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 16117
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16117 1
2 '3D HNCACB' . . . 16117 1
3 '3D CBCA(CO)NH' . . . 16117 1
4 '3D HBHA(CO)NH' . . . 16117 1
5 '3D H(CCO)NH' . . . 16117 1
6 '3D C(CO)NH' . . . 16117 1
7 '3D HNCO' . . . 16117 1
8 '3D 1H-15N NOESY' . . . 16117 1
9 '3D 1H-13C NOESY(aliphatic)' . . . 16117 1
10 '3D 1H-13C NOESY(aromatic)' . . . 16117 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 THR HA H 1 4.205 0.001 . 1 . . . . 1 THR HA . 16117 1
2 . 1 1 1 1 THR HB H 1 3.928 0.022 . 1 . . . . 1 THR HB . 16117 1
3 . 1 1 1 1 THR HG21 H 1 0.935 0.073 . 1 . . . . 1 THR HG2 . 16117 1
4 . 1 1 1 1 THR HG22 H 1 0.935 0.073 . 1 . . . . 1 THR HG2 . 16117 1
5 . 1 1 1 1 THR HG23 H 1 0.935 0.073 . 1 . . . . 1 THR HG2 . 16117 1
6 . 1 1 1 1 THR CA C 13 62.469 0.5 . 1 . . . . 1 THR CA . 16117 1
7 . 1 1 1 1 THR CB C 13 69.915 0.5 . 1 . . . . 1 THR CB . 16117 1
8 . 1 1 1 1 THR CG2 C 13 21.019 0.5 . 1 . . . . 1 THR CG2 . 16117 1
9 . 1 1 2 2 THR H H 1 8.931 0.022 . 1 . . . . 2 THR HN . 16117 1
10 . 1 1 2 2 THR HA H 1 4.504 0.005 . 1 . . . . 2 THR HA . 16117 1
11 . 1 1 2 2 THR HB H 1 4.07 0.098 . 1 . . . . 2 THR HB . 16117 1
12 . 1 1 2 2 THR HG21 H 1 1.262 0.045 . 1 . . . . 2 THR HG2 . 16117 1
13 . 1 1 2 2 THR HG22 H 1 1.262 0.045 . 1 . . . . 2 THR HG2 . 16117 1
14 . 1 1 2 2 THR HG23 H 1 1.262 0.045 . 1 . . . . 2 THR HG2 . 16117 1
15 . 1 1 2 2 THR C C 13 172.828 0.5 . 1 . . . . 2 THR C . 16117 1
16 . 1 1 2 2 THR CA C 13 63.506 0.083 . 1 . . . . 2 THR CA . 16117 1
17 . 1 1 2 2 THR CB C 13 68.833 0.042 . 1 . . . . 2 THR CB . 16117 1
18 . 1 1 2 2 THR CG2 C 13 22.834 0.5 . 1 . . . . 2 THR CG2 . 16117 1
19 . 1 1 2 2 THR N N 15 124.414 0.03 . 1 . . . . 2 THR N . 16117 1
20 . 1 1 3 3 TYR H H 1 9.041 0.019 . 1 . . . . 3 TYR HN . 16117 1
21 . 1 1 3 3 TYR HA H 1 5.453 0.01 . 1 . . . . 3 TYR HA . 16117 1
22 . 1 1 3 3 TYR HB2 H 1 3.485 0.019 . 2 . . . . 3 TYR HB2 . 16117 1
23 . 1 1 3 3 TYR HB3 H 1 3.319 0.036 . 2 . . . . 3 TYR HB3 . 16117 1
24 . 1 1 3 3 TYR HD1 H 1 7.315 0.037 . 1 . . . . 3 TYR HD1 . 16117 1
25 . 1 1 3 3 TYR HD2 H 1 7.315 0.037 . 1 . . . . 3 TYR HD2 . 16117 1
26 . 1 1 3 3 TYR C C 13 174.672 0.5 . 1 . . . . 3 TYR C . 16117 1
27 . 1 1 3 3 TYR CA C 13 57.886 0.027 . 1 . . . . 3 TYR CA . 16117 1
28 . 1 1 3 3 TYR CB C 13 42.295 0.052 . 1 . . . . 3 TYR CB . 16117 1
29 . 1 1 3 3 TYR CD1 C 13 132.733 0.5 . 1 . . . . 3 TYR CD# . 16117 1
30 . 1 1 3 3 TYR CD2 C 13 132.733 0.5 . 1 . . . . 3 TYR CD# . 16117 1
31 . 1 1 3 3 TYR N N 15 127.469 0.029 . 1 . . . . 3 TYR N . 16117 1
32 . 1 1 4 4 LYS H H 1 9.046 0.014 . 1 . . . . 4 LYS HN . 16117 1
33 . 1 1 4 4 LYS HA H 1 5.547 0.017 . 1 . . . . 4 LYS HA . 16117 1
34 . 1 1 4 4 LYS HB2 H 1 2.075 0.019 . 2 . . . . 4 LYS HB2 . 16117 1
35 . 1 1 4 4 LYS HB3 H 1 2.011 0.008 . 2 . . . . 4 LYS HB3 . 16117 1
36 . 1 1 4 4 LYS HE2 H 1 2.966 0.003 . 1 . . . . 4 LYS HE2 . 16117 1
37 . 1 1 4 4 LYS HE3 H 1 2.966 0.003 . 1 . . . . 4 LYS HE3 . 16117 1
38 . 1 1 4 4 LYS HG2 H 1 1.531 0.033 . 1 . . . . 4 LYS HG2 . 16117 1
39 . 1 1 4 4 LYS HG3 H 1 1.531 0.033 . 1 . . . . 4 LYS HG3 . 16117 1
40 . 1 1 4 4 LYS C C 13 173.092 0.5 . 1 . . . . 4 LYS C . 16117 1
41 . 1 1 4 4 LYS CA C 13 55.112 0.039 . 1 . . . . 4 LYS CA . 16117 1
42 . 1 1 4 4 LYS CB C 13 35.889 0.034 . 1 . . . . 4 LYS CB . 16117 1
43 . 1 1 4 4 LYS CD C 13 30.328 0.5 . 1 . . . . 4 LYS CD . 16117 1
44 . 1 1 4 4 LYS CE C 13 41.276 0.5 . 1 . . . . 4 LYS CE . 16117 1
45 . 1 1 4 4 LYS CG C 13 25.703 0.5 . 1 . . . . 4 LYS CG . 16117 1
46 . 1 1 4 4 LYS N N 15 121.164 0.017 . 1 . . . . 4 LYS N . 16117 1
47 . 1 1 5 5 LEU H H 1 9.017 0.041 . 1 . . . . 5 LEU HN . 16117 1
48 . 1 1 5 5 LEU HA H 1 5.095 0.025 . 1 . . . . 5 LEU HA . 16117 1
49 . 1 1 5 5 LEU HB2 H 1 1.049 0.023 . 2 . . . . 5 LEU HB2 . 16117 1
50 . 1 1 5 5 LEU HB3 H 1 -0.842 0.016 . 2 . . . . 5 LEU HB3 . 16117 1
51 . 1 1 5 5 LEU HD11 H 1 0.379 0.003 . 2 . . . . 5 LEU HD1 . 16117 1
52 . 1 1 5 5 LEU HD12 H 1 0.379 0.003 . 2 . . . . 5 LEU HD1 . 16117 1
53 . 1 1 5 5 LEU HD13 H 1 0.379 0.003 . 2 . . . . 5 LEU HD1 . 16117 1
54 . 1 1 5 5 LEU HD21 H 1 0.632 0.017 . 2 . . . . 5 LEU HD2 . 16117 1
55 . 1 1 5 5 LEU HD22 H 1 0.632 0.017 . 2 . . . . 5 LEU HD2 . 16117 1
56 . 1 1 5 5 LEU HD23 H 1 0.632 0.017 . 2 . . . . 5 LEU HD2 . 16117 1
57 . 1 1 5 5 LEU HG H 1 1.612 0.014 . 1 . . . . 5 LEU HG . 16117 1
58 . 1 1 5 5 LEU C C 13 174.914 0.5 . 1 . . . . 5 LEU C . 16117 1
59 . 1 1 5 5 LEU CA C 13 52.648 0.041 . 1 . . . . 5 LEU CA . 16117 1
60 . 1 1 5 5 LEU CB C 13 43.729 0.071 . 1 . . . . 5 LEU CB . 16117 1
61 . 1 1 5 5 LEU CD2 C 13 24.064 0.5 . 1 . . . . 5 LEU CD2 . 16117 1
62 . 1 1 5 5 LEU CG C 13 25.586 0.5 . 1 . . . . 5 LEU CG . 16117 1
63 . 1 1 5 5 LEU N N 15 126.371 0.045 . 1 . . . . 5 LEU N . 16117 1
64 . 1 1 6 6 ILE H H 1 9.129 0.02 . 1 . . . . 6 ILE HN . 16117 1
65 . 1 1 6 6 ILE HA H 1 4.502 0.018 . 1 . . . . 6 ILE HA . 16117 1
66 . 1 1 6 6 ILE HB H 1 1.988 0.009 . 1 . . . . 6 ILE HB . 16117 1
67 . 1 1 6 6 ILE HD11 H 1 0.859 0.005 . 1 . . . . 6 ILE HD1 . 16117 1
68 . 1 1 6 6 ILE HD12 H 1 0.859 0.005 . 1 . . . . 6 ILE HD1 . 16117 1
69 . 1 1 6 6 ILE HD13 H 1 0.859 0.005 . 1 . . . . 6 ILE HD1 . 16117 1
70 . 1 1 6 6 ILE C C 13 174.654 0.5 . 1 . . . . 6 ILE C . 16117 1
71 . 1 1 6 6 ILE CA C 13 60.366 0.043 . 1 . . . . 6 ILE CA . 16117 1
72 . 1 1 6 6 ILE CB C 13 38.76 0.013 . 1 . . . . 6 ILE CB . 16117 1
73 . 1 1 6 6 ILE CD1 C 13 12.238 0.5 . 1 . . . . 6 ILE CD1 . 16117 1
74 . 1 1 6 6 ILE CG1 C 13 27.049 0.5 . 1 . . . . 6 ILE CG1 . 16117 1
75 . 1 1 6 6 ILE CG2 C 13 16.921 0.5 . 1 . . . . 6 ILE CG2 . 16117 1
76 . 1 1 6 6 ILE N N 15 126.264 0.027 . 1 . . . . 6 ILE N . 16117 1
77 . 1 1 7 7 LEU H H 1 8.956 0.039 . 1 . . . . 7 LEU HN . 16117 1
78 . 1 1 7 7 LEU HA H 1 4.57 0.027 . 1 . . . . 7 LEU HA . 16117 1
79 . 1 1 7 7 LEU HB2 H 1 1.761 0.033 . 2 . . . . 7 LEU HB2 . 16117 1
80 . 1 1 7 7 LEU HB3 H 1 1.27 0.021 . 2 . . . . 7 LEU HB3 . 16117 1
