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 52906
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shift assignments for SET-9/26 PHD domain in isolation'
_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 0.025
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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' . . . 52906 1
2 '3D HNCA' . . . 52906 1
3 '3D HN(CO)CACB' . . . 52906 1
4 '3D HNCACB' . . . 52906 1
5 '3D HNCO' . . . 52906 1
6 '3D HN(CA)CO' . . . 52906 1
7 '3D HN(CO)CA' . . . 52906 1
8 '2D 1H-13C HSQC' . . . 52906 1
9 '3D HCCH-TOCSY' . . . 52906 1
10 '3D HCCH-COSY' . . . 52906 1
11 '15N-resolved [1H, 1H]-NOESY' . . . 52906 1
12 '3D 13Cali-resolved [1H, 1H]-NOESY' . . . 52906 1
13 '3D 13Caro-resolved [1H, 1H]-NOESY' . . . 52906 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 $software_2 . . 52906 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 2 2 PRO C C 13 176.499 0.000 . 1 . . . . . 776 P C . 52906 1
2 . 1 . 1 2 2 PRO CA C 13 63.141 0.000 . 1 . . . . . 776 P CA . 52906 1
3 . 1 . 1 2 2 PRO CB C 13 32.349 0.000 . 1 . . . . . 776 P CB . 52906 1
4 . 1 . 1 3 3 LEU H H 1 8.426 0.000 . 1 . . . . . 777 L H . 52906 1
5 . 1 . 1 3 3 LEU C C 13 177.531 0.000 . 1 . . . . . 777 L C . 52906 1
6 . 1 . 1 3 3 LEU CA C 13 55.534 0.000 . 1 . . . . . 777 L CA . 52906 1
7 . 1 . 1 3 3 LEU CB C 13 42.253 0.000 . 1 . . . . . 777 L CB . 52906 1
8 . 1 . 1 3 3 LEU N N 15 122.182 0.000 . 1 . . . . . 777 L N . 52906 1
9 . 1 . 1 4 4 GLY H H 1 8.385 0.000 . 1 . . . . . 778 G H . 52906 1
10 . 1 . 1 4 4 GLY C C 13 173.948 0.000 . 1 . . . . . 778 G C . 52906 1
11 . 1 . 1 4 4 GLY CA C 13 45.368 0.000 . 1 . . . . . 778 G CA . 52906 1
12 . 1 . 1 4 4 GLY N N 15 110.139 0.000 . 1 . . . . . 778 G N . 52906 1
13 . 1 . 1 5 5 SER H H 1 8.162 0.000 . 1 . . . . . 779 S H . 52906 1
14 . 1 . 1 5 5 SER C C 13 174.037 0.000 . 1 . . . . . 779 S C . 52906 1
15 . 1 . 1 5 5 SER CA C 13 58.504 0.000 . 1 . . . . . 779 S CA . 52906 1
16 . 1 . 1 5 5 SER CB C 13 64.154 0.000 . 1 . . . . . 779 S CB . 52906 1
17 . 1 . 1 5 5 SER N N 15 116.074 0.000 . 1 . . . . . 779 S N . 52906 1
18 . 1 . 1 6 6 ALA H H 1 8.332 0.000 . 1 . . . . . 780 A H . 52906 1
19 . 1 . 1 6 6 ALA C C 13 177.145 0.000 . 1 . . . . . 780 A C . 52906 1
20 . 1 . 1 6 6 ALA CA C 13 52.752 0.000 . 1 . . . . . 780 A CA . 52906 1
21 . 1 . 1 6 6 ALA CB C 13 19.051 0.000 . 1 . . . . . 780 A CB . 52906 1
22 . 1 . 1 6 6 ALA N N 15 125.819 0.000 . 1 . . . . . 780 A N . 52906 1
23 . 1 . 1 7 7 ALA H H 1 8.132 0.000 . 1 . . . . . 781 A H . 52906 1
24 . 1 . 1 7 7 ALA C C 13 177.412 0.000 . 1 . . . . . 781 A C . 52906 1
25 . 1 . 1 7 7 ALA CA C 13 52.843 0.000 . 1 . . . . . 781 A CA . 52906 1
26 . 1 . 1 7 7 ALA CB C 13 19.113 0.000 . 1 . . . . . 781 A CB . 52906 1
27 . 1 . 1 7 7 ALA N N 15 122.891 0.000 . 1 . . . . . 781 A N . 52906 1
28 . 1 . 1 8 8 GLU H H 1 8.166 0.000 . 1 . . . . . 782 E H . 52906 1
29 . 1 . 1 8 8 GLU C C 13 176.073 0.000 . 1 . . . . . 782 E C . 52906 1
30 . 1 . 1 8 8 GLU CA C 13 56.68 0.000 . 1 . . . . . 782 E CA . 52906 1
31 . 1 . 1 8 8 GLU CB C 13 30.185 0.000 . 1 . . . . . 782 E CB . 52906 1
32 . 1 . 1 8 8 GLU N N 15 119.337 0.000 . 1 . . . . . 782 E N . 52906 1
33 . 1 . 1 9 9 GLU H H 1 8.174 0.000 . 1 . . . . . 783 E H . 52906 1
34 . 1 . 1 9 9 GLU C C 13 175.741 0.000 . 1 . . . . . 783 E C . 52906 1
35 . 1 . 1 9 9 GLU CA C 13 56.015 0.000 . 1 . . . . . 783 E CA . 52906 1
36 . 1 . 1 9 9 GLU CB C 13 30.288 0.000 . 1 . . . . . 783 E CB . 52906 1
37 . 1 . 1 9 9 GLU N N 15 121.094 0.000 . 1 . . . . . 783 E N . 52906 1
38 . 1 . 1 10 10 SER H H 1 8.077 0.000 . 1 . . . . . 784 S H . 52906 1
39 . 1 . 1 10 10 SER C C 13 173.176 0.000 . 1 . . . . . 784 S C . 52906 1
40 . 1 . 1 10 10 SER CA C 13 58.081 0.000 . 1 . . . . . 784 S CA . 52906 1
41 . 1 . 1 10 10 SER CB C 13 64.068 0.000 . 1 . . . . . 784 S CB . 52906 1
42 . 1 . 1 10 10 SER N N 15 116.07 0.000 . 1 . . . . . 784 S N . 52906 1
43 . 1 . 1 11 11 TRP H H 1 7.706 0.000 . 1 . . . . . 785 W H . 52906 1
44 . 1 . 1 11 11 TRP HE1 H 1 9.418 0.000 . 1 . . . . . 785 W HE1 . 52906 1
45 . 1 . 1 11 11 TRP C C 13 175.134 0.000 . 1 . . . . . 785 W C . 52906 1
46 . 1 . 1 11 11 TRP CA C 13 56.227 0.000 . 1 . . . . . 785 W CA . 52906 1
47 . 1 . 1 11 11 TRP CB C 13 29.777 0.000 . 1 . . . . . 785 W CB . 52906 1
