Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50126
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50126 1
2 '3D HNCaCO' . . . 50126 1
3 '3D HNCO' . . . 50126 1
4 '3D HNCACB' . . . 50126 1
5 HNCOCaCB . . . 50126 1
6 BHNCOCaCb . . . 50126 1
7 hCCcoNH . . . 50126 1
8 HNcaNNH . . . 50126 1
9 HNcN . . . 50126 1
10 hbhanh . . . 50126 1
11 '3D HNHA' . . . 50126 1
12 hbhaconh . . . 50126 1
13 HcccoNH . . . 50126 1
14 '3D HCCH-TOCSY' . . . 50126 1
15 HcCH-TOCSY . . . 50126 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50126 1
2 $software_2 . . 50126 1
3 $software_3 . . 50126 1
4 $software_4 . . 50126 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 LYS HA H 1 4.323 0.003 . 1 . . . . . 3 LYS HA . 50126 1
2 . 1 . 1 3 3 LYS HB2 H 1 1.780 0.005 . 1 . . . . . 3 LYS HB2 . 50126 1
3 . 1 . 1 3 3 LYS HG2 H 1 1.443 0.000 . 1 . . . . . 3 LYS HG2 . 50126 1
4 . 1 . 1 3 3 LYS HD2 H 1 1.668 0.000 . 1 . . . . . 3 LYS HD2 . 50126 1
5 . 1 . 1 3 3 LYS HE2 H 1 2.975 0.000 . 1 . . . . . 3 LYS HE2 . 50126 1
6 . 1 . 1 3 3 LYS C C 13 176.815 0.000 . 1 . . . . . 3 LYS C . 50126 1
7 . 1 . 1 3 3 LYS CA C 13 56.422 0.164 . 1 . . . . . 3 LYS CA . 50126 1
8 . 1 . 1 3 3 LYS CB C 13 33.126 0.085 . 1 . . . . . 3 LYS CB . 50126 1
9 . 1 . 1 3 3 LYS CG C 13 24.674 0.000 . 1 . . . . . 3 LYS CG . 50126 1
10 . 1 . 1 3 3 LYS CD C 13 28.926 0.000 . 1 . . . . . 3 LYS CD . 50126 1
11 . 1 . 1 3 3 LYS N N 15 121.157 0.000 . 1 . . . . . 3 LYS N . 50126 1
12 . 1 . 1 4 4 GLY H H 1 8.559 0.006 . 1 . . . . . 4 GLY H . 50126 1
13 . 1 . 1 4 4 GLY HA2 H 1 4.193 0.016 . 2 . . . . . 4 GLY HA2 . 50126 1
14 . 1 . 1 4 4 GLY HA3 H 1 3.837 0.007 . 2 . . . . . 4 GLY HA3 . 50126 1
15 . 1 . 1 4 4 GLY C C 13 173.161 0.005 . 1 . . . . . 4 GLY C . 50126 1
16 . 1 . 1 4 4 GLY CA C 13 45.129 0.088 . 1 . . . . . 4 GLY CA . 50126 1
17 . 1 . 1 4 4 GLY N N 15 110.168 0.011 . 1 . . . . . 4 GLY N . 50126 1
18 . 1 . 1 5 5 VAL H H 1 8.217 0.005 . 1 . . . . . 5 VAL H . 50126 1
19 . 1 . 1 5 5 VAL HA H 1 4.390 0.010 . 1 . . . . . 5 VAL HA . 50126 1
20 . 1 . 1 5 5 VAL C C 13 174.741 0.008 . 1 . . . . . 5 VAL C . 50126 1
21 . 1 . 1 5 5 VAL CA C 13 60.906 0.087 . 1 . . . . . 5 VAL CA . 50126 1
22 . 1 . 1 5 5 VAL CB C 13 34.863 0.069 . 1 . . . . . 5 VAL CB . 50126 1
23 . 1 . 1 5 5 VAL N N 15 119.608 0.027 . 1 . . . . . 5 VAL N . 50126 1
24 . 1 . 1 6 6 ARG H H 1 8.837 0.006 . 1 . . . . . 6 ARG H . 50126 1
25 . 1 . 1 6 6 ARG HA H 1 4.913 0.006 . 1 . . . . . 6 ARG HA . 50126 1
26 . 1 . 1 6 6 ARG HB2 H 1 1.830 0.000 . 2 . . . . . 6 ARG HB2 . 50126 1
27 . 1 . 1 6 6 ARG HB3 H 1 1.698 0.000 . 2 . . . . . 6 ARG HB3 . 50126 1
28 . 1 . 1 6 6 ARG C C 13 176.072 0.017 . 1 . . . . . 6 ARG C . 50126 1
29 . 1 . 1 6 6 ARG CA C 13 55.029 0.158 . 1 . . . . . 6 ARG CA . 50126 1
30 . 1 . 1 6 6 ARG CB C 13 30.261 0.063 . 1 . . . . . 6 ARG CB . 50126 1
31 . 1 . 1 6 6 ARG N N 15 126.569 0.013 . 1 . . . . . 6 ARG N . 50126 1
32 . 1 . 1 7 7 VAL H H 1 8.917 0.005 . 1 . . . . . 7 VAL H . 50126 1
33 . 1 . 1 7 7 VAL HA H 1 4.966 0.012 . 1 . . . . . 7 VAL HA . 50126 1
34 . 1 . 1 7 7 VAL HB H 1 1.691 0.007 . 1 . . . . . 7 VAL HB . 50126 1
35 . 1 . 1 7 7 VAL HG11 H 1 0.740 0.012 . 2 . . . . . 7 VAL HG11 . 50126 1
36 . 1 . 1 7 7 VAL HG12 H 1 0.740 0.012 . 2 . . . . . 7 VAL HG12 . 50126 1
37 . 1 . 1 7 7 VAL HG13 H 1 0.740 0.012 . 2 . . . . . 7 VAL HG13 . 50126 1
38 . 1 . 1 7 7 VAL HG21 H 1 0.351 0.006 . 2 . . . . . 7 VAL HG21 . 50126 1
39 . 1 . 1 7 7 VAL HG22 H 1 0.351 0.006 . 2 . . . . . 7 VAL HG22 . 50126 1
40 . 1 . 1 7 7 VAL HG23 H 1 0.351 0.006 . 2 . . . . . 7 VAL HG23 . 50126 1
41 . 1 . 1 7 7 VAL C C 13 172.814 0.009 . 1 . . . . . 7 VAL C . 50126 1
42 . 1 . 1 7 7 VAL CA C 13 58.758 0.156 . 1 . . . . . 7 VAL CA . 50126 1
43 . 1 . 1 7 7 VAL CB C 13 35.801 0.019 . 1 . . . . . 7 VAL CB . 50126 1
44 . 1 . 1 7 7 VAL CG1 C 13 21.564 0.000 . 2 . . . . . 7 VAL CG1 . 50126 1
45 . 1 . 1 7 7 VAL CG2 C 13 17.816 0.000 . 2 . . . . . 7 VAL CG2 . 50126 1
46 . 1 . 1 7 7 VAL N N 15 117.517 0.013 . 1 . . . . . 7 VAL N . 50126 1
47 . 1 . 1 8 8 ARG H H 1 9.001 0.007 . 1 . . . . . 8 ARG H . 50126 1
48 . 1 . 1 8 8 ARG HA H 1 5.078 0.006 . 1 . . . . . 8 ARG HA . 50126 1
49 . 1 . 1 8 8 ARG HB2 H 1 1.623 0.010 . 1 . . . . . 8 ARG HB2 . 50126 1
50 . 1 . 1 8 8 ARG HG2 H 1 1.317 0.011 . 2 . . . . . 8 ARG HG2 . 50126 1
51 . 1 . 1 8 8 ARG HG3 H 1 1.421 0.007 . 2 . . . . . 8 ARG HG3 . 50126 1
52 . 1 . 1 8 8 ARG HD2 H 1 3.168 0.000 . 1 . . . . . 8 ARG HD2 . 50126 1
53 . 1 . 1 8 8 ARG C C 13 175.564 0.020 . 1 . . . . . 8 ARG C . 50126 1
54 . 1 . 1 8 8 ARG CA C 13 53.297 0.084 . 1 . . . . . 8 ARG CA . 50126 1
55 . 1 . 1 8 8 ARG CB C 13 33.923 0.068 . 1 . . . . . 8 ARG CB . 50126 1
56 . 1 . 1 8 8 ARG CG C 13 26.829 0.127 . 1 . . . . . 8 ARG CG . 50126 1
57 . 1 . 1 8 8 ARG CD C 13 43.256 0.068 . 1 . . . . . 8 ARG CD . 50126 1
58 . 1 . 1 8 8 ARG N N 15 119.563 0.011 . 1 . . . . . 8 ARG N . 50126 1
59 . 1 . 1 9 9 ALA H H 1 9.097 0.004 . 1 . . . . . 9 ALA H . 50126 1
60 . 1 . 1 9 9 ALA HA H 1 4.270 0.011 . 1 . . . . . 9 ALA HA . 50126 1
61 . 1 . 1 9 9 ALA HB1 H 1 1.199 0.009 . 1 . . . . . 9 ALA HB1 . 50126 1
62 . 1 . 1 9 9 ALA HB2 H 1 1.199 0.009 . 1 . . . . . 9 ALA HB2 . 50126 1
63 . 1 . 1 9 9 ALA HB3 H 1 1.199 0.009 . 1 . . . . . 9 ALA HB3 . 50126 1
64 . 1 . 1 9 9 ALA C C 13 179.161 0.028 . 1 . . . . . 9 ALA C . 50126 1
65 . 1 . 1 9 9 ALA CA C 13 52.276 0.033 . 1 . . . . . 9 ALA CA . 50126 1
66 . 1 . 1 9 9 ALA CB C 13 19.854 0.029 . 1 . . . . . 9 ALA CB . 50126 1
67 . 1 . 1 9 9 ALA N N 15 127.261 0.039 . 1 . . . . . 9 ALA N . 50126 1
68 . 1 . 1 10 10 LEU H H 1 9.660 0.008 . 1 . . . . . 10 LEU H . 50126 1
69 . 1 . 1 10 10 LEU HA H 1 3.886 0.006 . 1 . . . . . 10 LEU HA . 50126 1
