13 130.125 0.000 . 1 . . . . . 22 PHE CD1 . 53396 1
213 . 1 . 1 22 22 PHE CD2 C 13 130.125 0.000 . 1 . . . . . 22 PHE CD2 . 53396 1
214 . 1 . 1 22 22 PHE CE1 C 13 131.768 0.000 . 1 . . . . . 22 PHE CE1 . 53396 1
215 . 1 . 1 22 22 PHE CE2 C 13 131.768 0.000 . 1 . . . . . 22 PHE CE2 . 53396 1
216 . 1 . 1 22 22 PHE CZ C 13 129.875 0.000 . 1 . . . . . 22 PHE CZ . 53396 1
217 . 1 . 1 22 22 PHE N N 15 118.861 0.041 . 1 . . . . . 22 PHE N . 53396 1
218 . 1 . 1 23 23 GLY H H 1 8.238 0.006 . 1 . . . . . 23 GLY H . 53396 1
219 . 1 . 1 23 23 GLY HA2 H 1 3.957 0.014 . 1 . . . . . 23 GLY HA2 . 53396 1
220 . 1 . 1 23 23 GLY HA3 H 1 3.957 0.014 . 1 . . . . . 23 GLY HA3 . 53396 1
221 . 1 . 1 23 23 GLY C C 13 173.406 0.000 . 1 . . . . . 23 GLY C . 53396 1
222 . 1 . 1 23 23 GLY CA C 13 45.972 0.000 . 1 . . . . . 23 GLY CA . 53396 1
223 . 1 . 1 23 23 GLY N N 15 110.011 0.008 . 1 . . . . . 23 GLY N . 53396 1
224 . 1 . 1 24 24 LYS H H 1 8.086 0.009 . 1 . . . . . 24 LYS H . 53396 1
225 . 1 . 1 24 24 LYS HA H 1 4.372 0.023 . 1 . . . . . 24 LYS HA . 53396 1
226 . 1 . 1 24 24 LYS HB2 H 1 1.826 0.000 . 1 . . . . . 24 LYS HB2 . 53396 1
227 . 1 . 1 24 24 LYS HB3 H 1 1.826 0.000 . 1 . . . . . 24 LYS HB3 . 53396 1
228 . 1 . 1 24 24 LYS HG2 H 1 1.460 0.000 . 1 . . . . . 24 LYS HG2 . 53396 1
229 . 1 . 1 24 24 LYS HG3 H 1 1.460 0.000 . 1 . . . . . 24 LYS HG3 . 53396 1
230 . 1 . 1 24 24 LYS C C 13 176.151 0.000 . 1 . . . . . 24 LYS C . 53396 1
231 . 1 . 1 24 24 LYS CA C 13 57.372 0.000 . 1 . . . . . 24 LYS CA . 53396 1
232 . 1 . 1 24 24 LYS CB C 13 33.451 0.000 . 1 . . . . . 24 LYS CB . 53396 1
233 . 1 . 1 24 24 LYS N N 15 121.010 0.043 . 1 . . . . . 24 LYS N . 53396 1
234 . 1 . 1 25 25 ARG H H 1 8.382 0.007 . 1 . . . . . 25 ARG H . 53396 1
235 . 1 . 1 25 25 ARG HA H 1 4.339 0.000 . 1 . . . . . 25 ARG HA . 53396 1
236 . 1 . 1 25 25 ARG HB2 H 1 1.862 0.000 . 1 . . . . . 25 ARG HB2 . 53396 1
237 . 1 . 1 25 25 ARG HB3 H 1 1.862 0.000 . 1 . . . . . 25 ARG HB3 . 53396 1
238 . 1 . 1 25 25 ARG HG2 H 1 1.667 0.000 . 1 . . . . . 25 ARG HG2 . 53396 1
239 . 1 . 1 25 25 ARG HG3 H 1 1.667 0.000 . 1 . . . . . 25 ARG HG3 . 53396 1
240 . 1 . 1 25 25 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 25 ARG HD2 . 53396 1
241 . 1 . 1 25 25 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 25 ARG HD3 . 53396 1
242 . 1 . 1 25 25 ARG C C 13 175.903 0.000 . 1 . . . . . 25 ARG C . 53396 1
243 . 1 . 1 25 25 ARG CA C 13 56.803 0.000 . 1 . . . . . 25 ARG CA . 53396 1
244 . 1 . 1 25 25 ARG CB C 13 30.930 0.000 . 1 . . . . . 25 ARG CB . 53396 1
245 . 1 . 1 25 25 ARG CG C 13 27.518 0.000 . 1 . . . . . 25 ARG CG . 53396 1
246 . 1 . 1 25 25 ARG CD C 13 43.292 0.000 . 1 . . . . . 25 ARG CD . 53396 1
247 . 1 . 1 25 25 ARG N N 15 122.658 0.086 . 1 . . . . . 25 ARG N . 53396 1
248 . 1 . 1 26 26 GLU H H 1 8.526 0.008 . 1 . . . . . 26 GLU H . 53396 1
249 . 1 . 1 26 26 GLU HA H 1 4.311 0.008 . 1 . . . . . 26 GLU HA . 53396 1
250 . 1 . 1 26 26 GLU HB2 H 1 2.009 0.000 . 1 . . . . . 26 GLU HB2 . 53396 1
251 . 1 . 1 26 26 GLU HB3 H 1 2.009 0.000 . 1 . . . . . 26 GLU HB3 . 53396 1
252 . 1 . 1 26 26 GLU HG2 H 1 2.326 0.000 . 1 . . . . . 26 GLU HG2 . 53396 1
253 . 1 . 1 26 26 GLU HG3 H 1 2.326 0.000 . 1 . . . . . 26 GLU HG3 . 53396 1
254 . 1 . 1 26 26 GLU C C 13 176.054 0.000 . 1 . . . . . 26 GLU C . 53396 1
255 . 1 . 1 26 26 GLU CA C 13 57.476 0.000 . 1 . . . . . 26 GLU CA . 53396 1
256 . 1 . 1 26 26 GLU CB C 13 30.425 0.000 . 1 . . . . . 26 GLU CB . 53396 1
257 . 1 . 1 26 26 GLU CG C 13 36.127 0.000 . 1 . . . . . 26 GLU CG . 53396 1
258 . 1 . 1 26 26 GLU N N 15 122.038 0.061 . 1 . . . . . 26 GLU N . 53396 1
259 . 1 . 1 27 27 GLN H H 1 8.357 0.009 . 1 . . . . . 27 GLN H . 53396 1
260 . 1 . 1 27 27 GLN HA H 1 4.299 0.016 . 1 . . . . . 27 GLN HA . 53396 1
261 . 1 . 1 27 27 GLN HB2 H 1 2.081 0.012 . 1 . . . . . 27 GLN HB2 . 53396 1
262 . 1 . 1 27 27 GLN HB3 H 1 2.081 0.012 . 1 . . . . . 27 GLN HB3 . 53396 1
263 . 1 . 1 27 27 GLN HG2 H 1 2.391 0.000 . 1 . . . . . 27 GLN HG2 . 53396 1
264 . 1 . 1 27 27 GLN HG3 H 1 2.391 0.000 . 1 . . . . . 27 GLN HG3 . 53396 1
265 . 1 . 1 27 27 GLN HE21 H 1 7.513 0.000 . 1 . . . . . 27 GLN HE21 . 53396 1
266 . 1 . 1 27 27 GLN HE22 H 1 6.830 0.000 . 1 . . . . . 27 GLN HE22 . 53396 1
267 . 1 . 1 27 27 GLN C C 13 175.578 0.000 . 1 . . . . . 27 GLN C . 53396 1
268 . 1 . 1 27 27 GLN CA C 13 57.094 0.000 . 1 . . . . . 27 GLN CA . 53396 1
269 . 1 . 1 27 27 GLN CB C 13 29.956 0.000 . 1 . . . . . 27 GLN CB . 53396 1
270 . 1 . 1 27 27 GLN CG C 13 36.189 0.000 . 1 . . . . . 27 GLN CG . 53396 1
271 . 1 . 1 27 27 GLN CD C 13 180.040 0.000 . 1 . . . . . 27 GLN CD . 53396 1
272 . 1 . 1 27 27 GLN N N 15 121.367 0.114 . 1 . . . . . 27 GLN N . 53396 1
273 . 1 . 1 27 27 GLN NE2 N 15 112.377 0.005 . 1 . . . . . 27 GLN NE2 . 53396 1
274 . 1 . 1 28 28 ALA H H 1 8.319 0.008 . 1 . . . . . 28 ALA H . 53396 1
275 . 1 . 1 28 28 ALA HA H 1 4.335 0.036 . 1 . . . . . 28 ALA HA . 53396 1
276 . 1 . 1 28 28 ALA HB1 H 1 1.484 0.023 . 1 . . . . . 28 ALA HB1 . 53396 1
277 . 1 . 1 28 28 ALA HB2 H 1 1.484 0.023 . 1 . . . . . 28 ALA HB2 . 53396 1
278 . 1 . 1 28 28 ALA HB3 H 1 1.484 0.023 . 1 . . . . . 28 ALA HB3 . 53396 1
279 . 1 . 1 28 28 ALA C C 13 177.665 0.000 . 1 . . . . . 28 ALA C . 53396 1
280 . 1 . 1 28 28 ALA CA C 13 53.168 0.000 . 1 . . . . . 28 ALA CA . 53396 1
281 . 1 . 1 28 28 ALA CB C 13 19.785 0.000 . 1 . . . . . 28 ALA CB . 53396 1
282 . 1 . 1 28 28 ALA N N 15 125.072 0.008 . 1 . . . . . 28 ALA N . 53396 1
283 . 1 . 1 29 29 GLU H H 1 8.315 0.004 . 1 . . . . . 29 GLU H . 53396 1
284 . 1 . 1 29 29 GLU HA H 1 4.237 0.003 . 1 . . . . . 29 GLU HA . 53396 1
285 . 1 . 1 29 29 GLU HB2 H 1 2.069 0.000 . 1 . . . . . 29 GLU HB2 . 53396 1
286 . 1 . 1 29 29 GLU HB3 H 1 2.069 0.000 . 1 . . . . . 29 GLU HB3 . 53396 1
287 . 1 . 1 29 29 GLU HG2 H 1 2.322 0.000 . 1 . . . . . 29 GLU HG2 . 53396 1
288 . 1 . 1 29 29 GLU HG3 H 1 2.322 0.000 . 1 . . . . . 29 GLU HG3 . 53396 1
289 . 1 . 1 29 29 GLU C C 13 176.531 0.000 . 1 . . . . . 29 GLU C . 53396 1
290 . 1 . 1 29 29 GLU CA C 13 57.701 0.000 . 1 . . . . . 29 GLU CA . 53396 1
291 . 1 . 1 29 29 GLU CB C 13 30.260 0.000 . 1 . . . . . 29 GLU CB . 53396 1
292 . 1 . 1 29 29 GLU CG C 13 36.127 0.000 . 1 . . . . . 29 GLU CG . 53396 1
293 . 1 . 1 29 29 GLU N N 15 119.508 0.050 . 1 . . . . . 29 GLU N . 53396 1
294 . 1 . 1 30 30 GLU H H 1 8.248 0.011 . 1 . . . . . 30 GLU H . 53396 1
295 . 1 . 1 30 30 GLU HA H 1 4.204 0.005 . 1 . . . . . 30 GLU HA . 53396 1
296 . 1 . 1 30 30 GLU HB2 H 1 2.027 0.009 . 1 . . . . . 30 GLU HB2 . 53396 1
297 . 1 . 1 30 30 GLU HB3 H 1 2.027 0.009 . 1 . . . . . 30 GLU HB3 . 53396 1