48 . 1 . 1 11 11 TRP N N 15 122.869 0.000 . 1 . . . . . 785 W N . 52906 1
49 . 1 . 1 11 11 TRP NE1 N 15 128.731 0.000 . 1 . . . . . 785 W NE1 . 52906 1
50 . 1 . 1 12 12 THR H H 1 8.365 0.000 . 1 . . . . . 786 T H . 52906 1
51 . 1 . 1 12 12 THR C C 13 173.103 0.000 . 1 . . . . . 786 T C . 52906 1
52 . 1 . 1 12 12 THR CA C 13 62.369 0.000 . 1 . . . . . 786 T CA . 52906 1
53 . 1 . 1 12 12 THR CB C 13 70.607 0.000 . 1 . . . . . 786 T CB . 52906 1
54 . 1 . 1 12 12 THR N N 15 119.221 0.000 . 1 . . . . . 786 T N . 52906 1
55 . 1 . 1 13 13 MET H H 1 8.579 0.000 . 1 . . . . . 787 M H . 52906 1
56 . 1 . 1 13 13 MET C C 13 176.519 0.000 . 1 . . . . . 787 M C . 52906 1
57 . 1 . 1 13 13 MET CA C 13 53.345 0.000 . 1 . . . . . 787 M CA . 52906 1
58 . 1 . 1 13 13 MET CB C 13 29.533 0.000 . 1 . . . . . 787 M CB . 52906 1
59 . 1 . 1 13 13 MET N N 15 125.808 0.000 . 1 . . . . . 787 M N . 52906 1
60 . 1 . 1 14 14 ARG H H 1 9.467 0.000 . 1 . . . . . 788 R H . 52906 1
61 . 1 . 1 14 14 ARG C C 13 170.826 0.000 . 1 . . . . . 788 R C . 52906 1
62 . 1 . 1 14 14 ARG CA C 13 57.919 0.000 . 1 . . . . . 788 R CA . 52906 1
63 . 1 . 1 14 14 ARG CB C 13 28.982 0.000 . 1 . . . . . 788 R CB . 52906 1
64 . 1 . 1 14 14 ARG N N 15 128.356 0.000 . 1 . . . . . 788 R N . 52906 1
65 . 1 . 1 15 15 CYS H H 1 8.927 0.000 . 1 . . . . . 789 C H . 52906 1
66 . 1 . 1 15 15 CYS C C 13 177.225 0.000 . 1 . . . . . 789 C C . 52906 1
67 . 1 . 1 15 15 CYS CA C 13 58.409 0.000 . 1 . . . . . 789 C CA . 52906 1
68 . 1 . 1 15 15 CYS CB C 13 32.527 0.000 . 1 . . . . . 789 C CB . 52906 1
69 . 1 . 1 15 15 CYS N N 15 127.862 0.000 . 1 . . . . . 789 C N . 52906 1
70 . 1 . 1 16 16 HIS H H 1 10.45 0.000 . 1 . . . . . 790 H H . 52906 1
71 . 1 . 1 16 16 HIS C C 13 175.013 0.000 . 1 . . . . . 790 H C . 52906 1
72 . 1 . 1 16 16 HIS CA C 13 59.188 0.000 . 1 . . . . . 790 H CA . 52906 1
73 . 1 . 1 16 16 HIS CB C 13 30.265 0.000 . 1 . . . . . 790 H CB . 52906 1
74 . 1 . 1 16 16 HIS N N 15 133.157 0.000 . 1 . . . . . 790 H N . 52906 1
75 . 1 . 1 17 17 CYS H H 1 7.234 0.000 . 1 . . . . . 791 C H . 52906 1
76 . 1 . 1 17 17 CYS C C 13 176.155 0.000 . 1 . . . . . 791 C C . 52906 1
77 . 1 . 1 17 17 CYS CA C 13 59.88 0.000 . 1 . . . . . 791 C CA . 52906 1
78 . 1 . 1 17 17 CYS CB C 13 30.971 0.000 . 1 . . . . . 791 C CB . 52906 1
79 . 1 . 1 17 17 CYS N N 15 119.401 0.000 . 1 . . . . . 791 C N . 52906 1
80 . 1 . 1 18 18 GLY H H 1 8.348 0.000 . 1 . . . . . 792 G H . 52906 1
81 . 1 . 1 18 18 GLY C C 13 173.876 0.000 . 1 . . . . . 792 G C . 52906 1
82 . 1 . 1 18 18 GLY CA C 13 45.694 0.000 . 1 . . . . . 792 G CA . 52906 1
83 . 1 . 1 18 18 GLY N N 15 109.168 0.000 . 1 . . . . . 792 G N . 52906 1
84 . 1 . 1 19 19 MET H H 1 9.213 0.000 . 1 . . . . . 793 M H . 52906 1
85 . 1 . 1 19 19 MET C C 13 176.587 0.000 . 1 . . . . . 793 M C . 52906 1
86 . 1 . 1 19 19 MET CA C 13 55.845 0.000 . 1 . . . . . 793 M CA . 52906 1
87 . 1 . 1 19 19 MET CB C 13 35.739 0.000 . 1 . . . . . 793 M CB . 52906 1
88 . 1 . 1 19 19 MET N N 15 123.619 0.000 . 1 . . . . . 793 M N . 52906 1
89 . 1 . 1 20 20 ASP H H 1 8.38 0.000 . 1 . . . . . 794 D H . 52906 1
90 . 1 . 1 20 20 ASP C C 13 175.335 0.000 . 1 . . . . . 794 D C . 52906 1
91 . 1 . 1 20 20 ASP CA C 13 53.318 0.000 . 1 . . . . . 794 D CA . 52906 1
92 . 1 . 1 20 20 ASP CB C 13 41.479 0.000 . 1 . . . . . 794 D CB . 52906 1
93 . 1 . 1 20 20 ASP N N 15 119.701 0.000 . 1 . . . . . 794 D N . 52906 1
94 . 1 . 1 21 21 HIS H H 1 7.895 0.000 . 1 . . . . . 795 H H . 52906 1
95 . 1 . 1 21 21 HIS C C 13 175.302 0.000 . 1 . . . . . 795 H C . 52906 1
96 . 1 . 1 21 21 HIS CA C 13 56.508 0.000 . 1 . . . . . 795 H CA . 52906 1
97 . 1 . 1 21 21 HIS CB C 13 30.395 0.000 . 1 . . . . . 795 H CB . 52906 1
98 . 1 . 1 21 21 HIS N N 15 116.432 0.000 . 1 . . . . . 795 H N . 52906 1
99 . 1 . 1 22 22 GLY H H 1 8.799 0.000 . 1 . . . . . 796 G H . 52906 1
100 . 1 . 1 22 22 GLY C C 13 173.127 0.000 . 1 . . . . . 796 G C . 52906 1
101 . 1 . 1 22 22 GLY CA C 13 44.434 0.000 . 1 . . . . . 796 G CA . 52906 1
102 . 1 . 1 22 22 GLY N N 15 108.077 0.000 . 1 . . . . . 796 G N . 52906 1
103 . 1 . 1 23 23 ASP H H 1 7.884 0.000 . 1 . . . . . 797 D H . 52906 1
104 . 1 . 1 23 23 ASP C C 13 174.809 0.000 . 1 . . . . . 797 D C . 52906 1