70 . 1 . 1 10 10 LEU HB2 H 1 1.173 0.009 . 1 . . . . . 10 LEU HB2 . 50126 1
71 . 1 . 1 10 10 LEU C C 13 175.799 0.026 . 1 . . . . . 10 LEU C . 50126 1
72 . 1 . 1 10 10 LEU CA C 13 55.574 0.103 . 1 . . . . . 10 LEU CA . 50126 1
73 . 1 . 1 10 10 LEU CB C 13 43.228 0.070 . 1 . . . . . 10 LEU CB . 50126 1
74 . 1 . 1 10 10 LEU CG C 13 25.336 0.000 . 1 . . . . . 10 LEU CG . 50126 1
75 . 1 . 1 10 10 LEU N N 15 126.313 0.043 . 1 . . . . . 10 LEU N . 50126 1
76 . 1 . 1 11 11 TYR H H 1 7.053 0.007 . 1 . . . . . 11 TYR H . 50126 1
77 . 1 . 1 11 11 TYR HA H 1 4.909 0.012 . 1 . . . . . 11 TYR HA . 50126 1
78 . 1 . 1 11 11 TYR HB2 H 1 3.331 0.006 . 2 . . . . . 11 TYR HB2 . 50126 1
79 . 1 . 1 11 11 TYR HB3 H 1 2.525 0.007 . 2 . . . . . 11 TYR HB3 . 50126 1
80 . 1 . 1 11 11 TYR C C 13 173.476 0.004 . 1 . . . . . 11 TYR C . 50126 1
81 . 1 . 1 11 11 TYR CA C 13 53.631 0.051 . 1 . . . . . 11 TYR CA . 50126 1
82 . 1 . 1 11 11 TYR CB C 13 42.021 0.102 . 1 . . . . . 11 TYR CB . 50126 1
83 . 1 . 1 11 11 TYR N N 15 113.241 0.020 . 1 . . . . . 11 TYR N . 50126 1
84 . 1 . 1 12 12 ASP H H 1 8.651 0.005 . 1 . . . . . 12 ASP H . 50126 1
85 . 1 . 1 12 12 ASP HA H 1 4.671 0.008 . 1 . . . . . 12 ASP HA . 50126 1
86 . 1 . 1 12 12 ASP HB2 H 1 2.833 0.006 . 2 . . . . . 12 ASP HB2 . 50126 1
87 . 1 . 1 12 12 ASP HB3 H 1 2.662 0.015 . 2 . . . . . 12 ASP HB3 . 50126 1
88 . 1 . 1 12 12 ASP C C 13 176.074 0.017 . 1 . . . . . 12 ASP C . 50126 1
89 . 1 . 1 12 12 ASP CA C 13 54.613 0.096 . 1 . . . . . 12 ASP CA . 50126 1
90 . 1 . 1 12 12 ASP CB C 13 41.163 0.048 . 1 . . . . . 12 ASP CB . 50126 1
91 . 1 . 1 12 12 ASP N N 15 118.728 0.014 . 1 . . . . . 12 ASP N . 50126 1
92 . 1 . 1 13 13 TYR H H 1 8.550 0.007 . 1 . . . . . 13 TYR H . 50126 1
93 . 1 . 1 13 13 TYR HA H 1 4.533 0.007 . 1 . . . . . 13 TYR HA . 50126 1
94 . 1 . 1 13 13 TYR HB2 H 1 2.515 0.006 . 2 . . . . . 13 TYR HB2 . 50126 1
95 . 1 . 1 13 13 TYR HB3 H 1 1.275 0.013 . 2 . . . . . 13 TYR HB3 . 50126 1
96 . 1 . 1 13 13 TYR C C 13 173.343 0.001 . 1 . . . . . 13 TYR C . 50126 1
97 . 1 . 1 13 13 TYR CA C 13 59.117 0.063 . 1 . . . . . 13 TYR CA . 50126 1
98 . 1 . 1 13 13 TYR CB C 13 41.868 0.137 . 1 . . . . . 13 TYR CB . 50126 1
99 . 1 . 1 13 13 TYR N N 15 120.120 0.030 . 1 . . . . . 13 TYR N . 50126 1
100 . 1 . 1 14 14 ASP H H 1 7.460 0.005 . 1 . . . . . 14 ASP H . 50126 1
101 . 1 . 1 14 14 ASP HA H 1 4.716 0.003 . 1 . . . . . 14 ASP HA . 50126 1
102 . 1 . 1 14 14 ASP HB2 H 1 2.310 0.011 . 2 . . . . . 14 ASP HB2 . 50126 1
103 . 1 . 1 14 14 ASP HB3 H 1 2.176 0.006 . 2 . . . . . 14 ASP HB3 . 50126 1
104 . 1 . 1 14 14 ASP C C 13 174.082 0.017 . 1 . . . . . 14 ASP C . 50126 1
105 . 1 . 1 14 14 ASP CA C 13 51.946 0.051 . 1 . . . . . 14 ASP CA . 50126 1
106 . 1 . 1 14 14 ASP CB C 13 41.463 0.063 . 1 . . . . . 14 ASP CB . 50126 1
107 . 1 . 1 14 14 ASP N N 15 127.278 0.006 . 1 . . . . . 14 ASP N . 50126 1
108 . 1 . 1 15 15 GLY H H 1 8.493 0.005 . 1 . . . . . 15 GLY H . 50126 1
109 . 1 . 1 15 15 GLY HA2 H 1 3.988 0.008 . 2 . . . . . 15 GLY HA2 . 50126 1
110 . 1 . 1 15 15 GLY HA3 H 1 3.391 0.014 . 2 . . . . . 15 GLY HA3 . 50126 1
111 . 1 . 1 15 15 GLY C C 13 174.815 0.000 . 1 . . . . . 15 GLY C . 50126 1
112 . 1 . 1 15 15 GLY CA C 13 46.840 0.051 . 1 . . . . . 15 GLY CA . 50126 1
113 . 1 . 1 15 15 GLY N N 15 113.264 0.013 . 1 . . . . . 15 GLY N . 50126 1
114 . 1 . 1 16 16 GLN H H 1 8.969 0.005 . 1 . . . . . 16 GLN H . 50126 1
115 . 1 . 1 16 16 GLN HA H 1 4.210 0.008 . 1 . . . . . 16 GLN HA . 50126 1
116 . 1 . 1 16 16 GLN HB2 H 1 2.127 0.010 . 2 . . . . . 16 GLN HB2 . 50126 1
117 . 1 . 1 16 16 GLN HB3 H 1 2.242 0.014 . 2 . . . . . 16 GLN HB3 . 50126 1
118 . 1 . 1 16 16 GLN HG2 H 1 2.355 0.008 . 2 . . . . . 16 GLN HG2 . 50126 1
119 . 1 . 1 16 16 GLN HG3 H 1 2.457 0.007 . 2 . . . . . 16 GLN HG3 . 50126 1
120 . 1 . 1 16 16 GLN HE21 H 1 6.937 0.009 . 1 . . . . . 16 GLN HE21 . 50126 1
121 . 1 . 1 16 16 GLN HE22 H 1 7.508 0.004 . 1 . . . . . 16 GLN HE22 . 50126 1
122 . 1 . 1 16 16 GLN C C 13 175.778 0.021 . 1 . . . . . 16 GLN C . 50126 1
123 . 1 . 1 16 16 GLN CA C 13 55.859 0.029 . 1 . . . . . 16 GLN CA . 50126 1
124 . 1 . 1 16 16 GLN CB C 13 30.769 0.048 . 1 . . . . . 16 GLN CB . 50126 1
125 . 1 . 1 16 16 GLN CG C 13 33.807 0.161 . 1 . . . . . 16 GLN CG . 50126 1
126 . 1 . 1 16 16 GLN N N 15 123.475 0.013 . 1 . . . . . 16 GLN N . 50126 1
127 . 1 . 1 16 16 GLN NE2 N 15 114.704 0.000 . 1 . . . . . 16 GLN NE2 . 50126 1
128 . 1 . 1 17 17 GLU H H 1 7.304 0.008 . 1 . . . . . 17 GLU H . 50126 1
129 . 1 . 1 17 17 GLU HA H 1 4.541 0.009 . 1 . . . . . 17 GLU HA . 50126 1
130 . 1 . 1 17 17 GLU HB2 H 1 1.648 0.010 . 1 . . . . . 17 GLU HB2 . 50126 1
131 . 1 . 1 17 17 GLU HG2 H 1 2.149 0.006 . 2 . . . . . 17 GLU HG2 . 50126 1
132 . 1 . 1 17 17 GLU HG3 H 1 2.280 0.002 . 2 . . . . . 17 GLU HG3 . 50126 1
133 . 1 . 1 17 17 GLU C C 13 177.762 0.014 . 1 . . . . . 17 GLU C . 50126 1
134 . 1 . 1 17 17 GLU CA C 13 54.050 0.055 . 1 . . . . . 17 GLU CA . 50126 1
135 . 1 . 1 17 17 GLU CB C 13 32.182 0.032 . 1 . . . . . 17 GLU CB . 50126 1
136 . 1 . 1 17 17 GLU CG C 13 35.274 0.031 . 1 . . . . . 17 GLU CG . 50126 1
137 . 1 . 1 17 17 GLU N N 15 116.031 0.010 . 1 . . . . . 17 GLU N . 50126 1
138 . 1 . 1 18 18 GLN H H 1 9.103 0.006 . 1 . . . . . 18 GLN H . 50126 1
139 . 1 . 1 18 18 GLN HA H 1 4.026 0.010 . 1 . . . . . 18 GLN HA . 50126 1
140 . 1 . 1 18 18 GLN HB2 H 1 2.040 0.004 . 2 . . . . . 18 GLN HB2 . 50126 1
141 . 1 . 1 18 18 GLN HB3 H 1 2.093 0.001 . 2 . . . . . 18 GLN HB3 . 50126 1
142 . 1 . 1 18 18 GLN HG2 H 1 2.392 0.008 . 1 . . . . . 18 GLN HG2 . 50126 1
143 . 1 . 1 18 18 GLN HE21 H 1 7.701 0.000 . 1 . . . . . 18 GLN HE21 . 50126 1
144 . 1 . 1 18 18 GLN HE22 H 1 6.908 0.000 . 1 . . . . . 18 GLN HE22 . 50126 1
