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 16966
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16966 1
2 '3D HNCA' . . . 16966 1
3 '3D HN(CO)CA' . . . 16966 1
4 '3D HNCACB' . . . 16966 1
5 '3D CBCA(CO)NH' . . . 16966 1
6 '3D 1H-15N NOESY' . . . 16966 1
7 '3D 1H-15N TOCSY' . . . 16966 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
2 $CcpNmr_Analysis . . 16966 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 2 2 PRO CA C 13 63.627 0.080 . 1 . . . . -3 Pro CA . 16966 1
2 . 1 1 2 2 PRO CB C 13 31.907 0.082 . 1 . . . . -3 Pro CB . 16966 1
3 . 1 1 3 3 LEU H H 1 8.251 0.003 . 1 . . . . -2 Leu H . 16966 1
4 . 1 1 3 3 LEU CA C 13 54.328 0.200 . 1 . . . . -2 Leu CA . 16966 1
5 . 1 1 3 3 LEU CB C 13 41.055 0.200 . 1 . . . . -2 Leu CB . 16966 1
6 . 1 1 3 3 LEU N N 15 118.639 0.088 . 1 . . . . -2 Leu N . 16966 1
7 . 1 1 6 6 ALA C C 13 177.625 0.200 . 1 . . . . 2809 Ala C . 16966 1
8 . 1 1 6 6 ALA CA C 13 52.207 0.097 . 1 . . . . 2809 Ala CA . 16966 1
9 . 1 1 6 6 ALA CB C 13 19.174 0.200 . 1 . . . . 2809 Ala CB . 16966 1
10 . 1 1 7 7 ALA H H 1 8.209 0.003 . 1 . . . . 2810 Ala H . 16966 1
11 . 1 1 7 7 ALA CA C 13 50.521 0.053 . 1 . . . . 2810 Ala CA . 16966 1
12 . 1 1 7 7 ALA CB C 13 18.395 0.200 . 1 . . . . 2810 Ala CB . 16966 1
13 . 1 1 7 7 ALA N N 15 124.056 0.114 . 1 . . . . 2810 Ala N . 16966 1
14 . 1 1 8 8 PRO HA H 1 4.364 0.008 . 1 . . . . 2811 Pro HA . 16966 1
15 . 1 1 8 8 PRO HB2 H 1 1.837 0.010 . 2 . . . . 2811 Pro HB2 . 16966 1
16 . 1 1 8 8 PRO HB3 H 1 2.296 0.010 . 2 . . . . 2811 Pro HB3 . 16966 1
17 . 1 1 8 8 PRO C C 13 178.344 0.200 . 1 . . . . 2811 Pro C . 16966 1
18 . 1 1 8 8 PRO CA C 13 63.272 0.053 . 1 . . . . 2811 Pro CA . 16966 1
19 . 1 1 8 8 PRO CB C 13 31.909 0.139 . 1 . . . . 2811 Pro CB . 16966 1
20 . 1 1 9 9 ALA H H 1 8.390 0.007 . 1 . . . . 2812 Ala H . 16966 1
21 . 1 1 9 9 ALA HA H 1 4.189 0.002 . 1 . . . . 2812 Ala HA . 16966 1
22 . 1 1 9 9 ALA HB1 H 1 1.171 0.002 . 1 . . . . 2812 Ala HB1 . 16966 1
23 . 1 1 9 9 ALA HB2 H 1 1.171 0.002 . 1 . . . . 2812 Ala HB2 . 16966 1
24 . 1 1 9 9 ALA HB3 H 1 1.171 0.002 . 1 . . . . 2812 Ala HB3 . 16966 1
25 . 1 1 9 9 ALA C C 13 176.981 0.200 . 1 . . . . 2812 Ala C . 16966 1
26 . 1 1 9 9 ALA CA C 13 53.466 0.110 . 1 . . . . 2812 Ala CA . 16966 1
27 . 1 1 9 9 ALA CB C 13 18.700 0.072 . 1 . . . . 2812 Ala CB . 16966 1
28 . 1 1 9 9 ALA N N 15 122.900 0.104 . 1 . . . . 2812 Ala N . 16966 1
29 . 1 1 10 10 ARG H H 1 8.168 0.006 . 1 . . . . 2813 Arg H . 16966 1
30 . 1 1 10 10 ARG HA H 1 4.180 0.007 . 1 . . . . 2813 Arg HA . 16966 1
31 . 1 1 10 10 ARG HB2 H 1 1.873 0.008 . 1 . . . . 2813 Arg HB2 . 16966 1
32 . 1 1 10 10 ARG HB3 H 1 1.873 0.008 . 1 . . . . 2813 Arg HB3 . 16966 1
33 . 1 1 10 10 ARG C C 13 179.397 0.200 . 1 . . . . 2813 Arg C . 16966 1
34 . 1 1 10 10 ARG CA C 13 57.378 0.065 . 1 . . . . 2813 Arg CA . 16966 1
35 . 1 1 10 10 ARG CB C 13 30.331 0.106 . 1 . . . . 2813 Arg CB . 16966 1
36 . 1 1 10 10 ARG N N 15 115.707 0.064 . 1 . . . . 2813 Arg N . 16966 1
37 . 1 1 11 11 GLU H H 1 7.949 0.008 . 1 . . . . 2814 Glu H . 16966 1
38 . 1 1 11 11 GLU HA H 1 4.367 0.004 . 1 . . . . 2814 Glu HA . 16966 1
39 . 1 1 11 11 GLU HB2 H 1 1.857 0.010 . 1 . . . . 2814 Glu HB2 . 16966 1
40 . 1 1 11 11 GLU C C 13 177.119 0.200 . 1 . . . . 2814 Glu C . 16966 1
41 . 1 1 11 11 GLU CA C 13 55.858 0.073 . 1 . . . . 2814 Glu CA . 16966 1
42 . 1 1 11 11 GLU CB C 13 29.953 0.055 . 1 . . . . 2814 Glu CB . 16966 1
43 . 1 1 11 11 GLU N N 15 118.045 0.124 . 1 . . . . 2814 Glu N . 16966 1
44 . 1 1 12 12 MET H H 1 7.707 0.015 . 1 . . . . 2815 Met H . 16966 1
45 . 1 1 12 12 MET HA H 1 4.529 0.008 . 1 . . . . 2815 Met HA . 16966 1
46 . 1 1 12 12 MET C C 13 178.041 0.200 . 1 . . . . 2815 Met C . 16966 1
47 . 1 1 12 12 MET CA C 13 56.454 0.076 . 1 . . . . 2815 Met CA . 16966 1
48 . 1 1 12 12 MET CB C 13 34.810 0.121 . 1 . . . . 2815 Met CB . 16966 1
49 . 1 1 12 12 MET N N 15 120.743 0.038 . 1 . . . . 2815 Met N . 16966 1
50 . 1 1 13 13 THR H H 1 8.903 0.007 . 1 . . . . 2816 Thr H . 16966 1
51 . 1 1 13 13 THR HA H 1 4.468 0.010 . 1 . . . . 2816 Thr HA . 16966 1
52 . 1 1 13 13 THR HG21 H 1 1.372 0.010 . 1 . . . . 2816 Thr HG21 . 16966 1
53 . 1 1 13 13 THR HG22 H 1 1.372 0.010 . 1 . . . . 2816 Thr HG22 . 16966 1
54 . 1 1 13 13 THR HG23 H 1 1.372 0.010 . 1 . . . . 2816 Thr HG23 . 16966 1
55 . 1 1 13 13 THR CA C 13 60.883 0.002 . 1 . . . . 2816 Thr CA . 16966 1
56 . 1 1 13 13 THR CB C 13 71.058 0.200 . 1 . . . . 2816 Thr CB . 16966 1
57 . 1 1 13 13 THR N N 15 113.422 0.046 . 1 . . . . 2816 Thr N . 16966 1
58 . 1 1 14 14 SER HA H 1 3.943 0.010 . 1 . . . . 2817 Ser HA . 16966 1
59 . 1 1 14 14 SER C C 13 177.186 0.200 . 1 . . . . 2817 Ser C . 16966 1
60 . 1 1 14 14 SER CA C 13 59.734 0.200 . 1 . . . . 2817 Ser CA . 16966 1
61 . 1 1 14 14 SER CB C 13 63.232 0.200 . 1 . . . . 2817 Ser CB . 16966 1
62 . 1 1 15 15 GLN H H 1 8.456 0.017 . 1 . . . . 2818 Gln H . 16966 1
63 . 1 1 15 15 GLN HA H 1 4.074 0.007 . 1 . . . . 2818 Gln HA . 16966 1
64 . 1 1 15 15 GLN HB2 H 1 1.958 0.010 . 1 . . . . 2818 Gln HB2 . 16966 1
65 . 1 1 15 15 GLN C C 13 178.996 0.200 . 1 . . . . 2818 Gln C . 16966 1
66 . 1 1 15 15 GLN CA C 13 58.871 0.131 . 1 . . . . 2818 Gln CA . 16966 1
67 . 1 1 15 15 GLN CB C 13 27.873 0.013 . 1 . . . . 2818 Gln CB . 16966 1
68 . 1 1 15 15 GLN N N 15 121.678 0.166 . 1 . . . . 2818 Gln N . 16966 1
69 . 1 1 16 16 GLU H H 1 7.771 0.005 . 1 . . . . 2819 Glu H . 16966 1
70 . 1 1 16 16 GLU HA H 1 4.087 0.018 . 1 . . . . 2819 Glu HA . 16966 1
71 . 1 1 16 16 GLU HB2 H 1 1.948 0.010 . 2 . . . . 2819 Glu HB2 . 16966 1
72 . 1 1 16 16 GLU HB3 H 1 2.050 0.010 . 2 . . . . 2819 Glu HB3 . 16966 1
73 . 1 1 16 16 GLU C C 13 180.549 0.200 . 1 . . . . 2819 Glu C . 16966 1
74 . 1 1 16 16 GLU CA C 13 59.004 0.046 . 1 . . . . 2819 Glu CA . 16966 1
75 . 1 1 16 16 GLU CB C 13 29.865 0.135 . 1 . . . . 2819 Glu CB . 16966 1
76 . 1 1 16 16 GLU N N 15 119.858 0.047 . 1 . . . . 2819 Glu N . 16966 1
77 . 1 1 17 17 LEU H H 1 8.855 0.006 . 1 . . . . 2820 Leu H . 16966 1
78 . 1 1 17 17 LEU HA H 1 4.371 0.007 . 1 . . . . 2820 Leu HA . 16966 1
79 . 1 1 17 17 LEU HB2 H 1 1.592 0.010 . 2 . . . . 2820 Leu HB2 . 16966 1
80 . 1 1 17 17 LEU HB3 H 1 1.842 0.010 . 2 . . . . 2820 Leu HB3 . 16966 1
81 . 1 1 17 17 LEU C C 13 180.962 0.200 . 1 . . . . 2820 Leu C . 16966 1
82 . 1 1 17 17 LEU CA C 13 57.753 0.084 . 1 . . . . 2820 Leu CA . 16966 1
83 . 1 1 17 17 LEU CB C 13 41.834 0.169 . 1 . . . . 2820 Leu CB . 16966 1
84 . 1 1 17 17 LEU N N 15 121.860 0.045 . 1 . . . . 2820 Leu N . 16966 1
85 . 1 1 18 18 LEU H H 1 8.229 0.009 . 1 . . . . 2821 Leu H . 16966 1
86 . 1 1 18 18 LEU HA H 1 4.033 0.007 . 1 . . . . 2821 Leu HA . 16966 1