105 . 1 . 1 23 23 ASP CA C 13 54.237 0.000 . 1 . . . . . 797 D CA . 52906 1
106 . 1 . 1 23 23 ASP CB C 13 42.827 0.000 . 1 . . . . . 797 D CB . 52906 1
107 . 1 . 1 23 23 ASP N N 15 116.957 0.000 . 1 . . . . . 797 D N . 52906 1
108 . 1 . 1 24 24 GLY H H 1 8.463 0.000 . 1 . . . . . 798 G H . 52906 1
109 . 1 . 1 24 24 GLY C C 13 173.342 0.000 . 1 . . . . . 798 G C . 52906 1
110 . 1 . 1 24 24 GLY CA C 13 44.432 0.000 . 1 . . . . . 798 G CA . 52906 1
111 . 1 . 1 24 24 GLY N N 15 105.931 0.000 . 1 . . . . . 798 G N . 52906 1
112 . 1 . 1 25 25 ASP H H 1 8.433 0.000 . 1 . . . . . 799 D H . 52906 1
113 . 1 . 1 25 25 ASP C C 13 175.526 0.000 . 1 . . . . . 799 D C . 52906 1
114 . 1 . 1 25 25 ASP CA C 13 54.571 0.000 . 1 . . . . . 799 D CA . 52906 1
115 . 1 . 1 25 25 ASP CB C 13 41.536 0.000 . 1 . . . . . 799 D CB . 52906 1
116 . 1 . 1 25 25 ASP N N 15 122.507 0.000 . 1 . . . . . 799 D N . 52906 1
117 . 1 . 1 26 26 THR H H 1 8.505 0.000 . 1 . . . . . 800 T H . 52906 1
118 . 1 . 1 26 26 THR C C 13 171.699 0.000 . 1 . . . . . 800 T C . 52906 1
119 . 1 . 1 26 26 THR CA C 13 59.988 0.000 . 1 . . . . . 800 T CA . 52906 1
120 . 1 . 1 26 26 THR CB C 13 72.89 0.000 . 1 . . . . . 800 T CB . 52906 1
121 . 1 . 1 26 26 THR N N 15 117.37 0.000 . 1 . . . . . 800 T N . 52906 1
122 . 1 . 1 27 27 ILE H H 1 9.162 0.000 . 1 . . . . . 801 I H . 52906 1
123 . 1 . 1 27 27 ILE C C 13 169.422 0.000 . 1 . . . . . 801 I C . 52906 1
124 . 1 . 1 27 27 ILE CA C 13 59.593 0.000 . 1 . . . . . 801 I CA . 52906 1
125 . 1 . 1 27 27 ILE CB C 13 42.072 0.000 . 1 . . . . . 801 I CB . 52906 1
126 . 1 . 1 27 27 ILE N N 15 119.612 0.000 . 1 . . . . . 801 I N . 52906 1
127 . 1 . 1 28 28 GLU H H 1 7.413 0.000 . 1 . . . . . 802 E H . 52906 1
128 . 1 . 1 28 28 GLU C C 13 175.249 0.000 . 1 . . . . . 802 E C . 52906 1
129 . 1 . 1 28 28 GLU CA C 13 54.47 0.000 . 1 . . . . . 802 E CA . 52906 1
130 . 1 . 1 28 28 GLU CB C 13 30.713 0.000 . 1 . . . . . 802 E CB . 52906 1
131 . 1 . 1 28 28 GLU N N 15 128.315 0.000 . 1 . . . . . 802 E N . 52906 1
132 . 1 . 1 29 29 CYS H H 1 8.966 0.000 . 1 . . . . . 803 C H . 52906 1
133 . 1 . 1 29 29 CYS C C 13 176.92 0.000 . 1 . . . . . 803 C C . 52906 1
134 . 1 . 1 29 29 CYS CA C 13 59.714 0.000 . 1 . . . . . 803 C CA . 52906 1
135 . 1 . 1 29 29 CYS CB C 13 29.843 0.000 . 1 . . . . . 803 C CB . 52906 1
136 . 1 . 1 29 29 CYS N N 15 128.92 0.000 . 1 . . . . . 803 C N . 52906 1
137 . 1 . 1 30 30 GLU H H 1 8.743 0.000 . 1 . . . . . 804 E H . 52906 1
138 . 1 . 1 30 30 GLU C C 13 177.012 0.000 . 1 . . . . . 804 E C . 52906 1
139 . 1 . 1 30 30 GLU CA C 13 58.479 0.000 . 1 . . . . . 804 E CA . 52906 1
140 . 1 . 1 30 30 GLU CB C 13 29.907 0.000 . 1 . . . . . 804 E CB . 52906 1
141 . 1 . 1 30 30 GLU N N 15 129.437 0.000 . 1 . . . . . 804 E N . 52906 1
142 . 1 . 1 31 31 GLY H H 1 9.326 0.000 . 1 . . . . . 805 G H . 52906 1
143 . 1 . 1 31 31 GLY C C 13 174.165 0.000 . 1 . . . . . 805 G C . 52906 1
144 . 1 . 1 31 31 GLY CA C 13 46.64 0.000 . 1 . . . . . 805 G CA . 52906 1
145 . 1 . 1 31 31 GLY N N 15 111.472 0.000 . 1 . . . . . 805 G N . 52906 1
146 . 1 . 1 32 32 CYS H H 1 7.704 0.000 . 1 . . . . . 806 C H . 52906 1
147 . 1 . 1 32 32 CYS C C 13 174.819 0.000 . 1 . . . . . 806 C C . 52906 1
148 . 1 . 1 32 32 CYS CA C 13 57.464 0.000 . 1 . . . . . 806 C CA . 52906 1
149 . 1 . 1 32 32 CYS CB C 13 31.692 0.000 . 1 . . . . . 806 C CB . 52906 1
150 . 1 . 1 32 32 CYS N N 15 118.484 0.000 . 1 . . . . . 806 C N . 52906 1
151 . 1 . 1 33 33 LYS H H 1 8.185 0.000 . 1 . . . . . 807 K H . 52906 1
152 . 1 . 1 33 33 LYS C C 13 175.888 0.000 . 1 . . . . . 807 K C . 52906 1
153 . 1 . 1 33 33 LYS CA C 13 56.745 0.000 . 1 . . . . . 807 K CA . 52906 1
154 . 1 . 1 33 33 LYS CB C 13 28.184 0.000 . 1 . . . . . 807 K CB . 52906 1
155 . 1 . 1 33 33 LYS N N 15 118.855 0.000 . 1 . . . . . 807 K N . 52906 1
156 . 1 . 1 34 34 THR H H 1 7.563 0.000 . 1 . . . . . 808 T H . 52906 1
157 . 1 . 1 34 34 THR C C 13 172.401 0.000 . 1 . . . . . 808 T C . 52906 1
158 . 1 . 1 34 34 THR CA C 13 60.914 0.000 . 1 . . . . . 808 T CA . 52906 1
159 . 1 . 1 34 34 THR CB C 13 72.989 0.000 . 1 . . . . . 808 T CB . 52906 1
160 . 1 . 1 34 34 THR N N 15 109.621 0.000 . 1 . . . . . 808 T N . 52906 1
161 . 1 . 1 35 35 TRP H H 1 8.908 0.000 . 1 . . . . . 809 W H . 52906 1
