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 27731
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.006
_Assigned_chem_shift_list.Chem_shift_13C_err 0.031
_Assigned_chem_shift_list.Chem_shift_15N_err 0.058
_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
;
A designates that the subunit that contains this residue is bound to the bis-THF side of the inhibitor.
B designates that the subunit that contains this residue is bound to the aniline side of the inhibitor.
If blank, the assignment to the bis-THF or aniline functional group part of the inhibitor is unknown.
;
_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' . . . 27731 1
2 '3D HNCA' . . . 27731 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 $NMRPipe . . 27731 1
2 $NMRDraw . . 27731 1
3 $TOPSPIN . . 27731 1
4 $Analysis . . 27731 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 1 1 PRO CA C 13 62.055 0.031 . 6 . . . . . 1 PRO CA . 27731 1
2 . 1 . 1 2 2 GLN H H 1 8.54 0.006 . 6 . . . . . 2 GLN H . 27731 1
3 . 1 . 1 2 2 GLN CA C 13 55.557 0.031 . 6 . . . . . 2 GLN CA . 27731 1
4 . 1 . 1 2 2 GLN N N 15 120.356 0.058 . 6 . . . . . 2 GLN N . 27731 1
5 . 1 . 1 3 3 ILE H H 1 9.424 0.006 . 6 . . . . . 3 ILE H . 27731 1
6 . 1 . 1 3 3 ILE CA C 13 60.596 0.031 . 6 . . . . . 3 ILE CA . 27731 1
7 . 1 . 1 3 3 ILE N N 15 127.87 0.058 . 6 . . . . . 3 ILE N . 27731 1
8 . 1 . 1 4 4 THR H H 1 8.343 0.006 . 6 . . . . . 4 THR H . 27731 1
9 . 1 . 1 4 4 THR CA C 13 60.789 0.031 . 6 . . . . . 4 THR CA . 27731 1
10 . 1 . 1 4 4 THR N N 15 115.499 0.058 . 6 . . . . . 4 THR N . 27731 1
11 . 1 . 1 5 5 LEU H H 1 9.155 0.006 . 6 . . . . . 5 LEU H . 27731 1
12 . 1 . 1 5 5 LEU CA C 13 54.065 0.031 . 6 . . . . . 5 LEU CA . 27731 1
13 . 1 . 1 5 5 LEU N N 15 116.841 0.058 . 6 . . . . . 5 LEU N . 27731 1
14 . 1 . 1 6 6 TRP H H 1 7.331 0.006 . 6 . . . . . 6 TRP H . 27731 1
15 . 1 . 1 6 6 TRP CA C 13 59.169 0.031 . 6 . . . . . 6 TRP CA . 27731 1
16 . 1 . 1 6 6 TRP N N 15 120.866 0.058 . 6 . . . . . 6 TRP N . 27731 1
17 . 1 . 1 7 7 LYS H H 1 7.48 0.006 . 6 . . . . . 7 LYS H . 27731 1
18 . 1 . 1 7 7 LYS CA C 13 53.542 0.031 . 6 . . . . . 7 LYS CA . 27731 1
19 . 1 . 1 7 7 LYS N N 15 115.278 0.058 . 6 . . . . . 7 LYS N . 27731 1
20 . 1 . 1 8 8 ARG H H 1 8.758 0.006 . 6 . . . . . 8 ARG H . 27731 1
21 . 1 . 1 8 8 ARG CA C 13 56.275 0.031 . 6 . . . . . 8 ARG CA . 27731 1
22 . 1 . 1 8 8 ARG N N 15 120.508 0.058 . 6 . . . . . 8 ARG N . 27731 1
23 . 1 . 1 9 9 PRO CA C 13 61.699 0.031 . 6 . . . . . 9 PRO CA . 27731 1
24 . 1 . 1 10 10 ILE H H 1 7.579 0.006 . 6 . . . . . 10 ILE H . 27731 1
25 . 1 . 1 10 10 ILE CA C 13 59.196 0.031 . 6 . . . . . 10 ILE CA . 27731 1
26 . 1 . 1 10 10 ILE N N 15 127.05 0.058 . 6 . . . . . 10 ILE N . 27731 1
27 . 1 . 1 11 11 VAL H H 1 9.178 0.006 . 6 . . . . . 11 VAL H . 27731 1