298 . 1 . 1 30 30 GLU HG2 H 1 2.323 0.000 . 1 . . . . . 30 GLU HG2 . 53396 1
299 . 1 . 1 30 30 GLU HG3 H 1 2.323 0.000 . 1 . . . . . 30 GLU HG3 . 53396 1
300 . 1 . 1 30 30 GLU C C 13 176.495 0.000 . 1 . . . . . 30 GLU C . 53396 1
301 . 1 . 1 30 30 GLU CA C 13 57.867 0.000 . 1 . . . . . 30 GLU CA . 53396 1
302 . 1 . 1 30 30 GLU CB C 13 30.328 0.000 . 1 . . . . . 30 GLU CB . 53396 1
303 . 1 . 1 30 30 GLU CG C 13 36.127 0.000 . 1 . . . . . 30 GLU CG . 53396 1
304 . 1 . 1 30 30 GLU N N 15 120.837 0.130 . 1 . . . . . 30 GLU N . 53396 1
305 . 1 . 1 31 31 GLU H H 1 7.970 0.008 . 1 . . . . . 31 GLU H . 53396 1
306 . 1 . 1 31 31 GLU HA H 1 4.180 0.024 . 1 . . . . . 31 GLU HA . 53396 1
307 . 1 . 1 31 31 GLU HB2 H 1 2.132 0.000 . 1 . . . . . 31 GLU HB2 . 53396 1
308 . 1 . 1 31 31 GLU HB3 H 1 2.132 0.000 . 1 . . . . . 31 GLU HB3 . 53396 1
309 . 1 . 1 31 31 GLU HG2 H 1 2.337 0.000 . 1 . . . . . 31 GLU HG2 . 53396 1
310 . 1 . 1 31 31 GLU HG3 H 1 2.337 0.000 . 1 . . . . . 31 GLU HG3 . 53396 1
311 . 1 . 1 31 31 GLU C C 13 176.162 0.000 . 1 . . . . . 31 GLU C . 53396 1
312 . 1 . 1 31 31 GLU CA C 13 57.716 0.000 . 1 . . . . . 31 GLU CA . 53396 1
313 . 1 . 1 31 31 GLU CB C 13 30.848 0.000 . 1 . . . . . 31 GLU CB . 53396 1
314 . 1 . 1 31 31 GLU CG C 13 36.094 0.000 . 1 . . . . . 31 GLU CG . 53396 1
315 . 1 . 1 31 31 GLU N N 15 119.432 0.031 . 1 . . . . . 31 GLU N . 53396 1
316 . 1 . 1 32 32 ARG H H 1 8.041 0.006 . 1 . . . . . 32 ARG H . 53396 1
317 . 1 . 1 32 32 ARG HA H 1 4.156 0.000 . 1 . . . . . 32 ARG HA . 53396 1
318 . 1 . 1 32 32 ARG HB2 H 1 1.779 0.035 . 1 . . . . . 32 ARG HB2 . 53396 1
319 . 1 . 1 32 32 ARG HB3 H 1 1.779 0.035 . 1 . . . . . 32 ARG HB3 . 53396 1
320 . 1 . 1 32 32 ARG HG2 H 1 1.531 0.000 . 1 . . . . . 32 ARG HG2 . 53396 1
321 . 1 . 1 32 32 ARG HG3 H 1 1.531 0.000 . 1 . . . . . 32 ARG HG3 . 53396 1
322 . 1 . 1 32 32 ARG HD2 H 1 3.189 0.000 . 1 . . . . . 32 ARG HD2 . 53396 1
323 . 1 . 1 32 32 ARG HD3 H 1 3.189 0.000 . 1 . . . . . 32 ARG HD3 . 53396 1
324 . 1 . 1 32 32 ARG C C 13 175.494 0.000 . 1 . . . . . 32 ARG C . 53396 1
325 . 1 . 1 32 32 ARG CA C 13 59.271 0.000 . 1 . . . . . 32 ARG CA . 53396 1
326 . 1 . 1 32 32 ARG CB C 13 31.033 0.000 . 1 . . . . . 32 ARG CB . 53396 1
327 . 1 . 1 32 32 ARG CG C 13 27.518 0.000 . 1 . . . . . 32 ARG CG . 53396 1
328 . 1 . 1 32 32 ARG CD C 13 43.411 0.000 . 1 . . . . . 32 ARG CD . 53396 1
329 . 1 . 1 32 32 ARG N N 15 120.101 0.001 . 1 . . . . . 32 ARG N . 53396 1
330 . 1 . 1 33 33 TYR H H 1 8.101 0.004 . 1 . . . . . 33 TYR H . 53396 1
331 . 1 . 1 33 33 TYR HA H 1 4.523 0.006 . 1 . . . . . 33 TYR HA . 53396 1
332 . 1 . 1 33 33 TYR HB2 H 1 3.012 0.000 . 2 . . . . . 33 TYR HB2 . 53396 1
333 . 1 . 1 33 33 TYR HB3 H 1 3.232 0.000 . 2 . . . . . 33 TYR HB3 . 53396 1
334 . 1 . 1 33 33 TYR HD1 H 1 7.050 0.000 . 1 . . . . . 33 TYR HD1 . 53396 1
335 . 1 . 1 33 33 TYR HD2 H 1 7.050 0.000 . 1 . . . . . 33 TYR HD2 . 53396 1
336 . 1 . 1 33 33 TYR HE1 H 1 6.823 0.000 . 1 . . . . . 33 TYR HE1 . 53396 1
337 . 1 . 1 33 33 TYR HE2 H 1 6.823 0.000 . 1 . . . . . 33 TYR HE2 . 53396 1
338 . 1 . 1 33 33 TYR C C 13 175.447 0.000 . 1 . . . . . 33 TYR C . 53396 1
339 . 1 . 1 33 33 TYR CA C 13 58.550 0.000 . 1 . . . . . 33 TYR CA . 53396 1
340 . 1 . 1 33 33 TYR CB C 13 39.521 0.000 . 1 . . . . . 33 TYR CB . 53396 1
341 . 1 . 1 33 33 TYR CD1 C 13 133.273 0.000 . 1 . . . . . 33 TYR CD1 . 53396 1
342 . 1 . 1 33 33 TYR CD2 C 13 133.273 0.000 . 1 . . . . . 33 TYR CD2 . 53396 1
343 . 1 . 1 33 33 TYR CE1 C 13 118.322 0.000 . 1 . . . . . 33 TYR CE1 . 53396 1
344 . 1 . 1 33 33 TYR CE2 C 13 118.322 0.000 . 1 . . . . . 33 TYR CE2 . 53396 1
345 . 1 . 1 33 33 TYR N N 15 121.299 0.002 . 1 . . . . . 33 TYR N . 53396 1
346 . 1 . 1 34 34 PHE H H 1 8.069 0.007 . 1 . . . . . 34 PHE H . 53396 1
347 . 1 . 1 34 34 PHE HA H 1 4.551 0.000 . 1 . . . . . 34 PHE HA . 53396 1
348 . 1 . 1 34 34 PHE HB2 H 1 3.160 0.006 . 1 . . . . . 34 PHE HB2 . 53396 1
349 . 1 . 1 34 34 PHE HB3 H 1 3.160 0.006 . 1 . . . . . 34 PHE HB3 . 53396 1
350 . 1 . 1 34 34 PHE HD1 H 1 7.333 0.000 . 1 . . . . . 34 PHE HD1 . 53396 1
351 . 1 . 1 34 34 PHE HD2 H 1 7.333 0.000 . 1 . . . . . 34 PHE HD2 . 53396 1
352 . 1 . 1 34 34 PHE HE1 H 1 7.400 0.000 . 1 . . . . . 34 PHE HE1 . 53396 1
353 . 1 . 1 34 34 PHE HE2 H 1 7.400 0.000 . 1 . . . . . 34 PHE HE2 . 53396 1
354 . 1 . 1 34 34 PHE C C 13 174.102 0.000 . 1 . . . . . 34 PHE C . 53396 1
355 . 1 . 1 34 34 PHE CA C 13 56.765 0.000 . 1 . . . . . 34 PHE CA . 53396 1
356 . 1 . 1 34 34 PHE CB C 13 39.588 0.000 . 1 . . . . . 34 PHE CB . 53396 1
357 . 1 . 1 34 34 PHE CD1 C 13 132.181 0.000 . 1 . . . . . 34 PHE CD1 . 53396 1
358 . 1 . 1 34 34 PHE CD2 C 13 132.181 0.000 . 1 . . . . . 34 PHE CD2 . 53396 1
359 . 1 . 1 34 34 PHE CE1 C 13 132.195 0.000 . 1 . . . . . 34 PHE CE1 . 53396 1
360 . 1 . 1 34 34 PHE CE2 C 13 132.195 0.000 . 1 . . . . . 34 PHE CE2 . 53396 1
361 . 1 . 1 34 34 PHE N N 15 120.736 0.059 . 1 . . . . . 34 PHE N . 53396 1
362 . 1 . 1 35 35 ARG H H 1 8.171 0.008 . 1 . . . . . 35 ARG H . 53396 1
363 . 1 . 1 35 35 ARG HA H 1 4.248 0.000 . 1 . . . . . 35 ARG HA . 53396 1
364 . 1 . 1 35 35 ARG HB2 H 1 1.735 0.000 . 1 . . . . . 35 ARG HB2 . 53396 1
365 . 1 . 1 35 35 ARG HB3 H 1 1.735 0.000 . 1 . . . . . 35 ARG HB3 . 53396 1
366 . 1 . 1 35 35 ARG HG2 H 1 1.529 0.000 . 1 . . . . . 35 ARG HG2 . 53396 1
367 . 1 . 1 35 35 ARG HG3 H 1 1.529 0.000 . 1 . . . . . 35 ARG HG3 . 53396 1
368 . 1 . 1 35 35 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 35 ARG HD2 . 53396 1
369 . 1 . 1 35 35 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 35 ARG HD3 . 53396 1
370 . 1 . 1 35 35 ARG C C 13 175.464 0.000 . 1 . . . . . 35 ARG C . 53396 1
371 . 1 . 1 35 35 ARG CA C 13 57.139 0.000 . 1 . . . . . 35 ARG CA . 53396 1
372 . 1 . 1 35 35 ARG CB C 13 29.739 0.000 . 1 . . . . . 35 ARG CB . 53396 1
373 . 1 . 1 35 35 ARG CG C 13 27.518 0.000 . 1 . . . . . 35 ARG CG . 53396 1
374 . 1 . 1 35 35 ARG CD C 13 43.292 0.000 . 1 . . . . . 35 ARG CD . 53396 1
375 . 1 . 1 35 35 ARG N N 15 122.271 0.001 . 1 . . . . . 35 ARG N . 53396 1
376 . 1 . 1 36 36 ALA H H 1 8.322 0.008 . 1 . . . . . 36 ALA H . 53396 1
377 . 1 . 1 36 36 ALA HA H 1 4.318 0.010 . 1 . . . . . 36 ALA HA . 53396 1
378 . 1 . 1 36 36 ALA HB1 H 1 1.467 0.004 . 1 . . . . . 36 ALA HB1 . 53396 1
379 . 1 . 1 36 36 ALA HB2 H 1 1.467 0.004 . 1 . . . . . 36 ALA HB2 . 53396 1
380 . 1 . 1 36 36 ALA HB3 H 1 1.467 0.004 . 1 . . . . . 36 ALA HB3 . 53396 1
381 . 1 . 1 36 36 ALA C C 13 177.314 0.000 . 1 . . . . . 36 ALA C . 53396 1
382 . 1 . 1 36 36 ALA CA C 13 53.460 0.000 . 1 . . . . . 36 ALA CA . 53396 1
