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 16981
_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 '3D 15N-resolved [1H,1H]-NOESY' . . . 16981 1
2 '3D 13C-resolved [1H,1H]-NOESY (aliphatic carbons)' . . . 16981 1
3 '3D 13C-resolved [1H,1H]-NOESY (aromatic carbons)' . . . 16981 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
6 $TOPSPIN . . 16981 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 GLY HA2 H 1 3.736 0.02 . 2 . . . . 1 GLY HA2 . 16981 1
2 . 1 1 1 1 GLY HA3 H 1 3.692 0.02 . 2 . . . . 1 GLY HA3 . 16981 1
3 . 1 1 1 1 GLY CA C 13 43.348 0.4 . 1 . . . . 1 GLY CA . 16981 1
4 . 1 1 2 2 HIS HA H 1 4.626 0.02 . 1 . . . . 2 HIS HA . 16981 1
5 . 1 1 2 2 HIS HB2 H 1 3.081 0.02 . 2 . . . . 2 HIS HB2 . 16981 1
6 . 1 1 2 2 HIS HB3 H 1 3.010 0.02 . 2 . . . . 2 HIS HB3 . 16981 1
7 . 1 1 2 2 HIS HD2 H 1 7.030 0.02 . 1 . . . . 2 HIS HD2 . 16981 1
8 . 1 1 2 2 HIS HE1 H 1 7.993 0.02 . 1 . . . . 2 HIS HE1 . 16981 1
9 . 1 1 2 2 HIS CA C 13 55.970 0.4 . 1 . . . . 2 HIS CA . 16981 1
10 . 1 1 2 2 HIS CB C 13 30.507 0.4 . 1 . . . . 2 HIS CB . 16981 1
11 . 1 1 2 2 HIS CD2 C 13 119.930 0.4 . 1 . . . . 2 HIS CD2 . 16981 1
12 . 1 1 2 2 HIS CE1 C 13 137.790 0.4 . 1 . . . . 2 HIS CE1 . 16981 1
13 . 1 1 3 3 SER H H 1 8.421 0.02 . 1 . . . . 3 SER H . 16981 1
14 . 1 1 3 3 SER HA H 1 4.343 0.02 . 1 . . . . 3 SER HA . 16981 1
15 . 1 1 3 3 SER HB2 H 1 3.741 0.02 . 2 . . . . 3 SER QB . 16981 1
16 . 1 1 3 3 SER HB3 H 1 3.741 0.02 . 2 . . . . 3 SER QB . 16981 1
17 . 1 1 3 3 SER CA C 13 58.219 0.4 . 1 . . . . 3 SER CA . 16981 1
18 . 1 1 3 3 SER CB C 13 63.752 0.4 . 1 . . . . 3 SER CB . 16981 1
19 . 1 1 3 3 SER N N 15 117.829 0.4 . 1 . . . . 3 SER N . 16981 1
20 . 1 1 4 4 LYS H H 1 8.487 0.02 . 1 . . . . 4 LYS H . 16981 1
21 . 1 1 4 4 LYS HA H 1 4.252 0.02 . 1 . . . . 4 LYS HA . 16981 1
22 . 1 1 4 4 LYS HB2 H 1 1.641 0.02 . 2 . . . . 4 LYS QB . 16981 1
23 . 1 1 4 4 LYS HB3 H 1 1.641 0.02 . 2 . . . . 4 LYS QB . 16981 1
24 . 1 1 4 4 LYS HD2 H 1 1.580 0.02 . 2 . . . . 4 LYS QD . 16981 1
25 . 1 1 4 4 LYS HD3 H 1 1.580 0.02 . 2 . . . . 4 LYS QD . 16981 1
26 . 1 1 4 4 LYS HE2 H 1 2.880 0.02 . 2 . . . . 4 LYS QE . 16981 1
27 . 1 1 4 4 LYS HE3 H 1 2.880 0.02 . 2 . . . . 4 LYS QE . 16981 1
28 . 1 1 4 4 LYS HG2 H 1 1.350 0.02 . 2 . . . . 4 LYS QG . 16981 1
29 . 1 1 4 4 LYS HG3 H 1 1.350 0.02 . 2 . . . . 4 LYS QG . 16981 1
30 . 1 1 4 4 LYS CA C 13 56.442 0.4 . 1 . . . . 4 LYS CA . 16981 1
31 . 1 1 4 4 LYS CB C 13 33.170 0.4 . 1 . . . . 4 LYS CB . 16981 1
32 . 1 1 4 4 LYS CD C 13 29.170 0.4 . 1 . . . . 4 LYS CD . 16981 1
33 . 1 1 4 4 LYS CE C 13 42.057 0.4 . 1 . . . . 4 LYS CE . 16981 1
34 . 1 1 4 4 LYS CG C 13 24.600 0.4 . 1 . . . . 4 LYS CG . 16981 1
35 . 1 1 4 4 LYS N N 15 123.502 0.4 . 1 . . . . 4 LYS N . 16981 1
36 . 1 1 5 5 MET H H 1 8.367 0.02 . 1 . . . . 5 MET H . 16981 1
37 . 1 1 5 5 MET HA H 1 4.343 0.02 . 1 . . . . 5 MET HA . 16981 1
38 . 1 1 5 5 MET HB2 H 1 1.989 0.02 . 2 . . . . 5 MET HB2 . 16981 1
39 . 1 1 5 5 MET HB3 H 1 1.895 0.02 . 2 . . . . 5 MET HB3 . 16981 1
40 . 1 1 5 5 MET HE1 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1
41 . 1 1 5 5 MET HE2 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1
42 . 1 1 5 5 MET HE3 H 1 1.975 0.02 . 1 . . . . 5 MET QE . 16981 1
43 . 1 1 5 5 MET HG2 H 1 2.527 0.02 . 2 . . . . 5 MET HG2 . 16981 1
44 . 1 1 5 5 MET HG3 H 1 2.440 0.02 . 2 . . . . 5 MET HG3 . 16981 1
45 . 1 1 5 5 MET CA C 13 55.817 0.4 . 1 . . . . 5 MET CA . 16981 1
46 . 1 1 5 5 MET CB C 13 32.625 0.4 . 1 . . . . 5 MET CB . 16981 1
47 . 1 1 5 5 MET CE C 13 16.938 0.4 . 1 . . . . 5 MET CE . 16981 1
48 . 1 1 5 5 MET CG C 13 31.999 0.4 . 1 . . . . 5 MET CG . 16981 1
49 . 1 1 5 5 MET N N 15 121.513 0.4 . 1 . . . . 5 MET N . 16981 1
50 . 1 1 6 6 SER H H 1 8.150 0.02 . 1 . . . . 6 SER H . 16981 1
51 . 1 1 6 6 SER HA H 1 4.298 0.02 . 1 . . . . 6 SER HA . 16981 1
52 . 1 1 6 6 SER HB2 H 1 3.720 0.02 . 2 . . . . 6 SER HB2 . 16981 1
53 . 1 1 6 6 SER HB3 H 1 3.772 0.02 . 2 . . . . 6 SER HB3 . 16981 1
54 . 1 1 6 6 SER CA C 13 58.392 0.4 . 1 . . . . 6 SER CA . 16981 1
55 . 1 1 6 6 SER CB C 13 63.654 0.4 . 1 . . . . 6 SER CB . 16981 1
56 . 1 1 6 6 SER N N 15 116.065 0.4 . 1 . . . . 6 SER N . 16981 1
57 . 1 1 7 7 ASP H H 1 8.203 0.02 . 1 . . . . 7 ASP H . 16981 1
58 . 1 1 7 7 ASP HA H 1 4.541 0.02 . 1 . . . . 7 ASP HA . 16981 1
59 . 1 1 7 7 ASP HB2 H 1 2.597 0.02 . 2 . . . . 7 ASP HB2 . 16981 1
60 . 1 1 7 7 ASP HB3 H 1 2.500 0.02 . 2 . . . . 7 ASP HB3 . 16981 1
61 . 1 1 7 7 ASP CA C 13 54.293 0.4 . 1 . . . . 7 ASP CA . 16981 1
62 . 1 1 7 7 ASP CB C 13 41.160 0.4 . 1 . . . . 7 ASP CB . 16981 1
63 . 1 1 7 7 ASP N N 15 122.411 0.4 . 1 . . . . 7 ASP N . 16981 1
64 . 1 1 8 8 VAL H H 1 7.931 0.02 . 1 . . . . 8 VAL H . 16981 1
65 . 1 1 8 8 VAL HA H 1 3.986 0.02 . 1 . . . . 8 VAL HA . 16981 1
66 . 1 1 8 8 VAL HB H 1 2.007 0.02 . 1 . . . . 8 VAL HB . 16981 1
67 . 1 1 8 8 VAL HG11 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1
68 . 1 1 8 8 VAL HG12 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1
69 . 1 1 8 8 VAL HG13 H 1 0.855 0.02 . 2 . . . . 8 VAL QG1 . 16981 1
70 . 1 1 8 8 VAL HG21 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1
71 . 1 1 8 8 VAL HG22 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1
72 . 1 1 8 8 VAL HG23 H 1 0.832 0.02 . 2 . . . . 8 VAL QG2 . 16981 1
73 . 1 1 8 8 VAL CA C 13 62.460 0.4 . 1 . . . . 8 VAL CA . 16981 1
74 . 1 1 8 8 VAL CB C 13 32.468 0.4 . 1 . . . . 8 VAL CB . 16981 1
75 . 1 1 8 8 VAL CG1 C 13 20.802 0.4 . 2 . . . . 8 VAL CG1 . 16981 1
76 . 1 1 8 8 VAL CG2 C 13 21.294 0.4 . 2 . . . . 8 VAL CG2 . 16981 1
77 . 1 1 8 8 VAL N N 15 120.229 0.4 . 1 . . . . 8 VAL N . 16981 1
78 . 1 1 9 9 LYS H H 1 8.327 0.02 . 1 . . . . 9 LYS H . 16981 1
79 . 1 1 9 9 LYS HA H 1 4.317 0.02 . 1 . . . . 9 LYS HA . 16981 1
80 . 1 1 9 9 LYS HB2 H 1 1.690 0.02 . 2 . . . . 9 LYS HB2 . 16981 1
81 . 1 1 9 9 LYS HB3 H 1 1.710 0.02 . 2 . . . . 9 LYS HB3 . 16981 1
82 . 1 1 9 9 LYS HD2 H 1 1.575 0.02 . 2 . . . . 9 LYS QD . 16981 1
83 . 1 1 9 9 LYS HD3 H 1 1.575 0.02 . 2 . . . . 9 LYS QD . 16981 1
84 . 1 1 9 9 LYS HE2 H 1 2.890 0.02 . 2 . . . . 9 LYS QE . 16981 1
85 . 1 1 9 9 LYS HE3 H 1 2.890 0.02 . 2 . . . . 9 LYS QE . 16981 1
86 . 1 1 9 9 LYS HG2 H 1 1.360 0.02 . 2 . . . . 9 LYS HG2 . 16981 1
87 . 1 1 9 9 LYS HG3 H 1 1.300 0.02 . 2 . . . . 9 LYS HG3 . 16981 1
88 . 1 1 9 9 LYS CA C 13 55.895 0.4 . 1 . . . . 9 LYS CA . 16981 1
89 . 1 1 9 9 LYS CB C 13 33.303 0.4 . 1 . . . . 9 LYS CB . 16981 1
90 . 1 1 9 9 LYS CD C 13 28.923 0.4 . 1 . . . . 9 LYS CD . 16981 1
91 . 1 1 9 9 LYS CE C 13 42.057 0.4 . 1 . . . . 9 LYS CE . 16981 1
92 . 1 1 9 9 LYS CG C 13 24.617 0.4 . 1 . . . . 9 LYS CG . 16981 1
93 . 1 1 9 9 LYS N N 15 124.951 0.4 . 1 . . . . 9 LYS N . 16981 1
94 . 1 1 10 10 CYS H H 1 8.478 0.02 . 1 . . . . 10 CYS H . 16981 1
95 . 1 1 10 10 CYS HA H 1 4.482 0.02 . 1 . . . . 10 CYS HA . 16981 1
96 . 1 1 10 10 CYS HB2 H 1 2.808 0.02 . 2 . . . . 10 CYS HB2 . 16981 1
97 . 1 1 10 10 CYS HB3 H 1 2.669 0.02 . 2 . . . . 10 CYS HB3 . 16981 1
98 . 1 1 10 10 CYS CA C 13 58.240 0.4 . 1 . . . . 10 CYS CA . 16981 1
99 . 1 1 10 10 CYS CB C 13 28.087 0.4 . 1 . . . . 10 CYS CB . 16981 1
100 . 1 1 10 10 CYS N N 15 121.257 0.4 . 1 . . . . 10 CYS N . 16981 1
101 . 1 1 11 11 THR H H 1 8.567 0.02 . 1 . . . . 11 THR H . 16981 1
102 . 1 1 11 11 THR HA H 1 4.164 0.02 . 1 . . . . 11 THR HA . 16981 1
103 . 1 1 11 11 THR HB H 1 4.188 0.02 . 1 . . . . 11 THR HB . 16981 1
104 . 1 1 11 11 THR HG21 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1
105 . 1 1 11 11 THR HG22 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1
106 . 1 1 11 11 THR HG23 H 1 1.056 0.02 . 1 . . . . 11 THR QG2 . 16981 1
107 . 1 1 11 11 THR CA C 13 62.538 0.4 . 1 . . . . 11 THR CA . 16981 1
108 . 1 1 11 11 THR CB C 13 69.068 0.4 . 1 . . . . 11 THR CB . 16981 1
109 . 1 1 11 11 THR CG2 C 13 21.759 0.4 . 1 . . . . 11 THR CG2 . 16981 1
110 . 1 1 11 11 THR N N 15 118.641 0.4 . 1 . . . . 11 THR N . 16981 1
111 . 1 1 12 12 SER H H 1 7.654 0.02 . 1 . . . . 12 SER H . 16981 1
112 . 1 1 12 12 SER HA H 1 4.511 0.02 . 1 . . . . 12 SER HA . 16981 1
113 . 1 1 12 12 SER HB2 H 1 3.847 0.02 . 2 . . . . 12 SER HB2 . 16981 1
114 . 1 1 12 12 SER HB3 H 1 3.204 0.02 . 2 . . . . 12 SER HB3 . 16981 1
115 . 1 1 12 12 SER CA C 13 56.989 0.4 . 1 . . . . 12 SER CA . 16981 1
116 . 1 1 12 12 SER CB C 13 63.140 0.4 . 1 . . . . 12 SER CB . 16981 1
117 . 1 1 12 12 SER N N 15 117.418 0.4 . 1 . . . . 12 SER N . 16981 1
118 . 1 1 13 13 VAL H H 1 8.414 0.02 . 1 . . . . 13 VAL H . 16981 1
119 . 1 1 13 13 VAL HA H 1 3.705 0.02 . 1 . . . . 13 VAL HA . 16981 1
120 . 1 1 13 13 VAL HB H 1 2.042 0.02 . 1 . . . . 13 VAL HB . 16981 1
121 . 1 1 13 13 VAL HG11 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1
122 . 1 1 13 13 VAL HG12 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1
123 . 1 1 13 13 VAL HG13 H 1 0.937 0.02 . 2 . . . . 13 VAL QG1 . 16981 1
124 . 1 1 13 13 VAL HG21 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1
125 . 1 1 13 13 VAL HG22 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1
126 . 1 1 13 13 VAL HG23 H 1 0.891 0.02 . 2 . . . . 13 VAL QG2 . 16981 1
127 . 1 1 13 13 VAL CA C 13 65.078 0.4 . 1 . . . . 13 VAL CA . 16981 1
128 . 1 1 13 13 VAL CB C 13 31.550 0.4 . 1 . . . . 13 VAL CB . 16981 1