81 . 1 1 7 7 LEU HD11 H 1 0.728 0.037 . 2 . . . . 7 LEU HD1 . 16117 1
82 . 1 1 7 7 LEU HD12 H 1 0.728 0.037 . 2 . . . . 7 LEU HD1 . 16117 1
83 . 1 1 7 7 LEU HD13 H 1 0.728 0.037 . 2 . . . . 7 LEU HD1 . 16117 1
84 . 1 1 7 7 LEU C C 13 174.493 0.5 . 1 . . . . 7 LEU C . 16117 1
85 . 1 1 7 7 LEU CA C 13 53.644 0.037 . 1 . . . . 7 LEU CA . 16117 1
86 . 1 1 7 7 LEU CB C 13 41.339 0.01 . 1 . . . . 7 LEU CB . 16117 1
87 . 1 1 7 7 LEU CD1 C 13 24.649 0.5 . 1 . . . . 7 LEU CD1 . 16117 1
88 . 1 1 7 7 LEU CG C 13 26.171 0.5 . 1 . . . . 7 LEU CG . 16117 1
89 . 1 1 7 7 LEU N N 15 126.422 0.028 . 1 . . . . 7 LEU N . 16117 1
90 . 1 1 8 8 ASN H H 1 9.065 0.025 . 1 . . . . 8 ASN HN . 16117 1
91 . 1 1 8 8 ASN HA H 1 5.181 0.014 . 1 . . . . 8 ASN HA . 16117 1
92 . 1 1 8 8 ASN HB2 H 1 3.006 0.025 . 2 . . . . 8 ASN HB2 . 16117 1
93 . 1 1 8 8 ASN HB3 H 1 2.666 0.02 . 2 . . . . 8 ASN HB3 . 16117 1
94 . 1 1 8 8 ASN HD21 H 1 7.137 0.041 . 2 . . . . 8 ASN HD21 . 16117 1
95 . 1 1 8 8 ASN HD22 H 1 6.808 0.001 . 2 . . . . 8 ASN HD22 . 16117 1
96 . 1 1 8 8 ASN C C 13 174.434 0.5 . 1 . . . . 8 ASN C . 16117 1
97 . 1 1 8 8 ASN CA C 13 51.851 0.025 . 1 . . . . 8 ASN CA . 16117 1
98 . 1 1 8 8 ASN CB C 13 37.869 0.012 . 1 . . . . 8 ASN CB . 16117 1
99 . 1 1 8 8 ASN N N 15 125.633 0.028 . 1 . . . . 8 ASN N . 16117 1
100 . 1 1 8 8 ASN ND2 N 15 111.47 0.013 . 1 . . . . 8 ASN ND2 . 16117 1
101 . 1 1 9 9 LEU H H 1 7.72 0.028 . 1 . . . . 9 LEU HN . 16117 1
102 . 1 1 9 9 LEU HA H 1 4.754 0.026 . 1 . . . . 9 LEU HA . 16117 1
103 . 1 1 9 9 LEU HB2 H 1 2.105 0.029 . 2 . . . . 9 LEU HB2 . 16117 1
104 . 1 1 9 9 LEU HB3 H 1 1.881 0.06 . 2 . . . . 9 LEU HB3 . 16117 1
105 . 1 1 9 9 LEU HD11 H 1 0.891 0.016 . 2 . . . . 9 LEU HD1 . 16117 1
106 . 1 1 9 9 LEU HD12 H 1 0.891 0.016 . 2 . . . . 9 LEU HD1 . 16117 1
107 . 1 1 9 9 LEU HD13 H 1 0.891 0.016 . 2 . . . . 9 LEU HD1 . 16117 1
108 . 1 1 9 9 LEU HG H 1 1.573 0.011 . 1 . . . . 9 LEU HG . 16117 1
109 . 1 1 9 9 LEU C C 13 177.207 0.5 . 1 . . . . 9 LEU C . 16117 1
110 . 1 1 9 9 LEU CA C 13 53.431 0.025 . 1 . . . . 9 LEU CA . 16117 1
111 . 1 1 9 9 LEU CB C 13 41.451 0.03 . 1 . . . . 9 LEU CB . 16117 1
112 . 1 1 9 9 LEU CD1 C 13 22.659 0.5 . 1 . . . . 9 LEU CD1 . 16117 1
113 . 1 1 9 9 LEU CG C 13 26.054 0.5 . 1 . . . . 9 LEU CG . 16117 1
114 . 1 1 9 9 LEU N N 15 121.516 0.01 . 1 . . . . 9 LEU N . 16117 1
115 . 1 1 10 10 LYS H H 1 9.251 0.028 . 1 . . . . 10 LYS HN . 16117 1
116 . 1 1 10 10 LYS HA H 1 4.034 0.024 . 1 . . . . 10 LYS HA . 16117 1
117 . 1 1 10 10 LYS HB2 H 1 1.897 0.034 . 1 . . . . 10 LYS HB2 . 16117 1
118 . 1 1 10 10 LYS HB3 H 1 1.897 0.034 . 1 . . . . 10 LYS HB3 . 16117 1
119 . 1 1 10 10 LYS HE2 H 1 3.23 0.025 . 1 . . . . 10 LYS HE2 . 16117 1
120 . 1 1 10 10 LYS HE3 H 1 3.23 0.025 . 1 . . . . 10 LYS HE3 . 16117 1
121 . 1 1 10 10 LYS HG2 H 1 1.58 0.048 . 1 . . . . 10 LYS HG2 . 16117 1
122 . 1 1 10 10 LYS HG3 H 1 1.58 0.048 . 1 . . . . 10 LYS HG3 . 16117 1
123 . 1 1 10 10 LYS C C 13 179.205 0.5 . 1 . . . . 10 LYS C . 16117 1
124 . 1 1 10 10 LYS CA C 13 59.72 0.028 . 1 . . . . 10 LYS CA . 16117 1
125 . 1 1 10 10 LYS CB C 13 31.834 0.012 . 1 . . . . 10 LYS CB . 16117 1
126 . 1 1 10 10 LYS CE C 13 40.983 0.5 . 1 . . . . 10 LYS CE . 16117 1
127 . 1 1 10 10 LYS CG C 13 26.054 0.5 . 1 . . . . 10 LYS CG . 16117 1
128 . 1 1 10 10 LYS N N 15 120.915 0.024 . 1 . . . . 10 LYS N . 16117 1
129 . 1 1 11 11 GLN H H 1 8.566 0.031 . 1 . . . . 11 GLN HN . 16117 1
130 . 1 1 11 11 GLN HA H 1 4.447 0.006 . 1 . . . . 11 GLN HA . 16117 1
131 . 1 1 11 11 GLN HB2 H 1 2.333 0.028 . 2 . . . . 11 GLN HB2 . 16117 1
132 . 1 1 11 11 GLN HB3 H 1 2.026 0.015 . 2 . . . . 11 GLN HB3 . 16117 1
133 . 1 1 11 11 GLN HE21 H 1 7.637 0.048 . 2 . . . . 11 GLN HE21 . 16117 1
134 . 1 1 11 11 GLN HE22 H 1 6.918 0.004 . 2 . . . . 11 GLN HE22 . 16117 1
135 . 1 1 11 11 GLN HG2 H 1 2.405 0.022 . 1 . . . . 11 GLN HG2 . 16117 1
136 . 1 1 11 11 GLN HG3 H 1 2.405 0.022 . 1 . . . . 11 GLN HG3 . 16117 1
137 . 1 1 11 11 GLN C C 13 175.378 0.5 . 1 . . . . 11 GLN C . 16117 1
138 . 1 1 11 11 GLN CA C 13 56.019 0.02 . 1 . . . . 11 GLN CA . 16117 1
139 . 1 1 11 11 GLN CB C 13 29.175 0.024 . 1 . . . . 11 GLN CB . 16117 1
140 . 1 1 11 11 GLN CG C 13 34.192 0.5 . 1 . . . . 11 GLN CG . 16117 1
141 . 1 1 11 11 GLN N N 15 113.391 0.016 . 1 . . . . 11 GLN N . 16117 1
142 . 1 1 11 11 GLN NE2 N 15 112.169 0.029 . 1 . . . . 11 GLN NE2 . 16117 1
143 . 1 1 12 12 ALA H H 1 7.186 0.026 . 1 . . . . 12 ALA HN . 16117 1
144 . 1 1 12 12 ALA HA H 1 4.506 0.01 . 1 . . . . 12 ALA HA . 16117 1
145 . 1 1 12 12 ALA HB1 H 1 1.439 0.027 . 1 . . . . 12 ALA HB . 16117 1
146 . 1 1 12 12 ALA HB2 H 1 1.439 0.027 . 1 . . . . 12 ALA HB . 16117 1
147 . 1 1 12 12 ALA HB3 H 1 1.439 0.027 . 1 . . . . 12 ALA HB . 16117 1
148 . 1 1 12 12 ALA C C 13 174.369 0.5 . 1 . . . . 12 ALA C . 16117 1
149 . 1 1 12 12 ALA CA C 13 52.485 0.038 . 1 . . . . 12 ALA CA . 16117 1
150 . 1 1 12 12 ALA CB C 13 21.424 0.026 . 1 . . . . 12 ALA CB . 16117 1
151 . 1 1 12 12 ALA N N 15 120.106 0.005 . 1 . . . . 12 ALA N . 16117 1
152 . 1 1 13 13 LYS H H 1 8.298 0.033 . 1 . . . . 13 LYS HN . 16117 1
153 . 1 1 13 13 LYS HA H 1 5.392 0.009 . 1 . . . . 13 LYS HA . 16117 1
154 . 1 1 13 13 LYS HB2 H 1 1.83 0.052 . 1 . . . . 13 LYS HB2 . 16117 1
155 . 1 1 13 13 LYS HB3 H 1 1.83 0.052 . 1 . . . . 13 LYS HB3 . 16117 1
156 . 1 1 13 13 LYS HG2 H 1 1.493 0.037 . 1 . . . . 13 LYS HG2 . 16117 1
157 . 1 1 13 13 LYS HG3 H 1 1.493 0.037 . 1 . . . . 13 LYS HG3 . 16117 1
158 . 1 1 13 13 LYS C C 13 176.285 0.5 . 1 . . . . 13 LYS C . 16117 1
159 . 1 1 13 13 LYS CA C 13 55.138 0.039 . 1 . . . . 13 LYS CA . 16117 1
160 . 1 1 13 13 LYS CB C 13 33.656 0.015 . 1 . . . . 13 LYS CB . 16117 1
161 . 1 1 13 13 LYS CD C 13 29.625 0.5 . 1 . . . . 13 LYS CD . 16117 1
162 . 1 1 13 13 LYS CE C 13 43.208 0.5 . 1 . . . . 13 LYS CE . 16117 1
163 . 1 1 13 13 LYS CG C 13 24.591 0.5 . 1 . . . . 13 LYS CG . 16117 1