145 . 1 . 1 18 18 GLN C C 13 176.050 0.017 . 1 . . . . . 18 GLN C . 50126 1
146 . 1 . 1 18 18 GLN CA C 13 58.492 0.124 . 1 . . . . . 18 GLN CA . 50126 1
147 . 1 . 1 18 18 GLN CB C 13 28.517 0.004 . 1 . . . . . 18 GLN CB . 50126 1
148 . 1 . 1 18 18 GLN CG C 13 33.237 0.117 . 1 . . . . . 18 GLN CG . 50126 1
149 . 1 . 1 18 18 GLN N N 15 120.819 0.029 . 1 . . . . . 18 GLN N . 50126 1
150 . 1 . 1 18 18 GLN NE2 N 15 113.111 0.000 . 1 . . . . . 18 GLN NE2 . 50126 1
151 . 1 . 1 19 19 ASP H H 1 8.385 0.007 . 1 . . . . . 19 ASP H . 50126 1
152 . 1 . 1 19 19 ASP HA H 1 4.591 0.033 . 1 . . . . . 19 ASP HA . 50126 1
153 . 1 . 1 19 19 ASP HB2 H 1 2.788 0.009 . 2 . . . . . 19 ASP HB2 . 50126 1
154 . 1 . 1 19 19 ASP HB3 H 1 2.657 0.027 . 2 . . . . . 19 ASP HB3 . 50126 1
155 . 1 . 1 19 19 ASP C C 13 175.323 0.014 . 1 . . . . . 19 ASP C . 50126 1
156 . 1 . 1 19 19 ASP CA C 13 54.011 0.045 . 1 . . . . . 19 ASP CA . 50126 1
157 . 1 . 1 19 19 ASP CB C 13 39.794 0.018 . 1 . . . . . 19 ASP CB . 50126 1
158 . 1 . 1 19 19 ASP N N 15 115.795 0.024 . 1 . . . . . 19 ASP N . 50126 1
159 . 1 . 1 20 20 GLU H H 1 7.551 0.005 . 1 . . . . . 20 GLU H . 50126 1
160 . 1 . 1 20 20 GLU HA H 1 4.861 0.007 . 1 . . . . . 20 GLU HA . 50126 1
161 . 1 . 1 20 20 GLU HB2 H 1 2.011 0.004 . 1 . . . . . 20 GLU HB2 . 50126 1
162 . 1 . 1 20 20 GLU HG2 H 1 2.544 0.007 . 1 . . . . . 20 GLU HG2 . 50126 1
163 . 1 . 1 20 20 GLU C C 13 177.227 0.026 . 1 . . . . . 20 GLU C . 50126 1
164 . 1 . 1 20 20 GLU CA C 13 55.686 0.046 . 1 . . . . . 20 GLU CA . 50126 1
165 . 1 . 1 20 20 GLU CB C 13 32.520 0.082 . 1 . . . . . 20 GLU CB . 50126 1
166 . 1 . 1 20 20 GLU CG C 13 36.562 0.000 . 1 . . . . . 20 GLU CG . 50126 1
167 . 1 . 1 20 20 GLU N N 15 117.883 0.038 . 1 . . . . . 20 GLU N . 50126 1
168 . 1 . 1 21 21 LEU H H 1 8.982 0.006 . 1 . . . . . 21 LEU H . 50126 1
169 . 1 . 1 21 21 LEU HA H 1 4.380 0.020 . 1 . . . . . 21 LEU HA . 50126 1
170 . 1 . 1 21 21 LEU HB2 H 1 1.811 0.005 . 1 . . . . . 21 LEU HB2 . 50126 1
171 . 1 . 1 21 21 LEU HG H 1 1.528 0.012 . 1 . . . . . 21 LEU HG . 50126 1
172 . 1 . 1 21 21 LEU HD11 H 1 0.767 0.006 . 1 . . . . . 21 LEU HD11 . 50126 1
173 . 1 . 1 21 21 LEU HD12 H 1 0.767 0.006 . 1 . . . . . 21 LEU HD12 . 50126 1
174 . 1 . 1 21 21 LEU HD13 H 1 0.767 0.006 . 1 . . . . . 21 LEU HD13 . 50126 1
175 . 1 . 1 21 21 LEU C C 13 174.438 0.006 . 1 . . . . . 21 LEU C . 50126 1
176 . 1 . 1 21 21 LEU CA C 13 54.331 0.066 . 1 . . . . . 21 LEU CA . 50126 1
177 . 1 . 1 21 21 LEU CB C 13 44.471 0.032 . 1 . . . . . 21 LEU CB . 50126 1
178 . 1 . 1 21 21 LEU N N 15 122.154 0.026 . 1 . . . . . 21 LEU N . 50126 1
179 . 1 . 1 22 22 SER H H 1 7.157 0.008 . 1 . . . . . 22 SER H . 50126 1
180 . 1 . 1 22 22 SER HA H 1 5.065 0.004 . 1 . . . . . 22 SER HA . 50126 1
181 . 1 . 1 22 22 SER HB2 H 1 4.085 0.000 . 2 . . . . . 22 SER HB2 . 50126 1
182 . 1 . 1 22 22 SER HB3 H 1 3.653 0.000 . 2 . . . . . 22 SER HB3 . 50126 1
183 . 1 . 1 22 22 SER C C 13 173.310 0.000 . 1 . . . . . 22 SER C . 50126 1
184 . 1 . 1 22 22 SER CA C 13 57.213 0.070 . 1 . . . . . 22 SER CA . 50126 1
185 . 1 . 1 22 22 SER CB C 13 65.761 0.167 . 1 . . . . . 22 SER CB . 50126 1
186 . 1 . 1 22 22 SER N N 15 108.829 0.036 . 1 . . . . . 22 SER N . 50126 1
187 . 1 . 1 23 23 PHE H H 1 8.843 0.006 . 1 . . . . . 23 PHE H . 50126 1
188 . 1 . 1 23 23 PHE HA H 1 4.843 0.014 . 1 . . . . . 23 PHE HA . 50126 1
189 . 1 . 1 23 23 PHE HB2 H 1 3.453 0.008 . 2 . . . . . 23 PHE HB2 . 50126 1
190 . 1 . 1 23 23 PHE HB3 H 1 3.363 0.021 . 2 . . . . . 23 PHE HB3 . 50126 1
191 . 1 . 1 23 23 PHE C C 13 174.590 0.002 . 1 . . . . . 23 PHE C . 50126 1
192 . 1 . 1 23 23 PHE CA C 13 56.010 0.034 . 1 . . . . . 23 PHE CA . 50126 1
193 . 1 . 1 23 23 PHE CB C 13 39.561 0.054 . 1 . . . . . 23 PHE CB . 50126 1
194 . 1 . 1 23 23 PHE N N 15 116.647 0.033 . 1 . . . . . 23 PHE N . 50126 1
195 . 1 . 1 24 24 LYS H H 1 9.211 0.005 . 1 . . . . . 24 LYS H . 50126 1
196 . 1 . 1 24 24 LYS HA H 1 5.028 0.006 . 1 . . . . . 24 LYS HA . 50126 1
197 . 1 . 1 24 24 LYS HB2 H 1 1.769 0.014 . 2 . . . . . 24 LYS HB2 . 50126 1
198 . 1 . 1 24 24 LYS HB3 H 1 1.820 0.000 . 2 . . . . . 24 LYS HB3 . 50126 1
199 . 1 . 1 24 24 LYS HG2 H 1 1.459 0.008 . 2 . . . . . 24 LYS HG2 . 50126 1
200 . 1 . 1 24 24 LYS HG3 H 1 1.395 0.014 . 2 . . . . . 24 LYS HG3 . 50126 1
201 . 1 . 1 24 24 LYS HD2 H 1 1.589 0.000 . 1 . . . . . 24 LYS HD2 . 50126 1
202 . 1 . 1 24 24 LYS C C 13 176.050 0.014 . 1 . . . . . 24 LYS C . 50126 1
203 . 1 . 1 24 24 LYS CA C 13 52.984 0.051 . 1 . . . . . 24 LYS CA . 50126 1
204 . 1 . 1 24 24 LYS CB C 13 34.492 0.057 . 1 . . . . . 24 LYS CB . 50126 1
205 . 1 . 1 24 24 LYS CG C 13 24.340 0.000 . 1 . . . . . 24 LYS CG . 50126 1
206 . 1 . 1 24 24 LYS N N 15 121.564 0.020 . 1 . . . . . 24 LYS N . 50126 1
207 . 1 . 1 25 25 ALA H H 1 9.424 0.005 . 1 . . . . . 25 ALA H . 50126 1
208 . 1 . 1 25 25 ALA HA H 1 3.372 0.010 . 1 . . . . . 25 ALA HA . 50126 1
209 . 1 . 1 25 25 ALA HB1 H 1 1.166 0.007 . 1 . . . . . 25 ALA HB1 . 50126 1
210 . 1 . 1 25 25 ALA HB2 H 1 1.166 0.007 . 1 . . . . . 25 ALA HB2 . 50126 1
211 . 1 . 1 25 25 ALA HB3 H 1 1.166 0.007 . 1 . . . . . 25 ALA HB3 . 50126 1
212 . 1 . 1 25 25 ALA C C 13 178.432 0.003 . 1 . . . . . 25 ALA C . 50126 1
213 . 1 . 1 25 25 ALA CA C 13 53.826 0.089 . 1 . . . . . 25 ALA CA . 50126 1
214 . 1 . 1 25 25 ALA CB C 13 17.792 0.056 . 1 . . . . . 25 ALA CB . 50126 1
215 . 1 . 1 25 25 ALA N N 15 123.047 0.006 . 1 . . . . . 25 ALA N . 50126 1
216 . 1 . 1 26 26 GLY H H 1 8.893 0.007 . 1 . . . . . 26 GLY H . 50126 1
217 . 1 . 1 26 26 GLY HA2 H 1 4.451 0.011 . 2 . . . . . 26 GLY HA2 . 50126 1
218 . 1 . 1 26 26 GLY HA3 H 1 3.383 0.011 . 2 . . . . . 26 GLY HA3 . 50126 1
219 . 1 . 1 26 26 GLY C C 13 174.462 0.009 . 1 . . . . . 26 GLY C . 50126 1