87 . 1 1 18 18 LEU HB2 H 1 2.201 0.009 . 1 . . . . 2821 Leu HB2 . 16966 1
88 . 1 1 18 18 LEU C C 13 178.732 0.200 . 1 . . . . 2821 Leu C . 16966 1
89 . 1 1 18 18 LEU CA C 13 58.974 0.041 . 1 . . . . 2821 Leu CA . 16966 1
90 . 1 1 18 18 LEU CB C 13 41.351 0.165 . 1 . . . . 2821 Leu CB . 16966 1
91 . 1 1 18 18 LEU N N 15 124.991 0.072 . 1 . . . . 2821 Leu N . 16966 1
92 . 1 1 19 19 GLU H H 1 8.081 0.006 . 1 . . . . 2822 Glu H . 16966 1
93 . 1 1 19 19 GLU HA H 1 4.173 0.021 . 1 . . . . 2822 Glu HA . 16966 1
94 . 1 1 19 19 GLU HB2 H 1 2.209 0.005 . 1 . . . . 2822 Glu HB2 . 16966 1
95 . 1 1 19 19 GLU HG2 H 1 2.415 0.010 . 2 . . . . 2822 Glu HG2 . 16966 1
96 . 1 1 19 19 GLU HG3 H 1 2.622 0.010 . 2 . . . . 2822 Glu HG3 . 16966 1
97 . 1 1 19 19 GLU C C 13 180.096 0.200 . 1 . . . . 2822 Glu C . 16966 1
98 . 1 1 19 19 GLU CA C 13 59.842 0.053 . 1 . . . . 2822 Glu CA . 16966 1
99 . 1 1 19 19 GLU CB C 13 29.536 0.165 . 1 . . . . 2822 Glu CB . 16966 1
100 . 1 1 19 19 GLU N N 15 118.807 0.049 . 1 . . . . 2822 Glu N . 16966 1
101 . 1 1 20 20 PHE H H 1 8.894 0.009 . 1 . . . . 2823 Phe H . 16966 1
102 . 1 1 20 20 PHE HA H 1 4.444 0.023 . 1 . . . . 2823 Phe HA . 16966 1
103 . 1 1 20 20 PHE HB2 H 1 3.413 0.002 . 1 . . . . 2823 Phe HB2 . 16966 1
104 . 1 1 20 20 PHE C C 13 178.739 0.200 . 1 . . . . 2823 Phe C . 16966 1
105 . 1 1 20 20 PHE CA C 13 60.829 0.126 . 1 . . . . 2823 Phe CA . 16966 1
106 . 1 1 20 20 PHE CB C 13 40.219 0.040 . 1 . . . . 2823 Phe CB . 16966 1
107 . 1 1 20 20 PHE N N 15 122.358 0.064 . 1 . . . . 2823 Phe N . 16966 1
108 . 1 1 21 21 THR H H 1 8.808 0.008 . 1 . . . . 2824 Thr H . 16966 1
109 . 1 1 21 21 THR HA H 1 3.597 0.004 . 1 . . . . 2824 Thr HA . 16966 1
110 . 1 1 21 21 THR HB H 1 3.418 0.010 . 1 . . . . 2824 Thr HB . 16966 1
111 . 1 1 21 21 THR C C 13 176.524 0.200 . 1 . . . . 2824 Thr C . 16966 1
112 . 1 1 21 21 THR CA C 13 68.367 0.078 . 1 . . . . 2824 Thr CA . 16966 1
113 . 1 1 21 21 THR N N 15 119.018 0.065 . 1 . . . . 2824 Thr N . 16966 1
114 . 1 1 22 22 HIS H H 1 8.999 0.010 . 1 . . . . 2825 His H . 16966 1
115 . 1 1 22 22 HIS HA H 1 4.114 0.010 . 1 . . . . 2825 His HA . 16966 1
116 . 1 1 22 22 HIS HB2 H 1 3.356 0.010 . 2 . . . . 2825 His HB2 . 16966 1
117 . 1 1 22 22 HIS HB3 H 1 3.579 0.010 . 2 . . . . 2825 His HB3 . 16966 1
118 . 1 1 22 22 HIS C C 13 178.510 0.200 . 1 . . . . 2825 His C . 16966 1
119 . 1 1 22 22 HIS CA C 13 58.292 0.051 . 1 . . . . 2825 His CA . 16966 1
120 . 1 1 22 22 HIS CB C 13 32.975 0.116 . 1 . . . . 2825 His CB . 16966 1
121 . 1 1 22 22 HIS N N 15 122.041 0.068 . 1 . . . . 2825 His N . 16966 1
122 . 1 1 23 23 SER H H 1 8.485 0.009 . 1 . . . . 2826 Ser H . 16966 1
123 . 1 1 23 23 SER HA H 1 3.927 0.008 . 1 . . . . 2826 Ser HA . 16966 1
124 . 1 1 23 23 SER HB2 H 1 3.358 0.010 . 2 . . . . 2826 Ser HB2 . 16966 1
125 . 1 1 23 23 SER HB3 H 1 3.579 0.010 . 2 . . . . 2826 Ser HB3 . 16966 1
126 . 1 1 23 23 SER C C 13 177.897 0.200 . 1 . . . . 2826 Ser C . 16966 1
127 . 1 1 23 23 SER CA C 13 62.111 0.043 . 1 . . . . 2826 Ser CA . 16966 1
128 . 1 1 23 23 SER CB C 13 62.605 0.200 . 1 . . . . 2826 Ser CB . 16966 1
129 . 1 1 23 23 SER N N 15 112.285 0.094 . 1 . . . . 2826 Ser N . 16966 1
130 . 1 1 24 24 HIS H H 1 7.834 0.011 . 1 . . . . 2827 His H . 16966 1
131 . 1 1 24 24 HIS HA H 1 4.097 0.001 . 1 . . . . 2827 His HA . 16966 1
132 . 1 1 24 24 HIS HB2 H 1 2.734 0.006 . 2 . . . . 2827 His HB2 . 16966 1
133 . 1 1 24 24 HIS HB3 H 1 2.887 0.001 . 2 . . . . 2827 His HB3 . 16966 1
134 . 1 1 24 24 HIS C C 13 176.364 0.200 . 1 . . . . 2827 His C . 16966 1
135 . 1 1 24 24 HIS CA C 13 61.371 0.088 . 1 . . . . 2827 His CA . 16966 1
136 . 1 1 24 24 HIS CB C 13 30.296 0.075 . 1 . . . . 2827 His CB . 16966 1
137 . 1 1 24 24 HIS N N 15 120.648 0.082 . 1 . . . . 2827 His N . 16966 1
138 . 1 1 25 25 VAL H H 1 8.490 0.008 . 1 . . . . 2828 Val H . 16966 1
139 . 1 1 25 25 VAL HA H 1 3.627 0.007 . 1 . . . . 2828 Val HA . 16966 1
140 . 1 1 25 25 VAL HB H 1 2.360 0.008 . 1 . . . . 2828 Val HB . 16966 1
141 . 1 1 25 25 VAL HG11 H 1 0.986 0.009 . 2 . . . . 2828 Val HG11 . 16966 1
142 . 1 1 25 25 VAL HG12 H 1 0.986 0.009 . 2 . . . . 2828 Val HG12 . 16966 1
143 . 1 1 25 25 VAL HG13 H 1 0.986 0.009 . 2 . . . . 2828 Val HG13 . 16966 1
144 . 1 1 25 25 VAL HG21 H 1 1.206 0.004 . 2 . . . . 2828 Val HG21 . 16966 1
145 . 1 1 25 25 VAL HG22 H 1 1.206 0.004 . 2 . . . . 2828 Val HG22 . 16966 1
146 . 1 1 25 25 VAL HG23 H 1 1.206 0.004 . 2 . . . . 2828 Val HG23 . 16966 1
147 . 1 1 25 25 VAL C C 13 176.850 0.200 . 1 . . . . 2828 Val C . 16966 1
148 . 1 1 25 25 VAL CA C 13 66.895 0.099 . 1 . . . . 2828 Val CA . 16966 1
149 . 1 1 25 25 VAL CB C 13 31.736 0.174 . 1 . . . . 2828 Val CB . 16966 1
150 . 1 1 25 25 VAL N N 15 120.699 0.115 . 1 . . . . 2828 Val N . 16966 1
151 . 1 1 26 26 ALA H H 1 8.098 0.005 . 1 . . . . 2829 Ala H . 16966 1
152 . 1 1 26 26 ALA HA H 1 3.950 0.004 . 1 . . . . 2829 Ala HA . 16966 1
153 . 1 1 26 26 ALA HB1 H 1 1.378 0.007 . 1 . . . . 2829 Ala HB1 . 16966 1
154 . 1 1 26 26 ALA HB2 H 1 1.378 0.007 . 1 . . . . 2829 Ala HB2 . 16966 1
155 . 1 1 26 26 ALA HB3 H 1 1.378 0.007 . 1 . . . . 2829 Ala HB3 . 16966 1
156 . 1 1 26 26 ALA C C 13 179.483 0.200 . 1 . . . . 2829 Ala C . 16966 1
157 . 1 1 26 26 ALA CA C 13 55.822 0.045 . 1 . . . . 2829 Ala CA . 16966 1
158 . 1 1 26 26 ALA CB C 13 18.147 0.154 . 1 . . . . 2829 Ala CB . 16966 1
159 . 1 1 26 26 ALA N N 15 117.874 0.043 . 1 . . . . 2829 Ala N . 16966 1
160 . 1 1 27 27 ALA H H 1 8.018 0.007 . 1 . . . . 2830 Ala H . 16966 1
161 . 1 1 27 27 ALA HA H 1 4.154 0.010 . 1 . . . . 2830 Ala HA . 16966 1
162 . 1 1 27 27 ALA HB1 H 1 1.393 0.010 . 1 . . . . 2830 Ala HB1 . 16966 1
163 . 1 1 27 27 ALA HB2 H 1 1.393 0.010 . 1 . . . . 2830 Ala HB2 . 16966 1
164 . 1 1 27 27 ALA HB3 H 1 1.393 0.010 . 1 . . . . 2830 Ala HB3 . 16966 1
165 . 1 1 27 27 ALA C C 13 178.526 0.200 . 1 . . . . 2830 Ala C . 16966 1
166 . 1 1 27 27 ALA CA C 13 54.926 0.067 . 1 . . . . 2830 Ala CA . 16966 1
167 . 1 1 27 27 ALA CB C 13 18.409 0.065 . 1 . . . . 2830 Ala CB . 16966 1
168 . 1 1 27 27 ALA N N 15 116.765 0.042 . 1 . . . . 2830 Ala N . 16966 1
169 . 1 1 28 28 ILE H H 1 8.046 0.004 . 1 . . . . 2831 Ile H . 16966 1
170 . 1 1 28 28 ILE HA H 1 4.094 0.008 . 1 . . . . 2831 Ile HA . 16966 1
171 . 1 1 28 28 ILE HB H 1 1.974 0.009 . 1 . . . . 2831 Ile HB . 16966 1
172 . 1 1 28 28 ILE HG12 H 1 1.123 0.010 . 2 . . . . 2831 Ile HG12 . 16966 1
173 . 1 1 28 28 ILE HG13 H 1 1.406 0.010 . 2 . . . . 2831 Ile HG13 . 16966 1
174 . 1 1 28 28 ILE HG21 H 1 0.900 0.010 . 1 . . . . 2831 Ile HG21 . 16966 1
175 . 1 1 28 28 ILE HG22 H 1 0.900 0.010 . 1 . . . . 2831 Ile HG22 . 16966 1
176 . 1 1 28 28 ILE HG23 H 1 0.900 0.010 . 1 . . . . 2831 Ile HG23 . 16966 1