129 . 1 1 13 13 VAL CG1 C 13 20.925 0.4 . 2 . . . . 13 VAL CG1 . 16981 1
130 . 1 1 13 13 VAL CG2 C 13 21.152 0.4 . 2 . . . . 13 VAL CG2 . 16981 1
131 . 1 1 13 13 VAL N N 15 126.974 0.4 . 1 . . . . 13 VAL N . 16981 1
132 . 1 1 14 14 VAL H H 1 8.037 0.02 . 1 . . . . 14 VAL H . 16981 1
133 . 1 1 14 14 VAL HA H 1 3.690 0.02 . 1 . . . . 14 VAL HA . 16981 1
134 . 1 1 14 14 VAL HB H 1 1.783 0.02 . 1 . . . . 14 VAL HB . 16981 1
135 . 1 1 14 14 VAL HG11 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1
136 . 1 1 14 14 VAL HG12 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1
137 . 1 1 14 14 VAL HG13 H 1 0.691 0.02 . 2 . . . . 14 VAL QG1 . 16981 1
138 . 1 1 14 14 VAL HG21 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1
139 . 1 1 14 14 VAL HG22 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1
140 . 1 1 14 14 VAL HG23 H 1 0.823 0.02 . 2 . . . . 14 VAL QG2 . 16981 1
141 . 1 1 14 14 VAL CA C 13 65.469 0.4 . 1 . . . . 14 VAL CA . 16981 1
142 . 1 1 14 14 VAL CB C 13 31.171 0.4 . 1 . . . . 14 VAL CB . 16981 1
143 . 1 1 14 14 VAL CG1 C 13 22.156 0.4 . 2 . . . . 14 VAL CG1 . 16981 1
144 . 1 1 14 14 VAL CG2 C 13 22.617 0.4 . 2 . . . . 14 VAL CG2 . 16981 1
145 . 1 1 14 14 VAL N N 15 122.441 0.4 . 1 . . . . 14 VAL N . 16981 1
146 . 1 1 15 15 LEU H H 1 7.911 0.02 . 1 . . . . 15 LEU H . 16981 1
147 . 1 1 15 15 LEU HA H 1 3.636 0.02 . 1 . . . . 15 LEU HA . 16981 1
148 . 1 1 15 15 LEU HB2 H 1 0.713 0.02 . 2 . . . . 15 LEU HB2 . 16981 1
149 . 1 1 15 15 LEU HB3 H 1 1.408 0.02 . 2 . . . . 15 LEU HB3 . 16981 1
150 . 1 1 15 15 LEU HD11 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1
151 . 1 1 15 15 LEU HD12 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1
152 . 1 1 15 15 LEU HD13 H 1 0.477 0.02 . 2 . . . . 15 LEU QD1 . 16981 1
153 . 1 1 15 15 LEU HD21 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1
154 . 1 1 15 15 LEU HD22 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1
155 . 1 1 15 15 LEU HD23 H 1 0.330 0.02 . 2 . . . . 15 LEU QD2 . 16981 1
156 . 1 1 15 15 LEU HG H 1 1.060 0.02 . 1 . . . . 15 LEU HG . 16981 1
157 . 1 1 15 15 LEU CA C 13 58.123 0.4 . 1 . . . . 15 LEU CA . 16981 1
158 . 1 1 15 15 LEU CB C 13 40.163 0.4 . 1 . . . . 15 LEU CB . 16981 1
159 . 1 1 15 15 LEU CD1 C 13 22.500 0.4 . 2 . . . . 15 LEU CD1 . 16981 1
160 . 1 1 15 15 LEU CD2 C 13 26.062 0.4 . 2 . . . . 15 LEU CD2 . 16981 1
161 . 1 1 15 15 LEU CG C 13 26.407 0.4 . 1 . . . . 15 LEU CG . 16981 1
162 . 1 1 15 15 LEU N N 15 121.745 0.4 . 1 . . . . 15 LEU N . 16981 1
163 . 1 1 16 16 LEU H H 1 7.479 0.02 . 1 . . . . 16 LEU H . 16981 1
164 . 1 1 16 16 LEU HA H 1 3.666 0.02 . 1 . . . . 16 LEU HA . 16981 1
165 . 1 1 16 16 LEU HB2 H 1 1.743 0.02 . 2 . . . . 16 LEU HB2 . 16981 1
166 . 1 1 16 16 LEU HB3 H 1 1.544 0.02 . 2 . . . . 16 LEU HB3 . 16981 1
167 . 1 1 16 16 LEU HD11 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1
168 . 1 1 16 16 LEU HD12 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1
169 . 1 1 16 16 LEU HD13 H 1 0.819 0.02 . 2 . . . . 16 LEU QD1 . 16981 1
170 . 1 1 16 16 LEU HD21 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1
171 . 1 1 16 16 LEU HD22 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1
172 . 1 1 16 16 LEU HD23 H 1 0.893 0.02 . 2 . . . . 16 LEU QD2 . 16981 1
173 . 1 1 16 16 LEU HG H 1 1.732 0.02 . 1 . . . . 16 LEU HG . 16981 1
174 . 1 1 16 16 LEU CA C 13 58.462 0.4 . 1 . . . . 16 LEU CA . 16981 1
175 . 1 1 16 16 LEU CB C 13 40.841 0.4 . 1 . . . . 16 LEU CB . 16981 1
176 . 1 1 16 16 LEU CD1 C 13 23.603 0.4 . 2 . . . . 16 LEU CD1 . 16981 1
177 . 1 1 16 16 LEU CD2 C 13 25.050 0.4 . 2 . . . . 16 LEU CD2 . 16981 1
178 . 1 1 16 16 LEU CG C 13 26.841 0.4 . 1 . . . . 16 LEU CG . 16981 1
179 . 1 1 16 16 LEU N N 15 116.244 0.4 . 1 . . . . 16 LEU N . 16981 1
180 . 1 1 17 17 SER H H 1 7.766 0.02 . 1 . . . . 17 SER H . 16981 1
181 . 1 1 17 17 SER HA H 1 4.185 0.02 . 1 . . . . 17 SER HA . 16981 1
182 . 1 1 17 17 SER HB2 H 1 3.936 0.02 . 2 . . . . 17 SER QB . 16981 1
183 . 1 1 17 17 SER HB3 H 1 3.936 0.02 . 2 . . . . 17 SER QB . 16981 1
184 . 1 1 17 17 SER CA C 13 61.900 0.4 . 1 . . . . 17 SER CA . 16981 1
185 . 1 1 17 17 SER CB C 13 62.600 0.4 . 1 . . . . 17 SER CB . 16981 1
186 . 1 1 17 17 SER N N 15 114.837 0.4 . 1 . . . . 17 SER N . 16981 1
187 . 1 1 18 18 VAL H H 1 7.995 0.02 . 1 . . . . 18 VAL H . 16981 1
188 . 1 1 18 18 VAL HA H 1 3.551 0.02 . 1 . . . . 18 VAL HA . 16981 1
189 . 1 1 18 18 VAL HB H 1 2.047 0.02 . 1 . . . . 18 VAL HB . 16981 1
190 . 1 1 18 18 VAL HG11 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1
191 . 1 1 18 18 VAL HG12 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1
192 . 1 1 18 18 VAL HG13 H 1 0.734 0.02 . 2 . . . . 18 VAL QG1 . 16981 1
193 . 1 1 18 18 VAL HG21 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1
194 . 1 1 18 18 VAL HG22 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1
195 . 1 1 18 18 VAL HG23 H 1 0.600 0.02 . 2 . . . . 18 VAL QG2 . 16981 1
196 . 1 1 18 18 VAL CA C 13 66.524 0.4 . 1 . . . . 18 VAL CA . 16981 1
197 . 1 1 18 18 VAL CB C 13 31.425 0.4 . 1 . . . . 18 VAL CB . 16981 1
198 . 1 1 18 18 VAL CG1 C 13 23.909 0.4 . 2 . . . . 18 VAL CG1 . 16981 1
199 . 1 1 18 18 VAL CG2 C 13 21.152 0.4 . 2 . . . . 18 VAL CG2 . 16981 1
200 . 1 1 18 18 VAL N N 15 122.552 0.4 . 1 . . . . 18 VAL N . 16981 1
201 . 1 1 19 19 LEU H H 1 8.220 0.02 . 1 . . . . 19 LEU H . 16981 1
202 . 1 1 19 19 LEU HA H 1 3.730 0.02 . 1 . . . . 19 LEU HA . 16981 1
203 . 1 1 19 19 LEU HB2 H 1 1.624 0.02 . 2 . . . . 19 LEU HB2 . 16981 1
204 . 1 1 19 19 LEU HB3 H 1 1.150 0.02 . 2 . . . . 19 LEU HB3 . 16981 1
205 . 1 1 19 19 LEU HD11 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1
206 . 1 1 19 19 LEU HD12 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1
207 . 1 1 19 19 LEU HD13 H 1 -0.213 0.02 . 2 . . . . 19 LEU QD1 . 16981 1
208 . 1 1 19 19 LEU HD21 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1
209 . 1 1 19 19 LEU HD22 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1
210 . 1 1 19 19 LEU HD23 H 1 0.476 0.02 . 2 . . . . 19 LEU QD2 . 16981 1
211 . 1 1 19 19 LEU HG H 1 1.496 0.02 . 1 . . . . 19 LEU HG . 16981 1
212 . 1 1 19 19 LEU CA C 13 58.473 0.4 . 1 . . . . 19 LEU CA . 16981 1
213 . 1 1 19 19 LEU CB C 13 40.438 0.4 . 1 . . . . 19 LEU CB . 16981 1
214 . 1 1 19 19 LEU CD1 C 13 24.500 0.4 . 2 . . . . 19 LEU CD1 . 16981 1
215 . 1 1 19 19 LEU CD2 C 13 22.500 0.4 . 2 . . . . 19 LEU CD2 . 16981 1
216 . 1 1 19 19 LEU CG C 13 26.101 0.4 . 1 . . . . 19 LEU CG . 16981 1
217 . 1 1 19 19 LEU N N 15 117.438 0.4 . 1 . . . . 19 LEU N . 16981 1
218 . 1 1 20 20 GLN H H 1 7.985 0.02 . 1 . . . . 20 GLN H . 16981 1
219 . 1 1 20 20 GLN HA H 1 4.198 0.02 . 1 . . . . 20 GLN HA . 16981 1
220 . 1 1 20 20 GLN HB2 H 1 2.289 0.02 . 2 . . . . 20 GLN HB2 . 16981 1
221 . 1 1 20 20 GLN HB3 H 1 2.141 0.02 . 2 . . . . 20 GLN HB3 . 16981 1
222 . 1 1 20 20 GLN HE21 H 1 6.802 0.02 . 2 . . . . 20 GLN HE21 . 16981 1
223 . 1 1 20 20 GLN HE22 H 1 7.332 0.02 . 2 . . . . 20 GLN HE22 . 16981 1
224 . 1 1 20 20 GLN HG2 H 1 2.404 0.02 . 2 . . . . 20 GLN HG2 . 16981 1
225 . 1 1 20 20 GLN HG3 H 1 2.630 0.02 . 2 . . . . 20 GLN HG3 . 16981 1
226 . 1 1 20 20 GLN CA C 13 59.127 0.4 . 1 . . . . 20 GLN CA . 16981 1
227 . 1 1 20 20 GLN CB C 13 28.451 0.4 . 1 . . . . 20 GLN CB . 16981 1
228 . 1 1 20 20 GLN CG C 13 34.299 0.4 . 1 . . . . 20 GLN CG . 16981 1
229 . 1 1 20 20 GLN N N 15 117.880 0.4 . 1 . . . . 20 GLN N . 16981 1
230 . 1 1 20 20 GLN NE2 N 15 110.903 0.4 . 1 . . . . 20 GLN NE2 . 16981 1
231 . 1 1 21 21 GLN H H 1 8.782 0.02 . 1 . . . . 21 GLN H . 16981 1
232 . 1 1 21 21 GLN HA H 1 3.903 0.02 . 1 . . . . 21 GLN HA . 16981 1
233 . 1 1 21 21 GLN HB2 H 1 2.394 0.02 . 2 . . . . 21 GLN HB2 . 16981 1
234 . 1 1 21 21 GLN HB3 H 1 2.143 0.02 . 2 . . . . 21 GLN HB3 . 16981 1
235 . 1 1 21 21 GLN HE21 H 1 6.860 0.02 . 2 . . . . 21 GLN QE2 . 16981 1
236 . 1 1 21 21 GLN HE22 H 1 6.860 0.02 . 2 . . . . 21 GLN QE2 . 16981 1
237 . 1 1 21 21 GLN HG2 H 1 2.616 0.02 . 2 . . . . 21 GLN HG2 . 16981 1
238 . 1 1 21 21 GLN HG3 H 1 2.496 0.02 . 2 . . . . 21 GLN HG3 . 16981 1
239 . 1 1 21 21 GLN CA C 13 59.295 0.4 . 1 . . . . 21 GLN CA . 16981 1
240 . 1 1 21 21 GLN CB C 13 27.166 0.4 . 1 . . . . 21 GLN CB . 16981 1
241 . 1 1 21 21 GLN CG C 13 34.521 0.4 . 1 . . . . 21 GLN CG . 16981 1
242 . 1 1 21 21 GLN N N 15 123.347 0.4 . 1 . . . . 21 GLN N . 16981 1
243 . 1 1 21 21 GLN NE2 N 15 108.008 0.4 . 1 . . . . 21 GLN NE2 . 16981 1
244 . 1 1 22 22 LEU H H 1 7.532 0.02 . 1 . . . . 22 LEU H . 16981 1
245 . 1 1 22 22 LEU HA H 1 4.230 0.02 . 1 . . . . 22 LEU HA . 16981 1
246 . 1 1 22 22 LEU HB2 H 1 1.651 0.02 . 2 . . . . 22 LEU HB2 . 16981 1
247 . 1 1 22 22 LEU HB3 H 1 1.678 0.02 . 2 . . . . 22 LEU HB3 . 16981 1
248 . 1 1 22 22 LEU HD11 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1
249 . 1 1 22 22 LEU HD12 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1
250 . 1 1 22 22 LEU HD13 H 1 0.700 0.02 . 2 . . . . 22 LEU QD1 . 16981 1
251 . 1 1 22 22 LEU HD21 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1
252 . 1 1 22 22 LEU HD22 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1
253 . 1 1 22 22 LEU HD23 H 1 0.635 0.02 . 2 . . . . 22 LEU QD2 . 16981 1