383 . 1 . 1 36 36 ALA CB C 13 19.391 0.000 . 1 . . . . . 36 ALA CB . 53396 1
384 . 1 . 1 36 36 ALA N N 15 124.450 0.008 . 1 . . . . . 36 ALA N . 53396 1
385 . 1 . 1 37 37 GLN H H 1 8.223 0.027 . 1 . . . . . 37 GLN H . 53396 1
386 . 1 . 1 37 37 GLN HA H 1 4.321 0.000 . 1 . . . . . 37 GLN HA . 53396 1
387 . 1 . 1 37 37 GLN HB2 H 1 2.008 0.020 . 1 . . . . . 37 GLN HB2 . 53396 1
388 . 1 . 1 37 37 GLN HB3 H 1 2.008 0.020 . 1 . . . . . 37 GLN HB3 . 53396 1
389 . 1 . 1 37 37 GLN HG2 H 1 2.345 0.000 . 1 . . . . . 37 GLN HG2 . 53396 1
390 . 1 . 1 37 37 GLN HG3 H 1 2.345 0.000 . 1 . . . . . 37 GLN HG3 . 53396 1
391 . 1 . 1 37 37 GLN HE21 H 1 7.558 0.000 . 1 . . . . . 37 GLN HE21 . 53396 1
392 . 1 . 1 37 37 GLN HE22 H 1 6.824 0.000 . 1 . . . . . 37 GLN HE22 . 53396 1
393 . 1 . 1 37 37 GLN C C 13 175.699 0.000 . 1 . . . . . 37 GLN C . 53396 1
394 . 1 . 1 37 37 GLN CA C 13 56.740 0.000 . 1 . . . . . 37 GLN CA . 53396 1
395 . 1 . 1 37 37 GLN CB C 13 30.061 0.000 . 1 . . . . . 37 GLN CB . 53396 1
396 . 1 . 1 37 37 GLN CG C 13 36.169 0.000 . 1 . . . . . 37 GLN CG . 53396 1
397 . 1 . 1 37 37 GLN CD C 13 179.741 0.000 . 1 . . . . . 37 GLN CD . 53396 1
398 . 1 . 1 37 37 GLN N N 15 118.639 0.009 . 1 . . . . . 37 GLN N . 53396 1
399 . 1 . 1 37 37 GLN NE2 N 15 112.018 0.011 . 1 . . . . . 37 GLN NE2 . 53396 1
400 . 1 . 1 38 38 SER H H 1 8.278 0.009 . 1 . . . . . 38 SER H . 53396 1
401 . 1 . 1 38 38 SER HA H 1 4.522 0.049 . 1 . . . . . 38 SER HA . 53396 1
402 . 1 . 1 38 38 SER HB2 H 1 4.129 0.000 . 2 . . . . . 38 SER HB2 . 53396 1
403 . 1 . 1 38 38 SER HB3 H 1 3.994 0.000 . 2 . . . . . 38 SER HB3 . 53396 1
404 . 1 . 1 38 38 SER C C 13 174.586 0.000 . 1 . . . . . 38 SER C . 53396 1
405 . 1 . 1 38 38 SER CA C 13 59.177 0.000 . 1 . . . . . 38 SER CA . 53396 1
406 . 1 . 1 38 38 SER CB C 13 64.589 0.000 . 1 . . . . . 38 SER CB . 53396 1
407 . 1 . 1 38 38 SER N N 15 116.351 0.001 . 1 . . . . . 38 SER N . 53396 1
408 . 1 . 1 39 39 ARG H H 1 8.561 0.022 . 1 . . . . . 39 ARG H . 53396 1
409 . 1 . 1 39 39 ARG HA H 1 4.181 0.031 . 1 . . . . . 39 ARG HA . 53396 1
410 . 1 . 1 39 39 ARG HB2 H 1 1.958 0.028 . 1 . . . . . 39 ARG HB2 . 53396 1
411 . 1 . 1 39 39 ARG HB3 H 1 1.958 0.028 . 1 . . . . . 39 ARG HB3 . 53396 1
412 . 1 . 1 39 39 ARG HG2 H 1 1.743 0.000 . 1 . . . . . 39 ARG HG2 . 53396 1
413 . 1 . 1 39 39 ARG HG3 H 1 1.743 0.000 . 1 . . . . . 39 ARG HG3 . 53396 1
414 . 1 . 1 39 39 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 39 ARG HD2 . 53396 1
415 . 1 . 1 39 39 ARG HD3 H 1 3.229 0.000 . 1 . . . . . 39 ARG HD3 . 53396 1
416 . 1 . 1 39 39 ARG C C 13 177.637 0.000 . 1 . . . . . 39 ARG C . 53396 1
417 . 1 . 1 39 39 ARG CA C 13 58.730 0.000 . 1 . . . . . 39 ARG CA . 53396 1
418 . 1 . 1 39 39 ARG CB C 13 30.288 0.000 . 1 . . . . . 39 ARG CB . 53396 1
419 . 1 . 1 39 39 ARG CG C 13 27.075 0.000 . 1 . . . . . 39 ARG CG . 53396 1
420 . 1 . 1 39 39 ARG CD C 13 43.292 0.000 . 1 . . . . . 39 ARG CD . 53396 1
421 . 1 . 1 39 39 ARG N N 15 122.418 0.035 . 1 . . . . . 39 ARG N . 53396 1
422 . 1 . 1 40 40 GLU H H 1 8.340 0.006 . 1 . . . . . 40 GLU H . 53396 1
423 . 1 . 1 40 40 GLU HA H 1 3.411 0.035 . 1 . . . . . 40 GLU HA . 53396 1
424 . 1 . 1 40 40 GLU HB2 H 1 2.017 0.066 . 1 . . . . . 40 GLU HB2 . 53396 1
425 . 1 . 1 40 40 GLU HB3 H 1 2.017 0.066 . 1 . . . . . 40 GLU HB3 . 53396 1
426 . 1 . 1 40 40 GLU HG2 H 1 2.328 0.000 . 1 . . . . . 40 GLU HG2 . 53396 1
427 . 1 . 1 40 40 GLU HG3 H 1 2.328 0.000 . 1 . . . . . 40 GLU HG3 . 53396 1
428 . 1 . 1 40 40 GLU C C 13 176.382 0.000 . 1 . . . . . 40 GLU C . 53396 1
429 . 1 . 1 40 40 GLU CA C 13 57.990 0.000 . 1 . . . . . 40 GLU CA . 53396 1
430 . 1 . 1 40 40 GLU CB C 13 28.285 0.000 . 1 . . . . . 40 GLU CB . 53396 1
431 . 1 . 1 40 40 GLU CG C 13 36.094 0.000 . 1 . . . . . 40 GLU CG . 53396 1
432 . 1 . 1 40 40 GLU N N 15 117.798 0.060 . 1 . . . . . 40 GLU N . 53396 1
433 . 1 . 1 41 41 GLN H H 1 8.726 0.003 . 1 . . . . . 41 GLN H . 53396 1
434 . 1 . 1 41 41 GLN HA H 1 4.225 0.013 . 1 . . . . . 41 GLN HA . 53396 1
435 . 1 . 1 41 41 GLN HB2 H 1 2.170 0.000 . 1 . . . . . 41 GLN HB2 . 53396 1
436 . 1 . 1 41 41 GLN HB3 H 1 2.170 0.000 . 1 . . . . . 41 GLN HB3 . 53396 1
437 . 1 . 1 41 41 GLN HG2 H 1 2.345 0.000 . 1 . . . . . 41 GLN HG2 . 53396 1
438 . 1 . 1 41 41 GLN HG3 H 1 2.345 0.000 . 1 . . . . . 41 GLN HG3 . 53396 1
439 . 1 . 1 41 41 GLN HE21 H 1 7.389 0.000 . 1 . . . . . 41 GLN HE21 . 53396 1
440 . 1 . 1 41 41 GLN HE22 H 1 6.730 0.000 . 1 . . . . . 41 GLN HE22 . 53396 1
441 . 1 . 1 41 41 GLN C C 13 177.509 0.000 . 1 . . . . . 41 GLN C . 53396 1
442 . 1 . 1 41 41 GLN CA C 13 58.090 0.000 . 1 . . . . . 41 GLN CA . 53396 1
443 . 1 . 1 41 41 GLN CB C 13 29.323 0.000 . 1 . . . . . 41 GLN CB . 53396 1
444 . 1 . 1 41 41 GLN CG C 13 34.037 0.000 . 1 . . . . . 41 GLN CG . 53396 1
445 . 1 . 1 41 41 GLN CD C 13 179.470 0.000 . 1 . . . . . 41 GLN CD . 53396 1
446 . 1 . 1 41 41 GLN N N 15 118.380 0.000 . 1 . . . . . 41 GLN N . 53396 1
447 . 1 . 1 41 41 GLN NE2 N 15 111.627 0.000 . 1 . . . . . 41 GLN NE2 . 53396 1
448 . 1 . 1 42 42 LEU H H 1 8.176 0.008 . 1 . . . . . 42 LEU H . 53396 1
449 . 1 . 1 42 42 LEU HA H 1 4.208 0.005 . 1 . . . . . 42 LEU HA . 53396 1
450 . 1 . 1 42 42 LEU HB2 H 1 1.740 0.006 . 1 . . . . . 42 LEU HB2 . 53396 1
451 . 1 . 1 42 42 LEU HB3 H 1 1.740 0.006 . 1 . . . . . 42 LEU HB3 . 53396 1
452 . 1 . 1 42 42 LEU HG H 1 1.722 0.000 . 1 . . . . . 42 LEU HG . 53396 1
453 . 1 . 1 42 42 LEU HD11 H 1 0.956 0.000 . 2 . . . . . 42 LEU HD11 . 53396 1
454 . 1 . 1 42 42 LEU HD12 H 1 0.956 0.000 . 2 . . . . . 42 LEU HD12 . 53396 1
455 . 1 . 1 42 42 LEU HD13 H 1 0.956 0.000 . 2 . . . . . 42 LEU HD13 . 53396 1
456 . 1 . 1 42 42 LEU HD21 H 1 0.935 0.000 . 2 . . . . . 42 LEU HD21 . 53396 1
457 . 1 . 1 42 42 LEU HD22 H 1 0.935 0.000 . 2 . . . . . 42 LEU HD22 . 53396 1
458 . 1 . 1 42 42 LEU HD23 H 1 0.935 0.000 . 2 . . . . . 42 LEU HD23 . 53396 1
459 . 1 . 1 42 42 LEU C C 13 178.118 0.000 . 1 . . . . . 42 LEU C . 53396 1
460 . 1 . 1 42 42 LEU CA C 13 57.690 0.000 . 1 . . . . . 42 LEU CA . 53396 1
461 . 1 . 1 42 42 LEU CB C 13 42.184 0.000 . 1 . . . . . 42 LEU CB . 53396 1
462 . 1 . 1 42 42 LEU CG C 13 27.227 0.000 . 1 . . . . . 42 LEU CG . 53396 1
463 . 1 . 1 42 42 LEU CD1 C 13 24.970 0.000 . 2 . . . . . 42 LEU CD1 . 53396 1
464 . 1 . 1 42 42 LEU CD2 C 13 23.889 0.000 . 2 . . . . . 42 LEU CD2 . 53396 1
465 . 1 . 1 42 42 LEU N N 15 121.339 0.010 . 1 . . . . . 42 LEU N . 53396 1
466 . 1 . 1 43 43 ALA H H 1 8.127 0.007 . 1 . . . . . 43 ALA H . 53396 1
467 . 1 . 1 43 43 ALA HA H 1 4.215 0.009 . 1 . . . . . 43 ALA HA . 53396 1
468 . 1 . 1 43 43 ALA HB1 H 1 1.518 0.017 . 1 . . . . . 43 ALA HB1 . 53396 1
