Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 12041
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12041 1
2 '3D HNCACB' 1 $sample_1 isotropic 12041 1
3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12041 1
4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 12041 1
5 '3D H(CCO)NH' 1 $sample_1 isotropic 12041 1
6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 12041 1
7 '3D 1H-13C NOESY' 1 $sample_1 isotropic 12041 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 3.997 0.002 2 1 . . . . . 1 MET HA . 12041 1
2 . 1 . 1 1 1 MET HB2 H 1 2.079 0.005 2 2 . . . . . 1 MET HB# . 12041 1
3 . 1 . 1 1 1 MET HB3 H 1 2.079 0.005 2 2 . . . . . 1 MET HB# . 12041 1
4 . 1 . 1 1 1 MET HG2 H 1 2.568 0.000 1 2 . . . . . 1 MET HG# . 12041 1
5 . 1 . 1 1 1 MET HG3 H 1 2.568 0.000 1 2 . . . . . 1 MET HG# . 12041 1
6 . 1 . 1 1 1 MET CA C 13 54.728 0.000 1 1 . . . . . 1 MET CA . 12041 1
7 . 1 . 1 1 1 MET CB C 13 33.620 0.000 1 1 . . . . . 1 MET CB . 12041 1
8 . 1 . 1 1 1 MET CG C 13 30.252 0.000 1 1 . . . . . 1 MET CG . 12041 1
9 . 1 . 1 2 2 ALA H H 1 8.637 0.010 8 1 . . . . . 2 ALA HN . 12041 1
10 . 1 . 1 2 2 ALA N N 15 128.014 0.084 8 1 . . . . . 2 ALA N . 12041 1
11 . 1 . 1 3 3 PRO HA H 1 4.073 0.008 10 1 . . . . . 3 PRO HA . 12041 1
12 . 1 . 1 3 3 PRO HB2 H 1 1.103 0.023 12 2 . . . . . 3 PRO HB2 . 12041 1
13 . 1 . 1 3 3 PRO HB3 H 1 0.938 0.010 8 2 . . . . . 3 PRO HB3 . 12041 1
14 . 1 . 1 3 3 PRO HD2 H 1 3.687 0.017 4 2 . . . . . 3 PRO HD2 . 12041 1
15 . 1 . 1 3 3 PRO HD3 H 1 3.441 0.007 3 2 . . . . . 3 PRO HD3 . 12041 1
16 . 1 . 1 3 3 PRO HG2 H 1 1.644 0.000 1 2 . . . . . 3 PRO HG# . 12041 1
17 . 1 . 1 3 3 PRO HG3 H 1 1.644 0.000 1 2 . . . . . 3 PRO HG# . 12041 1
18 . 1 . 1 3 3 PRO CA C 13 62.359 0.050 6 1 . . . . . 3 PRO CA . 12041 1
19 . 1 . 1 3 3 PRO CB C 13 31.060 0.073 6 1 . . . . . 3 PRO CB . 12041 1
20 . 1 . 1 3 3 PRO CD C 13 50.219 0.000 1 1 . . . . . 3 PRO CD . 12041 1
21 . 1 . 1 3 3 PRO CG C 13 27.362 0.000 1 1 . . . . . 3 PRO CG . 12041 1
22 . 1 . 1 4 4 ALA H H 1 7.869 0.008 30 1 . . . . . 4 ALA HN . 12041 1
23 . 1 . 1 4 4 ALA HA H 1 4.268 0.007 11 1 . . . . . 4 ALA HA . 12041 1
24 . 1 . 1 4 4 ALA HB1 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1
25 . 1 . 1 4 4 ALA HB2 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1
26 . 1 . 1 4 4 ALA HB3 H 1 1.266 0.008 16 1 . . . . . 4 ALA HB . 12041 1
27 . 1 . 1 4 4 ALA CA C 13 51.460 0.063 6 1 . . . . . 4 ALA CA . 12041 1
28 . 1 . 1 4 4 ALA CB C 13 18.773 0.819 10 1 . . . . . 4 ALA CB . 12041 1
29 . 1 . 1 4 4 ALA N N 15 125.768 0.226 27 1 . . . . . 4 ALA N . 12041 1
30 . 1 . 1 5 5 VAL H H 1 8.269 0.006 19 1 . . . . . 5 VAL HN . 12041 1
31 . 1 . 1 5 5 VAL HA H 1 4.537 0.029 11 1 . . . . . 5 VAL HA . 12041 1
32 . 1 . 1 5 5 VAL HB H 1 1.799 0.007 6 1 . . . . . 5 VAL HB . 12041 1
33 . 1 . 1 5 5 VAL HG11 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
34 . 1 . 1 5 5 VAL HG12 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
35 . 1 . 1 5 5 VAL HG13 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
36 . 1 . 1 5 5 VAL HG21 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
37 . 1 . 1 5 5 VAL HG22 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
38 . 1 . 1 5 5 VAL HG23 H 1 0.745 0.014 8 2 . . . . . 5 VAL HG# . 12041 1
39 . 1 . 1 5 5 VAL CA C 13 60.977 0.061 4 1 . . . . . 5 VAL CA . 12041 1
40 . 1 . 1 5 5 VAL CB C 13 33.079 0.303 3 1 . . . . . 5 VAL CB . 12041 1
41 . 1 . 1 5 5 VAL CG1 C 13 21.598 0.000 1 2 . . . . . 5 VAL CG# . 12041 1
42 . 1 . 1 5 5 VAL CG2 C 13 21.598 0.000 1 2 . . . . . 5 VAL CG# . 12041 1
43 . 1 . 1 5 5 VAL N N 15 120.436 0.161 17 1 . . . . . 5 VAL N . 12041 1
44 . 1 . 1 6 6 ILE H H 1 8.460 0.006 28 1 . . . . . 6 ILE HN . 12041 1
45 . 1 . 1 6 6 ILE HA H 1 4.282 0.012 13 1 . . . . . 6 ILE HA . 12041 1
46 . 1 . 1 6 6 ILE HB H 1 1.814 0.006 14 1 . . . . . 6 ILE HB . 12041 1
47 . 1 . 1 6 6 ILE HG12 H 1 1.351 0.008 6 2 . . . . . 6 ILE HG1# . 12041 1
48 . 1 . 1 6 6 ILE HG13 H 1 1.351 0.008 6 2 . . . . . 6 ILE HG1# . 12041 1
49 . 1 . 1 6 6 ILE HG21 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1
50 . 1 . 1 6 6 ILE HG22 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1
51 . 1 . 1 6 6 ILE HG23 H 1 0.945 0.006 17 1 . . . . . 6 ILE HG2# . 12041 1
52 . 1 . 1 6 6 ILE CA C 13 59.400 0.161 6 1 . . . . . 6 ILE CA . 12041 1
53 . 1 . 1 6 6 ILE CB C 13 39.434 0.082 7 1 . . . . . 6 ILE CB . 12041 1
54 . 1 . 1 6 6 ILE CD1 C 13 11.687 0.000 1 1 . . . . . 6 ILE CD . 12041 1
55 . 1 . 1 6 6 ILE CG1 C 13 27.292 0.000 1 1 . . . . . 6 ILE CG1 . 12041 1
56 . 1 . 1 6 6 ILE CG2 C 13 16.977 0.096 10 1 . . . . . 6 ILE CG2 . 12041 1
57 . 1 . 1 6 6 ILE N N 15 129.162 0.292 23 1 . . . . . 6 ILE N . 12041 1
58 . 1 . 1 7 7 GLU H H 1 8.877 0.009 28 1 . . . . . 7 GLU HN . 12041 1
59 . 1 . 1 7 7 GLU HA H 1 4.608 0.018 4 1 . . . . . 7 GLU HA . 12041 1
60 . 1 . 1 7 7 GLU HB2 H 1 2.006 0.010 6 2 . . . . . 7 GLU HB# . 12041 1
61 . 1 . 1 7 7 GLU HB3 H 1 2.006 0.010 6 2 . . . . . 7 GLU HB# . 12041 1
62 . 1 . 1 7 7 GLU HG2 H 1 2.226 0.017 6 2 . . . . . 7 GLU HG# . 12041 1
63 . 1 . 1 7 7 GLU HG3 H 1 2.226 0.017 6 2 . . . . . 7 GLU HG# . 12041 1
64 . 1 . 1 7 7 GLU CA C 13 55.276 0.000 1 1 . . . . . 7 GLU CA . 12041 1
65 . 1 . 1 7 7 GLU CB C 13 31.945 0.000 1 1 . . . . . 7 GLU CB . 12041 1
66 . 1 . 1 7 7 GLU CG C 13 37.196 0.000 1 1 . . . . . 7 GLU CG . 12041 1
67 . 1 . 1 7 7 GLU N N 15 129.466 0.344 26 1 . . . . . 7 GLU N . 12041 1
68 . 1 . 1 8 8 ILE H H 1 8.875 0.009 21 1 . . . . . 8 ILE HN . 12041 1
69 . 1 . 1 8 8 ILE HA H 1 4.549 0.010 14 1 . . . . . 8 ILE HA . 12041 1
70 . 1 . 1 8 8 ILE HB H 1 1.666 0.016 13 1 . . . . . 8 ILE HB . 12041 1
71 . 1 . 1 8 8 ILE HD11 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1
72 . 1 . 1 8 8 ILE HD12 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1
73 . 1 . 1 8 8 ILE HD13 H 1 0.565 0.000 8 1 . . . . . 8 ILE HD1# . 12041 1
74 . 1 . 1 8 8 ILE HG12 H 1 1.429 0.029 11 2 . . . . . 8 ILE HG12 . 12041 1
75 . 1 . 1 8 8 ILE HG13 H 1 1.257 0.016 12 2 . . . . . 8 ILE HG13 . 12041 1
76 . 1 . 1 8 8 ILE HG21 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1
77 . 1 . 1 8 8 ILE HG22 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1
78 . 1 . 1 8 8 ILE HG23 H 1 0.796 0.009 12 1 . . . . . 8 ILE HG2# . 12041 1
79 . 1 . 1 8 8 ILE CA C 13 59.167 0.030 7 1 . . . . . 8 ILE CA . 12041 1
80 . 1 . 1 8 8 ILE CB C 13 41.400 0.000 1 1 . . . . . 8 ILE CB . 12041 1
81 . 1 . 1 8 8 ILE CD1 C 13 12.183 0.447 2 1 . . . . . 8 ILE CD1 . 12041 1
82 . 1 . 1 8 8 ILE CG1 C 13 26.993 0.080 8 1 . . . . . 8 ILE CG1 . 12041 1
83 . 1 . 1 8 8 ILE CG2 C 13 17.920 0.176 9 1 . . . . . 8 ILE CG2 . 12041 1
84 . 1 . 1 8 8 ILE N N 15 126.983 0.275 19 1 . . . . . 8 ILE N . 12041 1
85 . 1 . 1 9 9 HIS H H 1 9.097 0.008 32 1 . . . . . 9 HIS HN . 12041 1
86 . 1 . 1 9 9 HIS HA H 1 5.207 0.007 20 1 . . . . . 9 HIS HA . 12041 1
87 . 1 . 1 9 9 HIS HB2 H 1 3.696 0.006 12 2 . . . . . 9 HIS HB2 . 12041 1
88 . 1 . 1 9 9 HIS HB3 H 1 2.975 0.011 11 2 . . . . . 9 HIS HB3 . 12041 1
89 . 1 . 1 9 9 HIS HE1 H 1 8.146 0.007 2 1 . . . . . 9 HIS HE1 . 12041 1
90 . 1 . 1 9 9 HIS CA C 13 54.999 0.181 11 1 . . . . . 9 HIS CA . 12041 1
91 . 1 . 1 9 9 HIS CB C 13 29.329 0.177 6 1 . . . . . 9 HIS CB . 12041 1
92 . 1 . 1 9 9 HIS N N 15 126.137 0.226 29 1 . . . . . 9 HIS N . 12041 1
93 . 1 . 1 10 10 ILE H H 1 8.704 0.009 31 1 . . . . . 10 ILE HN . 12041 1
94 . 1 . 1 10 10 ILE HA H 1 4.473 0.000 1 1 . . . . . 10 ILE HA . 12041 1
95 . 1 . 1 10 10 ILE HB H 1 1.351 0.009 2 1 . . . . . 10 ILE HB . 12041 1
96 . 1 . 1 10 10 ILE HD11 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1
97 . 1 . 1 10 10 ILE HD12 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1
98 . 1 . 1 10 10 ILE HD13 H 1 0.613 0.011 12 1 . . . . . 10 ILE HD1# . 12041 1
99 . 1 . 1 10 10 ILE HG12 H 1 0.991 0.000 1 2 . . . . . 10 ILE HG1# . 12041 1
100 . 1 . 1 10 10 ILE HG13 H 1 0.991 0.000 1 2 . . . . . 10 ILE HG1# . 12041 1
101 . 1 . 1 10 10 ILE HG21 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1
102 . 1 . 1 10 10 ILE HG22 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1
103 . 1 . 1 10 10 ILE HG23 H 1 0.840 0.000 1 1 . . . . . 10 ILE HG2# . 12041 1
104 . 1 . 1 10 10 ILE N N 15 116.520 0.149 28 1 . . . . . 10 ILE N . 12041 1
105 . 1 . 1 11 11 PRO HA H 1 5.136 0.086 5 1 . . . . . 11 PRO HA . 12041 1
106 . 1 . 1 11 11 PRO HB2 H 1 2.454 0.024 5 2 . . . . . 11 PRO HB# . 12041 1
107 . 1 . 1 11 11 PRO HB3 H 1 2.454 0.024 5 2 . . . . . 11 PRO HB# . 12041 1
108 . 1 . 1 11 11 PRO HD2 H 1 3.869 0.015 17 2 . . . . . 11 PRO HD2 . 12041 1
109 . 1 . 1 11 11 PRO HD3 H 1 3.359 0.012 11 2 . . . . . 11 PRO HD3 . 12041 1
110 . 1 . 1 11 11 PRO HG2 H 1 0.912 0.000 1 2 . . . . . 11 PRO HG# . 12041 1
111 . 1 . 1 11 11 PRO HG3 H 1 0.912 0.000 1 2 . . . . . 11 PRO HG# . 12041 1
112 . 1 . 1 11 11 PRO CA C 13 62.623 0.000 1 1 . . . . . 11 PRO CA . 12041 1
113 . 1 . 1 11 11 PRO CD C 13 50.916 0.121 12 1 . . . . . 11 PRO CD . 12041 1
114 . 1 . 1 11 11 PRO CG C 13 28.111 0.000 1 1 . . . . . 11 PRO CG . 12041 1
115 . 1 . 1 12 12 LEU H H 1 8.877 0.008 25 1 . . . . . 12 LEU HN . 12041 1
116 . 1 . 1 12 12 LEU HA H 1 3.696 0.007 7 1 . . . . . 12 LEU HA . 12041 1
117 . 1 . 1 12 12 LEU HB2 H 1 1.762 0.007 3 2 . . . . . 12 LEU HB2 . 12041 1