254 . 1 1 22 22 LEU HG H 1 1.655 0.02 . 1 . . . . 22 LEU HG . 16981 1
255 . 1 1 22 22 LEU CA C 13 54.176 0.4 . 1 . . . . 22 LEU CA . 16981 1
256 . 1 1 22 22 LEU CB C 13 42.141 0.4 . 1 . . . . 22 LEU CB . 16981 1
257 . 1 1 22 22 LEU CD1 C 13 28.185 0.4 . 2 . . . . 22 LEU CD1 . 16981 1
258 . 1 1 22 22 LEU CD2 C 13 21.935 0.4 . 2 . . . . 22 LEU CD2 . 16981 1
259 . 1 1 22 22 LEU CG C 13 26.585 0.4 . 1 . . . . 22 LEU CG . 16981 1
260 . 1 1 22 22 LEU N N 15 116.748 0.4 . 1 . . . . 22 LEU N . 16981 1
261 . 1 1 23 23 ARG H H 1 7.878 0.02 . 1 . . . . 23 ARG H . 16981 1
262 . 1 1 23 23 ARG HA H 1 3.795 0.02 . 1 . . . . 23 ARG HA . 16981 1
263 . 1 1 23 23 ARG HB2 H 1 2.063 0.02 . 2 . . . . 23 ARG HB2 . 16981 1
264 . 1 1 23 23 ARG HB3 H 1 1.889 0.02 . 2 . . . . 23 ARG HB3 . 16981 1
265 . 1 1 23 23 ARG HD2 H 1 3.228 0.02 . 2 . . . . 23 ARG HD2 . 16981 1
266 . 1 1 23 23 ARG HD3 H 1 3.155 0.02 . 2 . . . . 23 ARG HD3 . 16981 1
267 . 1 1 23 23 ARG HG2 H 1 1.519 0.02 . 2 . . . . 23 ARG QG . 16981 1
268 . 1 1 23 23 ARG HG3 H 1 1.519 0.02 . 2 . . . . 23 ARG QG . 16981 1
269 . 1 1 23 23 ARG CA C 13 56.872 0.4 . 1 . . . . 23 ARG CA . 16981 1
270 . 1 1 23 23 ARG CB C 13 25.939 0.4 . 1 . . . . 23 ARG CB . 16981 1
271 . 1 1 23 23 ARG CD C 13 43.356 0.4 . 1 . . . . 23 ARG CD . 16981 1
272 . 1 1 23 23 ARG CG C 13 27.392 0.4 . 1 . . . . 23 ARG CG . 16981 1
273 . 1 1 23 23 ARG N N 15 114.296 0.4 . 1 . . . . 23 ARG N . 16981 1
274 . 1 1 24 24 VAL H H 1 8.244 0.02 . 1 . . . . 24 VAL H . 16981 1
275 . 1 1 24 24 VAL HA H 1 3.874 0.02 . 1 . . . . 24 VAL HA . 16981 1
276 . 1 1 24 24 VAL HB H 1 2.013 0.02 . 1 . . . . 24 VAL HB . 16981 1
277 . 1 1 24 24 VAL HG11 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1
278 . 1 1 24 24 VAL HG12 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1
279 . 1 1 24 24 VAL HG13 H 1 0.945 0.02 . 2 . . . . 24 VAL QG1 . 16981 1
280 . 1 1 24 24 VAL HG21 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1
281 . 1 1 24 24 VAL HG22 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1
282 . 1 1 24 24 VAL HG23 H 1 0.825 0.02 . 2 . . . . 24 VAL QG2 . 16981 1
283 . 1 1 24 24 VAL CA C 13 62.616 0.4 . 1 . . . . 24 VAL CA . 16981 1
284 . 1 1 24 24 VAL CB C 13 31.470 0.4 . 1 . . . . 24 VAL CB . 16981 1
285 . 1 1 24 24 VAL CG1 C 13 21.676 0.4 . 2 . . . . 24 VAL CG1 . 16981 1
286 . 1 1 24 24 VAL CG2 C 13 21.633 0.4 . 2 . . . . 24 VAL CG2 . 16981 1
287 . 1 1 24 24 VAL N N 15 120.804 0.4 . 1 . . . . 24 VAL N . 16981 1
288 . 1 1 25 25 GLU H H 1 8.767 0.02 . 1 . . . . 25 GLU H . 16981 1
289 . 1 1 25 25 GLU HA H 1 4.163 0.02 . 1 . . . . 25 GLU HA . 16981 1
290 . 1 1 25 25 GLU HB2 H 1 1.987 0.02 . 2 . . . . 25 GLU HB2 . 16981 1
291 . 1 1 25 25 GLU HB3 H 1 1.905 0.02 . 2 . . . . 25 GLU HB3 . 16981 1
292 . 1 1 25 25 GLU HG2 H 1 2.240 0.02 . 2 . . . . 25 GLU HG2 . 16981 1
293 . 1 1 25 25 GLU HG3 H 1 2.320 0.02 . 2 . . . . 25 GLU HG3 . 16981 1
294 . 1 1 25 25 GLU CA C 13 56.638 0.4 . 1 . . . . 25 GLU CA . 16981 1
295 . 1 1 25 25 GLU CB C 13 30.261 0.4 . 1 . . . . 25 GLU CB . 16981 1
296 . 1 1 25 25 GLU CG C 13 36.310 0.4 . 1 . . . . 25 GLU CG . 16981 1
297 . 1 1 25 25 GLU N N 15 127.880 0.4 . 1 . . . . 25 GLU N . 16981 1
298 . 1 1 26 26 SER H H 1 8.696 0.02 . 1 . . . . 26 SER H . 16981 1
299 . 1 1 26 26 SER HA H 1 2.622 0.02 . 1 . . . . 26 SER HA . 16981 1
300 . 1 1 26 26 SER HB2 H 1 2.688 0.02 . 2 . . . . 26 SER QB . 16981 1
301 . 1 1 26 26 SER HB3 H 1 2.688 0.02 . 2 . . . . 26 SER QB . 16981 1
302 . 1 1 26 26 SER CA C 13 60.428 0.4 . 1 . . . . 26 SER CA . 16981 1
303 . 1 1 26 26 SER CB C 13 61.559 0.4 . 1 . . . . 26 SER CB . 16981 1
304 . 1 1 26 26 SER N N 15 122.230 0.4 . 1 . . . . 26 SER N . 16981 1
305 . 1 1 27 27 SER H H 1 7.192 0.02 . 1 . . . . 27 SER H . 16981 1
306 . 1 1 27 27 SER HA H 1 4.165 0.02 . 1 . . . . 27 SER HA . 16981 1
307 . 1 1 27 27 SER HB2 H 1 3.645 0.02 . 2 . . . . 27 SER HB2 . 16981 1
308 . 1 1 27 27 SER HB3 H 1 3.896 0.02 . 2 . . . . 27 SER HB3 . 16981 1
309 . 1 1 27 27 SER CA C 13 57.985 0.4 . 1 . . . . 27 SER CA . 16981 1
310 . 1 1 27 27 SER CB C 13 63.163 0.4 . 1 . . . . 27 SER CB . 16981 1
311 . 1 1 27 27 SER N N 15 113.564 0.4 . 1 . . . . 27 SER N . 16981 1
312 . 1 1 28 28 SER H H 1 7.770 0.02 . 1 . . . . 28 SER H . 16981 1
313 . 1 1 28 28 SER HA H 1 4.465 0.02 . 1 . . . . 28 SER HA . 16981 1
314 . 1 1 28 28 SER HB2 H 1 4.016 0.02 . 2 . . . . 28 SER HB2 . 16981 1
315 . 1 1 28 28 SER HB3 H 1 4.350 0.02 . 2 . . . . 28 SER HB3 . 16981 1
316 . 1 1 28 28 SER CA C 13 58.279 0.4 . 1 . . . . 28 SER CA . 16981 1
317 . 1 1 28 28 SER CB C 13 66.641 0.4 . 1 . . . . 28 SER CB . 16981 1
318 . 1 1 28 28 SER N N 15 117.395 0.4 . 1 . . . . 28 SER N . 16981 1
319 . 1 1 29 29 LYS H H 1 8.994 0.02 . 1 . . . . 29 LYS H . 16981 1
320 . 1 1 29 29 LYS HA H 1 4.110 0.02 . 1 . . . . 29 LYS HA . 16981 1
321 . 1 1 29 29 LYS HB2 H 1 1.797 0.02 . 2 . . . . 29 LYS QB . 16981 1
322 . 1 1 29 29 LYS HB3 H 1 1.797 0.02 . 2 . . . . 29 LYS QB . 16981 1
323 . 1 1 29 29 LYS HD2 H 1 1.640 0.02 . 2 . . . . 29 LYS QD . 16981 1
324 . 1 1 29 29 LYS HD3 H 1 1.640 0.02 . 2 . . . . 29 LYS QD . 16981 1
325 . 1 1 29 29 LYS HE2 H 1 2.930 0.02 . 2 . . . . 29 LYS QE . 16981 1
326 . 1 1 29 29 LYS HE3 H 1 2.930 0.02 . 2 . . . . 29 LYS QE . 16981 1
327 . 1 1 29 29 LYS HG2 H 1 1.423 0.02 . 2 . . . . 29 LYS HG2 . 16981 1
328 . 1 1 29 29 LYS HG3 H 1 1.541 0.02 . 2 . . . . 29 LYS HG3 . 16981 1
329 . 1 1 29 29 LYS CA C 13 59.191 0.4 . 1 . . . . 29 LYS CA . 16981 1
330 . 1 1 29 29 LYS CB C 13 31.872 0.4 . 1 . . . . 29 LYS CB . 16981 1
331 . 1 1 29 29 LYS CD C 13 29.037 0.4 . 1 . . . . 29 LYS CD . 16981 1
332 . 1 1 29 29 LYS CE C 13 42.089 0.4 . 1 . . . . 29 LYS CE . 16981 1
333 . 1 1 29 29 LYS CG C 13 25.158 0.4 . 1 . . . . 29 LYS CG . 16981 1
334 . 1 1 29 29 LYS N N 15 124.360 0.4 . 1 . . . . 29 LYS N . 16981 1
335 . 1 1 30 30 LEU H H 1 8.195 0.02 . 1 . . . . 30 LEU H . 16981 1
336 . 1 1 30 30 LEU HA H 1 4.186 0.02 . 1 . . . . 30 LEU HA . 16981 1
337 . 1 1 30 30 LEU HB2 H 1 1.608 0.02 . 2 . . . . 30 LEU QB . 16981 1
338 . 1 1 30 30 LEU HB3 H 1 1.608 0.02 . 2 . . . . 30 LEU QB . 16981 1
339 . 1 1 30 30 LEU HD11 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1
340 . 1 1 30 30 LEU HD12 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1
341 . 1 1 30 30 LEU HD13 H 1 0.884 0.02 . 2 . . . . 30 LEU QD1 . 16981 1
342 . 1 1 30 30 LEU HD21 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1
343 . 1 1 30 30 LEU HD22 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1
344 . 1 1 30 30 LEU HD23 H 1 0.814 0.02 . 2 . . . . 30 LEU QD2 . 16981 1
345 . 1 1 30 30 LEU HG H 1 1.449 0.02 . 1 . . . . 30 LEU HG . 16981 1
346 . 1 1 30 30 LEU CA C 13 57.608 0.4 . 1 . . . . 30 LEU CA . 16981 1
347 . 1 1 30 30 LEU CB C 13 41.864 0.4 . 1 . . . . 30 LEU CB . 16981 1
348 . 1 1 30 30 LEU CD1 C 13 26.235 0.4 . 2 . . . . 30 LEU CD1 . 16981 1
349 . 1 1 30 30 LEU CD2 C 13 24.308 0.4 . 2 . . . . 30 LEU CD2 . 16981 1
350 . 1 1 30 30 LEU CG C 13 27.447 0.4 . 1 . . . . 30 LEU CG . 16981 1
351 . 1 1 30 30 LEU N N 15 120.004 0.4 . 1 . . . . 30 LEU N . 16981 1
352 . 1 1 31 31 TRP H H 1 7.678 0.02 . 1 . . . . 31 TRP H . 16981 1
353 . 1 1 31 31 TRP HA H 1 3.566 0.02 . 1 . . . . 31 TRP HA . 16981 1
354 . 1 1 31 31 TRP HB2 H 1 3.309 0.02 . 2 . . . . 31 TRP HB2 . 16981 1
355 . 1 1 31 31 TRP HB3 H 1 3.108 0.02 . 2 . . . . 31 TRP HB3 . 16981 1
356 . 1 1 31 31 TRP HD1 H 1 6.816 0.02 . 1 . . . . 31 TRP HD1 . 16981 1
357 . 1 1 31 31 TRP HE1 H 1 9.867 0.02 . 1 . . . . 31 TRP HE1 . 16981 1
358 . 1 1 31 31 TRP HE3 H 1 7.087 0.02 . 1 . . . . 31 TRP HE3 . 16981 1
359 . 1 1 31 31 TRP HH2 H 1 7.026 0.02 . 1 . . . . 31 TRP HH2 . 16981 1
360 . 1 1 31 31 TRP HZ2 H 1 7.232 0.02 . 1 . . . . 31 TRP HZ2 . 16981 1
361 . 1 1 31 31 TRP HZ3 H 1 6.935 0.02 . 1 . . . . 31 TRP HZ3 . 16981 1
362 . 1 1 31 31 TRP CA C 13 62.256 0.4 . 1 . . . . 31 TRP CA . 16981 1
363 . 1 1 31 31 TRP CB C 13 29.239 0.4 . 1 . . . . 31 TRP CB . 16981 1
364 . 1 1 31 31 TRP CD1 C 13 127.213 0.4 . 1 . . . . 31 TRP CD1 . 16981 1
365 . 1 1 31 31 TRP CE3 C 13 120.663 0.4 . 1 . . . . 31 TRP CE3 . 16981 1
366 . 1 1 31 31 TRP CH2 C 13 123.932 0.4 . 1 . . . . 31 TRP CH2 . 16981 1
367 . 1 1 31 31 TRP CZ2 C 13 114.335 0.4 . 1 . . . . 31 TRP CZ2 . 16981 1
368 . 1 1 31 31 TRP CZ3 C 13 122.350 0.4 . 1 . . . . 31 TRP CZ3 . 16981 1
369 . 1 1 31 31 TRP N N 15 121.061 0.4 . 1 . . . . 31 TRP N . 16981 1
370 . 1 1 31 31 TRP NE1 N 15 128.945 0.4 . 1 . . . . 31 TRP NE1 . 16981 1
371 . 1 1 32 32 ALA H H 1 7.371 0.02 . 1 . . . . 32 ALA H . 16981 1
372 . 1 1 32 32 ALA HA H 1 3.994 0.02 . 1 . . . . 32 ALA HA . 16981 1
373 . 1 1 32 32 ALA HB1 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1
374 . 1 1 32 32 ALA HB2 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1
375 . 1 1 32 32 ALA HB3 H 1 1.574 0.02 . 1 . . . . 32 ALA QB . 16981 1
376 . 1 1 32 32 ALA CA C 13 55.270 0.4 . 1 . . . . 32 ALA CA . 16981 1
377 . 1 1 32 32 ALA CB C 13 18.010 0.4 . 1 . . . . 32 ALA CB . 16981 1
378 . 1 1 32 32 ALA N N 15 118.272 0.4 . 1 . . . . 32 ALA N . 16981 1
379 . 1 1 33 33 GLN H H 1 8.409 0.02 . 1 . . . . 33 GLN H . 16981 1
380 . 1 1 33 33 GLN HA H 1 4.001 0.02 . 1 . . . . 33 GLN HA . 16981 1
381 . 1 1 33 33 GLN HB2 H 1 2.167 0.02 . 2 . . . . 33 GLN QB . 16981 1