469 . 1 . 1 43 43 ALA HB2 H 1 1.518 0.017 . 1 . . . . . 43 ALA HB2 . 53396 1
470 . 1 . 1 43 43 ALA HB3 H 1 1.518 0.017 . 1 . . . . . 43 ALA HB3 . 53396 1
471 . 1 . 1 43 43 ALA C C 13 179.147 0.000 . 1 . . . . . 43 ALA C . 53396 1
472 . 1 . 1 43 43 ALA CA C 13 54.750 0.000 . 1 . . . . . 43 ALA CA . 53396 1
473 . 1 . 1 43 43 ALA CB C 13 18.675 0.000 . 1 . . . . . 43 ALA CB . 53396 1
474 . 1 . 1 43 43 ALA N N 15 122.460 0.001 . 1 . . . . . 43 ALA N . 53396 1
475 . 1 . 1 44 44 ALA H H 1 7.877 0.061 . 1 . . . . . 44 ALA H . 53396 1
476 . 1 . 1 44 44 ALA HA H 1 4.202 0.039 . 1 . . . . . 44 ALA HA . 53396 1
477 . 1 . 1 44 44 ALA HB1 H 1 1.477 0.025 . 1 . . . . . 44 ALA HB1 . 53396 1
478 . 1 . 1 44 44 ALA HB2 H 1 1.477 0.025 . 1 . . . . . 44 ALA HB2 . 53396 1
479 . 1 . 1 44 44 ALA HB3 H 1 1.477 0.025 . 1 . . . . . 44 ALA HB3 . 53396 1
480 . 1 . 1 44 44 ALA C C 13 178.956 0.000 . 1 . . . . . 44 ALA C . 53396 1
481 . 1 . 1 44 44 ALA CA C 13 54.570 0.000 . 1 . . . . . 44 ALA CA . 53396 1
482 . 1 . 1 44 44 ALA CB C 13 18.734 0.000 . 1 . . . . . 44 ALA CB . 53396 1
483 . 1 . 1 44 44 ALA N N 15 121.330 0.002 . 1 . . . . . 44 ALA N . 53396 1
484 . 1 . 1 45 45 LEU H H 1 7.905 0.040 . 1 . . . . . 45 LEU H . 53396 1
485 . 1 . 1 45 45 LEU HA H 1 4.164 0.020 . 1 . . . . . 45 LEU HA . 53396 1
486 . 1 . 1 45 45 LEU HB2 H 1 1.750 0.023 . 1 . . . . . 45 LEU HB2 . 53396 1
487 . 1 . 1 45 45 LEU HB3 H 1 1.750 0.023 . 1 . . . . . 45 LEU HB3 . 53396 1
488 . 1 . 1 45 45 LEU HG H 1 1.726 0.000 . 1 . . . . . 45 LEU HG . 53396 1
489 . 1 . 1 45 45 LEU HD11 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD11 . 53396 1
490 . 1 . 1 45 45 LEU HD12 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD12 . 53396 1
491 . 1 . 1 45 45 LEU HD13 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD13 . 53396 1
492 . 1 . 1 45 45 LEU HD21 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD21 . 53396 1
493 . 1 . 1 45 45 LEU HD22 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD22 . 53396 1
494 . 1 . 1 45 45 LEU HD23 H 1 0.946 0.000 . 2 . . . . . 45 LEU HD23 . 53396 1
495 . 1 . 1 45 45 LEU C C 13 177.971 0.000 . 1 . . . . . 45 LEU C . 53396 1
496 . 1 . 1 45 45 LEU CA C 13 57.640 0.000 . 1 . . . . . 45 LEU CA . 53396 1
497 . 1 . 1 45 45 LEU CB C 13 42.961 0.000 . 1 . . . . . 45 LEU CB . 53396 1
498 . 1 . 1 45 45 LEU CG C 13 27.179 0.000 . 1 . . . . . 45 LEU CG . 53396 1
499 . 1 . 1 45 45 LEU CD1 C 13 25.064 0.000 . 2 . . . . . 45 LEU CD1 . 53396 1
500 . 1 . 1 45 45 LEU CD2 C 13 23.983 0.000 . 2 . . . . . 45 LEU CD2 . 53396 1
501 . 1 . 1 45 45 LEU N N 15 120.628 0.002 . 1 . . . . . 45 LEU N . 53396 1
502 . 1 . 1 46 46 LYS H H 1 8.013 0.019 . 1 . . . . . 46 LYS H . 53396 1
503 . 1 . 1 46 46 LYS HA H 1 4.269 0.059 . 1 . . . . . 46 LYS HA . 53396 1
504 . 1 . 1 46 46 LYS HB2 H 1 1.759 0.000 . 1 . . . . . 46 LYS HB2 . 53396 1
505 . 1 . 1 46 46 LYS HB3 H 1 1.759 0.000 . 1 . . . . . 46 LYS HB3 . 53396 1
506 . 1 . 1 46 46 LYS C C 13 177.433 0.000 . 1 . . . . . 46 LYS C . 53396 1
507 . 1 . 1 46 46 LYS CA C 13 59.570 0.000 . 1 . . . . . 46 LYS CA . 53396 1
508 . 1 . 1 46 46 LYS CB C 13 32.871 0.000 . 1 . . . . . 46 LYS CB . 53396 1
509 . 1 . 1 46 46 LYS N N 15 119.861 0.002 . 1 . . . . . 46 LYS N . 53396 1
510 . 1 . 1 47 47 LYS H H 1 7.965 0.020 . 1 . . . . . 47 LYS H . 53396 1
511 . 1 . 1 47 47 LYS HA H 1 4.250 0.069 . 1 . . . . . 47 LYS HA . 53396 1
512 . 1 . 1 47 47 LYS HB2 H 1 2.002 0.039 . 1 . . . . . 47 LYS HB2 . 53396 1
513 . 1 . 1 47 47 LYS HB3 H 1 2.002 0.039 . 1 . . . . . 47 LYS HB3 . 53396 1
514 . 1 . 1 47 47 LYS C C 13 176.888 0.000 . 1 . . . . . 47 LYS C . 53396 1
515 . 1 . 1 47 47 LYS CA C 13 61.250 0.000 . 1 . . . . . 47 LYS CA . 53396 1
516 . 1 . 1 47 47 LYS CB C 13 36.647 0.000 . 1 . . . . . 47 LYS CB . 53396 1
517 . 1 . 1 47 47 LYS N N 15 118.039 0.001 . 1 . . . . . 47 LYS N . 53396 1
518 . 1 . 1 48 48 HIS H H 1 8.706 0.006 . 1 . . . . . 48 HIS H . 53396 1
519 . 1 . 1 48 48 HIS HA H 1 4.666 0.033 . 1 . . . . . 48 HIS HA . 53396 1
520 . 1 . 1 48 48 HIS HB2 H 1 3.420 0.016 . 2 . . . . . 48 HIS HB2 . 53396 1
521 . 1 . 1 48 48 HIS HB3 H 1 3.520 0.000 . 2 . . . . . 48 HIS HB3 . 53396 1
522 . 1 . 1 48 48 HIS HD2 H 1 6.608 0.004 . 1 . . . . . 48 HIS HD2 . 53396 1
523 . 1 . 1 48 48 HIS HE1 H 1 8.620 0.000 . 1 . . . . . 48 HIS HE1 . 53396 1
524 . 1 . 1 48 48 HIS C C 13 175.713 0.000 . 1 . . . . . 48 HIS C . 53396 1
525 . 1 . 1 48 48 HIS CA C 13 57.880 0.000 . 1 . . . . . 48 HIS CA . 53396 1
526 . 1 . 1 48 48 HIS CB C 13 28.326 0.000 . 1 . . . . . 48 HIS CB . 53396 1
527 . 1 . 1 48 48 HIS CD2 C 13 119.619 0.000 . 1 . . . . . 48 HIS CD2 . 53396 1
528 . 1 . 1 48 48 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 48 HIS CE1 . 53396 1
529 . 1 . 1 48 48 HIS N N 15 120.499 0.066 . 1 . . . . . 48 HIS N . 53396 1
530 . 1 . 1 49 49 HIS H H 1 8.321 0.046 . 1 . . . . . 49 HIS H . 53396 1
531 . 1 . 1 49 49 HIS HA H 1 4.706 0.005 . 1 . . . . . 49 HIS HA . 53396 1
532 . 1 . 1 49 49 HIS HB2 H 1 3.404 0.000 . 2 . . . . . 49 HIS HB2 . 53396 1
533 . 1 . 1 49 49 HIS HB3 H 1 3.394 0.010 . 2 . . . . . 49 HIS HB3 . 53396 1
534 . 1 . 1 49 49 HIS HD2 H 1 7.394 0.000 . 1 . . . . . 49 HIS HD2 . 53396 1
535 . 1 . 1 49 49 HIS HE1 H 1 8.620 0.000 . 1 . . . . . 49 HIS HE1 . 53396 1
536 . 1 . 1 49 49 HIS C C 13 175.646 0.000 . 1 . . . . . 49 HIS C . 53396 1
537 . 1 . 1 49 49 HIS CA C 13 56.471 0.000 . 1 . . . . . 49 HIS CA . 53396 1
538 . 1 . 1 49 49 HIS CB C 13 29.358 0.000 . 1 . . . . . 49 HIS CB . 53396 1
539 . 1 . 1 49 49 HIS CD2 C 13 120.327 0.000 . 5 . . . . . 49 HIS CD2 . 53396 1
540 . 1 . 1 49 49 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 49 HIS CE1 . 53396 1
541 . 1 . 1 49 49 HIS N N 15 120.450 0.001 . 1 . . . . . 49 HIS N . 53396 1
542 . 1 . 1 50 50 GLU H H 1 8.344 0.005 . 1 . . . . . 50 GLU H . 53396 1
543 . 1 . 1 50 50 GLU HA H 1 4.092 0.028 . 1 . . . . . 50 GLU HA . 53396 1
544 . 1 . 1 50 50 GLU HB2 H 1 1.959 0.048 . 1 . . . . . 50 GLU HB2 . 53396 1
545 . 1 . 1 50 50 GLU HB3 H 1 1.959 0.048 . 1 . . . . . 50 GLU HB3 . 53396 1
546 . 1 . 1 50 50 GLU HG2 H 1 2.274 0.000 . 1 . . . . . 50 GLU HG2 . 53396 1
547 . 1 . 1 50 50 GLU HG3 H 1 2.274 0.000 . 1 . . . . . 50 GLU HG3 . 53396 1
548 . 1 . 1 50 50 GLU C C 13 176.987 0.000 . 1 . . . . . 50 GLU C . 53396 1
549 . 1 . 1 50 50 GLU CA C 13 61.270 0.000 . 1 . . . . . 50 GLU CA . 53396 1
550 . 1 . 1 50 50 GLU CB C 13 30.896 0.000 . 1 . . . . . 50 GLU CB . 53396 1
551 . 1 . 1 50 50 GLU CG C 13 36.126 0.000 . 1 . . . . . 50 GLU CG . 53396 1
552 . 1 . 1 50 50 GLU N N 15 122.000 0.001 . 1 . . . . . 50 GLU N . 53396 1