220 . 1 . 1 26 26 GLY CA C 13 44.929 0.037 . 1 . . . . . 26 GLY CA . 50126 1
221 . 1 . 1 26 26 GLY N N 15 112.772 0.038 . 1 . . . . . 26 GLY N . 50126 1
222 . 1 . 1 27 27 ASP H H 1 8.555 0.005 . 1 . . . . . 27 ASP H . 50126 1
223 . 1 . 1 27 27 ASP HA H 1 4.488 0.005 . 1 . . . . . 27 ASP HA . 50126 1
224 . 1 . 1 27 27 ASP HB2 H 1 2.465 0.014 . 2 . . . . . 27 ASP HB2 . 50126 1
225 . 1 . 1 27 27 ASP HB3 H 1 2.856 0.013 . 2 . . . . . 27 ASP HB3 . 50126 1
226 . 1 . 1 27 27 ASP C C 13 174.786 0.003 . 1 . . . . . 27 ASP C . 50126 1
227 . 1 . 1 27 27 ASP CA C 13 55.443 0.059 . 1 . . . . . 27 ASP CA . 50126 1
228 . 1 . 1 27 27 ASP CB C 13 40.848 0.080 . 1 . . . . . 27 ASP CB . 50126 1
229 . 1 . 1 27 27 ASP N N 15 122.850 0.011 . 1 . . . . . 27 ASP N . 50126 1
230 . 1 . 1 28 28 GLU H H 1 8.448 0.005 . 1 . . . . . 28 GLU H . 50126 1
231 . 1 . 1 28 28 GLU HA H 1 5.230 0.008 . 1 . . . . . 28 GLU HA . 50126 1
232 . 1 . 1 28 28 GLU HB2 H 1 1.846 0.014 . 2 . . . . . 28 GLU HB2 . 50126 1
233 . 1 . 1 28 28 GLU HB3 H 1 1.978 0.006 . 2 . . . . . 28 GLU HB3 . 50126 1
234 . 1 . 1 28 28 GLU HG2 H 1 2.387 0.008 . 1 . . . . . 28 GLU HG2 . 50126 1
235 . 1 . 1 28 28 GLU C C 13 174.937 0.005 . 1 . . . . . 28 GLU C . 50126 1
236 . 1 . 1 28 28 GLU CA C 13 54.360 0.053 . 1 . . . . . 28 GLU CA . 50126 1
237 . 1 . 1 28 28 GLU CB C 13 31.393 0.074 . 1 . . . . . 28 GLU CB . 50126 1
238 . 1 . 1 28 28 GLU CG C 13 36.706 0.037 . 1 . . . . . 28 GLU CG . 50126 1
239 . 1 . 1 28 28 GLU N N 15 119.180 0.022 . 1 . . . . . 28 GLU N . 50126 1
240 . 1 . 1 29 29 LEU H H 1 8.770 0.005 . 1 . . . . . 29 LEU H . 50126 1
241 . 1 . 1 29 29 LEU HA H 1 4.592 0.008 . 1 . . . . . 29 LEU HA . 50126 1
242 . 1 . 1 29 29 LEU HB2 H 1 1.507 0.011 . 2 . . . . . 29 LEU HB2 . 50126 1
243 . 1 . 1 29 29 LEU HB3 H 1 1.619 0.006 . 2 . . . . . 29 LEU HB3 . 50126 1
244 . 1 . 1 29 29 LEU HD11 H 1 -0.121 0.015 . 1 . . . . . 29 LEU HD11 . 50126 1
245 . 1 . 1 29 29 LEU HD12 H 1 -0.121 0.015 . 1 . . . . . 29 LEU HD12 . 50126 1
246 . 1 . 1 29 29 LEU HD13 H 1 -0.121 0.015 . 1 . . . . . 29 LEU HD13 . 50126 1
247 . 1 . 1 29 29 LEU C C 13 174.174 0.017 . 1 . . . . . 29 LEU C . 50126 1
248 . 1 . 1 29 29 LEU CA C 13 55.563 0.031 . 1 . . . . . 29 LEU CA . 50126 1
249 . 1 . 1 29 29 LEU CB C 13 42.888 0.062 . 1 . . . . . 29 LEU CB . 50126 1
250 . 1 . 1 29 29 LEU CG C 13 25.772 0.019 . 1 . . . . . 29 LEU CG . 50126 1
251 . 1 . 1 29 29 LEU N N 15 118.160 0.031 . 1 . . . . . 29 LEU N . 50126 1
252 . 1 . 1 30 30 THR H H 1 8.087 0.005 . 1 . . . . . 30 THR H . 50126 1
253 . 1 . 1 30 30 THR HA H 1 4.856 0.004 . 1 . . . . . 30 THR HA . 50126 1
254 . 1 . 1 30 30 THR HB H 1 3.937 0.005 . 1 . . . . . 30 THR HB . 50126 1
255 . 1 . 1 30 30 THR HG21 H 1 1.076 0.001 . 1 . . . . . 30 THR HG1 . 50126 1
256 . 1 . 1 30 30 THR HG22 H 1 1.076 0.001 . 1 . . . . . 30 THR HG1 . 50126 1
257 . 1 . 1 30 30 THR HG23 H 1 1.076 0.001 . 1 . . . . . 30 THR HG1 . 50126 1
258 . 1 . 1 30 30 THR C C 13 173.157 0.006 . 1 . . . . . 30 THR C . 50126 1
259 . 1 . 1 30 30 THR CA C 13 62.517 0.117 . 1 . . . . . 30 THR CA . 50126 1
260 . 1 . 1 30 30 THR CB C 13 70.345 0.045 . 1 . . . . . 30 THR CB . 50126 1
261 . 1 . 1 30 30 THR CG2 C 13 21.698 0.018 . 1 . . . . . 30 THR CG2 . 50126 1
262 . 1 . 1 30 30 THR N N 15 114.783 0.045 . 1 . . . . . 30 THR N . 50126 1
263 . 1 . 1 31 31 LYS H H 1 9.493 0.006 . 1 . . . . . 31 LYS H . 50126 1
264 . 1 . 1 31 31 LYS HA H 1 4.626 0.001 . 1 . . . . . 31 LYS HA . 50126 1
265 . 1 . 1 31 31 LYS C C 13 176.443 0.006 . 1 . . . . . 31 LYS C . 50126 1
266 . 1 . 1 31 31 LYS CA C 13 56.760 0.088 . 1 . . . . . 31 LYS CA . 50126 1
267 . 1 . 1 31 31 LYS CB C 13 34.669 0.018 . 1 . . . . . 31 LYS CB . 50126 1
268 . 1 . 1 31 31 LYS CG C 13 24.952 0.000 . 1 . . . . . 31 LYS CG . 50126 1
269 . 1 . 1 31 31 LYS N N 15 129.717 0.030 . 1 . . . . . 31 LYS N . 50126 1
270 . 1 . 1 32 32 LEU H H 1 9.272 0.005 . 1 . . . . . 32 LEU H . 50126 1
271 . 1 . 1 32 32 LEU HA H 1 4.687 0.010 . 1 . . . . . 32 LEU HA . 50126 1
272 . 1 . 1 32 32 LEU HB2 H 1 1.558 0.011 . 2 . . . . . 32 LEU HB2 . 50126 1
273 . 1 . 1 32 32 LEU HB3 H 1 1.324 0.012 . 2 . . . . . 32 LEU HB3 . 50126 1
274 . 1 . 1 32 32 LEU HG H 1 1.452 0.013 . 1 . . . . . 32 LEU HG . 50126 1
275 . 1 . 1 32 32 LEU HD11 H 1 0.804 0.009 . 1 . . . . . 32 LEU HD11 . 50126 1
276 . 1 . 1 32 32 LEU HD12 H 1 0.804 0.009 . 1 . . . . . 32 LEU HD12 . 50126 1
277 . 1 . 1 32 32 LEU HD13 H 1 0.804 0.009 . 1 . . . . . 32 LEU HD13 . 50126 1
278 . 1 . 1 32 32 LEU C C 13 176.447 0.008 . 1 . . . . . 32 LEU C . 50126 1
279 . 1 . 1 32 32 LEU CA C 13 54.246 0.031 . 1 . . . . . 32 LEU CA . 50126 1
280 . 1 . 1 32 32 LEU CB C 13 43.614 0.099 . 1 . . . . . 32 LEU CB . 50126 1
281 . 1 . 1 32 32 LEU CG C 13 26.654 0.028 . 1 . . . . . 32 LEU CG . 50126 1
282 . 1 . 1 32 32 LEU N N 15 128.518 0.034 . 1 . . . . . 32 LEU N . 50126 1
283 . 1 . 1 33 33 GLY H H 1 7.830 0.005 . 1 . . . . . 33 GLY H . 50126 1
284 . 1 . 1 33 33 GLY HA2 H 1 4.297 0.010 . 2 . . . . . 33 GLY HA2 . 50126 1
285 . 1 . 1 33 33 GLY HA3 H 1 3.966 0.010 . 2 . . . . . 33 GLY HA3 . 50126 1
286 . 1 . 1 33 33 GLY C C 13 171.855 0.005 . 1 . . . . . 33 GLY C . 50126 1
287 . 1 . 1 33 33 GLY CA C 13 44.930 0.087 . 1 . . . . . 33 GLY CA . 50126 1
288 . 1 . 1 33 33 GLY N N 15 108.114 0.018 . 1 . . . . . 33 GLY N . 50126 1
289 . 1 . 1 34 34 GLU H H 1 8.417 0.006 . 1 . . . . . 34 GLU H . 50126 1
290 . 1 . 1 34 34 GLU HA H 1 4.401 0.010 . 1 . . . . . 34 GLU HA . 50126 1
291 . 1 . 1 34 34 GLU HB2 H 1 1.809 0.012 . 2 . . . . . 34 GLU HB2 . 50126 1
292 . 1 . 1 34 34 GLU HB3 H 1 2.150 0.012 . 2 . . . . . 34 GLU HB3 . 50126 1
293 . 1 . 1 34 34 GLU HG2 H 1 2.276 0.004 . 2 . . . . . 34 GLU HG2 . 50126 1