164 . 1 1 13 13 LYS N N 15 120.804 0.022 . 1 . . . . 13 LYS N . 16117 1
165 . 1 1 14 14 GLU H H 1 8.64 0.023 . 1 . . . . 14 GLU HN . 16117 1
166 . 1 1 14 14 GLU HA H 1 4.879 0.031 . 1 . . . . 14 GLU HA . 16117 1
167 . 1 1 14 14 GLU HB2 H 1 2.177 0.05 . 2 . . . . 14 GLU HB2 . 16117 1
168 . 1 1 14 14 GLU HB3 H 1 1.938 0.024 . 2 . . . . 14 GLU HB3 . 16117 1
169 . 1 1 14 14 GLU HG2 H 1 2.28 0.05 . 1 . . . . 14 GLU HG2 . 16117 1
170 . 1 1 14 14 GLU HG3 H 1 2.28 0.05 . 1 . . . . 14 GLU HG3 . 16117 1
171 . 1 1 14 14 GLU C C 13 174.032 0.5 . 1 . . . . 14 GLU C . 16117 1
172 . 1 1 14 14 GLU CA C 13 54.909 0.025 . 1 . . . . 14 GLU CA . 16117 1
173 . 1 1 14 14 GLU CB C 13 34.407 0.08 . 1 . . . . 14 GLU CB . 16117 1
174 . 1 1 14 14 GLU CG C 13 36.709 0.5 . 1 . . . . 14 GLU CG . 16117 1
175 . 1 1 14 14 GLU N N 15 123.45 0.026 . 1 . . . . 14 GLU N . 16117 1
176 . 1 1 15 15 GLU H H 1 8.642 0.024 . 1 . . . . 15 GLU HN . 16117 1
177 . 1 1 15 15 GLU HA H 1 5.631 0.019 . 1 . . . . 15 GLU HA . 16117 1
178 . 1 1 15 15 GLU HB2 H 1 2.068 0.033 . 1 . . . . 15 GLU HB2 . 16117 1
179 . 1 1 15 15 GLU HB3 H 1 2.068 0.033 . 1 . . . . 15 GLU HB3 . 16117 1
180 . 1 1 15 15 GLU HG2 H 1 2.218 0.051 . 1 . . . . 15 GLU HG2 . 16117 1
181 . 1 1 15 15 GLU HG3 H 1 2.218 0.051 . 1 . . . . 15 GLU HG3 . 16117 1
182 . 1 1 15 15 GLU C C 13 175.503 0.5 . 1 . . . . 15 GLU C . 16117 1
183 . 1 1 15 15 GLU CA C 13 54.638 0.028 . 1 . . . . 15 GLU CA . 16117 1
184 . 1 1 15 15 GLU CB C 13 34.147 0.012 . 1 . . . . 15 GLU CB . 16117 1
185 . 1 1 15 15 GLU CG C 13 37.002 0.5 . 1 . . . . 15 GLU CG . 16117 1
186 . 1 1 15 15 GLU N N 15 120.056 0.023 . 1 . . . . 15 GLU N . 16117 1
187 . 1 1 16 16 ALA H H 1 9.166 0.029 . 1 . . . . 16 ALA HN . 16117 1
188 . 1 1 16 16 ALA HA H 1 4.981 0.037 . 1 . . . . 16 ALA HA . 16117 1
189 . 1 1 16 16 ALA HB1 H 1 1.642 0.006 . 1 . . . . 16 ALA HB . 16117 1
190 . 1 1 16 16 ALA HB2 H 1 1.642 0.006 . 1 . . . . 16 ALA HB . 16117 1
191 . 1 1 16 16 ALA HB3 H 1 1.642 0.006 . 1 . . . . 16 ALA HB . 16117 1
192 . 1 1 16 16 ALA C C 13 175.027 0.5 . 1 . . . . 16 ALA C . 16117 1
193 . 1 1 16 16 ALA CA C 13 51.324 0.034 . 1 . . . . 16 ALA CA . 16117 1
194 . 1 1 16 16 ALA CB C 13 22.552 0.013 . 1 . . . . 16 ALA CB . 16117 1
195 . 1 1 16 16 ALA N N 15 124.648 0.006 . 1 . . . . 16 ALA N . 16117 1
196 . 1 1 17 17 ILE H H 1 8.645 0.028 . 1 . . . . 17 ILE HN . 16117 1
197 . 1 1 17 17 ILE HA H 1 5.672 0.027 . 1 . . . . 17 ILE HA . 16117 1
198 . 1 1 17 17 ILE HB H 1 1.987 0.01 . 1 . . . . 17 ILE HB . 16117 1
199 . 1 1 17 17 ILE HD11 H 1 0.7 0.029 . 1 . . . . 17 ILE HD1 . 16117 1
200 . 1 1 17 17 ILE HD12 H 1 0.7 0.029 . 1 . . . . 17 ILE HD1 . 16117 1
201 . 1 1 17 17 ILE HD13 H 1 0.7 0.029 . 1 . . . . 17 ILE HD1 . 16117 1
202 . 1 1 17 17 ILE HG12 H 1 1.317 0.018 . 1 . . . . 17 ILE HG12 . 16117 1
203 . 1 1 17 17 ILE HG13 H 1 1.317 0.018 . 1 . . . . 17 ILE HG13 . 16117 1
204 . 1 1 17 17 ILE HG21 H 1 1.083 0.027 . 1 . . . . 17 ILE HG2 . 16117 1
205 . 1 1 17 17 ILE HG22 H 1 1.083 0.027 . 1 . . . . 17 ILE HG2 . 16117 1
206 . 1 1 17 17 ILE HG23 H 1 1.083 0.027 . 1 . . . . 17 ILE HG2 . 16117 1
207 . 1 1 17 17 ILE C C 13 175.737 0.5 . 1 . . . . 17 ILE C . 16117 1
208 . 1 1 17 17 ILE CA C 13 59.733 0.036 . 1 . . . . 17 ILE CA . 16117 1
209 . 1 1 17 17 ILE CB C 13 42.219 0.012 . 1 . . . . 17 ILE CB . 16117 1
210 . 1 1 17 17 ILE CD1 C 13 12.589 0.5 . 1 . . . . 17 ILE CD1 . 16117 1
211 . 1 1 17 17 ILE CG1 C 13 27.167 0.5 . 1 . . . . 17 ILE CG1 . 16117 1
212 . 1 1 17 17 ILE CG2 C 13 17.917 0.5 . 1 . . . . 17 ILE CG2 . 16117 1
213 . 1 1 17 17 ILE N N 15 116.684 0.017 . 1 . . . . 17 ILE N . 16117 1
214 . 1 1 18 18 LYS H H 1 9.243 0.025 . 1 . . . . 18 LYS HN . 16117 1
215 . 1 1 18 18 LYS HA H 1 4.548 0.016 . 1 . . . . 18 LYS HA . 16117 1
216 . 1 1 18 18 LYS HB2 H 1 1.626 0.047 . 2 . . . . 18 LYS HB2 . 16117 1
217 . 1 1 18 18 LYS HB3 H 1 1.467 0.022 . 2 . . . . 18 LYS HB3 . 16117 1
218 . 1 1 18 18 LYS HD2 H 1 1.072 0.056 . 1 . . . . 18 LYS HD2 . 16117 1
219 . 1 1 18 18 LYS HD3 H 1 1.072 0.056 . 1 . . . . 18 LYS HD3 . 16117 1
220 . 1 1 18 18 LYS HG2 H 1 0.548 0.037 . 1 . . . . 18 LYS HG2 . 16117 1
221 . 1 1 18 18 LYS HG3 H 1 0.548 0.037 . 1 . . . . 18 LYS HG3 . 16117 1
222 . 1 1 18 18 LYS C C 13 174.039 0.5 . 1 . . . . 18 LYS C . 16117 1
223 . 1 1 18 18 LYS CA C 13 54.956 0.006 . 1 . . . . 18 LYS CA . 16117 1
224 . 1 1 18 18 LYS CB C 13 37.101 0.018 . 1 . . . . 18 LYS CB . 16117 1
225 . 1 1 18 18 LYS CD C 13 27.225 0.5 . 1 . . . . 18 LYS CD . 16117 1
226 . 1 1 18 18 LYS CE C 13 42.622 0.5 . 1 . . . . 18 LYS CE . 16117 1
227 . 1 1 18 18 LYS CG C 13 23.83 0.5 . 1 . . . . 18 LYS CG . 16117 1
228 . 1 1 18 18 LYS N N 15 123.578 0.024 . 1 . . . . 18 LYS N . 16117 1
229 . 1 1 19 19 GLU H H 1 8.812 0.013 . 1 . . . . 19 GLU HN . 16117 1
230 . 1 1 19 19 GLU HA H 1 5.184 0.017 . 1 . . . . 19 GLU HA . 16117 1
231 . 1 1 19 19 GLU HB2 H 1 2.012 0.024 . 1 . . . . 19 GLU HB2 . 16117 1
232 . 1 1 19 19 GLU HB3 H 1 2.012 0.024 . 1 . . . . 19 GLU HB3 . 16117 1
233 . 1 1 19 19 GLU C C 13 175.912 0.5 . 1 . . . . 19 GLU C . 16117 1
234 . 1 1 19 19 GLU CA C 13 55.34 0.027 . 1 . . . . 19 GLU CA . 16117 1
235 . 1 1 19 19 GLU CB C 13 29.224 0.039 . 1 . . . . 19 GLU CB . 16117 1
236 . 1 1 19 19 GLU CG C 13 35.597 0.5 . 1 . . . . 19 GLU CG . 16117 1
237 . 1 1 19 19 GLU N N 15 129.72 0.012 . 1 . . . . 19 GLU N . 16117 1
238 . 1 1 20 20 ALA H H 1 9.425 0.02 . 1 . . . . 20 ALA HN . 16117 1
239 . 1 1 20 20 ALA HA H 1 4.935 0.003 . 1 . . . . 20 ALA HA . 16117 1
240 . 1 1 20 20 ALA HB1 H 1 1.428 0.017 . 1 . . . . 20 ALA HB . 16117 1
241 . 1 1 20 20 ALA HB2 H 1 1.428 0.017 . 1 . . . . 20 ALA HB . 16117 1
242 . 1 1 20 20 ALA HB3 H 1 1.428 0.017 . 1 . . . . 20 ALA HB . 16117 1
243 . 1 1 20 20 ALA C C 13 177.376 0.5 . 1 . . . . 20 ALA C . 16117 1
244 . 1 1 20 20 ALA CA C 13 51.128 0.091 . 1 . . . . 20 ALA CA . 16117 1
245 . 1 1 20 20 ALA CB C 13 23.405 0.041 . 1 . . . . 20 ALA CB . 16117 1