118 . 1 . 1 12 12 LEU HB3 H 1 1.129 0.016 6 2 . . . . . 12 LEU HB3 . 12041 1
119 . 1 . 1 12 12 LEU HD11 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
120 . 1 . 1 12 12 LEU HD12 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
121 . 1 . 1 12 12 LEU HD13 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
122 . 1 . 1 12 12 LEU HD21 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
123 . 1 . 1 12 12 LEU HD22 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
124 . 1 . 1 12 12 LEU HD23 H 1 0.631 0.023 3 2 . . . . . 12 LEU HD# . 12041 1
125 . 1 . 1 12 12 LEU HG H 1 0.762 0.008 2 1 . . . . . 12 LEU HG . 12041 1
126 . 1 . 1 12 12 LEU CA C 13 57.458 0.000 1 1 . . . . . 12 LEU CA . 12041 1
127 . 1 . 1 12 12 LEU CB C 13 42.875 0.000 1 1 . . . . . 12 LEU CB . 12041 1
128 . 1 . 1 12 12 LEU CD1 C 13 23.755 0.000 1 2 . . . . . 12 LEU CD# . 12041 1
129 . 1 . 1 12 12 LEU CD2 C 13 23.755 0.000 1 2 . . . . . 12 LEU CD# . 12041 1
130 . 1 . 1 12 12 LEU CG C 13 25.899 0.000 1 1 . . . . . 12 LEU CG . 12041 1
131 . 1 . 1 12 12 LEU N N 15 127.027 0.262 24 1 . . . . . 12 LEU N . 12041 1
132 . 1 . 1 13 13 ASP H H 1 8.787 0.008 34 1 . . . . . 13 ASP HN . 12041 1
133 . 1 . 1 13 13 ASP HA H 1 4.092 0.006 13 1 . . . . . 13 ASP HA . 12041 1
134 . 1 . 1 13 13 ASP HB2 H 1 2.601 0.017 2 2 . . . . . 13 ASP HB2 . 12041 1
135 . 1 . 1 13 13 ASP HB3 H 1 2.559 0.017 3 2 . . . . . 13 ASP HB3 . 12041 1
136 . 1 . 1 13 13 ASP CA C 13 56.747 0.103 4 1 . . . . . 13 ASP CA . 12041 1
137 . 1 . 1 13 13 ASP CB C 13 39.651 0.139 4 1 . . . . . 13 ASP CB . 12041 1
138 . 1 . 1 13 13 ASP N N 15 113.694 0.262 29 1 . . . . . 13 ASP N . 12041 1
139 . 1 . 1 14 14 ARG H H 1 7.019 0.013 28 1 . . . . . 14 ARG HN . 12041 1
140 . 1 . 1 14 14 ARG HA H 1 4.324 0.022 12 1 . . . . . 14 ARG HA . 12041 1
141 . 1 . 1 14 14 ARG HB2 H 1 1.964 0.018 10 2 . . . . . 14 ARG HB2 . 12041 1
142 . 1 . 1 14 14 ARG HB3 H 1 1.666 0.011 10 2 . . . . . 14 ARG HB3 . 12041 1
143 . 1 . 1 14 14 ARG HD2 H 1 3.267 0.011 11 2 . . . . . 14 ARG HD2 . 12041 1
144 . 1 . 1 14 14 ARG HD3 H 1 3.049 0.011 11 2 . . . . . 14 ARG HD3 . 12041 1
145 . 1 . 1 14 14 ARG HE H 1 8.484 0.003 11 1 . . . . . 14 ARG HE . 12041 1
146 . 1 . 1 14 14 ARG CA C 13 57.082 0.015 5 1 . . . . . 14 ARG CA . 12041 1
147 . 1 . 1 14 14 ARG CB C 13 30.273 0.000 1 1 . . . . . 14 ARG CB . 12041 1
148 . 1 . 1 14 14 ARG CD C 13 41.895 0.091 9 1 . . . . . 14 ARG CD . 12041 1
149 . 1 . 1 14 14 ARG CG C 13 27.894 0.000 1 1 . . . . . 14 ARG CG . 12041 1
150 . 1 . 1 14 14 ARG N N 15 114.074 0.216 19 1 . . . . . 14 ARG N . 12041 1
151 . 1 . 1 14 14 ARG NE N 15 115.065 0.018 10 1 . . . . . 14 ARG NE . 12041 1
152 . 1 . 1 15 15 ILE H H 1 7.463 0.010 31 1 . . . . . 15 ILE HN . 12041 1
153 . 1 . 1 15 15 ILE HA H 1 4.451 0.012 12 1 . . . . . 15 ILE HA . 12041 1
154 . 1 . 1 15 15 ILE HB H 1 1.425 0.014 8 1 . . . . . 15 ILE HB . 12041 1
155 . 1 . 1 15 15 ILE HD11 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1
156 . 1 . 1 15 15 ILE HD12 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1
157 . 1 . 1 15 15 ILE HD13 H 1 0.579 0.004 9 1 . . . . . 15 ILE HD1# . 12041 1
158 . 1 . 1 15 15 ILE HG12 H 1 0.948 0.002 6 2 . . . . . 15 ILE HG1# . 12041 1
159 . 1 . 1 15 15 ILE HG13 H 1 0.948 0.002 6 2 . . . . . 15 ILE HG1# . 12041 1
160 . 1 . 1 15 15 ILE CA C 13 58.018 0.030 5 1 . . . . . 15 ILE CA . 12041 1
161 . 1 . 1 15 15 ILE CB C 13 38.773 0.079 4 1 . . . . . 15 ILE CB . 12041 1
162 . 1 . 1 15 15 ILE CD1 C 13 15.607 0.000 1 1 . . . . . 15 ILE CD . 12041 1
163 . 1 . 1 15 15 ILE CG1 C 13 29.711 0.150 6 1 . . . . . 15 ILE CG1 . 12041 1
164 . 1 . 1 15 15 ILE CG2 C 13 18.764 0.000 1 1 . . . . . 15 ILE CG2 . 12041 1
165 . 1 . 1 15 15 ILE N N 15 116.495 0.196 27 1 . . . . . 15 ILE N . 12041 1
166 . 1 . 1 16 16 ARG H H 1 7.536 0.006 30 1 . . . . . 16 ARG HN . 12041 1
167 . 1 . 1 16 16 ARG HA H 1 3.768 0.019 15 1 . . . . . 16 ARG HA . 12041 1
168 . 1 . 1 16 16 ARG HB2 H 1 1.711 0.009 4 2 . . . . . 16 ARG HB2 . 12041 1
169 . 1 . 1 16 16 ARG HB3 H 1 1.673 0.000 1 2 . . . . . 16 ARG HB3 . 12041 1
170 . 1 . 1 16 16 ARG HD2 H 1 3.034 0.014 9 2 . . . . . 16 ARG HD2 . 12041 1
171 . 1 . 1 16 16 ARG HD3 H 1 2.970 0.015 8 2 . . . . . 16 ARG HD3 . 12041 1
172 . 1 . 1 16 16 ARG HE H 1 8.478 0.006 4 1 . . . . . 16 ARG HE . 12041 1
173 . 1 . 1 16 16 ARG HG2 H 1 1.537 0.010 10 2 . . . . . 16 ARG HG# . 12041 1
174 . 1 . 1 16 16 ARG HG3 H 1 1.537 0.010 10 2 . . . . . 16 ARG HG# . 12041 1
175 . 1 . 1 16 16 ARG CA C 13 57.894 0.020 4 1 . . . . . 16 ARG CA . 12041 1
176 . 1 . 1 16 16 ARG CB C 13 31.147 0.094 5 1 . . . . . 16 ARG CB . 12041 1
177 . 1 . 1 16 16 ARG CD C 13 43.813 0.027 13 1 . . . . . 16 ARG CD . 12041 1
178 . 1 . 1 16 16 ARG CG C 13 27.262 0.190 4 1 . . . . . 16 ARG CG . 12041 1
179 . 1 . 1 16 16 ARG N N 15 121.880 0.127 28 1 . . . . . 16 ARG N . 12041 1
180 . 1 . 1 16 16 ARG NE N 15 121.399 0.123 3 1 . . . . . 16 ARG NE . 12041 1
181 . 1 . 1 17 17 ASN H H 1 6.791 0.008 34 1 . . . . . 17 ASN HN . 12041 1
182 . 1 . 1 17 17 ASN HA H 1 4.472 0.015 10 1 . . . . . 17 ASN HA . 12041 1
183 . 1 . 1 17 17 ASN HB2 H 1 2.866 0.015 3 2 . . . . . 17 ASN HB2 . 12041 1
184 . 1 . 1 17 17 ASN HB3 H 1 2.820 0.002 2 2 . . . . . 17 ASN HB3 . 12041 1
185 . 1 . 1 17 17 ASN HD21 H 1 8.004 0.087 11 2 . . . . . 17 ASN HD21 . 12041 1
186 . 1 . 1 17 17 ASN HD22 H 1 7.308 0.477 3 2 . . . . . 17 ASN HD22 . 12041 1
187 . 1 . 1 17 17 ASN CA C 13 53.488 0.022 3 1 . . . . . 17 ASN CA . 12041 1
188 . 1 . 1 17 17 ASN CB C 13 39.240 0.089 3 1 . . . . . 17 ASN CB . 12041 1
189 . 1 . 1 17 17 ASN N N 15 117.386 0.177 28 1 . . . . . 17 ASN N . 12041 1
190 . 1 . 1 17 17 ASN ND2 N 15 113.676 0.028 7 1 . . . . . 17 ASN ND2 . 12041 1
191 . 1 . 1 18 18 GLU H H 1 9.079 0.007 23 1 . . . . . 18 GLU HN . 12041 1
192 . 1 . 1 18 18 GLU HA H 1 4.025 0.018 15 1 . . . . . 18 GLU HA . 12041 1
193 . 1 . 1 18 18 GLU HB2 H 1 2.126 0.000 3 2 . . . . . 18 GLU HB2 . 12041 1
194 . 1 . 1 18 18 GLU HB3 H 1 2.061 0.017 6 2 . . . . . 18 GLU HB3 . 12041 1
195 . 1 . 1 18 18 GLU HG2 H 1 2.445 0.019 12 2 . . . . . 18 GLU HG# . 12041 1
196 . 1 . 1 18 18 GLU HG3 H 1 2.445 0.019 12 2 . . . . . 18 GLU HG# . 12041 1
197 . 1 . 1 18 18 GLU CA C 13 59.246 0.067 6 1 . . . . . 18 GLU CA . 12041 1
198 . 1 . 1 18 18 GLU CB C 13 29.678 0.202 6 1 . . . . . 18 GLU CB . 12041 1
199 . 1 . 1 18 18 GLU CG C 13 36.363 0.141 5 1 . . . . . 18 GLU CG . 12041 1
200 . 1 . 1 18 18 GLU N N 15 122.627 0.161 19 1 . . . . . 18 GLU N . 12041 1
201 . 1 . 1 19 19 GLU H H 1 8.685 0.008 25 1 . . . . . 19 GLU HN . 12041 1
202 . 1 . 1 19 19 GLU HA H 1 4.249 0.011 5 1 . . . . . 19 GLU HA . 12041 1
203 . 1 . 1 19 19 GLU HB2 H 1 2.099 0.142 6 2 . . . . . 19 GLU HB# . 12041 1
204 . 1 . 1 19 19 GLU HB3 H 1 2.099 0.142 6 2 . . . . . 19 GLU HB# . 12041 1
205 . 1 . 1 19 19 GLU HG2 H 1 2.496 0.271 3 2 . . . . . 19 GLU HG# . 12041 1
206 . 1 . 1 19 19 GLU HG3 H 1 2.496 0.271 3 2 . . . . . 19 GLU HG# . 12041 1
207 . 1 . 1 19 19 GLU CA C 13 55.894 0.000 1 1 . . . . . 19 GLU CA . 12041 1
208 . 1 . 1 19 19 GLU CB C 13 27.246 0.000 1 1 . . . . . 19 GLU CB . 12041 1
209 . 1 . 1 19 19 GLU CG C 13 35.974 0.000 1 1 . . . . . 19 GLU CG . 12041 1
210 . 1 . 1 19 19 GLU N N 15 117.956 0.143 20 1 . . . . . 19 GLU N . 12041 1
211 . 1 . 1 20 20 TYR H H 1 7.167 0.009 23 1 . . . . . 20 TYR HN . 12041 1
212 . 1 . 1 20 20 TYR HA H 1 4.241 0.010 9 1 . . . . . 20 TYR HA . 12041 1
213 . 1 . 1 20 20 TYR HB2 H 1 3.586 0.005 10 2 . . . . . 20 TYR HB2 . 12041 1
214 . 1 . 1 20 20 TYR HB3 H 1 2.667 0.014 11 2 . . . . . 20 TYR HB3 . 12041 1
215 . 1 . 1 20 20 TYR HD1 H 1 6.672 0.017 4 3 . . . . . 20 TYR HD# . 12041 1
216 . 1 . 1 20 20 TYR HD2 H 1 6.672 0.017 4 3 . . . . . 20 TYR HD# . 12041 1
217 . 1 . 1 20 20 TYR HE1 H 1 6.143 0.081 11 3 . . . . . 20 TYR HE# . 12041 1
218 . 1 . 1 20 20 TYR HE2 H 1 6.143 0.081 11 3 . . . . . 20 TYR HE# . 12041 1
219 . 1 . 1 20 20 TYR CA C 13 60.148 0.048 6 1 . . . . . 20 TYR CA . 12041 1
220 . 1 . 1 20 20 TYR CB C 13 37.334 0.076 6 1 . . . . . 20 TYR CB . 12041 1
221 . 1 . 1 20 20 TYR N N 15 117.630 0.174 19 1 . . . . . 20 TYR N . 12041 1
222 . 1 . 1 21 21 ALA H H 1 6.776 0.008 25 1 . . . . . 21 ALA HN . 12041 1
223 . 1 . 1 21 21 ALA HA H 1 3.475 0.007 12 1 . . . . . 21 ALA HA . 12041 1
224 . 1 . 1 21 21 ALA HB1 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1
225 . 1 . 1 21 21 ALA HB2 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1
226 . 1 . 1 21 21 ALA HB3 H 1 0.793 0.006 7 1 . . . . . 21 ALA HB# . 12041 1
227 . 1 . 1 21 21 ALA CA C 13 53.840 0.035 6 1 . . . . . 21 ALA CA . 12041 1
228 . 1 . 1 21 21 ALA CB C 13 18.039 0.158 5 1 . . . . . 21 ALA CB . 12041 1
229 . 1 . 1 21 21 ALA N N 15 120.032 0.137 21 1 . . . . . 21 ALA N . 12041 1
230 . 1 . 1 22 22 THR H H 1 7.219 0.006 22 1 . . . . . 22 THR HN . 12041 1
231 . 1 . 1 22 22 THR HA H 1 4.350 0.113 3 1 . . . . . 22 THR HA . 12041 1
232 . 1 . 1 22 22 THR HB H 1 4.278 0.008 5 1 . . . . . 22 THR HB . 12041 1
233 . 1 . 1 22 22 THR HG1 H 1 4.842 0.001 3 1 . . . . . 22 THR HG1 . 12041 1
234 . 1 . 1 22 22 THR HG21 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1
235 . 1 . 1 22 22 THR HG22 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1
236 . 1 . 1 22 22 THR HG23 H 1 0.974 0.017 6 1 . . . . . 22 THR HG2 . 12041 1
237 . 1 . 1 22 22 THR CA C 13 59.325 0.000 1 1 . . . . . 22 THR CA . 12041 1