294 . 1 . 1 34 34 GLU HG3 H 1 2.380 0.010 . 2 . . . . . 34 GLU HG3 . 50126 1
295 . 1 . 1 34 34 GLU C C 13 177.109 0.020 . 1 . . . . . 34 GLU C . 50126 1
296 . 1 . 1 34 34 GLU CA C 13 54.775 0.053 . 1 . . . . . 34 GLU CA . 50126 1
297 . 1 . 1 34 34 GLU CB C 13 30.906 0.112 . 1 . . . . . 34 GLU CB . 50126 1
298 . 1 . 1 34 34 GLU CG C 13 35.516 0.038 . 1 . . . . . 34 GLU CG . 50126 1
299 . 1 . 1 34 34 GLU N N 15 116.755 0.013 . 1 . . . . . 34 GLU N . 50126 1
300 . 1 . 1 35 35 GLU H H 1 8.798 0.006 . 1 . . . . . 35 GLU H . 50126 1
301 . 1 . 1 35 35 GLU HA H 1 4.312 0.005 . 1 . . . . . 35 GLU HA . 50126 1
302 . 1 . 1 35 35 GLU HB2 H 1 1.826 0.002 . 2 . . . . . 35 GLU HB2 . 50126 1
303 . 1 . 1 35 35 GLU HB3 H 1 1.709 0.006 . 2 . . . . . 35 GLU HB3 . 50126 1
304 . 1 . 1 35 35 GLU HG2 H 1 2.444 0.000 . 2 . . . . . 35 GLU HG2 . 50126 1
305 . 1 . 1 35 35 GLU HG3 H 1 1.927 0.000 . 2 . . . . . 35 GLU HG3 . 50126 1
306 . 1 . 1 35 35 GLU C C 13 176.621 0.003 . 1 . . . . . 35 GLU C . 50126 1
307 . 1 . 1 35 35 GLU CA C 13 56.683 0.024 . 1 . . . . . 35 GLU CA . 50126 1
308 . 1 . 1 35 35 GLU CB C 13 30.536 0.064 . 1 . . . . . 35 GLU CB . 50126 1
309 . 1 . 1 35 35 GLU CG C 13 35.297 0.000 . 1 . . . . . 35 GLU CG . 50126 1
310 . 1 . 1 35 35 GLU N N 15 123.538 0.025 . 1 . . . . . 35 GLU N . 50126 1
311 . 1 . 1 36 36 ASP H H 1 8.903 0.006 . 1 . . . . . 36 ASP H . 50126 1
312 . 1 . 1 36 36 ASP HA H 1 4.723 0.008 . 1 . . . . . 36 ASP HA . 50126 1
313 . 1 . 1 36 36 ASP HB2 H 1 2.832 0.011 . 1 . . . . . 36 ASP HB2 . 50126 1
314 . 1 . 1 36 36 ASP C C 13 178.354 0.003 . 1 . . . . . 36 ASP C . 50126 1
315 . 1 . 1 36 36 ASP CA C 13 52.481 0.054 . 1 . . . . . 36 ASP CA . 50126 1
316 . 1 . 1 36 36 ASP CB C 13 41.238 0.085 . 1 . . . . . 36 ASP CB . 50126 1
317 . 1 . 1 36 36 ASP N N 15 125.517 0.031 . 1 . . . . . 36 ASP N . 50126 1
318 . 1 . 1 37 37 GLU H H 1 8.867 0.006 . 1 . . . . . 37 GLU H . 50126 1
319 . 1 . 1 37 37 GLU HA H 1 4.100 0.010 . 1 . . . . . 37 GLU HA . 50126 1
320 . 1 . 1 37 37 GLU HB2 H 1 2.091 0.019 . 1 . . . . . 37 GLU HB2 . 50126 1
321 . 1 . 1 37 37 GLU HG2 H 1 2.385 0.011 . 1 . . . . . 37 GLU HG2 . 50126 1
322 . 1 . 1 37 37 GLU C C 13 177.178 0.019 . 1 . . . . . 37 GLU C . 50126 1
323 . 1 . 1 37 37 GLU CA C 13 58.914 0.073 . 1 . . . . . 37 GLU CA . 50126 1
324 . 1 . 1 37 37 GLU CB C 13 29.168 0.028 . 1 . . . . . 37 GLU CB . 50126 1
325 . 1 . 1 37 37 GLU CG C 13 36.529 0.000 . 1 . . . . . 37 GLU CG . 50126 1
326 . 1 . 1 37 37 GLU N N 15 116.936 0.032 . 1 . . . . . 37 GLU N . 50126 1
327 . 1 . 1 38 38 GLN H H 1 8.315 0.006 . 1 . . . . . 38 GLN H . 50126 1
328 . 1 . 1 38 38 GLN HA H 1 4.510 0.005 . 1 . . . . . 38 GLN HA . 50126 1
329 . 1 . 1 38 38 GLN HB2 H 1 2.276 0.000 . 2 . . . . . 38 GLN HB2 . 50126 1
330 . 1 . 1 38 38 GLN HB3 H 1 2.375 0.000 . 2 . . . . . 38 GLN HB3 . 50126 1
331 . 1 . 1 38 38 GLN HG2 H 1 2.432 0.000 . 2 . . . . . 38 GLN HG2 . 50126 1
332 . 1 . 1 38 38 GLN HG3 H 1 2.532 0.000 . 2 . . . . . 38 GLN HG3 . 50126 1
333 . 1 . 1 38 38 GLN HE21 H 1 7.722 0.000 . 1 . . . . . 38 GLN HE21 . 50126 1
334 . 1 . 1 38 38 GLN HE22 H 1 6.950 0.000 . 1 . . . . . 38 GLN HE22 . 50126 1
335 . 1 . 1 38 38 GLN C C 13 175.846 0.014 . 1 . . . . . 38 GLN C . 50126 1
336 . 1 . 1 38 38 GLN CA C 13 55.629 0.018 . 1 . . . . . 38 GLN CA . 50126 1
337 . 1 . 1 38 38 GLN CB C 13 29.822 0.119 . 1 . . . . . 38 GLN CB . 50126 1
338 . 1 . 1 38 38 GLN CG C 13 34.971 0.040 . 1 . . . . . 38 GLN CG . 50126 1
339 . 1 . 1 38 38 GLN N N 15 117.148 0.035 . 1 . . . . . 38 GLN N . 50126 1
340 . 1 . 1 38 38 GLN NE2 N 15 112.862 0.001 . 1 . . . . . 38 GLN NE2 . 50126 1
341 . 1 . 1 39 39 GLY H H 1 8.077 0.004 . 1 . . . . . 39 GLY H . 50126 1
342 . 1 . 1 39 39 GLY HA2 H 1 4.040 0.012 . 1 . . . . . 39 GLY HA2 . 50126 1
343 . 1 . 1 39 39 GLY C C 13 174.238 0.027 . 1 . . . . . 39 GLY C . 50126 1
344 . 1 . 1 39 39 GLY CA C 13 45.468 0.059 . 1 . . . . . 39 GLY CA . 50126 1
345 . 1 . 1 39 39 GLY N N 15 108.180 0.035 . 1 . . . . . 39 GLY N . 50126 1
346 . 1 . 1 40 40 TRP H H 1 8.771 0.003 . 1 . . . . . 40 TRP H . 50126 1
347 . 1 . 1 40 40 TRP HA H 1 4.784 0.011 . 1 . . . . . 40 TRP HA . 50126 1
348 . 1 . 1 40 40 TRP HB2 H 1 3.398 0.007 . 1 . . . . . 40 TRP HB2 . 50126 1
349 . 1 . 1 40 40 TRP HE1 H 1 10.217 0.000 . 1 . . . . . 40 TRP HE1 . 50126 1
350 . 1 . 1 40 40 TRP C C 13 176.307 0.013 . 1 . . . . . 40 TRP C . 50126 1
351 . 1 . 1 40 40 TRP CA C 13 56.589 0.041 . 1 . . . . . 40 TRP CA . 50126 1
352 . 1 . 1 40 40 TRP CB C 13 30.745 0.125 . 1 . . . . . 40 TRP CB . 50126 1
353 . 1 . 1 40 40 TRP N N 15 123.537 0.023 . 1 . . . . . 40 TRP N . 50126 1
354 . 1 . 1 40 40 TRP NE1 N 15 128.791 0.000 . 1 . . . . . 40 TRP NE1 . 50126 1
355 . 1 . 1 41 41 CYS H H 1 8.817 0.005 . 1 . . . . . 41 CYS H . 50126 1
356 . 1 . 1 41 41 CYS HA H 1 4.490 0.009 . 1 . . . . . 41 CYS HA . 50126 1
357 . 1 . 1 41 41 CYS HB2 H 1 2.661 0.010 . 1 . . . . . 41 CYS HB2 . 50126 1
358 . 1 . 1 41 41 CYS HG H 1 1.434 0.004 . 1 . . . . . 41 CYS HG . 50126 1
359 . 1 . 1 41 41 CYS C C 13 172.618 0.031 . 1 . . . . . 41 CYS C . 50126 1
360 . 1 . 1 41 41 CYS CA C 13 57.215 0.090 . 1 . . . . . 41 CYS CA . 50126 1
361 . 1 . 1 41 41 CYS CB C 13 31.037 0.124 . 1 . . . . . 41 CYS CB . 50126 1
362 . 1 . 1 41 41 CYS N N 15 118.963 0.042 . 1 . . . . . 41 CYS N . 50126 1
363 . 1 . 1 42 42 ARG H H 1 8.131 0.005 . 1 . . . . . 42 ARG H . 50126 1
364 . 1 . 1 42 42 ARG HA H 1 4.710 0.009 . 1 . . . . . 42 ARG HA . 50126 1
365 . 1 . 1 42 42 ARG HB2 H 1 1.842 0.007 . 1 . . . . . 42 ARG HB2 . 50126 1
366 . 1 . 1 42 42 ARG HG2 H 1 1.583 0.008 . 1 . . . . . 42 ARG HG2 . 50126 1
367 . 1 . 1 42 42 ARG HD2 H 1 3.151 0.000 . 1 . . . . . 42 ARG HD2 . 50126 1
