Content for NMR-STAR saveframe, "Lunasinox_pH65"
save_Lunasinox_pH65
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Lunasinox_pH65
_Assigned_chem_shift_list.Entry_ID 26825
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $pH65
_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
6 '2D 1H-15N HSQC' . . . 26825 2
7 '2D 1H-1H TOCSY' . . . 26825 2
8 '2D 1H-1H NOESY' . . . 26825 2
9 '3D 1H-15N NOESY' . . . 26825 2
10 '2D 1H-13C HSQC aliphatic' . . . 26825 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CARA . . 26825 2
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 SER HA H 1 4.169 0.020 . 1 . . . . 1 SER HA . 26825 2
2 . 1 1 1 1 SER HB2 H 1 3.907 0.020 . 2 . . . . 1 SER HB2 . 26825 2
3 . 1 1 1 1 SER HB3 H 1 3.862 0.020 . 2 . . . . 1 SER HB3 . 26825 2
4 . 1 1 1 1 SER CA C 13 57.233 0.3 . 1 . . . . 1 SER CA . 26825 2
5 . 1 1 1 1 SER CB C 13 63.541 0.3 . 1 . . . . 1 SER CB . 26825 2
6 . 1 1 2 2 LYS H H 1 8.200 0.020 . 1 . . . . 2 LYS H . 26825 2
7 . 1 1 2 2 LYS HA H 1 4.205 0.020 . 1 . . . . 2 LYS HA . 26825 2
8 . 1 1 2 2 LYS HB2 H 1 1.620 0.020 . 1 . . . . 2 LYS HB2 . 26825 2
9 . 1 1 2 2 LYS HB3 H 1 1.620 0.020 . 1 . . . . 2 LYS HB3 . 26825 2
10 . 1 1 2 2 LYS HG2 H 1 1.168 0.020 . 1 . . . . 2 LYS HG2 . 26825 2
11 . 1 1 2 2 LYS HG3 H 1 1.168 0.020 . 1 . . . . 2 LYS HG3 . 26825 2
12 . 1 1 2 2 LYS HD2 H 1 1.537 0.020 . 1 . . . . 2 LYS HD2 . 26825 2
13 . 1 1 2 2 LYS HD3 H 1 1.537 0.020 . 1 . . . . 2 LYS HD3 . 26825 2
14 . 1 1 2 2 LYS HE2 H 1 2.833 0.020 . 1 . . . . 2 LYS HE2 . 26825 2
15 . 1 1 2 2 LYS HE3 H 1 2.833 0.020 . 1 . . . . 2 LYS HE3 . 26825 2
16 . 1 1 2 2 LYS CA C 13 57.697 0.3 . 1 . . . . 2 LYS CA . 26825 2
17 . 1 1 2 2 LYS CB C 13 32.672 0.3 . 1 . . . . 2 LYS CB . 26825 2
18 . 1 1 2 2 LYS CG C 13 24.593 0.3 . 1 . . . . 2 LYS CG . 26825 2
19 . 1 1 2 2 LYS CD C 13 29.171 0.3 . 1 . . . . 2 LYS CD . 26825 2
20 . 1 1 2 2 LYS CE C 13 42.037 0.3 . 1 . . . . 2 LYS CE . 26825 2
21 . 1 1 3 3 TRP H H 1 8.265 0.020 . 1 . . . . 3 TRP H . 26825 2
22 . 1 1 3 3 TRP HA H 1 4.598 0.020 . 1 . . . . 3 TRP HA . 26825 2
23 . 1 1 3 3 TRP HB2 H 1 3.232 0.020 . 2 . . . . 3 TRP HB2 . 26825 2
24 . 1 1 3 3 TRP HB3 H 1 3.204 0.020 . 2 . . . . 3 TRP HB3 . 26825 2
25 . 1 1 3 3 TRP HD1 H 1 7.233 0.020 . 1 . . . . 3 TRP HD1 . 26825 2
26 . 1 1 3 3 TRP HE1 H 1 10.198 0.020 . 1 . . . . 3 TRP HE1 . 26825 2
27 . 1 1 3 3 TRP HE3 H 1 7.504 0.020 . 1 . . . . 3 TRP HE3 . 26825 2
28 . 1 1 3 3 TRP HZ2 H 1 7.435 0.020 . 1 . . . . 3 TRP HZ2 . 26825 2
29 . 1 1 3 3 TRP HZ3 H 1 7.066 0.020 . 1 . . . . 3 TRP HZ3 . 26825 2
30 . 1 1 3 3 TRP HH2 H 1 7.163 0.020 . 1 . . . . 3 TRP HH2 . 26825 2
31 . 1 1 3 3 TRP CA C 13 57.744 0.3 . 1 . . . . 3 TRP CA . 26825 2
32 . 1 1 3 3 TRP CB C 13 29.358 0.3 . 1 . . . . 3 TRP CB . 26825 2
33 . 1 1 3 3 TRP N N 15 120.707 0.3 . 1 . . . . 3 TRP N . 26825 2
34 . 1 1 3 3 TRP NE1 N 15 129.722 0.3 . 1 . . . . 3 TRP NE1 . 26825 2
35 . 1 1 4 4 GLN H H 1 8.016 0.020 . 1 . . . . 4 GLN H . 26825 2
36 . 1 1 4 4 GLN HA H 1 4.039 0.020 . 1 . . . . 4 GLN HA . 26825 2
37 . 1 1 4 4 GLN HB2 H 1 1.886 0.020 . 2 . . . . 4 GLN HB2 . 26825 2
38 . 1 1 4 4 GLN HB3 H 1 1.813 0.020 . 2 . . . . 4 GLN HB3 . 26825 2
39 . 1 1 4 4 GLN HG2 H 1 2.089 0.020 . 2 . . . . 4 GLN HG2 . 26825 2
40 . 1 1 4 4 GLN HG3 H 1 2.008 0.020 . 2 . . . . 4 GLN HG3 . 26825 2
41 . 1 1 4 4 GLN HE21 H 1 7.449 0.020 . 1 . . . . 4 GLN HE21 . 26825 2
42 . 1 1 4 4 GLN HE22 H 1 6.828 0.020 . 1 . . . . 4 GLN HE22 . 26825 2
43 . 1 1 4 4 GLN CA C 13 56.776 0.3 . 1 . . . . 4 GLN CA . 26825 2
44 . 1 1 4 4 GLN CB C 13 29.176 0.3 . 1 . . . . 4 GLN CB . 26825 2
45 . 1 1 4 4 GLN CG C 13 33.670 0.3 . 1 . . . . 4 GLN CG . 26825 2
46 . 1 1 4 4 GLN N N 15 120.691 0.3 . 1 . . . . 4 GLN N . 26825 2
47 . 1 1 4 4 GLN NE2 N 15 112.609 0.3 . 1 . . . . 4 GLN NE2 . 26825 2
48 . 1 1 5 5 HIS H H 1 8.171 0.020 . 1 . . . . 5 HIS H . 26825 2
49 . 1 1 5 5 HIS HA H 1 4.563 0.020 . 1 . . . . 5 HIS HA . 26825 2
50 . 1 1 5 5 HIS HB2 H 1 3.212 0.020 . 2 . . . . 5 HIS HB2 . 26825 2
51 . 1 1 5 5 HIS HB3 H 1 3.128 0.020 . 2 . . . . 5 HIS HB3 . 26825 2
52 . 1 1 5 5 HIS HD2 H 1 7.129 0.020 . 1 . . . . 5 HIS HD2 . 26825 2
53 . 1 1 5 5 HIS HE1 H 1 8.231 0.020 . 1 . . . . 5 HIS HE1 . 26825 2