28 . 1 . 1 11 11 VAL CA C 13 58.42 0.031 . 6 . . . . . 11 VAL CA . 27731 1
29 . 1 . 1 11 11 VAL N N 15 120.051 0.058 . 6 . . . . . 11 VAL N . 27731 1
30 . 1 . 1 12 12 THR H H 1 8.529 0.006 . 6 . . . . . 12 THR H . 27731 1
31 . 1 . 1 12 12 THR CA C 13 62.742 0.031 . 6 . . . . . 12 THR CA . 27731 1
32 . 1 . 1 12 12 THR N N 15 116.299 0.058 . 6 . . . . . 12 THR N . 27731 1
33 . 1 . 1 13 13 ILE H H 1 9.283 0.006 . 6 . . . . . 13 ILE H . 27731 1
34 . 1 . 1 13 13 ILE CA C 13 58.077 0.031 . 6 . . . . . 13 ILE CA . 27731 1
35 . 1 . 1 13 13 ILE N N 15 120.627 0.058 . 6 . . . . . 13 ILE N . 27731 1
36 . 1 . 1 14 14 ARG H H 1 8.606 0.006 . 6 . . . . . 14 ARG H . 27731 1
37 . 1 . 1 14 14 ARG CA C 13 54.626 0.031 . 6 . . . . . 14 ARG CA . 27731 1
38 . 1 . 1 14 14 ARG N N 15 120.591 0.058 . 6 . . . . . 14 ARG N . 27731 1
39 . 1 . 1 15 15 ILE H H 1 8.931 0.006 . 6 . . . . . 15 ILE H . 27731 1
40 . 1 . 1 15 15 ILE CA C 13 59.211 0.031 . 6 . . . . . 15 ILE CA . 27731 1
41 . 1 . 1 15 15 ILE N N 15 124.869 0.058 . 6 . . . . . 15 ILE N . 27731 1
42 . 1 . 1 16 16 GLY H H 1 9.745 0.006 . 6 . . . . . 16 GLY H . 27731 1
43 . 1 . 1 16 16 GLY CA C 13 46.928 0.031 . 6 . . . . . 16 GLY CA . 27731 1
44 . 1 . 1 16 16 GLY N N 15 118.241 0.058 . 6 . . . . . 16 GLY N . 27731 1
45 . 1 . 1 17 17 GLY H H 1 8.778 0.006 . 6 . . . . . 17 GLY H . 27731 1
46 . 1 . 1 17 17 GLY CA C 13 45.042 0.031 . 6 . . . . . 17 GLY CA . 27731 1
47 . 1 . 1 17 17 GLY N N 15 105.431 0.058 . 6 . . . . . 17 GLY N . 27731 1
48 . 1 . 1 18 18 GLN H H 1 8.003 0.006 . 6 . . . . . 18 GLN H . 27731 1
49 . 1 . 1 18 18 GLN CA C 13 54.323 0.031 . 6 . . . . . 18 GLN CA . 27731 1
50 . 1 . 1 18 18 GLN N N 15 120.034 0.058 . 6 . . . . . 18 GLN N . 27731 1
51 . 1 . 1 19 19 LEU H H 1 8.472 0.006 . 6 . . . . . 19 LEU H . 27731 1
52 . 1 . 1 19 19 LEU CA C 13 54.201 0.031 . 6 . . . . . 19 LEU CA . 27731 1
53 . 1 . 1 19 19 LEU N N 15 123.573 0.058 . 6 . . . . . 19 LEU N . 27731 1
54 . 1 . 1 20 20 LYS H H 1 9.011 0.006 . 6 . . . . . 20 LYS H . 27731 1
55 . 1 . 1 20 20 LYS CA C 13 54.114 0.031 . 6 . . . . . 20 LYS CA . 27731 1
56 . 1 . 1 20 20 LYS N N 15 123.538 0.058 . 6 . . . . . 20 LYS N . 27731 1
57 . 1 . 1 21 21 GLU H H 1 8.603 0.006 . 6 . . . . . 21 GLU H . 27731 1
58 . 1 . 1 21 21 GLU CA C 13 55.145 0.031 . 6 . . . . . 21 GLU CA . 27731 1
59 . 1 . 1 21 21 GLU N N 15 119.644 0.058 . 6 . . . . . 21 GLU N . 27731 1
60 . 1 . 1 22 22 ALA H H 1 9.275 0.006 . 1 . . . . . 22 ALA H A 27731 1
61 . 1 . 1 22 22 ALA CA C 13 50.878 0.031 . 1 . . . . . 22 ALA CA A 27731 1
62 . 1 . 1 22 22 ALA N N 15 123.792 0.058 . 1 . . . . . 22 ALA N A 27731 1
63 . 1 . 1 23 23 LEU H H 1 8.887 0.006 . 1 . . . . . 23 LEU H A 27731 1
64 . 1 . 1 23 23 LEU CA C 13 53.287 0.031 . 1 . . . . . 23 LEU CA A 27731 1
65 . 1 . 1 23 23 LEU N N 15 121.366 0.058 . 1 . . . . . 23 LEU N A 27731 1