162 . 1 . 1 35 35 TRP HE1 H 1 9.847 0.000 . 1 . . . . . 809 W HE1 . 52906 1
163 . 1 . 1 35 35 TRP C C 13 174.716 0.000 . 1 . . . . . 809 W C . 52906 1
164 . 1 . 1 35 35 TRP CA C 13 56.47 0.000 . 1 . . . . . 809 W CA . 52906 1
165 . 1 . 1 35 35 TRP CB C 13 31.32 0.000 . 1 . . . . . 809 W CB . 52906 1
166 . 1 . 1 35 35 TRP N N 15 120.191 0.000 . 1 . . . . . 809 W N . 52906 1
167 . 1 . 1 35 35 TRP NE1 N 15 130.291 0.000 . 1 . . . . . 809 W NE1 . 52906 1
168 . 1 . 1 36 36 GLN H H 1 8.893 0.000 . 1 . . . . . 810 Q H . 52906 1
169 . 1 . 1 36 36 GLN C C 13 175.967 0.000 . 1 . . . . . 810 Q C . 52906 1
170 . 1 . 1 36 36 GLN CA C 13 55.301 0.000 . 1 . . . . . 810 Q CA . 52906 1
171 . 1 . 1 36 36 GLN CB C 13 33.393 0.000 . 1 . . . . . 810 Q CB . 52906 1
172 . 1 . 1 36 36 GLN N N 15 118.729 0.000 . 1 . . . . . 810 Q N . 52906 1
173 . 1 . 1 37 37 HIS H H 1 9.131 0.000 . 1 . . . . . 811 H H . 52906 1
174 . 1 . 1 37 37 HIS C C 13 177.158 0.000 . 1 . . . . . 811 H C . 52906 1
175 . 1 . 1 37 37 HIS CA C 13 57.101 0.000 . 1 . . . . . 811 H CA . 52906 1
176 . 1 . 1 37 37 HIS CB C 13 29.98 0.000 . 1 . . . . . 811 H CB . 52906 1
177 . 1 . 1 37 37 HIS N N 15 121.817 0.000 . 1 . . . . . 811 H N . 52906 1
178 . 1 . 1 38 38 MET H H 1 9.077 0.000 . 1 . . . . . 812 M H . 52906 1
179 . 1 . 1 38 38 MET C C 13 178.547 0.000 . 1 . . . . . 812 M C . 52906 1
180 . 1 . 1 38 38 MET CA C 13 61.725 0.000 . 1 . . . . . 812 M CA . 52906 1
181 . 1 . 1 38 38 MET CB C 13 32.469 0.000 . 1 . . . . . 812 M CB . 52906 1
182 . 1 . 1 38 38 MET N N 15 123.654 0.000 . 1 . . . . . 812 M N . 52906 1
183 . 1 . 1 39 39 ALA H H 1 9.292 0.000 . 1 . . . . . 813 A H . 52906 1
184 . 1 . 1 39 39 ALA C C 13 181.215 0.000 . 1 . . . . . 813 A C . 52906 1
185 . 1 . 1 39 39 ALA CA C 13 55.328 0.000 . 1 . . . . . 813 A CA . 52906 1
186 . 1 . 1 39 39 ALA CB C 13 17.953 0.000 . 1 . . . . . 813 A CB . 52906 1
187 . 1 . 1 39 39 ALA N N 15 119.614 0.000 . 1 . . . . . 813 A N . 52906 1
188 . 1 . 1 40 40 CYS H H 1 7.014 0.000 . 1 . . . . . 814 C H . 52906 1
189 . 1 . 1 40 40 CYS C C 13 175.229 0.000 . 1 . . . . . 814 C C . 52906 1
190 . 1 . 1 40 40 CYS CA C 13 62.647 0.000 . 1 . . . . . 814 C CA . 52906 1
191 . 1 . 1 40 40 CYS CB C 13 29.007 0.000 . 1 . . . . . 814 C CB . 52906 1
192 . 1 . 1 40 40 CYS N N 15 118.728 0.000 . 1 . . . . . 814 C N . 52906 1
193 . 1 . 1 41 41 MET H H 1 7.111 0.000 . 1 . . . . . 815 M H . 52906 1
194 . 1 . 1 41 41 MET C C 13 177.259 0.000 . 1 . . . . . 815 M C . 52906 1
195 . 1 . 1 41 41 MET CA C 13 52.114 0.000 . 1 . . . . . 815 M CA . 52906 1
196 . 1 . 1 41 41 MET CB C 13 30.012 0.000 . 1 . . . . . 815 M CB . 52906 1
197 . 1 . 1 41 41 MET N N 15 110.534 0.000 . 1 . . . . . 815 M N . 52906 1
198 . 1 . 1 42 42 GLY H H 1 7.817 0.000 . 1 . . . . . 816 G H . 52906 1
199 . 1 . 1 42 42 GLY C C 13 173.407 0.000 . 1 . . . . . 816 G C . 52906 1
200 . 1 . 1 42 42 GLY CA C 13 46.073 0.000 . 1 . . . . . 816 G CA . 52906 1
201 . 1 . 1 42 42 GLY N N 15 106.989 0.000 . 1 . . . . . 816 G N . 52906 1
202 . 1 . 1 43 43 LEU H H 1 7.675 0.000 . 1 . . . . . 817 L H . 52906 1
203 . 1 . 1 43 43 LEU C C 13 175.788 0.000 . 1 . . . . . 817 L C . 52906 1
204 . 1 . 1 43 43 LEU CA C 13 53.395 0.000 . 1 . . . . . 817 L CA . 52906 1
205 . 1 . 1 43 43 LEU CB C 13 44.984 0.000 . 1 . . . . . 817 L CB . 52906 1
206 . 1 . 1 43 43 LEU N N 15 119.136 0.000 . 1 . . . . . 817 L N . 52906 1
207 . 1 . 1 44 44 THR H H 1 8.541 0.000 . 1 . . . . . 818 T H . 52906 1
208 . 1 . 1 44 44 THR C C 13 174.939 0.000 . 1 . . . . . 818 T C . 52906 1
209 . 1 . 1 44 44 THR CA C 13 60.194 0.000 . 1 . . . . . 818 T CA . 52906 1
210 . 1 . 1 44 44 THR CB C 13 72.24 0.000 . 1 . . . . . 818 T CB . 52906 1
211 . 1 . 1 44 44 THR N N 15 111.014 0.000 . 1 . . . . . 818 T N . 52906 1
212 . 1 . 1 45 45 LEU H H 1 8.33 0.000 . 1 . . . . . 819 L H . 52906 1
213 . 1 . 1 45 45 LEU C C 13 177.319 0.000 . 1 . . . . . 819 L C . 52906 1
214 . 1 . 1 45 45 LEU CA C 13 57.114 0.000 . 1 . . . . . 819 L CA . 52906 1
215 . 1 . 1 45 45 LEU CB C 13 41.96 0.000 . 1 . . . . . 819 L CB . 52906 1
216 . 1 . 1 45 45 LEU N N 15 119.578 0.000 . 1 . . . . . 819 L N . 52906 1
217 . 1 . 1 46 46 LYS H H 1 7.984 0.000 . 1 . . . . . 820 K H . 52906 1
218 . 1 . 1 46 46 LYS C C 13 176.741 0.000 . 1 . . . . . 820 K C . 52906 1