54 . 1 1 5 5 HIS CA C 13 56.292 0.3 . 1 . . . . 5 HIS CA . 26825 2
55 . 1 1 5 5 HIS CB C 13 29.414 0.3 . 1 . . . . 5 HIS CB . 26825 2
56 . 1 1 5 5 HIS N N 15 118.804 0.3 . 1 . . . . 5 HIS N . 26825 2
57 . 1 1 6 6 GLN H H 1 8.325 0.020 . 1 . . . . 6 GLN H . 26825 2
58 . 1 1 6 6 GLN HA H 1 4.235 0.020 . 1 . . . . 6 GLN HA . 26825 2
59 . 1 1 6 6 GLN HB2 H 1 2.070 0.020 . 2 . . . . 6 GLN HB2 . 26825 2
60 . 1 1 6 6 GLN HB3 H 1 1.991 0.020 . 2 . . . . 6 GLN HB3 . 26825 2
61 . 1 1 6 6 GLN HG2 H 1 2.331 0.020 . 1 . . . . 6 GLN HG2 . 26825 2
62 . 1 1 6 6 GLN HG3 H 1 2.331 0.020 . 1 . . . . 6 GLN HG3 . 26825 2
63 . 1 1 6 6 GLN HE21 H 1 7.503 0.020 . 1 . . . . 6 GLN HE21 . 26825 2
64 . 1 1 6 6 GLN HE22 H 1 6.851 0.020 . 1 . . . . 6 GLN HE22 . 26825 2
65 . 1 1 6 6 GLN CA C 13 56.804 0.3 . 1 . . . . 6 GLN CA . 26825 2
66 . 1 1 6 6 GLN CB C 13 29.214 0.3 . 1 . . . . 6 GLN CB . 26825 2
67 . 1 1 6 6 GLN CG C 13 33.764 0.3 . 1 . . . . 6 GLN CG . 26825 2
68 . 1 1 6 6 GLN N N 15 120.927 0.3 . 1 . . . . 6 GLN N . 26825 2
69 . 1 1 6 6 GLN NE2 N 15 112.306 0.3 . 1 . . . . 6 GLN NE2 . 26825 2
70 . 1 1 7 7 GLN H H 1 8.432 0.020 . 1 . . . . 7 GLN H . 26825 2
71 . 1 1 7 7 GLN HA H 1 4.189 0.020 . 1 . . . . 7 GLN HA . 26825 2
72 . 1 1 7 7 GLN HB2 H 1 2.063 0.020 . 2 . . . . 7 GLN HB2 . 26825 2
73 . 1 1 7 7 GLN HB3 H 1 1.937 0.020 . 2 . . . . 7 GLN HB3 . 26825 2
74 . 1 1 7 7 GLN HG2 H 1 2.247 0.020 . 1 . . . . 7 GLN HG2 . 26825 2
75 . 1 1 7 7 GLN HG3 H 1 2.247 0.020 . 1 . . . . 7 GLN HG3 . 26825 2
76 . 1 1 7 7 GLN HE21 H 1 7.397 0.020 . 1 . . . . 7 GLN HE21 . 26825 2
77 . 1 1 7 7 GLN HE22 H 1 6.835 0.020 . 1 . . . . 7 GLN HE22 . 26825 2
78 . 1 1 7 7 GLN CA C 13 56.797 0.3 . 1 . . . . 7 GLN CA . 26825 2
79 . 1 1 7 7 GLN CB C 13 29.349 0.3 . 1 . . . . 7 GLN CB . 26825 2
80 . 1 1 7 7 GLN CG C 13 33.817 0.3 . 1 . . . . 7 GLN CG . 26825 2
81 . 1 1 7 7 GLN N N 15 120.663 0.3 . 1 . . . . 7 GLN N . 26825 2
82 . 1 1 7 7 GLN NE2 N 15 112.349 0.3 . 1 . . . . 7 GLN NE2 . 26825 2
83 . 1 1 8 8 ASP H H 1 8.340 0.020 . 1 . . . . 8 ASP H . 26825 2
84 . 1 1 8 8 ASP HA H 1 4.533 0.020 . 1 . . . . 8 ASP HA . 26825 2
85 . 1 1 8 8 ASP HB2 H 1 2.684 0.020 . 1 . . . . 8 ASP HB2 . 26825 2
86 . 1 1 8 8 ASP HB3 H 1 2.684 0.020 . 1 . . . . 8 ASP HB3 . 26825 2
87 . 1 1 8 8 ASP CA C 13 55.278 0.3 . 1 . . . . 8 ASP CA . 26825 2
88 . 1 1 8 8 ASP CB C 13 41.373 0.3 . 1 . . . . 8 ASP CB . 26825 2
89 . 1 1 8 8 ASP N N 15 121.003 0.3 . 1 . . . . 8 ASP N . 26825 2
90 . 1 1 9 9 SER H H 1 8.231 0.020 . 1 . . . . 9 SER H . 26825 2
91 . 1 1 9 9 SER HA H 1 4.299 0.020 . 1 . . . . 9 SER HA . 26825 2
92 . 1 1 9 9 SER HB2 H 1 3.917 0.020 . 2 . . . . 9 SER HB2 . 26825 2
93 . 1 1 9 9 SER HB3 H 1 3.856 0.020 . 2 . . . . 9 SER HB3 . 26825 2
94 . 1 1 9 9 SER CA C 13 59.749 0.3 . 1 . . . . 9 SER CA . 26825 2
95 . 1 1 9 9 SER CB C 13 63.621 0.3 . 1 . . . . 9 SER CB . 26825 2
96 . 1 1 9 9 SER N N 15 115.862 0.3 . 1 . . . . 9 SER N . 26825 2
97 . 1 1 10 10 CYS H H 1 8.373 0.020 . 1 . . . . 10 CYS H . 26825 2
98 . 1 1 10 10 CYS HA H 1 4.582 0.020 . 1 . . . . 10 CYS HA . 26825 2
99 . 1 1 10 10 CYS HB2 H 1 3.209 0.020 . 2 . . . . 10 CYS HB2 . 26825 2
100 . 1 1 10 10 CYS HB3 H 1 3.093 0.020 . 2 . . . . 10 CYS HB3 . 26825 2
101 . 1 1 10 10 CYS CB C 13 40.659 0.3 . 1 . . . . 10 CYS CB . 26825 2
102 . 1 1 10 10 CYS N N 15 120.053 0.3 . 1 . . . . 10 CYS N . 26825 2
103 . 1 1 11 11 ARG H H 1 8.145 0.020 . 1 . . . . 11 ARG H . 26825 2
104 . 1 1 11 11 ARG HA H 1 4.229 0.020 . 1 . . . . 11 ARG HA . 26825 2
105 . 1 1 11 11 ARG HB2 H 1 1.791 0.020 . 2 . . . . 11 ARG HB2 . 26825 2
106 . 1 1 11 11 ARG HB3 H 1 1.861 0.020 . 2 . . . . 11 ARG HB3 . 26825 2
107 . 1 1 11 11 ARG HG2 H 1 1.619 0.020 . 1 . . . . 11 ARG HG2 . 26825 2
108 . 1 1 11 11 ARG HG3 H 1 1.619 0.020 . 1 . . . . 11 ARG HG3 . 26825 2
109 . 1 1 11 11 ARG HD2 H 1 3.149 0.020 . 1 . . . . 11 ARG HD2 . 26825 2
110 . 1 1 11 11 ARG HD3 H 1 3.149 0.020 . 1 . . . . 11 ARG HD3 . 26825 2
111 . 1 1 11 11 ARG HE H 1 7.287 0.020 . 1 . . . . 11 ARG HE . 26825 2
112 . 1 1 11 11 ARG CA C 13 56.693 0.3 . 1 . . . . 11 ARG CA . 26825 2
113 . 1 1 11 11 ARG CB C 13 30.643 0.3 . 1 . . . . 11 ARG CB . 26825 2