553 . 1 . 1 51 51 GLU H H 1 8.845 0.012 . 1 . . . . . 51 GLU H . 53396 1
554 . 1 . 1 51 51 GLU HA H 1 3.876 0.055 . 1 . . . . . 51 GLU HA . 53396 1
555 . 1 . 1 51 51 GLU HB2 H 1 1.959 0.022 . 1 . . . . . 51 GLU HB2 . 53396 1
556 . 1 . 1 51 51 GLU HB3 H 1 1.959 0.022 . 1 . . . . . 51 GLU HB3 . 53396 1
557 . 1 . 1 51 51 GLU HG2 H 1 2.137 0.000 . 1 . . . . . 51 GLU HG2 . 53396 1
558 . 1 . 1 51 51 GLU HG3 H 1 2.137 0.000 . 1 . . . . . 51 GLU HG3 . 53396 1
559 . 1 . 1 51 51 GLU C C 13 179.064 0.000 . 1 . . . . . 51 GLU C . 53396 1
560 . 1 . 1 51 51 GLU CA C 13 61.018 0.000 . 1 . . . . . 51 GLU CA . 53396 1
561 . 1 . 1 51 51 GLU N N 15 120.071 0.012 . 1 . . . . . 51 GLU N . 53396 1
562 . 1 . 1 52 52 GLU H H 1 8.362 0.019 . 1 . . . . . 52 GLU H . 53396 1
563 . 1 . 1 52 52 GLU HA H 1 4.279 0.043 . 1 . . . . . 52 GLU HA . 53396 1
564 . 1 . 1 52 52 GLU HB2 H 1 2.099 0.032 . 1 . . . . . 52 GLU HB2 . 53396 1
565 . 1 . 1 52 52 GLU HB3 H 1 2.099 0.032 . 1 . . . . . 52 GLU HB3 . 53396 1
566 . 1 . 1 52 52 GLU HG2 H 1 2.337 0.000 . 1 . . . . . 52 GLU HG2 . 53396 1
567 . 1 . 1 52 52 GLU HG3 H 1 2.337 0.000 . 1 . . . . . 52 GLU HG3 . 53396 1
568 . 1 . 1 52 52 GLU C C 13 179.086 0.000 . 1 . . . . . 52 GLU C . 53396 1
569 . 1 . 1 52 52 GLU CA C 13 59.170 0.000 . 1 . . . . . 52 GLU CA . 53396 1
570 . 1 . 1 52 52 GLU CB C 13 30.301 0.000 . 1 . . . . . 52 GLU CB . 53396 1
571 . 1 . 1 52 52 GLU CG C 13 36.124 0.000 . 1 . . . . . 52 GLU CG . 53396 1
572 . 1 . 1 52 52 GLU N N 15 119.941 0.002 . 1 . . . . . 52 GLU N . 53396 1
573 . 1 . 1 53 53 ILE H H 1 7.967 0.004 . 1 . . . . . 53 ILE H . 53396 1
574 . 1 . 1 53 53 ILE HA H 1 4.121 0.050 . 1 . . . . . 53 ILE HA . 53396 1
575 . 1 . 1 53 53 ILE HB H 1 2.001 0.032 . 1 . . . . . 53 ILE HB . 53396 1
576 . 1 . 1 53 53 ILE HG12 H 1 1.894 0.000 . 2 . . . . . 53 ILE HG12 . 53396 1
577 . 1 . 1 53 53 ILE HG13 H 1 1.076 0.000 . 2 . . . . . 53 ILE HG13 . 53396 1
578 . 1 . 1 53 53 ILE HG21 H 1 1.025 0.000 . 1 . . . . . 53 ILE HG21 . 53396 1
579 . 1 . 1 53 53 ILE HG22 H 1 1.025 0.000 . 1 . . . . . 53 ILE HG22 . 53396 1
580 . 1 . 1 53 53 ILE HG23 H 1 1.025 0.000 . 1 . . . . . 53 ILE HG23 . 53396 1
581 . 1 . 1 53 53 ILE HD11 H 1 0.945 0.000 . 1 . . . . . 53 ILE HD11 . 53396 1
582 . 1 . 1 53 53 ILE HD12 H 1 0.945 0.000 . 1 . . . . . 53 ILE HD12 . 53396 1
583 . 1 . 1 53 53 ILE HD13 H 1 0.945 0.000 . 1 . . . . . 53 ILE HD13 . 53396 1
584 . 1 . 1 53 53 ILE C C 13 179.196 0.000 . 1 . . . . . 53 ILE C . 53396 1
585 . 1 . 1 53 53 ILE CA C 13 67.359 0.000 . 1 . . . . . 53 ILE CA . 53396 1
586 . 1 . 1 53 53 ILE CB C 13 41.855 0.000 . 1 . . . . . 53 ILE CB . 53396 1
587 . 1 . 1 53 53 ILE CG1 C 13 31.328 0.000 . 1 . . . . . 53 ILE CG1 . 53396 1
588 . 1 . 1 53 53 ILE CG2 C 13 17.174 0.000 . 1 . . . . . 53 ILE CG2 . 53396 1
589 . 1 . 1 53 53 ILE CD1 C 13 15.032 0.000 . 1 . . . . . 53 ILE CD1 . 53396 1
590 . 1 . 1 53 53 ILE N N 15 122.639 0.004 . 1 . . . . . 53 ILE N . 53396 1
591 . 1 . 1 54 54 VAL H H 1 7.975 0.009 . 1 . . . . . 54 VAL H . 53396 1
592 . 1 . 1 54 54 VAL HA H 1 4.152 0.024 . 1 . . . . . 54 VAL HA . 53396 1
593 . 1 . 1 54 54 VAL HB H 1 2.047 0.039 . 1 . . . . . 54 VAL HB . 53396 1
594 . 1 . 1 54 54 VAL HG11 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG11 . 53396 1
595 . 1 . 1 54 54 VAL HG12 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG12 . 53396 1
596 . 1 . 1 54 54 VAL HG13 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG13 . 53396 1
597 . 1 . 1 54 54 VAL HG21 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG21 . 53396 1
598 . 1 . 1 54 54 VAL HG22 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG22 . 53396 1
599 . 1 . 1 54 54 VAL HG23 H 1 0.936 0.000 . 1 . . . . . 54 VAL HG23 . 53396 1
600 . 1 . 1 54 54 VAL C C 13 176.960 0.000 . 1 . . . . . 54 VAL C . 53396 1
601 . 1 . 1 54 54 VAL CA C 13 61.830 0.000 . 1 . . . . . 54 VAL CA . 53396 1
602 . 1 . 1 54 54 VAL CB C 13 33.320 0.000 . 1 . . . . . 54 VAL CB . 53396 1
603 . 1 . 1 54 54 VAL CG1 C 13 21.334 0.000 . 2 . . . . . 54 VAL CG1 . 53396 1
604 . 1 . 1 54 54 VAL CG2 C 13 20.340 0.000 . 2 . . . . . 54 VAL CG2 . 53396 1
605 . 1 . 1 54 54 VAL N N 15 118.212 0.089 . 1 . . . . . 54 VAL N . 53396 1
606 . 1 . 1 55 55 HIS H H 1 8.220 0.018 . 1 . . . . . 55 HIS H . 53396 1
607 . 1 . 1 55 55 HIS HA H 1 4.396 0.074 . 1 . . . . . 55 HIS HA . 53396 1
608 . 1 . 1 55 55 HIS HB2 H 1 3.374 0.026 . 2 . . . . . 55 HIS HB2 . 53396 1
609 . 1 . 1 55 55 HIS HB3 H 1 3.123 0.000 . 2 . . . . . 55 HIS HB3 . 53396 1
610 . 1 . 1 55 55 HIS HD2 H 1 7.136 0.003 . 1 . . . . . 55 HIS HD2 . 53396 1
611 . 1 . 1 55 55 HIS HE1 H 1 8.655 0.036 . 1 . . . . . 55 HIS HE1 . 53396 1
612 . 1 . 1 55 55 HIS C C 13 177.570 0.000 . 1 . . . . . 55 HIS C . 53396 1
613 . 1 . 1 55 55 HIS CA C 13 56.785 0.000 . 1 . . . . . 55 HIS CA . 53396 1
614 . 1 . 1 55 55 HIS CB C 13 30.831 0.000 . 1 . . . . . 55 HIS CB . 53396 1
615 . 1 . 1 55 55 HIS CD2 C 13 120.552 0.000 . 1 . . . . . 55 HIS CD2 . 53396 1
616 . 1 . 1 55 55 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 55 HIS CE1 . 53396 1
617 . 1 . 1 55 55 HIS N N 15 116.820 0.006 . 1 . . . . . 55 HIS N . 53396 1
618 . 1 . 1 56 56 HIS H H 1 7.917 0.021 . 1 . . . . . 56 HIS H . 53396 1
619 . 1 . 1 56 56 HIS HA H 1 4.681 0.028 . 1 . . . . . 56 HIS HA . 53396 1
620 . 1 . 1 56 56 HIS HB2 H 1 3.419 0.043 . 1 . . . . . 56 HIS HB2 . 53396 1
621 . 1 . 1 56 56 HIS HB3 H 1 3.419 0.043 . 1 . . . . . 56 HIS HB3 . 53396 1
622 . 1 . 1 56 56 HIS HD2 H 1 7.394 0.000 . 1 . . . . . 56 HIS HD2 . 53396 1
623 . 1 . 1 56 56 HIS HE1 H 1 8.655 0.036 . 1 . . . . . 56 HIS HE1 . 53396 1
624 . 1 . 1 56 56 HIS C C 13 175.779 0.000 . 1 . . . . . 56 HIS C . 53396 1
625 . 1 . 1 56 56 HIS CA C 13 57.890 0.000 . 1 . . . . . 56 HIS CA . 53396 1
626 . 1 . 1 56 56 HIS CB C 13 28.480 0.000 . 1 . . . . . 56 HIS CB . 53396 1
627 . 1 . 1 56 56 HIS CD2 C 13 120.327 0.000 . 5 . . . . . 56 HIS CD2 . 53396 1
628 . 1 . 1 56 56 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 56 HIS CE1 . 53396 1
629 . 1 . 1 56 56 HIS N N 15 118.491 0.005 . 1 . . . . . 56 HIS N . 53396 1
630 . 1 . 1 57 57 LYS H H 1 8.525 0.013 . 1 . . . . . 57 LYS H . 53396 1
631 . 1 . 1 57 57 LYS HA H 1 4.203 0.026 . 1 . . . . . 57 LYS HA . 53396 1
632 . 1 . 1 57 57 LYS HB2 H 1 2.318 0.008 . 2 . . . . . 57 LYS HB2 . 53396 1
633 . 1 . 1 57 57 LYS HB3 H 1 2.035 0.029 . 2 . . . . . 57 LYS HB3 . 53396 1
634 . 1 . 1 57 57 LYS HG2 H 1 1.746 0.000 . 1 . . . . . 57 LYS HG2 . 53396 1
635 . 1 . 1 57 57 LYS HG3 H 1 1.746 0.000 . 1 . . . . . 57 LYS HG3 . 53396 1
636 . 1 . 1 57 57 LYS HD2 H 1 1.471 0.000 . 1 . . . . . 57 LYS HD2 . 53396 1
637 . 1 . 1 57 57 LYS HD3 H 1 1.471 0.000 . 1 . . . . . 57 LYS HD3 . 53396 1