238 . 1 . 1 22 22 THR CB C 13 67.989 0.135 3 1 . . . . . 22 THR CB . 12041 1
239 . 1 . 1 22 22 THR CG2 C 13 20.903 0.000 1 1 . . . . . 22 THR CG . 12041 1
240 . 1 . 1 22 22 THR N N 15 103.679 0.505 20 1 . . . . . 22 THR N . 12041 1
241 . 1 . 1 23 23 ASP H H 1 7.215 0.009 26 1 . . . . . 23 ASP HN . 12041 1
242 . 1 . 1 23 23 ASP HA H 1 4.483 0.008 11 1 . . . . . 23 ASP HA . 12041 1
243 . 1 . 1 23 23 ASP HB2 H 1 3.152 0.006 12 2 . . . . . 23 ASP HB2 . 12041 1
244 . 1 . 1 23 23 ASP HB3 H 1 2.527 0.019 7 2 . . . . . 23 ASP HB3 . 12041 1
245 . 1 . 1 23 23 ASP CA C 13 53.535 0.005 3 1 . . . . . 23 ASP CA . 12041 1
246 . 1 . 1 23 23 ASP CB C 13 41.316 0.000 1 1 . . . . . 23 ASP CB . 12041 1
247 . 1 . 1 23 23 ASP N N 15 122.890 0.137 22 1 . . . . . 23 ASP N . 12041 1
248 . 1 . 1 24 24 ASP H H 1 8.717 0.007 29 1 . . . . . 24 ASP HN . 12041 1
249 . 1 . 1 24 24 ASP HA H 1 4.253 0.011 9 1 . . . . . 24 ASP HA . 12041 1
250 . 1 . 1 24 24 ASP HB2 H 1 2.573 0.015 8 2 . . . . . 24 ASP HB# . 12041 1
251 . 1 . 1 24 24 ASP HB3 H 1 2.573 0.015 8 2 . . . . . 24 ASP HB# . 12041 1
252 . 1 . 1 24 24 ASP CA C 13 57.159 0.027 3 1 . . . . . 24 ASP CA . 12041 1
253 . 1 . 1 24 24 ASP CB C 13 40.797 0.000 1 1 . . . . . 24 ASP CB . 12041 1
254 . 1 . 1 24 24 ASP N N 15 127.025 0.255 24 1 . . . . . 24 ASP N . 12041 1
255 . 1 . 1 25 25 LEU H H 1 8.154 0.006 26 1 . . . . . 25 LEU HN . 12041 1
256 . 1 . 1 25 25 LEU HA H 1 4.107 0.007 12 1 . . . . . 25 LEU HA . 12041 1
257 . 1 . 1 25 25 LEU HB2 H 1 1.683 0.016 6 2 . . . . . 25 LEU HB# . 12041 1
258 . 1 . 1 25 25 LEU HB3 H 1 1.683 0.016 6 2 . . . . . 25 LEU HB# . 12041 1
259 . 1 . 1 25 25 LEU HD11 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
260 . 1 . 1 25 25 LEU HD12 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
261 . 1 . 1 25 25 LEU HD13 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
262 . 1 . 1 25 25 LEU HD21 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
263 . 1 . 1 25 25 LEU HD22 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
264 . 1 . 1 25 25 LEU HD23 H 1 0.852 0.017 6 2 . . . . . 25 LEU HD# . 12041 1
265 . 1 . 1 25 25 LEU CA C 13 58.510 0.013 5 1 . . . . . 25 LEU CA . 12041 1
266 . 1 . 1 25 25 LEU CB C 13 40.985 0.000 1 1 . . . . . 25 LEU CB . 12041 1
267 . 1 . 1 25 25 LEU CD1 C 13 24.557 0.000 1 2 . . . . . 25 LEU CD# . 12041 1
268 . 1 . 1 25 25 LEU CD2 C 13 24.557 0.000 1 2 . . . . . 25 LEU CD# . 12041 1
269 . 1 . 1 25 25 LEU CG C 13 27.564 0.000 1 1 . . . . . 25 LEU CG . 12041 1
270 . 1 . 1 25 25 LEU N N 15 121.085 0.122 23 1 . . . . . 25 LEU N . 12041 1
271 . 1 . 1 26 26 LEU H H 1 7.550 0.008 30 1 . . . . . 26 LEU HN . 12041 1
272 . 1 . 1 26 26 LEU HA H 1 3.994 0.009 10 1 . . . . . 26 LEU HA . 12041 1
273 . 1 . 1 26 26 LEU HB2 H 1 2.008 0.010 9 2 . . . . . 26 LEU HB2 . 12041 1
274 . 1 . 1 26 26 LEU HB3 H 1 1.612 0.018 5 2 . . . . . 26 LEU HB3 . 12041 1
275 . 1 . 1 26 26 LEU HD11 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
276 . 1 . 1 26 26 LEU HD12 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
277 . 1 . 1 26 26 LEU HD13 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
278 . 1 . 1 26 26 LEU HD21 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
279 . 1 . 1 26 26 LEU HD22 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
280 . 1 . 1 26 26 LEU HD23 H 1 0.876 0.026 4 2 . . . . . 26 LEU HD# . 12041 1
281 . 1 . 1 26 26 LEU HG H 1 1.020 0.007 2 1 . . . . . 26 LEU HG . 12041 1
282 . 1 . 1 26 26 LEU CA C 13 57.371 0.053 6 1 . . . . . 26 LEU CA . 12041 1
283 . 1 . 1 26 26 LEU CB C 13 41.757 0.031 2 1 . . . . . 26 LEU CB . 12041 1
284 . 1 . 1 26 26 LEU CG C 13 25.729 0.000 1 1 . . . . . 26 LEU CG . 12041 1
285 . 1 . 1 26 26 LEU N N 15 119.492 0.141 24 1 . . . . . 26 LEU N . 12041 1
286 . 1 . 1 27 27 LEU H H 1 7.888 0.008 33 1 . . . . . 27 LEU HN . 12041 1
287 . 1 . 1 27 27 LEU HA H 1 3.804 0.004 8 1 . . . . . 27 LEU HA . 12041 1
288 . 1 . 1 27 27 LEU HB2 H 1 1.716 0.009 7 2 . . . . . 27 LEU HB2 . 12041 1
289 . 1 . 1 27 27 LEU HB3 H 1 1.368 0.016 6 2 . . . . . 27 LEU HB3 . 12041 1
290 . 1 . 1 27 27 LEU HD11 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
291 . 1 . 1 27 27 LEU HD12 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
292 . 1 . 1 27 27 LEU HD13 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
293 . 1 . 1 27 27 LEU HD21 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
294 . 1 . 1 27 27 LEU HD22 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
295 . 1 . 1 27 27 LEU HD23 H 1 0.736 0.010 6 2 . . . . . 27 LEU HD# . 12041 1
296 . 1 . 1 27 27 LEU CA C 13 58.312 0.000 1 1 . . . . . 27 LEU CA . 12041 1
297 . 1 . 1 27 27 LEU CB C 13 41.095 0.000 1 1 . . . . . 27 LEU CB . 12041 1
298 . 1 . 1 27 27 LEU CD1 C 13 24.176 0.000 1 2 . . . . . 27 LEU CD# . 12041 1
299 . 1 . 1 27 27 LEU CD2 C 13 24.176 0.000 1 2 . . . . . 27 LEU CD# . 12041 1
300 . 1 . 1 27 27 LEU CG C 13 27.071 0.000 1 1 . . . . . 27 LEU CG . 12041 1
301 . 1 . 1 27 27 LEU N N 15 118.038 0.154 28 1 . . . . . 27 LEU N . 12041 1
302 . 1 . 1 28 28 ASN H H 1 8.261 0.007 33 1 . . . . . 28 ASN HN . 12041 1
303 . 1 . 1 28 28 ASN HA H 1 4.489 0.011 8 1 . . . . . 28 ASN HA . 12041 1
304 . 1 . 1 28 28 ASN HB2 H 1 2.957 0.021 5 2 . . . . . 28 ASN HB2 . 12041 1
305 . 1 . 1 28 28 ASN HB3 H 1 2.863 0.009 4 2 . . . . . 28 ASN HB3 . 12041 1
306 . 1 . 1 28 28 ASN HD21 H 1 7.641 0.004 12 2 . . . . . 28 ASN HD21 . 12041 1
307 . 1 . 1 28 28 ASN HD22 H 1 6.979 0.010 6 2 . . . . . 28 ASN HD22 . 12041 1
308 . 1 . 1 28 28 ASN CA C 13 55.848 0.000 1 1 . . . . . 28 ASN CA . 12041 1
309 . 1 . 1 28 28 ASN CB C 13 38.123 0.130 8 1 . . . . . 28 ASN CB . 12041 1
310 . 1 . 1 28 28 ASN N N 15 118.345 0.165 28 1 . . . . . 28 ASN N . 12041 1
311 . 1 . 1 28 28 ASN ND2 N 15 113.401 0.109 14 1 . . . . . 28 ASN ND . 12041 1
312 . 1 . 1 29 29 CYS H H 1 8.109 0.007 26 1 . . . . . 29 CYS HN . 12041 1
313 . 1 . 1 29 29 CYS HA H 1 4.376 0.010 10 1 . . . . . 29 CYS HA . 12041 1
314 . 1 . 1 29 29 CYS HB2 H 1 3.335 0.006 13 2 . . . . . 29 CYS HB2 . 12041 1
315 . 1 . 1 29 29 CYS HB3 H 1 2.939 0.012 13 2 . . . . . 29 CYS HB3 . 12041 1
316 . 1 . 1 29 29 CYS CA C 13 62.797 0.035 5 1 . . . . . 29 CYS CA . 12041 1
317 . 1 . 1 29 29 CYS CB C 13 26.931 0.030 9 1 . . . . . 29 CYS CB . 12041 1
318 . 1 . 1 29 29 CYS N N 15 119.659 0.121 21 1 . . . . . 29 CYS N . 12041 1
319 . 1 . 1 30 30 LEU H H 1 7.287 0.011 28 1 . . . . . 30 LEU HN . 12041 1
320 . 1 . 1 30 30 LEU HA H 1 4.488 0.008 8 1 . . . . . 30 LEU HA . 12041 1
321 . 1 . 1 30 30 LEU HB2 H 1 2.028 0.014 9 2 . . . . . 30 LEU HB2 . 12041 1
322 . 1 . 1 30 30 LEU HB3 H 1 1.457 0.010 8 2 . . . . . 30 LEU HB3 . 12041 1
323 . 1 . 1 30 30 LEU HD11 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
324 . 1 . 1 30 30 LEU HD12 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
325 . 1 . 1 30 30 LEU HD13 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
326 . 1 . 1 30 30 LEU HD21 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
327 . 1 . 1 30 30 LEU HD22 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
328 . 1 . 1 30 30 LEU HD23 H 1 0.814 0.013 9 2 . . . . . 30 LEU HD# . 12041 1
329 . 1 . 1 30 30 LEU HG H 1 1.642 0.013 6 1 . . . . . 30 LEU HG . 12041 1
330 . 1 . 1 30 30 LEU CA C 13 54.653 0.031 5 1 . . . . . 30 LEU CA . 12041 1
331 . 1 . 1 30 30 LEU CB C 13 41.367 0.000 1 1 . . . . . 30 LEU CB . 12041 1
332 . 1 . 1 30 30 LEU CD1 C 13 25.974 0.244 2 2 . . . . . 30 LEU CD# . 12041 1
333 . 1 . 1 30 30 LEU CD2 C 13 25.974 0.244 2 2 . . . . . 30 LEU CD# . 12041 1
334 . 1 . 1 30 30 LEU CG C 13 28.873 0.000 1 1 . . . . . 30 LEU CG . 12041 1
335 . 1 . 1 30 30 LEU N N 15 118.505 0.133 22 1 . . . . . 30 LEU N . 12041 1
336 . 1 . 1 31 31 SER H H 1 7.521 0.008 31 1 . . . . . 31 SER HN . 12041 1
337 . 1 . 1 31 31 SER HA H 1 4.493 0.005 6 1 . . . . . 31 SER HA . 12041 1
338 . 1 . 1 31 31 SER HB2 H 1 4.026 0.007 4 2 . . . . . 31 SER HB# . 12041 1
339 . 1 . 1 31 31 SER HB3 H 1 4.026 0.007 4 2 . . . . . 31 SER HB# . 12041 1
340 . 1 . 1 31 31 SER HG H 1 4.839 0.002 7 1 . . . . . 31 SER HG . 12041 1
341 . 1 . 1 31 31 SER N N 15 115.982 0.218 27 1 . . . . . 31 SER N . 12041 1
342 . 1 . 1 32 32 LYS H H 1 8.519 0.006 19 1 . . . . . 32 LYS HN . 12041 1
343 . 1 . 1 32 32 LYS HA H 1 4.213 0.007 10 1 . . . . . 32 LYS HA . 12041 1
344 . 1 . 1 32 32 LYS HB2 H 1 1.884 0.014 3 2 . . . . . 32 LYS HB2 . 12041 1
345 . 1 . 1 32 32 LYS HB3 H 1 1.787 0.013 7 2 . . . . . 32 LYS HB3 . 12041 1
346 . 1 . 1 32 32 LYS HD2 H 1 1.707 0.002 2 2 . . . . . 32 LYS HD# . 12041 1
347 . 1 . 1 32 32 LYS HD3 H 1 1.707 0.002 2 2 . . . . . 32 LYS HD# . 12041 1
348 . 1 . 1 32 32 LYS HE2 H 1 2.982 0.016 3 2 . . . . . 32 LYS HE# . 12041 1
349 . 1 . 1 32 32 LYS HE3 H 1 2.982 0.016 3 2 . . . . . 32 LYS HE# . 12041 1
350 . 1 . 1 32 32 LYS HG2 H 1 1.450 0.006 4 2 . . . . . 32 LYS HG# . 12041 1
351 . 1 . 1 32 32 LYS HG3 H 1 1.450 0.006 4 2 . . . . . 32 LYS HG# . 12041 1
352 . 1 . 1 32 32 LYS HZ1 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1
353 . 1 . 1 32 32 LYS HZ2 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1
354 . 1 . 1 32 32 LYS HZ3 H 1 8.210 0.004 7 1 . . . . . 32 LYS HZ . 12041 1
355 . 1 . 1 32 32 LYS CA C 13 57.163 0.004 4 1 . . . . . 32 LYS CA . 12041 1
356 . 1 . 1 32 32 LYS CB C 13 31.600 0.118 5 1 . . . . . 32 LYS CB . 12041 1