114 . 1 1 11 11 ARG CG C 13 27.096 0.3 . 1 . . . . 11 ARG CG . 26825 2
115 . 1 1 11 11 ARG CD C 13 43.390 0.3 . 1 . . . . 11 ARG CD . 26825 2
116 . 1 1 11 11 ARG N N 15 121.305 0.3 . 1 . . . . 11 ARG N . 26825 2
117 . 1 1 11 11 ARG NE N 15 84.587 0.3 . 1 . . . . 11 ARG NE . 26825 2
118 . 1 1 12 12 LYS H H 1 8.069 0.020 . 1 . . . . 12 LYS H . 26825 2
119 . 1 1 12 12 LYS HA H 1 4.216 0.020 . 1 . . . . 12 LYS HA . 26825 2
120 . 1 1 12 12 LYS HB2 H 1 1.823 0.020 . 2 . . . . 12 LYS HB2 . 26825 2
121 . 1 1 12 12 LYS HB3 H 1 1.759 0.020 . 2 . . . . 12 LYS HB3 . 26825 2
122 . 1 1 12 12 LYS HG2 H 1 1.441 0.020 . 2 . . . . 12 LYS HG2 . 26825 2
123 . 1 1 12 12 LYS HG3 H 1 1.369 0.020 . 2 . . . . 12 LYS HG3 . 26825 2
124 . 1 1 12 12 LYS HD2 H 1 1.646 0.020 . 1 . . . . 12 LYS HD2 . 26825 2
125 . 1 1 12 12 LYS HD3 H 1 1.646 0.020 . 1 . . . . 12 LYS HD3 . 26825 2
126 . 1 1 12 12 LYS HE2 H 1 2.947 0.020 . 1 . . . . 12 LYS HE2 . 26825 2
127 . 1 1 12 12 LYS HE3 H 1 2.947 0.020 . 1 . . . . 12 LYS HE3 . 26825 2
128 . 1 1 12 12 LYS CA C 13 56.957 0.3 . 1 . . . . 12 LYS CA . 26825 2
129 . 1 1 12 12 LYS CB C 13 32.835 0.3 . 1 . . . . 12 LYS CB . 26825 2
130 . 1 1 12 12 LYS CG C 13 25.105 0.3 . 1 . . . . 12 LYS CG . 26825 2
131 . 1 1 12 12 LYS CD C 13 29.196 0.3 . 1 . . . . 12 LYS CD . 26825 2
132 . 1 1 12 12 LYS CE C 13 42.108 0.3 . 1 . . . . 12 LYS CE . 26825 2
133 . 1 1 12 12 LYS N N 15 120.496 0.3 . 1 . . . . 12 LYS N . 26825 2
134 . 1 1 13 13 GLN H H 1 8.168 0.020 . 1 . . . . 13 GLN H . 26825 2
135 . 1 1 13 13 GLN HA H 1 4.303 0.020 . 1 . . . . 13 GLN HA . 26825 2
136 . 1 1 13 13 GLN HB2 H 1 2.099 0.020 . 2 . . . . 13 GLN HB2 . 26825 2
137 . 1 1 13 13 GLN HB3 H 1 1.994 0.020 . 2 . . . . 13 GLN HB3 . 26825 2
138 . 1 1 13 13 GLN HG2 H 1 2.348 0.020 . 1 . . . . 13 GLN HG2 . 26825 2
139 . 1 1 13 13 GLN HG3 H 1 2.348 0.020 . 1 . . . . 13 GLN HG3 . 26825 2
140 . 1 1 13 13 GLN HE21 H 1 7.493 0.020 . 1 . . . . 13 GLN HE21 . 26825 2
141 . 1 1 13 13 GLN HE22 H 1 6.851 0.020 . 1 . . . . 13 GLN HE22 . 26825 2
142 . 1 1 13 13 GLN CA C 13 56.168 0.3 . 1 . . . . 13 GLN CA . 26825 2
143 . 1 1 13 13 GLN CB C 13 29.307 0.3 . 1 . . . . 13 GLN CB . 26825 2
144 . 1 1 13 13 GLN CG C 13 33.857 0.3 . 1 . . . . 13 GLN CG . 26825 2
145 . 1 1 13 13 GLN N N 15 120.219 0.3 . 1 . . . . 13 GLN N . 26825 2
146 . 1 1 13 13 GLN NE2 N 15 112.307 0.3 . 1 . . . . 13 GLN NE2 . 26825 2
147 . 1 1 14 14 LEU H H 1 8.181 0.020 . 1 . . . . 14 LEU H . 26825 2
148 . 1 1 14 14 LEU HA H 1 4.331 0.020 . 1 . . . . 14 LEU HA . 26825 2
149 . 1 1 14 14 LEU HB2 H 1 1.633 0.020 . 2 . . . . 14 LEU HB2 . 26825 2
150 . 1 1 14 14 LEU HB3 H 1 1.568 0.020 . 2 . . . . 14 LEU HB3 . 26825 2
151 . 1 1 14 14 LEU HG H 1 1.585 0.020 . 1 . . . . 14 LEU HG . 26825 2
152 . 1 1 14 14 LEU HD11 H 1 0.905 0.020 . 2 . . . . 14 LEU QD1 . 26825 2
153 . 1 1 14 14 LEU HD12 H 1 0.905 0.020 . 2 . . . . 14 LEU QD1 . 26825 2
154 . 1 1 14 14 LEU HD13 H 1 0.905 0.020 . 2 . . . . 14 LEU QD1 . 26825 2
155 . 1 1 14 14 LEU HD21 H 1 0.851 0.020 . 2 . . . . 14 LEU QD2 . 26825 2
156 . 1 1 14 14 LEU HD22 H 1 0.851 0.020 . 2 . . . . 14 LEU QD2 . 26825 2
157 . 1 1 14 14 LEU HD23 H 1 0.851 0.020 . 2 . . . . 14 LEU QD2 . 26825 2
158 . 1 1 14 14 LEU CA C 13 55.377 0.3 . 1 . . . . 14 LEU CA . 26825 2
159 . 1 1 14 14 LEU CB C 13 42.480 0.3 . 1 . . . . 14 LEU CB . 26825 2
160 . 1 1 14 14 LEU CG C 13 26.997 0.3 . 1 . . . . 14 LEU CG . 26825 2
161 . 1 1 14 14 LEU CD1 C 13 25.146 0.3 . 1 . . . . 14 LEU CD1 . 26825 2
162 . 1 1 14 14 LEU CD2 C 13 23.461 0.3 . 1 . . . . 14 LEU CD2 . 26825 2
163 . 1 1 14 14 LEU N N 15 122.648 0.3 . 1 . . . . 14 LEU N . 26825 2
164 . 1 1 15 15 GLN H H 1 8.279 0.020 . 1 . . . . 15 GLN H . 26825 2
165 . 1 1 15 15 GLN HA H 1 4.310 0.020 . 1 . . . . 15 GLN HA . 26825 2
166 . 1 1 15 15 GLN HB2 H 1 2.110 0.020 . 2 . . . . 15 GLN HB2 . 26825 2
167 . 1 1 15 15 GLN HB3 H 1 1.988 0.020 . 2 . . . . 15 GLN HB3 . 26825 2
168 . 1 1 15 15 GLN HG2 H 1 2.349 0.020 . 1 . . . . 15 GLN HG2 . 26825 2
169 . 1 1 15 15 GLN HG3 H 1 2.349 0.020 . 1 . . . . 15 GLN HG3 . 26825 2
170 . 1 1 15 15 GLN HE21 H 1 7.502 0.020 . 1 . . . . 15 GLN HE21 . 26825 2