246 . 1 1 20 20 ALA N N 15 127.622 0.056 . 1 . . . . 20 ALA N . 16117 1
247 . 1 1 21 21 VAL H H 1 8.62 0.026 . 1 . . . . 21 VAL HN . 16117 1
248 . 1 1 21 21 VAL HA H 1 4.262 0.032 . 1 . . . . 21 VAL HA . 16117 1
249 . 1 1 21 21 VAL HB H 1 2.307 0.013 . 1 . . . . 21 VAL HB . 16117 1
250 . 1 1 21 21 VAL HG11 H 1 1.11 0.001 . 2 . . . . 21 VAL HG1 . 16117 1
251 . 1 1 21 21 VAL HG12 H 1 1.11 0.001 . 2 . . . . 21 VAL HG1 . 16117 1
252 . 1 1 21 21 VAL HG13 H 1 1.11 0.001 . 2 . . . . 21 VAL HG1 . 16117 1
253 . 1 1 21 21 VAL C C 13 175.539 0.5 . 1 . . . . 21 VAL C . 16117 1
254 . 1 1 21 21 VAL CA C 13 63.598 0.054 . 1 . . . . 21 VAL CA . 16117 1
255 . 1 1 21 21 VAL CB C 13 31.839 0.029 . 1 . . . . 21 VAL CB . 16117 1
256 . 1 1 21 21 VAL CG1 C 13 20.376 0.5 . 1 . . . . 21 VAL CG1 . 16117 1
257 . 1 1 21 21 VAL N N 15 115.529 0.006 . 1 . . . . 21 VAL N . 16117 1
258 . 1 1 22 22 ASP H H 1 7.405 0.021 . 1 . . . . 22 ASP HN . 16117 1
259 . 1 1 22 22 ASP HA H 1 4.946 0.003 . 1 . . . . 22 ASP HA . 16117 1
260 . 1 1 22 22 ASP HB2 H 1 3.079 0.02 . 1 . . . . 22 ASP HB2 . 16117 1
261 . 1 1 22 22 ASP HB3 H 1 3.079 0.02 . 1 . . . . 22 ASP HB3 . 16117 1
262 . 1 1 22 22 ASP C C 13 174.734 0.5 . 1 . . . . 22 ASP C . 16117 1
263 . 1 1 22 22 ASP CA C 13 52.601 0.072 . 1 . . . . 22 ASP CA . 16117 1
264 . 1 1 22 22 ASP CB C 13 42.748 0.063 . 1 . . . . 22 ASP CB . 16117 1
265 . 1 1 22 22 ASP N N 15 115.513 0.022 . 1 . . . . 22 ASP N . 16117 1
266 . 1 1 23 23 ALA H H 1 8.614 0.019 . 1 . . . . 23 ALA HN . 16117 1
267 . 1 1 23 23 ALA HA H 1 3.294 0.035 . 1 . . . . 23 ALA HA . 16117 1
268 . 1 1 23 23 ALA HB1 H 1 1.309 0.014 . 1 . . . . 23 ALA HB . 16117 1
269 . 1 1 23 23 ALA HB2 H 1 1.309 0.014 . 1 . . . . 23 ALA HB . 16117 1
270 . 1 1 23 23 ALA HB3 H 1 1.309 0.014 . 1 . . . . 23 ALA HB . 16117 1
271 . 1 1 23 23 ALA C C 13 179.849 0.5 . 1 . . . . 23 ALA C . 16117 1
272 . 1 1 23 23 ALA CA C 13 54.858 0.039 . 1 . . . . 23 ALA CA . 16117 1
273 . 1 1 23 23 ALA CB C 13 17.424 0.039 . 1 . . . . 23 ALA CB . 16117 1
274 . 1 1 23 23 ALA N N 15 121.829 0.035 . 1 . . . . 23 ALA N . 16117 1
275 . 1 1 24 24 GLY H H 1 8.555 0.017 . 1 . . . . 24 GLY HN . 16117 1
276 . 1 1 24 24 GLY HA2 H 1 3.851 0.014 . 1 . . . . 24 GLY HA2 . 16117 1
277 . 1 1 24 24 GLY HA3 H 1 3.851 0.014 . 1 . . . . 24 GLY HA3 . 16117 1
278 . 1 1 24 24 GLY C C 13 177.142 0.5 . 1 . . . . 24 GLY C . 16117 1
279 . 1 1 24 24 GLY CA C 13 46.839 0.012 . 1 . . . . 24 GLY CA . 16117 1
280 . 1 1 24 24 GLY N N 15 106.435 0.004 . 1 . . . . 24 GLY N . 16117 1
281 . 1 1 25 25 THR H H 1 8.241 0.028 . 1 . . . . 25 THR HN . 16117 1
282 . 1 1 25 25 THR HA H 1 4.063 0.024 . 1 . . . . 25 THR HA . 16117 1
283 . 1 1 25 25 THR HB H 1 3.852 0.012 . 1 . . . . 25 THR HB . 16117 1
284 . 1 1 25 25 THR HG21 H 1 1.301 0.013 . 1 . . . . 25 THR HG2 . 16117 1
285 . 1 1 25 25 THR HG22 H 1 1.301 0.013 . 1 . . . . 25 THR HG2 . 16117 1
286 . 1 1 25 25 THR HG23 H 1 1.301 0.013 . 1 . . . . 25 THR HG2 . 16117 1
287 . 1 1 25 25 THR C C 13 177.054 0.5 . 1 . . . . 25 THR C . 16117 1
288 . 1 1 25 25 THR CA C 13 66.635 0.5 . 1 . . . . 25 THR CA . 16117 1
289 . 1 1 25 25 THR CB C 13 68.068 0.082 . 1 . . . . 25 THR CB . 16117 1
290 . 1 1 25 25 THR CG2 C 13 21.488 0.5 . 1 . . . . 25 THR CG2 . 16117 1
291 . 1 1 25 25 THR N N 15 119.981 0.001 . 1 . . . . 25 THR N . 16117 1
292 . 1 1 26 26 ALA H H 1 7.1 0.023 . 1 . . . . 26 ALA HN . 16117 1
293 . 1 1 26 26 ALA HA H 1 3.364 0.022 . 1 . . . . 26 ALA HA . 16117 1
294 . 1 1 26 26 ALA HB1 H 1 0.887 0.016 . 1 . . . . 26 ALA HB . 16117 1
295 . 1 1 26 26 ALA HB2 H 1 0.887 0.016 . 1 . . . . 26 ALA HB . 16117 1
296 . 1 1 26 26 ALA HB3 H 1 0.887 0.016 . 1 . . . . 26 ALA HB . 16117 1
297 . 1 1 26 26 ALA C C 13 177.098 0.5 . 1 . . . . 26 ALA C . 16117 1
298 . 1 1 26 26 ALA CA C 13 55.502 0.026 . 1 . . . . 26 ALA CA . 16117 1
299 . 1 1 26 26 ALA CB C 13 17.127 0.028 . 1 . . . . 26 ALA CB . 16117 1
300 . 1 1 26 26 ALA N N 15 124.535 0.005 . 1 . . . . 26 ALA N . 16117 1
301 . 1 1 27 27 GLU H H 1 8.739 0.037 . 1 . . . . 27 GLU HN . 16117 1
302 . 1 1 27 27 GLU HA H 1 2.941 0.011 . 1 . . . . 27 GLU HA . 16117 1
303 . 1 1 27 27 GLU HB2 H 1 2.122 0.035 . 2 . . . . 27 GLU HB2 . 16117 1
304 . 1 1 27 27 GLU HB3 H 1 2.002 0.023 . 2 . . . . 27 GLU HB3 . 16117 1
305 . 1 1 27 27 GLU HG2 H 1 1.737 0.017 . 1 . . . . 27 GLU HG2 . 16117 1
306 . 1 1 27 27 GLU HG3 H 1 1.737 0.017 . 1 . . . . 27 GLU HG3 . 16117 1
307 . 1 1 27 27 GLU C C 13 177.368 0.5 . 1 . . . . 27 GLU C . 16117 1
308 . 1 1 27 27 GLU CA C 13 60.19 0.038 . 1 . . . . 27 GLU CA . 16117 1
309 . 1 1 27 27 GLU CB C 13 29.225 0.011 . 1 . . . . 27 GLU CB . 16117 1
310 . 1 1 27 27 GLU CG C 13 35.538 0.5 . 1 . . . . 27 GLU CG . 16117 1
311 . 1 1 27 27 GLU N N 15 118.116 0.005 . 1 . . . . 27 GLU N . 16117 1
312 . 1 1 28 28 LYS H H 1 7.333 0.037 . 1 . . . . 28 LYS HN . 16117 1
313 . 1 1 28 28 LYS HA H 1 3.764 0.057 . 1 . . . . 28 LYS HA . 16117 1
314 . 1 1 28 28 LYS HB2 H 1 1.808 0.074 . 1 . . . . 28 LYS HB2 . 16117 1
315 . 1 1 28 28 LYS HB3 H 1 1.808 0.074 . 1 . . . . 28 LYS HB3 . 16117 1
316 . 1 1 28 28 LYS HE2 H 1 2.954 0.027 . 1 . . . . 28 LYS HE2 . 16117 1
317 . 1 1 28 28 LYS HE3 H 1 2.954 0.027 . 1 . . . . 28 LYS HE3 . 16117 1
318 . 1 1 28 28 LYS HG2 H 1 1.423 0.014 . 1 . . . . 28 LYS HG2 . 16117 1
319 . 1 1 28 28 LYS HG3 H 1 1.423 0.014 . 1 . . . . 28 LYS HG3 . 16117 1
320 . 1 1 28 28 LYS C C 13 178.993 0.5 . 1 . . . . 28 LYS C . 16117 1
321 . 1 1 28 28 LYS CA C 13 59.881 0.029 . 1 . . . . 28 LYS CA . 16117 1
322 . 1 1 28 28 LYS CB C 13 32.382 0.012 . 1 . . . . 28 LYS CB . 16117 1
323 . 1 1 28 28 LYS CG C 13 25.41 0.5 . 1 . . . . 28 LYS CG . 16117 1
324 . 1 1 28 28 LYS N N 15 116.088 0.014 . 1 . . . . 28 LYS N . 16117 1
325 . 1 1 29 29 TYR H H 1 7.016 0.008 . 1 . . . . 29 TYR HN . 16117 1
326 . 1 1 29 29 TYR HA H 1 4.273 0.006 . 1 . . . . 29 TYR HA . 16117 1
327 . 1 1 29 29 TYR HB2 H 1 3.068 0.017 . 2 . . . . 29 TYR HB2 . 16117 1
328 . 1 1 29 29 TYR HB3 H 1 2.782 0.031 . 2 . . . . 29 TYR HB3 . 16117 1