357 . 1 . 1 32 32 LYS CD C 13 28.633 0.000 1 1 . . . . . 32 LYS CD . 12041 1
358 . 1 . 1 32 32 LYS CE C 13 41.729 0.000 1 1 . . . . . 32 LYS CE . 12041 1
359 . 1 . 1 32 32 LYS CG C 13 24.746 0.000 1 1 . . . . . 32 LYS CG . 12041 1
360 . 1 . 1 32 32 LYS N N 15 119.142 0.062 15 1 . . . . . 32 LYS N . 12041 1
361 . 1 . 1 32 32 LYS NZ N 15 120.012 0.095 6 1 . . . . . 32 LYS NZ . 12041 1
362 . 1 . 1 33 33 ILE H H 1 7.787 0.009 32 1 . . . . . 33 ILE HN . 12041 1
363 . 1 . 1 33 33 ILE HA H 1 3.946 0.010 14 1 . . . . . 33 ILE HA . 12041 1
364 . 1 . 1 33 33 ILE HB H 1 1.981 0.007 8 1 . . . . . 33 ILE HB . 12041 1
365 . 1 . 1 33 33 ILE HD11 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1
366 . 1 . 1 33 33 ILE HD12 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1
367 . 1 . 1 33 33 ILE HD13 H 1 0.586 0.129 13 1 . . . . . 33 ILE HD1# . 12041 1
368 . 1 . 1 33 33 ILE HG12 H 1 1.330 0.004 4 2 . . . . . 33 ILE HG12 . 12041 1
369 . 1 . 1 33 33 ILE HG13 H 1 1.226 0.021 3 2 . . . . . 33 ILE HG13 . 12041 1
370 . 1 . 1 33 33 ILE HG21 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1
371 . 1 . 1 33 33 ILE HG22 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1
372 . 1 . 1 33 33 ILE HG23 H 1 0.843 0.014 5 1 . . . . . 33 ILE HG2# . 12041 1
373 . 1 . 1 33 33 ILE CA C 13 61.290 0.063 6 1 . . . . . 33 ILE CA . 12041 1
374 . 1 . 1 33 33 ILE CB C 13 37.894 0.086 2 1 . . . . . 33 ILE CB . 12041 1
375 . 1 . 1 33 33 ILE CG1 C 13 27.889 0.024 6 1 . . . . . 33 ILE CG1 . 12041 1
376 . 1 . 1 33 33 ILE CG2 C 13 17.510 0.091 6 1 . . . . . 33 ILE CG2 . 12041 1
377 . 1 . 1 33 33 ILE N N 15 120.487 0.139 27 1 . . . . . 33 ILE N . 12041 1
378 . 1 . 1 34 34 GLY H H 1 7.453 0.007 30 1 . . . . . 34 GLY HN . 12041 1
379 . 1 . 1 34 34 GLY HA2 H 1 4.080 0.013 8 2 . . . . . 34 GLY HA2 . 12041 1
380 . 1 . 1 34 34 GLY HA3 H 1 3.879 0.015 8 2 . . . . . 34 GLY HA3 . 12041 1
381 . 1 . 1 34 34 GLY CA C 13 44.536 0.042 5 1 . . . . . 34 GLY CA . 12041 1
382 . 1 . 1 34 34 GLY N N 15 107.390 0.475 27 1 . . . . . 34 GLY N . 12041 1
383 . 1 . 1 35 35 ASP H H 1 8.167 0.007 23 1 . . . . . 35 ASP HN . 12041 1
384 . 1 . 1 35 35 ASP HA H 1 5.298 0.009 17 1 . . . . . 35 ASP HA . 12041 1
385 . 1 . 1 35 35 ASP HB2 H 1 3.071 0.049 8 2 . . . . . 35 ASP HB2 . 12041 1
386 . 1 . 1 35 35 ASP HB3 H 1 2.462 0.016 10 2 . . . . . 35 ASP HB3 . 12041 1
387 . 1 . 1 35 35 ASP CA C 13 55.292 0.017 3 1 . . . . . 35 ASP CA . 12041 1
388 . 1 . 1 35 35 ASP CB C 13 43.626 0.168 6 1 . . . . . 35 ASP CB . 12041 1
389 . 1 . 1 35 35 ASP N N 15 112.532 0.203 20 1 . . . . . 35 ASP N . 12041 1
390 . 1 . 1 36 36 THR H H 1 7.960 0.008 24 1 . . . . . 36 THR HN . 12041 1
391 . 1 . 1 36 36 THR HA H 1 4.752 0.098 3 1 . . . . . 36 THR HA . 12041 1
392 . 1 . 1 36 36 THR HB H 1 4.126 0.013 12 1 . . . . . 36 THR HB . 12041 1
393 . 1 . 1 36 36 THR HG1 H 1 4.841 0.000 1 1 . . . . . 36 THR HG1 . 12041 1
394 . 1 . 1 36 36 THR HG21 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1
395 . 1 . 1 36 36 THR HG22 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1
396 . 1 . 1 36 36 THR HG23 H 1 1.132 0.007 11 1 . . . . . 36 THR HG2# . 12041 1
397 . 1 . 1 36 36 THR CB C 13 69.907 0.431 7 1 . . . . . 36 THR CB . 12041 1
398 . 1 . 1 36 36 THR N N 15 113.537 0.223 21 1 . . . . . 36 THR N . 12041 1
399 . 1 . 1 37 37 PRO HA H 1 4.610 0.016 12 1 . . . . . 37 PRO HA . 12041 1
400 . 1 . 1 37 37 PRO HB2 H 1 2.404 0.010 11 2 . . . . . 37 PRO HB2 . 12041 1
401 . 1 . 1 37 37 PRO HB3 H 1 2.106 0.014 6 2 . . . . . 37 PRO HB3 . 12041 1
402 . 1 . 1 37 37 PRO HD2 H 1 3.588 0.010 5 2 . . . . . 37 PRO HD# . 12041 1
403 . 1 . 1 37 37 PRO HD3 H 1 3.588 0.010 5 2 . . . . . 37 PRO HD# . 12041 1
404 . 1 . 1 37 37 PRO HG2 H 1 1.947 0.004 6 2 . . . . . 37 PRO HG2 . 12041 1
405 . 1 . 1 37 37 PRO HG3 H 1 1.817 0.009 6 2 . . . . . 37 PRO HG3 . 12041 1
406 . 1 . 1 37 37 PRO CA C 13 62.331 0.144 6 1 . . . . . 37 PRO CA . 12041 1
407 . 1 . 1 37 37 PRO CB C 13 33.796 0.097 5 1 . . . . . 37 PRO CB . 12041 1
408 . 1 . 1 37 37 PRO CD C 13 50.036 0.000 1 1 . . . . . 37 PRO CD . 12041 1
409 . 1 . 1 37 37 PRO CG C 13 25.387 0.076 11 1 . . . . . 37 PRO CG . 12041 1
410 . 1 . 1 38 38 GLU H H 1 8.425 0.007 23 1 . . . . . 38 GLU HN . 12041 1
411 . 1 . 1 38 38 GLU HA H 1 4.146 0.007 2 1 . . . . . 38 GLU HA . 12041 1
412 . 1 . 1 38 38 GLU N N 15 120.935 0.142 22 1 . . . . . 38 GLU N . 12041 1
413 . 1 . 1 39 39 GLU HA H 1 4.131 0.021 6 1 . . . . . 39 GLU HA . 12041 1
414 . 1 . 1 39 39 GLU HB2 H 1 0.896 0.003 3 2 . . . . . 39 GLU HB2 . 12041 1
415 . 1 . 1 39 39 GLU HB3 H 1 0.600 0.018 7 2 . . . . . 39 GLU HB3 . 12041 1
416 . 1 . 1 39 39 GLU CA C 13 54.088 0.014 3 1 . . . . . 39 GLU CA . 12041 1
417 . 1 . 1 39 39 GLU CB C 13 30.982 0.000 1 1 . . . . . 39 GLU CB . 12041 1
418 . 1 . 1 39 39 GLU CG C 13 33.451 0.000 1 1 . . . . . 39 GLU CG . 12041 1
419 . 1 . 1 40 40 ASP H H 1 8.809 0.008 23 1 . . . . . 40 ASP HN . 12041 1
420 . 1 . 1 40 40 ASP HA H 1 4.179 0.009 9 1 . . . . . 40 ASP HA . 12041 1
421 . 1 . 1 40 40 ASP HB2 H 1 3.249 0.008 12 2 . . . . . 40 ASP HB2 . 12041 1
422 . 1 . 1 40 40 ASP HB3 H 1 2.439 0.011 12 2 . . . . . 40 ASP HB3 . 12041 1
423 . 1 . 1 40 40 ASP CA C 13 54.482 0.019 4 1 . . . . . 40 ASP CA . 12041 1
424 . 1 . 1 40 40 ASP CB C 13 41.320 0.064 7 1 . . . . . 40 ASP CB . 12041 1
425 . 1 . 1 40 40 ASP N N 15 125.248 0.248 19 1 . . . . . 40 ASP N . 12041 1
426 . 1 . 1 41 41 GLY H H 1 8.486 0.007 24 1 . . . . . 41 GLY HN . 12041 1
427 . 1 . 1 41 41 GLY HA2 H 1 3.978 0.010 9 2 . . . . . 41 GLY HA2 . 12041 1
428 . 1 . 1 41 41 GLY HA3 H 1 3.552 0.015 12 2 . . . . . 41 GLY HA3 . 12041 1
429 . 1 . 1 41 41 GLY CA C 13 44.967 0.243 7 1 . . . . . 41 GLY CA . 12041 1
430 . 1 . 1 41 41 GLY N N 15 130.915 0.334 21 1 . . . . . 41 GLY N . 12041 1
431 . 1 . 1 42 42 LEU H H 1 8.020 0.006 26 1 . . . . . 42 LEU HN . 12041 1
432 . 1 . 1 42 42 LEU HA H 1 4.144 0.020 2 1 . . . . . 42 LEU HA . 12041 1
433 . 1 . 1 42 42 LEU HB2 H 1 2.082 0.009 3 2 . . . . . 42 LEU HB2 . 12041 1
434 . 1 . 1 42 42 LEU HB3 H 1 1.744 0.002 2 2 . . . . . 42 LEU HB3 . 12041 1
435 . 1 . 1 42 42 LEU HD11 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
436 . 1 . 1 42 42 LEU HD12 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
437 . 1 . 1 42 42 LEU HD13 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
438 . 1 . 1 42 42 LEU HD21 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
439 . 1 . 1 42 42 LEU HD22 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
440 . 1 . 1 42 42 LEU HD23 H 1 0.961 0.006 2 2 . . . . . 42 LEU HD# . 12041 1
441 . 1 . 1 42 42 LEU HG H 1 1.343 0.002 2 1 . . . . . 42 LEU HG . 12041 1
442 . 1 . 1 42 42 LEU N N 15 121.904 0.118 22 1 . . . . . 42 LEU N . 12041 1
443 . 1 . 1 43 43 PRO HA H 1 4.495 0.004 9 1 . . . . . 43 PRO HA . 12041 1
444 . 1 . 1 43 43 PRO HB2 H 1 2.374 0.006 6 2 . . . . . 43 PRO HB2 . 12041 1
445 . 1 . 1 43 43 PRO HB3 H 1 2.054 0.012 8 2 . . . . . 43 PRO HB3 . 12041 1
446 . 1 . 1 43 43 PRO HD2 H 1 3.986 0.000 1 2 . . . . . 43 PRO HD2 . 12041 1
447 . 1 . 1 43 43 PRO HD3 H 1 3.482 0.030 3 2 . . . . . 43 PRO HD3 . 12041 1
448 . 1 . 1 43 43 PRO CA C 13 62.638 0.020 5 1 . . . . . 43 PRO CA . 12041 1
449 . 1 . 1 43 43 PRO CB C 13 32.679 0.263 3 1 . . . . . 43 PRO CB . 12041 1
450 . 1 . 1 44 44 LEU H H 1 8.193 0.007 29 1 . . . . . 44 LEU HN . 12041 1
451 . 1 . 1 44 44 LEU HA H 1 4.088 0.008 10 1 . . . . . 44 LEU HA . 12041 1
452 . 1 . 1 44 44 LEU HB2 H 1 2.059 0.010 4 2 . . . . . 44 LEU HB2 . 12041 1
453 . 1 . 1 44 44 LEU HB3 H 1 1.574 0.026 9 2 . . . . . 44 LEU HB3 . 12041 1
454 . 1 . 1 44 44 LEU HD11 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1
455 . 1 . 1 44 44 LEU HD12 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1
456 . 1 . 1 44 44 LEU HD13 H 1 1.033 0.011 21 2 . . . . . 44 LEU HD1 . 12041 1
457 . 1 . 1 44 44 LEU HD21 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1
458 . 1 . 1 44 44 LEU HD22 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1
459 . 1 . 1 44 44 LEU HD23 H 1 0.822 0.008 8 2 . . . . . 44 LEU HD2 . 12041 1
460 . 1 . 1 44 44 LEU HG H 1 1.379 0.013 8 1 . . . . . 44 LEU HG . 12041 1
461 . 1 . 1 44 44 LEU CA C 13 59.295 0.069 5 1 . . . . . 44 LEU CA . 12041 1
462 . 1 . 1 44 44 LEU CB C 13 39.154 0.000 1 1 . . . . . 44 LEU CB . 12041 1
463 . 1 . 1 44 44 LEU CD1 C 13 22.526 0.105 12 2 . . . . . 44 LEU CD# . 12041 1
464 . 1 . 1 44 44 LEU CD2 C 13 22.526 0.105 12 2 . . . . . 44 LEU CD# . 12041 1
465 . 1 . 1 44 44 LEU CG C 13 25.707 0.000 1 1 . . . . . 44 LEU CG . 12041 1
466 . 1 . 1 44 44 LEU N N 15 124.635 0.191 26 1 . . . . . 44 LEU N . 12041 1
467 . 1 . 1 45 45 ARG H H 1 7.964 0.010 37 1 . . . . . 45 ARG HN . 12041 1
468 . 1 . 1 45 45 ARG HA H 1 3.807 0.011 14 1 . . . . . 45 ARG HA . 12041 1
469 . 1 . 1 45 45 ARG HB2 H 1 2.106 0.003 2 2 . . . . . 45 ARG HB2 . 12041 1
470 . 1 . 1 45 45 ARG HB3 H 1 1.899 0.048 4 2 . . . . . 45 ARG HB3 . 12041 1
471 . 1 . 1 45 45 ARG HD2 H 1 3.199 0.012 7 2 . . . . . 45 ARG HD2 . 12041 1
472 . 1 . 1 45 45 ARG HD3 H 1 2.785 0.008 13 2 . . . . . 45 ARG HD3 . 12041 1
473 . 1 . 1 45 45 ARG HE H 1 7.832 0.003 14 1 . . . . . 45 ARG HE . 12041 1
474 . 1 . 1 45 45 ARG HG2 H 1 1.478 0.018 3 2 . . . . . 45 ARG HG# . 12041 1
475 . 1 . 1 45 45 ARG HG3 H 1 1.478 0.018 3 2 . . . . . 45 ARG HG# . 12041 1