171 . 1 1 15 15 GLN HE22 H 1 6.847 0.020 . 1 . . . . 15 GLN HE22 . 26825 2
172 . 1 1 15 15 GLN CA C 13 56.115 0.3 . 1 . . . . 15 GLN CA . 26825 2
173 . 1 1 15 15 GLN CB C 13 29.362 0.3 . 1 . . . . 15 GLN CB . 26825 2
174 . 1 1 15 15 GLN CG C 13 33.898 0.3 . 1 . . . . 15 GLN CG . 26825 2
175 . 1 1 15 15 GLN N N 15 119.978 0.3 . 1 . . . . 15 GLN N . 26825 2
176 . 1 1 15 15 GLN NE2 N 15 112.165 0.3 . 1 . . . . 15 GLN NE2 . 26825 2
177 . 1 1 16 16 GLY H H 1 8.366 0.020 . 1 . . . . 16 GLY H . 26825 2
178 . 1 1 16 16 GLY HA2 H 1 3.878 0.020 . 2 . . . . 16 GLY HA2 . 26825 2
179 . 1 1 16 16 GLY HA3 H 1 4.037 0.020 . 2 . . . . 16 GLY HA3 . 26825 2
180 . 1 1 16 16 GLY CA C 13 45.361 0.3 . 1 . . . . 16 GLY CA . 26825 2
181 . 1 1 16 16 GLY N N 15 110.066 0.3 . 1 . . . . 16 GLY N . 26825 2
182 . 1 1 17 17 VAL H H 1 7.961 0.020 . 1 . . . . 17 VAL H . 26825 2
183 . 1 1 17 17 VAL HA H 1 4.132 0.020 . 1 . . . . 17 VAL HA . 26825 2
184 . 1 1 17 17 VAL HB H 1 2.084 0.020 . 1 . . . . 17 VAL HB . 26825 2
185 . 1 1 17 17 VAL HG11 H 1 0.897 0.020 . 2 . . . . 17 VAL QG1 . 26825 2
186 . 1 1 17 17 VAL HG12 H 1 0.897 0.020 . 2 . . . . 17 VAL QG1 . 26825 2
187 . 1 1 17 17 VAL HG13 H 1 0.897 0.020 . 2 . . . . 17 VAL QG1 . 26825 2
188 . 1 1 17 17 VAL HG21 H 1 0.875 0.020 . 2 . . . . 17 VAL QG2 . 26825 2
189 . 1 1 17 17 VAL HG22 H 1 0.875 0.020 . 2 . . . . 17 VAL QG2 . 26825 2
190 . 1 1 17 17 VAL HG23 H 1 0.875 0.020 . 2 . . . . 17 VAL QG2 . 26825 2
191 . 1 1 17 17 VAL CA C 13 62.337 0.3 . 1 . . . . 17 VAL CA . 26825 2
192 . 1 1 17 17 VAL CB C 13 32.779 0.3 . 1 . . . . 17 VAL CB . 26825 2
193 . 1 1 17 17 VAL CG1 C 13 21.136 0.3 . 1 . . . . 17 VAL CG1 . 26825 2
194 . 1 1 17 17 VAL CG2 C 13 20.252 0.3 . 1 . . . . 17 VAL CG2 . 26825 2
195 . 1 1 17 17 VAL N N 15 118.277 0.3 . 1 . . . . 17 VAL N . 26825 2
196 . 1 1 18 18 ASN H H 1 8.427 0.020 . 1 . . . . 18 ASN H . 26825 2
197 . 1 1 18 18 ASN HA H 1 4.688 0.020 . 1 . . . . 18 ASN HA . 26825 2
198 . 1 1 18 18 ASN HB2 H 1 2.722 0.020 . 2 . . . . 18 ASN HB2 . 26825 2
199 . 1 1 18 18 ASN HB3 H 1 2.832 0.020 . 2 . . . . 18 ASN HB3 . 26825 2
200 . 1 1 18 18 ASN HD21 H 1 7.589 0.020 . 1 . . . . 18 ASN HD21 . 26825 2
201 . 1 1 18 18 ASN HD22 H 1 6.916 0.020 . 1 . . . . 18 ASN HD22 . 26825 2
202 . 1 1 18 18 ASN CA C 13 54.319 0.3 . 1 . . . . 18 ASN CA . 26825 2
203 . 1 1 18 18 ASN CB C 13 38.879 0.3 . 1 . . . . 18 ASN CB . 26825 2
204 . 1 1 18 18 ASN N N 15 121.139 0.3 . 1 . . . . 18 ASN N . 26825 2
205 . 1 1 18 18 ASN ND2 N 15 113.118 0.3 . 1 . . . . 18 ASN ND2 . 26825 2
206 . 1 1 19 19 LEU H H 1 8.292 0.020 . 1 . . . . 19 LEU H . 26825 2
207 . 1 1 19 19 LEU HA H 1 4.358 0.020 . 1 . . . . 19 LEU HA . 26825 2
208 . 1 1 19 19 LEU HB2 H 1 1.635 0.020 . 2 . . . . 19 LEU HB2 . 26825 2
209 . 1 1 19 19 LEU HB3 H 1 1.556 0.020 . 2 . . . . 19 LEU HB3 . 26825 2
210 . 1 1 19 19 LEU HG H 1 1.571 0.020 . 1 . . . . 19 LEU HG . 26825 2
211 . 1 1 19 19 LEU HD11 H 1 0.861 0.020 . 2 . . . . 19 LEU QD1 . 26825 2
212 . 1 1 19 19 LEU HD12 H 1 0.861 0.020 . 2 . . . . 19 LEU QD1 . 26825 2
213 . 1 1 19 19 LEU HD13 H 1 0.861 0.020 . 2 . . . . 19 LEU QD1 . 26825 2
214 . 1 1 19 19 LEU HD21 H 1 0.809 0.020 . 2 . . . . 19 LEU QD2 . 26825 2
215 . 1 1 19 19 LEU HD22 H 1 0.809 0.020 . 2 . . . . 19 LEU QD2 . 26825 2
216 . 1 1 19 19 LEU HD23 H 1 0.809 0.020 . 2 . . . . 19 LEU QD2 . 26825 2
217 . 1 1 19 19 LEU CA C 13 55.333 0.3 . 1 . . . . 19 LEU CA . 26825 2
218 . 1 1 19 19 LEU CB C 13 42.460 0.3 . 1 . . . . 19 LEU CB . 26825 2
219 . 1 1 19 19 LEU CG C 13 26.967 0.3 . 1 . . . . 19 LEU CG . 26825 2
220 . 1 1 19 19 LEU CD1 C 13 25.214 0.3 . 1 . . . . 19 LEU CD1 . 26825 2
221 . 1 1 19 19 LEU CD2 C 13 23.385 0.3 . 1 . . . . 19 LEU CD2 . 26825 2
222 . 1 1 19 19 LEU N N 15 122.514 0.3 . 1 . . . . 19 LEU N . 26825 2
223 . 1 1 20 20 THR H H 1 8.174 0.020 . 1 . . . . 20 THR H . 26825 2
224 . 1 1 20 20 THR HA H 1 4.533 0.020 . 1 . . . . 20 THR HA . 26825 2
225 . 1 1 20 20 THR HB H 1 4.184 0.020 . 1 . . . . 20 THR HB . 26825 2
226 . 1 1 20 20 THR HG21 H 1 1.219 0.020 . 1 . . . . 20 THR QG2 . 26825 2
227 . 1 1 20 20 THR HG22 H 1 1.219 0.020 . 1 . . . . 20 THR QG2 . 26825 2
228 . 1 1 20 20 THR HG23 H 1 1.219 0.020 . 1 . . . . 20 THR QG2 . 26825 2