329 . 1 1 29 29 TYR HD1 H 1 6.818 0.003 . 1 . . . . 29 TYR HD1 . 16117 1
330 . 1 1 29 29 TYR HD2 H 1 6.818 0.003 . 1 . . . . 29 TYR HD2 . 16117 1
331 . 1 1 29 29 TYR HE1 H 1 6.675 0.002 . 1 . . . . 29 TYR HE1 . 16117 1
332 . 1 1 29 29 TYR HE2 H 1 6.675 0.002 . 1 . . . . 29 TYR HE2 . 16117 1
333 . 1 1 29 29 TYR C C 13 177.581 0.5 . 1 . . . . 29 TYR C . 16117 1
334 . 1 1 29 29 TYR CA C 13 61.05 0.064 . 1 . . . . 29 TYR CA . 16117 1
335 . 1 1 29 29 TYR CB C 13 37.86 0.009 . 1 . . . . 29 TYR CB . 16117 1
336 . 1 1 29 29 TYR CD1 C 13 130.089 0.5 . 1 . . . . 29 TYR CD# . 16117 1
337 . 1 1 29 29 TYR CD2 C 13 130.089 0.5 . 1 . . . . 29 TYR CD# . 16117 1
338 . 1 1 29 29 TYR CE1 C 13 123.176 0.5 . 1 . . . . 29 TYR CE# . 16117 1
339 . 1 1 29 29 TYR CE2 C 13 123.176 0.5 . 1 . . . . 29 TYR CE# . 16117 1
340 . 1 1 29 29 TYR N N 15 119.155 0.013 . 1 . . . . 29 TYR N . 16117 1
341 . 1 1 30 30 PHE H H 1 8.775 0.03 . 1 . . . . 30 PHE HN . 16117 1
342 . 1 1 30 30 PHE HA H 1 4.619 0.026 . 1 . . . . 30 PHE HA . 16117 1
343 . 1 1 30 30 PHE HB2 H 1 3.429 0.018 . 2 . . . . 30 PHE HB2 . 16117 1
344 . 1 1 30 30 PHE HB3 H 1 3.079 0.026 . 2 . . . . 30 PHE HB3 . 16117 1
345 . 1 1 30 30 PHE HD1 H 1 6.872 0.052 . 1 . . . . 30 PHE HD1 . 16117 1
346 . 1 1 30 30 PHE HD2 H 1 6.872 0.052 . 1 . . . . 30 PHE HD2 . 16117 1
347 . 1 1 30 30 PHE HE1 H 1 7.386 0.032 . 1 . . . . 30 PHE HE1 . 16117 1
348 . 1 1 30 30 PHE HE2 H 1 7.386 0.032 . 1 . . . . 30 PHE HE2 . 16117 1
349 . 1 1 30 30 PHE C C 13 178.612 0.5 . 1 . . . . 30 PHE C . 16117 1
350 . 1 1 30 30 PHE CA C 13 57.312 0.053 . 1 . . . . 30 PHE CA . 16117 1
351 . 1 1 30 30 PHE CB C 13 37.667 0.024 . 1 . . . . 30 PHE CB . 16117 1
352 . 1 1 30 30 PHE CD1 C 13 132.341 0.008 . 1 . . . . 30 PHE CD# . 16117 1
353 . 1 1 30 30 PHE CD2 C 13 132.341 0.008 . 1 . . . . 30 PHE CD# . 16117 1
354 . 1 1 30 30 PHE CE1 C 13 130.453 0.5 . 1 . . . . 30 PHE CE# . 16117 1
355 . 1 1 30 30 PHE CE2 C 13 130.453 0.5 . 1 . . . . 30 PHE CE# . 16117 1
356 . 1 1 30 30 PHE N N 15 118.969 0.018 . 1 . . . . 30 PHE N . 16117 1
357 . 1 1 31 31 LYS H H 1 8.977 0.028 . 1 . . . . 31 LYS HN . 16117 1
358 . 1 1 31 31 LYS HA H 1 4.141 0.03 . 1 . . . . 31 LYS HA . 16117 1
359 . 1 1 31 31 LYS HB2 H 1 1.822 0.059 . 2 . . . . 31 LYS HB2 . 16117 1
360 . 1 1 31 31 LYS HB3 H 1 1.678 0.005 . 2 . . . . 31 LYS HB3 . 16117 1
361 . 1 1 31 31 LYS HG2 H 1 1.181 0.014 . 1 . . . . 31 LYS HG2 . 16117 1
362 . 1 1 31 31 LYS HG3 H 1 1.181 0.014 . 1 . . . . 31 LYS HG3 . 16117 1
363 . 1 1 31 31 LYS C C 13 178.781 0.5 . 1 . . . . 31 LYS C . 16117 1
364 . 1 1 31 31 LYS CA C 13 59.878 0.054 . 1 . . . . 31 LYS CA . 16117 1
365 . 1 1 31 31 LYS CB C 13 31.707 0.028 . 1 . . . . 31 LYS CB . 16117 1
366 . 1 1 31 31 LYS CG C 13 26.113 0.5 . 1 . . . . 31 LYS CG . 16117 1
367 . 1 1 31 31 LYS N N 15 121.474 0.009 . 1 . . . . 31 LYS N . 16117 1
368 . 1 1 32 32 LEU H H 1 7.215 0.044 . 1 . . . . 32 LEU HN . 16117 1
369 . 1 1 32 32 LEU HA H 1 4.179 0.021 . 1 . . . . 32 LEU HA . 16117 1
370 . 1 1 32 32 LEU HB2 H 1 1.995 0.003 . 2 . . . . 32 LEU HB2 . 16117 1
371 . 1 1 32 32 LEU HB3 H 1 1.628 0.05 . 2 . . . . 32 LEU HB3 . 16117 1
372 . 1 1 32 32 LEU HD11 H 1 0.966 0.035 . 2 . . . . 32 LEU HD1 . 16117 1
373 . 1 1 32 32 LEU HD12 H 1 0.966 0.035 . 2 . . . . 32 LEU HD1 . 16117 1
374 . 1 1 32 32 LEU HD13 H 1 0.966 0.035 . 2 . . . . 32 LEU HD1 . 16117 1
375 . 1 1 32 32 LEU HG H 1 1.85 0.012 . 1 . . . . 32 LEU HG . 16117 1
376 . 1 1 32 32 LEU C C 13 180.639 0.5 . 1 . . . . 32 LEU C . 16117 1
377 . 1 1 32 32 LEU CA C 13 57.933 0.02 . 1 . . . . 32 LEU CA . 16117 1
378 . 1 1 32 32 LEU CB C 13 41.283 0.017 . 1 . . . . 32 LEU CB . 16117 1
379 . 1 1 32 32 LEU CD1 C 13 23.186 0.5 . 1 . . . . 32 LEU CD1 . 16117 1
380 . 1 1 32 32 LEU CG C 13 25.527 0.5 . 1 . . . . 32 LEU CG . 16117 1
381 . 1 1 32 32 LEU N N 15 118.836 0.067 . 1 . . . . 32 LEU N . 16117 1
382 . 1 1 33 33 ILE H H 1 7.397 0.022 . 1 . . . . 33 ILE HN . 16117 1
383 . 1 1 33 33 ILE HA H 1 3.896 0.027 . 1 . . . . 33 ILE HA . 16117 1
384 . 1 1 33 33 ILE HB H 1 2.052 0.043 . 1 . . . . 33 ILE HB . 16117 1
385 . 1 1 33 33 ILE HD11 H 1 0.845 0.01 . 1 . . . . 33 ILE HD1 . 16117 1
386 . 1 1 33 33 ILE HD12 H 1 0.845 0.01 . 1 . . . . 33 ILE HD1 . 16117 1
387 . 1 1 33 33 ILE HD13 H 1 0.845 0.01 . 1 . . . . 33 ILE HD1 . 16117 1
388 . 1 1 33 33 ILE C C 13 178.546 0.5 . 1 . . . . 33 ILE C . 16117 1
389 . 1 1 33 33 ILE CA C 13 63.892 0.045 . 1 . . . . 33 ILE CA . 16117 1
390 . 1 1 33 33 ILE CB C 13 37.582 0.03 . 1 . . . . 33 ILE CB . 16117 1
391 . 1 1 33 33 ILE CD1 C 13 17.097 0.5 . 1 . . . . 33 ILE CD1 . 16117 1
392 . 1 1 33 33 ILE CG1 C 13 27.752 0.5 . 1 . . . . 33 ILE CG1 . 16117 1
393 . 1 1 33 33 ILE N N 15 118.838 0.02 . 1 . . . . 33 ILE N . 16117 1
394 . 1 1 34 34 ALA H H 1 8.593 0.026 . 1 . . . . 34 ALA HN . 16117 1
395 . 1 1 34 34 ALA HA H 1 3.984 0.007 . 1 . . . . 34 ALA HA . 16117 1
396 . 1 1 34 34 ALA HB1 H 1 1.704 0.009 . 1 . . . . 34 ALA HB . 16117 1
397 . 1 1 34 34 ALA HB2 H 1 1.704 0.009 . 1 . . . . 34 ALA HB . 16117 1
398 . 1 1 34 34 ALA HB3 H 1 1.704 0.009 . 1 . . . . 34 ALA HB . 16117 1
399 . 1 1 34 34 ALA C C 13 179.571 0.5 . 1 . . . . 34 ALA C . 16117 1
400 . 1 1 34 34 ALA CA C 13 55.141 0.032 . 1 . . . . 34 ALA CA . 16117 1
401 . 1 1 34 34 ALA CB C 13 18.671 0.032 . 1 . . . . 34 ALA CB . 16117 1
402 . 1 1 34 34 ALA N N 15 121.471 0.017 . 1 . . . . 34 ALA N . 16117 1
403 . 1 1 35 35 ASN H H 1 8.503 0.019 . 1 . . . . 35 ASN HN . 16117 1
404 . 1 1 35 35 ASN HA H 1 4.707 0.084 . 1 . . . . 35 ASN HA . 16117 1
405 . 1 1 35 35 ASN HB2 H 1 3.025 0.021 . 1 . . . . 35 ASN HB2 . 16117 1
406 . 1 1 35 35 ASN HB3 H 1 3.025 0.021 . 1 . . . . 35 ASN HB3 . 16117 1
407 . 1 1 35 35 ASN HD21 H 1 7.664 0.002 . 2 . . . . 35 ASN HD21 . 16117 1
408 . 1 1 35 35 ASN HD22 H 1 6.894 0.05 . 2 . . . . 35 ASN HD22 . 16117 1
409 . 1 1 35 35 ASN C C 13 177.434 0.5 . 1 . . . . 35 ASN C . 16117 1