476 . 1 . 1 45 45 ARG CA C 13 60.591 0.051 3 1 . . . . . 45 ARG CA . 12041 1
477 . 1 . 1 45 45 ARG CB C 13 31.030 0.000 1 1 . . . . . 45 ARG CB . 12041 1
478 . 1 . 1 45 45 ARG CD C 13 44.346 0.042 7 1 . . . . . 45 ARG CD . 12041 1
479 . 1 . 1 45 45 ARG CG C 13 26.115 0.000 1 1 . . . . . 45 ARG CG . 12041 1
480 . 1 . 1 45 45 ARG N N 15 112.276 0.281 33 1 . . . . . 45 ARG N . 12041 1
481 . 1 . 1 45 45 ARG NE N 15 114.681 0.017 13 1 . . . . . 45 ARG NE . 12041 1
482 . 1 . 1 46 46 THR H H 1 6.911 0.010 33 1 . . . . . 46 THR HN . 12041 1
483 . 1 . 1 46 46 THR HA H 1 3.912 0.211 8 1 . . . . . 46 THR HA . 12041 1
484 . 1 . 1 46 46 THR HB H 1 3.810 0.008 4 1 . . . . . 46 THR HB . 12041 1
485 . 1 . 1 46 46 THR HG1 H 1 4.843 0.002 2 1 . . . . . 46 THR HG1 . 12041 1
486 . 1 . 1 46 46 THR HG21 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1
487 . 1 . 1 46 46 THR HG22 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1
488 . 1 . 1 46 46 THR HG23 H 1 1.340 0.009 7 1 . . . . . 46 THR HG2 . 12041 1
489 . 1 . 1 46 46 THR CA C 13 66.659 0.043 5 1 . . . . . 46 THR CA . 12041 1
490 . 1 . 1 46 46 THR CB C 13 68.223 0.000 1 1 . . . . . 46 THR CB . 12041 1
491 . 1 . 1 46 46 THR CG2 C 13 22.056 0.059 4 1 . . . . . 46 THR CG . 12041 1
492 . 1 . 1 46 46 THR N N 15 113.719 0.308 28 1 . . . . . 46 THR N . 12041 1
493 . 1 . 1 47 47 TRP H H 1 8.517 0.007 21 1 . . . . . 47 TRP HN . 12041 1
494 . 1 . 1 47 47 TRP HA H 1 3.916 0.023 4 1 . . . . . 47 TRP HA . 12041 1
495 . 1 . 1 47 47 TRP HB2 H 1 3.554 0.013 7 2 . . . . . 47 TRP HB2 . 12041 1
496 . 1 . 1 47 47 TRP HB3 H 1 3.220 0.014 5 2 . . . . . 47 TRP HB3 . 12041 1
497 . 1 . 1 47 47 TRP HD1 H 1 7.357 0.015 11 1 . . . . . 47 TRP HD1 . 12041 1
498 . 1 . 1 47 47 TRP HE1 H 1 10.430 0.001 17 1 . . . . . 47 TRP HE1 . 12041 1
499 . 1 . 1 47 47 TRP HZ2 H 1 7.038 0.008 2 1 . . . . . 47 TRP HZ2 . 12041 1
500 . 1 . 1 47 47 TRP CA C 13 63.091 0.000 1 1 . . . . . 47 TRP CA . 12041 1
501 . 1 . 1 47 47 TRP CB C 13 28.104 0.000 1 1 . . . . . 47 TRP CB . 12041 1
502 . 1 . 1 47 47 TRP N N 15 123.311 0.135 18 1 . . . . . 47 TRP N . 12041 1
503 . 1 . 1 47 47 TRP NE1 N 15 130.234 0.019 17 1 . . . . . 47 TRP NE1 . 12041 1
504 . 1 . 1 48 48 ILE H H 1 8.642 0.007 23 1 . . . . . 48 ILE HN . 12041 1
505 . 1 . 1 48 48 ILE HA H 1 3.002 0.014 14 1 . . . . . 48 ILE HA . 12041 1
506 . 1 . 1 48 48 ILE HB H 1 1.777 0.008 10 1 . . . . . 48 ILE HB . 12041 1
507 . 1 . 1 48 48 ILE HD11 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1
508 . 1 . 1 48 48 ILE HD12 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1
509 . 1 . 1 48 48 ILE HD13 H 1 0.138 0.001 9 1 . . . . . 48 ILE HD1# . 12041 1
510 . 1 . 1 48 48 ILE HG12 H 1 0.598 0.012 8 2 . . . . . 48 ILE HG1# . 12041 1
511 . 1 . 1 48 48 ILE HG13 H 1 0.598 0.012 8 2 . . . . . 48 ILE HG1# . 12041 1
512 . 1 . 1 48 48 ILE HG21 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1
513 . 1 . 1 48 48 ILE HG22 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1
514 . 1 . 1 48 48 ILE HG23 H 1 0.580 0.000 8 1 . . . . . 48 ILE HG2# . 12041 1
515 . 1 . 1 48 48 ILE CA C 13 65.731 0.045 4 1 . . . . . 48 ILE CA . 12041 1
516 . 1 . 1 48 48 ILE CB C 13 37.690 0.174 5 1 . . . . . 48 ILE CB . 12041 1
517 . 1 . 1 48 48 ILE CD1 C 13 14.668 0.116 8 1 . . . . . 48 ILE CD . 12041 1
518 . 1 . 1 48 48 ILE CG1 C 13 29.010 0.000 1 1 . . . . . 48 ILE CG1 . 12041 1
519 . 1 . 1 48 48 ILE CG2 C 13 17.458 0.019 7 1 . . . . . 48 ILE CG2 . 12041 1
520 . 1 . 1 48 48 ILE N N 15 117.900 0.159 21 1 . . . . . 48 ILE N . 12041 1
521 . 1 . 1 49 49 LEU H H 1 7.672 0.013 34 1 . . . . . 49 LEU HN . 12041 1
522 . 1 . 1 49 49 LEU HA H 1 3.795 0.007 5 1 . . . . . 49 LEU HA . 12041 1
523 . 1 . 1 49 49 LEU HB2 H 1 2.119 0.030 4 2 . . . . . 49 LEU HB2 . 12041 1
524 . 1 . 1 49 49 LEU HB3 H 1 1.347 0.008 5 2 . . . . . 49 LEU HB3 . 12041 1
525 . 1 . 1 49 49 LEU HD11 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1
526 . 1 . 1 49 49 LEU HD12 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1
527 . 1 . 1 49 49 LEU HD13 H 1 0.779 0.011 7 2 . . . . . 49 LEU HD1# . 12041 1
528 . 1 . 1 49 49 LEU CA C 13 57.338 0.000 1 1 . . . . . 49 LEU CA . 12041 1
529 . 1 . 1 49 49 LEU CB C 13 40.973 0.000 1 1 . . . . . 49 LEU CB . 12041 1
530 . 1 . 1 49 49 LEU CD1 C 13 22.767 0.000 1 2 . . . . . 49 LEU CD# . 12041 1
531 . 1 . 1 49 49 LEU CD2 C 13 22.767 0.000 1 2 . . . . . 49 LEU CD# . 12041 1
532 . 1 . 1 49 49 LEU CG C 13 26.002 0.000 1 1 . . . . . 49 LEU CG . 12041 1
533 . 1 . 1 49 49 LEU N N 15 115.932 0.231 27 1 . . . . . 49 LEU N . 12041 1
534 . 1 . 1 50 50 ARG H H 1 8.494 0.009 32 1 . . . . . 50 ARG HN . 12041 1
535 . 1 . 1 50 50 ARG HA H 1 4.007 0.013 9 1 . . . . . 50 ARG HA . 12041 1
536 . 1 . 1 50 50 ARG HB2 H 1 1.913 0.024 6 2 . . . . . 50 ARG HB2 . 12041 1
537 . 1 . 1 50 50 ARG HB3 H 1 1.515 0.002 2 2 . . . . . 50 ARG HB3 . 12041 1
538 . 1 . 1 50 50 ARG HD2 H 1 3.217 0.001 5 2 . . . . . 50 ARG HD2 . 12041 1
539 . 1 . 1 50 50 ARG HD3 H 1 2.952 0.002 4 2 . . . . . 50 ARG HD3 . 12041 1
540 . 1 . 1 50 50 ARG HE H 1 7.083 0.010 16 1 . . . . . 50 ARG HE . 12041 1
541 . 1 . 1 50 50 ARG HG2 H 1 1.277 0.008 7 2 . . . . . 50 ARG HG# . 12041 1
542 . 1 . 1 50 50 ARG HG3 H 1 1.277 0.008 7 2 . . . . . 50 ARG HG# . 12041 1
543 . 1 . 1 50 50 ARG CA C 13 59.534 0.051 3 1 . . . . . 50 ARG CA . 12041 1
544 . 1 . 1 50 50 ARG CB C 13 29.866 0.000 1 1 . . . . . 50 ARG CB . 12041 1
545 . 1 . 1 50 50 ARG CD C 13 43.665 0.092 8 1 . . . . . 50 ARG CD . 12041 1
546 . 1 . 1 50 50 ARG CG C 13 27.153 0.000 1 1 . . . . . 50 ARG CG . 12041 1
547 . 1 . 1 50 50 ARG N N 15 120.877 0.172 28 1 . . . . . 50 ARG N . 12041 1
548 . 1 . 1 50 50 ARG NE N 15 113.909 0.029 11 1 . . . . . 50 ARG NE . 12041 1
549 . 1 . 1 51 51 GLU H H 1 8.179 0.008 30 1 . . . . . 51 GLU HN . 12041 1
550 . 1 . 1 51 51 GLU HA H 1 3.525 0.007 14 1 . . . . . 51 GLU HA . 12041 1
551 . 1 . 1 51 51 GLU HB2 H 1 1.595 0.013 7 2 . . . . . 51 GLU HB2 . 12041 1
552 . 1 . 1 51 51 GLU HB3 H 1 1.417 0.014 4 2 . . . . . 51 GLU HB3 . 12041 1
553 . 1 . 1 51 51 GLU HG2 H 1 1.064 0.010 3 2 . . . . . 51 GLU HG2 . 12041 1
554 . 1 . 1 51 51 GLU HG3 H 1 0.754 0.009 5 2 . . . . . 51 GLU HG3 . 12041 1
555 . 1 . 1 51 51 GLU CA C 13 58.233 0.022 7 1 . . . . . 51 GLU CA . 12041 1
556 . 1 . 1 51 51 GLU CB C 13 29.371 0.000 1 1 . . . . . 51 GLU CB . 12041 1
557 . 1 . 1 51 51 GLU CG C 13 35.106 0.000 1 1 . . . . . 51 GLU CG . 12041 1
558 . 1 . 1 51 51 GLU N N 15 118.286 0.137 26 1 . . . . . 51 GLU N . 12041 1
559 . 1 . 1 52 52 ALA H H 1 8.270 0.007 31 1 . . . . . 52 ALA HN . 12041 1
560 . 1 . 1 52 52 ALA HA H 1 3.893 0.007 7 1 . . . . . 52 ALA HA . 12041 1
561 . 1 . 1 52 52 ALA HB1 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1
562 . 1 . 1 52 52 ALA HB2 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1
563 . 1 . 1 52 52 ALA HB3 H 1 1.387 0.007 9 1 . . . . . 52 ALA HB . 12041 1
564 . 1 . 1 52 52 ALA CA C 13 55.100 0.014 3 1 . . . . . 52 ALA CA . 12041 1
565 . 1 . 1 52 52 ALA CB C 13 17.064 0.000 1 1 . . . . . 52 ALA CB . 12041 1
566 . 1 . 1 52 52 ALA N N 15 121.859 0.136 29 1 . . . . . 52 ALA N . 12041 1
567 . 1 . 1 53 53 HIS H H 1 8.644 0.006 23 1 . . . . . 53 HIS HN . 12041 1
568 . 1 . 1 53 53 HIS HA H 1 3.478 0.012 13 1 . . . . . 53 HIS HA . 12041 1
569 . 1 . 1 53 53 HIS HB2 H 1 2.688 0.008 10 2 . . . . . 53 HIS HB2 . 12041 1
570 . 1 . 1 53 53 HIS HB3 H 1 1.952 0.006 7 2 . . . . . 53 HIS HB3 . 12041 1
571 . 1 . 1 53 53 HIS CA C 13 59.857 0.022 7 1 . . . . . 53 HIS CA . 12041 1
572 . 1 . 1 53 53 HIS CB C 13 27.497 0.099 4 1 . . . . . 53 HIS CB . 12041 1
573 . 1 . 1 53 53 HIS N N 15 115.478 0.182 21 1 . . . . . 53 HIS N . 12041 1
574 . 1 . 1 54 54 GLN H H 1 8.600 0.009 24 1 . . . . . 54 GLN HN . 12041 1
575 . 1 . 1 54 54 GLN HA H 1 3.696 0.008 18 1 . . . . . 54 GLN HA . 12041 1
576 . 1 . 1 54 54 GLN HB2 H 1 1.978 0.008 8 2 . . . . . 54 GLN HB# . 12041 1
577 . 1 . 1 54 54 GLN HB3 H 1 1.978 0.008 8 2 . . . . . 54 GLN HB# . 12041 1
578 . 1 . 1 54 54 GLN HE21 H 1 7.377 0.007 18 2 . . . . . 54 GLN HE21 . 12041 1
579 . 1 . 1 54 54 GLN HE22 H 1 6.936 0.014 6 2 . . . . . 54 GLN HE22 . 12041 1
580 . 1 . 1 54 54 GLN HG2 H 1 2.589 0.012 14 2 . . . . . 54 GLN HG2 . 12041 1
581 . 1 . 1 54 54 GLN HG3 H 1 2.415 0.012 12 2 . . . . . 54 GLN HG3 . 12041 1
582 . 1 . 1 54 54 GLN CA C 13 58.380 0.043 7 1 . . . . . 54 GLN CA . 12041 1
583 . 1 . 1 54 54 GLN CB C 13 27.773 0.000 1 1 . . . . . 54 GLN CB . 12041 1
584 . 1 . 1 54 54 GLN CG C 13 34.596 0.074 8 1 . . . . . 54 GLN CG . 12041 1
585 . 1 . 1 54 54 GLN N N 15 115.509 0.186 20 1 . . . . . 54 GLN N . 12041 1
586 . 1 . 1 54 54 GLN NE2 N 15 111.277 0.019 17 1 . . . . . 54 GLN NE2 . 12041 1
587 . 1 . 1 55 55 ALA H H 1 7.624 0.008 27 1 . . . . . 55 ALA HN . 12041 1
588 . 1 . 1 55 55 ALA HA H 1 3.961 0.013 10 1 . . . . . 55 ALA HA . 12041 1
589 . 1 . 1 55 55 ALA HB1 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1
590 . 1 . 1 55 55 ALA HB2 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1
591 . 1 . 1 55 55 ALA HB3 H 1 1.390 0.013 10 1 . . . . . 55 ALA HB . 12041 1
592 . 1 . 1 55 55 ALA CA C 13 54.660 0.033 6 1 . . . . . 55 ALA CA . 12041 1
593 . 1 . 1 55 55 ALA CB C 13 17.920 0.141 7 1 . . . . . 55 ALA CB . 12041 1
594 . 1 . 1 55 55 ALA N N 15 121.053 0.130 23 1 . . . . . 55 ALA N . 12041 1