229 . 1 1 20 20 THR CA C 13 60.629 0.3 . 1 . . . . 20 THR CA . 26825 2
230 . 1 1 20 20 THR CB C 13 69.547 0.3 . 1 . . . . 20 THR CB . 26825 2
231 . 1 1 20 20 THR CG2 C 13 21.633 0.3 . 1 . . . . 20 THR CG2 . 26825 2
232 . 1 1 20 20 THR N N 15 116.787 0.3 . 1 . . . . 20 THR N . 26825 2
233 . 1 1 21 21 PRO HA H 1 4.390 0.020 . 1 . . . . 21 PRO HA . 26825 2
234 . 1 1 21 21 PRO HB2 H 1 2.284 0.020 . 2 . . . . 21 PRO HB2 . 26825 2
235 . 1 1 21 21 PRO HB3 H 1 1.865 0.020 . 2 . . . . 21 PRO HB3 . 26825 2
236 . 1 1 21 21 PRO HG2 H 1 1.949 0.020 . 2 . . . . 21 PRO HG2 . 26825 2
237 . 1 1 21 21 PRO HG3 H 1 2.023 0.020 . 2 . . . . 21 PRO HG3 . 26825 2
238 . 1 1 21 21 PRO HD2 H 1 3.651 0.020 . 2 . . . . 21 PRO HD2 . 26825 2
239 . 1 1 21 21 PRO HD3 H 1 3.797 0.020 . 2 . . . . 21 PRO HD3 . 26825 2
240 . 1 1 21 21 PRO CA C 13 63.673 0.3 . 1 . . . . 21 PRO CA . 26825 2
241 . 1 1 21 21 PRO CB C 13 32.101 0.3 . 1 . . . . 21 PRO CB . 26825 2
242 . 1 1 21 21 PRO CG C 13 27.646 0.3 . 1 . . . . 21 PRO CG . 26825 2
243 . 1 1 21 21 PRO CD C 13 50.994 0.3 . 1 . . . . 21 PRO CD . 26825 2
244 . 1 1 22 22 CYS H H 1 8.434 0.020 . 1 . . . . 22 CYS H . 26825 2
245 . 1 1 22 22 CYS HA H 1 4.563 0.020 . 1 . . . . 22 CYS HA . 26825 2
246 . 1 1 22 22 CYS HB2 H 1 3.152 0.020 . 2 . . . . 22 CYS HB2 . 26825 2
247 . 1 1 22 22 CYS HB3 H 1 3.023 0.020 . 2 . . . . 22 CYS HB3 . 26825 2
248 . 1 1 22 22 CYS CB C 13 41.054 0.3 . 1 . . . . 22 CYS CB . 26825 2
249 . 1 1 22 22 CYS N N 15 119.217 0.3 . 1 . . . . 22 CYS N . 26825 2
250 . 1 1 23 23 GLU H H 1 8.494 0.020 . 1 . . . . 23 GLU H . 26825 2
251 . 1 1 23 23 GLU HA H 1 4.218 0.020 . 1 . . . . 23 GLU HA . 26825 2
252 . 1 1 23 23 GLU HB2 H 1 1.998 0.020 . 2 . . . . 23 GLU HB2 . 26825 2
253 . 1 1 23 23 GLU HB3 H 1 1.915 0.020 . 2 . . . . 23 GLU HB3 . 26825 2
254 . 1 1 23 23 GLU HG2 H 1 2.250 0.020 . 1 . . . . 23 GLU HG2 . 26825 2
255 . 1 1 23 23 GLU HG3 H 1 2.250 0.020 . 1 . . . . 23 GLU HG3 . 26825 2
256 . 1 1 23 23 GLU CA C 13 57.011 0.3 . 1 . . . . 23 GLU CA . 26825 2
257 . 1 1 23 23 GLU CB C 13 30.367 0.3 . 1 . . . . 23 GLU CB . 26825 2
258 . 1 1 23 23 GLU CG C 13 36.359 0.3 . 1 . . . . 23 GLU CG . 26825 2
259 . 1 1 23 23 GLU N N 15 123.517 0.3 . 1 . . . . 23 GLU N . 26825 2
260 . 1 1 24 24 LYS H H 1 8.288 0.020 . 1 . . . . 24 LYS H . 26825 2
261 . 1 1 24 24 LYS HA H 1 4.156 0.020 . 1 . . . . 24 LYS HA . 26825 2
262 . 1 1 24 24 LYS HB2 H 1 1.698 0.020 . 2 . . . . 24 LYS HB2 . 26825 2
263 . 1 1 24 24 LYS HB3 H 1 1.674 0.020 . 2 . . . . 24 LYS HB3 . 26825 2
264 . 1 1 24 24 LYS HG2 H 1 1.346 0.020 . 2 . . . . 24 LYS HG2 . 26825 2
265 . 1 1 24 24 LYS HG3 H 1 1.291 0.020 . 2 . . . . 24 LYS HG3 . 26825 2
266 . 1 1 24 24 LYS HD2 H 1 1.599 0.020 . 1 . . . . 24 LYS HD2 . 26825 2
267 . 1 1 24 24 LYS HD3 H 1 1.599 0.020 . 1 . . . . 24 LYS HD3 . 26825 2
268 . 1 1 24 24 LYS HE2 H 1 2.911 0.020 . 1 . . . . 24 LYS HE2 . 26825 2
269 . 1 1 24 24 LYS HE3 H 1 2.911 0.020 . 1 . . . . 24 LYS HE3 . 26825 2
270 . 1 1 24 24 LYS CA C 13 57.050 0.3 . 1 . . . . 24 LYS CA . 26825 2
271 . 1 1 24 24 LYS CB C 13 33.107 0.3 . 1 . . . . 24 LYS CB . 26825 2
272 . 1 1 24 24 LYS CG C 13 24.817 0.3 . 1 . . . . 24 LYS CG . 26825 2
273 . 1 1 24 24 LYS CD C 13 29.171 0.3 . 1 . . . . 24 LYS CD . 26825 2
274 . 1 1 24 24 LYS CE C 13 42.082 0.3 . 1 . . . . 24 LYS CE . 26825 2
275 . 1 1 24 24 LYS N N 15 122.217 0.3 . 1 . . . . 24 LYS N . 26825 2
276 . 1 1 25 25 HIS H H 1 8.433 0.020 . 1 . . . . 25 HIS H . 26825 2
277 . 1 1 25 25 HIS HA H 1 4.602 0.020 . 1 . . . . 25 HIS HA . 26825 2
278 . 1 1 25 25 HIS HB2 H 1 3.132 0.020 . 2 . . . . 25 HIS HB2 . 26825 2
279 . 1 1 25 25 HIS HB3 H 1 3.088 0.020 . 2 . . . . 25 HIS HB3 . 26825 2
280 . 1 1 25 25 HIS HD2 H 1 7.081 0.020 . 1 . . . . 25 HIS HD2 . 26825 2
281 . 1 1 25 25 HIS HE1 H 1 8.211 0.020 . 1 . . . . 25 HIS HE1 . 26825 2
282 . 1 1 25 25 HIS CA C 13 56.060 0.3 . 1 . . . . 25 HIS CA . 26825 2
283 . 1 1 25 25 HIS CB C 13 29.455 0.3 . 1 . . . . 25 HIS CB . 26825 2
284 . 1 1 25 25 HIS N N 15 119.711 0.3 . 1 . . . . 25 HIS N . 26825 2
285 . 1 1 26 26 ILE H H 1 7.991 0.020 . 1 . . . . 26 ILE H . 26825 2
286 . 1 1 26 26 ILE HA H 1 4.024 0.020 . 1 . . . . 26 ILE HA . 26825 2