219 . 1 . 1 46 46 LYS CA C 13 55.994 0.000 . 1 . . . . . 820 K CA . 52906 1
220 . 1 . 1 46 46 LYS CB C 13 32.681 0.000 . 1 . . . . . 820 K CB . 52906 1
221 . 1 . 1 46 46 LYS N N 15 116.684 0.000 . 1 . . . . . 820 K N . 52906 1
222 . 1 . 1 47 47 SER H H 1 7.775 0.000 . 1 . . . . . 821 S H . 52906 1
223 . 1 . 1 47 47 SER C C 13 172.878 0.000 . 1 . . . . . 821 S C . 52906 1
224 . 1 . 1 47 47 SER CA C 13 59.775 0.000 . 1 . . . . . 821 S CA . 52906 1
225 . 1 . 1 47 47 SER CB C 13 63.771 0.000 . 1 . . . . . 821 S CB . 52906 1
226 . 1 . 1 47 47 SER N N 15 117.643 0.000 . 1 . . . . . 821 S N . 52906 1
227 . 1 . 1 48 48 ASN C C 13 176.217 0.000 . 1 . . . . . 822 N C . 52906 1
228 . 1 . 1 48 48 ASN CA C 13 53.333 0.000 . 1 . . . . . 822 N CA . 52906 1
229 . 1 . 1 48 48 ASN CB C 13 38.227 0.000 . 1 . . . . . 822 N CB . 52906 1
230 . 1 . 1 49 49 THR H H 1 8.569 0.000 . 1 . . . . . 823 T H . 52906 1
231 . 1 . 1 49 49 THR C C 13 174.793 0.000 . 1 . . . . . 823 T C . 52906 1
232 . 1 . 1 49 49 THR CA C 13 61.446 0.000 . 1 . . . . . 823 T CA . 52906 1
233 . 1 . 1 49 49 THR CB C 13 68.62 0.000 . 1 . . . . . 823 T CB . 52906 1
234 . 1 . 1 49 49 THR N N 15 116.849 0.000 . 1 . . . . . 823 T N . 52906 1
235 . 1 . 1 50 50 SER H H 1 8.096 0.000 . 1 . . . . . 824 S H . 52906 1
236 . 1 . 1 50 50 SER C C 13 174.707 0.000 . 1 . . . . . 824 S C . 52906 1
237 . 1 . 1 50 50 SER CA C 13 60.499 0.000 . 1 . . . . . 824 S CA . 52906 1
238 . 1 . 1 50 50 SER CB C 13 63.357 0.000 . 1 . . . . . 824 S CB . 52906 1
239 . 1 . 1 50 50 SER N N 15 119.062 0.000 . 1 . . . . . 824 S N . 52906 1
240 . 1 . 1 51 51 LYS H H 1 8.606 0.000 . 1 . . . . . 825 K H . 52906 1
241 . 1 . 1 51 51 LYS C C 13 175.644 0.000 . 1 . . . . . 825 K C . 52906 1
242 . 1 . 1 51 51 LYS CA C 13 55.739 0.000 . 1 . . . . . 825 K CA . 52906 1
243 . 1 . 1 51 51 LYS CB C 13 31.064 0.000 . 1 . . . . . 825 K CB . 52906 1
244 . 1 . 1 51 51 LYS N N 15 120.965 0.000 . 1 . . . . . 825 K N . 52906 1
245 . 1 . 1 52 52 TYR H H 1 7.649 0.000 . 1 . . . . . 826 Y H . 52906 1
246 . 1 . 1 52 52 TYR C C 13 174.344 0.000 . 1 . . . . . 826 Y C . 52906 1
247 . 1 . 1 52 52 TYR CA C 13 60.392 0.000 . 1 . . . . . 826 Y CA . 52906 1
248 . 1 . 1 52 52 TYR CB C 13 39.521 0.000 . 1 . . . . . 826 Y CB . 52906 1
249 . 1 . 1 52 52 TYR N N 15 122.303 0.000 . 1 . . . . . 826 Y N . 52906 1
250 . 1 . 1 53 53 LYS H H 1 6.81 0.000 . 1 . . . . . 827 K H . 52906 1
251 . 1 . 1 53 53 LYS C C 13 175.349 0.000 . 1 . . . . . 827 K C . 52906 1
252 . 1 . 1 53 53 LYS CA C 13 53.541 0.000 . 1 . . . . . 827 K CA . 52906 1
253 . 1 . 1 53 53 LYS CB C 13 39.465 0.000 . 1 . . . . . 827 K CB . 52906 1
254 . 1 . 1 53 53 LYS N N 15 125.528 0.000 . 1 . . . . . 827 K N . 52906 1
255 . 1 . 1 54 54 CYS H H 1 10.105 0.000 . 1 . . . . . 828 C H . 52906 1
256 . 1 . 1 54 54 CYS C C 13 173.321 0.000 . 1 . . . . . 828 C C . 52906 1
257 . 1 . 1 54 54 CYS CA C 13 58.872 0.000 . 1 . . . . . 828 C CA . 52906 1
258 . 1 . 1 54 54 CYS CB C 13 29.918 0.000 . 1 . . . . . 828 C CB . 52906 1
259 . 1 . 1 54 54 CYS N N 15 124.697 0.000 . 1 . . . . . 828 C N . 52906 1
260 . 1 . 1 55 55 GLU H H 1 10.296 0.000 . 1 . . . . . 829 E H . 52906 1
261 . 1 . 1 55 55 GLU C C 13 175.909 0.000 . 1 . . . . . 829 E C . 52906 1
262 . 1 . 1 55 55 GLU CA C 13 56.951 0.000 . 1 . . . . . 829 E CA . 52906 1
263 . 1 . 1 55 55 GLU CB C 13 27.462 0.000 . 1 . . . . . 829 E CB . 52906 1
264 . 1 . 1 55 55 GLU N N 15 121.908 0.000 . 1 . . . . . 829 E N . 52906 1
265 . 1 . 1 56 56 MET H H 1 8.592 0.000 . 1 . . . . . 830 M H . 52906 1
266 . 1 . 1 56 56 MET C C 13 177.61 0.000 . 1 . . . . . 830 M C . 52906 1
267 . 1 . 1 56 56 MET CA C 13 57.122 0.000 . 1 . . . . . 830 M CA . 52906 1
268 . 1 . 1 56 56 MET CB C 13 31.88 0.000 . 1 . . . . . 830 M CB . 52906 1
269 . 1 . 1 56 56 MET N N 15 123.146 0.000 . 1 . . . . . 830 M N . 52906 1
270 . 1 . 1 57 57 CYS H H 1 7.911 0.000 . 1 . . . . . 831 C H . 52906 1
271 . 1 . 1 57 57 CYS C C 13 175.524 0.000 . 1 . . . . . 831 C C . 52906 1
272 . 1 . 1 57 57 CYS CA C 13 63.604 0.000 . 1 . . . . . 831 C CA . 52906 1
273 . 1 . 1 57 57 CYS CB C 13 29.843 0.000 . 1 . . . . . 831 C CB . 52906 1
274 . 1 . 1 57 57 CYS N N 15 123.482 0.000 . 1 . . . . . 831 C N . 52906 1
275 . 1 . 1 58 58 LEU H H 1 8.081 0.000 . 1 . . . . . 832 L H . 52906 1