368 . 1 . 1 42 42 ARG C C 13 176.451 0.011 . 1 . . . . . 42 ARG C . 50126 1
369 . 1 . 1 42 42 ARG CA C 13 55.968 0.007 . 1 . . . . . 42 ARG CA . 50126 1
370 . 1 . 1 42 42 ARG CB C 13 30.955 0.010 . 1 . . . . . 42 ARG CB . 50126 1
371 . 1 . 1 42 42 ARG CG C 13 27.715 0.038 . 1 . . . . . 42 ARG CG . 50126 1
372 . 1 . 1 42 42 ARG CD C 13 43.092 0.017 . 1 . . . . . 42 ARG CD . 50126 1
373 . 1 . 1 42 42 ARG N N 15 121.368 0.039 . 1 . . . . . 42 ARG N . 50126 1
374 . 1 . 1 43 43 GLY H H 1 9.590 0.007 . 1 . . . . . 43 GLY H . 50126 1
375 . 1 . 1 43 43 GLY HA2 H 1 5.310 0.010 . 2 . . . . . 43 GLY HA2 . 50126 1
376 . 1 . 1 43 43 GLY HA3 H 1 3.793 0.007 . 2 . . . . . 43 GLY HA3 . 50126 1
377 . 1 . 1 43 43 GLY C C 13 171.066 0.001 . 1 . . . . . 43 GLY C . 50126 1
378 . 1 . 1 43 43 GLY CA C 13 45.033 0.053 . 1 . . . . . 43 GLY CA . 50126 1
379 . 1 . 1 43 43 GLY N N 15 111.154 0.012 . 1 . . . . . 43 GLY N . 50126 1
380 . 1 . 1 44 44 ARG H H 1 8.879 0.004 . 1 . . . . . 44 ARG H . 50126 1
381 . 1 . 1 44 44 ARG HA H 1 5.550 0.008 . 1 . . . . . 44 ARG HA . 50126 1
382 . 1 . 1 44 44 ARG C C 13 178.011 0.001 . 1 . . . . . 44 ARG C . 50126 1
383 . 1 . 1 44 44 ARG CA C 13 54.059 0.030 . 1 . . . . . 44 ARG CA . 50126 1
384 . 1 . 1 44 44 ARG CB C 13 35.268 0.038 . 1 . . . . . 44 ARG CB . 50126 1
385 . 1 . 1 44 44 ARG CG C 13 26.682 0.000 . 1 . . . . . 44 ARG CG . 50126 1
386 . 1 . 1 44 44 ARG CD C 13 43.708 0.046 . 1 . . . . . 44 ARG CD . 50126 1
387 . 1 . 1 44 44 ARG N N 15 118.799 0.021 . 1 . . . . . 44 ARG N . 50126 1
388 . 1 . 1 45 45 LEU H H 1 9.229 0.004 . 1 . . . . . 45 LEU H . 50126 1
389 . 1 . 1 45 45 LEU HA H 1 4.777 0.010 . 1 . . . . . 45 LEU HA . 50126 1
390 . 1 . 1 45 45 LEU C C 13 179.462 0.012 . 1 . . . . . 45 LEU C . 50126 1
391 . 1 . 1 45 45 LEU CA C 13 54.328 0.013 . 1 . . . . . 45 LEU CA . 50126 1
392 . 1 . 1 45 45 LEU CB C 13 42.965 0.027 . 1 . . . . . 45 LEU CB . 50126 1
393 . 1 . 1 45 45 LEU CG C 13 26.070 0.138 . 1 . . . . . 45 LEU CG . 50126 1
394 . 1 . 1 45 45 LEU N N 15 128.598 0.018 . 1 . . . . . 45 LEU N . 50126 1
395 . 1 . 1 46 46 ASP H H 1 10.442 0.005 . 1 . . . . . 46 ASP H . 50126 1
396 . 1 . 1 46 46 ASP HA H 1 4.429 0.009 . 1 . . . . . 46 ASP HA . 50126 1
397 . 1 . 1 46 46 ASP HB2 H 1 2.750 0.001 . 1 . . . . . 46 ASP HB2 . 50126 1
398 . 1 . 1 46 46 ASP C C 13 177.352 0.030 . 1 . . . . . 46 ASP C . 50126 1
399 . 1 . 1 46 46 ASP CA C 13 57.154 0.126 . 1 . . . . . 46 ASP CA . 50126 1
400 . 1 . 1 46 46 ASP CB C 13 38.887 0.015 . 1 . . . . . 46 ASP CB . 50126 1
401 . 1 . 1 46 46 ASP N N 15 124.905 0.013 . 1 . . . . . 46 ASP N . 50126 1
402 . 1 . 1 47 47 SER H H 1 7.768 0.005 . 1 . . . . . 47 SER H . 50126 1
403 . 1 . 1 47 47 SER HA H 1 4.335 0.011 . 1 . . . . . 47 SER HA . 50126 1
404 . 1 . 1 47 47 SER HB2 H 1 4.171 0.000 . 2 . . . . . 47 SER HB2 . 50126 1
405 . 1 . 1 47 47 SER HB3 H 1 3.950 0.000 . 2 . . . . . 47 SER HB3 . 50126 1
406 . 1 . 1 47 47 SER C C 13 175.685 0.015 . 1 . . . . . 47 SER C . 50126 1
407 . 1 . 1 47 47 SER CA C 13 58.570 0.089 . 1 . . . . . 47 SER CA . 50126 1
408 . 1 . 1 47 47 SER CB C 13 63.390 0.152 . 1 . . . . . 47 SER CB . 50126 1
409 . 1 . 1 47 47 SER N N 15 112.352 0.028 . 1 . . . . . 47 SER N . 50126 1
410 . 1 . 1 48 48 GLY H H 1 8.437 0.005 . 1 . . . . . 48 GLY H . 50126 1
411 . 1 . 1 48 48 GLY HA2 H 1 4.559 0.010 . 2 . . . . . 48 GLY HA2 . 50126 1
412 . 1 . 1 48 48 GLY HA3 H 1 3.464 0.010 . 2 . . . . . 48 GLY HA3 . 50126 1
413 . 1 . 1 48 48 GLY C C 13 173.848 0.018 . 1 . . . . . 48 GLY C . 50126 1
414 . 1 . 1 48 48 GLY CA C 13 44.608 0.073 . 1 . . . . . 48 GLY CA . 50126 1
415 . 1 . 1 48 48 GLY N N 15 111.223 0.026 . 1 . . . . . 48 GLY N . 50126 1
416 . 1 . 1 49 49 GLN H H 1 7.632 0.006 . 1 . . . . . 49 GLN H . 50126 1
417 . 1 . 1 49 49 GLN HA H 1 4.078 0.010 . 1 . . . . . 49 GLN HA . 50126 1
418 . 1 . 1 49 49 GLN HB2 H 1 1.805 0.011 . 2 . . . . . 49 GLN HB2 . 50126 1
419 . 1 . 1 49 49 GLN HB3 H 1 1.984 0.010 . 2 . . . . . 49 GLN HB3 . 50126 1
420 . 1 . 1 49 49 GLN HG2 H 1 2.327 0.008 . 2 . . . . . 49 GLN HG2 . 50126 1
421 . 1 . 1 49 49 GLN HG3 H 1 2.468 0.001 . 2 . . . . . 49 GLN HG3 . 50126 1
422 . 1 . 1 49 49 GLN HE21 H 1 7.968 0.006 . 1 . . . . . 49 GLN HE21 . 50126 1
423 . 1 . 1 49 49 GLN HE22 H 1 6.978 0.000 . 1 . . . . . 49 GLN HE22 . 50126 1
424 . 1 . 1 49 49 GLN C C 13 174.240 0.013 . 1 . . . . . 49 GLN C . 50126 1
425 . 1 . 1 49 49 GLN CA C 13 57.465 0.025 . 1 . . . . . 49 GLN CA . 50126 1
426 . 1 . 1 49 49 GLN CB C 13 28.780 0.050 . 1 . . . . . 49 GLN CB . 50126 1
427 . 1 . 1 49 49 GLN CG C 13 32.895 0.049 . 1 . . . . . 49 GLN CG . 50126 1
428 . 1 . 1 49 49 GLN N N 15 121.622 0.031 . 1 . . . . . 49 GLN N . 50126 1
429 . 1 . 1 49 49 GLN NE2 N 15 112.623 0.004 . 1 . . . . . 49 GLN NE2 . 50126 1
430 . 1 . 1 50 50 LEU H H 1 8.611 0.007 . 1 . . . . . 50 LEU H . 50126 1
431 . 1 . 1 50 50 LEU HA H 1 5.395 0.004 . 1 . . . . . 50 LEU HA . 50126 1
432 . 1 . 1 50 50 LEU HB2 H 1 1.780 0.000 . 2 . . . . . 50 LEU HB2 . 50126 1
433 . 1 . 1 50 50 LEU HB3 H 1 1.627 0.000 . 2 . . . . . 50 LEU HB3 . 50126 1
434 . 1 . 1 50 50 LEU HD11 H 1 0.951 0.019 . 1 . . . . . 50 LEU HD11 . 50126 1
435 . 1 . 1 50 50 LEU HD12 H 1 0.951 0.019 . 1 . . . . . 50 LEU HD12 . 50126 1
436 . 1 . 1 50 50 LEU HD13 H 1 0.951 0.019 . 1 . . . . . 50 LEU HD13 . 50126 1
437 . 1 . 1 50 50 LEU C C 13 177.948 0.002 . 1 . . . . . 50 LEU C . 50126 1
438 . 1 . 1 50 50 LEU CA C 13 53.621 0.043 . 1 . . . . . 50 LEU CA . 50126 1
439 . 1 . 1 50 50 LEU CB C 13 44.950 0.011 . 1 . . . . . 50 LEU CB . 50126 1
440 . 1 . 1 50 50 LEU CG C 13 25.321 0.007 . 1 . . . . . 50 LEU CG . 50126 1
441 . 1 . 1 50 50 LEU N N 15 127.060 0.015 . 1 . . . . . 50 LEU N . 50126 1
442 . 1 . 1 51 51 GLY H H 1 8.509 0.003 . 1 . . . . . 51 GLY H . 50126 1