177 . 1 1 28 28 ILE C C 13 177.269 0.200 . 1 . . . . 2831 Ile C . 16966 1
178 . 1 1 28 28 ILE CA C 13 62.200 0.111 . 1 . . . . 2831 Ile CA . 16966 1
179 . 1 1 28 28 ILE CB C 13 37.801 0.079 . 1 . . . . 2831 Ile CB . 16966 1
180 . 1 1 28 28 ILE N N 15 120.259 0.054 . 1 . . . . 2831 Ile N . 16966 1
181 . 1 1 29 29 LEU H H 1 6.940 0.007 . 1 . . . . 2832 Leu H . 16966 1
182 . 1 1 29 29 LEU HA H 1 4.115 0.009 . 1 . . . . 2832 Leu HA . 16966 1
183 . 1 1 29 29 LEU HB2 H 1 1.456 0.013 . 2 . . . . 2832 Leu HB2 . 16966 1
184 . 1 1 29 29 LEU HB3 H 1 1.713 0.002 . 2 . . . . 2832 Leu HB3 . 16966 1
185 . 1 1 29 29 LEU HD11 H 1 0.072 0.010 . 2 . . . . 2832 Leu HD11 . 16966 1
186 . 1 1 29 29 LEU HD12 H 1 0.072 0.010 . 2 . . . . 2832 Leu HD12 . 16966 1
187 . 1 1 29 29 LEU HD13 H 1 0.072 0.010 . 2 . . . . 2832 Leu HD13 . 16966 1
188 . 1 1 29 29 LEU HD21 H 1 0.709 0.010 . 2 . . . . 2832 Leu HD21 . 16966 1
189 . 1 1 29 29 LEU HD22 H 1 0.709 0.010 . 2 . . . . 2832 Leu HD22 . 16966 1
190 . 1 1 29 29 LEU HD23 H 1 0.709 0.010 . 2 . . . . 2832 Leu HD23 . 16966 1
191 . 1 1 29 29 LEU HG H 1 1.123 0.010 . 1 . . . . 2832 Leu HG . 16966 1
192 . 1 1 29 29 LEU C C 13 177.348 0.200 . 1 . . . . 2832 Leu C . 16966 1
193 . 1 1 29 29 LEU CA C 13 54.368 0.076 . 1 . . . . 2832 Leu CA . 16966 1
194 . 1 1 29 29 LEU CB C 13 42.778 0.139 . 1 . . . . 2832 Leu CB . 16966 1
195 . 1 1 29 29 LEU N N 15 118.840 0.046 . 1 . . . . 2832 Leu N . 16966 1
196 . 1 1 30 30 GLY H H 1 7.707 0.005 . 1 . . . . 2833 Gly H . 16966 1
197 . 1 1 30 30 GLY HA2 H 1 3.630 0.004 . 2 . . . . 2833 Gly HA2 . 16966 1
198 . 1 1 30 30 GLY HA3 H 1 3.971 0.010 . 2 . . . . 2833 Gly HA3 . 16966 1
199 . 1 1 30 30 GLY C C 13 175.176 0.200 . 1 . . . . 2833 Gly C . 16966 1
200 . 1 1 30 30 GLY CA C 13 45.379 0.110 . 1 . . . . 2833 Gly CA . 16966 1
201 . 1 1 30 30 GLY N N 15 105.876 0.036 . 1 . . . . 2833 Gly N . 16966 1
202 . 1 1 31 31 HIS H H 1 7.917 0.005 . 1 . . . . 2834 His H . 16966 1
203 . 1 1 31 31 HIS HA H 1 4.797 0.010 . 1 . . . . 2834 His HA . 16966 1
204 . 1 1 31 31 HIS HB2 H 1 2.807 0.010 . 2 . . . . 2834 His HB2 . 16966 1
205 . 1 1 31 31 HIS HB3 H 1 3.105 0.010 . 2 . . . . 2834 His HB3 . 16966 1
206 . 1 1 31 31 HIS CA C 13 55.548 0.084 . 1 . . . . 2834 His CA . 16966 1
207 . 1 1 31 31 HIS CB C 13 32.245 0.200 . 1 . . . . 2834 His CB . 16966 1
208 . 1 1 31 31 HIS N N 15 119.101 0.056 . 1 . . . . 2834 His N . 16966 1
209 . 1 1 32 32 SER HA H 1 4.319 0.010 . 1 . . . . 2835 Ser HA . 16966 1
210 . 1 1 32 32 SER HB2 H 1 3.951 0.010 . 1 . . . . 2835 Ser HB2 . 16966 1
211 . 1 1 32 32 SER HB3 H 1 3.951 0.010 . 1 . . . . 2835 Ser HB3 . 16966 1
212 . 1 1 32 32 SER C C 13 174.363 0.200 . 1 . . . . 2835 Ser C . 16966 1
213 . 1 1 32 32 SER CA C 13 59.353 0.034 . 1 . . . . 2835 Ser CA . 16966 1
214 . 1 1 32 32 SER CB C 13 63.616 0.006 . 1 . . . . 2835 Ser CB . 16966 1
215 . 1 1 33 33 SER H H 1 7.628 0.004 . 1 . . . . 2836 Ser H . 16966 1
216 . 1 1 33 33 SER HA H 1 4.952 0.010 . 1 . . . . 2836 Ser HA . 16966 1
217 . 1 1 33 33 SER CA C 13 54.947 0.063 . 1 . . . . 2836 Ser CA . 16966 1
218 . 1 1 33 33 SER CB C 13 64.369 0.200 . 1 . . . . 2836 Ser CB . 16966 1
219 . 1 1 33 33 SER N N 15 114.801 0.042 . 1 . . . . 2836 Ser N . 16966 1
220 . 1 1 34 34 PRO HA H 1 3.922 0.003 . 1 . . . . 2837 Pro HA . 16966 1
221 . 1 1 34 34 PRO HB2 H 1 1.240 0.003 . 1 . . . . 2837 Pro HB2 . 16966 1
222 . 1 1 34 34 PRO C C 13 176.739 0.200 . 1 . . . . 2837 Pro C . 16966 1
223 . 1 1 34 34 PRO CA C 13 63.926 0.072 . 1 . . . . 2837 Pro CA . 16966 1
224 . 1 1 34 34 PRO CB C 13 30.115 0.130 . 1 . . . . 2837 Pro CB . 16966 1
225 . 1 1 35 35 ASP H H 1 7.740 0.004 . 1 . . . . 2838 Asp H . 16966 1
226 . 1 1 35 35 ASP HA H 1 4.297 0.007 . 1 . . . . 2838 Asp HA . 16966 1
227 . 1 1 35 35 ASP HB2 H 1 2.525 0.005 . 2 . . . . 2838 Asp HB2 . 16966 1
228 . 1 1 35 35 ASP HB3 H 1 2.619 0.006 . 2 . . . . 2838 Asp HB3 . 16966 1
229 . 1 1 35 35 ASP C C 13 176.900 0.200 . 1 . . . . 2838 Asp C . 16966 1
230 . 1 1 35 35 ASP CA C 13 55.966 0.026 . 1 . . . . 2838 Asp CA . 16966 1
231 . 1 1 35 35 ASP CB C 13 40.040 0.080 . 1 . . . . 2838 Asp CB . 16966 1
232 . 1 1 35 35 ASP N N 15 113.726 0.035 . 1 . . . . 2838 Asp N . 16966 1
233 . 1 1 36 36 ALA H H 1 7.367 0.005 . 1 . . . . 2839 Ala H . 16966 1
234 . 1 1 36 36 ALA HA H 1 4.063 0.002 . 1 . . . . 2839 Ala HA . 16966 1
235 . 1 1 36 36 ALA HB1 H 1 1.016 0.003 . 1 . . . . 2839 Ala HB1 . 16966 1
236 . 1 1 36 36 ALA HB2 H 1 1.016 0.003 . 1 . . . . 2839 Ala HB2 . 16966 1
237 . 1 1 36 36 ALA HB3 H 1 1.016 0.003 . 1 . . . . 2839 Ala HB3 . 16966 1
238 . 1 1 36 36 ALA C C 13 177.535 0.200 . 1 . . . . 2839 Ala C . 16966 1
239 . 1 1 36 36 ALA CA C 13 53.299 0.055 . 1 . . . . 2839 Ala CA . 16966 1
240 . 1 1 36 36 ALA CB C 13 19.218 0.128 . 1 . . . . 2839 Ala CB . 16966 1
241 . 1 1 36 36 ALA N N 15 119.482 0.040 . 1 . . . . 2839 Ala N . 16966 1
242 . 1 1 37 37 VAL H H 1 7.982 0.004 . 1 . . . . 2840 Val H . 16966 1
243 . 1 1 37 37 VAL HA H 1 4.356 0.011 . 1 . . . . 2840 Val HA . 16966 1
244 . 1 1 37 37 VAL HB H 1 2.127 0.010 . 1 . . . . 2840 Val HB . 16966 1
245 . 1 1 37 37 VAL HG11 H 1 0.862 0.010 . 2 . . . . 2840 Val HG11 . 16966 1
246 . 1 1 37 37 VAL HG12 H 1 0.862 0.010 . 2 . . . . 2840 Val HG12 . 16966 1
247 . 1 1 37 37 VAL HG13 H 1 0.862 0.010 . 2 . . . . 2840 Val HG13 . 16966 1
248 . 1 1 37 37 VAL HG21 H 1 1.010 0.010 . 2 . . . . 2840 Val HG21 . 16966 1
249 . 1 1 37 37 VAL HG22 H 1 1.010 0.010 . 2 . . . . 2840 Val HG22 . 16966 1
250 . 1 1 37 37 VAL HG23 H 1 1.010 0.010 . 2 . . . . 2840 Val HG23 . 16966 1
251 . 1 1 37 37 VAL C C 13 176.496 0.200 . 1 . . . . 2840 Val C . 16966 1
252 . 1 1 37 37 VAL CA C 13 60.090 0.056 . 1 . . . . 2840 Val CA . 16966 1
253 . 1 1 37 37 VAL CB C 13 35.253 0.064 . 1 . . . . 2840 Val CB . 16966 1
254 . 1 1 37 37 VAL N N 15 115.509 0.043 . 1 . . . . 2840 Val N . 16966 1
255 . 1 1 38 38 GLY H H 1 9.078 0.004 . 1 . . . . 2841 Gly H . 16966 1
256 . 1 1 38 38 GLY HA2 H 1 3.901 0.002 . 2 . . . . 2841 Gly HA2 . 16966 1
257 . 1 1 38 38 GLY HA3 H 1 4.360 0.003 . 2 . . . . 2841 Gly HA3 . 16966 1
258 . 1 1 38 38 GLY CA C 13 45.544 0.082 . 1 . . . . 2841 Gly CA . 16966 1
259 . 1 1 38 38 GLY N N 15 114.904 0.046 . 1 . . . . 2841 Gly N . 16966 1
260 . 1 1 39 39 GLN HA H 1 3.589 0.010 . 1 . . . . 2842 Gln HA . 16966 1
261 . 1 1 39 39 GLN HB2 H 1 1.704 0.010 . 1 . . . . 2842 Gln HB2 . 16966 1
262 . 1 1 39 39 GLN C C 13 174.829 0.200 . 1 . . . . 2842 Gln C . 16966 1
263 . 1 1 39 39 GLN CA C 13 59.078 0.043 . 1 . . . . 2842 Gln CA . 16966 1
264 . 1 1 39 39 GLN CB C 13 28.032 0.136 . 1 . . . . 2842 Gln CB . 16966 1
265 . 1 1 40 40 ASP H H 1 8.404 0.004 . 1 . . . . 2843 Asp H . 16966 1