382 . 1 1 33 33 GLN HB3 H 1 2.167 0.02 . 2 . . . . 33 GLN QB . 16981 1
383 . 1 1 33 33 GLN HE21 H 1 7.145 0.02 . 2 . . . . 33 GLN HE21 . 16981 1
384 . 1 1 33 33 GLN HE22 H 1 6.575 0.02 . 2 . . . . 33 GLN HE22 . 16981 1
385 . 1 1 33 33 GLN HG2 H 1 2.429 0.02 . 2 . . . . 33 GLN HG2 . 16981 1
386 . 1 1 33 33 GLN HG3 H 1 2.146 0.02 . 2 . . . . 33 GLN HG3 . 16981 1
387 . 1 1 33 33 GLN CA C 13 58.904 0.4 . 1 . . . . 33 GLN CA . 16981 1
388 . 1 1 33 33 GLN CB C 13 28.423 0.4 . 1 . . . . 33 GLN CB . 16981 1
389 . 1 1 33 33 GLN CG C 13 33.449 0.4 . 1 . . . . 33 GLN CG . 16981 1
390 . 1 1 33 33 GLN N N 15 119.205 0.4 . 1 . . . . 33 GLN N . 16981 1
391 . 1 1 33 33 GLN NE2 N 15 108.904 0.4 . 1 . . . . 33 GLN NE2 . 16981 1
392 . 1 1 34 34 CYS H H 1 8.203 0.02 . 1 . . . . 34 CYS H . 16981 1
393 . 1 1 34 34 CYS HA H 1 3.901 0.02 . 1 . . . . 34 CYS HA . 16981 1
394 . 1 1 34 34 CYS HB2 H 1 2.914 0.02 . 2 . . . . 34 CYS HB2 . 16981 1
395 . 1 1 34 34 CYS HB3 H 1 2.082 0.02 . 2 . . . . 34 CYS HB3 . 16981 1
396 . 1 1 34 34 CYS CA C 13 64.766 0.4 . 1 . . . . 34 CYS CA . 16981 1
397 . 1 1 34 34 CYS CB C 13 27.214 0.4 . 1 . . . . 34 CYS CB . 16981 1
398 . 1 1 34 34 CYS N N 15 118.080 0.4 . 1 . . . . 34 CYS N . 16981 1
399 . 1 1 35 35 VAL H H 1 7.987 0.02 . 1 . . . . 35 VAL H . 16981 1
400 . 1 1 35 35 VAL HA H 1 3.218 0.02 . 1 . . . . 35 VAL HA . 16981 1
401 . 1 1 35 35 VAL HB H 1 1.741 0.02 . 1 . . . . 35 VAL HB . 16981 1
402 . 1 1 35 35 VAL HG11 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1
403 . 1 1 35 35 VAL HG12 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1
404 . 1 1 35 35 VAL HG13 H 1 0.631 0.02 . 2 . . . . 35 VAL QG1 . 16981 1
405 . 1 1 35 35 VAL HG21 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1
406 . 1 1 35 35 VAL HG22 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1
407 . 1 1 35 35 VAL HG23 H 1 0.109 0.02 . 2 . . . . 35 VAL QG2 . 16981 1
408 . 1 1 35 35 VAL CA C 13 66.876 0.4 . 1 . . . . 35 VAL CA . 16981 1
409 . 1 1 35 35 VAL CB C 13 31.612 0.4 . 1 . . . . 35 VAL CB . 16981 1
410 . 1 1 35 35 VAL CG1 C 13 21.162 0.4 . 2 . . . . 35 VAL CG1 . 16981 1
411 . 1 1 35 35 VAL CG2 C 13 21.533 0.4 . 2 . . . . 35 VAL CG2 . 16981 1
412 . 1 1 35 35 VAL N N 15 120.168 0.4 . 1 . . . . 35 VAL N . 16981 1
413 . 1 1 36 36 GLN H H 1 7.929 0.02 . 1 . . . . 36 GLN H . 16981 1
414 . 1 1 36 36 GLN HA H 1 3.909 0.02 . 1 . . . . 36 GLN HA . 16981 1
415 . 1 1 36 36 GLN HB2 H 1 2.086 0.02 . 2 . . . . 36 GLN QB . 16981 1
416 . 1 1 36 36 GLN HB3 H 1 2.086 0.02 . 2 . . . . 36 GLN QB . 16981 1
417 . 1 1 36 36 GLN HE21 H 1 7.719 0.02 . 2 . . . . 36 GLN HE21 . 16981 1
418 . 1 1 36 36 GLN HE22 H 1 6.785 0.02 . 2 . . . . 36 GLN HE22 . 16981 1
419 . 1 1 36 36 GLN HG2 H 1 2.290 0.02 . 2 . . . . 36 GLN QG . 16981 1
420 . 1 1 36 36 GLN HG3 H 1 2.290 0.02 . 2 . . . . 36 GLN QG . 16981 1
421 . 1 1 36 36 GLN CA C 13 59.021 0.4 . 1 . . . . 36 GLN CA . 16981 1
422 . 1 1 36 36 GLN CB C 13 28.197 0.4 . 1 . . . . 36 GLN CB . 16981 1
423 . 1 1 36 36 GLN CG C 13 33.665 0.4 . 1 . . . . 36 GLN CG . 16981 1
424 . 1 1 36 36 GLN N N 15 119.648 0.4 . 1 . . . . 36 GLN N . 16981 1
425 . 1 1 36 36 GLN NE2 N 15 115.180 0.4 . 1 . . . . 36 GLN NE2 . 16981 1
426 . 1 1 37 37 LEU H H 1 8.158 0.02 . 1 . . . . 37 LEU H . 16981 1
427 . 1 1 37 37 LEU HA H 1 4.049 0.02 . 1 . . . . 37 LEU HA . 16981 1
428 . 1 1 37 37 LEU HB2 H 1 1.900 0.02 . 2 . . . . 37 LEU HB2 . 16981 1
429 . 1 1 37 37 LEU HB3 H 1 1.228 0.02 . 2 . . . . 37 LEU HB3 . 16981 1
430 . 1 1 37 37 LEU HD11 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1
431 . 1 1 37 37 LEU HD12 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1
432 . 1 1 37 37 LEU HD13 H 1 0.890 0.02 . 2 . . . . 37 LEU QD1 . 16981 1
433 . 1 1 37 37 LEU HD21 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1
434 . 1 1 37 37 LEU HD22 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1
435 . 1 1 37 37 LEU HD23 H 1 0.742 0.02 . 2 . . . . 37 LEU QD2 . 16981 1
436 . 1 1 37 37 LEU HG H 1 1.736 0.02 . 1 . . . . 37 LEU HG . 16981 1
437 . 1 1 37 37 LEU CA C 13 58.332 0.4 . 1 . . . . 37 LEU CA . 16981 1
438 . 1 1 37 37 LEU CB C 13 43.166 0.4 . 1 . . . . 37 LEU CB . 16981 1
439 . 1 1 37 37 LEU CD1 C 13 23.493 0.4 . 2 . . . . 37 LEU CD1 . 16981 1
440 . 1 1 37 37 LEU CD2 C 13 24.991 0.4 . 2 . . . . 37 LEU CD2 . 16981 1
441 . 1 1 37 37 LEU CG C 13 27.693 0.4 . 1 . . . . 37 LEU CG . 16981 1
442 . 1 1 37 37 LEU N N 15 119.796 0.4 . 1 . . . . 37 LEU N . 16981 1
443 . 1 1 38 38 HIS H H 1 8.159 0.02 . 1 . . . . 38 HIS H . 16981 1
444 . 1 1 38 38 HIS HA H 1 3.937 0.02 . 1 . . . . 38 HIS HA . 16981 1
445 . 1 1 38 38 HIS HB2 H 1 3.177 0.02 . 2 . . . . 38 HIS HB2 . 16981 1
446 . 1 1 38 38 HIS HB3 H 1 2.828 0.02 . 2 . . . . 38 HIS HB3 . 16981 1
447 . 1 1 38 38 HIS HD2 H 1 6.796 0.02 . 1 . . . . 38 HIS HD2 . 16981 1
448 . 1 1 38 38 HIS HE1 H 1 7.640 0.02 . 1 . . . . 38 HIS HE1 . 16981 1
449 . 1 1 38 38 HIS CA C 13 60.936 0.4 . 1 . . . . 38 HIS CA . 16981 1
450 . 1 1 38 38 HIS CB C 13 30.497 0.4 . 1 . . . . 38 HIS CB . 16981 1
451 . 1 1 38 38 HIS CD2 C 13 120.347 0.4 . 1 . . . . 38 HIS CD2 . 16981 1
452 . 1 1 38 38 HIS CE1 C 13 138.487 0.4 . 1 . . . . 38 HIS CE1 . 16981 1
453 . 1 1 38 38 HIS N N 15 117.616 0.4 . 1 . . . . 38 HIS N . 16981 1
454 . 1 1 39 39 ASN H H 1 7.894 0.02 . 1 . . . . 39 ASN H . 16981 1
455 . 1 1 39 39 ASN HA H 1 4.086 0.02 . 1 . . . . 39 ASN HA . 16981 1
456 . 1 1 39 39 ASN HB2 H 1 2.875 0.02 . 2 . . . . 39 ASN HB2 . 16981 1
457 . 1 1 39 39 ASN HB3 H 1 2.801 0.02 . 2 . . . . 39 ASN HB3 . 16981 1
458 . 1 1 39 39 ASN HD21 H 1 6.793 0.02 . 2 . . . . 39 ASN HD21 . 16981 1
459 . 1 1 39 39 ASN HD22 H 1 7.539 0.02 . 2 . . . . 39 ASN HD22 . 16981 1
460 . 1 1 39 39 ASN CA C 13 56.381 0.4 . 1 . . . . 39 ASN CA . 16981 1
461 . 1 1 39 39 ASN CB C 13 38.136 0.4 . 1 . . . . 39 ASN CB . 16981 1
462 . 1 1 39 39 ASN N N 15 117.782 0.4 . 1 . . . . 39 ASN N . 16981 1
463 . 1 1 39 39 ASN ND2 N 15 112.606 0.4 . 1 . . . . 39 ASN ND2 . 16981 1
464 . 1 1 40 40 ASP H H 1 8.341 0.02 . 1 . . . . 40 ASP H . 16981 1
465 . 1 1 40 40 ASP HA H 1 4.168 0.02 . 1 . . . . 40 ASP HA . 16981 1
466 . 1 1 40 40 ASP HB2 H 1 2.923 0.02 . 2 . . . . 40 ASP HB2 . 16981 1
467 . 1 1 40 40 ASP HB3 H 1 2.345 0.02 . 2 . . . . 40 ASP HB3 . 16981 1
468 . 1 1 40 40 ASP CA C 13 56.944 0.4 . 1 . . . . 40 ASP CA . 16981 1
469 . 1 1 40 40 ASP CB C 13 40.267 0.4 . 1 . . . . 40 ASP CB . 16981 1
470 . 1 1 40 40 ASP N N 15 119.270 0.4 . 1 . . . . 40 ASP N . 16981 1
471 . 1 1 41 41 ILE H H 1 8.159 0.02 . 1 . . . . 41 ILE H . 16981 1
472 . 1 1 41 41 ILE HA H 1 3.238 0.02 . 1 . . . . 41 ILE HA . 16981 1
473 . 1 1 41 41 ILE HB H 1 1.821 0.02 . 1 . . . . 41 ILE HB . 16981 1
474 . 1 1 41 41 ILE HD11 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1
475 . 1 1 41 41 ILE HD12 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1
476 . 1 1 41 41 ILE HD13 H 1 0.701 0.02 . 1 . . . . 41 ILE QD1 . 16981 1
477 . 1 1 41 41 ILE HG12 H 1 0.857 0.02 . 2 . . . . 41 ILE QG1 . 16981 1
478 . 1 1 41 41 ILE HG13 H 1 0.857 0.02 . 2 . . . . 41 ILE QG1 . 16981 1
479 . 1 1 41 41 ILE HG21 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1
480 . 1 1 41 41 ILE HG22 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1
481 . 1 1 41 41 ILE HG23 H 1 0.679 0.02 . 1 . . . . 41 ILE QG2 . 16981 1
482 . 1 1 41 41 ILE CA C 13 66.121 0.4 . 1 . . . . 41 ILE CA . 16981 1
483 . 1 1 41 41 ILE CB C 13 37.892 0.4 . 1 . . . . 41 ILE CB . 16981 1
484 . 1 1 41 41 ILE CD1 C 13 15.768 0.4 . 1 . . . . 41 ILE CD1 . 16981 1
485 . 1 1 41 41 ILE CG1 C 13 31.459 0.4 . 1 . . . . 41 ILE CG1 . 16981 1
486 . 1 1 41 41 ILE CG2 C 13 18.115 0.4 . 1 . . . . 41 ILE CG2 . 16981 1
487 . 1 1 41 41 ILE N N 15 122.298 0.4 . 1 . . . . 41 ILE N . 16981 1
488 . 1 1 42 42 LEU H H 1 7.332 0.02 . 1 . . . . 42 LEU H . 16981 1
489 . 1 1 42 42 LEU HA H 1 3.782 0.02 . 1 . . . . 42 LEU HA . 16981 1
490 . 1 1 42 42 LEU HB2 H 1 1.659 0.02 . 2 . . . . 42 LEU HB2 . 16981 1
491 . 1 1 42 42 LEU HB3 H 1 1.325 0.02 . 2 . . . . 42 LEU HB3 . 16981 1
492 . 1 1 42 42 LEU HD11 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1
493 . 1 1 42 42 LEU HD12 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1
494 . 1 1 42 42 LEU HD13 H 1 0.597 0.02 . 2 . . . . 42 LEU QD1 . 16981 1
495 . 1 1 42 42 LEU HD21 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1
496 . 1 1 42 42 LEU HD22 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1
497 . 1 1 42 42 LEU HD23 H 1 0.605 0.02 . 2 . . . . 42 LEU QD2 . 16981 1
498 . 1 1 42 42 LEU HG H 1 1.380 0.02 . 1 . . . . 42 LEU HG . 16981 1
499 . 1 1 42 42 LEU CA C 13 57.475 0.4 . 1 . . . . 42 LEU CA . 16981 1
500 . 1 1 42 42 LEU CB C 13 40.896 0.4 . 1 . . . . 42 LEU CB . 16981 1
501 . 1 1 42 42 LEU CD1 C 13 25.157 0.4 . 2 . . . . 42 LEU CD1 . 16981 1
502 . 1 1 42 42 LEU CD2 C 13 23.032 0.4 . 2 . . . . 42 LEU CD2 . 16981 1
503 . 1 1 42 42 LEU CG C 13 27.037 0.4 . 1 . . . . 42 LEU CG . 16981 1
504 . 1 1 42 42 LEU N N 15 118.669 0.4 . 1 . . . . 42 LEU N . 16981 1
505 . 1 1 43 43 LEU H H 1 7.285 0.02 . 1 . . . . 43 LEU H . 16981 1
506 . 1 1 43 43 LEU HA H 1 4.186 0.02 . 1 . . . . 43 LEU HA . 16981 1
507 . 1 1 43 43 LEU HB2 H 1 1.559 0.02 . 2 . . . . 43 LEU QB . 16981 1
508 . 1 1 43 43 LEU HB3 H 1 1.559 0.02 . 2 . . . . 43 LEU QB . 16981 1