638 . 1 . 1 57 57 LYS HE2 H 1 3.020 0.000 . 1 . . . . . 57 LYS HE2 . 53396 1
639 . 1 . 1 57 57 LYS HE3 H 1 3.020 0.000 . 1 . . . . . 57 LYS HE3 . 53396 1
640 . 1 . 1 57 57 LYS C C 13 178.974 0.000 . 1 . . . . . 57 LYS C . 53396 1
641 . 1 . 1 57 57 LYS CA C 13 60.150 0.000 . 1 . . . . . 57 LYS CA . 53396 1
642 . 1 . 1 57 57 LYS CB C 13 32.169 0.000 . 1 . . . . . 57 LYS CB . 53396 1
643 . 1 . 1 57 57 LYS CG C 13 25.098 0.000 . 1 . . . . . 57 LYS CG . 53396 1
644 . 1 . 1 57 57 LYS CD C 13 29.189 0.000 . 1 . . . . . 57 LYS CD . 53396 1
645 . 1 . 1 57 57 LYS CE C 13 42.162 0.000 . 1 . . . . . 57 LYS CE . 53396 1
646 . 1 . 1 57 57 LYS N N 15 119.758 0.018 . 1 . . . . . 57 LYS N . 53396 1
647 . 1 . 1 58 58 LYS H H 1 8.744 0.017 . 1 . . . . . 58 LYS H . 53396 1
648 . 1 . 1 58 58 LYS HA H 1 4.050 0.047 . 1 . . . . . 58 LYS HA . 53396 1
649 . 1 . 1 58 58 LYS HB2 H 1 1.702 0.022 . 1 . . . . . 58 LYS HB2 . 53396 1
650 . 1 . 1 58 58 LYS HB3 H 1 1.702 0.022 . 1 . . . . . 58 LYS HB3 . 53396 1
651 . 1 . 1 58 58 LYS HG2 H 1 1.420 0.000 . 1 . . . . . 58 LYS HG2 . 53396 1
652 . 1 . 1 58 58 LYS HG3 H 1 1.420 0.000 . 1 . . . . . 58 LYS HG3 . 53396 1
653 . 1 . 1 58 58 LYS C C 13 178.940 0.000 . 1 . . . . . 58 LYS C . 53396 1
654 . 1 . 1 58 58 LYS CA C 13 58.480 0.000 . 1 . . . . . 58 LYS CA . 53396 1
655 . 1 . 1 58 58 LYS CB C 13 31.314 0.000 . 1 . . . . . 58 LYS CB . 53396 1
656 . 1 . 1 58 58 LYS N N 15 121.538 0.006 . 1 . . . . . 58 LYS N . 53396 1
657 . 1 . 1 59 59 GLU H H 1 8.958 0.010 . 1 . . . . . 59 GLU H . 53396 1
658 . 1 . 1 59 59 GLU HA H 1 4.133 0.025 . 1 . . . . . 59 GLU HA . 53396 1
659 . 1 . 1 59 59 GLU HB2 H 1 2.112 0.013 . 1 . . . . . 59 GLU HB2 . 53396 1
660 . 1 . 1 59 59 GLU HB3 H 1 2.112 0.013 . 1 . . . . . 59 GLU HB3 . 53396 1
661 . 1 . 1 59 59 GLU HG2 H 1 2.410 0.000 . 2 . . . . . 59 GLU HG2 . 53396 1
662 . 1 . 1 59 59 GLU HG3 H 1 2.678 0.000 . 2 . . . . . 59 GLU HG3 . 53396 1
663 . 1 . 1 59 59 GLU C C 13 178.725 0.000 . 1 . . . . . 59 GLU C . 53396 1
664 . 1 . 1 59 59 GLU CA C 13 59.558 0.000 . 1 . . . . . 59 GLU CA . 53396 1
665 . 1 . 1 59 59 GLU CB C 13 27.618 0.000 . 1 . . . . . 59 GLU CB . 53396 1
666 . 1 . 1 59 59 GLU CG C 13 36.566 0.000 . 1 . . . . . 59 GLU CG . 53396 1
667 . 1 . 1 59 59 GLU N N 15 119.420 0.023 . 1 . . . . . 59 GLU N . 53396 1
668 . 1 . 1 60 60 ILE H H 1 8.229 0.019 . 1 . . . . . 60 ILE H . 53396 1
669 . 1 . 1 60 60 ILE HB H 1 1.817 0.000 . 1 . . . . . 60 ILE HB . 53396 1
670 . 1 . 1 60 60 ILE HG21 H 1 1.150 0.000 . 1 . . . . . 60 ILE HG21 . 53396 1
671 . 1 . 1 60 60 ILE HG22 H 1 1.150 0.000 . 1 . . . . . 60 ILE HG22 . 53396 1
672 . 1 . 1 60 60 ILE HG23 H 1 1.150 0.000 . 1 . . . . . 60 ILE HG23 . 53396 1
673 . 1 . 1 60 60 ILE HD11 H 1 0.963 0.000 . 1 . . . . . 60 ILE HD11 . 53396 1
674 . 1 . 1 60 60 ILE HD12 H 1 0.963 0.000 . 1 . . . . . 60 ILE HD12 . 53396 1
675 . 1 . 1 60 60 ILE HD13 H 1 0.963 0.000 . 1 . . . . . 60 ILE HD13 . 53396 1
676 . 1 . 1 60 60 ILE C C 13 177.076 0.000 . 1 . . . . . 60 ILE C . 53396 1
677 . 1 . 1 60 60 ILE CA C 13 67.343 0.000 . 1 . . . . . 60 ILE CA . 53396 1
678 . 1 . 1 60 60 ILE CB C 13 38.857 0.000 . 1 . . . . . 60 ILE CB . 53396 1
679 . 1 . 1 60 60 ILE N N 15 120.985 0.013 . 1 . . . . . 60 ILE N . 53396 1
680 . 1 . 1 61 61 GLU H H 1 7.985 0.006 . 1 . . . . . 61 GLU H . 53396 1
681 . 1 . 1 61 61 GLU CB C 13 30.996 0.000 . 1 . . . . . 61 GLU CB . 53396 1
682 . 1 . 1 61 61 GLU N N 15 119.649 0.002 . 1 . . . . . 61 GLU N . 53396 1
683 . 1 . 1 62 62 ARG H H 1 8.310 0.006 . 1 . . . . . 62 ARG H . 53396 1
684 . 1 . 1 62 62 ARG HA H 1 4.369 0.031 . 1 . . . . . 62 ARG HA . 53396 1
685 . 1 . 1 62 62 ARG HB2 H 1 1.716 0.001 . 2 . . . . . 62 ARG HB2 . 53396 1
686 . 1 . 1 62 62 ARG HB3 H 1 1.718 0.003 . 2 . . . . . 62 ARG HB3 . 53396 1
687 . 1 . 1 62 62 ARG C C 13 178.887 0.000 . 1 . . . . . 62 ARG C . 53396 1
688 . 1 . 1 62 62 ARG CA C 13 60.900 0.000 . 1 . . . . . 62 ARG CA . 53396 1
689 . 1 . 1 62 62 ARG N N 15 123.103 0.044 . 1 . . . . . 62 ARG N . 53396 1
690 . 1 . 1 63 63 LEU H H 1 8.573 0.016 . 1 . . . . . 63 LEU H . 53396 1
691 . 1 . 1 63 63 LEU HA H 1 4.612 0.028 . 1 . . . . . 63 LEU HA . 53396 1
692 . 1 . 1 63 63 LEU HD11 H 1 0.869 0.000 . 1 . . . . . 63 LEU HD11 . 53396 1
693 . 1 . 1 63 63 LEU HD12 H 1 0.869 0.000 . 1 . . . . . 63 LEU HD12 . 53396 1
694 . 1 . 1 63 63 LEU HD13 H 1 0.869 0.000 . 1 . . . . . 63 LEU HD13 . 53396 1
695 . 1 . 1 63 63 LEU C C 13 177.720 0.000 . 1 . . . . . 63 LEU C . 53396 1
696 . 1 . 1 63 63 LEU CA C 13 59.079 0.000 . 1 . . . . . 63 LEU CA . 53396 1
697 . 1 . 1 63 63 LEU CB C 13 42.695 0.000 . 1 . . . . . 63 LEU CB . 53396 1
698 . 1 . 1 63 63 LEU N N 15 120.336 0.180 . 1 . . . . . 63 LEU N . 53396 1
699 . 1 . 1 64 64 GLN H H 1 8.595 0.013 . 1 . . . . . 64 GLN H . 53396 1
700 . 1 . 1 64 64 GLN HA H 1 4.216 0.020 . 1 . . . . . 64 GLN HA . 53396 1
701 . 1 . 1 64 64 GLN HB2 H 1 2.079 0.000 . 1 . . . . . 64 GLN HB2 . 53396 1
702 . 1 . 1 64 64 GLN HB3 H 1 2.079 0.000 . 1 . . . . . 64 GLN HB3 . 53396 1
703 . 1 . 1 64 64 GLN HG2 H 1 2.399 0.000 . 1 . . . . . 64 GLN HG2 . 53396 1
704 . 1 . 1 64 64 GLN HG3 H 1 2.399 0.000 . 1 . . . . . 64 GLN HG3 . 53396 1
705 . 1 . 1 64 64 GLN HE21 H 1 7.498 0.000 . 1 . . . . . 64 GLN HE21 . 53396 1
706 . 1 . 1 64 64 GLN HE22 H 1 6.862 0.000 . 1 . . . . . 64 GLN HE22 . 53396 1
707 . 1 . 1 64 64 GLN C C 13 177.954 0.000 . 1 . . . . . 64 GLN C . 53396 1
708 . 1 . 1 64 64 GLN CA C 13 58.974 0.000 . 1 . . . . . 64 GLN CA . 53396 1
709 . 1 . 1 64 64 GLN CB C 13 29.817 0.000 . 1 . . . . . 64 GLN CB . 53396 1
710 . 1 . 1 64 64 GLN CG C 13 36.498 0.000 . 1 . . . . . 64 GLN CG . 53396 1
711 . 1 . 1 64 64 GLN CD C 13 179.511 0.000 . 1 . . . . . 64 GLN CD . 53396 1
712 . 1 . 1 64 64 GLN N N 15 120.311 0.042 . 1 . . . . . 64 GLN N . 53396 1
713 . 1 . 1 64 64 GLN NE2 N 15 111.733 0.005 . 1 . . . . . 64 GLN NE2 . 53396 1
714 . 1 . 1 65 65 LYS H H 1 7.667 0.005 . 1 . . . . . 65 LYS H . 53396 1
715 . 1 . 1 65 65 LYS HA H 1 4.052 0.015 . 1 . . . . . 65 LYS HA . 53396 1
716 . 1 . 1 65 65 LYS HB2 H 1 1.444 0.000 . 1 . . . . . 65 LYS HB2 . 53396 1
717 . 1 . 1 65 65 LYS HB3 H 1 1.444 0.000 . 1 . . . . . 65 LYS HB3 . 53396 1
718 . 1 . 1 65 65 LYS HE2 H 1 2.978 0.000 . 1 . . . . . 65 LYS HE2 . 53396 1
719 . 1 . 1 65 65 LYS HE3 H 1 2.978 0.000 . 1 . . . . . 65 LYS HE3 . 53396 1
720 . 1 . 1 65 65 LYS C C 13 178.141 0.000 . 1 . . . . . 65 LYS C . 53396 1
721 . 1 . 1 65 65 LYS CA C 13 58.310 0.000 . 1 . . . . . 65 LYS CA . 53396 1
722 . 1 . 1 65 65 LYS CE C 13 42.489 0.000 . 1 . . . . . 65 LYS CE . 53396 1