287 . 1 1 26 26 ILE HB H 1 1.826 0.020 . 1 . . . . 26 ILE HB . 26825 2
288 . 1 1 26 26 ILE HG12 H 1 1.398 0.020 . 2 . . . . 26 ILE HG12 . 26825 2
289 . 1 1 26 26 ILE HG13 H 1 1.106 0.020 . 2 . . . . 26 ILE HG13 . 26825 2
290 . 1 1 26 26 ILE HG21 H 1 0.854 0.020 . 1 . . . . 26 ILE QG2 . 26825 2
291 . 1 1 26 26 ILE HG22 H 1 0.854 0.020 . 1 . . . . 26 ILE QG2 . 26825 2
292 . 1 1 26 26 ILE HG23 H 1 0.854 0.020 . 1 . . . . 26 ILE QG2 . 26825 2
293 . 1 1 26 26 ILE HD11 H 1 0.806 0.020 . 1 . . . . 26 ILE QD1 . 26825 2
294 . 1 1 26 26 ILE HD12 H 1 0.806 0.020 . 1 . . . . 26 ILE QD1 . 26825 2
295 . 1 1 26 26 ILE HD13 H 1 0.806 0.020 . 1 . . . . 26 ILE QD1 . 26825 2
296 . 1 1 26 26 ILE CA C 13 61.729 0.3 . 1 . . . . 26 ILE CA . 26825 2
297 . 1 1 26 26 ILE CB C 13 38.449 0.3 . 1 . . . . 26 ILE CB . 26825 2
298 . 1 1 26 26 ILE CG1 C 13 27.511 0.3 . 1 . . . . 26 ILE CG1 . 26825 2
299 . 1 1 26 26 ILE CG2 C 13 17.552 0.3 . 1 . . . . 26 ILE CG2 . 26825 2
300 . 1 1 26 26 ILE CD1 C 13 12.869 0.3 . 1 . . . . 26 ILE CD1 . 26825 2
301 . 1 1 26 26 ILE N N 15 122.040 0.3 . 1 . . . . 26 ILE N . 26825 2
302 . 1 1 27 27 MET H H 1 8.320 0.020 . 1 . . . . 27 MET H . 26825 2
303 . 1 1 27 27 MET HA H 1 4.400 0.020 . 1 . . . . 27 MET HA . 26825 2
304 . 1 1 27 27 MET HB2 H 1 2.049 0.020 . 2 . . . . 27 MET HB2 . 26825 2
305 . 1 1 27 27 MET HB3 H 1 1.978 0.020 . 2 . . . . 27 MET HB3 . 26825 2
306 . 1 1 27 27 MET HG2 H 1 2.568 0.020 . 2 . . . . 27 MET HG2 . 26825 2
307 . 1 1 27 27 MET HG3 H 1 2.484 0.020 . 2 . . . . 27 MET HG3 . 26825 2
308 . 1 1 27 27 MET HE1 H 1 2.060 0.020 . 1 . . . . 27 MET QE . 26825 2
309 . 1 1 27 27 MET HE2 H 1 2.060 0.020 . 1 . . . . 27 MET QE . 26825 2
310 . 1 1 27 27 MET HE3 H 1 2.060 0.020 . 1 . . . . 27 MET QE . 26825 2
311 . 1 1 27 27 MET CA C 13 55.830 0.3 . 1 . . . . 27 MET CA . 26825 2
312 . 1 1 27 27 MET CB C 13 32.747 0.3 . 1 . . . . 27 MET CB . 26825 2
313 . 1 1 27 27 MET CG C 13 32.068 0.3 . 1 . . . . 27 MET CG . 26825 2
314 . 1 1 27 27 MET CE C 13 16.969 0.3 . 1 . . . . 27 MET CE . 26825 2
315 . 1 1 27 27 MET N N 15 123.201 0.3 . 1 . . . . 27 MET N . 26825 2
316 . 1 1 28 28 GLU H H 1 8.282 0.020 . 1 . . . . 28 GLU H . 26825 2
317 . 1 1 28 28 GLU HA H 1 4.198 0.020 . 1 . . . . 28 GLU HA . 26825 2
318 . 1 1 28 28 GLU HB2 H 1 1.996 0.020 . 2 . . . . 28 GLU HB2 . 26825 2
319 . 1 1 28 28 GLU HB3 H 1 1.932 0.020 . 2 . . . . 28 GLU HB3 . 26825 2
320 . 1 1 28 28 GLU HG2 H 1 2.239 0.020 . 1 . . . . 28 GLU HG2 . 26825 2
321 . 1 1 28 28 GLU HG3 H 1 2.239 0.020 . 1 . . . . 28 GLU HG3 . 26825 2
322 . 1 1 28 28 GLU CA C 13 56.910 0.3 . 1 . . . . 28 GLU CA . 26825 2
323 . 1 1 28 28 GLU CB C 13 30.513 0.3 . 1 . . . . 28 GLU CB . 26825 2
324 . 1 1 28 28 GLU CG C 13 36.366 0.3 . 1 . . . . 28 GLU CG . 26825 2
325 . 1 1 28 28 GLU N N 15 121.476 0.3 . 1 . . . . 28 GLU N . 26825 2
326 . 1 1 29 29 LYS H H 1 8.161 0.020 . 1 . . . . 29 LYS H . 26825 2
327 . 1 1 29 29 LYS HA H 1 4.249 0.020 . 1 . . . . 29 LYS HA . 26825 2
328 . 1 1 29 29 LYS HB2 H 1 1.766 0.020 . 2 . . . . 29 LYS HB2 . 26825 2
329 . 1 1 29 29 LYS HB3 H 1 1.740 0.020 . 2 . . . . 29 LYS HB3 . 26825 2
330 . 1 1 29 29 LYS HG2 H 1 1.372 0.020 . 2 . . . . 29 LYS HG2 . 26825 2
331 . 1 1 29 29 LYS HG3 H 1 1.318 0.020 . 2 . . . . 29 LYS HG3 . 26825 2
332 . 1 1 29 29 LYS HD2 H 1 1.711 0.020 . 1 . . . . 29 LYS HD2 . 26825 2
333 . 1 1 29 29 LYS HD3 H 1 1.711 0.020 . 1 . . . . 29 LYS HD3 . 26825 2
334 . 1 1 29 29 LYS HE2 H 1 2.921 0.020 . 1 . . . . 29 LYS HE2 . 26825 2
335 . 1 1 29 29 LYS HE3 H 1 2.921 0.020 . 1 . . . . 29 LYS HE3 . 26825 2
336 . 1 1 29 29 LYS CA C 13 56.597 0.3 . 1 . . . . 29 LYS CA . 26825 2
337 . 1 1 29 29 LYS CB C 13 32.900 0.3 . 1 . . . . 29 LYS CB . 26825 2
338 . 1 1 29 29 LYS CG C 13 24.873 0.3 . 1 . . . . 29 LYS CG . 26825 2
339 . 1 1 29 29 LYS CD C 13 29.181 0.3 . 1 . . . . 29 LYS CD . 26825 2
340 . 1 1 29 29 LYS CE C 13 42.151 0.3 . 1 . . . . 29 LYS CE . 26825 2
341 . 1 1 29 29 LYS N N 15 122.186 0.3 . 1 . . . . 29 LYS N . 26825 2
342 . 1 1 30 30 ILE H H 1 8.180 0.020 . 1 . . . . 30 ILE H . 26825 2
343 . 1 1 30 30 ILE HA H 1 4.086 0.020 . 1 . . . . 30 ILE HA . 26825 2