509 . 1 1 43 43 LEU HD11 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1
510 . 1 1 43 43 LEU HD12 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1
511 . 1 1 43 43 LEU HD13 H 1 0.748 0.02 . 2 . . . . 43 LEU QD1 . 16981 1
512 . 1 1 43 43 LEU HD21 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1
513 . 1 1 43 43 LEU HD22 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1
514 . 1 1 43 43 LEU HD23 H 1 0.692 0.02 . 2 . . . . 43 LEU QD2 . 16981 1
515 . 1 1 43 43 LEU HG H 1 1.593 0.02 . 1 . . . . 43 LEU HG . 16981 1
516 . 1 1 43 43 LEU CA C 13 54.182 0.4 . 1 . . . . 43 LEU CA . 16981 1
517 . 1 1 43 43 LEU CB C 13 42.206 0.4 . 1 . . . . 43 LEU CB . 16981 1
518 . 1 1 43 43 LEU CD1 C 13 25.230 0.4 . 2 . . . . 43 LEU CD1 . 16981 1
519 . 1 1 43 43 LEU CD2 C 13 22.515 0.4 . 2 . . . . 43 LEU CD2 . 16981 1
520 . 1 1 43 43 LEU CG C 13 26.831 0.4 . 1 . . . . 43 LEU CG . 16981 1
521 . 1 1 43 43 LEU N N 15 115.962 0.4 . 1 . . . . 43 LEU N . 16981 1
522 . 1 1 44 44 ALA H H 1 7.130 0.02 . 1 . . . . 44 ALA H . 16981 1
523 . 1 1 44 44 ALA HA H 1 4.021 0.02 . 1 . . . . 44 ALA HA . 16981 1
524 . 1 1 44 44 ALA HB1 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1
525 . 1 1 44 44 ALA HB2 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1
526 . 1 1 44 44 ALA HB3 H 1 1.299 0.02 . 1 . . . . 44 ALA QB . 16981 1
527 . 1 1 44 44 ALA CA C 13 52.887 0.4 . 1 . . . . 44 ALA CA . 16981 1
528 . 1 1 44 44 ALA CB C 13 18.384 0.4 . 1 . . . . 44 ALA CB . 16981 1
529 . 1 1 44 44 ALA N N 15 123.595 0.4 . 1 . . . . 44 ALA N . 16981 1
530 . 1 1 45 45 LYS H H 1 8.705 0.02 . 1 . . . . 45 LYS H . 16981 1
531 . 1 1 45 45 LYS HA H 1 4.026 0.02 . 1 . . . . 45 LYS HA . 16981 1
532 . 1 1 45 45 LYS HB2 H 1 1.762 0.02 . 2 . . . . 45 LYS QB . 16981 1
533 . 1 1 45 45 LYS HB3 H 1 1.762 0.02 . 2 . . . . 45 LYS QB . 16981 1
534 . 1 1 45 45 LYS HD2 H 1 1.615 0.02 . 2 . . . . 45 LYS QD . 16981 1
535 . 1 1 45 45 LYS HD3 H 1 1.615 0.02 . 2 . . . . 45 LYS QD . 16981 1
536 . 1 1 45 45 LYS HE2 H 1 2.938 0.02 . 2 . . . . 45 LYS QE . 16981 1
537 . 1 1 45 45 LYS HE3 H 1 2.938 0.02 . 2 . . . . 45 LYS QE . 16981 1
538 . 1 1 45 45 LYS HG2 H 1 1.441 0.02 . 2 . . . . 45 LYS HG2 . 16981 1
539 . 1 1 45 45 LYS HG3 H 1 1.400 0.02 . 2 . . . . 45 LYS HG3 . 16981 1
540 . 1 1 45 45 LYS CA C 13 57.839 0.4 . 1 . . . . 45 LYS CA . 16981 1
541 . 1 1 45 45 LYS CB C 13 32.838 0.4 . 1 . . . . 45 LYS CB . 16981 1
542 . 1 1 45 45 LYS CD C 13 28.823 0.4 . 1 . . . . 45 LYS CD . 16981 1
543 . 1 1 45 45 LYS CE C 13 41.996 0.4 . 1 . . . . 45 LYS CE . 16981 1
544 . 1 1 45 45 LYS CG C 13 24.537 0.4 . 1 . . . . 45 LYS CG . 16981 1
545 . 1 1 45 45 LYS N N 15 121.525 0.4 . 1 . . . . 45 LYS N . 16981 1
546 . 1 1 46 46 ASP H H 1 7.489 0.02 . 1 . . . . 46 ASP H . 16981 1
547 . 1 1 46 46 ASP HA H 1 4.623 0.02 . 1 . . . . 46 ASP HA . 16981 1
548 . 1 1 46 46 ASP HB2 H 1 2.864 0.02 . 2 . . . . 46 ASP HB2 . 16981 1
549 . 1 1 46 46 ASP HB3 H 1 2.761 0.02 . 2 . . . . 46 ASP HB3 . 16981 1
550 . 1 1 46 46 ASP CA C 13 52.613 0.4 . 1 . . . . 46 ASP CA . 16981 1
551 . 1 1 46 46 ASP CB C 13 42.859 0.4 . 1 . . . . 46 ASP CB . 16981 1
552 . 1 1 46 46 ASP N N 15 115.238 0.4 . 1 . . . . 46 ASP N . 16981 1
553 . 1 1 47 47 THR H H 1 8.483 0.02 . 1 . . . . 47 THR H . 16981 1
554 . 1 1 47 47 THR HA H 1 3.588 0.02 . 1 . . . . 47 THR HA . 16981 1
555 . 1 1 47 47 THR HB H 1 4.031 0.02 . 1 . . . . 47 THR HB . 16981 1
556 . 1 1 47 47 THR HG21 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1
557 . 1 1 47 47 THR HG22 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1
558 . 1 1 47 47 THR HG23 H 1 1.095 0.02 . 1 . . . . 47 THR QG2 . 16981 1
559 . 1 1 47 47 THR CA C 13 65.938 0.4 . 1 . . . . 47 THR CA . 16981 1
560 . 1 1 47 47 THR CB C 13 68.871 0.4 . 1 . . . . 47 THR CB . 16981 1
561 . 1 1 47 47 THR CG2 C 13 22.772 0.4 . 1 . . . . 47 THR CG2 . 16981 1
562 . 1 1 47 47 THR N N 15 115.846 0.4 . 1 . . . . 47 THR N . 16981 1
563 . 1 1 48 48 THR H H 1 7.951 0.02 . 1 . . . . 48 THR H . 16981 1
564 . 1 1 48 48 THR HA H 1 4.156 0.02 . 1 . . . . 48 THR HA . 16981 1
565 . 1 1 48 48 THR HB H 1 3.760 0.02 . 1 . . . . 48 THR HB . 16981 1
566 . 1 1 48 48 THR HG21 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1
567 . 1 1 48 48 THR HG22 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1
568 . 1 1 48 48 THR HG23 H 1 1.172 0.02 . 1 . . . . 48 THR QG2 . 16981 1
569 . 1 1 48 48 THR CA C 13 68.100 0.4 . 1 . . . . 48 THR CA . 16981 1
570 . 1 1 48 48 THR CB C 13 67.800 0.4 . 1 . . . . 48 THR CB . 16981 1
571 . 1 1 48 48 THR CG2 C 13 22.087 0.4 . 1 . . . . 48 THR CG2 . 16981 1
572 . 1 1 48 48 THR N N 15 118.524 0.4 . 1 . . . . 48 THR N . 16981 1
573 . 1 1 49 49 GLU H H 1 8.189 0.02 . 1 . . . . 49 GLU H . 16981 1
574 . 1 1 49 49 GLU HA H 1 3.950 0.02 . 1 . . . . 49 GLU HA . 16981 1
575 . 1 1 49 49 GLU HB2 H 1 2.033 0.02 . 2 . . . . 49 GLU HB2 . 16981 1
576 . 1 1 49 49 GLU HB3 H 1 1.907 0.02 . 2 . . . . 49 GLU HB3 . 16981 1
577 . 1 1 49 49 GLU HG2 H 1 1.993 0.02 . 2 . . . . 49 GLU HG2 . 16981 1
578 . 1 1 49 49 GLU HG3 H 1 1.970 0.02 . 2 . . . . 49 GLU HG3 . 16981 1
579 . 1 1 49 49 GLU CA C 13 59.139 0.4 . 1 . . . . 49 GLU CA . 16981 1
580 . 1 1 49 49 GLU CB C 13 30.008 0.4 . 1 . . . . 49 GLU CB . 16981 1
581 . 1 1 49 49 GLU CG C 13 36.583 0.4 . 1 . . . . 49 GLU CG . 16981 1
582 . 1 1 49 49 GLU N N 15 121.970 0.4 . 1 . . . . 49 GLU N . 16981 1
583 . 1 1 50 50 ALA H H 1 7.731 0.02 . 1 . . . . 50 ALA H . 16981 1
584 . 1 1 50 50 ALA HA H 1 3.643 0.02 . 1 . . . . 50 ALA HA . 16981 1
585 . 1 1 50 50 ALA HB1 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1
586 . 1 1 50 50 ALA HB2 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1
587 . 1 1 50 50 ALA HB3 H 1 1.150 0.02 . 1 . . . . 50 ALA QB . 16981 1
588 . 1 1 50 50 ALA CA C 13 55.702 0.4 . 1 . . . . 50 ALA CA . 16981 1
589 . 1 1 50 50 ALA CB C 13 17.462 0.4 . 1 . . . . 50 ALA CB . 16981 1
590 . 1 1 50 50 ALA N N 15 120.104 0.4 . 1 . . . . 50 ALA N . 16981 1
591 . 1 1 51 51 PHE H H 1 8.154 0.02 . 1 . . . . 51 PHE H . 16981 1
592 . 1 1 51 51 PHE HA H 1 4.129 0.02 . 1 . . . . 51 PHE HA . 16981 1
593 . 1 1 51 51 PHE HB2 H 1 2.601 0.02 . 2 . . . . 51 PHE HB2 . 16981 1
594 . 1 1 51 51 PHE HB3 H 1 2.407 0.02 . 2 . . . . 51 PHE HB3 . 16981 1
595 . 1 1 51 51 PHE HD1 H 1 7.115 0.02 . 3 . . . . 51 PHE QD . 16981 1
596 . 1 1 51 51 PHE HD2 H 1 7.115 0.02 . 3 . . . . 51 PHE QD . 16981 1
597 . 1 1 51 51 PHE HE1 H 1 7.197 0.02 . 3 . . . . 51 PHE QE . 16981 1
598 . 1 1 51 51 PHE HE2 H 1 7.197 0.02 . 3 . . . . 51 PHE QE . 16981 1
599 . 1 1 51 51 PHE HZ H 1 7.238 0.02 . 1 . . . . 51 PHE HZ . 16981 1
600 . 1 1 51 51 PHE CA C 13 61.327 0.4 . 1 . . . . 51 PHE CA . 16981 1
601 . 1 1 51 51 PHE CB C 13 38.555 0.4 . 1 . . . . 51 PHE CB . 16981 1
602 . 1 1 51 51 PHE CD1 C 13 131.056 0.4 . 3 . . . . 51 PHE CD1 . 16981 1
603 . 1 1 51 51 PHE CE1 C 13 131.027 0.4 . 3 . . . . 51 PHE CE1 . 16981 1
604 . 1 1 51 51 PHE CZ C 13 130.228 0.4 . 1 . . . . 51 PHE CZ . 16981 1
605 . 1 1 51 51 PHE N N 15 115.725 0.4 . 1 . . . . 51 PHE N . 16981 1
606 . 1 1 52 52 GLU H H 1 8.247 0.02 . 1 . . . . 52 GLU H . 16981 1
607 . 1 1 52 52 GLU HA H 1 3.442 0.02 . 1 . . . . 52 GLU HA . 16981 1
608 . 1 1 52 52 GLU HB2 H 1 1.914 0.02 . 2 . . . . 52 GLU HB2 . 16981 1
609 . 1 1 52 52 GLU HB3 H 1 1.858 0.02 . 2 . . . . 52 GLU HB3 . 16981 1
610 . 1 1 52 52 GLU HG2 H 1 2.185 0.02 . 2 . . . . 52 GLU HG2 . 16981 1
611 . 1 1 52 52 GLU HG3 H 1 1.906 0.02 . 2 . . . . 52 GLU HG3 . 16981 1
612 . 1 1 52 52 GLU CA C 13 60.194 0.4 . 1 . . . . 52 GLU CA . 16981 1
613 . 1 1 52 52 GLU CB C 13 29.372 0.4 . 1 . . . . 52 GLU CB . 16981 1
614 . 1 1 52 52 GLU CG C 13 36.480 0.4 . 1 . . . . 52 GLU CG . 16981 1
615 . 1 1 52 52 GLU N N 15 119.697 0.4 . 1 . . . . 52 GLU N . 16981 1
616 . 1 1 53 53 LYS H H 1 8.060 0.02 . 1 . . . . 53 LYS H . 16981 1
617 . 1 1 53 53 LYS HA H 1 3.990 0.02 . 1 . . . . 53 LYS HA . 16981 1
618 . 1 1 53 53 LYS HB2 H 1 1.828 0.02 . 2 . . . . 53 LYS HB2 . 16981 1
619 . 1 1 53 53 LYS HB3 H 1 1.571 0.02 . 2 . . . . 53 LYS HB3 . 16981 1
620 . 1 1 53 53 LYS HD2 H 1 1.560 0.02 . 2 . . . . 53 LYS HD2 . 16981 1
621 . 1 1 53 53 LYS HD3 H 1 1.327 0.02 . 2 . . . . 53 LYS HD3 . 16981 1
622 . 1 1 53 53 LYS HE2 H 1 2.860 0.02 . 2 . . . . 53 LYS HE2 . 16981 1
623 . 1 1 53 53 LYS HE3 H 1 2.827 0.02 . 2 . . . . 53 LYS HE3 . 16981 1
624 . 1 1 53 53 LYS HG2 H 1 1.478 0.02 . 2 . . . . 53 LYS HG2 . 16981 1
625 . 1 1 53 53 LYS HG3 H 1 1.403 0.02 . 2 . . . . 53 LYS HG3 . 16981 1
626 . 1 1 53 53 LYS CA C 13 59.250 0.4 . 1 . . . . 53 LYS CA . 16981 1
627 . 1 1 53 53 LYS CB C 13 33.458 0.4 . 1 . . . . 53 LYS CB . 16981 1
628 . 1 1 53 53 LYS CD C 13 29.131 0.4 . 1 . . . . 53 LYS CD . 16981 1
629 . 1 1 53 53 LYS CE C 13 42.282 0.4 . 1 . . . . 53 LYS CE . 16981 1
630 . 1 1 53 53 LYS CG C 13 26.460 0.4 . 1 . . . . 53 LYS CG . 16981 1
631 . 1 1 53 53 LYS N N 15 118.723 0.4 . 1 . . . . 53 LYS N . 16981 1
632 . 1 1 54 54 MET H H 1 8.515 0.02 . 1 . . . . 54 MET H . 16981 1
633 . 1 1 54 54 MET HA H 1 4.000 0.02 . 1 . . . . 54 MET HA . 16981 1
634 . 1 1 54 54 MET HB2 H 1 2.075 0.02 . 2 . . . . 54 MET HB2 . 16981 1
635 . 1 1 54 54 MET HB3 H 1 2.241 0.02 . 2 . . . . 54 MET HB3 . 16981 1
636 . 1 1 54 54 MET HE1 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1