410 . 1 1 35 35 ASN CA C 13 55.732 0.089 . 1 . . . . 35 ASN CA . 16117 1
411 . 1 1 35 35 ASN CB C 13 38.224 0.077 . 1 . . . . 35 ASN CB . 16117 1
412 . 1 1 35 35 ASN N N 15 116.283 0.016 . 1 . . . . 35 ASN N . 16117 1
413 . 1 1 35 35 ASN ND2 N 15 110.876 0.014 . 1 . . . . 35 ASN ND2 . 16117 1
414 . 1 1 36 36 ALA H H 1 7.61 0.033 . 1 . . . . 36 ALA HN . 16117 1
415 . 1 1 36 36 ALA HA H 1 4.363 0.01 . 1 . . . . 36 ALA HA . 16117 1
416 . 1 1 36 36 ALA HB1 H 1 1.604 0.028 . 1 . . . . 36 ALA HB . 16117 1
417 . 1 1 36 36 ALA HB2 H 1 1.604 0.028 . 1 . . . . 36 ALA HB . 16117 1
418 . 1 1 36 36 ALA HB3 H 1 1.604 0.028 . 1 . . . . 36 ALA HB . 16117 1
419 . 1 1 36 36 ALA C C 13 178.715 0.5 . 1 . . . . 36 ALA C . 16117 1
420 . 1 1 36 36 ALA CA C 13 54.004 0.5 . 1 . . . . 36 ALA CA . 16117 1
421 . 1 1 36 36 ALA CB C 13 19.224 0.5 . 1 . . . . 36 ALA CB . 16117 1
422 . 1 1 36 36 ALA N N 15 120.62 0 . 1 . . . . 36 ALA N . 16117 1
423 . 1 1 37 37 LYS H H 1 7.673 0.024 . 1 . . . . 37 LYS HN . 16117 1
424 . 1 1 37 37 LYS HA H 1 4.436 0.016 . 1 . . . . 37 LYS HA . 16117 1
425 . 1 1 37 37 LYS HB2 H 1 1.971 0.025 . 1 . . . . 37 LYS HB2 . 16117 1
426 . 1 1 37 37 LYS HB3 H 1 1.971 0.025 . 1 . . . . 37 LYS HB3 . 16117 1
427 . 1 1 37 37 LYS HE2 H 1 2.997 0.05 . 1 . . . . 37 LYS HE2 . 16117 1
428 . 1 1 37 37 LYS HE3 H 1 2.997 0.05 . 1 . . . . 37 LYS HE3 . 16117 1
429 . 1 1 37 37 LYS HG2 H 1 1.528 0.031 . 1 . . . . 37 LYS HG2 . 16117 1
430 . 1 1 37 37 LYS HG3 H 1 1.528 0.031 . 1 . . . . 37 LYS HG3 . 16117 1
431 . 1 1 37 37 LYS C C 13 175.876 0.5 . 1 . . . . 37 LYS C . 16117 1
432 . 1 1 37 37 LYS CA C 13 56.284 0.03 . 1 . . . . 37 LYS CA . 16117 1
433 . 1 1 37 37 LYS CB C 13 34.026 0.022 . 1 . . . . 37 LYS CB . 16117 1
434 . 1 1 37 37 LYS CD C 13 29.684 0.5 . 1 . . . . 37 LYS CD . 16117 1
435 . 1 1 37 37 LYS CE C 13 40.046 0.5 . 1 . . . . 37 LYS CE . 16117 1
436 . 1 1 37 37 LYS CG C 13 24.883 0.5 . 1 . . . . 37 LYS CG . 16117 1
437 . 1 1 37 37 LYS N N 15 116.344 0.014 . 1 . . . . 37 LYS N . 16117 1
438 . 1 1 38 38 THR H H 1 8.122 0.049 . 1 . . . . 38 THR HN . 16117 1
439 . 1 1 38 38 THR HA H 1 4.409 0.015 . 1 . . . . 38 THR HA . 16117 1
440 . 1 1 38 38 THR HB H 1 4.094 0.055 . 1 . . . . 38 THR HB . 16117 1
441 . 1 1 38 38 THR HG21 H 1 1.381 0.099 . 1 . . . . 38 THR HG2 . 16117 1
442 . 1 1 38 38 THR HG22 H 1 1.381 0.099 . 1 . . . . 38 THR HG2 . 16117 1
443 . 1 1 38 38 THR HG23 H 1 1.381 0.099 . 1 . . . . 38 THR HG2 . 16117 1
444 . 1 1 38 38 THR C C 13 172.766 0.5 . 1 . . . . 38 THR C . 16117 1
445 . 1 1 38 38 THR CA C 13 61.468 0.007 . 1 . . . . 38 THR CA . 16117 1
446 . 1 1 38 38 THR CB C 13 69.124 0.014 . 1 . . . . 38 THR CB . 16117 1
447 . 1 1 38 38 THR CG2 C 13 21.195 0.5 . 1 . . . . 38 THR CG2 . 16117 1
448 . 1 1 38 38 THR N N 15 113.585 0.01 . 1 . . . . 38 THR N . 16117 1
449 . 1 1 39 39 VAL H H 1 8.254 0.016 . 1 . . . . 39 VAL HN . 16117 1
450 . 1 1 39 39 VAL HA H 1 4.399 0.031 . 1 . . . . 39 VAL HA . 16117 1
451 . 1 1 39 39 VAL HB H 1 2.159 0.03 . 1 . . . . 39 VAL HB . 16117 1
452 . 1 1 39 39 VAL HG11 H 1 0.875 0.05 . 2 . . . . 39 VAL HG1 . 16117 1
453 . 1 1 39 39 VAL HG12 H 1 0.875 0.05 . 2 . . . . 39 VAL HG1 . 16117 1
454 . 1 1 39 39 VAL HG13 H 1 0.875 0.05 . 2 . . . . 39 VAL HG1 . 16117 1
455 . 1 1 39 39 VAL C C 13 176.183 0.5 . 1 . . . . 39 VAL C . 16117 1
456 . 1 1 39 39 VAL CA C 13 62.431 0.087 . 1 . . . . 39 VAL CA . 16117 1
457 . 1 1 39 39 VAL CB C 13 32.795 0.04 . 1 . . . . 39 VAL CB . 16117 1
458 . 1 1 39 39 VAL CG1 C 13 20.668 0.5 . 1 . . . . 39 VAL CG1 . 16117 1
459 . 1 1 39 39 VAL N N 15 120.756 0.037 . 1 . . . . 39 VAL N . 16117 1
460 . 1 1 40 40 GLU H H 1 8.732 0.02 . 1 . . . . 40 GLU HN . 16117 1
461 . 1 1 40 40 GLU HA H 1 4.711 0.04 . 1 . . . . 40 GLU HA . 16117 1
462 . 1 1 40 40 GLU HB2 H 1 2.289 0.026 . 2 . . . . 40 GLU HB2 . 16117 1
463 . 1 1 40 40 GLU HB3 H 1 2.109 0.019 . 2 . . . . 40 GLU HB3 . 16117 1
464 . 1 1 40 40 GLU C C 13 175.571 0.5 . 1 . . . . 40 GLU C . 16117 1
465 . 1 1 40 40 GLU CA C 13 55.569 0.5 . 1 . . . . 40 GLU CA . 16117 1
466 . 1 1 40 40 GLU CB C 13 30.469 0.5 . 1 . . . . 40 GLU CB . 16117 1
467 . 1 1 40 40 GLU CG C 13 36.182 0.5 . 1 . . . . 40 GLU CG . 16117 1
468 . 1 1 40 40 GLU N N 15 124.791 0.037 . 1 . . . . 40 GLU N . 16117 1
469 . 1 1 41 41 GLY H H 1 8.145 0.032 . 1 . . . . 41 GLY HN . 16117 1
470 . 1 1 41 41 GLY HA2 H 1 4.236 0.012 . 2 . . . . 41 GLY HA2 . 16117 1
471 . 1 1 41 41 GLY HA3 H 1 3.589 0.028 . 2 . . . . 41 GLY HA3 . 16117 1
472 . 1 1 41 41 GLY C C 13 172.517 0.5 . 1 . . . . 41 GLY C . 16117 1
473 . 1 1 41 41 GLY CA C 13 45.203 0.027 . 1 . . . . 41 GLY CA . 16117 1
474 . 1 1 41 41 GLY N N 15 107.758 0.022 . 1 . . . . 41 GLY N . 16117 1
475 . 1 1 42 42 VAL H H 1 8.49 0.023 . 1 . . . . 42 VAL HN . 16117 1
476 . 1 1 42 42 VAL HA H 1 4.525 0.02 . 1 . . . . 42 VAL HA . 16117 1
477 . 1 1 42 42 VAL HB H 1 2.08 0.039 . 1 . . . . 42 VAL HB . 16117 1
478 . 1 1 42 42 VAL HG11 H 1 1.111 0.02 . 2 . . . . 42 VAL HG1 . 16117 1
479 . 1 1 42 42 VAL HG12 H 1 1.111 0.02 . 2 . . . . 42 VAL HG1 . 16117 1
480 . 1 1 42 42 VAL HG13 H 1 1.111 0.02 . 2 . . . . 42 VAL HG1 . 16117 1
481 . 1 1 42 42 VAL C C 13 176.739 0.5 . 1 . . . . 42 VAL C . 16117 1
482 . 1 1 42 42 VAL CA C 13 62.354 0.031 . 1 . . . . 42 VAL CA . 16117 1
483 . 1 1 42 42 VAL CB C 13 33.355 0.082 . 1 . . . . 42 VAL CB . 16117 1
484 . 1 1 42 42 VAL CG1 C 13 20.961 0.5 . 1 . . . . 42 VAL CG1 . 16117 1
485 . 1 1 42 42 VAL N N 15 121.959 0.03 . 1 . . . . 42 VAL N . 16117 1
486 . 1 1 43 43 TRP H H 1 9.465 0.088 . 1 . . . . 43 TRP HN . 16117 1
487 . 1 1 43 43 TRP HA H 1 5.375 0.031 . 1 . . . . 43 TRP HA . 16117 1
488 . 1 1 43 43 TRP HB2 H 1 3.413 0.022 . 2 . . . . 43 TRP HB2 . 16117 1
489 . 1 1 43 43 TRP HB3 H 1 3.258 0.021 . 2 . . . . 43 TRP HB3 . 16117 1
490 . 1 1 43 43 TRP HD1 H 1 7.448 0.024 . 1 . . . . 43 TRP HD1 . 16117 1
491 . 1 1 43 43 TRP HE1 H 1 10.45 0.053 . 1 . . . . 43 TRP HE1 . 16117 1
492 . 1 1 43 43 TRP HE3 H 1 7.723 0.017 . 1 . . . . 43 TRP HE3 . 16117 1