266 . 1 1 40 40 ASP HA H 1 5.022 0.003 . 1 . . . . 2843 Asp HA . 16966 1
267 . 1 1 40 40 ASP HB2 H 1 2.342 0.012 . 1 . . . . 2843 Asp HB2 . 16966 1
268 . 1 1 40 40 ASP HB3 H 1 2.342 0.012 . 1 . . . . 2843 Asp HB3 . 16966 1
269 . 1 1 40 40 ASP C C 13 175.176 0.200 . 1 . . . . 2843 Asp C . 16966 1
270 . 1 1 40 40 ASP CA C 13 52.814 0.116 . 1 . . . . 2843 Asp CA . 16966 1
271 . 1 1 40 40 ASP CB C 13 42.294 0.085 . 1 . . . . 2843 Asp CB . 16966 1
272 . 1 1 40 40 ASP N N 15 113.416 0.045 . 1 . . . . 2843 Asp N . 16966 1
273 . 1 1 41 41 GLN H H 1 7.016 0.006 . 1 . . . . 2844 Gln H . 16966 1
274 . 1 1 41 41 GLN HA H 1 4.584 0.010 . 1 . . . . 2844 Gln HA . 16966 1
275 . 1 1 41 41 GLN HB2 H 1 2.165 0.010 . 1 . . . . 2844 Gln HB2 . 16966 1
276 . 1 1 41 41 GLN HG2 H 1 1.935 0.010 . 1 . . . . 2844 Gln HG2 . 16966 1
277 . 1 1 41 41 GLN CA C 13 53.376 0.200 . 1 . . . . 2844 Gln CA . 16966 1
278 . 1 1 41 41 GLN CB C 13 30.000 0.200 . 1 . . . . 2844 Gln CB . 16966 1
279 . 1 1 41 41 GLN N N 15 123.289 0.059 . 1 . . . . 2844 Gln N . 16966 1
280 . 1 1 42 42 PRO HA H 1 4.692 0.021 . 1 . . . . 2845 Pro HA . 16966 1
281 . 1 1 42 42 PRO C C 13 180.491 0.200 . 1 . . . . 2845 Pro C . 16966 1
282 . 1 1 42 42 PRO CA C 13 62.600 0.059 . 1 . . . . 2845 Pro CA . 16966 1
283 . 1 1 42 42 PRO CB C 13 32.704 0.199 . 1 . . . . 2845 Pro CB . 16966 1
284 . 1 1 43 43 PHE H H 1 9.147 0.014 . 1 . . . . 2846 Phe H . 16966 1
285 . 1 1 43 43 PHE HB2 H 1 2.972 0.010 . 1 . . . . 2846 Phe HB2 . 16966 1
286 . 1 1 43 43 PHE HB3 H 1 2.972 0.010 . 1 . . . . 2846 Phe HB3 . 16966 1
287 . 1 1 43 43 PHE CA C 13 57.527 0.077 . 1 . . . . 2846 Phe CA . 16966 1
288 . 1 1 43 43 PHE N N 15 123.002 0.116 . 1 . . . . 2846 Phe N . 16966 1
289 . 1 1 44 44 THR HA H 1 4.467 0.004 . 1 . . . . 2847 Thr HA . 16966 1
290 . 1 1 44 44 THR HB H 1 4.388 0.006 . 1 . . . . 2847 Thr HB . 16966 1
291 . 1 1 44 44 THR C C 13 177.601 0.200 . 1 . . . . 2847 Thr C . 16966 1
292 . 1 1 44 44 THR CA C 13 64.238 0.065 . 1 . . . . 2847 Thr CA . 16966 1
293 . 1 1 44 44 THR CB C 13 68.062 0.026 . 1 . . . . 2847 Thr CB . 16966 1
294 . 1 1 45 45 GLU H H 1 7.830 0.007 . 1 . . . . 2848 Glu H . 16966 1
295 . 1 1 45 45 GLU HA H 1 4.496 0.009 . 1 . . . . 2848 Glu HA . 16966 1
296 . 1 1 45 45 GLU HB2 H 1 2.185 0.010 . 2 . . . . 2848 Glu HB2 . 16966 1
297 . 1 1 45 45 GLU HB3 H 1 2.312 0.010 . 2 . . . . 2848 Glu HB3 . 16966 1
298 . 1 1 45 45 GLU HG2 H 1 2.379 0.010 . 1 . . . . 2848 Glu HG2 . 16966 1
299 . 1 1 45 45 GLU HG3 H 1 2.379 0.010 . 1 . . . . 2848 Glu HG3 . 16966 1
300 . 1 1 45 45 GLU C C 13 178.359 0.200 . 1 . . . . 2848 Glu C . 16966 1
301 . 1 1 45 45 GLU CA C 13 57.196 0.069 . 1 . . . . 2848 Glu CA . 16966 1
302 . 1 1 45 45 GLU CB C 13 30.459 0.137 . 1 . . . . 2848 Glu CB . 16966 1
303 . 1 1 45 45 GLU N N 15 119.777 0.039 . 1 . . . . 2848 Glu N . 16966 1
304 . 1 1 46 46 LEU H H 1 7.600 0.004 . 1 . . . . 2849 Leu H . 16966 1
305 . 1 1 46 46 LEU HA H 1 4.479 0.007 . 1 . . . . 2849 Leu HA . 16966 1
306 . 1 1 46 46 LEU HB2 H 1 1.829 0.010 . 2 . . . . 2849 Leu HB2 . 16966 1
307 . 1 1 46 46 LEU HB3 H 1 1.969 0.003 . 2 . . . . 2849 Leu HB3 . 16966 1
308 . 1 1 46 46 LEU C C 13 177.819 0.200 . 1 . . . . 2849 Leu C . 16966 1
309 . 1 1 46 46 LEU CA C 13 55.042 0.067 . 1 . . . . 2849 Leu CA . 16966 1
310 . 1 1 46 46 LEU CB C 13 43.448 0.049 . 1 . . . . 2849 Leu CB . 16966 1
311 . 1 1 46 46 LEU N N 15 117.116 0.044 . 1 . . . . 2849 Leu N . 16966 1
312 . 1 1 47 47 GLY H H 1 7.922 0.012 . 1 . . . . 2850 Gly H . 16966 1
313 . 1 1 47 47 GLY HA2 H 1 3.914 0.018 . 2 . . . . 2850 Gly HA2 . 16966 1
314 . 1 1 47 47 GLY HA3 H 1 4.068 0.015 . 2 . . . . 2850 Gly HA3 . 16966 1
315 . 1 1 47 47 GLY C C 13 176.767 0.200 . 1 . . . . 2850 Gly C . 16966 1
316 . 1 1 47 47 GLY CA C 13 46.398 0.127 . 1 . . . . 2850 Gly CA . 16966 1
317 . 1 1 47 47 GLY N N 15 105.115 0.098 . 1 . . . . 2850 Gly N . 16966 1
318 . 1 1 48 48 PHE H H 1 8.003 0.009 . 1 . . . . 2851 Phe H . 16966 1
319 . 1 1 48 48 PHE HA H 1 4.120 0.009 . 1 . . . . 2851 Phe HA . 16966 1
320 . 1 1 48 48 PHE HB2 H 1 2.879 0.009 . 1 . . . . 2851 Phe HB2 . 16966 1
321 . 1 1 48 48 PHE HB3 H 1 2.879 0.009 . 1 . . . . 2851 Phe HB3 . 16966 1
322 . 1 1 48 48 PHE C C 13 176.294 0.200 . 1 . . . . 2851 Phe C . 16966 1
323 . 1 1 48 48 PHE CA C 13 60.557 0.068 . 1 . . . . 2851 Phe CA . 16966 1
324 . 1 1 48 48 PHE CB C 13 40.331 0.111 . 1 . . . . 2851 Phe CB . 16966 1
325 . 1 1 48 48 PHE N N 15 118.798 0.091 . 1 . . . . 2851 Phe N . 16966 1
326 . 1 1 49 49 ASP H H 1 8.032 0.013 . 1 . . . . 2852 Asp H . 16966 1
327 . 1 1 49 49 ASP HA H 1 4.902 0.010 . 1 . . . . 2852 Asp HA . 16966 1
328 . 1 1 49 49 ASP C C 13 178.342 0.200 . 1 . . . . 2852 Asp C . 16966 1
329 . 1 1 49 49 ASP CA C 13 52.465 0.127 . 1 . . . . 2852 Asp CA . 16966 1
330 . 1 1 49 49 ASP CB C 13 42.427 0.127 . 1 . . . . 2852 Asp CB . 16966 1
331 . 1 1 49 49 ASP N N 15 120.786 0.117 . 1 . . . . 2852 Asp N . 16966 1
332 . 1 1 50 50 SER H H 1 8.036 0.007 . 1 . . . . 2853 Ser H . 16966 1
333 . 1 1 50 50 SER HA H 1 4.131 0.016 . 1 . . . . 2853 Ser HA . 16966 1
334 . 1 1 50 50 SER HB2 H 1 4.003 0.009 . 1 . . . . 2853 Ser HB2 . 16966 1
335 . 1 1 50 50 SER HB3 H 1 4.003 0.009 . 1 . . . . 2853 Ser HB3 . 16966 1
336 . 1 1 50 50 SER C C 13 177.076 0.200 . 1 . . . . 2853 Ser C . 16966 1
337 . 1 1 50 50 SER CA C 13 62.469 0.060 . 1 . . . . 2853 Ser CA . 16966 1
338 . 1 1 50 50 SER CB C 13 62.981 0.052 . 1 . . . . 2853 Ser CB . 16966 1
339 . 1 1 50 50 SER N N 15 118.622 0.070 . 1 . . . . 2853 Ser N . 16966 1
340 . 1 1 51 51 LEU H H 1 8.174 0.030 . 1 . . . . 2854 Leu H . 16966 1
341 . 1 1 51 51 LEU HA H 1 4.314 0.012 . 1 . . . . 2854 Leu HA . 16966 1
342 . 1 1 51 51 LEU HB2 H 1 1.699 0.004 . 2 . . . . 2854 Leu HB2 . 16966 1
343 . 1 1 51 51 LEU HB3 H 1 2.000 0.001 . 2 . . . . 2854 Leu HB3 . 16966 1
344 . 1 1 51 51 LEU C C 13 181.712 0.200 . 1 . . . . 2854 Leu C . 16966 1
345 . 1 1 51 51 LEU CA C 13 57.915 0.094 . 1 . . . . 2854 Leu CA . 16966 1
346 . 1 1 51 51 LEU CB C 13 41.488 0.192 . 1 . . . . 2854 Leu CB . 16966 1
347 . 1 1 51 51 LEU N N 15 121.697 0.149 . 1 . . . . 2854 Leu N . 16966 1
348 . 1 1 52 52 THR H H 1 8.812 0.014 . 1 . . . . 2855 Thr H . 16966 1
349 . 1 1 52 52 THR HA H 1 4.061 0.003 . 1 . . . . 2855 Thr HA . 16966 1
350 . 1 1 52 52 THR HG21 H 1 1.132 0.010 . 1 . . . . 2855 Thr HG21 . 16966 1
351 . 1 1 52 52 THR HG22 H 1 1.132 0.010 . 1 . . . . 2855 Thr HG22 . 16966 1
352 . 1 1 52 52 THR HG23 H 1 1.132 0.010 . 1 . . . . 2855 Thr HG23 . 16966 1
353 . 1 1 52 52 THR C C 13 177.986 0.200 . 1 . . . . 2855 Thr C . 16966 1
354 . 1 1 52 52 THR CA C 13 65.197 0.081 . 1 . . . . 2855 Thr CA . 16966 1
355 . 1 1 52 52 THR CB C 13 68.940 0.057 . 1 . . . . 2855 Thr CB . 16966 1