443 . 1 . 1 51 51 GLY HA2 H 1 3.996 0.012 . 2 . . . . . 51 GLY HA2 . 50126 1
444 . 1 . 1 51 51 GLY HA3 H 1 4.214 0.009 . 2 . . . . . 51 GLY HA3 . 50126 1
445 . 1 . 1 51 51 GLY C C 13 170.792 0.009 . 1 . . . . . 51 GLY C . 50126 1
446 . 1 . 1 51 51 GLY CA C 13 46.132 0.089 . 1 . . . . . 51 GLY CA . 50126 1
447 . 1 . 1 51 51 GLY N N 15 109.482 0.014 . 1 . . . . . 51 GLY N . 50126 1
448 . 1 . 1 52 52 LEU H H 1 9.024 0.005 . 1 . . . . . 52 LEU H . 50126 1
449 . 1 . 1 52 52 LEU HA H 1 5.483 0.005 . 1 . . . . . 52 LEU HA . 50126 1
450 . 1 . 1 52 52 LEU HB2 H 1 1.436 0.000 . 2 . . . . . 52 LEU HB2 . 50126 1
451 . 1 . 1 52 52 LEU HB3 H 1 1.544 0.000 . 2 . . . . . 52 LEU HB3 . 50126 1
452 . 1 . 1 52 52 LEU HG H 1 1.514 0.000 . 1 . . . . . 52 LEU HG . 50126 1
453 . 1 . 1 52 52 LEU HD11 H 1 0.444 0.000 . 2 . . . . . 52 LEU HD11 . 50126 1
454 . 1 . 1 52 52 LEU HD12 H 1 0.444 0.000 . 2 . . . . . 52 LEU HD12 . 50126 1
455 . 1 . 1 52 52 LEU HD13 H 1 0.444 0.000 . 2 . . . . . 52 LEU HD13 . 50126 1
456 . 1 . 1 52 52 LEU HD21 H 1 0.643 0.000 . 2 . . . . . 52 LEU HD21 . 50126 1
457 . 1 . 1 52 52 LEU HD22 H 1 0.643 0.000 . 2 . . . . . 52 LEU HD22 . 50126 1
458 . 1 . 1 52 52 LEU HD23 H 1 0.643 0.000 . 2 . . . . . 52 LEU HD23 . 50126 1
459 . 1 . 1 52 52 LEU C C 13 177.124 0.007 . 1 . . . . . 52 LEU C . 50126 1
460 . 1 . 1 52 52 LEU CA C 13 53.702 0.056 . 1 . . . . . 52 LEU CA . 50126 1
461 . 1 . 1 52 52 LEU CB C 13 45.742 0.064 . 1 . . . . . 52 LEU CB . 50126 1
462 . 1 . 1 52 52 LEU CG C 13 25.133 0.000 . 1 . . . . . 52 LEU CG . 50126 1
463 . 1 . 1 52 52 LEU N N 15 120.620 0.027 . 1 . . . . . 52 LEU N . 50126 1
464 . 1 . 1 53 53 TYR H H 1 9.227 0.004 . 1 . . . . . 53 TYR H . 50126 1
465 . 1 . 1 53 53 TYR HA H 1 5.229 0.009 . 1 . . . . . 53 TYR HA . 50126 1
466 . 1 . 1 53 53 TYR HB2 H 1 2.888 0.000 . 2 . . . . . 53 TYR HB2 . 50126 1
467 . 1 . 1 53 53 TYR HB3 H 1 2.758 0.000 . 2 . . . . . 53 TYR HB3 . 50126 1
468 . 1 . 1 53 53 TYR C C 13 171.064 0.000 . 1 . . . . . 53 TYR C . 50126 1
469 . 1 . 1 53 53 TYR CA C 13 55.316 0.075 . 1 . . . . . 53 TYR CA . 50126 1
470 . 1 . 1 53 53 TYR CB C 13 39.594 0.049 . 1 . . . . . 53 TYR CB . 50126 1
471 . 1 . 1 53 53 TYR N N 15 116.694 0.008 . 1 . . . . . 53 TYR N . 50126 1
472 . 1 . 1 54 54 PRO HA H 1 3.717 0.000 . 1 . . . . . 54 PRO HA . 50126 1
473 . 1 . 1 54 54 PRO C C 13 177.885 0.000 . 1 . . . . . 54 PRO C . 50126 1
474 . 1 . 1 54 54 PRO CA C 13 61.708 0.000 . 1 . . . . . 54 PRO CA . 50126 1
475 . 1 . 1 54 54 PRO CB C 13 29.952 0.000 . 1 . . . . . 54 PRO CB . 50126 1
476 . 1 . 1 55 55 ALA H H 1 8.373 0.004 . 1 . . . . . 55 ALA H . 50126 1
477 . 1 . 1 55 55 ALA HA H 1 3.976 0.009 . 1 . . . . . 55 ALA HA . 50126 1
478 . 1 . 1 55 55 ALA HB1 H 1 1.245 0.012 . 1 . . . . . 55 ALA HB1 . 50126 1
479 . 1 . 1 55 55 ALA HB2 H 1 1.245 0.012 . 1 . . . . . 55 ALA HB2 . 50126 1
480 . 1 . 1 55 55 ALA HB3 H 1 1.245 0.012 . 1 . . . . . 55 ALA HB3 . 50126 1
481 . 1 . 1 55 55 ALA C C 13 178.806 0.022 . 1 . . . . . 55 ALA C . 50126 1
482 . 1 . 1 55 55 ALA CA C 13 55.124 0.108 . 1 . . . . . 55 ALA CA . 50126 1
483 . 1 . 1 55 55 ALA CB C 13 19.439 0.158 . 1 . . . . . 55 ALA CB . 50126 1
484 . 1 . 1 55 55 ALA N N 15 128.247 0.006 . 1 . . . . . 55 ALA N . 50126 1
485 . 1 . 1 56 56 ASN H H 1 8.554 0.005 . 1 . . . . . 56 ASN H . 50126 1
486 . 1 . 1 56 56 ASN HA H 1 4.744 0.007 . 1 . . . . . 56 ASN HA . 50126 1
487 . 1 . 1 56 56 ASN HB2 H 1 2.834 0.011 . 2 . . . . . 56 ASN HB2 . 50126 1
488 . 1 . 1 56 56 ASN HB3 H 1 3.089 0.009 . 2 . . . . . 56 ASN HB3 . 50126 1
489 . 1 . 1 56 56 ASN HD21 H 1 6.733 0.000 . 1 . . . . . 56 ASN HD21 . 50126 1
490 . 1 . 1 56 56 ASN HD22 H 1 7.597 0.004 . 1 . . . . . 56 ASN HD22 . 50126 1
491 . 1 . 1 56 56 ASN C C 13 175.699 0.052 . 1 . . . . . 56 ASN C . 50126 1
492 . 1 . 1 56 56 ASN CA C 13 53.550 0.148 . 1 . . . . . 56 ASN CA . 50126 1
493 . 1 . 1 56 56 ASN CB C 13 36.392 0.087 . 1 . . . . . 56 ASN CB . 50126 1
494 . 1 . 1 56 56 ASN N N 15 111.063 0.008 . 1 . . . . . 56 ASN N . 50126 1
495 . 1 . 1 56 56 ASN ND2 N 15 111.038 0.004 . 1 . . . . . 56 ASN ND2 . 50126 1
496 . 1 . 1 57 57 TYR H H 1 8.407 0.004 . 1 . . . . . 57 TYR H . 50126 1
497 . 1 . 1 57 57 TYR HA H 1 4.726 0.007 . 1 . . . . . 57 TYR HA . 50126 1
498 . 1 . 1 57 57 TYR HB2 H 1 3.594 0.009 . 2 . . . . . 57 TYR HB2 . 50126 1
499 . 1 . 1 57 57 TYR HB3 H 1 3.554 0.000 . 2 . . . . . 57 TYR HB3 . 50126 1
500 . 1 . 1 57 57 TYR C C 13 175.276 0.009 . 1 . . . . . 57 TYR C . 50126 1
501 . 1 . 1 57 57 TYR CA C 13 59.262 0.081 . 1 . . . . . 57 TYR CA . 50126 1
502 . 1 . 1 57 57 TYR CB C 13 38.407 0.021 . 1 . . . . . 57 TYR CB . 50126 1
503 . 1 . 1 57 57 TYR N N 15 119.397 0.020 . 1 . . . . . 57 TYR N . 50126 1
504 . 1 . 1 58 58 VAL H H 1 7.510 0.007 . 1 . . . . . 58 VAL H . 50126 1
505 . 1 . 1 58 58 VAL HA H 1 5.326 0.011 . 1 . . . . . 58 VAL HA . 50126 1
506 . 1 . 1 58 58 VAL HB H 1 1.636 0.012 . 1 . . . . . 58 VAL HB . 50126 1
507 . 1 . 1 58 58 VAL HG11 H 1 0.224 0.003 . 2 . . . . . 58 VAL HG11 . 50126 1
508 . 1 . 1 58 58 VAL HG12 H 1 0.224 0.003 . 2 . . . . . 58 VAL HG12 . 50126 1
509 . 1 . 1 58 58 VAL HG13 H 1 0.224 0.003 . 2 . . . . . 58 VAL HG13 . 50126 1
510 . 1 . 1 58 58 VAL HG21 H 1 0.852 0.005 . 2 . . . . . 58 VAL HG21 . 50126 1
511 . 1 . 1 58 58 VAL HG22 H 1 0.852 0.005 . 2 . . . . . 58 VAL HG22 . 50126 1
512 . 1 . 1 58 58 VAL HG23 H 1 0.852 0.005 . 2 . . . . . 58 VAL HG23 . 50126 1
513 . 1 . 1 58 58 VAL C C 13 173.599 0.010 . 1 . . . . . 58 VAL C . 50126 1
514 . 1 . 1 58 58 VAL CA C 13 58.165 0.038 . 1 . . . . . 58 VAL CA . 50126 1
515 . 1 . 1 58 58 VAL CB C 13 35.616 0.030 . 1 . . . . . 58 VAL CB . 50126 1
516 . 1 . 1 58 58 VAL CG1 C 13 19.609 0.084 . 1 . . . . . 58 VAL CG1 . 50126 1