637 . 1 1 54 54 MET HE2 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1
638 . 1 1 54 54 MET HE3 H 1 1.835 0.02 . 1 . . . . 54 MET QE . 16981 1
639 . 1 1 54 54 MET HG2 H 1 2.530 0.02 . 2 . . . . 54 MET QG . 16981 1
640 . 1 1 54 54 MET HG3 H 1 2.530 0.02 . 2 . . . . 54 MET QG . 16981 1
641 . 1 1 54 54 MET CA C 13 59.600 0.4 . 1 . . . . 54 MET CA . 16981 1
642 . 1 1 54 54 MET CB C 13 33.449 0.4 . 1 . . . . 54 MET CB . 16981 1
643 . 1 1 54 54 MET CE C 13 17.589 0.4 . 1 . . . . 54 MET CE . 16981 1
644 . 1 1 54 54 MET CG C 13 32.860 0.4 . 1 . . . . 54 MET CG . 16981 1
645 . 1 1 54 54 MET N N 15 122.377 0.4 . 1 . . . . 54 MET N . 16981 1
646 . 1 1 55 55 VAL H H 1 8.537 0.02 . 1 . . . . 55 VAL H . 16981 1
647 . 1 1 55 55 VAL HA H 1 3.369 0.02 . 1 . . . . 55 VAL HA . 16981 1
648 . 1 1 55 55 VAL HB H 1 2.297 0.02 . 1 . . . . 55 VAL HB . 16981 1
649 . 1 1 55 55 VAL HG11 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1
650 . 1 1 55 55 VAL HG12 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1
651 . 1 1 55 55 VAL HG13 H 1 1.113 0.02 . 2 . . . . 55 VAL QG1 . 16981 1
652 . 1 1 55 55 VAL HG21 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1
653 . 1 1 55 55 VAL HG22 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1
654 . 1 1 55 55 VAL HG23 H 1 0.906 0.02 . 2 . . . . 55 VAL QG2 . 16981 1
655 . 1 1 55 55 VAL CA C 13 67.682 0.4 . 1 . . . . 55 VAL CA . 16981 1
656 . 1 1 55 55 VAL CB C 13 31.292 0.4 . 1 . . . . 55 VAL CB . 16981 1
657 . 1 1 55 55 VAL CG1 C 13 24.798 0.4 . 2 . . . . 55 VAL CG1 . 16981 1
658 . 1 1 55 55 VAL CG2 C 13 21.845 0.4 . 2 . . . . 55 VAL CG2 . 16981 1
659 . 1 1 55 55 VAL N N 15 119.577 0.4 . 1 . . . . 55 VAL N . 16981 1
660 . 1 1 56 56 SER H H 1 7.840 0.02 . 1 . . . . 56 SER H . 16981 1
661 . 1 1 56 56 SER HA H 1 4.048 0.02 . 1 . . . . 56 SER HA . 16981 1
662 . 1 1 56 56 SER HB2 H 1 4.101 0.02 . 2 . . . . 56 SER HB2 . 16981 1
663 . 1 1 56 56 SER HB3 H 1 3.919 0.02 . 2 . . . . 56 SER HB3 . 16981 1
664 . 1 1 56 56 SER CA C 13 62.652 0.4 . 1 . . . . 56 SER CA . 16981 1
665 . 1 1 56 56 SER CB C 13 62.560 0.4 . 1 . . . . 56 SER CB . 16981 1
666 . 1 1 56 56 SER N N 15 117.478 0.4 . 1 . . . . 56 SER N . 16981 1
667 . 1 1 57 57 LEU H H 1 8.133 0.02 . 1 . . . . 57 LEU H . 16981 1
668 . 1 1 57 57 LEU HA H 1 3.908 0.02 . 1 . . . . 57 LEU HA . 16981 1
669 . 1 1 57 57 LEU HB2 H 1 1.976 0.02 . 2 . . . . 57 LEU HB2 . 16981 1
670 . 1 1 57 57 LEU HB3 H 1 1.401 0.02 . 2 . . . . 57 LEU HB3 . 16981 1
671 . 1 1 57 57 LEU HD11 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1
672 . 1 1 57 57 LEU HD12 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1
673 . 1 1 57 57 LEU HD13 H 1 0.857 0.02 . 2 . . . . 57 LEU QD1 . 16981 1
674 . 1 1 57 57 LEU HD21 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1
675 . 1 1 57 57 LEU HD22 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1
676 . 1 1 57 57 LEU HD23 H 1 0.683 0.02 . 2 . . . . 57 LEU QD2 . 16981 1
677 . 1 1 57 57 LEU HG H 1 1.333 0.02 . 1 . . . . 57 LEU HG . 16981 1
678 . 1 1 57 57 LEU CA C 13 58.553 0.4 . 1 . . . . 57 LEU CA . 16981 1
679 . 1 1 57 57 LEU CB C 13 41.799 0.4 . 1 . . . . 57 LEU CB . 16981 1
680 . 1 1 57 57 LEU CD1 C 13 23.878 0.4 . 2 . . . . 57 LEU CD1 . 16981 1
681 . 1 1 57 57 LEU CD2 C 13 25.847 0.4 . 2 . . . . 57 LEU CD2 . 16981 1
682 . 1 1 57 57 LEU CG C 13 27.939 0.4 . 1 . . . . 57 LEU CG . 16981 1
683 . 1 1 57 57 LEU N N 15 122.417 0.4 . 1 . . . . 57 LEU N . 16981 1
684 . 1 1 58 58 LEU H H 1 8.398 0.02 . 1 . . . . 58 LEU H . 16981 1
685 . 1 1 58 58 LEU HA H 1 3.760 0.02 . 1 . . . . 58 LEU HA . 16981 1
686 . 1 1 58 58 LEU HB2 H 1 1.764 0.02 . 2 . . . . 58 LEU HB2 . 16981 1
687 . 1 1 58 58 LEU HB3 H 1 1.243 0.02 . 2 . . . . 58 LEU HB3 . 16981 1
688 . 1 1 58 58 LEU HD11 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1
689 . 1 1 58 58 LEU HD12 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1
690 . 1 1 58 58 LEU HD13 H 1 0.812 0.02 . 2 . . . . 58 LEU QD1 . 16981 1
691 . 1 1 58 58 LEU HD21 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1
692 . 1 1 58 58 LEU HD22 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1
693 . 1 1 58 58 LEU HD23 H 1 0.567 0.02 . 2 . . . . 58 LEU QD2 . 16981 1
694 . 1 1 58 58 LEU HG H 1 1.885 0.02 . 1 . . . . 58 LEU HG . 16981 1
695 . 1 1 58 58 LEU CA C 13 58.279 0.4 . 1 . . . . 58 LEU CA . 16981 1
696 . 1 1 58 58 LEU CB C 13 41.667 0.4 . 1 . . . . 58 LEU CB . 16981 1
697 . 1 1 58 58 LEU CD1 C 13 26.626 0.4 . 2 . . . . 58 LEU CD1 . 16981 1
698 . 1 1 58 58 LEU CD2 C 13 23.069 0.4 . 2 . . . . 58 LEU CD2 . 16981 1
699 . 1 1 58 58 LEU CG C 13 27.670 0.4 . 1 . . . . 58 LEU CG . 16981 1
700 . 1 1 58 58 LEU N N 15 116.153 0.4 . 1 . . . . 58 LEU N . 16981 1
701 . 1 1 59 59 SER H H 1 8.445 0.02 . 1 . . . . 59 SER H . 16981 1
702 . 1 1 59 59 SER HA H 1 3.966 0.02 . 1 . . . . 59 SER HA . 16981 1
703 . 1 1 59 59 SER HB2 H 1 3.736 0.02 . 2 . . . . 59 SER QB . 16981 1
704 . 1 1 59 59 SER HB3 H 1 3.736 0.02 . 2 . . . . 59 SER QB . 16981 1
705 . 1 1 59 59 SER CA C 13 63.057 0.4 . 1 . . . . 59 SER CA . 16981 1
706 . 1 1 59 59 SER CB C 13 63.049 0.4 . 1 . . . . 59 SER CB . 16981 1
707 . 1 1 59 59 SER N N 15 114.131 0.4 . 1 . . . . 59 SER N . 16981 1
708 . 1 1 60 60 VAL H H 1 8.182 0.02 . 1 . . . . 60 VAL H . 16981 1
709 . 1 1 60 60 VAL HA H 1 3.753 0.02 . 1 . . . . 60 VAL HA . 16981 1
710 . 1 1 60 60 VAL HB H 1 2.127 0.02 . 1 . . . . 60 VAL HB . 16981 1
711 . 1 1 60 60 VAL HG11 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1
712 . 1 1 60 60 VAL HG12 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1
713 . 1 1 60 60 VAL HG13 H 1 0.914 0.02 . 2 . . . . 60 VAL QG1 . 16981 1
714 . 1 1 60 60 VAL HG21 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1
715 . 1 1 60 60 VAL HG22 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1
716 . 1 1 60 60 VAL HG23 H 1 0.798 0.02 . 2 . . . . 60 VAL QG2 . 16981 1
717 . 1 1 60 60 VAL CA C 13 66.329 0.4 . 1 . . . . 60 VAL CA . 16981 1
718 . 1 1 60 60 VAL CB C 13 31.205 0.4 . 1 . . . . 60 VAL CB . 16981 1
719 . 1 1 60 60 VAL CG1 C 13 22.588 0.4 . 2 . . . . 60 VAL CG1 . 16981 1
720 . 1 1 60 60 VAL CG2 C 13 21.428 0.4 . 2 . . . . 60 VAL CG2 . 16981 1
721 . 1 1 60 60 VAL N N 15 123.583 0.4 . 1 . . . . 60 VAL N . 16981 1
722 . 1 1 61 61 LEU H H 1 7.398 0.02 . 1 . . . . 61 LEU H . 16981 1
723 . 1 1 61 61 LEU HA H 1 3.949 0.02 . 1 . . . . 61 LEU HA . 16981 1
724 . 1 1 61 61 LEU HB2 H 1 1.103 0.02 . 2 . . . . 61 LEU HB2 . 16981 1
725 . 1 1 61 61 LEU HB3 H 1 1.867 0.02 . 2 . . . . 61 LEU HB3 . 16981 1
726 . 1 1 61 61 LEU HD11 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1
727 . 1 1 61 61 LEU HD12 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1
728 . 1 1 61 61 LEU HD13 H 1 0.486 0.02 . 2 . . . . 61 LEU QD1 . 16981 1
729 . 1 1 61 61 LEU HD21 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1
730 . 1 1 61 61 LEU HD22 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1
731 . 1 1 61 61 LEU HD23 H 1 0.677 0.02 . 2 . . . . 61 LEU QD2 . 16981 1
732 . 1 1 61 61 LEU HG H 1 1.844 0.02 . 1 . . . . 61 LEU HG . 16981 1
733 . 1 1 61 61 LEU CA C 13 57.916 0.4 . 1 . . . . 61 LEU CA . 16981 1
734 . 1 1 61 61 LEU CB C 13 41.990 0.4 . 1 . . . . 61 LEU CB . 16981 1
735 . 1 1 61 61 LEU CD1 C 13 24.570 0.4 . 2 . . . . 61 LEU CD1 . 16981 1
736 . 1 1 61 61 LEU CD2 C 13 22.509 0.4 . 2 . . . . 61 LEU CD2 . 16981 1
737 . 1 1 61 61 LEU CG C 13 26.330 0.4 . 1 . . . . 61 LEU CG . 16981 1
738 . 1 1 61 61 LEU N N 15 119.896 0.4 . 1 . . . . 61 LEU N . 16981 1
739 . 1 1 62 62 LEU H H 1 8.158 0.02 . 1 . . . . 62 LEU H . 16981 1
740 . 1 1 62 62 LEU HA H 1 3.891 0.02 . 1 . . . . 62 LEU HA . 16981 1
741 . 1 1 62 62 LEU HB2 H 1 1.876 0.02 . 2 . . . . 62 LEU HB2 . 16981 1
742 . 1 1 62 62 LEU HB3 H 1 1.268 0.02 . 2 . . . . 62 LEU HB3 . 16981 1
743 . 1 1 62 62 LEU HD11 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1
744 . 1 1 62 62 LEU HD12 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1
745 . 1 1 62 62 LEU HD13 H 1 0.845 0.02 . 2 . . . . 62 LEU QD1 . 16981 1
746 . 1 1 62 62 LEU HD21 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1
747 . 1 1 62 62 LEU HD22 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1
748 . 1 1 62 62 LEU HD23 H 1 0.678 0.02 . 2 . . . . 62 LEU QD2 . 16981 1
749 . 1 1 62 62 LEU HG H 1 1.564 0.02 . 1 . . . . 62 LEU HG . 16981 1
750 . 1 1 62 62 LEU CA C 13 57.941 0.4 . 1 . . . . 62 LEU CA . 16981 1
751 . 1 1 62 62 LEU CB C 13 42.089 0.4 . 1 . . . . 62 LEU CB . 16981 1
752 . 1 1 62 62 LEU CD1 C 13 26.127 0.4 . 2 . . . . 62 LEU CD1 . 16981 1
753 . 1 1 62 62 LEU CD2 C 13 24.632 0.4 . 2 . . . . 62 LEU CD2 . 16981 1
754 . 1 1 62 62 LEU CG C 13 27.688 0.4 . 1 . . . . 62 LEU CG . 16981 1
755 . 1 1 62 62 LEU N N 15 119.396 0.4 . 1 . . . . 62 LEU N . 16981 1
756 . 1 1 63 63 SER H H 1 8.777 0.02 . 1 . . . . 63 SER H . 16981 1
757 . 1 1 63 63 SER HA H 1 3.925 0.02 . 1 . . . . 63 SER HA . 16981 1
758 . 1 1 63 63 SER HB2 H 1 3.920 0.02 . 2 . . . . 63 SER QB . 16981 1
759 . 1 1 63 63 SER HB3 H 1 3.920 0.02 . 2 . . . . 63 SER QB . 16981 1
760 . 1 1 63 63 SER CA C 13 61.639 0.4 . 1 . . . . 63 SER CA . 16981 1
761 . 1 1 63 63 SER CB C 13 62.413 0.4 . 1 . . . . 63 SER CB . 16981 1
762 . 1 1 63 63 SER N N 15 117.288 0.4 . 1 . . . . 63 SER N . 16981 1