356 . 1 1 52 52 THR N N 15 115.664 0.045 . 1 . . . . 2855 Thr N . 16966 1
357 . 1 1 53 53 ALA H H 1 8.815 0.011 . 1 . . . . 2856 Ala H . 16966 1
358 . 1 1 53 53 ALA HA H 1 3.973 0.003 . 1 . . . . 2856 Ala HA . 16966 1
359 . 1 1 53 53 ALA HB1 H 1 1.409 0.008 . 1 . . . . 2856 Ala HB1 . 16966 1
360 . 1 1 53 53 ALA HB2 H 1 1.409 0.008 . 1 . . . . 2856 Ala HB2 . 16966 1
361 . 1 1 53 53 ALA HB3 H 1 1.409 0.008 . 1 . . . . 2856 Ala HB3 . 16966 1
362 . 1 1 53 53 ALA C C 13 181.656 0.200 . 1 . . . . 2856 Ala C . 16966 1
363 . 1 1 53 53 ALA CA C 13 56.011 0.045 . 1 . . . . 2856 Ala CA . 16966 1
364 . 1 1 53 53 ALA CB C 13 18.982 0.099 . 1 . . . . 2856 Ala CB . 16966 1
365 . 1 1 53 53 ALA N N 15 123.309 0.063 . 1 . . . . 2856 Ala N . 16966 1
366 . 1 1 54 54 VAL H H 1 7.759 0.018 . 1 . . . . 2857 Val H . 16966 1
367 . 1 1 54 54 VAL HA H 1 3.779 0.009 . 1 . . . . 2857 Val HA . 16966 1
368 . 1 1 54 54 VAL HB H 1 2.236 0.005 . 1 . . . . 2857 Val HB . 16966 1
369 . 1 1 54 54 VAL HG11 H 1 1.212 0.010 . 2 . . . . 2857 Val HG11 . 16966 1
370 . 1 1 54 54 VAL HG12 H 1 1.212 0.010 . 2 . . . . 2857 Val HG12 . 16966 1
371 . 1 1 54 54 VAL HG13 H 1 1.212 0.010 . 2 . . . . 2857 Val HG13 . 16966 1
372 . 1 1 54 54 VAL HG21 H 1 1.409 0.010 . 2 . . . . 2857 Val HG21 . 16966 1
373 . 1 1 54 54 VAL HG22 H 1 1.409 0.010 . 2 . . . . 2857 Val HG22 . 16966 1
374 . 1 1 54 54 VAL HG23 H 1 1.409 0.010 . 2 . . . . 2857 Val HG23 . 16966 1
375 . 1 1 54 54 VAL C C 13 178.435 0.200 . 1 . . . . 2857 Val C . 16966 1
376 . 1 1 54 54 VAL CA C 13 66.192 0.052 . 1 . . . . 2857 Val CA . 16966 1
377 . 1 1 54 54 VAL CB C 13 31.888 0.169 . 1 . . . . 2857 Val CB . 16966 1
378 . 1 1 54 54 VAL N N 15 119.287 0.047 . 1 . . . . 2857 Val N . 16966 1
379 . 1 1 55 55 GLY H H 1 8.397 0.017 . 1 . . . . 2858 Gly H . 16966 1
380 . 1 1 55 55 GLY HA2 H 1 3.962 0.014 . 1 . . . . 2858 Gly HA2 . 16966 1
381 . 1 1 55 55 GLY HA3 H 1 3.962 0.014 . 1 . . . . 2858 Gly HA3 . 16966 1
382 . 1 1 55 55 GLY C C 13 176.739 0.200 . 1 . . . . 2858 Gly C . 16966 1
383 . 1 1 55 55 GLY CA C 13 47.588 0.102 . 1 . . . . 2858 Gly CA . 16966 1
384 . 1 1 55 55 GLY N N 15 109.224 0.060 . 1 . . . . 2858 Gly N . 16966 1
385 . 1 1 56 56 LEU H H 1 8.512 0.003 . 1 . . . . 2859 Leu H . 16966 1
386 . 1 1 56 56 LEU HA H 1 4.145 0.007 . 1 . . . . 2859 Leu HA . 16966 1
387 . 1 1 56 56 LEU HB2 H 1 1.712 0.010 . 2 . . . . 2859 Leu HB2 . 16966 1
388 . 1 1 56 56 LEU HB3 H 1 1.954 0.010 . 2 . . . . 2859 Leu HB3 . 16966 1
389 . 1 1 56 56 LEU HD11 H 1 0.894 0.010 . 2 . . . . 2859 Leu HD11 . 16966 1
390 . 1 1 56 56 LEU HD12 H 1 0.894 0.010 . 2 . . . . 2859 Leu HD12 . 16966 1
391 . 1 1 56 56 LEU HD13 H 1 0.894 0.010 . 2 . . . . 2859 Leu HD13 . 16966 1
392 . 1 1 56 56 LEU HD21 H 1 1.121 0.022 . 2 . . . . 2859 Leu HD21 . 16966 1
393 . 1 1 56 56 LEU HD22 H 1 1.121 0.022 . 2 . . . . 2859 Leu HD22 . 16966 1
394 . 1 1 56 56 LEU HD23 H 1 1.121 0.022 . 2 . . . . 2859 Leu HD23 . 16966 1
395 . 1 1 56 56 LEU HG H 1 1.472 0.010 . 1 . . . . 2859 Leu HG . 16966 1
396 . 1 1 56 56 LEU C C 13 178.762 0.200 . 1 . . . . 2859 Leu C . 16966 1
397 . 1 1 56 56 LEU CA C 13 57.667 0.031 . 1 . . . . 2859 Leu CA . 16966 1
398 . 1 1 56 56 LEU CB C 13 41.163 0.164 . 1 . . . . 2859 Leu CB . 16966 1
399 . 1 1 56 56 LEU N N 15 121.938 0.054 . 1 . . . . 2859 Leu N . 16966 1
400 . 1 1 57 57 ARG H H 1 7.610 0.010 . 1 . . . . 2860 Arg H . 16966 1
401 . 1 1 57 57 ARG HA H 1 3.671 0.001 . 1 . . . . 2860 Arg HA . 16966 1
402 . 1 1 57 57 ARG HB2 H 1 2.005 0.010 . 2 . . . . 2860 Arg HB2 . 16966 1
403 . 1 1 57 57 ARG HB3 H 1 2.265 0.002 . 2 . . . . 2860 Arg HB3 . 16966 1
404 . 1 1 57 57 ARG HG2 H 1 1.941 0.010 . 1 . . . . 2860 Arg HG2 . 16966 1
405 . 1 1 57 57 ARG C C 13 179.545 0.200 . 1 . . . . 2860 Arg C . 16966 1
406 . 1 1 57 57 ARG CA C 13 60.606 0.056 . 1 . . . . 2860 Arg CA . 16966 1
407 . 1 1 57 57 ARG CB C 13 28.405 0.017 . 1 . . . . 2860 Arg CB . 16966 1
408 . 1 1 57 57 ARG N N 15 119.360 0.047 . 1 . . . . 2860 Arg N . 16966 1
409 . 1 1 58 58 ASN H H 1 9.094 0.008 . 1 . . . . 2861 Asn H . 16966 1
410 . 1 1 58 58 ASN HA H 1 4.455 0.007 . 1 . . . . 2861 Asn HA . 16966 1
411 . 1 1 58 58 ASN HB2 H 1 2.986 0.006 . 2 . . . . 2861 Asn HB2 . 16966 1
412 . 1 1 58 58 ASN HB3 H 1 3.128 0.003 . 2 . . . . 2861 Asn HB3 . 16966 1
413 . 1 1 58 58 ASN HD21 H 1 6.823 0.004 . 1 . . . . 2861 Asn HD21 . 16966 1
414 . 1 1 58 58 ASN HD22 H 1 7.373 0.004 . 1 . . . . 2861 Asn HD22 . 16966 1
415 . 1 1 58 58 ASN C C 13 176.475 0.200 . 1 . . . . 2861 Asn C . 16966 1
416 . 1 1 58 58 ASN CA C 13 56.149 0.051 . 1 . . . . 2861 Asn CA . 16966 1
417 . 1 1 58 58 ASN CB C 13 36.855 0.106 . 1 . . . . 2861 Asn CB . 16966 1
418 . 1 1 58 58 ASN N N 15 119.381 0.082 . 1 . . . . 2861 Asn N . 16966 1
419 . 1 1 58 58 ASN ND2 N 15 108.295 0.039 . 1 . . . . 2861 Asn ND2 . 16966 1
420 . 1 1 59 59 GLN H H 1 8.194 0.011 . 1 . . . . 2862 Gln H . 16966 1
421 . 1 1 59 59 GLN HA H 1 4.181 0.010 . 1 . . . . 2862 Gln HA . 16966 1
422 . 1 1 59 59 GLN HB2 H 1 2.259 0.006 . 1 . . . . 2862 Gln HB2 . 16966 1
423 . 1 1 59 59 GLN HE21 H 1 7.632 0.009 . 1 . . . . 2862 Gln HE21 . 16966 1
424 . 1 1 59 59 GLN HG2 H 1 2.536 0.010 . 1 . . . . 2862 Gln HG2 . 16966 1
425 . 1 1 59 59 GLN C C 13 180.418 0.200 . 1 . . . . 2862 Gln C . 16966 1
426 . 1 1 59 59 GLN CA C 13 58.836 0.137 . 1 . . . . 2862 Gln CA . 16966 1
427 . 1 1 59 59 GLN CB C 13 28.892 0.163 . 1 . . . . 2862 Gln CB . 16966 1
428 . 1 1 59 59 GLN CG C 13 33.736 0.200 . 1 . . . . 2862 Gln CG . 16966 1
429 . 1 1 59 59 GLN N N 15 120.358 0.073 . 1 . . . . 2862 Gln N . 16966 1
430 . 1 1 59 59 GLN NE2 N 15 111.963 0.192 . 1 . . . . 2862 Gln NE2 . 16966 1
431 . 1 1 60 60 LEU H H 1 8.500 0.006 . 1 . . . . 2863 Leu H . 16966 1
432 . 1 1 60 60 LEU HA H 1 4.009 0.013 . 1 . . . . 2863 Leu HA . 16966 1
433 . 1 1 60 60 LEU HB2 H 1 1.736 0.010 . 2 . . . . 2863 Leu HB2 . 16966 1
434 . 1 1 60 60 LEU HB3 H 1 1.893 0.005 . 2 . . . . 2863 Leu HB3 . 16966 1
435 . 1 1 60 60 LEU HD11 H 1 0.809 0.009 . 2 . . . . 2863 Leu HD11 . 16966 1
436 . 1 1 60 60 LEU HD12 H 1 0.809 0.009 . 2 . . . . 2863 Leu HD12 . 16966 1
437 . 1 1 60 60 LEU HD13 H 1 0.809 0.009 . 2 . . . . 2863 Leu HD13 . 16966 1
438 . 1 1 60 60 LEU HD21 H 1 0.889 0.010 . 2 . . . . 2863 Leu HD21 . 16966 1
439 . 1 1 60 60 LEU HD22 H 1 0.889 0.010 . 2 . . . . 2863 Leu HD22 . 16966 1
440 . 1 1 60 60 LEU HD23 H 1 0.889 0.010 . 2 . . . . 2863 Leu HD23 . 16966 1
441 . 1 1 60 60 LEU HG H 1 1.105 0.010 . 1 . . . . 2863 Leu HG . 16966 1
442 . 1 1 60 60 LEU C C 13 181.323 0.200 . 1 . . . . 2863 Leu C . 16966 1
443 . 1 1 60 60 LEU CA C 13 57.723 0.035 . 1 . . . . 2863 Leu CA . 16966 1
444 . 1 1 60 60 LEU CB C 13 41.397 0.010 . 1 . . . . 2863 Leu CB . 16966 1