344 . 1 1 30 30 ILE HB H 1 1.817 0.020 . 1 . . . . 30 ILE HB . 26825 2
345 . 1 1 30 30 ILE HG12 H 1 1.449 0.020 . 2 . . . . 30 ILE HG12 . 26825 2
346 . 1 1 30 30 ILE HG13 H 1 1.153 0.020 . 2 . . . . 30 ILE HG13 . 26825 2
347 . 1 1 30 30 ILE HG21 H 1 0.859 0.020 . 1 . . . . 30 ILE QG2 . 26825 2
348 . 1 1 30 30 ILE HG22 H 1 0.859 0.020 . 1 . . . . 30 ILE QG2 . 26825 2
349 . 1 1 30 30 ILE HG23 H 1 0.859 0.020 . 1 . . . . 30 ILE QG2 . 26825 2
350 . 1 1 30 30 ILE HD11 H 1 0.810 0.020 . 1 . . . . 30 ILE QD1 . 26825 2
351 . 1 1 30 30 ILE HD12 H 1 0.810 0.020 . 1 . . . . 30 ILE QD1 . 26825 2
352 . 1 1 30 30 ILE HD13 H 1 0.810 0.020 . 1 . . . . 30 ILE QD1 . 26825 2
353 . 1 1 30 30 ILE CA C 13 61.439 0.3 . 1 . . . . 30 ILE CA . 26825 2
354 . 1 1 30 30 ILE CB C 13 38.685 0.3 . 1 . . . . 30 ILE CB . 26825 2
355 . 1 1 30 30 ILE CG1 C 13 27.457 0.3 . 1 . . . . 30 ILE CG1 . 26825 2
356 . 1 1 30 30 ILE CG2 C 13 17.502 0.3 . 1 . . . . 30 ILE CG2 . 26825 2
357 . 1 1 30 30 ILE CD1 C 13 12.869 0.3 . 1 . . . . 30 ILE CD1 . 26825 2
358 . 1 1 30 30 ILE N N 15 122.483 0.3 . 1 . . . . 30 ILE N . 26825 2
359 . 1 1 31 31 GLN H H 1 8.417 0.020 . 1 . . . . 31 GLN H . 26825 2
360 . 1 1 31 31 GLN HA H 1 4.256 0.020 . 1 . . . . 31 GLN HA . 26825 2
361 . 1 1 31 31 GLN HB2 H 1 2.072 0.020 . 2 . . . . 31 GLN HB2 . 26825 2
362 . 1 1 31 31 GLN HB3 H 1 1.988 0.020 . 2 . . . . 31 GLN HB3 . 26825 2
363 . 1 1 31 31 GLN HG2 H 1 2.360 0.020 . 1 . . . . 31 GLN HG2 . 26825 2
364 . 1 1 31 31 GLN HG3 H 1 2.360 0.020 . 1 . . . . 31 GLN HG3 . 26825 2
365 . 1 1 31 31 GLN HE21 H 1 7.526 0.020 . 1 . . . . 31 GLN HE21 . 26825 2
366 . 1 1 31 31 GLN HE22 H 1 6.851 0.020 . 1 . . . . 31 GLN HE22 . 26825 2
367 . 1 1 31 31 GLN CA C 13 56.394 0.3 . 1 . . . . 31 GLN CA . 26825 2
368 . 1 1 31 31 GLN CB C 13 29.252 0.3 . 1 . . . . 31 GLN CB . 26825 2
369 . 1 1 31 31 GLN CG C 13 33.817 0.3 . 1 . . . . 31 GLN CG . 26825 2
370 . 1 1 31 31 GLN N N 15 124.050 0.3 . 1 . . . . 31 GLN N . 26825 2
371 . 1 1 31 31 GLN NE2 N 15 112.339 0.3 . 1 . . . . 31 GLN NE2 . 26825 2
372 . 1 1 32 32 GLY H H 1 8.471 0.020 . 1 . . . . 32 GLY H . 26825 2
373 . 1 1 32 32 GLY HA2 H 1 3.921 0.020 . 2 . . . . 32 GLY HA2 . 26825 2
374 . 1 1 32 32 GLY HA3 H 1 3.973 0.020 . 2 . . . . 32 GLY HA3 . 26825 2
375 . 1 1 32 32 GLY CA C 13 45.389 0.3 . 1 . . . . 32 GLY CA . 26825 2
376 . 1 1 32 32 GLY N N 15 110.685 0.3 . 1 . . . . 32 GLY N . 26825 2
377 . 1 1 33 33 ARG H H 1 8.193 0.020 . 1 . . . . 33 ARG H . 26825 2
378 . 1 1 33 33 ARG HA H 1 4.366 0.020 . 1 . . . . 33 ARG HA . 26825 2
379 . 1 1 33 33 ARG HB2 H 1 1.730 0.020 . 2 . . . . 33 ARG HB2 . 26825 2
380 . 1 1 33 33 ARG HB3 H 1 1.876 0.020 . 2 . . . . 33 ARG HB3 . 26825 2
381 . 1 1 33 33 ARG HG2 H 1 1.595 0.020 . 1 . . . . 33 ARG HG2 . 26825 2
382 . 1 1 33 33 ARG HG3 H 1 1.595 0.020 . 1 . . . . 33 ARG HG3 . 26825 2
383 . 1 1 33 33 ARG HD2 H 1 3.141 0.020 . 1 . . . . 33 ARG HD2 . 26825 2
384 . 1 1 33 33 ARG HD3 H 1 3.141 0.020 . 1 . . . . 33 ARG HD3 . 26825 2
385 . 1 1 33 33 ARG HE H 1 7.338 0.020 . 1 . . . . 33 ARG HE . 26825 2
386 . 1 1 33 33 ARG CA C 13 56.076 0.3 . 1 . . . . 33 ARG CA . 26825 2
387 . 1 1 33 33 ARG CB C 13 31.059 0.3 . 1 . . . . 33 ARG CB . 26825 2
388 . 1 1 33 33 ARG CG C 13 27.032 0.3 . 1 . . . . 33 ARG CG . 26825 2
389 . 1 1 33 33 ARG CD C 13 43.388 0.3 . 1 . . . . 33 ARG CD . 26825 2
390 . 1 1 33 33 ARG N N 15 120.559 0.3 . 1 . . . . 33 ARG N . 26825 2
391 . 1 1 33 33 ARG NE N 15 84.794 0.3 . 1 . . . . 33 ARG NE . 26825 2
392 . 1 1 34 34 GLY H H 1 8.610 0.020 . 1 . . . . 34 GLY H . 26825 2
393 . 1 1 34 34 GLY HA2 H 1 3.922 0.020 . 2 . . . . 34 GLY HA2 . 26825 2
394 . 1 1 34 34 GLY HA3 H 1 3.999 0.020 . 2 . . . . 34 GLY HA3 . 26825 2
395 . 1 1 34 34 GLY CA C 13 45.325 0.3 . 1 . . . . 34 GLY CA . 26825 2
396 . 1 1 34 34 GLY N N 15 110.653 0.3 . 1 . . . . 34 GLY N . 26825 2
397 . 1 1 35 35 ASP H H 1 8.326 0.020 . 1 . . . . 35 ASP H . 26825 2
398 . 1 1 35 35 ASP HA H 1 4.595 0.020 . 1 . . . . 35 ASP HA . 26825 2
399 . 1 1 35 35 ASP HB2 H 1 2.699 0.020 . 2 . . . . 35 ASP HB2 . 26825 2
400 . 1 1 35 35 ASP HB3 H 1 2.576 0.020 . 2 . . . . 35 ASP HB3 . 26825 2
401 . 1 1 35 35 ASP CA C 13 54.359 0.3 . 1 . . . . 35 ASP CA . 26825 2