595 . 1 . 1 56 56 LEU H H 1 7.215 0.009 26 1 . . . . . 56 LEU HN . 12041 1
596 . 1 . 1 56 56 LEU HA H 1 3.986 0.006 12 1 . . . . . 56 LEU HA . 12041 1
597 . 1 . 1 56 56 LEU HB2 H 1 1.326 0.008 3 2 . . . . . 56 LEU HB2 . 12041 1
598 . 1 . 1 56 56 LEU HB3 H 1 1.225 0.003 3 2 . . . . . 56 LEU HB3 . 12041 1
599 . 1 . 1 56 56 LEU HD11 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1
600 . 1 . 1 56 56 LEU HD12 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1
601 . 1 . 1 56 56 LEU HD13 H 1 0.459 0.005 2 2 . . . . . 56 LEU HD1# . 12041 1
602 . 1 . 1 56 56 LEU HD21 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1
603 . 1 . 1 56 56 LEU HD22 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1
604 . 1 . 1 56 56 LEU HD23 H 1 0.264 0.002 2 2 . . . . . 56 LEU HD2# . 12041 1
605 . 1 . 1 56 56 LEU HG H 1 0.429 0.060 9 1 . . . . . 56 LEU HG . 12041 1
606 . 1 . 1 56 56 LEU CA C 13 55.844 0.056 5 1 . . . . . 56 LEU CA . 12041 1
607 . 1 . 1 56 56 LEU CB C 13 42.128 0.106 6 1 . . . . . 56 LEU CB . 12041 1
608 . 1 . 1 56 56 LEU CD1 C 13 25.239 1.183 3 2 . . . . . 56 LEU CD# . 12041 1
609 . 1 . 1 56 56 LEU CD2 C 13 25.239 1.183 3 2 . . . . . 56 LEU CD# . 12041 1
610 . 1 . 1 56 56 LEU CG C 13 25.902 0.177 2 1 . . . . . 56 LEU CG . 12041 1
611 . 1 . 1 56 56 LEU N N 15 118.791 0.124 22 1 . . . . . 56 LEU N . 12041 1
612 . 1 . 1 57 57 ILE H H 1 7.545 0.007 24 1 . . . . . 57 ILE HN . 12041 1
613 . 1 . 1 57 57 ILE HA H 1 3.565 0.010 15 1 . . . . . 57 ILE HA . 12041 1
614 . 1 . 1 57 57 ILE HB H 1 1.772 0.011 18 1 . . . . . 57 ILE HB . 12041 1
615 . 1 . 1 57 57 ILE HD11 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1
616 . 1 . 1 57 57 ILE HD12 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1
617 . 1 . 1 57 57 ILE HD13 H 1 0.554 0.007 18 1 . . . . . 57 ILE HD1# . 12041 1
618 . 1 . 1 57 57 ILE HG12 H 1 1.019 0.009 6 2 . . . . . 57 ILE HG12 . 12041 1
619 . 1 . 1 57 57 ILE HG13 H 1 0.959 0.005 5 2 . . . . . 57 ILE HG13 . 12041 1
620 . 1 . 1 57 57 ILE HG21 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1
621 . 1 . 1 57 57 ILE HG22 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1
622 . 1 . 1 57 57 ILE HG23 H 1 0.711 0.011 16 1 . . . . . 57 ILE HG2# . 12041 1
623 . 1 . 1 57 57 ILE CA C 13 62.366 0.045 6 1 . . . . . 57 ILE CA . 12041 1
624 . 1 . 1 57 57 ILE CB C 13 36.122 0.056 5 1 . . . . . 57 ILE CB . 12041 1
625 . 1 . 1 57 57 ILE CG1 C 13 27.503 0.045 9 1 . . . . . 57 ILE CG1 . 12041 1
626 . 1 . 1 57 57 ILE CG2 C 13 17.450 0.101 6 1 . . . . . 57 ILE CG2 . 12041 1
627 . 1 . 1 57 57 ILE N N 15 117.627 0.165 23 1 . . . . . 57 ILE N . 12041 1
628 . 1 . 1 58 58 LYS H H 1 7.147 0.008 20 1 . . . . . 58 LYS HN . 12041 1
629 . 1 . 1 58 58 LYS HA H 1 4.026 0.011 8 1 . . . . . 58 LYS HA . 12041 1
630 . 1 . 1 58 58 LYS HB2 H 1 1.812 0.013 13 2 . . . . . 58 LYS HB# . 12041 1
631 . 1 . 1 58 58 LYS HB3 H 1 1.812 0.013 13 2 . . . . . 58 LYS HB# . 12041 1
632 . 1 . 1 58 58 LYS HD2 H 1 1.617 0.006 7 2 . . . . . 58 LYS HD# . 12041 1
633 . 1 . 1 58 58 LYS HD3 H 1 1.617 0.006 7 2 . . . . . 58 LYS HD# . 12041 1
634 . 1 . 1 58 58 LYS HE2 H 1 2.912 0.018 6 2 . . . . . 58 LYS HE# . 12041 1
635 . 1 . 1 58 58 LYS HE3 H 1 2.912 0.018 6 2 . . . . . 58 LYS HE# . 12041 1
636 . 1 . 1 58 58 LYS HG2 H 1 1.405 0.026 7 2 . . . . . 58 LYS HG# . 12041 1
637 . 1 . 1 58 58 LYS HG3 H 1 1.405 0.026 7 2 . . . . . 58 LYS HG# . 12041 1
638 . 1 . 1 58 58 LYS CA C 13 58.017 0.032 4 1 . . . . . 58 LYS CA . 12041 1
639 . 1 . 1 58 58 LYS CB C 13 32.844 0.042 5 1 . . . . . 58 LYS CB . 12041 1
640 . 1 . 1 58 58 LYS CD C 13 28.885 0.062 5 1 . . . . . 58 LYS CD . 12041 1
641 . 1 . 1 58 58 LYS CE C 13 42.577 0.432 2 1 . . . . . 58 LYS CE . 12041 1
642 . 1 . 1 58 58 LYS CG C 13 24.926 0.000 1 1 . . . . . 58 LYS CG . 12041 1
643 . 1 . 1 58 58 LYS N N 15 117.627 0.158 18 1 . . . . . 58 LYS N . 12041 1
644 . 1 . 1 59 59 SER H H 1 7.553 0.008 31 1 . . . . . 59 SER HN . 12041 1
645 . 1 . 1 59 59 SER HA H 1 4.811 0.011 8 1 . . . . . 59 SER HA . 12041 1
646 . 1 . 1 59 59 SER HB2 H 1 3.928 0.030 6 2 . . . . . 59 SER HB2 . 12041 1
647 . 1 . 1 59 59 SER HB3 H 1 3.663 0.001 6 2 . . . . . 59 SER HB3 . 12041 1
648 . 1 . 1 59 59 SER CB C 13 63.189 0.015 7 1 . . . . . 59 SER CB . 12041 1
649 . 1 . 1 59 59 SER N N 15 113.583 0.291 27 1 . . . . . 59 SER N . 12041 1
650 . 1 . 1 60 60 PRO HA H 1 4.572 0.006 15 1 . . . . . 60 PRO HA . 12041 1
651 . 1 . 1 60 60 PRO HB2 H 1 2.343 0.011 16 2 . . . . . 60 PRO HB2 . 12041 1
652 . 1 . 1 60 60 PRO HB3 H 1 1.865 0.031 7 2 . . . . . 60 PRO HB3 . 12041 1
653 . 1 . 1 60 60 PRO HD2 H 1 3.617 0.030 15 2 . . . . . 60 PRO HD2 . 12041 1
654 . 1 . 1 60 60 PRO HD3 H 1 3.372 0.009 12 2 . . . . . 60 PRO HD3 . 12041 1
655 . 1 . 1 60 60 PRO HG2 H 1 1.901 0.003 6 2 . . . . . 60 PRO HG# . 12041 1
656 . 1 . 1 60 60 PRO HG3 H 1 1.901 0.003 6 2 . . . . . 60 PRO HG# . 12041 1
657 . 1 . 1 60 60 PRO CA C 13 64.352 0.041 7 1 . . . . . 60 PRO CA . 12041 1
658 . 1 . 1 60 60 PRO CB C 13 32.852 0.038 9 1 . . . . . 60 PRO CB . 12041 1
659 . 1 . 1 60 60 PRO CD C 13 50.116 0.124 11 1 . . . . . 60 PRO CD . 12041 1
660 . 1 . 1 60 60 PRO CG C 13 27.081 0.041 6 1 . . . . . 60 PRO CG . 12041 1
661 . 1 . 1 61 61 LYS H H 1 8.333 0.007 31 1 . . . . . 61 LYS HN . 12041 1
662 . 1 . 1 61 61 LYS HA H 1 4.208 0.006 5 1 . . . . . 61 LYS HA . 12041 1
663 . 1 . 1 61 61 LYS HB2 H 1 1.905 0.012 3 2 . . . . . 61 LYS HB2 . 12041 1
664 . 1 . 1 61 61 LYS HB3 H 1 1.717 0.002 3 2 . . . . . 61 LYS HB3 . 12041 1
665 . 1 . 1 61 61 LYS HD2 H 1 1.627 0.000 1 2 . . . . . 61 LYS HD# . 12041 1
666 . 1 . 1 61 61 LYS HD3 H 1 1.627 0.000 1 2 . . . . . 61 LYS HD# . 12041 1
667 . 1 . 1 61 61 LYS HE2 H 1 2.923 0.005 3 2 . . . . . 61 LYS HE# . 12041 1
668 . 1 . 1 61 61 LYS HE3 H 1 2.923 0.005 3 2 . . . . . 61 LYS HE# . 12041 1
669 . 1 . 1 61 61 LYS HG2 H 1 1.364 0.005 3 2 . . . . . 61 LYS HG# . 12041 1
670 . 1 . 1 61 61 LYS HG3 H 1 1.364 0.005 3 2 . . . . . 61 LYS HG# . 12041 1
671 . 1 . 1 61 61 LYS CA C 13 55.785 0.000 1 1 . . . . . 61 LYS CA . 12041 1
672 . 1 . 1 61 61 LYS CB C 13 31.515 0.000 1 1 . . . . . 61 LYS CB . 12041 1
673 . 1 . 1 61 61 LYS CD C 13 28.738 0.000 1 1 . . . . . 61 LYS CD . 12041 1
674 . 1 . 1 61 61 LYS CE C 13 41.565 0.000 1 1 . . . . . 61 LYS CE . 12041 1
675 . 1 . 1 61 61 LYS CG C 13 24.870 0.000 1 1 . . . . . 61 LYS CG . 12041 1
676 . 1 . 1 61 61 LYS N N 15 115.511 0.215 29 1 . . . . . 61 LYS N . 12041 1
677 . 1 . 1 62 62 LEU H H 1 7.921 0.007 37 1 . . . . . 62 LEU HN . 12041 1
678 . 1 . 1 62 62 LEU HA H 1 4.028 0.007 12 1 . . . . . 62 LEU HA . 12041 1
679 . 1 . 1 62 62 LEU HB2 H 1 1.823 0.012 10 2 . . . . . 62 LEU HB2 . 12041 1
680 . 1 . 1 62 62 LEU HB3 H 1 1.625 0.017 11 2 . . . . . 62 LEU HB3 . 12041 1
681 . 1 . 1 62 62 LEU HG H 1 0.915 0.024 6 1 . . . . . 62 LEU HG . 12041 1
682 . 1 . 1 62 62 LEU CA C 13 56.337 0.024 5 1 . . . . . 62 LEU CA . 12041 1
683 . 1 . 1 62 62 LEU CB C 13 43.812 0.108 9 1 . . . . . 62 LEU CB . 12041 1
684 . 1 . 1 62 62 LEU CD1 C 13 24.468 0.000 1 2 . . . . . 62 LEU CD# . 12041 1
685 . 1 . 1 62 62 LEU CD2 C 13 24.468 0.000 1 2 . . . . . 62 LEU CD# . 12041 1
686 . 1 . 1 62 62 LEU N N 15 122.920 0.147 33 1 . . . . . 62 LEU N . 12041 1
687 . 1 . 1 63 63 ARG H H 1 8.924 0.008 29 1 . . . . . 63 ARG HN . 12041 1
688 . 1 . 1 63 63 ARG HA H 1 4.854 0.016 10 1 . . . . . 63 ARG HA . 12041 1
689 . 1 . 1 63 63 ARG HB2 H 1 2.250 0.002 7 2 . . . . . 63 ARG HB2 . 12041 1
690 . 1 . 1 63 63 ARG HB3 H 1 1.729 0.023 7 2 . . . . . 63 ARG HB3 . 12041 1
691 . 1 . 1 63 63 ARG HD2 H 1 3.435 0.006 9 2 . . . . . 63 ARG HD2 . 12041 1
692 . 1 . 1 63 63 ARG HD3 H 1 3.217 0.010 5 2 . . . . . 63 ARG HD3 . 12041 1
693 . 1 . 1 63 63 ARG HE H 1 7.647 0.013 11 1 . . . . . 63 ARG HE . 12041 1
694 . 1 . 1 63 63 ARG CA C 13 54.104 0.000 1 1 . . . . . 63 ARG CA . 12041 1
695 . 1 . 1 63 63 ARG CB C 13 31.061 0.230 3 1 . . . . . 63 ARG CB . 12041 1
696 . 1 . 1 63 63 ARG CD C 13 42.292 0.052 4 1 . . . . . 63 ARG CD . 12041 1
697 . 1 . 1 63 63 ARG CG C 13 26.400 0.000 1 1 . . . . . 63 ARG CG . 12041 1
698 . 1 . 1 63 63 ARG N N 15 118.620 0.148 25 1 . . . . . 63 ARG N . 12041 1
699 . 1 . 1 63 63 ARG NE N 15 115.116 0.098 9 1 . . . . . 63 ARG NE . 12041 1
700 . 1 . 1 64 64 THR H H 1 7.368 0.007 41 1 . . . . . 64 THR HN . 12041 1
701 . 1 . 1 64 64 THR HA H 1 4.979 0.012 14 1 . . . . . 64 THR HA . 12041 1
702 . 1 . 1 64 64 THR HB H 1 3.893 0.007 7 1 . . . . . 64 THR HB . 12041 1
703 . 1 . 1 64 64 THR HG21 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1
704 . 1 . 1 64 64 THR HG22 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1
705 . 1 . 1 64 64 THR HG23 H 1 0.920 0.001 8 1 . . . . . 64 THR HG2# . 12041 1
706 . 1 . 1 64 64 THR CA C 13 66.498 5.832 5 1 . . . . . 64 THR CA . 12041 1
707 . 1 . 1 64 64 THR CB C 13 71.471 0.000 1 1 . . . . . 64 THR CB . 12041 1
708 . 1 . 1 64 64 THR CG2 C 13 20.101 0.113 8 1 . . . . . 64 THR CG . 12041 1
709 . 1 . 1 64 64 THR N N 15 115.180 0.218 34 1 . . . . . 64 THR N . 12041 1
710 . 1 . 1 65 65 VAL H H 1 8.611 0.008 33 1 . . . . . 65 VAL HN . 12041 1
711 . 1 . 1 65 65 VAL HA H 1 4.267 0.011 15 1 . . . . . 65 VAL HA . 12041 1
712 . 1 . 1 65 65 VAL HB H 1 1.912 0.006 11 1 . . . . . 65 VAL HB . 12041 1
713 . 1 . 1 65 65 VAL HG21 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1