445 . 1 1 60 60 LEU N N 15 118.509 0.054 . 1 . . . . 2863 Leu N . 16966 1
446 . 1 1 61 61 GLN H H 1 9.069 0.004 . 1 . . . . 2864 Gln H . 16966 1
447 . 1 1 61 61 GLN HA H 1 4.167 0.012 . 1 . . . . 2864 Gln HA . 16966 1
448 . 1 1 61 61 GLN HB2 H 1 2.222 0.010 . 2 . . . . 2864 Gln HB2 . 16966 1
449 . 1 1 61 61 GLN HB3 H 1 2.413 0.004 . 2 . . . . 2864 Gln HB3 . 16966 1
450 . 1 1 61 61 GLN HE21 H 1 6.882 0.016 . 1 . . . . 2864 Gln HE21 . 16966 1
451 . 1 1 61 61 GLN HE22 H 1 7.511 0.016 . 1 . . . . 2864 Gln HE22 . 16966 1
452 . 1 1 61 61 GLN HG2 H 1 1.897 0.010 . 2 . . . . 2864 Gln HG2 . 16966 1
453 . 1 1 61 61 GLN HG3 H 1 2.811 0.010 . 2 . . . . 2864 Gln HG3 . 16966 1
454 . 1 1 61 61 GLN C C 13 179.299 0.200 . 1 . . . . 2864 Gln C . 16966 1
455 . 1 1 61 61 GLN CA C 13 60.070 0.062 . 1 . . . . 2864 Gln CA . 16966 1
456 . 1 1 61 61 GLN CB C 13 29.268 0.158 . 1 . . . . 2864 Gln CB . 16966 1
457 . 1 1 61 61 GLN CG C 13 33.738 0.002 . 1 . . . . 2864 Gln CG . 16966 1
458 . 1 1 61 61 GLN N N 15 123.247 0.043 . 1 . . . . 2864 Gln N . 16966 1
459 . 1 1 61 61 GLN NE2 N 15 111.441 0.129 . 1 . . . . 2864 Gln NE2 . 16966 1
460 . 1 1 62 62 GLN H H 1 7.881 0.005 . 1 . . . . 2865 Gln H . 16966 1
461 . 1 1 62 62 GLN HA H 1 4.082 0.002 . 1 . . . . 2865 Gln HA . 16966 1
462 . 1 1 62 62 GLN HB2 H 1 2.242 0.007 . 1 . . . . 2865 Gln HB2 . 16966 1
463 . 1 1 62 62 GLN HG2 H 1 2.420 0.010 . 2 . . . . 2865 Gln HG2 . 16966 1
464 . 1 1 62 62 GLN HG3 H 1 2.521 0.010 . 2 . . . . 2865 Gln HG3 . 16966 1
465 . 1 1 62 62 GLN C C 13 178.692 0.200 . 1 . . . . 2865 Gln C . 16966 1
466 . 1 1 62 62 GLN CA C 13 58.751 0.084 . 1 . . . . 2865 Gln CA . 16966 1
467 . 1 1 62 62 GLN CB C 13 28.407 0.148 . 1 . . . . 2865 Gln CB . 16966 1
468 . 1 1 62 62 GLN N N 15 118.631 0.046 . 1 . . . . 2865 Gln N . 16966 1
469 . 1 1 63 63 ALA H H 1 7.755 0.008 . 1 . . . . 2866 Ala H . 16966 1
470 . 1 1 63 63 ALA HA H 1 4.383 0.007 . 1 . . . . 2866 Ala HA . 16966 1
471 . 1 1 63 63 ALA HB1 H 1 1.594 0.004 . 1 . . . . 2866 Ala HB1 . 16966 1
472 . 1 1 63 63 ALA HB2 H 1 1.594 0.004 . 1 . . . . 2866 Ala HB2 . 16966 1
473 . 1 1 63 63 ALA HB3 H 1 1.594 0.004 . 1 . . . . 2866 Ala HB3 . 16966 1
474 . 1 1 63 63 ALA C C 13 179.089 0.200 . 1 . . . . 2866 Ala C . 16966 1
475 . 1 1 63 63 ALA CA C 13 54.107 0.051 . 1 . . . . 2866 Ala CA . 16966 1
476 . 1 1 63 63 ALA CB C 13 20.321 0.197 . 1 . . . . 2866 Ala CB . 16966 1
477 . 1 1 63 63 ALA N N 15 116.796 0.062 . 1 . . . . 2866 Ala N . 16966 1
478 . 1 1 64 64 THR H H 1 7.712 0.006 . 1 . . . . 2867 Thr H . 16966 1
479 . 1 1 64 64 THR HA H 1 4.366 0.003 . 1 . . . . 2867 Thr HA . 16966 1
480 . 1 1 64 64 THR HB H 1 4.097 0.010 . 1 . . . . 2867 Thr HB . 16966 1
481 . 1 1 64 64 THR HG21 H 1 1.210 0.010 . 1 . . . . 2867 Thr HG21 . 16966 1
482 . 1 1 64 64 THR HG22 H 1 1.210 0.010 . 1 . . . . 2867 Thr HG22 . 16966 1
483 . 1 1 64 64 THR HG23 H 1 1.210 0.010 . 1 . . . . 2867 Thr HG23 . 16966 1
484 . 1 1 64 64 THR C C 13 176.192 0.200 . 1 . . . . 2867 Thr C . 16966 1
485 . 1 1 64 64 THR CA C 13 62.299 0.075 . 1 . . . . 2867 Thr CA . 16966 1
486 . 1 1 64 64 THR CB C 13 71.999 0.004 . 1 . . . . 2867 Thr CB . 16966 1
487 . 1 1 64 64 THR N N 15 102.363 0.084 . 1 . . . . 2867 Thr N . 16966 1
488 . 1 1 65 65 GLY H H 1 8.317 0.006 . 1 . . . . 2868 Gly H . 16966 1
489 . 1 1 65 65 GLY HA2 H 1 3.860 0.004 . 2 . . . . 2868 Gly HA2 . 16966 1
490 . 1 1 65 65 GLY HA3 H 1 4.153 0.009 . 2 . . . . 2868 Gly HA3 . 16966 1
491 . 1 1 65 65 GLY C C 13 174.446 0.200 . 1 . . . . 2868 Gly C . 16966 1
492 . 1 1 65 65 GLY CA C 13 45.886 0.129 . 1 . . . . 2868 Gly CA . 16966 1
493 . 1 1 65 65 GLY N N 15 110.928 0.054 . 1 . . . . 2868 Gly N . 16966 1
494 . 1 1 66 66 LEU H H 1 7.651 0.004 . 1 . . . . 2869 Leu H . 16966 1
495 . 1 1 66 66 LEU HA H 1 4.361 0.002 . 1 . . . . 2869 Leu HA . 16966 1
496 . 1 1 66 66 LEU HB2 H 1 1.431 0.010 . 2 . . . . 2869 Leu HB2 . 16966 1
497 . 1 1 66 66 LEU HB3 H 1 1.543 0.005 . 2 . . . . 2869 Leu HB3 . 16966 1
498 . 1 1 66 66 LEU HD11 H 1 0.821 0.007 . 1 . . . . 2869 Leu HD11 . 16966 1
499 . 1 1 66 66 LEU HD12 H 1 0.821 0.007 . 1 . . . . 2869 Leu HD12 . 16966 1
500 . 1 1 66 66 LEU HD13 H 1 0.821 0.007 . 1 . . . . 2869 Leu HD13 . 16966 1
501 . 1 1 66 66 LEU HG H 1 1.228 0.010 . 1 . . . . 2869 Leu HG . 16966 1
502 . 1 1 66 66 LEU C C 13 176.578 0.200 . 1 . . . . 2869 Leu C . 16966 1
503 . 1 1 66 66 LEU CA C 13 53.732 0.037 . 1 . . . . 2869 Leu CA . 16966 1
504 . 1 1 66 66 LEU CB C 13 43.855 0.125 . 1 . . . . 2869 Leu CB . 16966 1
505 . 1 1 66 66 LEU N N 15 119.922 0.044 . 1 . . . . 2869 Leu N . 16966 1
506 . 1 1 67 67 ALA H H 1 8.260 0.006 . 1 . . . . 2870 Ala H . 16966 1
507 . 1 1 67 67 ALA HA H 1 4.480 0.005 . 1 . . . . 2870 Ala HA . 16966 1
508 . 1 1 67 67 ALA HB1 H 1 1.308 0.009 . 1 . . . . 2870 Ala HB1 . 16966 1
509 . 1 1 67 67 ALA HB2 H 1 1.308 0.009 . 1 . . . . 2870 Ala HB2 . 16966 1
510 . 1 1 67 67 ALA HB3 H 1 1.308 0.009 . 1 . . . . 2870 Ala HB3 . 16966 1
511 . 1 1 67 67 ALA C C 13 177.633 0.200 . 1 . . . . 2870 Ala C . 16966 1
512 . 1 1 67 67 ALA CA C 13 51.295 0.102 . 1 . . . . 2870 Ala CA . 16966 1
513 . 1 1 67 67 ALA CB C 13 18.167 0.170 . 1 . . . . 2870 Ala CB . 16966 1
514 . 1 1 67 67 ALA N N 15 123.847 0.071 . 1 . . . . 2870 Ala N . 16966 1
515 . 1 1 68 68 LEU H H 1 8.964 0.008 . 1 . . . . 2871 Leu H . 16966 1
516 . 1 1 68 68 LEU HA H 1 5.011 0.010 . 1 . . . . 2871 Leu HA . 16966 1
517 . 1 1 68 68 LEU HB2 H 1 1.506 0.010 . 1 . . . . 2871 Leu HB2 . 16966 1
518 . 1 1 68 68 LEU CA C 13 51.372 0.018 . 1 . . . . 2871 Leu CA . 16966 1
519 . 1 1 68 68 LEU CB C 13 44.315 0.200 . 1 . . . . 2871 Leu CB . 16966 1
520 . 1 1 68 68 LEU N N 15 125.019 0.113 . 1 . . . . 2871 Leu N . 16966 1
521 . 1 1 69 69 PRO C C 13 177.325 0.200 . 1 . . . . 2872 Pro C . 16966 1
522 . 1 1 69 69 PRO CA C 13 62.863 0.025 . 1 . . . . 2872 Pro CA . 16966 1
523 . 1 1 69 69 PRO CB C 13 31.974 0.094 . 1 . . . . 2872 Pro CB . 16966 1
524 . 1 1 70 70 ALA H H 1 8.391 0.003 . 1 . . . . 2873 Ala H . 16966 1
525 . 1 1 70 70 ALA HA H 1 3.874 0.010 . 1 . . . . 2873 Ala HA . 16966 1
526 . 1 1 70 70 ALA HB1 H 1 1.510 0.019 . 1 . . . . 2873 Ala HB1 . 16966 1
527 . 1 1 70 70 ALA HB2 H 1 1.510 0.019 . 1 . . . . 2873 Ala HB2 . 16966 1
528 . 1 1 70 70 ALA HB3 H 1 1.510 0.019 . 1 . . . . 2873 Ala HB3 . 16966 1
529 . 1 1 70 70 ALA C C 13 179.568 0.200 . 1 . . . . 2873 Ala C . 16966 1
530 . 1 1 70 70 ALA CA C 13 55.324 0.060 . 1 . . . . 2873 Ala CA . 16966 1
531 . 1 1 70 70 ALA CB C 13 19.317 0.200 . 1 . . . . 2873 Ala CB . 16966 1
532 . 1 1 70 70 ALA N N 15 124.134 0.042 . 1 . . . . 2873 Ala N . 16966 1
533 . 1 1 71 71 THR H H 1 7.294 0.010 . 1 . . . . 2874 Thr H . 16966 1