276 . 1 . 1 58 58 LEU C C 13 170.572 0.000 . 1 . . . . . 832 L C . 52906 1
277 . 1 . 1 58 58 LEU CA C 13 52.053 0.000 . 1 . . . . . 832 L CA . 52906 1
278 . 1 . 1 58 58 LEU CB C 13 43.293 0.000 . 1 . . . . . 832 L CB . 52906 1
279 . 1 . 1 58 58 LEU N N 15 121.667 0.000 . 1 . . . . . 832 L N . 52906 1
280 . 1 . 1 59 59 PRO C C 13 176.135 0.000 . 1 . . . . . 833 P C . 52906 1
281 . 1 . 1 59 59 PRO CA C 13 64.323 0.000 . 1 . . . . . 833 P CA . 52906 1
282 . 1 . 1 59 59 PRO CB C 13 32.104 0.000 . 1 . . . . . 833 P CB . 52906 1
283 . 1 . 1 60 60 ARG H H 1 7.43 0.000 . 1 . . . . . 834 R H . 52906 1
284 . 1 . 1 60 60 ARG C C 13 172.926 0.000 . 1 . . . . . 834 R C . 52906 1
285 . 1 . 1 60 60 ARG CA C 13 54.226 0.000 . 1 . . . . . 834 R CA . 52906 1
286 . 1 . 1 60 60 ARG CB C 13 30.257 0.000 . 1 . . . . . 834 R CB . 52906 1
287 . 1 . 1 60 60 ARG N N 15 118.125 0.000 . 1 . . . . . 834 R N . 52906 1
288 . 1 . 1 61 61 ARG H H 1 8.399 0.000 . 1 . . . . . 835 R H . 52906 1
289 . 1 . 1 61 61 ARG C C 13 176.052 0.000 . 1 . . . . . 835 R C . 52906 1
290 . 1 . 1 61 61 ARG CA C 13 55.827 0.000 . 1 . . . . . 835 R CA . 52906 1
291 . 1 . 1 61 61 ARG CB C 13 30.152 0.000 . 1 . . . . . 835 R CB . 52906 1
292 . 1 . 1 61 61 ARG N N 15 120.063 0.000 . 1 . . . . . 835 R N . 52906 1
293 . 1 . 1 62 62 LEU H H 1 8.851 0.000 . 1 . . . . . 836 L H . 52906 1
294 . 1 . 1 62 62 LEU C C 13 176.004 0.000 . 1 . . . . . 836 L C . 52906 1
295 . 1 . 1 62 62 LEU CA C 13 52.589 0.000 . 1 . . . . . 836 L CA . 52906 1
296 . 1 . 1 62 62 LEU CB C 13 41.512 0.000 . 1 . . . . . 836 L CB . 52906 1
297 . 1 . 1 62 62 LEU N N 15 128.563 0.000 . 1 . . . . . 836 L N . 52906 1
298 . 1 . 1 63 63 PRO C C 13 174.723 0.000 . 1 . . . . . 837 P C . 52906 1
299 . 1 . 1 63 63 PRO CA C 13 64.215 0.000 . 1 . . . . . 837 P CA . 52906 1
300 . 1 . 1 63 63 PRO CB C 13 32.132 0.000 . 1 . . . . . 837 P CB . 52906 1
301 . 1 . 1 64 64 VAL H H 1 6.751 0.000 . 1 . . . . . 838 V H . 52906 1
302 . 1 . 1 64 64 VAL C C 13 174.748 0.000 . 1 . . . . . 838 V C . 52906 1
303 . 1 . 1 64 64 VAL CA C 13 59.029 0.000 . 1 . . . . . 838 V CA . 52906 1
304 . 1 . 1 64 64 VAL CB C 13 35.271 0.000 . 1 . . . . . 838 V CB . 52906 1
305 . 1 . 1 64 64 VAL N N 15 113.041 0.000 . 1 . . . . . 838 V N . 52906 1
306 . 1 . 1 65 65 SER H H 1 8.826 0.000 . 1 . . . . . 839 S H . 52906 1
307 . 1 . 1 65 65 SER C C 13 174.163 0.000 . 1 . . . . . 839 S C . 52906 1
308 . 1 . 1 65 65 SER CA C 13 57.25 0.000 . 1 . . . . . 839 S CA . 52906 1
309 . 1 . 1 65 65 SER CB C 13 65.672 0.000 . 1 . . . . . 839 S CB . 52906 1
310 . 1 . 1 65 65 SER N N 15 120.187 0.000 . 1 . . . . . 839 S N . 52906 1
311 . 1 . 1 66 66 LYS H H 1 8.868 0.000 . 1 . . . . . 840 K H . 52906 1
312 . 1 . 1 66 66 LYS C C 13 177.684 0.000 . 1 . . . . . 840 K C . 52906 1
313 . 1 . 1 66 66 LYS CA C 13 60.667 0.000 . 1 . . . . . 840 K CA . 52906 1
314 . 1 . 1 66 66 LYS CB C 13 32.487 0.000 . 1 . . . . . 840 K CB . 52906 1
315 . 1 . 1 66 66 LYS N N 15 122.665 0.000 . 1 . . . . . 840 K N . 52906 1
316 . 1 . 1 67 67 ALA H H 1 8.265 0.000 . 1 . . . . . 841 A H . 52906 1
317 . 1 . 1 67 67 ALA C C 13 180.895 0.000 . 1 . . . . . 841 A C . 52906 1
318 . 1 . 1 67 67 ALA CA C 13 54.884 0.000 . 1 . . . . . 841 A CA . 52906 1
319 . 1 . 1 67 67 ALA CB C 13 18.583 0.000 . 1 . . . . . 841 A CB . 52906 1
320 . 1 . 1 67 67 ALA N N 15 118.853 0.000 . 1 . . . . . 841 A N . 52906 1
321 . 1 . 1 68 68 GLU H H 1 7.828 0.000 . 1 . . . . . 842 E H . 52906 1
322 . 1 . 1 68 68 GLU C C 13 178.721 0.000 . 1 . . . . . 842 E C . 52906 1
323 . 1 . 1 68 68 GLU CA C 13 58.837 0.000 . 1 . . . . . 842 E CA . 52906 1
324 . 1 . 1 68 68 GLU CB C 13 30.039 0.000 . 1 . . . . . 842 E CB . 52906 1
325 . 1 . 1 68 68 GLU N N 15 118.888 0.000 . 1 . . . . . 842 E N . 52906 1
326 . 1 . 1 69 69 ALA H H 1 8.871 0.000 . 1 . . . . . 843 A H . 52906 1
327 . 1 . 1 69 69 ALA C C 13 180.106 0.000 . 1 . . . . . 843 A C . 52906 1
328 . 1 . 1 69 69 ALA CA C 13 54.924 0.000 . 1 . . . . . 843 A CA . 52906 1
329 . 1 . 1 69 69 ALA CB C 13 17.772 0.000 . 1 . . . . . 843 A CB . 52906 1
330 . 1 . 1 69 69 ALA N N 15 124.667 0.000 . 1 . . . . . 843 A N . 52906 1
331 . 1 . 1 70 70 ALA H H 1 8.509 0.000 . 1 . . . . . 844 A H . 52906 1