402 . 1 1 35 35 ASP CB C 13 41.278 0.3 . 1 . . . . 35 ASP CB . 26825 2
403 . 1 1 35 35 ASP N N 15 120.548 0.3 . 1 . . . . 35 ASP N . 26825 2
404 . 1 1 36 36 ASP H H 1 8.324 0.020 . 1 . . . . 36 ASP H . 26825 2
405 . 1 1 36 36 ASP HA H 1 4.587 0.020 . 1 . . . . 36 ASP HA . 26825 2
406 . 1 1 36 36 ASP HB2 H 1 2.695 0.020 . 2 . . . . 36 ASP HB2 . 26825 2
407 . 1 1 36 36 ASP HB3 H 1 2.580 0.020 . 2 . . . . 36 ASP HB3 . 26825 2
408 . 1 1 36 36 ASP CA C 13 54.444 0.3 . 1 . . . . 36 ASP CA . 26825 2
409 . 1 1 36 36 ASP CB C 13 41.320 0.3 . 1 . . . . 36 ASP CB . 26825 2
410 . 1 1 36 36 ASP N N 15 119.453 0.3 . 1 . . . . 36 ASP N . 26825 2
411 . 1 1 37 37 ASP H H 1 8.269 0.020 . 1 . . . . 37 ASP H . 26825 2
412 . 1 1 37 37 ASP HA H 1 4.599 0.020 . 1 . . . . 37 ASP HA . 26825 2
413 . 1 1 37 37 ASP HB2 H 1 2.687 0.020 . 2 . . . . 37 ASP HB2 . 26825 2
414 . 1 1 37 37 ASP HB3 H 1 2.583 0.020 . 2 . . . . 37 ASP HB3 . 26825 2
415 . 1 1 37 37 ASP CA C 13 54.373 0.3 . 1 . . . . 37 ASP CA . 26825 2
416 . 1 1 37 37 ASP CB C 13 41.421 0.3 . 1 . . . . 37 ASP CB . 26825 2
417 . 1 1 37 37 ASP N N 15 120.736 0.3 . 1 . . . . 37 ASP N . 26825 2
418 . 1 1 38 38 ASP H H 1 8.159 0.020 . 1 . . . . 38 ASP H . 26825 2
419 . 1 1 38 38 ASP HA H 1 4.594 0.020 . 1 . . . . 38 ASP HA . 26825 2
420 . 1 1 38 38 ASP HB2 H 1 2.698 0.020 . 2 . . . . 38 ASP HB2 . 26825 2
421 . 1 1 38 38 ASP HB3 H 1 2.581 0.020 . 2 . . . . 38 ASP HB3 . 26825 2
422 . 1 1 38 38 ASP CA C 13 54.373 0.3 . 1 . . . . 38 ASP CA . 26825 2
423 . 1 1 38 38 ASP CB C 13 41.421 0.3 . 1 . . . . 38 ASP CB . 26825 2
424 . 1 1 38 38 ASP N N 15 120.327 0.3 . 1 . . . . 38 ASP N . 26825 2
425 . 1 1 39 39 ASP H H 1 8.310 0.020 . 1 . . . . 39 ASP H . 26825 2
426 . 1 1 39 39 ASP HA H 1 4.602 0.020 . 1 . . . . 39 ASP HA . 26825 2
427 . 1 1 39 39 ASP HB2 H 1 2.685 0.020 . 2 . . . . 39 ASP HB2 . 26825 2
428 . 1 1 39 39 ASP HB3 H 1 2.592 0.020 . 2 . . . . 39 ASP HB3 . 26825 2
429 . 1 1 39 39 ASP CA C 13 54.373 0.3 . 1 . . . . 39 ASP CA . 26825 2
430 . 1 1 39 39 ASP CB C 13 41.421 0.3 . 1 . . . . 39 ASP CB . 26825 2
431 . 1 1 39 39 ASP N N 15 120.897 0.3 . 1 . . . . 39 ASP N . 26825 2
432 . 1 1 40 40 ASP H H 1 8.310 0.020 . 1 . . . . 40 ASP H . 26825 2
433 . 1 1 40 40 ASP HA H 1 4.602 0.020 . 1 . . . . 40 ASP HA . 26825 2
434 . 1 1 40 40 ASP HB2 H 1 2.685 0.020 . 2 . . . . 40 ASP HB2 . 26825 2
435 . 1 1 40 40 ASP HB3 H 1 2.592 0.020 . 2 . . . . 40 ASP HB3 . 26825 2
436 . 1 1 40 40 ASP CA C 13 54.373 0.3 . 1 . . . . 40 ASP CA . 26825 2
437 . 1 1 40 40 ASP CB C 13 41.421 0.3 . 1 . . . . 40 ASP CB . 26825 2
438 . 1 1 40 40 ASP N N 15 120.897 0.3 . 1 . . . . 40 ASP N . 26825 2
439 . 1 1 41 41 ASP H H 1 8.310 0.020 . 1 . . . . 41 ASP H . 26825 2
440 . 1 1 41 41 ASP HA H 1 4.602 0.020 . 1 . . . . 41 ASP HA . 26825 2
441 . 1 1 41 41 ASP HB2 H 1 2.685 0.020 . 2 . . . . 41 ASP HB2 . 26825 2
442 . 1 1 41 41 ASP HB3 H 1 2.592 0.020 . 2 . . . . 41 ASP HB3 . 26825 2
443 . 1 1 41 41 ASP CA C 13 54.373 0.3 . 1 . . . . 41 ASP CA . 26825 2
444 . 1 1 41 41 ASP CB C 13 41.421 0.3 . 1 . . . . 41 ASP CB . 26825 2
445 . 1 1 41 41 ASP N N 15 120.897 0.3 . 1 . . . . 41 ASP N . 26825 2
446 . 1 1 42 42 ASP H H 1 8.319 0.020 . 1 . . . . 42 ASP H . 26825 2
447 . 1 1 42 42 ASP HA H 1 4.636 0.020 . 1 . . . . 42 ASP HA . 26825 2
448 . 1 1 42 42 ASP HB2 H 1 2.714 0.020 . 2 . . . . 42 ASP HB2 . 26825 2
449 . 1 1 42 42 ASP HB3 H 1 2.551 0.020 . 2 . . . . 42 ASP HB3 . 26825 2
450 . 1 1 42 42 ASP CA C 13 54.371 0.3 . 1 . . . . 42 ASP CA . 26825 2
451 . 1 1 42 42 ASP CB C 13 41.421 0.3 . 1 . . . . 42 ASP CB . 26825 2
452 . 1 1 42 42 ASP N N 15 121.156 0.3 . 1 . . . . 42 ASP N . 26825 2
453 . 1 1 43 43 ASP H H 1 7.970 0.020 . 1 . . . . 43 ASP H . 26825 2
454 . 1 1 43 43 ASP HA H 1 4.357 0.020 . 1 . . . . 43 ASP HA . 26825 2
455 . 1 1 43 43 ASP HB2 H 1 2.637 0.020 . 2 . . . . 43 ASP HB2 . 26825 2
456 . 1 1 43 43 ASP HB3 H 1 2.556 0.020 . 2 . . . . 43 ASP HB3 . 26825 2
457 . 1 1 43 43 ASP CA C 13 55.954 0.3 . 1 . . . . 43 ASP CA . 26825 2
458 . 1 1 43 43 ASP CB C 13 42.200 0.3 . 1 . . . . 43 ASP CB . 26825 2
459 . 1 1 43 43 ASP N N 15 125.801 0.3 . 1 . . . . 43 ASP N . 26825 2
stop_
save_