534 . 1 1 71 71 THR HA H 1 4.821 0.013 . 1 . . . . 2874 Thr HA . 16966 1
535 . 1 1 71 71 THR HB H 1 4.226 0.010 . 1 . . . . 2874 Thr HB . 16966 1
536 . 1 1 71 71 THR C C 13 175.120 0.200 . 1 . . . . 2874 Thr C . 16966 1
537 . 1 1 71 71 THR CA C 13 61.190 0.141 . 1 . . . . 2874 Thr CA . 16966 1
538 . 1 1 71 71 THR CB C 13 68.253 0.200 . 1 . . . . 2874 Thr CB . 16966 1
539 . 1 1 71 71 THR N N 15 103.402 0.104 . 1 . . . . 2874 Thr N . 16966 1
540 . 1 1 72 72 LEU H H 1 7.393 0.010 . 1 . . . . 2875 Leu H . 16966 1
541 . 1 1 72 72 LEU HA H 1 3.941 0.009 . 1 . . . . 2875 Leu HA . 16966 1
542 . 1 1 72 72 LEU HB2 H 1 1.836 0.001 . 2 . . . . 2875 Leu HB2 . 16966 1
543 . 1 1 72 72 LEU HB3 H 1 2.050 0.010 . 2 . . . . 2875 Leu HB3 . 16966 1
544 . 1 1 72 72 LEU C C 13 177.706 0.200 . 1 . . . . 2875 Leu C . 16966 1
545 . 1 1 72 72 LEU CA C 13 59.543 0.080 . 1 . . . . 2875 Leu CA . 16966 1
546 . 1 1 72 72 LEU CB C 13 42.854 0.200 . 1 . . . . 2875 Leu CB . 16966 1
547 . 1 1 72 72 LEU N N 15 122.838 0.059 . 1 . . . . 2875 Leu N . 16966 1
548 . 1 1 73 73 VAL H H 1 7.962 0.016 . 1 . . . . 2876 Val H . 16966 1
549 . 1 1 73 73 VAL HA H 1 3.623 0.011 . 1 . . . . 2876 Val HA . 16966 1
550 . 1 1 73 73 VAL HB H 1 1.515 0.004 . 1 . . . . 2876 Val HB . 16966 1
551 . 1 1 73 73 VAL HG11 H 1 0.185 0.010 . 1 . . . . 2876 Val HG11 . 16966 1
552 . 1 1 73 73 VAL HG12 H 1 0.185 0.010 . 1 . . . . 2876 Val HG12 . 16966 1
553 . 1 1 73 73 VAL HG13 H 1 0.185 0.010 . 1 . . . . 2876 Val HG13 . 16966 1
554 . 1 1 73 73 VAL HG21 H 1 0.185 0.010 . 1 . . . . 2876 Val HG21 . 16966 1
555 . 1 1 73 73 VAL HG22 H 1 0.185 0.010 . 1 . . . . 2876 Val HG22 . 16966 1
556 . 1 1 73 73 VAL HG23 H 1 0.185 0.010 . 1 . . . . 2876 Val HG23 . 16966 1
557 . 1 1 73 73 VAL C C 13 175.618 0.200 . 1 . . . . 2876 Val C . 16966 1
558 . 1 1 73 73 VAL CA C 13 64.698 0.119 . 1 . . . . 2876 Val CA . 16966 1
559 . 1 1 73 73 VAL CB C 13 31.240 0.200 . 1 . . . . 2876 Val CB . 16966 1
560 . 1 1 73 73 VAL N N 15 110.718 0.106 . 1 . . . . 2876 Val N . 16966 1
561 . 1 1 74 74 PHE H H 1 7.243 0.014 . 1 . . . . 2877 Phe H . 16966 1
562 . 1 1 74 74 PHE HA H 1 4.533 0.009 . 1 . . . . 2877 Phe HA . 16966 1
563 . 1 1 74 74 PHE HB2 H 1 2.914 0.015 . 1 . . . . 2877 Phe HB2 . 16966 1
564 . 1 1 74 74 PHE C C 13 178.104 0.200 . 1 . . . . 2877 Phe C . 16966 1
565 . 1 1 74 74 PHE CA C 13 58.121 0.076 . 1 . . . . 2877 Phe CA . 16966 1
566 . 1 1 74 74 PHE CB C 13 38.740 0.087 . 1 . . . . 2877 Phe CB . 16966 1
567 . 1 1 74 74 PHE N N 15 114.627 0.049 . 1 . . . . 2877 Phe N . 16966 1
568 . 1 1 75 75 GLU H H 1 7.560 0.007 . 1 . . . . 2878 Glu H . 16966 1
569 . 1 1 75 75 GLU HA H 1 3.871 0.014 . 1 . . . . 2878 Glu HA . 16966 1
570 . 1 1 75 75 GLU HB2 H 1 1.434 0.019 . 1 . . . . 2878 Glu HB2 . 16966 1
571 . 1 1 75 75 GLU C C 13 176.490 0.200 . 1 . . . . 2878 Glu C . 16966 1
572 . 1 1 75 75 GLU CA C 13 57.704 0.069 . 1 . . . . 2878 Glu CA . 16966 1
573 . 1 1 75 75 GLU CB C 13 30.767 0.030 . 1 . . . . 2878 Glu CB . 16966 1
574 . 1 1 75 75 GLU N N 15 118.071 0.080 . 1 . . . . 2878 Glu N . 16966 1
575 . 1 1 76 76 HIS H H 1 7.040 0.011 . 1 . . . . 2879 His H . 16966 1
576 . 1 1 76 76 HIS HA H 1 4.747 0.006 . 1 . . . . 2879 His HA . 16966 1
577 . 1 1 76 76 HIS HB2 H 1 2.864 0.002 . 1 . . . . 2879 His HB2 . 16966 1
578 . 1 1 76 76 HIS CA C 13 52.740 0.019 . 1 . . . . 2879 His CA . 16966 1
579 . 1 1 76 76 HIS CB C 13 31.156 0.200 . 1 . . . . 2879 His CB . 16966 1
580 . 1 1 76 76 HIS N N 15 116.633 0.070 . 1 . . . . 2879 His N . 16966 1
581 . 1 1 77 77 PRO HA H 1 4.566 0.010 . 1 . . . . 2880 Pro HA . 16966 1
582 . 1 1 77 77 PRO HB2 H 1 1.570 0.010 . 2 . . . . 2880 Pro HB2 . 16966 1
583 . 1 1 77 77 PRO HB3 H 1 2.054 0.010 . 2 . . . . 2880 Pro HB3 . 16966 1
584 . 1 1 77 77 PRO C C 13 176.745 0.200 . 1 . . . . 2880 Pro C . 16966 1
585 . 1 1 77 77 PRO CA C 13 65.550 0.105 . 1 . . . . 2880 Pro CA . 16966 1
586 . 1 1 77 77 PRO CB C 13 30.948 0.056 . 1 . . . . 2880 Pro CB . 16966 1
587 . 1 1 78 78 THR H H 1 7.151 0.012 . 1 . . . . 2881 Thr H . 16966 1
588 . 1 1 78 78 THR HA H 1 4.271 0.006 . 1 . . . . 2881 Thr HA . 16966 1
589 . 1 1 78 78 THR HB H 1 3.631 0.005 . 1 . . . . 2881 Thr HB . 16966 1
590 . 1 1 78 78 THR HG21 H 1 0.773 0.015 . 1 . . . . 2881 Thr HG21 . 16966 1
591 . 1 1 78 78 THR HG22 H 1 0.773 0.015 . 1 . . . . 2881 Thr HG22 . 16966 1
592 . 1 1 78 78 THR HG23 H 1 0.773 0.015 . 1 . . . . 2881 Thr HG23 . 16966 1
593 . 1 1 78 78 THR C C 13 174.605 0.200 . 1 . . . . 2881 Thr C . 16966 1
594 . 1 1 78 78 THR CA C 13 59.411 0.096 . 1 . . . . 2881 Thr CA . 16966 1
595 . 1 1 78 78 THR CB C 13 73.407 0.112 . 1 . . . . 2881 Thr CB . 16966 1
596 . 1 1 78 78 THR N N 15 109.226 0.062 . 1 . . . . 2881 Thr N . 16966 1
597 . 1 1 79 79 VAL H H 1 9.883 0.006 . 1 . . . . 2882 Val H . 16966 1
598 . 1 1 79 79 VAL HA H 1 3.524 0.003 . 1 . . . . 2882 Val HA . 16966 1
599 . 1 1 79 79 VAL HB H 1 2.294 0.002 . 1 . . . . 2882 Val HB . 16966 1
600 . 1 1 79 79 VAL HG11 H 1 1.332 0.004 . 1 . . . . 2882 Val HG11 . 16966 1
601 . 1 1 79 79 VAL HG12 H 1 1.332 0.004 . 1 . . . . 2882 Val HG12 . 16966 1
602 . 1 1 79 79 VAL HG13 H 1 1.332 0.004 . 1 . . . . 2882 Val HG13 . 16966 1
603 . 1 1 79 79 VAL HG21 H 1 1.332 0.004 . 1 . . . . 2882 Val HG21 . 16966 1
604 . 1 1 79 79 VAL HG22 H 1 1.332 0.004 . 1 . . . . 2882 Val HG22 . 16966 1
605 . 1 1 79 79 VAL HG23 H 1 1.332 0.004 . 1 . . . . 2882 Val HG23 . 16966 1
606 . 1 1 79 79 VAL C C 13 177.334 0.200 . 1 . . . . 2882 Val C . 16966 1
607 . 1 1 79 79 VAL CA C 13 67.731 0.085 . 1 . . . . 2882 Val CA . 16966 1
608 . 1 1 79 79 VAL CB C 13 31.354 0.200 . 1 . . . . 2882 Val CB . 16966 1
609 . 1 1 79 79 VAL N N 15 122.929 0.108 . 1 . . . . 2882 Val N . 16966 1
610 . 1 1 80 80 ARG H H 1 8.134 0.006 . 1 . . . . 2883 Arg H . 16966 1
611 . 1 1 80 80 ARG HA H 1 3.759 0.011 . 1 . . . . 2883 Arg HA . 16966 1
612 . 1 1 80 80 ARG HB2 H 1 1.619 0.008 . 1 . . . . 2883 Arg HB2 . 16966 1
613 . 1 1 80 80 ARG HD2 H 1 3.759 0.010 . 1 . . . . 2883 Arg HD2 . 16966 1
614 . 1 1 80 80 ARG C C 13 179.527 0.200 . 1 . . . . 2883 Arg C . 16966 1
615 . 1 1 80 80 ARG CA C 13 59.898 0.080 . 1 . . . . 2883 Arg CA . 16966 1
616 . 1 1 80 80 ARG CB C 13 30.714 0.133 . 1 . . . . 2883 Arg CB . 16966 1
617 . 1 1 80 80 ARG N N 15 117.550 0.081 . 1 . . . . 2883 Arg N . 16966 1
618 . 1 1 81 81 ARG H H 1 8.142 0.016 . 1 . . . . 2884 Arg H . 16966 1
619 . 1 1 81 81 ARG HA H 1 4.099 0.004 . 1 . . . . 2884 Arg HA . 16966 1
620 . 1 1 81 81 ARG HB2 H 1 1.582 0.009 . 2 . . . . 2884 Arg HB2 . 16966 1
621 . 1 1 81 81 ARG HB3 H 1 1.703 0.011 . 2 . . . . 2884 Arg HB3 . 16966 1
622 . 1 1 81 81 ARG C C 13 180.363 0.200 . 1 . . . . 2884 Arg C . 16966 1