723 . 1 . 1 65 65 LYS N N 15 119.551 0.009 . 1 . . . . . 65 LYS N . 53396 1
724 . 1 . 1 66 66 GLU H H 1 7.852 0.000 . 1 . . . . . 66 GLU H . 53396 1
725 . 1 . 1 66 66 GLU C C 13 178.110 0.000 . 1 . . . . . 66 GLU C . 53396 1
726 . 1 . 1 66 66 GLU CA C 13 58.552 0.000 . 1 . . . . . 66 GLU CA . 53396 1
727 . 1 . 1 66 66 GLU N N 15 118.629 0.000 . 1 . . . . . 66 GLU N . 53396 1
728 . 1 . 1 67 67 ILE H H 1 7.840 0.027 . 1 . . . . . 67 ILE H . 53396 1
729 . 1 . 1 67 67 ILE C C 13 176.362 0.000 . 1 . . . . . 67 ILE C . 53396 1
730 . 1 . 1 67 67 ILE CA C 13 66.664 0.000 . 1 . . . . . 67 ILE CA . 53396 1
731 . 1 . 1 67 67 ILE N N 15 118.276 0.000 . 1 . . . . . 67 ILE N . 53396 1
732 . 1 . 1 68 68 GLU H H 1 7.588 0.006 . 1 . . . . . 68 GLU H . 53396 1
733 . 1 . 1 68 68 GLU HA H 1 4.002 0.018 . 1 . . . . . 68 GLU HA . 53396 1
734 . 1 . 1 68 68 GLU HB2 H 1 1.981 0.044 . 2 . . . . . 68 GLU HB2 . 53396 1
735 . 1 . 1 68 68 GLU HB3 H 1 1.725 0.009 . 2 . . . . . 68 GLU HB3 . 53396 1
736 . 1 . 1 68 68 GLU HG2 H 1 2.177 0.000 . 1 . . . . . 68 GLU HG2 . 53396 1
737 . 1 . 1 68 68 GLU HG3 H 1 2.177 0.000 . 1 . . . . . 68 GLU HG3 . 53396 1
738 . 1 . 1 68 68 GLU C C 13 178.401 0.000 . 1 . . . . . 68 GLU C . 53396 1
739 . 1 . 1 68 68 GLU CA C 13 60.130 0.000 . 1 . . . . . 68 GLU CA . 53396 1
740 . 1 . 1 68 68 GLU CB C 13 32.679 0.000 . 1 . . . . . 68 GLU CB . 53396 1
741 . 1 . 1 68 68 GLU N N 15 118.040 0.026 . 1 . . . . . 68 GLU N . 53396 1
742 . 1 . 1 69 69 ARG H H 1 8.373 0.017 . 1 . . . . . 69 ARG H . 53396 1
743 . 1 . 1 69 69 ARG C C 13 178.292 0.000 . 1 . . . . . 69 ARG C . 53396 1
744 . 1 . 1 69 69 ARG CA C 13 59.500 0.000 . 1 . . . . . 69 ARG CA . 53396 1
745 . 1 . 1 69 69 ARG N N 15 119.285 0.000 . 1 . . . . . 69 ARG N . 53396 1
746 . 1 . 1 70 70 HIS H H 1 7.870 0.009 . 1 . . . . . 70 HIS H . 53396 1
747 . 1 . 1 70 70 HIS HA H 1 4.129 0.015 . 1 . . . . . 70 HIS HA . 53396 1
748 . 1 . 1 70 70 HIS HB2 H 1 3.374 0.000 . 1 . . . . . 70 HIS HB2 . 53396 1
749 . 1 . 1 70 70 HIS HB3 H 1 3.374 0.000 . 1 . . . . . 70 HIS HB3 . 53396 1
750 . 1 . 1 70 70 HIS HD2 H 1 7.394 0.000 . 1 . . . . . 70 HIS HD2 . 53396 1
751 . 1 . 1 70 70 HIS HE1 H 1 8.620 0.000 . 1 . . . . . 70 HIS HE1 . 53396 1
752 . 1 . 1 70 70 HIS C C 13 177.316 0.000 . 1 . . . . . 70 HIS C . 53396 1
753 . 1 . 1 70 70 HIS CA C 13 60.080 0.000 . 1 . . . . . 70 HIS CA . 53396 1
754 . 1 . 1 70 70 HIS CB C 13 29.360 0.000 . 1 . . . . . 70 HIS CB . 53396 1
755 . 1 . 1 70 70 HIS CD2 C 13 120.327 0.000 . 5 . . . . . 70 HIS CD2 . 53396 1
756 . 1 . 1 70 70 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 70 HIS CE1 . 53396 1
757 . 1 . 1 70 70 HIS N N 15 119.921 0.001 . 1 . . . . . 70 HIS N . 53396 1
758 . 1 . 1 71 71 LYS H H 1 8.080 0.017 . 1 . . . . . 71 LYS H . 53396 1
759 . 1 . 1 71 71 LYS HA H 1 4.361 0.051 . 1 . . . . . 71 LYS HA . 53396 1
760 . 1 . 1 71 71 LYS HB2 H 1 1.791 0.004 . 1 . . . . . 71 LYS HB2 . 53396 1
761 . 1 . 1 71 71 LYS HB3 H 1 1.791 0.004 . 1 . . . . . 71 LYS HB3 . 53396 1
762 . 1 . 1 71 71 LYS HG2 H 1 1.456 0.000 . 1 . . . . . 71 LYS HG2 . 53396 1
763 . 1 . 1 71 71 LYS HG3 H 1 1.456 0.000 . 1 . . . . . 71 LYS HG3 . 53396 1
764 . 1 . 1 71 71 LYS HD2 H 1 1.664 0.000 . 1 . . . . . 71 LYS HD2 . 53396 1
765 . 1 . 1 71 71 LYS HD3 H 1 1.664 0.000 . 1 . . . . . 71 LYS HD3 . 53396 1
766 . 1 . 1 71 71 LYS HE2 H 1 2.979 0.000 . 1 . . . . . 71 LYS HE2 . 53396 1
767 . 1 . 1 71 71 LYS HE3 H 1 2.979 0.000 . 1 . . . . . 71 LYS HE3 . 53396 1
768 . 1 . 1 71 71 LYS C C 13 175.909 0.000 . 1 . . . . . 71 LYS C . 53396 1
769 . 1 . 1 71 71 LYS CA C 13 59.420 0.000 . 1 . . . . . 71 LYS CA . 53396 1
770 . 1 . 1 71 71 LYS CB C 13 33.561 0.000 . 1 . . . . . 71 LYS CB . 53396 1
771 . 1 . 1 71 71 LYS CE C 13 42.657 0.000 . 1 . . . . . 71 LYS CE . 53396 1
772 . 1 . 1 71 71 LYS N N 15 119.221 0.101 . 1 . . . . . 71 LYS N . 53396 1
773 . 1 . 1 72 72 GLN H H 1 8.225 0.006 . 1 . . . . . 72 GLN H . 53396 1
774 . 1 . 1 72 72 GLN HA H 1 4.115 0.026 . 1 . . . . . 72 GLN HA . 53396 1
775 . 1 . 1 72 72 GLN HB2 H 1 2.175 0.017 . 2 . . . . . 72 GLN HB2 . 53396 1
776 . 1 . 1 72 72 GLN HB3 H 1 1.808 0.021 . 2 . . . . . 72 GLN HB3 . 53396 1
777 . 1 . 1 72 72 GLN HG2 H 1 2.733 0.000 . 2 . . . . . 72 GLN HG2 . 53396 1
778 . 1 . 1 72 72 GLN HG3 H 1 2.502 0.000 . 2 . . . . . 72 GLN HG3 . 53396 1
779 . 1 . 1 72 72 GLN HE21 H 1 7.387 0.001 . 1 . . . . . 72 GLN HE21 . 53396 1
780 . 1 . 1 72 72 GLN HE22 H 1 6.742 0.003 . 1 . . . . . 72 GLN HE22 . 53396 1
781 . 1 . 1 72 72 GLN C C 13 178.849 0.000 . 1 . . . . . 72 GLN C . 53396 1
782 . 1 . 1 72 72 GLN CA C 13 59.420 0.000 . 1 . . . . . 72 GLN CA . 53396 1
783 . 1 . 1 72 72 GLN CB C 13 29.365 0.000 . 1 . . . . . 72 GLN CB . 53396 1
784 . 1 . 1 72 72 GLN CG C 13 36.542 0.000 . 1 . . . . . 72 GLN CG . 53396 1
785 . 1 . 1 72 72 GLN CD C 13 179.128 0.000 . 1 . . . . . 72 GLN CD . 53396 1
786 . 1 . 1 72 72 GLN N N 15 117.007 0.062 . 1 . . . . . 72 GLN N . 53396 1
787 . 1 . 1 72 72 GLN NE2 N 15 110.822 0.150 . 1 . . . . . 72 GLN NE2 . 53396 1
788 . 1 . 1 73 73 LYS H H 1 7.870 0.028 . 1 . . . . . 73 LYS H . 53396 1
789 . 1 . 1 73 73 LYS HA H 1 4.133 0.044 . 1 . . . . . 73 LYS HA . 53396 1
790 . 1 . 1 73 73 LYS HB2 H 1 1.772 0.014 . 1 . . . . . 73 LYS HB2 . 53396 1
791 . 1 . 1 73 73 LYS HB3 H 1 1.772 0.014 . 1 . . . . . 73 LYS HB3 . 53396 1
792 . 1 . 1 73 73 LYS HG2 H 1 1.369 0.000 . 1 . . . . . 73 LYS HG2 . 53396 1
793 . 1 . 1 73 73 LYS HG3 H 1 1.369 0.000 . 1 . . . . . 73 LYS HG3 . 53396 1
794 . 1 . 1 73 73 LYS HD2 H 1 1.961 0.000 . 1 . . . . . 73 LYS HD2 . 53396 1
795 . 1 . 1 73 73 LYS HD3 H 1 1.961 0.000 . 1 . . . . . 73 LYS HD3 . 53396 1
796 . 1 . 1 73 73 LYS HE2 H 1 2.989 0.000 . 1 . . . . . 73 LYS HE2 . 53396 1
797 . 1 . 1 73 73 LYS C C 13 177.795 0.000 . 1 . . . . . 73 LYS C . 53396 1
798 . 1 . 1 73 73 LYS CA C 13 60.020 0.000 . 1 . . . . . 73 LYS CA . 53396 1
799 . 1 . 1 73 73 LYS CB C 13 33.486 0.000 . 1 . . . . . 73 LYS CB . 53396 1
800 . 1 . 1 73 73 LYS N N 15 120.211 0.002 . 1 . . . . . 73 LYS N . 53396 1
801 . 1 . 1 74 74 ILE H H 1 8.332 0.008 . 1 . . . . . 74 ILE H . 53396 1
802 . 1 . 1 74 74 ILE HA H 1 3.663 0.045 . 1 . . . . . 74 ILE HA . 53396 1
803 . 1 . 1 74 74 ILE HB H 1 2.212 0.005 . 1 . . . . . 74 ILE HB . 53396 1
804 . 1 . 1 74 74 ILE HG12 H 1 2.066 0.000 . 2 . . . . . 74 ILE HG12 . 53396 1
805 . 1 . 1 74 74 ILE HG13 H 1 1.021 0.000 . 2 . . . . . 74 ILE HG13 . 53396 1
806 . 1 . 1 74 74 ILE HG21 H 1 1.041 0.000 . 1 . . . . . 74 ILE HG21 . 53396 1
807 . 1 . 1 74 74 ILE HG22 H 1 1.041 0.000 . 1 . . . . . 74 ILE HG22 . 53396 1
808 . 1 . 1 74 74 ILE HG23 H 1 1.041 0.000 . 1 . . . . . 74 ILE HG23 . 53396 1