714 . 1 . 1 65 65 VAL HG22 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1
715 . 1 . 1 65 65 VAL HG23 H 1 0.693 0.000 7 2 . . . . . 65 VAL HG2# . 12041 1
716 . 1 . 1 65 65 VAL CA C 13 60.376 0.144 5 1 . . . . . 65 VAL CA . 12041 1
717 . 1 . 1 65 65 VAL CB C 13 35.021 0.140 4 1 . . . . . 65 VAL CB . 12041 1
718 . 1 . 1 65 65 VAL CG1 C 13 20.983 0.000 1 2 . . . . . 65 VAL CG1 . 12041 1
719 . 1 . 1 65 65 VAL CG2 C 13 20.261 0.128 2 2 . . . . . 65 VAL CG2 . 12041 1
720 . 1 . 1 65 65 VAL N N 15 122.363 0.118 27 1 . . . . . 65 VAL N . 12041 1
721 . 1 . 1 66 66 LEU H H 1 8.391 0.012 28 1 . . . . . 66 LEU HN . 12041 1
722 . 1 . 1 66 66 LEU HA H 1 5.035 0.038 20 1 . . . . . 66 LEU HA . 12041 1
723 . 1 . 1 66 66 LEU HB2 H 1 1.684 0.009 11 2 . . . . . 66 LEU HB2 . 12041 1
724 . 1 . 1 66 66 LEU HB3 H 1 1.360 0.010 10 2 . . . . . 66 LEU HB3 . 12041 1
725 . 1 . 1 66 66 LEU HD21 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1
726 . 1 . 1 66 66 LEU HD22 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1
727 . 1 . 1 66 66 LEU HD23 H 1 0.780 0.010 6 2 . . . . . 66 LEU HD2# . 12041 1
728 . 1 . 1 66 66 LEU HG H 1 1.165 0.011 6 1 . . . . . 66 LEU HG . 12041 1
729 . 1 . 1 66 66 LEU CA C 13 53.203 0.263 8 1 . . . . . 66 LEU CA . 12041 1
730 . 1 . 1 66 66 LEU CB C 13 42.702 0.059 7 1 . . . . . 66 LEU CB . 12041 1
731 . 1 . 1 66 66 LEU CD1 C 13 25.516 0.000 1 2 . . . . . 66 LEU CD1 . 12041 1
732 . 1 . 1 66 66 LEU CD2 C 13 23.450 0.170 5 2 . . . . . 66 LEU CD2 . 12041 1
733 . 1 . 1 66 66 LEU CG C 13 26.811 0.000 1 1 . . . . . 66 LEU CG . 12041 1
734 . 1 . 1 66 66 LEU N N 15 129.442 0.333 23 1 . . . . . 66 LEU N . 12041 1
735 . 1 . 1 67 67 VAL H H 1 9.515 0.007 41 1 . . . . . 67 VAL HN . 12041 1
736 . 1 . 1 67 67 VAL HA H 1 4.378 0.007 9 1 . . . . . 67 VAL HA . 12041 1
737 . 1 . 1 67 67 VAL HB H 1 2.206 0.005 12 1 . . . . . 67 VAL HB . 12041 1
738 . 1 . 1 67 67 VAL HG11 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1
739 . 1 . 1 67 67 VAL HG12 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1
740 . 1 . 1 67 67 VAL HG13 H 1 0.896 0.018 9 2 . . . . . 67 VAL HG1# . 12041 1
741 . 1 . 1 67 67 VAL HG21 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1
742 . 1 . 1 67 67 VAL HG22 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1
743 . 1 . 1 67 67 VAL HG23 H 1 0.927 0.000 1 2 . . . . . 67 VAL HG2# . 12041 1
744 . 1 . 1 67 67 VAL CA C 13 61.208 0.035 4 1 . . . . . 67 VAL CA . 12041 1
745 . 1 . 1 67 67 VAL CB C 13 33.719 0.148 5 1 . . . . . 67 VAL CB . 12041 1
746 . 1 . 1 67 67 VAL CG1 C 13 23.256 0.044 2 2 . . . . . 67 VAL CG1 . 12041 1
747 . 1 . 1 67 67 VAL CG2 C 13 21.631 0.061 2 2 . . . . . 67 VAL CG2 . 12041 1
748 . 1 . 1 67 67 VAL N N 15 126.476 0.228 35 1 . . . . . 67 VAL N . 12041 1
749 . 1 . 1 68 68 LYS H H 1 8.819 0.008 26 1 . . . . . 68 LYS HN . 12041 1
750 . 1 . 1 68 68 LYS HD2 H 1 1.664 0.009 4 2 . . . . . 68 LYS HD# . 12041 1
751 . 1 . 1 68 68 LYS HD3 H 1 1.664 0.009 4 2 . . . . . 68 LYS HD# . 12041 1
752 . 1 . 1 68 68 LYS HG2 H 1 1.310 0.000 1 2 . . . . . 68 LYS HG# . 12041 1
753 . 1 . 1 68 68 LYS HG3 H 1 1.310 0.000 1 2 . . . . . 68 LYS HG# . 12041 1
754 . 1 . 1 68 68 LYS N N 15 124.772 0.172 23 1 . . . . . 68 LYS N . 12041 1
755 . 1 . 1 69 69 PRO HA H 1 4.038 0.004 3 1 . . . . . 69 PRO HA . 12041 1
756 . 1 . 1 69 69 PRO HB2 H 1 1.933 0.004 5 2 . . . . . 69 PRO HB# . 12041 1
757 . 1 . 1 69 69 PRO HB3 H 1 1.933 0.004 5 2 . . . . . 69 PRO HB# . 12041 1
758 . 1 . 1 69 69 PRO HD3 H 1 2.429 0.000 1 2 . . . . . 69 PRO HD# . 12041 1
759 . 1 . 1 69 69 PRO HG2 H 1 2.087 0.003 2 2 . . . . . 69 PRO HG# . 12041 1
760 . 1 . 1 69 69 PRO HG3 H 1 2.087 0.003 2 2 . . . . . 69 PRO HG# . 12041 1
761 . 1 . 1 69 69 PRO CA C 13 63.030 0.000 1 1 . . . . . 69 PRO CA . 12041 1
762 . 1 . 1 69 69 PRO CB C 13 31.651 0.000 1 1 . . . . . 69 PRO CB . 12041 1
763 . 1 . 1 69 69 PRO CD C 13 50.955 0.000 1 1 . . . . . 69 PRO CD . 12041 1
764 . 1 . 1 69 69 PRO CG C 13 28.153 0.000 1 1 . . . . . 69 PRO CG . 12041 1
765 . 1 . 1 70 70 GLN H H 1 9.443 0.194 26 1 . . . . . 70 GLN HN . 12041 1
766 . 1 . 1 70 70 GLN HA H 1 4.242 0.006 8 1 . . . . . 70 GLN HA . 12041 1
767 . 1 . 1 70 70 GLN HB2 H 1 2.127 0.013 9 2 . . . . . 70 GLN HB2 . 12041 1
768 . 1 . 1 70 70 GLN HB3 H 1 1.961 0.010 11 2 . . . . . 70 GLN HB3 . 12041 1
769 . 1 . 1 70 70 GLN HE21 H 1 7.601 0.005 11 2 . . . . . 70 GLN HE21 . 12041 1
770 . 1 . 1 70 70 GLN HE22 H 1 6.926 0.000 1 2 . . . . . 70 GLN HE22 . 12041 1
771 . 1 . 1 70 70 GLN HG2 H 1 2.384 0.007 13 2 . . . . . 70 GLN HG# . 12041 1
772 . 1 . 1 70 70 GLN HG3 H 1 2.384 0.007 13 2 . . . . . 70 GLN HG# . 12041 1
773 . 1 . 1 70 70 GLN CA C 13 55.960 0.000 1 1 . . . . . 70 GLN CA . 12041 1
774 . 1 . 1 70 70 GLN CB C 13 30.240 0.201 6 1 . . . . . 70 GLN CB . 12041 1
775 . 1 . 1 70 70 GLN CG C 13 34.139 0.113 6 1 . . . . . 70 GLN CG . 12041 1
776 . 1 . 1 70 70 GLN N N 15 121.230 0.146 23 1 . . . . . 70 GLN N . 12041 1
777 . 1 . 1 70 70 GLN NE2 N 15 114.061 0.041 9 1 . . . . . 70 GLN NE2 . 12041 1
778 . 1 . 1 71 71 THR H H 1 8.636 0.008 28 1 . . . . . 71 THR HN . 12041 1
779 . 1 . 1 71 71 THR HA H 1 4.011 0.011 3 1 . . . . . 71 THR HA . 12041 1
780 . 1 . 1 71 71 THR HB H 1 4.005 0.004 3 1 . . . . . 71 THR HB . 12041 1
781 . 1 . 1 71 71 THR HG1 H 1 4.841 0.001 5 1 . . . . . 71 THR HG1 . 12041 1
782 . 1 . 1 71 71 THR HG21 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1
783 . 1 . 1 71 71 THR HG22 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1
784 . 1 . 1 71 71 THR HG23 H 1 1.119 0.007 7 1 . . . . . 71 THR HG2 . 12041 1
785 . 1 . 1 71 71 THR CA C 13 66.190 1.802 2 1 . . . . . 71 THR CA . 12041 1
786 . 1 . 1 71 71 THR CB C 13 68.346 0.002 2 1 . . . . . 71 THR CB . 12041 1
787 . 1 . 1 71 71 THR N N 15 119.287 0.141 25 1 . . . . . 71 THR N . 12041 1
788 . 1 . 1 72 72 VAL H H 1 8.396 0.010 13 1 . . . . . 72 VAL HN . 12041 1
789 . 1 . 1 72 72 VAL HA H 1 3.944 0.016 11 1 . . . . . 72 VAL HA . 12041 1
790 . 1 . 1 72 72 VAL HB H 1 1.962 0.011 5 1 . . . . . 72 VAL HB . 12041 1
791 . 1 . 1 72 72 VAL HG11 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1
792 . 1 . 1 72 72 VAL HG12 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1
793 . 1 . 1 72 72 VAL HG13 H 1 0.918 0.005 5 2 . . . . . 72 VAL HG1# . 12041 1
794 . 1 . 1 72 72 VAL HG21 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1
795 . 1 . 1 72 72 VAL HG22 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1
796 . 1 . 1 72 72 VAL HG23 H 1 0.801 0.000 1 2 . . . . . 72 VAL HG2# . 12041 1
797 . 1 . 1 72 72 VAL CA C 13 62.643 0.020 4 1 . . . . . 72 VAL CA . 12041 1
798 . 1 . 1 72 72 VAL CB C 13 32.263 0.000 1 1 . . . . . 72 VAL CB . 12041 1
799 . 1 . 1 72 72 VAL CG1 C 13 21.265 0.058 4 2 . . . . . 72 VAL CG1 . 12041 1
800 . 1 . 1 72 72 VAL CG2 C 13 21.372 0.000 1 2 . . . . . 72 VAL CG2 . 12041 1
801 . 1 . 1 72 72 VAL N N 15 125.228 0.192 10 1 . . . . . 72 VAL N . 12041 1
802 . 1 . 1 73 73 LYS H H 1 8.359 0.008 19 1 . . . . . 73 LYS HN . 12041 1
803 . 1 . 1 73 73 LYS HA H 1 4.310 0.008 7 1 . . . . . 73 LYS HA . 12041 1
804 . 1 . 1 73 73 LYS HB2 H 1 1.808 0.007 6 2 . . . . . 73 LYS HB2 . 12041 1
805 . 1 . 1 73 73 LYS HB3 H 1 1.630 0.005 6 2 . . . . . 73 LYS HB3 . 12041 1
806 . 1 . 1 73 73 LYS HD2 H 1 1.335 0.007 6 2 . . . . . 73 LYS HD# . 12041 1
807 . 1 . 1 73 73 LYS HD3 H 1 1.335 0.007 6 2 . . . . . 73 LYS HD# . 12041 1
808 . 1 . 1 73 73 LYS HE2 H 1 2.948 0.005 3 2 . . . . . 73 LYS HE# . 12041 1
809 . 1 . 1 73 73 LYS HE3 H 1 2.948 0.005 3 2 . . . . . 73 LYS HE# . 12041 1
810 . 1 . 1 73 73 LYS CA C 13 55.717 0.000 1 1 . . . . . 73 LYS CA . 12041 1
811 . 1 . 1 73 73 LYS CB C 13 33.497 0.164 6 1 . . . . . 73 LYS CB . 12041 1
812 . 1 . 1 73 73 LYS CD C 13 28.706 0.000 1 1 . . . . . 73 LYS CD . 12041 1
813 . 1 . 1 73 73 LYS CE C 13 41.824 0.000 1 1 . . . . . 73 LYS CE . 12041 1
814 . 1 . 1 73 73 LYS CG C 13 23.915 0.000 1 1 . . . . . 73 LYS CG . 12041 1
815 . 1 . 1 73 73 LYS N N 15 125.317 0.223 18 1 . . . . . 73 LYS N . 12041 1
816 . 1 . 1 74 74 ASP H H 1 8.371 0.010 28 1 . . . . . 74 ASP HN . 12041 1
817 . 1 . 1 74 74 ASP HA H 1 4.365 0.004 3 1 . . . . . 74 ASP HA . 12041 1
818 . 1 . 1 74 74 ASP HB2 H 1 2.643 0.008 6 2 . . . . . 74 ASP HB# . 12041 1
819 . 1 . 1 74 74 ASP HB3 H 1 2.643 0.008 6 2 . . . . . 74 ASP HB# . 12041 1
820 . 1 . 1 74 74 ASP CA C 13 55.586 0.000 1 1 . . . . . 74 ASP CA . 12041 1
821 . 1 . 1 74 74 ASP CB C 13 40.298 0.000 1 1 . . . . . 74 ASP CB . 12041 1
822 . 1 . 1 74 74 ASP N N 15 118.747 0.181 26 1 . . . . . 74 ASP N . 12041 1
823 . 1 . 1 75 75 LYS H H 1 7.992 0.006 18 1 . . . . . 75 LYS HN . 12041 1
824 . 1 . 1 75 75 LYS HA H 1 4.545 0.032 3 1 . . . . . 75 LYS HA . 12041 1
825 . 1 . 1 75 75 LYS HB2 H 1 1.694 0.000 3 2 . . . . . 75 LYS HB2 . 12041 1
826 . 1 . 1 75 75 LYS HB3 H 1 1.614 0.031 3 2 . . . . . 75 LYS HB3 . 12041 1
827 . 1 . 1 75 75 LYS HD2 H 1 1.275 0.006 2 2 . . . . . 75 LYS HD# . 12041 1
828 . 1 . 1 75 75 LYS HD3 H 1 1.275 0.006 2 2 . . . . . 75 LYS HD# . 12041 1
829 . 1 . 1 75 75 LYS HZ1 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1
830 . 1 . 1 75 75 LYS HZ2 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1
831 . 1 . 1 75 75 LYS HZ3 H 1 7.854 0.000 1 1 . . . . . 75 LYS HZ . 12041 1
832 . 1 . 1 75 75 LYS CB C 13 32.242 0.046 5 1 . . . . . 75 LYS CB . 12041 1