517 . 1 . 1 58 58 VAL N N 15 109.372 0.011 . 1 . . . . . 58 VAL N . 50126 1
518 . 1 . 1 59 59 GLU H H 1 8.764 0.006 . 1 . . . . . 59 GLU H . 50126 1
519 . 1 . 1 59 59 GLU HA H 1 4.812 0.009 . 1 . . . . . 59 GLU HA . 50126 1
520 . 1 . 1 59 59 GLU HB2 H 1 1.823 0.006 . 2 . . . . . 59 GLU HB2 . 50126 1
521 . 1 . 1 59 59 GLU HB3 H 1 1.987 0.011 . 2 . . . . . 59 GLU HB3 . 50126 1
522 . 1 . 1 59 59 GLU HG2 H 1 2.113 0.008 . 2 . . . . . 59 GLU HG2 . 50126 1
523 . 1 . 1 59 59 GLU HG3 H 1 2.194 0.007 . 2 . . . . . 59 GLU HG3 . 50126 1
524 . 1 . 1 59 59 GLU C C 13 174.661 0.000 . 1 . . . . . 59 GLU C . 50126 1
525 . 1 . 1 59 59 GLU CA C 13 53.413 0.119 . 1 . . . . . 59 GLU CA . 50126 1
526 . 1 . 1 59 59 GLU CB C 13 33.433 0.034 . 1 . . . . . 59 GLU CB . 50126 1
527 . 1 . 1 59 59 GLU CG C 13 34.844 0.143 . 1 . . . . . 59 GLU CG . 50126 1
528 . 1 . 1 59 59 GLU N N 15 117.106 0.018 . 1 . . . . . 59 GLU N . 50126 1
529 . 1 . 1 60 60 ALA H H 1 8.802 0.005 . 1 . . . . . 60 ALA H . 50126 1
530 . 1 . 1 60 60 ALA HA H 1 4.426 0.009 . 1 . . . . . 60 ALA HA . 50126 1
531 . 1 . 1 60 60 ALA HB1 H 1 1.332 0.004 . 1 . . . . . 60 ALA HB1 . 50126 1
532 . 1 . 1 60 60 ALA HB2 H 1 1.332 0.004 . 1 . . . . . 60 ALA HB2 . 50126 1
533 . 1 . 1 60 60 ALA HB3 H 1 1.332 0.004 . 1 . . . . . 60 ALA HB3 . 50126 1
534 . 1 . 1 60 60 ALA C C 13 178.058 0.009 . 1 . . . . . 60 ALA C . 50126 1
535 . 1 . 1 60 60 ALA CA C 13 52.921 0.110 . 1 . . . . . 60 ALA CA . 50126 1
536 . 1 . 1 60 60 ALA CB C 13 18.153 0.019 . 1 . . . . . 60 ALA CB . 50126 1
537 . 1 . 1 60 60 ALA N N 15 125.294 0.010 . 1 . . . . . 60 ALA N . 50126 1
538 . 1 . 1 61 61 ILE H H 1 7.956 0.005 . 1 . . . . . 61 ILE H . 50126 1
539 . 1 . 1 61 61 ILE HA H 1 4.087 0.008 . 1 . . . . . 61 ILE HA . 50126 1
540 . 1 . 1 61 61 ILE HB H 1 1.690 0.008 . 1 . . . . . 61 ILE HB . 50126 1
541 . 1 . 1 61 61 ILE HG12 H 1 1.345 0.000 . 1 . . . . . 61 ILE HG12 . 50126 1
542 . 1 . 1 61 61 ILE HG21 H 1 0.674 0.000 . 1 . . . . . 61 ILE HG21 . 50126 1
543 . 1 . 1 61 61 ILE HG22 H 1 0.674 0.000 . 1 . . . . . 61 ILE HG22 . 50126 1
544 . 1 . 1 61 61 ILE HG23 H 1 0.674 0.000 . 1 . . . . . 61 ILE HG23 . 50126 1
545 . 1 . 1 61 61 ILE HD11 H 1 0.821 0.000 . 1 . . . . . 61 ILE HD11 . 50126 1
546 . 1 . 1 61 61 ILE HD12 H 1 0.821 0.000 . 1 . . . . . 61 ILE HD12 . 50126 1
547 . 1 . 1 61 61 ILE HD13 H 1 0.821 0.000 . 1 . . . . . 61 ILE HD13 . 50126 1
548 . 1 . 1 61 61 ILE C C 13 176.934 0.009 . 1 . . . . . 61 ILE C . 50126 1
549 . 1 . 1 61 61 ILE CA C 13 62.002 0.061 . 1 . . . . . 61 ILE CA . 50126 1
550 . 1 . 1 61 61 ILE CB C 13 38.687 0.095 . 1 . . . . . 61 ILE CB . 50126 1
551 . 1 . 1 61 61 ILE CG1 C 13 27.483 0.041 . 1 . . . . . 61 ILE CG1 . 50126 1
552 . 1 . 1 61 61 ILE CG2 C 13 17.452 0.133 . 1 . . . . . 61 ILE CG2 . 50126 1
553 . 1 . 1 61 61 ILE N N 15 120.370 0.015 . 1 . . . . . 61 ILE N . 50126 1
554 . 1 . 1 62 62 GLY H H 1 8.701 0.006 . 1 . . . . . 62 GLY H . 50126 1
555 . 1 . 1 62 62 GLY HA2 H 1 4.004 0.008 . 1 . . . . . 62 GLY HA2 . 50126 1
556 . 1 . 1 62 62 GLY C C 13 174.077 0.013 . 1 . . . . . 62 GLY C . 50126 1
557 . 1 . 1 62 62 GLY CA C 13 45.142 0.023 . 1 . . . . . 62 GLY CA . 50126 1
558 . 1 . 1 62 62 GLY N N 15 113.000 0.016 . 1 . . . . . 62 GLY N . 50126 1
559 . 1 . 1 63 63 SER H H 1 8.386 0.006 . 1 . . . . . 63 SER H . 50126 1
560 . 1 . 1 63 63 SER HA H 1 4.449 0.011 . 1 . . . . . 63 SER HA . 50126 1
561 . 1 . 1 63 63 SER HB2 H 1 3.868 0.000 . 2 . . . . . 63 SER HB2 . 50126 1
562 . 1 . 1 63 63 SER HB3 H 1 3.805 0.000 . 2 . . . . . 63 SER HB3 . 50126 1
563 . 1 . 1 63 63 SER C C 13 174.817 0.007 . 1 . . . . . 63 SER C . 50126 1
564 . 1 . 1 63 63 SER CA C 13 58.304 0.055 . 1 . . . . . 63 SER CA . 50126 1
565 . 1 . 1 63 63 SER CB C 13 63.701 0.140 . 1 . . . . . 63 SER CB . 50126 1
566 . 1 . 1 63 63 SER N N 15 115.843 0.026 . 1 . . . . . 63 SER N . 50126 1
567 . 1 . 1 64 64 SER H H 1 8.557 0.003 . 1 . . . . . 64 SER H . 50126 1
568 . 1 . 1 64 64 SER HA H 1 4.398 0.003 . 1 . . . . . 64 SER HA . 50126 1
569 . 1 . 1 64 64 SER HB2 H 1 3.858 0.000 . 2 . . . . . 64 SER HB2 . 50126 1
570 . 1 . 1 64 64 SER HB3 H 1 3.787 0.000 . 2 . . . . . 64 SER HB3 . 50126 1
571 . 1 . 1 64 64 SER C C 13 174.337 0.000 . 1 . . . . . 64 SER C . 50126 1
572 . 1 . 1 64 64 SER CA C 13 58.447 0.027 . 1 . . . . . 64 SER CA . 50126 1
573 . 1 . 1 64 64 SER CB C 13 63.297 0.009 . 1 . . . . . 64 SER CB . 50126 1
574 . 1 . 1 64 64 SER N N 15 118.034 0.021 . 1 . . . . . 64 SER N . 50126 1
575 . 1 . 1 65 65 HIS N N 15 121.102 0.000 . 1 . . . . . 65 HIS N . 50126 1
576 . 1 . 1 69 69 HIS HA H 1 4.594 0.003 . 1 . . . . . 69 HIS HA . 50126 1
577 . 1 . 1 69 69 HIS HB2 H 1 3.078 0.016 . 2 . . . . . 69 HIS HB2 . 50126 1
578 . 1 . 1 69 69 HIS HB3 H 1 3.137 0.000 . 2 . . . . . 69 HIS HB3 . 50126 1
579 . 1 . 1 69 69 HIS C C 13 174.090 0.000 . 1 . . . . . 69 HIS C . 50126 1
580 . 1 . 1 69 69 HIS CA C 13 55.918 0.000 . 1 . . . . . 69 HIS CA . 50126 1
581 . 1 . 1 69 69 HIS CB C 13 30.115 0.000 . 1 . . . . . 69 HIS CB . 50126 1
582 . 1 . 1 69 69 HIS N N 15 121.262 0.000 . 1 . . . . . 69 HIS N . 50126 1
583 . 1 . 1 70 70 HIS H H 1 8.300 0.004 . 1 . . . . . 70 HIS H . 50126 1
584 . 1 . 1 70 70 HIS HA H 1 4.420 0.001 . 1 . . . . . 70 HIS HA . 50126 1
585 . 1 . 1 70 70 HIS HB2 H 1 3.202 0.000 . 2 . . . . . 70 HIS HB2 . 50126 1
586 . 1 . 1 70 70 HIS HB3 H 1 3.059 0.000 . 2 . . . . . 70 HIS HB3 . 50126 1
587 . 1 . 1 70 70 HIS C C 13 176.360 0.000 . 1 . . . . . 70 HIS C . 50126 1
588 . 1 . 1 70 70 HIS CA C 13 57.379 0.019 . 1 . . . . . 70 HIS CA . 50126 1
589 . 1 . 1 70 70 HIS CB C 13 30.133 0.017 . 1 . . . . . 70 HIS CB . 50126 1
590 . 1 . 1 70 70 HIS N N 15 125.689 0.006 . 1 . . . . . 70 HIS N . 50126 1
stop_
save_