763 . 1 1 64 64 MET H H 1 7.393 0.02 . 1 . . . . 64 MET H . 16981 1
764 . 1 1 64 64 MET HA H 1 4.225 0.02 . 1 . . . . 64 MET HA . 16981 1
765 . 1 1 64 64 MET HB2 H 1 2.134 0.02 . 2 . . . . 64 MET HB2 . 16981 1
766 . 1 1 64 64 MET HB3 H 1 2.177 0.02 . 2 . . . . 64 MET HB3 . 16981 1
767 . 1 1 64 64 MET HE1 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1
768 . 1 1 64 64 MET HE2 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1
769 . 1 1 64 64 MET HE3 H 1 2.022 0.02 . 1 . . . . 64 MET QE . 16981 1
770 . 1 1 64 64 MET HG2 H 1 2.590 0.02 . 2 . . . . 64 MET HG2 . 16981 1
771 . 1 1 64 64 MET HG3 H 1 2.690 0.02 . 2 . . . . 64 MET HG3 . 16981 1
772 . 1 1 64 64 MET CA C 13 57.243 0.4 . 1 . . . . 64 MET CA . 16981 1
773 . 1 1 64 64 MET CB C 13 31.384 0.4 . 1 . . . . 64 MET CB . 16981 1
774 . 1 1 64 64 MET CE C 13 17.659 0.4 . 1 . . . . 64 MET CE . 16981 1
775 . 1 1 64 64 MET CG C 13 31.630 0.4 . 1 . . . . 64 MET CG . 16981 1
776 . 1 1 64 64 MET N N 15 120.245 0.4 . 1 . . . . 64 MET N . 16981 1
777 . 1 1 65 65 GLN H H 1 7.415 0.02 . 1 . . . . 65 GLN H . 16981 1
778 . 1 1 65 65 GLN HA H 1 4.229 0.02 . 1 . . . . 65 GLN HA . 16981 1
779 . 1 1 65 65 GLN HB2 H 1 2.451 0.02 . 2 . . . . 65 GLN HB2 . 16981 1
780 . 1 1 65 65 GLN HB3 H 1 1.983 0.02 . 2 . . . . 65 GLN HB3 . 16981 1
781 . 1 1 65 65 GLN HE21 H 1 6.920 0.02 . 2 . . . . 65 GLN HE21 . 16981 1
782 . 1 1 65 65 GLN HE22 H 1 7.484 0.02 . 2 . . . . 65 GLN HE22 . 16981 1
783 . 1 1 65 65 GLN HG2 H 1 2.579 0.02 . 2 . . . . 65 GLN HG2 . 16981 1
784 . 1 1 65 65 GLN HG3 H 1 2.018 0.02 . 2 . . . . 65 GLN HG3 . 16981 1
785 . 1 1 65 65 GLN CA C 13 54.997 0.4 . 1 . . . . 65 GLN CA . 16981 1
786 . 1 1 65 65 GLN CB C 13 28.516 0.4 . 1 . . . . 65 GLN CB . 16981 1
787 . 1 1 65 65 GLN CG C 13 33.712 0.4 . 1 . . . . 65 GLN CG . 16981 1
788 . 1 1 65 65 GLN N N 15 115.671 0.4 . 1 . . . . 65 GLN N . 16981 1
789 . 1 1 65 65 GLN NE2 N 15 112.679 0.4 . 1 . . . . 65 GLN NE2 . 16981 1
790 . 1 1 66 66 GLY H H 1 7.518 0.02 . 1 . . . . 66 GLY H . 16981 1
791 . 1 1 66 66 GLY HA2 H 1 3.638 0.02 . 2 . . . . 66 GLY HA2 . 16981 1
792 . 1 1 66 66 GLY HA3 H 1 4.414 0.02 . 2 . . . . 66 GLY HA3 . 16981 1
793 . 1 1 66 66 GLY CA C 13 44.524 0.4 . 1 . . . . 66 GLY CA . 16981 1
794 . 1 1 66 66 GLY N N 15 104.283 0.4 . 1 . . . . 66 GLY N . 16981 1
795 . 1 1 67 67 ALA H H 1 7.603 0.02 . 1 . . . . 67 ALA H . 16981 1
796 . 1 1 67 67 ALA HA H 1 4.934 0.02 . 1 . . . . 67 ALA HA . 16981 1
797 . 1 1 67 67 ALA HB1 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1
798 . 1 1 67 67 ALA HB2 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1
799 . 1 1 67 67 ALA HB3 H 1 1.076 0.02 . 1 . . . . 67 ALA QB . 16981 1
800 . 1 1 67 67 ALA CA C 13 50.269 0.4 . 1 . . . . 67 ALA CA . 16981 1
801 . 1 1 67 67 ALA CB C 13 16.779 0.4 . 1 . . . . 67 ALA CB . 16981 1
802 . 1 1 67 67 ALA N N 15 123.785 0.4 . 1 . . . . 67 ALA N . 16981 1
803 . 1 1 68 68 VAL H H 1 7.631 0.02 . 1 . . . . 68 VAL H . 16981 1
804 . 1 1 68 68 VAL HA H 1 3.861 0.02 . 1 . . . . 68 VAL HA . 16981 1
805 . 1 1 68 68 VAL HB H 1 2.009 0.02 . 1 . . . . 68 VAL HB . 16981 1
806 . 1 1 68 68 VAL HG11 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1
807 . 1 1 68 68 VAL HG12 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1
808 . 1 1 68 68 VAL HG13 H 1 0.866 0.02 . 2 . . . . 68 VAL QG1 . 16981 1
809 . 1 1 68 68 VAL HG21 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1
810 . 1 1 68 68 VAL HG22 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1
811 . 1 1 68 68 VAL HG23 H 1 0.840 0.02 . 2 . . . . 68 VAL QG2 . 16981 1
812 . 1 1 68 68 VAL CA C 13 64.023 0.4 . 1 . . . . 68 VAL CA . 16981 1
813 . 1 1 68 68 VAL CB C 13 31.899 0.4 . 1 . . . . 68 VAL CB . 16981 1
814 . 1 1 68 68 VAL CG1 C 13 21.433 0.4 . 2 . . . . 68 VAL CG1 . 16981 1
815 . 1 1 68 68 VAL CG2 C 13 20.176 0.4 . 2 . . . . 68 VAL CG2 . 16981 1
816 . 1 1 68 68 VAL N N 15 121.190 0.4 . 1 . . . . 68 VAL N . 16981 1
817 . 1 1 69 69 ASP H H 1 8.385 0.02 . 1 . . . . 69 ASP H . 16981 1
818 . 1 1 69 69 ASP HA H 1 4.990 0.02 . 1 . . . . 69 ASP HA . 16981 1
819 . 1 1 69 69 ASP HB2 H 1 2.837 0.02 . 2 . . . . 69 ASP HB2 . 16981 1
820 . 1 1 69 69 ASP HB3 H 1 2.307 0.02 . 2 . . . . 69 ASP HB3 . 16981 1
821 . 1 1 69 69 ASP CA C 13 55.270 0.4 . 1 . . . . 69 ASP CA . 16981 1
822 . 1 1 69 69 ASP CB C 13 41.100 0.4 . 1 . . . . 69 ASP CB . 16981 1
823 . 1 1 69 69 ASP N N 15 119.157 0.4 . 1 . . . . 69 ASP N . 16981 1
824 . 1 1 70 70 ILE H H 1 7.777 0.02 . 1 . . . . 70 ILE H . 16981 1
825 . 1 1 70 70 ILE HA H 1 3.898 0.02 . 1 . . . . 70 ILE HA . 16981 1
826 . 1 1 70 70 ILE HB H 1 1.870 0.02 . 1 . . . . 70 ILE HB . 16981 1
827 . 1 1 70 70 ILE HD11 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1
828 . 1 1 70 70 ILE HD12 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1
829 . 1 1 70 70 ILE HD13 H 1 0.724 0.02 . 1 . . . . 70 ILE QD1 . 16981 1
830 . 1 1 70 70 ILE HG12 H 1 1.303 0.02 . 2 . . . . 70 ILE QG1 . 16981 1
831 . 1 1 70 70 ILE HG13 H 1 1.303 0.02 . 2 . . . . 70 ILE QG1 . 16981 1
832 . 1 1 70 70 ILE HG21 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1
833 . 1 1 70 70 ILE HG22 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1
834 . 1 1 70 70 ILE HG23 H 1 1.024 0.02 . 1 . . . . 70 ILE QG2 . 16981 1
835 . 1 1 70 70 ILE CA C 13 61.131 0.4 . 1 . . . . 70 ILE CA . 16981 1
836 . 1 1 70 70 ILE CB C 13 38.497 0.4 . 1 . . . . 70 ILE CB . 16981 1
837 . 1 1 70 70 ILE CD1 C 13 14.700 0.4 . 1 . . . . 70 ILE CD1 . 16981 1
838 . 1 1 70 70 ILE CG1 C 13 28.746 0.4 . 1 . . . . 70 ILE CG1 . 16981 1
839 . 1 1 70 70 ILE CG2 C 13 19.982 0.4 . 1 . . . . 70 ILE CG2 . 16981 1
840 . 1 1 70 70 ILE N N 15 120.017 0.4 . 1 . . . . 70 ILE N . 16981 1
841 . 1 1 71 71 ASN H H 1 8.121 0.02 . 1 . . . . 71 ASN H . 16981 1
842 . 1 1 71 71 ASN HA H 1 4.394 0.02 . 1 . . . . 71 ASN HA . 16981 1
843 . 1 1 71 71 ASN HB2 H 1 2.724 0.02 . 2 . . . . 71 ASN QB . 16981 1
844 . 1 1 71 71 ASN HB3 H 1 2.724 0.02 . 2 . . . . 71 ASN QB . 16981 1
845 . 1 1 71 71 ASN HD21 H 1 7.600 0.02 . 2 . . . . 71 ASN HD21 . 16981 1
846 . 1 1 71 71 ASN HD22 H 1 6.750 0.02 . 2 . . . . 71 ASN HD22 . 16981 1
847 . 1 1 71 71 ASN CA C 13 56.872 0.4 . 1 . . . . 71 ASN CA . 16981 1
848 . 1 1 71 71 ASN CB C 13 37.244 0.4 . 1 . . . . 71 ASN CB . 16981 1
849 . 1 1 71 71 ASN N N 15 121.801 0.4 . 1 . . . . 71 ASN N . 16981 1
850 . 1 1 71 71 ASN ND2 N 15 112.491 0.4 . 1 . . . . 71 ASN ND2 . 16981 1
851 . 1 1 72 72 ARG H H 1 7.687 0.02 . 1 . . . . 72 ARG H . 16981 1
852 . 1 1 72 72 ARG HA H 1 3.978 0.02 . 1 . . . . 72 ARG HA . 16981 1
853 . 1 1 72 72 ARG HB2 H 1 1.800 0.02 . 2 . . . . 72 ARG HB2 . 16981 1
854 . 1 1 72 72 ARG HB3 H 1 1.764 0.02 . 2 . . . . 72 ARG HB3 . 16981 1
855 . 1 1 72 72 ARG HD2 H 1 3.156 0.02 . 2 . . . . 72 ARG HD2 . 16981 1
856 . 1 1 72 72 ARG HD3 H 1 3.088 0.02 . 2 . . . . 72 ARG HD3 . 16981 1
857 . 1 1 72 72 ARG HG2 H 1 1.520 0.02 . 2 . . . . 72 ARG HG2 . 16981 1
858 . 1 1 72 72 ARG HG3 H 1 1.668 0.02 . 2 . . . . 72 ARG HG3 . 16981 1
859 . 1 1 72 72 ARG CA C 13 58.709 0.4 . 1 . . . . 72 ARG CA . 16981 1
860 . 1 1 72 72 ARG CB C 13 29.877 0.4 . 1 . . . . 72 ARG CB . 16981 1
861 . 1 1 72 72 ARG CD C 13 43.456 0.4 . 1 . . . . 72 ARG CD . 16981 1
862 . 1 1 72 72 ARG CG C 13 27.477 0.4 . 1 . . . . 72 ARG CG . 16981 1
863 . 1 1 72 72 ARG N N 15 120.472 0.4 . 1 . . . . 72 ARG N . 16981 1
864 . 1 1 73 73 LEU H H 1 7.776 0.02 . 1 . . . . 73 LEU H . 16981 1
865 . 1 1 73 73 LEU HA H 1 3.895 0.02 . 1 . . . . 73 LEU HA . 16981 1
866 . 1 1 73 73 LEU HB2 H 1 2.110 0.02 . 2 . . . . 73 LEU HB2 . 16981 1
867 . 1 1 73 73 LEU HB3 H 1 1.234 0.02 . 2 . . . . 73 LEU HB3 . 16981 1
868 . 1 1 73 73 LEU HD11 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1
869 . 1 1 73 73 LEU HD12 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1
870 . 1 1 73 73 LEU HD13 H 1 0.683 0.02 . 2 . . . . 73 LEU QD1 . 16981 1
871 . 1 1 73 73 LEU HD21 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1
872 . 1 1 73 73 LEU HD22 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1
873 . 1 1 73 73 LEU HD23 H 1 0.757 0.02 . 2 . . . . 73 LEU QD2 . 16981 1
874 . 1 1 73 73 LEU HG H 1 1.515 0.02 . 1 . . . . 73 LEU HG . 16981 1
875 . 1 1 73 73 LEU CA C 13 58.038 0.4 . 1 . . . . 73 LEU CA . 16981 1
876 . 1 1 73 73 LEU CB C 13 41.170 0.4 . 1 . . . . 73 LEU CB . 16981 1
877 . 1 1 73 73 LEU CD1 C 13 25.847 0.4 . 2 . . . . 73 LEU CD1 . 16981 1
878 . 1 1 73 73 LEU CD2 C 13 23.417 0.4 . 2 . . . . 73 LEU CD2 . 16981 1
879 . 1 1 73 73 LEU CG C 13 27.354 0.4 . 1 . . . . 73 LEU CG . 16981 1
880 . 1 1 73 73 LEU N N 15 120.304 0.4 . 1 . . . . 73 LEU N . 16981 1
881 . 1 1 74 74 CYS H H 1 7.976 0.02 . 1 . . . . 74 CYS H . 16981 1
882 . 1 1 74 74 CYS HA H 1 3.873 0.02 . 1 . . . . 74 CYS HA . 16981 1
883 . 1 1 74 74 CYS HB2 H 1 3.061 0.02 . 2 . . . . 74 CYS HB2 . 16981 1
884 . 1 1 74 74 CYS HB3 H 1 2.690 0.02 . 2 . . . . 74 CYS HB3 . 16981 1
885 . 1 1 74 74 CYS CA C 13 64.609 0.4 . 1 . . . . 74 CYS CA . 16981 1
886 . 1 1 74 74 CYS CB C 13 26.618 0.4 . 1 . . . . 74 CYS CB . 16981 1
887 . 1 1 74 74 CYS N N 15 117.317 0.4 . 1 . . . . 74 CYS N . 16981 1
888 . 1 1 75 75 GLU H H 1 8.008 0.02 . 1 . . . . 75 GLU H . 16981 1
889 . 1 1 75 75 GLU HA H 1 3.831 0.02 . 1 . . . . 75 GLU HA . 16981 1
890 . 1 1 75 75 GLU HB2 H 1 1.964 0.02 . 2 . . . . 75 GLU QB . 16981 1