623 . 1 1 81 81 ARG CA C 13 58.837 0.051 . 1 . . . . 2884 Arg CA . 16966 1
624 . 1 1 81 81 ARG CB C 13 30.223 0.161 . 1 . . . . 2884 Arg CB . 16966 1
625 . 1 1 81 81 ARG N N 15 116.740 0.040 . 1 . . . . 2884 Arg N . 16966 1
626 . 1 1 82 82 LEU H H 1 8.940 0.007 . 1 . . . . 2885 Leu H . 16966 1
627 . 1 1 82 82 LEU HA H 1 4.071 0.007 . 1 . . . . 2885 Leu HA . 16966 1
628 . 1 1 82 82 LEU HB2 H 1 2.103 0.001 . 1 . . . . 2885 Leu HB2 . 16966 1
629 . 1 1 82 82 LEU C C 13 178.441 0.200 . 1 . . . . 2885 Leu C . 16966 1
630 . 1 1 82 82 LEU CA C 13 58.354 0.061 . 1 . . . . 2885 Leu CA . 16966 1
631 . 1 1 82 82 LEU CB C 13 41.397 0.108 . 1 . . . . 2885 Leu CB . 16966 1
632 . 1 1 82 82 LEU N N 15 123.276 0.046 . 1 . . . . 2885 Leu N . 16966 1
633 . 1 1 83 83 ALA H H 1 8.801 0.005 . 1 . . . . 2886 Ala H . 16966 1
634 . 1 1 83 83 ALA HA H 1 4.041 0.008 . 1 . . . . 2886 Ala HA . 16966 1
635 . 1 1 83 83 ALA HB1 H 1 1.541 0.004 . 1 . . . . 2886 Ala HB1 . 16966 1
636 . 1 1 83 83 ALA HB2 H 1 1.541 0.004 . 1 . . . . 2886 Ala HB2 . 16966 1
637 . 1 1 83 83 ALA HB3 H 1 1.541 0.004 . 1 . . . . 2886 Ala HB3 . 16966 1
638 . 1 1 83 83 ALA C C 13 180.513 0.200 . 1 . . . . 2886 Ala C . 16966 1
639 . 1 1 83 83 ALA CA C 13 55.644 0.061 . 1 . . . . 2886 Ala CA . 16966 1
640 . 1 1 83 83 ALA CB C 13 18.394 0.072 . 1 . . . . 2886 Ala CB . 16966 1
641 . 1 1 83 83 ALA N N 15 121.067 0.045 . 1 . . . . 2886 Ala N . 16966 1
642 . 1 1 84 84 ASP H H 1 8.227 0.007 . 1 . . . . 2887 Asp H . 16966 1
643 . 1 1 84 84 ASP HA H 1 4.377 0.009 . 1 . . . . 2887 Asp HA . 16966 1
644 . 1 1 84 84 ASP HB2 H 1 2.633 0.007 . 2 . . . . 2887 Asp HB2 . 16966 1
645 . 1 1 84 84 ASP HB3 H 1 2.834 0.007 . 2 . . . . 2887 Asp HB3 . 16966 1
646 . 1 1 84 84 ASP C C 13 176.760 0.200 . 1 . . . . 2887 Asp C . 16966 1
647 . 1 1 84 84 ASP CA C 13 57.089 0.063 . 1 . . . . 2887 Asp CA . 16966 1
648 . 1 1 84 84 ASP CB C 13 40.931 0.080 . 1 . . . . 2887 Asp CB . 16966 1
649 . 1 1 84 84 ASP N N 15 117.045 0.037 . 1 . . . . 2887 Asp N . 16966 1
650 . 1 1 85 85 HIS H H 1 7.931 0.008 . 1 . . . . 2888 His H . 16966 1
651 . 1 1 85 85 HIS HA H 1 4.083 0.004 . 1 . . . . 2888 His HA . 16966 1
652 . 1 1 85 85 HIS HB2 H 1 2.505 0.003 . 2 . . . . 2888 His HB2 . 16966 1
653 . 1 1 85 85 HIS HB3 H 1 2.839 0.009 . 2 . . . . 2888 His HB3 . 16966 1
654 . 1 1 85 85 HIS C C 13 179.019 0.200 . 1 . . . . 2888 His C . 16966 1
655 . 1 1 85 85 HIS CA C 13 60.109 0.060 . 1 . . . . 2888 His CA . 16966 1
656 . 1 1 85 85 HIS CB C 13 29.257 0.064 . 1 . . . . 2888 His CB . 16966 1
657 . 1 1 85 85 HIS N N 15 118.467 0.067 . 1 . . . . 2888 His N . 16966 1
658 . 1 1 86 86 ILE H H 1 8.314 0.004 . 1 . . . . 2889 Ile H . 16966 1
659 . 1 1 86 86 ILE HA H 1 3.276 0.006 . 1 . . . . 2889 Ile HA . 16966 1
660 . 1 1 86 86 ILE HB H 1 1.984 0.009 . 1 . . . . 2889 Ile HB . 16966 1
661 . 1 1 86 86 ILE HD11 H 1 1.189 0.001 . 1 . . . . 2889 Ile HD11 . 16966 1
662 . 1 1 86 86 ILE HD12 H 1 1.189 0.001 . 1 . . . . 2889 Ile HD12 . 16966 1
663 . 1 1 86 86 ILE HD13 H 1 1.189 0.001 . 1 . . . . 2889 Ile HD13 . 16966 1
664 . 1 1 86 86 ILE HG12 H 1 1.842 0.003 . 2 . . . . 2889 Ile HG12 . 16966 1
665 . 1 1 86 86 ILE HG13 H 1 1.978 0.001 . 2 . . . . 2889 Ile HG13 . 16966 1
666 . 1 1 86 86 ILE HG21 H 1 0.850 0.028 . 1 . . . . 2889 Ile HG21 . 16966 1
667 . 1 1 86 86 ILE HG22 H 1 0.850 0.028 . 1 . . . . 2889 Ile HG22 . 16966 1
668 . 1 1 86 86 ILE HG23 H 1 0.850 0.028 . 1 . . . . 2889 Ile HG23 . 16966 1
669 . 1 1 86 86 ILE C C 13 178.983 0.200 . 1 . . . . 2889 Ile C . 16966 1
670 . 1 1 86 86 ILE CA C 13 65.015 0.065 . 1 . . . . 2889 Ile CA . 16966 1
671 . 1 1 86 86 ILE CB C 13 37.175 0.113 . 1 . . . . 2889 Ile CB . 16966 1
672 . 1 1 86 86 ILE N N 15 117.668 0.134 . 1 . . . . 2889 Ile N . 16966 1
673 . 1 1 87 87 GLY H H 1 8.592 0.006 . 1 . . . . 2890 Gly H . 16966 1
674 . 1 1 87 87 GLY HA2 H 1 3.619 0.006 . 2 . . . . 2890 Gly HA2 . 16966 1
675 . 1 1 87 87 GLY HA3 H 1 3.952 0.007 . 2 . . . . 2890 Gly HA3 . 16966 1
676 . 1 1 87 87 GLY C C 13 176.918 0.200 . 1 . . . . 2890 Gly C . 16966 1
677 . 1 1 87 87 GLY CA C 13 47.498 0.112 . 1 . . . . 2890 Gly CA . 16966 1
678 . 1 1 87 87 GLY N N 15 105.626 0.046 . 1 . . . . 2890 Gly N . 16966 1
679 . 1 1 88 88 GLN H H 1 7.475 0.005 . 1 . . . . 2891 Gln H . 16966 1
680 . 1 1 88 88 GLN HA H 1 4.189 0.004 . 1 . . . . 2891 Gln HA . 16966 1
681 . 1 1 88 88 GLN HB2 H 1 2.082 0.015 . 1 . . . . 2891 Gln HB2 . 16966 1
682 . 1 1 88 88 GLN HG2 H 1 2.564 0.010 . 1 . . . . 2891 Gln HG2 . 16966 1
683 . 1 1 88 88 GLN HG3 H 1 2.564 0.010 . 1 . . . . 2891 Gln HG3 . 16966 1
684 . 1 1 88 88 GLN C C 13 177.486 0.200 . 1 . . . . 2891 Gln C . 16966 1
685 . 1 1 88 88 GLN CA C 13 57.098 0.114 . 1 . . . . 2891 Gln CA . 16966 1
686 . 1 1 88 88 GLN CB C 13 28.796 0.115 . 1 . . . . 2891 Gln CB . 16966 1
687 . 1 1 88 88 GLN N N 15 117.136 0.089 . 1 . . . . 2891 Gln N . 16966 1
688 . 1 1 89 89 GLN H H 1 7.678 0.006 . 1 . . . . 2892 Gln H . 16966 1
689 . 1 1 89 89 GLN HA H 1 4.309 0.005 . 1 . . . . 2892 Gln HA . 16966 1
690 . 1 1 89 89 GLN HB2 H 1 1.888 0.013 . 1 . . . . 2892 Gln HB2 . 16966 1
691 . 1 1 89 89 GLN HB3 H 1 1.888 0.013 . 1 . . . . 2892 Gln HB3 . 16966 1
692 . 1 1 89 89 GLN HG2 H 1 2.248 0.016 . 1 . . . . 2892 Gln HG2 . 16966 1
693 . 1 1 89 89 GLN HG3 H 1 2.248 0.016 . 1 . . . . 2892 Gln HG3 . 16966 1
694 . 1 1 89 89 GLN C C 13 176.023 0.200 . 1 . . . . 2892 Gln C . 16966 1
695 . 1 1 89 89 GLN CA C 13 54.838 0.028 . 1 . . . . 2892 Gln CA . 16966 1
696 . 1 1 89 89 GLN CB C 13 30.138 0.125 . 1 . . . . 2892 Gln CB . 16966 1
697 . 1 1 89 89 GLN N N 15 116.082 0.052 . 1 . . . . 2892 Gln N . 16966 1
698 . 1 1 90 90 LEU H H 1 6.966 0.005 . 1 . . . . 2893 Leu H . 16966 1
699 . 1 1 90 90 LEU HA H 1 4.120 0.001 . 1 . . . . 2893 Leu HA . 16966 1
700 . 1 1 90 90 LEU HB2 H 1 1.695 0.005 . 1 . . . . 2893 Leu HB2 . 16966 1
701 . 1 1 90 90 LEU HD11 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD11 . 16966 1
702 . 1 1 90 90 LEU HD12 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD12 . 16966 1
703 . 1 1 90 90 LEU HD13 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD13 . 16966 1
704 . 1 1 90 90 LEU HD21 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD21 . 16966 1
705 . 1 1 90 90 LEU HD22 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD22 . 16966 1
706 . 1 1 90 90 LEU HD23 H 1 0.790 0.010 . 1 . . . . 2893 Leu HD23 . 16966 1
707 . 1 1 90 90 LEU HG H 1 1.571 0.002 . 1 . . . . 2893 Leu HG . 16966 1
708 . 1 1 90 90 LEU CA C 13 56.644 0.002 . 1 . . . . 2893 Leu CA . 16966 1
709 . 1 1 90 90 LEU CB C 13 43.462 0.200 . 1 . . . . 2893 Leu CB . 16966 1
710 . 1 1 90 90 LEU N N 15 124.528 0.042 . 1 . . . . 2893 Leu N . 16966 1
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