332 . 1 . 1 70 70 ALA C C 13 179.159 0.000 . 1 . . . . . 844 A C . 52906 1
333 . 1 . 1 70 70 ALA CA C 13 55.385 0.000 . 1 . . . . . 844 A CA . 52906 1
334 . 1 . 1 70 70 ALA CB C 13 18.013 0.000 . 1 . . . . . 844 A CB . 52906 1
335 . 1 . 1 70 70 ALA N N 15 121.222 0.000 . 1 . . . . . 844 A N . 52906 1
336 . 1 . 1 71 71 ARG H H 1 7.804 0.000 . 1 . . . . . 845 R H . 52906 1
337 . 1 . 1 71 71 ARG C C 13 179.135 0.000 . 1 . . . . . 845 R C . 52906 1
338 . 1 . 1 71 71 ARG CA C 13 59.431 0.000 . 1 . . . . . 845 R CA . 52906 1
339 . 1 . 1 71 71 ARG CB C 13 30.413 0.000 . 1 . . . . . 845 R CB . 52906 1
340 . 1 . 1 71 71 ARG N N 15 118.002 0.000 . 1 . . . . . 845 R N . 52906 1
341 . 1 . 1 72 72 GLU H H 1 7.937 0.000 . 1 . . . . . 846 E H . 52906 1
342 . 1 . 1 72 72 GLU C C 13 178.45 0.000 . 1 . . . . . 846 E C . 52906 1
343 . 1 . 1 72 72 GLU CA C 13 58.361 0.000 . 1 . . . . . 846 E CA . 52906 1
344 . 1 . 1 72 72 GLU CB C 13 28.535 0.000 . 1 . . . . . 846 E CB . 52906 1
345 . 1 . 1 72 72 GLU N N 15 120.327 0.000 . 1 . . . . . 846 E N . 52906 1
346 . 1 . 1 73 73 GLN H H 1 8.068 0.000 . 1 . . . . . 847 Q H . 52906 1
347 . 1 . 1 73 73 GLN C C 13 174.874 0.000 . 1 . . . . . 847 Q C . 52906 1
348 . 1 . 1 73 73 GLN CA C 13 58.075 0.000 . 1 . . . . . 847 Q CA . 52906 1
349 . 1 . 1 73 73 GLN CB C 13 29.275 0.000 . 1 . . . . . 847 Q CB . 52906 1
350 . 1 . 1 73 73 GLN N N 15 117.277 0.000 . 1 . . . . . 847 Q N . 52906 1
351 . 1 . 1 74 74 GLU H H 1 8.27 0.000 . 1 . . . . . 848 E H . 52906 1
352 . 1 . 1 74 74 GLU C C 13 178.424 0.000 . 1 . . . . . 848 E C . 52906 1
353 . 1 . 1 74 74 GLU CA C 13 59.959 0.000 . 1 . . . . . 848 E CA . 52906 1
354 . 1 . 1 74 74 GLU CB C 13 29.255 0.000 . 1 . . . . . 848 E CB . 52906 1
355 . 1 . 1 74 74 GLU N N 15 118.853 0.000 . 1 . . . . . 848 E N . 52906 1
356 . 1 . 1 75 75 ARG H H 1 7.564 0.000 . 1 . . . . . 849 R H . 52906 1
357 . 1 . 1 75 75 ARG C C 13 179.366 0.000 . 1 . . . . . 849 R C . 52906 1
358 . 1 . 1 75 75 ARG CA C 13 60.011 0.000 . 1 . . . . . 849 R CA . 52906 1
359 . 1 . 1 75 75 ARG CB C 13 30.311 0.000 . 1 . . . . . 849 R CB . 52906 1
360 . 1 . 1 75 75 ARG N N 15 119.731 0.000 . 1 . . . . . 849 R N . 52906 1
361 . 1 . 1 76 76 ILE H H 1 8.199 0.000 . 1 . . . . . 850 I H . 52906 1
362 . 1 . 1 76 76 ILE C C 13 178.156 0.000 . 1 . . . . . 850 I C . 52906 1
363 . 1 . 1 76 76 ILE CA C 13 65.567 0.000 . 1 . . . . . 850 I CA . 52906 1
364 . 1 . 1 76 76 ILE CB C 13 38.583 0.000 . 1 . . . . . 850 I CB . 52906 1
365 . 1 . 1 76 76 ILE N N 15 122.251 0.000 . 1 . . . . . 850 I N . 52906 1
366 . 1 . 1 77 77 LEU H H 1 8.582 0.000 . 1 . . . . . 851 L H . 52906 1
367 . 1 . 1 77 77 LEU C C 13 179.118 0.000 . 1 . . . . . 851 L C . 52906 1
368 . 1 . 1 77 77 LEU CA C 13 57.992 0.000 . 1 . . . . . 851 L CA . 52906 1
369 . 1 . 1 77 77 LEU CB C 13 41.621 0.000 . 1 . . . . . 851 L CB . 52906 1
370 . 1 . 1 77 77 LEU N N 15 120.428 0.000 . 1 . . . . . 851 L N . 52906 1
371 . 1 . 1 78 78 ASN H H 1 8.144 0.000 . 1 . . . . . 852 N H . 52906 1
372 . 1 . 1 78 78 ASN C C 13 177.841 0.000 . 1 . . . . . 852 N C . 52906 1
373 . 1 . 1 78 78 ASN CA C 13 56.26 0.000 . 1 . . . . . 852 N CA . 52906 1
374 . 1 . 1 78 78 ASN CB C 13 38.243 0.000 . 1 . . . . . 852 N CB . 52906 1
375 . 1 . 1 78 78 ASN N N 15 117.401 0.000 . 1 . . . . . 852 N N . 52906 1
376 . 1 . 1 79 79 ARG H H 1 7.79 0.000 . 1 . . . . . 853 R H . 52906 1
377 . 1 . 1 79 79 ARG C C 13 178.888 0.000 . 1 . . . . . 853 R C . 52906 1
378 . 1 . 1 79 79 ARG CA C 13 59.208 0.000 . 1 . . . . . 853 R CA . 52906 1
379 . 1 . 1 79 79 ARG CB C 13 30.138 0.000 . 1 . . . . . 853 R CB . 52906 1
380 . 1 . 1 79 79 ARG N N 15 120.772 0.000 . 1 . . . . . 853 R N . 52906 1
381 . 1 . 1 80 80 LEU H H 1 8.328 0.000 . 1 . . . . . 854 L H . 52906 1
382 . 1 . 1 80 80 LEU C C 13 179.68 0.000 . 1 . . . . . 854 L C . 52906 1
383 . 1 . 1 80 80 LEU CA C 13 57.704 0.000 . 1 . . . . . 854 L CA . 52906 1
384 . 1 . 1 80 80 LEU CB C 13 41.946 0.000 . 1 . . . . . 854 L CB . 52906 1
385 . 1 . 1 80 80 LEU N N 15 121.095 0.000 . 1 . . . . . 854 L N . 52906 1
386 . 1 . 1 81 81 ARG H H 1 8.34 0.000 . 1 . . . . . 855 R H . 52906 1
387 . 1 . 1 81 81 ARG C C 13 178.095 0.000 . 1 . . . . . 855 R C . 52906 1
388 . 1 . 1 81 81 ARG CA C 13 58.519 0.000 . 1 . . . . . 855 R CA . 52906 1