493 . 1 1 43 43 TRP HZ2 H 1 7.307 0.022 . 1 . . . . 43 TRP HZ2 . 16117 1
494 . 1 1 43 43 TRP HZ3 H 1 6.645 0.055 . 1 . . . . 43 TRP HZ3 . 16117 1
495 . 1 1 43 43 TRP C C 13 177.127 0.5 . 1 . . . . 43 TRP C . 16117 1
496 . 1 1 43 43 TRP CA C 13 58.056 0.154 . 1 . . . . 43 TRP CA . 16117 1
497 . 1 1 43 43 TRP CB C 13 29.74 0.039 . 1 . . . . 43 TRP CB . 16117 1
498 . 1 1 43 43 TRP CD1 C 13 126.219 0.5 . 1 . . . . 43 TRP CD1 . 16117 1
499 . 1 1 43 43 TRP CE3 C 13 120.616 0.5 . 1 . . . . 43 TRP CE3 . 16117 1
500 . 1 1 43 43 TRP CZ2 C 13 115.62 0.5 . 1 . . . . 43 TRP CZ2 . 16117 1
501 . 1 1 43 43 TRP CZ3 C 13 120.933 0.5 . 1 . . . . 43 TRP CZ3 . 16117 1
502 . 1 1 43 43 TRP N N 15 130.804 0.018 . 1 . . . . 43 TRP N . 16117 1
503 . 1 1 43 43 TRP NE1 N 15 130.66 0 . 1 . . . . 43 TRP NE1 . 16117 1
504 . 1 1 44 44 THR H H 1 9.38 0.026 . 1 . . . . 44 THR HN . 16117 1
505 . 1 1 44 44 THR HA H 1 4.908 0.016 . 1 . . . . 44 THR HA . 16117 1
506 . 1 1 44 44 THR HB H 1 4.298 0.017 . 1 . . . . 44 THR HB . 16117 1
507 . 1 1 44 44 THR HG21 H 1 1.304 0.002 . 1 . . . . 44 THR HG2 . 16117 1
508 . 1 1 44 44 THR HG22 H 1 1.304 0.002 . 1 . . . . 44 THR HG2 . 16117 1
509 . 1 1 44 44 THR HG23 H 1 1.304 0.002 . 1 . . . . 44 THR HG2 . 16117 1
510 . 1 1 44 44 THR C C 13 172.803 0.5 . 1 . . . . 44 THR C . 16117 1
511 . 1 1 44 44 THR CA C 13 61.075 0.035 . 1 . . . . 44 THR CA . 16117 1
512 . 1 1 44 44 THR CB C 13 72.681 0.071 . 1 . . . . 44 THR CB . 16117 1
513 . 1 1 44 44 THR CG2 C 13 22.073 0.5 . 1 . . . . 44 THR CG2 . 16117 1
514 . 1 1 44 44 THR N N 15 115.117 0.021 . 1 . . . . 44 THR N . 16117 1
515 . 1 1 45 45 TYR H H 1 8.773 0.014 . 1 . . . . 45 TYR HN . 16117 1
516 . 1 1 45 45 TYR HA H 1 5.143 0.037 . 1 . . . . 45 TYR HA . 16117 1
517 . 1 1 45 45 TYR HB2 H 1 3.07 0.022 . 2 . . . . 45 TYR HB2 . 16117 1
518 . 1 1 45 45 TYR HB3 H 1 2.689 0.002 . 2 . . . . 45 TYR HB3 . 16117 1
519 . 1 1 45 45 TYR HE1 H 1 6.49 0.063 . 1 . . . . 45 TYR HE1 . 16117 1
520 . 1 1 45 45 TYR HE2 H 1 6.49 0.063 . 1 . . . . 45 TYR HE2 . 16117 1
521 . 1 1 45 45 TYR C C 13 174.047 0.5 . 1 . . . . 45 TYR C . 16117 1
522 . 1 1 45 45 TYR CA C 13 57.154 0.043 . 1 . . . . 45 TYR CA . 16117 1
523 . 1 1 45 45 TYR CB C 13 41.212 0.003 . 1 . . . . 45 TYR CB . 16117 1
524 . 1 1 45 45 TYR CE1 C 13 118.351 0.5 . 1 . . . . 45 TYR CE# . 16117 1
525 . 1 1 45 45 TYR CE2 C 13 118.351 0.5 . 1 . . . . 45 TYR CE# . 16117 1
526 . 1 1 45 45 TYR N N 15 121.946 0.022 . 1 . . . . 45 TYR N . 16117 1
527 . 1 1 46 46 LYS H H 1 7.505 0.029 . 1 . . . . 46 LYS HN . 16117 1
528 . 1 1 46 46 LYS HA H 1 4.457 0.012 . 1 . . . . 46 LYS HA . 16117 1
529 . 1 1 46 46 LYS HB2 H 1 1.713 0.026 . 2 . . . . 46 LYS HB2 . 16117 1
530 . 1 1 46 46 LYS HB3 H 1 1.442 0.042 . 2 . . . . 46 LYS HB3 . 16117 1
531 . 1 1 46 46 LYS HE2 H 1 2.98 0.005 . 1 . . . . 46 LYS HE2 . 16117 1
532 . 1 1 46 46 LYS HE3 H 1 2.98 0.005 . 1 . . . . 46 LYS HE3 . 16117 1
533 . 1 1 46 46 LYS C C 13 175.444 0.5 . 1 . . . . 46 LYS C . 16117 1
534 . 1 1 46 46 LYS CA C 13 53.992 0.029 . 1 . . . . 46 LYS CA . 16117 1
535 . 1 1 46 46 LYS CB C 13 33.875 0.072 . 1 . . . . 46 LYS CB . 16117 1
536 . 1 1 46 46 LYS CD C 13 29.391 0.5 . 1 . . . . 46 LYS CD . 16117 1
537 . 1 1 46 46 LYS CE C 13 43.325 0.5 . 1 . . . . 46 LYS CE . 16117 1
538 . 1 1 46 46 LYS CG C 13 24.649 0.5 . 1 . . . . 46 LYS CG . 16117 1
539 . 1 1 46 46 LYS N N 15 128.658 0.059 . 1 . . . . 46 LYS N . 16117 1
540 . 1 1 47 47 ASP H H 1 8.807 0.027 . 1 . . . . 47 ASP HN . 16117 1
541 . 1 1 47 47 ASP HA H 1 4.135 0.004 . 1 . . . . 47 ASP HA . 16117 1
542 . 1 1 47 47 ASP HB2 H 1 3.024 0.036 . 2 . . . . 47 ASP HB2 . 16117 1
543 . 1 1 47 47 ASP HB3 H 1 2.601 0.007 . 2 . . . . 47 ASP HB3 . 16117 1
544 . 1 1 47 47 ASP C C 13 179.38 0.5 . 1 . . . . 47 ASP C . 16117 1
545 . 1 1 47 47 ASP CA C 13 57.464 0.007 . 1 . . . . 47 ASP CA . 16117 1
546 . 1 1 47 47 ASP CB C 13 42.288 0.033 . 1 . . . . 47 ASP CB . 16117 1
547 . 1 1 47 47 ASP N N 15 126.643 0.021 . 1 . . . . 47 ASP N . 16117 1
548 . 1 1 48 48 GLU H H 1 9.909 0.036 . 1 . . . . 48 GLU HN . 16117 1
549 . 1 1 48 48 GLU HA H 1 4.172 0.035 . 1 . . . . 48 GLU HA . 16117 1
550 . 1 1 48 48 GLU HB2 H 1 2.095 0.041 . 1 . . . . 48 GLU HB2 . 16117 1
551 . 1 1 48 48 GLU HB3 H 1 2.095 0.041 . 1 . . . . 48 GLU HB3 . 16117 1
552 . 1 1 48 48 GLU HG2 H 1 2.44 0.06 . 1 . . . . 48 GLU HG2 . 16117 1
553 . 1 1 48 48 GLU HG3 H 1 2.44 0.06 . 1 . . . . 48 GLU HG3 . 16117 1
554 . 1 1 48 48 GLU C C 13 177.317 0.5 . 1 . . . . 48 GLU C . 16117 1
555 . 1 1 48 48 GLU CA C 13 59.979 0.068 . 1 . . . . 48 GLU CA . 16117 1
556 . 1 1 48 48 GLU CB C 13 28.699 0.038 . 1 . . . . 48 GLU CB . 16117 1
557 . 1 1 48 48 GLU CG C 13 36.241 0.5 . 1 . . . . 48 GLU CG . 16117 1
558 . 1 1 48 48 GLU N N 15 118.4 0.015 . 1 . . . . 48 GLU N . 16117 1
559 . 1 1 49 49 ILE H H 1 6.51 0.018 . 1 . . . . 49 ILE HN . 16117 1
560 . 1 1 49 49 ILE HA H 1 4.697 0.051 . 1 . . . . 49 ILE HA . 16117 1
561 . 1 1 49 49 ILE HB H 1 2.328 0.028 . 1 . . . . 49 ILE HB . 16117 1
562 . 1 1 49 49 ILE HD11 H 1 0.939 0.016 . 1 . . . . 49 ILE HD1 . 16117 1
563 . 1 1 49 49 ILE HD12 H 1 0.939 0.016 . 1 . . . . 49 ILE HD1 . 16117 1
564 . 1 1 49 49 ILE HD13 H 1 0.939 0.016 . 1 . . . . 49 ILE HD1 . 16117 1
565 . 1 1 49 49 ILE HG21 H 1 0.95 0.013 . 1 . . . . 49 ILE HG2 . 16117 1
566 . 1 1 49 49 ILE HG22 H 1 0.95 0.013 . 1 . . . . 49 ILE HG2 . 16117 1
567 . 1 1 49 49 ILE HG23 H 1 0.95 0.013 . 1 . . . . 49 ILE HG2 . 16117 1
568 . 1 1 49 49 ILE C C 13 175.868 0.5 . 1 . . . . 49 ILE C . 16117 1
569 . 1 1 49 49 ILE CA C 13 60.318 0.089 . 1 . . . . 49 ILE CA . 16117 1
570 . 1 1 49 49 ILE CB C 13 38.324 0.01 . 1 . . . . 49 ILE CB . 16117 1
571 . 1 1 49 49 ILE CD1 C 13 12.765 0.5 . 1 . . . . 49 ILE CD1 . 16117 1
572 . 1 1 49 49 ILE CG1 C 13 27.342 0.5 . 1 . . . . 49 ILE CG1 . 16117 1
573 . 1 1 49 49 ILE CG2 C 13 17.858 0.5 . 1 . . . . 49 ILE CG2 . 16117 1