809 . 1 . 1 74 74 ILE HD11 H 1 0.923 0.000 . 1 . . . . . 74 ILE HD11 . 53396 1
810 . 1 . 1 74 74 ILE HD12 H 1 0.923 0.000 . 1 . . . . . 74 ILE HD12 . 53396 1
811 . 1 . 1 74 74 ILE HD13 H 1 0.923 0.000 . 1 . . . . . 74 ILE HD13 . 53396 1
812 . 1 . 1 74 74 ILE C C 13 176.513 0.000 . 1 . . . . . 74 ILE C . 53396 1
813 . 1 . 1 74 74 ILE CA C 13 67.310 0.000 . 1 . . . . . 74 ILE CA . 53396 1
814 . 1 . 1 74 74 ILE CB C 13 38.513 0.000 . 1 . . . . . 74 ILE CB . 53396 1
815 . 1 . 1 74 74 ILE CG1 C 13 31.328 0.000 . 1 . . . . . 74 ILE CG1 . 53396 1
816 . 1 . 1 74 74 ILE CG2 C 13 17.862 0.000 . 1 . . . . . 74 ILE CG2 . 53396 1
817 . 1 . 1 74 74 ILE CD1 C 13 13.993 0.000 . 1 . . . . . 74 ILE CD1 . 53396 1
818 . 1 . 1 74 74 ILE N N 15 120.799 0.002 . 1 . . . . . 74 ILE N . 53396 1
819 . 1 . 1 75 75 LYS H H 1 7.696 0.004 . 1 . . . . . 75 LYS H . 53396 1
820 . 1 . 1 75 75 LYS HA H 1 4.088 0.020 . 1 . . . . . 75 LYS HA . 53396 1
821 . 1 . 1 75 75 LYS HB2 H 1 2.219 0.010 . 1 . . . . . 75 LYS HB2 . 53396 1
822 . 1 . 1 75 75 LYS HB3 H 1 2.219 0.010 . 1 . . . . . 75 LYS HB3 . 53396 1
823 . 1 . 1 75 75 LYS C C 13 178.537 0.000 . 1 . . . . . 75 LYS C . 53396 1
824 . 1 . 1 75 75 LYS CA C 13 60.070 0.000 . 1 . . . . . 75 LYS CA . 53396 1
825 . 1 . 1 75 75 LYS CB C 13 32.714 0.000 . 1 . . . . . 75 LYS CB . 53396 1
826 . 1 . 1 75 75 LYS N N 15 118.180 0.008 . 1 . . . . . 75 LYS N . 53396 1
827 . 1 . 1 76 76 MET H H 1 7.728 0.006 . 1 . . . . . 76 MET H . 53396 1
828 . 1 . 1 76 76 MET HA H 1 4.235 0.010 . 1 . . . . . 76 MET HA . 53396 1
829 . 1 . 1 76 76 MET HB2 H 1 2.212 0.023 . 1 . . . . . 76 MET HB2 . 53396 1
830 . 1 . 1 76 76 MET HB3 H 1 2.212 0.023 . 1 . . . . . 76 MET HB3 . 53396 1
831 . 1 . 1 76 76 MET HG2 H 1 2.665 0.000 . 2 . . . . . 76 MET HG2 . 53396 1
832 . 1 . 1 76 76 MET HG3 H 1 2.815 0.000 . 2 . . . . . 76 MET HG3 . 53396 1
833 . 1 . 1 76 76 MET HE1 H 1 2.132 0.000 . 1 . . . . . 76 MET HE1 . 53396 1
834 . 1 . 1 76 76 MET HE2 H 1 2.132 0.000 . 1 . . . . . 76 MET HE2 . 53396 1
835 . 1 . 1 76 76 MET HE3 H 1 2.132 0.000 . 1 . . . . . 76 MET HE3 . 53396 1
836 . 1 . 1 76 76 MET C C 13 177.823 0.000 . 1 . . . . . 76 MET C . 53396 1
837 . 1 . 1 76 76 MET CA C 13 58.200 0.000 . 1 . . . . . 76 MET CA . 53396 1
838 . 1 . 1 76 76 MET CB C 13 32.714 0.000 . 1 . . . . . 76 MET CB . 53396 1
839 . 1 . 1 76 76 MET CG C 13 32.754 0.000 . 1 . . . . . 76 MET CG . 53396 1
840 . 1 . 1 76 76 MET CE C 13 17.188 0.000 . 1 . . . . . 76 MET CE . 53396 1
841 . 1 . 1 76 76 MET N N 15 117.320 0.071 . 1 . . . . . 76 MET N . 53396 1
842 . 1 . 1 77 77 LEU H H 1 8.123 0.026 . 1 . . . . . 77 LEU H . 53396 1
843 . 1 . 1 77 77 LEU HA H 1 4.247 0.009 . 1 . . . . . 77 LEU HA . 53396 1
844 . 1 . 1 77 77 LEU HB2 H 1 1.775 0.027 . 1 . . . . . 77 LEU HB2 . 53396 1
845 . 1 . 1 77 77 LEU HB3 H 1 1.775 0.027 . 1 . . . . . 77 LEU HB3 . 53396 1
846 . 1 . 1 77 77 LEU HD11 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD11 . 53396 1
847 . 1 . 1 77 77 LEU HD12 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD12 . 53396 1
848 . 1 . 1 77 77 LEU HD13 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD13 . 53396 1
849 . 1 . 1 77 77 LEU HD21 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD21 . 53396 1
850 . 1 . 1 77 77 LEU HD22 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD22 . 53396 1
851 . 1 . 1 77 77 LEU HD23 H 1 0.954 0.000 . 1 . . . . . 77 LEU HD23 . 53396 1
852 . 1 . 1 77 77 LEU C C 13 179.076 0.000 . 1 . . . . . 77 LEU C . 53396 1
853 . 1 . 1 77 77 LEU CA C 13 59.741 0.000 . 1 . . . . . 77 LEU CA . 53396 1
854 . 1 . 1 77 77 LEU CB C 13 40.362 0.000 . 1 . . . . . 77 LEU CB . 53396 1
855 . 1 . 1 77 77 LEU N N 15 120.828 0.032 . 1 . . . . . 77 LEU N . 53396 1
856 . 1 . 1 78 78 LYS H H 1 8.573 0.016 . 1 . . . . . 78 LYS H . 53396 1
857 . 1 . 1 78 78 LYS HA H 1 4.226 0.025 . 1 . . . . . 78 LYS HA . 53396 1
858 . 1 . 1 78 78 LYS HB2 H 1 1.954 0.011 . 1 . . . . . 78 LYS HB2 . 53396 1
859 . 1 . 1 78 78 LYS HB3 H 1 1.954 0.011 . 1 . . . . . 78 LYS HB3 . 53396 1
860 . 1 . 1 78 78 LYS HD2 H 1 1.732 0.000 . 1 . . . . . 78 LYS HD2 . 53396 1
861 . 1 . 1 78 78 LYS HD3 H 1 1.732 0.000 . 1 . . . . . 78 LYS HD3 . 53396 1
862 . 1 . 1 78 78 LYS C C 13 175.937 0.000 . 1 . . . . . 78 LYS C . 53396 1
863 . 1 . 1 78 78 LYS CA C 13 57.470 0.000 . 1 . . . . . 78 LYS CA . 53396 1
864 . 1 . 1 78 78 LYS CB C 13 33.223 0.000 . 1 . . . . . 78 LYS CB . 53396 1
865 . 1 . 1 78 78 LYS N N 15 122.319 0.163 . 1 . . . . . 78 LYS N . 53396 1
866 . 1 . 1 79 79 HIS H H 1 7.927 0.005 . 1 . . . . . 79 HIS H . 53396 1
867 . 1 . 1 79 79 HIS HA H 1 4.680 0.021 . 1 . . . . . 79 HIS HA . 53396 1
868 . 1 . 1 79 79 HIS HB2 H 1 3.378 0.034 . 1 . . . . . 79 HIS HB2 . 53396 1
869 . 1 . 1 79 79 HIS HB3 H 1 3.378 0.034 . 1 . . . . . 79 HIS HB3 . 53396 1
870 . 1 . 1 79 79 HIS HD2 H 1 7.394 0.000 . 1 . . . . . 79 HIS HD2 . 53396 1
871 . 1 . 1 79 79 HIS HE1 H 1 8.620 0.000 . 1 . . . . . 79 HIS HE1 . 53396 1
872 . 1 . 1 79 79 HIS C C 13 173.516 0.000 . 1 . . . . . 79 HIS C . 53396 1
873 . 1 . 1 79 79 HIS CA C 13 56.770 0.000 . 1 . . . . . 79 HIS CA . 53396 1
874 . 1 . 1 79 79 HIS CB C 13 29.312 0.000 . 1 . . . . . 79 HIS CB . 53396 1
875 . 1 . 1 79 79 HIS CD2 C 13 120.327 0.000 . 5 . . . . . 79 HIS CD2 . 53396 1
876 . 1 . 1 79 79 HIS CE1 C 13 137.762 0.000 . 5 . . . . . 79 HIS CE1 . 53396 1
877 . 1 . 1 79 79 HIS N N 15 118.139 0.027 . 1 . . . . . 79 HIS N . 53396 1
878 . 1 . 1 80 80 ASP H H 1 8.230 0.007 . 1 . . . . . 80 ASP H . 53396 1
879 . 1 . 1 80 80 ASP HA H 1 4.742 0.031 . 1 . . . . . 80 ASP HA . 53396 1
880 . 1 . 1 80 80 ASP HB2 H 1 2.819 0.009 . 2 . . . . . 80 ASP HB2 . 53396 1
881 . 1 . 1 80 80 ASP HB3 H 1 2.621 0.000 . 2 . . . . . 80 ASP HB3 . 53396 1
882 . 1 . 1 80 80 ASP C C 13 174.167 0.000 . 1 . . . . . 80 ASP C . 53396 1
883 . 1 . 1 80 80 ASP CA C 13 54.556 0.000 . 1 . . . . . 80 ASP CA . 53396 1
884 . 1 . 1 80 80 ASP CB C 13 41.487 0.000 . 1 . . . . . 80 ASP CB . 53396 1
885 . 1 . 1 80 80 ASP N N 15 121.222 0.017 . 1 . . . . . 80 ASP N . 53396 1
886 . 1 . 1 81 81 ASP H H 1 7.955 0.023 . 1 . . . . . 81 ASP H . 53396 1
887 . 1 . 1 81 81 ASP HA H 1 4.477 0.047 . 1 . . . . . 81 ASP HA . 53396 1
888 . 1 . 1 81 81 ASP HB2 H 1 2.673 0.005 . 1 . . . . . 81 ASP HB2 . 53396 1
889 . 1 . 1 81 81 ASP HB3 H 1 2.673 0.005 . 1 . . . . . 81 ASP HB3 . 53396 1
890 . 1 . 1 81 81 ASP C C 13 179.899 0.000 . 1 . . . . . 81 ASP C . 53396 1
891 . 1 . 1 81 81 ASP CA C 13 56.021 0.000 . 1 . . . . . 81 ASP CA . 53396 1
892 . 1 . 1 81 81 ASP CB C 13 42.321 0.000 . 1 . . . . . 81 ASP CB . 53396 1
893 . 1 . 1 81 81 ASP N N 15 125.380 0.010 . 1 . . . . . 81 ASP N . 53396 1
stop_
save_