891 . 1 1 75 75 GLU HB3 H 1 1.964 0.02 . 2 . . . . 75 GLU QB . 16981 1
892 . 1 1 75 75 GLU HG2 H 1 2.310 0.02 . 2 . . . . 75 GLU HG2 . 16981 1
893 . 1 1 75 75 GLU HG3 H 1 2.130 0.02 . 2 . . . . 75 GLU HG3 . 16981 1
894 . 1 1 75 75 GLU CA C 13 59.334 0.4 . 1 . . . . 75 GLU CA . 16981 1
895 . 1 1 75 75 GLU CB C 13 29.744 0.4 . 1 . . . . 75 GLU CB . 16981 1
896 . 1 1 75 75 GLU CG C 13 36.298 0.4 . 1 . . . . 75 GLU CG . 16981 1
897 . 1 1 75 75 GLU N N 15 118.260 0.4 . 1 . . . . 75 GLU N . 16981 1
898 . 1 1 76 76 GLU H H 1 8.039 0.02 . 1 . . . . 76 GLU H . 16981 1
899 . 1 1 76 76 GLU HA H 1 3.926 0.02 . 1 . . . . 76 GLU HA . 16981 1
900 . 1 1 76 76 GLU HB2 H 1 2.042 0.02 . 2 . . . . 76 GLU HB2 . 16981 1
901 . 1 1 76 76 GLU HB3 H 1 2.193 0.02 . 2 . . . . 76 GLU HB3 . 16981 1
902 . 1 1 76 76 GLU HG2 H 1 2.254 0.02 . 2 . . . . 76 GLU HG2 . 16981 1
903 . 1 1 76 76 GLU HG3 H 1 2.114 0.02 . 2 . . . . 76 GLU HG3 . 16981 1
904 . 1 1 76 76 GLU CA C 13 59.412 0.4 . 1 . . . . 76 GLU CA . 16981 1
905 . 1 1 76 76 GLU CB C 13 30.018 0.4 . 1 . . . . 76 GLU CB . 16981 1
906 . 1 1 76 76 GLU CG C 13 36.798 0.4 . 1 . . . . 76 GLU CG . 16981 1
907 . 1 1 76 76 GLU N N 15 119.188 0.4 . 1 . . . . 76 GLU N . 16981 1
908 . 1 1 77 77 MET H H 1 8.018 0.02 . 1 . . . . 77 MET H . 16981 1
909 . 1 1 77 77 MET HA H 1 3.905 0.02 . 1 . . . . 77 MET HA . 16981 1
910 . 1 1 77 77 MET HB2 H 1 2.103 0.02 . 2 . . . . 77 MET HB2 . 16981 1
911 . 1 1 77 77 MET HB3 H 1 1.786 0.02 . 2 . . . . 77 MET HB3 . 16981 1
912 . 1 1 77 77 MET HE1 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1
913 . 1 1 77 77 MET HE2 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1
914 . 1 1 77 77 MET HE3 H 1 1.815 0.02 . 1 . . . . 77 MET QE . 16981 1
915 . 1 1 77 77 MET HG2 H 1 2.198 0.02 . 2 . . . . 77 MET HG2 . 16981 1
916 . 1 1 77 77 MET HG3 H 1 2.908 0.02 . 2 . . . . 77 MET HG3 . 16981 1
917 . 1 1 77 77 MET CA C 13 59.334 0.4 . 1 . . . . 77 MET CA . 16981 1
918 . 1 1 77 77 MET CB C 13 33.762 0.4 . 1 . . . . 77 MET CB . 16981 1
919 . 1 1 77 77 MET CE C 13 16.921 0.4 . 1 . . . . 77 MET CE . 16981 1
920 . 1 1 77 77 MET CG C 13 32.140 0.4 . 1 . . . . 77 MET CG . 16981 1
921 . 1 1 77 77 MET N N 15 116.441 0.4 . 1 . . . . 77 MET N . 16981 1
922 . 1 1 78 78 LEU H H 1 7.572 0.02 . 1 . . . . 78 LEU H . 16981 1
923 . 1 1 78 78 LEU HA H 1 3.950 0.02 . 1 . . . . 78 LEU HA . 16981 1
924 . 1 1 78 78 LEU HB2 H 1 1.703 0.02 . 2 . . . . 78 LEU HB2 . 16981 1
925 . 1 1 78 78 LEU HB3 H 1 1.370 0.02 . 2 . . . . 78 LEU HB3 . 16981 1
926 . 1 1 78 78 LEU HD11 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1
927 . 1 1 78 78 LEU HD12 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1
928 . 1 1 78 78 LEU HD13 H 1 0.731 0.02 . 2 . . . . 78 LEU QD1 . 16981 1
929 . 1 1 78 78 LEU HD21 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1
930 . 1 1 78 78 LEU HD22 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1
931 . 1 1 78 78 LEU HD23 H 1 0.465 0.02 . 2 . . . . 78 LEU QD2 . 16981 1
932 . 1 1 78 78 LEU HG H 1 1.554 0.02 . 1 . . . . 78 LEU HG . 16981 1
933 . 1 1 78 78 LEU CA C 13 56.248 0.4 . 1 . . . . 78 LEU CA . 16981 1
934 . 1 1 78 78 LEU CB C 13 41.628 0.4 . 1 . . . . 78 LEU CB . 16981 1
935 . 1 1 78 78 LEU CD1 C 13 25.346 0.4 . 2 . . . . 78 LEU CD1 . 16981 1
936 . 1 1 78 78 LEU CD2 C 13 22.448 0.4 . 2 . . . . 78 LEU CD2 . 16981 1
937 . 1 1 78 78 LEU CG C 13 26.870 0.4 . 1 . . . . 78 LEU CG . 16981 1
938 . 1 1 78 78 LEU N N 15 116.542 0.4 . 1 . . . . 78 LEU N . 16981 1
939 . 1 1 79 79 ASP H H 1 8.005 0.02 . 1 . . . . 79 ASP H . 16981 1
940 . 1 1 79 79 ASP HA H 1 4.393 0.02 . 1 . . . . 79 ASP HA . 16981 1
941 . 1 1 79 79 ASP HB2 H 1 2.600 0.02 . 2 . . . . 79 ASP HB2 . 16981 1
942 . 1 1 79 79 ASP HB3 H 1 2.634 0.02 . 2 . . . . 79 ASP HB3 . 16981 1
943 . 1 1 79 79 ASP CA C 13 56.325 0.4 . 1 . . . . 79 ASP CA . 16981 1
944 . 1 1 79 79 ASP CB C 13 40.760 0.4 . 1 . . . . 79 ASP CB . 16981 1
945 . 1 1 79 79 ASP N N 15 120.637 0.4 . 1 . . . . 79 ASP N . 16981 1
946 . 1 1 80 80 ASN H H 1 8.241 0.02 . 1 . . . . 80 ASN H . 16981 1
947 . 1 1 80 80 ASN HA H 1 4.514 0.02 . 1 . . . . 80 ASN HA . 16981 1
948 . 1 1 80 80 ASN HB2 H 1 2.715 0.02 . 2 . . . . 80 ASN QB . 16981 1
949 . 1 1 80 80 ASN HB3 H 1 2.715 0.02 . 2 . . . . 80 ASN QB . 16981 1
950 . 1 1 80 80 ASN HD21 H 1 6.893 0.02 . 2 . . . . 80 ASN HD21 . 16981 1
951 . 1 1 80 80 ASN HD22 H 1 7.552 0.02 . 2 . . . . 80 ASN HD22 . 16981 1
952 . 1 1 80 80 ASN CA C 13 54.254 0.4 . 1 . . . . 80 ASN CA . 16981 1
953 . 1 1 80 80 ASN CB C 13 38.648 0.4 . 1 . . . . 80 ASN CB . 16981 1
954 . 1 1 80 80 ASN N N 15 117.418 0.4 . 1 . . . . 80 ASN N . 16981 1
955 . 1 1 80 80 ASN ND2 N 15 112.649 0.4 . 1 . . . . 80 ASN ND2 . 16981 1
956 . 1 1 81 81 ARG H H 1 7.735 0.02 . 1 . . . . 81 ARG H . 16981 1
957 . 1 1 81 81 ARG HA H 1 4.104 0.02 . 1 . . . . 81 ARG HA . 16981 1
958 . 1 1 81 81 ARG HB2 H 1 1.742 0.02 . 2 . . . . 81 ARG HB2 . 16981 1
959 . 1 1 81 81 ARG HB3 H 1 1.689 0.02 . 2 . . . . 81 ARG HB3 . 16981 1
960 . 1 1 81 81 ARG HD2 H 1 3.054 0.02 . 2 . . . . 81 ARG HD2 . 16981 1
961 . 1 1 81 81 ARG HD3 H 1 2.871 0.02 . 2 . . . . 81 ARG HD3 . 16981 1
962 . 1 1 81 81 ARG HG2 H 1 1.570 0.02 . 2 . . . . 81 ARG HG2 . 16981 1
963 . 1 1 81 81 ARG HG3 H 1 1.617 0.02 . 2 . . . . 81 ARG HG3 . 16981 1
964 . 1 1 81 81 ARG CA C 13 57.185 0.4 . 1 . . . . 81 ARG CA . 16981 1
965 . 1 1 81 81 ARG CB C 13 30.140 0.4 . 1 . . . . 81 ARG CB . 16981 1
966 . 1 1 81 81 ARG CD C 13 42.950 0.4 . 1 . . . . 81 ARG CD . 16981 1
967 . 1 1 81 81 ARG CG C 13 26.831 0.4 . 1 . . . . 81 ARG CG . 16981 1
968 . 1 1 81 81 ARG N N 15 119.147 0.4 . 1 . . . . 81 ARG N . 16981 1
969 . 1 1 82 82 ALA H H 1 7.959 0.02 . 1 . . . . 82 ALA H . 16981 1
970 . 1 1 82 82 ALA HA H 1 4.213 0.02 . 1 . . . . 82 ALA HA . 16981 1
971 . 1 1 82 82 ALA HB1 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1
972 . 1 1 82 82 ALA HB2 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1
973 . 1 1 82 82 ALA HB3 H 1 1.357 0.02 . 1 . . . . 82 ALA QB . 16981 1
974 . 1 1 82 82 ALA CA C 13 53.277 0.4 . 1 . . . . 82 ALA CA . 16981 1
975 . 1 1 82 82 ALA CB C 13 18.966 0.4 . 1 . . . . 82 ALA CB . 16981 1
976 . 1 1 82 82 ALA N N 15 122.884 0.4 . 1 . . . . 82 ALA N . 16981 1
977 . 1 1 83 83 THR H H 1 7.890 0.02 . 1 . . . . 83 THR H . 16981 1
978 . 1 1 83 83 THR HA H 1 4.226 0.02 . 1 . . . . 83 THR HA . 16981 1
979 . 1 1 83 83 THR HB H 1 4.175 0.02 . 1 . . . . 83 THR HB . 16981 1
980 . 1 1 83 83 THR HG21 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1
981 . 1 1 83 83 THR HG22 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1
982 . 1 1 83 83 THR HG23 H 1 1.129 0.02 . 1 . . . . 83 THR QG2 . 16981 1
983 . 1 1 83 83 THR CA C 13 62.147 0.4 . 1 . . . . 83 THR CA . 16981 1
984 . 1 1 83 83 THR CB C 13 69.991 0.4 . 1 . . . . 83 THR CB . 16981 1
985 . 1 1 83 83 THR CG2 C 13 21.634 0.4 . 1 . . . . 83 THR CG2 . 16981 1
986 . 1 1 83 83 THR N N 15 111.769 0.4 . 1 . . . . 83 THR N . 16981 1
987 . 1 1 84 84 LEU H H 1 7.938 0.02 . 1 . . . . 84 LEU H . 16981 1
988 . 1 1 84 84 LEU HA H 1 4.258 0.02 . 1 . . . . 84 LEU HA . 16981 1
989 . 1 1 84 84 LEU HB2 H 1 1.514 0.02 . 2 . . . . 84 LEU HB2 . 16981 1
990 . 1 1 84 84 LEU HB3 H 1 1.585 0.02 . 2 . . . . 84 LEU HB3 . 16981 1
991 . 1 1 84 84 LEU HD11 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1
992 . 1 1 84 84 LEU HD12 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1
993 . 1 1 84 84 LEU HD13 H 1 0.795 0.02 . 2 . . . . 84 LEU QD1 . 16981 1
994 . 1 1 84 84 LEU HD21 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1
995 . 1 1 84 84 LEU HD22 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1
996 . 1 1 84 84 LEU HD23 H 1 0.752 0.02 . 2 . . . . 84 LEU QD2 . 16981 1
997 . 1 1 84 84 LEU HG H 1 1.569 0.02 . 1 . . . . 84 LEU HG . 16981 1
998 . 1 1 84 84 LEU CA C 13 55.309 0.4 . 1 . . . . 84 LEU CA . 16981 1
999 . 1 1 84 84 LEU CB C 13 42.206 0.4 . 1 . . . . 84 LEU CB . 16981 1
1000 . 1 1 84 84 LEU CD1 C 13 25.100 0.4 . 2 . . . . 84 LEU CD1 . 16981 1
1001 . 1 1 84 84 LEU CD2 C 13 23.323 0.4 . 2 . . . . 84 LEU CD2 . 16981 1
1002 . 1 1 84 84 LEU CG C 13 26.788 0.4 . 1 . . . . 84 LEU CG . 16981 1
1003 . 1 1 84 84 LEU N N 15 124.247 0.4 . 1 . . . . 84 LEU N . 16981 1
1004 . 1 1 85 85 GLN H H 1 7.739 0.02 . 1 . . . . 85 GLN H . 16981 1
1005 . 1 1 85 85 GLN HA H 1 4.046 0.02 . 1 . . . . 85 GLN HA . 16981 1
1006 . 1 1 85 85 GLN HB2 H 1 2.019 0.02 . 2 . . . . 85 GLN HB2 . 16981 1
1007 . 1 1 85 85 GLN HB3 H 1 1.817 0.02 . 2 . . . . 85 GLN HB3 . 16981 1
1008 . 1 1 85 85 GLN HE21 H 1 7.430 0.02 . 2 . . . . 85 GLN HE21 . 16981 1
1009 . 1 1 85 85 GLN HE22 H 1 6.720 0.02 . 2 . . . . 85 GLN HE22 . 16981 1
1010 . 1 1 85 85 GLN HG2 H 1 2.221 0.02 . 2 . . . . 85 GLN QG . 16981 1
1011 . 1 1 85 85 GLN HG3 H 1 2.221 0.02 . 2 . . . . 85 GLN QG . 16981 1
1012 . 1 1 85 85 GLN CA C 13 57.263 0.4 . 1 . . . . 85 GLN CA . 16981 1
1013 . 1 1 85 85 GLN CB C 13 30.342 0.4 . 1 . . . . 85 GLN CB . 16981 1
1014 . 1 1 85 85 GLN CG C 13 34.170 0.4 . 1 . . . . 85 GLN CG . 16981 1
1015 . 1 1 85 85 GLN N N 15 125.453 0.4 . 1 . . . . 85 GLN N . 16981 1
1016 . 1 1 85 85 GLN NE2 N 15 112.438 0.4 . 1 . . . . 85 GLN NE2 . 16981 1
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