574 . 1 1 49 49 ILE N N 15 105.782 0.023 . 1 . . . . 49 ILE N . 16117 1
575 . 1 1 50 50 LYS H H 1 7.991 0.025 . 1 . . . . 50 LYS HN . 16117 1
576 . 1 1 50 50 LYS HA H 1 4.336 0.035 . 1 . . . . 50 LYS HA . 16117 1
577 . 1 1 50 50 LYS HB2 H 1 2.052 0.023 . 1 . . . . 50 LYS HB2 . 16117 1
578 . 1 1 50 50 LYS HB3 H 1 2.052 0.023 . 1 . . . . 50 LYS HB3 . 16117 1
579 . 1 1 50 50 LYS HE2 H 1 1.355 0.017 . 1 . . . . 50 LYS HE2 . 16117 1
580 . 1 1 50 50 LYS HE3 H 1 1.355 0.017 . 1 . . . . 50 LYS HE3 . 16117 1
581 . 1 1 50 50 LYS C C 13 174.829 0.5 . 1 . . . . 50 LYS C . 16117 1
582 . 1 1 50 50 LYS CA C 13 55.959 0.07 . 1 . . . . 50 LYS CA . 16117 1
583 . 1 1 50 50 LYS CB C 13 29.232 0.004 . 1 . . . . 50 LYS CB . 16117 1
584 . 1 1 50 50 LYS CG C 13 24.181 0.5 . 1 . . . . 50 LYS CG . 16117 1
585 . 1 1 50 50 LYS N N 15 124.329 0.029 . 1 . . . . 50 LYS N . 16117 1
586 . 1 1 51 51 THR H H 1 7.174 0.022 . 1 . . . . 51 THR HN . 16117 1
587 . 1 1 51 51 THR HA H 1 5.774 0.083 . 1 . . . . 51 THR HA . 16117 1
588 . 1 1 51 51 THR HB H 1 3.568 0.04 . 1 . . . . 51 THR HB . 16117 1
589 . 1 1 51 51 THR HG21 H 1 1.114 0.024 . 1 . . . . 51 THR HG2 . 16117 1
590 . 1 1 51 51 THR HG22 H 1 1.114 0.024 . 1 . . . . 51 THR HG2 . 16117 1
591 . 1 1 51 51 THR HG23 H 1 1.114 0.024 . 1 . . . . 51 THR HG2 . 16117 1
592 . 1 1 51 51 THR C C 13 173.893 0.5 . 1 . . . . 51 THR C . 16117 1
593 . 1 1 51 51 THR CA C 13 62.217 0.051 . 1 . . . . 51 THR CA . 16117 1
594 . 1 1 51 51 THR CB C 13 73.248 0.085 . 1 . . . . 51 THR CB . 16117 1
595 . 1 1 51 51 THR CG2 C 13 20.844 0.5 . 1 . . . . 51 THR CG2 . 16117 1
596 . 1 1 51 51 THR N N 15 109.849 0.015 . 1 . . . . 51 THR N . 16117 1
597 . 1 1 52 52 PHE H H 1 10.338 0.02 . 1 . . . . 52 PHE HN . 16117 1
598 . 1 1 52 52 PHE HA H 1 5.693 0.023 . 1 . . . . 52 PHE HA . 16117 1
599 . 1 1 52 52 PHE HB2 H 1 3.281 0.029 . 2 . . . . 52 PHE HB2 . 16117 1
600 . 1 1 52 52 PHE HB3 H 1 3.189 0.025 . 2 . . . . 52 PHE HB3 . 16117 1
601 . 1 1 52 52 PHE HD1 H 1 7.904 0.023 . 1 . . . . 52 PHE HD1 . 16117 1
602 . 1 1 52 52 PHE HD2 H 1 7.904 0.023 . 1 . . . . 52 PHE HD2 . 16117 1
603 . 1 1 52 52 PHE HE1 H 1 7.166 0.073 . 1 . . . . 52 PHE HE1 . 16117 1
604 . 1 1 52 52 PHE HE2 H 1 7.166 0.073 . 1 . . . . 52 PHE HE2 . 16117 1
605 . 1 1 52 52 PHE C C 13 174.361 0.5 . 1 . . . . 52 PHE C . 16117 1
606 . 1 1 52 52 PHE CA C 13 57.26 0.017 . 1 . . . . 52 PHE CA . 16117 1
607 . 1 1 52 52 PHE CB C 13 42.13 0.05 . 1 . . . . 52 PHE CB . 16117 1
608 . 1 1 52 52 PHE CD1 C 13 132.005 0.131 . 1 . . . . 52 PHE CD# . 16117 1
609 . 1 1 52 52 PHE CD2 C 13 132.005 0.131 . 1 . . . . 52 PHE CD# . 16117 1
610 . 1 1 52 52 PHE CE1 C 13 130.358 0.5 . 1 . . . . 52 PHE CE# . 16117 1
611 . 1 1 52 52 PHE CE2 C 13 130.358 0.5 . 1 . . . . 52 PHE CE# . 16117 1
612 . 1 1 52 52 PHE N N 15 130.662 0.026 . 1 . . . . 52 PHE N . 16117 1
613 . 1 1 53 53 THR H H 1 9.262 0.022 . 1 . . . . 53 THR HN . 16117 1
614 . 1 1 53 53 THR HA H 1 5.288 0.022 . 1 . . . . 53 THR HA . 16117 1
615 . 1 1 53 53 THR HB H 1 3.933 0.019 . 1 . . . . 53 THR HB . 16117 1
616 . 1 1 53 53 THR HG21 H 1 1.131 0.017 . 1 . . . . 53 THR HG2 . 16117 1
617 . 1 1 53 53 THR HG22 H 1 1.131 0.017 . 1 . . . . 53 THR HG2 . 16117 1
618 . 1 1 53 53 THR HG23 H 1 1.131 0.017 . 1 . . . . 53 THR HG2 . 16117 1
619 . 1 1 53 53 THR C C 13 172.678 0.5 . 1 . . . . 53 THR C . 16117 1
620 . 1 1 53 53 THR CA C 13 61.511 0.049 . 1 . . . . 53 THR CA . 16117 1
621 . 1 1 53 53 THR CB C 13 70.861 0.04 . 1 . . . . 53 THR CB . 16117 1
622 . 1 1 53 53 THR CG2 C 13 20.61 0.5 . 1 . . . . 53 THR CG2 . 16117 1
623 . 1 1 53 53 THR N N 15 118.205 0.074 . 1 . . . . 53 THR N . 16117 1
624 . 1 1 54 54 VAL H H 1 8.628 0.026 . 1 . . . . 54 VAL HN . 16117 1
625 . 1 1 54 54 VAL HA H 1 4.599 0.014 . 1 . . . . 54 VAL HA . 16117 1
626 . 1 1 54 54 VAL HB H 1 0.851 0.022 . 1 . . . . 54 VAL HB . 16117 1
627 . 1 1 54 54 VAL HG11 H 1 0.341 0.029 . 2 . . . . 54 VAL HG1 . 16117 1
628 . 1 1 54 54 VAL HG12 H 1 0.341 0.029 . 2 . . . . 54 VAL HG1 . 16117 1
629 . 1 1 54 54 VAL HG13 H 1 0.341 0.029 . 2 . . . . 54 VAL HG1 . 16117 1
630 . 1 1 54 54 VAL HG21 H 1 -0.588 0.042 . 2 . . . . 54 VAL HG2 . 16117 1
631 . 1 1 54 54 VAL HG22 H 1 -0.588 0.042 . 2 . . . . 54 VAL HG2 . 16117 1
632 . 1 1 54 54 VAL HG23 H 1 -0.588 0.042 . 2 . . . . 54 VAL HG2 . 16117 1
633 . 1 1 54 54 VAL C C 13 174.09 0.5 . 1 . . . . 54 VAL C . 16117 1
634 . 1 1 54 54 VAL CA C 13 59.646 0.042 . 1 . . . . 54 VAL CA . 16117 1
635 . 1 1 54 54 VAL CB C 13 32.737 0.062 . 1 . . . . 54 VAL CB . 16117 1
636 . 1 1 54 54 VAL CG1 C 13 19.673 0.5 . 1 . . . . 54 VAL CG1 . 16117 1
637 . 1 1 54 54 VAL N N 15 125.183 0.066 . 1 . . . . 54 VAL N . 16117 1
638 . 1 1 55 55 THR H H 1 8.434 0.016 . 1 . . . . 55 THR HN . 16117 1
639 . 1 1 55 55 THR HA H 1 4.951 0.03 . 1 . . . . 55 THR HA . 16117 1
640 . 1 1 55 55 THR HB H 1 4.078 0.03 . 1 . . . . 55 THR HB . 16117 1
641 . 1 1 55 55 THR HG21 H 1 1.327 0.025 . 1 . . . . 55 THR HG2 . 16117 1
642 . 1 1 55 55 THR HG22 H 1 1.327 0.025 . 1 . . . . 55 THR HG2 . 16117 1
643 . 1 1 55 55 THR HG23 H 1 1.327 0.025 . 1 . . . . 55 THR HG2 . 16117 1
644 . 1 1 55 55 THR C C 13 173.695 0.5 . 1 . . . . 55 THR C . 16117 1
645 . 1 1 55 55 THR CA C 13 61.219 0.058 . 1 . . . . 55 THR CA . 16117 1
646 . 1 1 55 55 THR CB C 13 71.454 0.055 . 1 . . . . 55 THR CB . 16117 1
647 . 1 1 55 55 THR CG2 C 13 21.078 0.5 . 1 . . . . 55 THR CG2 . 16117 1
648 . 1 1 55 55 THR N N 15 122.255 0.046 . 1 . . . . 55 THR N . 16117 1
649 . 1 1 56 56 GLU H H 1 7.972 0.023 . 1 . . . . 56 GLU HN . 16117 1
650 . 1 1 56 56 GLU HA H 1 4.327 0.014 . 1 . . . . 56 GLU HA . 16117 1
651 . 1 1 56 56 GLU HB2 H 1 2.128 0.028 . 2 . . . . 56 GLU HB2 . 16117 1
652 . 1 1 56 56 GLU HB3 H 1 2.009 0.012 . 2 . . . . 56 GLU HB3 . 16117 1
653 . 1 1 56 56 GLU CA C 13 58.556 0.5 . 1 . . . . 56 GLU CA . 16117 1
654 . 1 1 56 56 GLU CB C 13 31.831 0.5 . 1 . . . . 56 GLU CB . 16117 1
655 . 1 1 56 56 GLU N N 15 131.002 0.006 . 1 . . . . 56 GLU N . 16117 1
stop_
save_