833 . 1 . 1 75 75 LYS N N 15 119.138 0.139 17 1 . . . . . 75 LYS N . 12041 1
834 . 1 . 1 75 75 LYS NZ N 15 118.964 0.000 1 1 . . . . . 75 LYS NZ . 12041 1
835 . 1 . 1 76 76 PRO HA H 1 4.265 0.009 9 1 . . . . . 76 PRO HA . 12041 1
836 . 1 . 1 76 76 PRO HB2 H 1 2.248 0.001 5 2 . . . . . 76 PRO HB2 . 12041 1
837 . 1 . 1 76 76 PRO HB3 H 1 1.505 0.007 3 2 . . . . . 76 PRO HB3 . 12041 1
838 . 1 . 1 76 76 PRO HD2 H 1 3.512 0.013 5 2 . . . . . 76 PRO HD# . 12041 1
839 . 1 . 1 76 76 PRO HD3 H 1 3.512 0.013 5 2 . . . . . 76 PRO HD# . 12041 1
840 . 1 . 1 76 76 PRO CA C 13 63.319 0.014 4 1 . . . . . 76 PRO CA . 12041 1
841 . 1 . 1 76 76 PRO CB C 13 32.403 0.071 6 1 . . . . . 76 PRO CB . 12041 1
842 . 1 . 1 76 76 PRO CD C 13 50.392 0.000 1 1 . . . . . 76 PRO CD . 12041 1
843 . 1 . 1 76 76 PRO CG C 13 27.187 0.000 1 1 . . . . . 76 PRO CG . 12041 1
844 . 1 . 1 77 77 THR H H 1 8.172 0.009 17 1 . . . . . 77 THR HN . 12041 1
845 . 1 . 1 77 77 THR HA H 1 4.620 0.028 9 1 . . . . . 77 THR HA . 12041 1
846 . 1 . 1 77 77 THR HB H 1 3.645 0.009 7 1 . . . . . 77 THR HB . 12041 1
847 . 1 . 1 77 77 THR HG1 H 1 4.894 0.050 4 1 . . . . . 77 THR HG1 . 12041 1
848 . 1 . 1 77 77 THR HG21 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1
849 . 1 . 1 77 77 THR HG22 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1
850 . 1 . 1 77 77 THR HG23 H 1 0.686 0.017 12 1 . . . . . 77 THR HG2 . 12041 1
851 . 1 . 1 77 77 THR CA C 13 61.645 0.000 1 1 . . . . . 77 THR CA . 12041 1
852 . 1 . 1 77 77 THR CB C 13 71.448 0.327 5 1 . . . . . 77 THR CB . 12041 1
853 . 1 . 1 77 77 THR CG2 C 13 21.743 0.189 5 1 . . . . . 77 THR CG . 12041 1
854 . 1 . 1 77 77 THR N N 15 118.122 0.204 16 1 . . . . . 77 THR N . 12041 1
855 . 1 . 1 78 78 HIS H H 1 8.954 0.007 21 1 . . . . . 78 HIS HN . 12041 1
856 . 1 . 1 78 78 HIS HA H 1 4.983 0.012 11 1 . . . . . 78 HIS HA . 12041 1
857 . 1 . 1 78 78 HIS HB2 H 1 2.886 0.012 13 2 . . . . . 78 HIS HB# . 12041 1
858 . 1 . 1 78 78 HIS HB3 H 1 2.886 0.012 13 2 . . . . . 78 HIS HB# . 12041 1
859 . 1 . 1 78 78 HIS HD2 H 1 6.770 0.043 2 1 . . . . . 78 HIS HD2 . 12041 1
860 . 1 . 1 78 78 HIS CA C 13 51.827 0.106 5 1 . . . . . 78 HIS CA . 12041 1
861 . 1 . 1 78 78 HIS CB C 13 34.767 0.153 3 1 . . . . . 78 HIS CB . 12041 1
862 . 1 . 1 78 78 HIS N N 15 124.646 0.194 18 1 . . . . . 78 HIS N . 12041 1
863 . 1 . 1 79 79 PHE H H 1 8.672 0.009 16 1 . . . . . 79 PHE HN . 12041 1
864 . 1 . 1 79 79 PHE HA H 1 5.398 0.008 13 1 . . . . . 79 PHE HA . 12041 1
865 . 1 . 1 79 79 PHE HB2 H 1 2.836 0.019 8 2 . . . . . 79 PHE HB# . 12041 1
866 . 1 . 1 79 79 PHE HB3 H 1 2.836 0.019 8 2 . . . . . 79 PHE HB# . 12041 1
867 . 1 . 1 79 79 PHE HD1 H 1 7.144 0.103 6 3 . . . . . 79 PHE HD1 . 12041 1
868 . 1 . 1 79 79 PHE HE1 H 1 7.085 0.058 5 3 . . . . . 79 PHE HE1 . 12041 1
869 . 1 . 1 79 79 PHE CA C 13 56.251 0.019 5 1 . . . . . 79 PHE CA . 12041 1
870 . 1 . 1 79 79 PHE CB C 13 40.887 0.000 1 1 . . . . . 79 PHE CB . 12041 1
871 . 1 . 1 79 79 PHE N N 15 117.644 0.191 12 1 . . . . . 79 PHE N . 12041 1
872 . 1 . 1 80 80 GLN H H 1 9.105 0.016 26 1 . . . . . 80 GLN HN . 12041 1
873 . 1 . 1 80 80 GLN HA H 1 4.641 0.009 13 1 . . . . . 80 GLN HA . 12041 1
874 . 1 . 1 80 80 GLN HB2 H 1 1.869 0.011 6 2 . . . . . 80 GLN HB2 . 12041 1
875 . 1 . 1 80 80 GLN HB3 H 1 1.632 0.011 8 2 . . . . . 80 GLN HB3 . 12041 1
876 . 1 . 1 80 80 GLN HE21 H 1 7.112 0.004 21 2 . . . . . 80 GLN HE21 . 12041 1
877 . 1 . 1 80 80 GLN HE22 H 1 6.678 0.006 4 2 . . . . . 80 GLN HE22 . 12041 1
878 . 1 . 1 80 80 GLN HG2 H 1 2.081 0.018 4 2 . . . . . 80 GLN HG# . 12041 1
879 . 1 . 1 80 80 GLN HG3 H 1 2.081 0.018 4 2 . . . . . 80 GLN HG# . 12041 1
880 . 1 . 1 80 80 GLN CA C 13 54.248 0.051 6 1 . . . . . 80 GLN CA . 12041 1
881 . 1 . 1 80 80 GLN CB C 13 29.046 0.000 1 1 . . . . . 80 GLN CB . 12041 1
882 . 1 . 1 80 80 GLN CG C 13 33.328 0.000 1 1 . . . . . 80 GLN CG . 12041 1
883 . 1 . 1 80 80 GLN N N 15 127.255 0.285 23 1 . . . . . 80 GLN N . 12041 1
884 . 1 . 1 80 80 GLN NE2 N 15 111.896 0.023 17 1 . . . . . 80 GLN NE . 12041 1
885 . 1 . 1 81 81 ILE H H 1 9.182 0.008 33 1 . . . . . 81 ILE HN . 12041 1
886 . 1 . 1 81 81 ILE HA H 1 4.467 0.013 13 1 . . . . . 81 ILE HA . 12041 1
887 . 1 . 1 81 81 ILE HB H 1 1.918 0.006 9 1 . . . . . 81 ILE HB . 12041 1
888 . 1 . 1 81 81 ILE HG12 H 1 1.470 0.004 2 2 . . . . . 81 ILE HG12 . 12041 1
889 . 1 . 1 81 81 ILE HG13 H 1 1.094 0.022 6 2 . . . . . 81 ILE HG13 . 12041 1
890 . 1 . 1 81 81 ILE HG21 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1
891 . 1 . 1 81 81 ILE HG22 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1
892 . 1 . 1 81 81 ILE HG23 H 1 0.522 0.036 22 1 . . . . . 81 ILE HG2# . 12041 1
893 . 1 . 1 81 81 ILE CA C 13 58.557 0.076 5 1 . . . . . 81 ILE CA . 12041 1
894 . 1 . 1 81 81 ILE CB C 13 35.294 0.113 4 1 . . . . . 81 ILE CB . 12041 1
895 . 1 . 1 81 81 ILE CD1 C 13 11.232 0.000 1 1 . . . . . 81 ILE CD1 . 12041 1
896 . 1 . 1 81 81 ILE CG1 C 13 26.926 0.000 1 1 . . . . . 81 ILE CG1 . 12041 1
897 . 1 . 1 81 81 ILE CG2 C 13 18.918 0.258 14 1 . . . . . 81 ILE CG2 . 12041 1
898 . 1 . 1 81 81 ILE N N 15 128.156 0.285 28 1 . . . . . 81 ILE N . 12041 1
899 . 1 . 1 82 82 CYS H H 1 8.844 0.010 25 1 . . . . . 82 CYS HN . 12041 1
900 . 1 . 1 82 82 CYS HA H 1 4.430 0.010 13 1 . . . . . 82 CYS HA . 12041 1
901 . 1 . 1 82 82 CYS HB2 H 1 2.507 0.014 13 2 . . . . . 82 CYS HB2 . 12041 1
902 . 1 . 1 82 82 CYS HB3 H 1 1.350 0.008 11 2 . . . . . 82 CYS HB3 . 12041 1
903 . 1 . 1 82 82 CYS CA C 13 57.024 0.071 5 1 . . . . . 82 CYS CA . 12041 1
904 . 1 . 1 82 82 CYS CB C 13 28.224 0.097 7 1 . . . . . 82 CYS CB . 12041 1
905 . 1 . 1 82 82 CYS N N 15 126.097 0.215 23 1 . . . . . 82 CYS N . 12041 1
906 . 1 . 1 83 83 PHE H H 1 8.121 0.007 38 1 . . . . . 83 PHE HN . 12041 1
907 . 1 . 1 83 83 PHE HA H 1 5.379 0.008 21 1 . . . . . 83 PHE HA . 12041 1
908 . 1 . 1 83 83 PHE HB2 H 1 3.010 0.007 11 2 . . . . . 83 PHE HB2 . 12041 1
909 . 1 . 1 83 83 PHE HB3 H 1 2.771 0.007 6 2 . . . . . 83 PHE HB3 . 12041 1
910 . 1 . 1 83 83 PHE HD1 H 1 6.899 0.019 14 3 . . . . . 83 PHE HD# . 12041 1
911 . 1 . 1 83 83 PHE HD2 H 1 6.899 0.019 14 3 . . . . . 83 PHE HD# . 12041 1
912 . 1 . 1 83 83 PHE HE1 H 1 7.207 0.006 4 3 . . . . . 83 PHE HE# . 12041 1
913 . 1 . 1 83 83 PHE HE2 H 1 7.207 0.006 4 3 . . . . . 83 PHE HE# . 12041 1
914 . 1 . 1 83 83 PHE CA C 13 52.863 0.147 14 1 . . . . . 83 PHE CA . 12041 1
915 . 1 . 1 83 83 PHE CB C 13 38.413 0.000 1 1 . . . . . 83 PHE CB . 12041 1
916 . 1 . 1 83 83 PHE N N 15 122.634 0.155 33 1 . . . . . 83 PHE N . 12041 1
917 . 1 . 1 84 84 ASP H H 1 9.053 0.006 31 1 . . . . . 84 ASP HN . 12041 1
918 . 1 . 1 84 84 ASP HA H 1 4.816 0.011 6 1 . . . . . 84 ASP HA . 12041 1
919 . 1 . 1 84 84 ASP HB2 H 1 2.735 0.009 6 2 . . . . . 84 ASP HB2 . 12041 1
920 . 1 . 1 84 84 ASP HB3 H 1 2.480 0.004 4 2 . . . . . 84 ASP HB3 . 12041 1
921 . 1 . 1 84 84 ASP CA C 13 53.782 0.000 1 1 . . . . . 84 ASP CA . 12041 1
922 . 1 . 1 84 84 ASP CB C 13 41.125 0.000 1 1 . . . . . 84 ASP CB . 12041 1
923 . 1 . 1 84 84 ASP N N 15 125.358 0.204 29 1 . . . . . 84 ASP N . 12041 1
924 . 1 . 1 85 85 GLU H H 1 8.939 0.008 19 1 . . . . . 85 GLU HN . 12041 1
925 . 1 . 1 85 85 GLU HA H 1 4.401 0.011 12 1 . . . . . 85 GLU HA . 12041 1
926 . 1 . 1 85 85 GLU HB2 H 1 2.100 0.007 4 2 . . . . . 85 GLU HB2 . 12041 1
927 . 1 . 1 85 85 GLU HB3 H 1 1.861 0.012 8 2 . . . . . 85 GLU HB3 . 12041 1
928 . 1 . 1 85 85 GLU HG2 H 1 2.257 0.015 3 2 . . . . . 85 GLU HG# . 12041 1
929 . 1 . 1 85 85 GLU HG3 H 1 2.257 0.015 3 2 . . . . . 85 GLU HG# . 12041 1
930 . 1 . 1 85 85 GLU CA C 13 55.816 0.006 5 1 . . . . . 85 GLU CA . 12041 1
931 . 1 . 1 85 85 GLU CB C 13 31.248 0.043 4 1 . . . . . 85 GLU CB . 12041 1
932 . 1 . 1 85 85 GLU CG C 13 36.239 0.000 1 1 . . . . . 85 GLU CG . 12041 1
933 . 1 . 1 85 85 GLU N N 15 124.138 0.177 17 1 . . . . . 85 GLU N . 12041 1
934 . 1 . 1 86 86 LEU H H 1 8.497 0.008 17 1 . . . . . 86 LEU HN . 12041 1
935 . 1 . 1 86 86 LEU HA H 1 4.308 0.008 5 1 . . . . . 86 LEU HA . 12041 1
936 . 1 . 1 86 86 LEU HB2 H 1 1.544 0.006 3 2 . . . . . 86 LEU HB# . 12041 1
937 . 1 . 1 86 86 LEU HB3 H 1 1.544 0.006 3 2 . . . . . 86 LEU HB# . 12041 1
938 . 1 . 1 86 86 LEU HD11 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
939 . 1 . 1 86 86 LEU HD12 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
940 . 1 . 1 86 86 LEU HD13 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
941 . 1 . 1 86 86 LEU HD21 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
942 . 1 . 1 86 86 LEU HD22 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
943 . 1 . 1 86 86 LEU HD23 H 1 0.850 0.009 3 2 . . . . . 86 LEU HD# . 12041 1
944 . 1 . 1 86 86 LEU CA C 13 54.990 0.038 2 1 . . . . . 86 LEU CA . 12041 1
945 . 1 . 1 86 86 LEU CB C 13 42.371 0.000 1 1 . . . . . 86 LEU CB . 12041 1
946 . 1 . 1 86 86 LEU CD1 C 13 23.876 0.000 1 2 . . . . . 86 LEU CD# . 12041 1
947 . 1 . 1 86 86 LEU CD2 C 13 23.876 0.000 1 2 . . . . . 86 LEU CD# . 12041 1
948 . 1 . 1 86 86 LEU CG C 13 26.971 0.000 1 1 . . . . . 86 LEU CG . 12041 1
949 . 1 . 1 86 86 LEU N N 15 123.338 0.174 15 1 . . . . . 86 LEU N . 12041 1
950 . 1 . 1 87 87 GLU H H 1 8.479 0.010 9 1 . . . . . 87 GLU HN . 12041 1
951 . 1 . 1 87 87 GLU N N 15 121.634 0.196 9 1 . . . . . 87 GLU N . 12041 1
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