389 . 1 . 1 81 81 ARG CB C 13 30.159 0.000 . 1 . . . . . 855 R CB . 52906 1
390 . 1 . 1 81 81 ARG N N 15 119.487 0.000 . 1 . . . . . 855 R N . 52906 1
391 . 1 . 1 82 82 ALA H H 1 7.728 0.000 . 1 . . . . . 856 A H . 52906 1
392 . 1 . 1 82 82 ALA C C 13 179.116 0.000 . 1 . . . . . 856 A C . 52906 1
393 . 1 . 1 82 82 ALA CA C 13 54.424 0.000 . 1 . . . . . 856 A CA . 52906 1
394 . 1 . 1 82 82 ALA CB C 13 18.602 0.000 . 1 . . . . . 856 A CB . 52906 1
395 . 1 . 1 82 82 ALA N N 15 121.939 0.000 . 1 . . . . . 856 A N . 52906 1
396 . 1 . 1 83 83 ALA H H 1 7.817 0.000 . 1 . . . . . 857 A H . 52906 1
397 . 1 . 1 83 83 ALA C C 13 178.541 0.000 . 1 . . . . . 857 A C . 52906 1
398 . 1 . 1 83 83 ALA CA C 13 53.831 0.000 . 1 . . . . . 857 A CA . 52906 1
399 . 1 . 1 83 83 ALA CB C 13 18.602 0.000 . 1 . . . . . 857 A CB . 52906 1
400 . 1 . 1 83 83 ALA N N 15 120.833 0.000 . 1 . . . . . 857 A N . 52906 1
401 . 1 . 1 84 84 ALA H H 1 7.771 0.000 . 1 . . . . . 858 A H . 52906 1
402 . 1 . 1 84 84 ALA C C 13 178.441 0.000 . 1 . . . . . 858 A C . 52906 1
403 . 1 . 1 84 84 ALA CA C 13 53.488 0.000 . 1 . . . . . 858 A CA . 52906 1
404 . 1 . 1 84 84 ALA CB C 13 18.819 0.000 . 1 . . . . . 858 A CB . 52906 1
405 . 1 . 1 84 84 ALA N N 15 121.035 0.000 . 1 . . . . . 858 A N . 52906 1
406 . 1 . 1 85 85 ARG H H 1 7.8 0.000 . 1 . . . . . 859 R H . 52906 1
407 . 1 . 1 85 85 ARG C C 13 176.639 0.000 . 1 . . . . . 859 R C . 52906 1
408 . 1 . 1 85 85 ARG CA C 13 57.27 0.000 . 1 . . . . . 859 R CA . 52906 1
409 . 1 . 1 85 85 ARG CB C 13 30.63 0.000 . 1 . . . . . 859 R CB . 52906 1
410 . 1 . 1 85 85 ARG N N 15 118.488 0.000 . 1 . . . . . 859 R N . 52906 1
411 . 1 . 1 86 86 LYS H H 1 7.919 0.000 . 1 . . . . . 860 K H . 52906 1
412 . 1 . 1 86 86 LYS C C 13 176.527 0.000 . 1 . . . . . 860 K C . 52906 1
413 . 1 . 1 86 86 LYS CA C 13 56.964 0.000 . 1 . . . . . 860 K CA . 52906 1
414 . 1 . 1 86 86 LYS CB C 13 32.904 0.000 . 1 . . . . . 860 K CB . 52906 1
415 . 1 . 1 86 86 LYS N N 15 120.79 0.000 . 1 . . . . . 860 K N . 52906 1
416 . 1 . 1 87 87 GLN H H 1 8.081 0.000 . 1 . . . . . 861 Q H . 52906 1
417 . 1 . 1 87 87 GLN C C 13 175.657 0.000 . 1 . . . . . 861 Q C . 52906 1
418 . 1 . 1 87 87 GLN CA C 13 56.139 0.000 . 1 . . . . . 861 Q CA . 52906 1
419 . 1 . 1 87 87 GLN CB C 13 29.61 0.000 . 1 . . . . . 861 Q CB . 52906 1
420 . 1 . 1 87 87 GLN N N 15 120.429 0.000 . 1 . . . . . 861 Q N . 52906 1
421 . 1 . 1 88 88 LYS H H 1 8.208 0.000 . 1 . . . . . 862 K H . 52906 1
422 . 1 . 1 88 88 LYS C C 13 176.1 0.000 . 1 . . . . . 862 K C . 52906 1
423 . 1 . 1 88 88 LYS CA C 13 56.433 0.000 . 1 . . . . . 862 K CA . 52906 1
424 . 1 . 1 88 88 LYS CB C 13 33.031 0.000 . 1 . . . . . 862 K CB . 52906 1
425 . 1 . 1 88 88 LYS N N 15 122.633 0.000 . 1 . . . . . 862 K N . 52906 1
426 . 1 . 1 89 89 ARG H H 1 8.31 0.000 . 1 . . . . . 863 R H . 52906 1
427 . 1 . 1 89 89 ARG C C 13 175.814 0.000 . 1 . . . . . 863 R C . 52906 1
428 . 1 . 1 89 89 ARG CA C 13 56.131 0.000 . 1 . . . . . 863 R CA . 52906 1
429 . 1 . 1 89 89 ARG CB C 13 31.045 0.000 . 1 . . . . . 863 R CB . 52906 1
430 . 1 . 1 89 89 ARG N N 15 122.658 0.000 . 1 . . . . . 863 R N . 52906 1
431 . 1 . 1 90 90 LYS H H 1 8.389 0.000 . 1 . . . . . 864 K H . 52906 1
432 . 1 . 1 90 90 LYS C C 13 175.999 0.000 . 1 . . . . . 864 K C . 52906 1
433 . 1 . 1 90 90 LYS CA C 13 56.578 0.000 . 1 . . . . . 864 K CA . 52906 1
434 . 1 . 1 90 90 LYS CB C 13 33.204 0.000 . 1 . . . . . 864 K CB . 52906 1
435 . 1 . 1 90 90 LYS N N 15 123.153 0.000 . 1 . . . . . 864 K N . 52906 1
436 . 1 . 1 91 91 SER H H 1 8.334 0.000 . 1 . . . . . 865 S H . 52906 1
437 . 1 . 1 91 91 SER C C 13 173.077 0.000 . 1 . . . . . 865 S C . 52906 1
438 . 1 . 1 91 91 SER CA C 13 58.502 0.000 . 1 . . . . . 865 S CA . 52906 1
439 . 1 . 1 91 91 SER CB C 13 63.975 0.000 . 1 . . . . . 865 S CB . 52906 1
440 . 1 . 1 91 91 SER N N 15 117.648 0.000 . 1 . . . . . 865 S N . 52906 1
441 . 1 . 1 92 92 GLU H H 1 7.957 0.000 . 1 . . . . . 866 E H . 52906 1
442 . 1 . 1 92 92 GLU C C 13 180.655 0.000 . 1 . . . . . 866 E C . 52906 1
443 . 1 . 1 92 92 GLU CA C 13 58.058 0.000 . 1 . . . . . 866 E CA . 52906 1
444 . 1 . 1 92 92 GLU CB C 13 31.166 0.000 . 1 . . . . . 866 E CB . 52906 1
445 . 1 . 1 92 92 GLU N N 15 127.701 0.000 . 1 . . . . . 866 E N . 52906 1
stop_
save_