66 . 1 . 1 24 24 LEU H H 1 8.424 0.006 . 1 . . . . . 24 LEU H A 27731 1
67 . 1 . 1 24 24 LEU CA C 13 55.559 0.031 . 1 . . . . . 24 LEU CA A 27731 1
68 . 1 . 1 24 24 LEU N N 15 124.792 0.058 . 1 . . . . . 24 LEU N A 27731 1
69 . 1 . 1 25 25 ASP H H 1 8.752 0.006 . 1 . . . . . 25 ASP H A 27731 1
70 . 1 . 1 25 25 ASP CA C 13 52.257 0.031 . 1 . . . . . 25 ASP CA A 27731 1
71 . 1 . 1 25 25 ASP N N 15 128.704 0.058 . 1 . . . . . 25 ASP N A 27731 1
72 . 1 . 1 26 26 THR H H 1 8.200 0.006 . 1 . . . . . 26 THR H A 27731 1
73 . 1 . 1 26 26 THR CA C 13 65.526 0.031 . 1 . . . . . 26 THR CA A 27731 1
74 . 1 . 1 26 26 THR N N 15 111.009 0.058 . 1 . . . . . 26 THR N A 27731 1
75 . 1 . 1 27 27 GLY H H 1 7.912 0.006 . 1 . . . . . 27 GLY H A 27731 1
76 . 1 . 1 27 27 GLY CA C 13 45.13 0.031 . 1 . . . . . 27 GLY CA A 27731 1
77 . 1 . 1 27 27 GLY N N 15 108.958 0.058 . 1 . . . . . 27 GLY N A 27731 1
78 . 1 . 1 28 28 ALA H H 1 7.521 0.006 . 1 . . . . . 28 ALA H A 27731 1
79 . 1 . 1 28 28 ALA CA C 13 50.08 0.031 . 1 . . . . . 28 ALA CA A 27731 1
80 . 1 . 1 28 28 ALA N N 15 126.297 0.058 . 1 . . . . . 28 ALA N A 27731 1
81 . 1 . 1 29 29 ASP H H 1 8.647 0.006 . 1 . . . . . 29 ASP H A 27731 1
82 . 1 . 1 29 29 ASP CA C 13 57.678 0.031 . 1 . . . . . 29 ASP CA A 27731 1
83 . 1 . 1 29 29 ASP N N 15 125.927 0.058 . 1 . . . . . 29 ASP N A 27731 1
84 . 1 . 1 30 30 ASP H H 1 7.622 0.006 . 1 . . . . . 30 ASP H A 27731 1
85 . 1 . 1 30 30 ASP CA C 13 52.84 0.031 . 1 . . . . . 30 ASP CA A 27731 1
86 . 1 . 1 30 30 ASP N N 15 115.929 0.058 . 1 . . . . . 30 ASP N A 27731 1
87 . 1 . 1 31 31 THR H H 1 8.322 0.006 . 1 . . . . . 31 THR H A 27731 1
88 . 1 . 1 31 31 THR CA C 13 63.041 0.031 . 1 . . . . . 31 THR CA A 27731 1
89 . 1 . 1 31 31 THR N N 15 117.328 0.058 . 1 . . . . . 31 THR N A 27731 1
90 . 1 . 1 32 32 VAL H H 1 8.287 0.006 . 1 . . . . . 32 VAL H A 27731 1
91 . 1 . 1 32 32 VAL CA C 13 60.304 0.031 . 1 . . . . . 32 VAL CA A 27731 1
92 . 1 . 1 32 32 VAL N N 15 127.947 0.058 . 1 . . . . . 32 VAL N A 27731 1
93 . 1 . 1 33 33 ILE H H 1 9.232 0.006 . 1 . . . . . 33 ILE H A 27731 1
94 . 1 . 1 33 33 ILE CA C 13 56.984 0.031 . 1 . . . . . 33 ILE CA A 27731 1
95 . 1 . 1 33 33 ILE N N 15 125.658 0.058 . 1 . . . . . 33 ILE N A 27731 1
96 . 1 . 1 34 34 GLU H H 1 8.094 0.006 . 1 . . . . . 34 GLU H A 27731 1
97 . 1 . 1 34 34 GLU CA C 13 55.363 0.031 . 1 . . . . . 34 GLU CA A 27731 1
98 . 1 . 1 34 34 GLU N N 15 119.974 0.058 . 1 . . . . . 34 GLU N A 27731 1
99 . 1 . 1 35 35 GLU H H 1 7.526 0.006 . 1 . . . . . 35 GLU H A 27731 1
100 . 1 . 1 35 35 GLU CA C 13 58.163 0.031 . 1 . . . . . 35 GLU CA A 27731 1
101 . 1 . 1 35 35 GLU N N 15 115.33 0.058 . 1 . . . . . 35 GLU N A 27731 1
102 . 1 . 1 36 36 MET H H 1 7.021 0.006 . 1 . . . . . 36 MET H A 27731 1
103 . 1 . 1 36 36 MET CA C 13 54.707 0.031 . 1 . . . . . 36 MET CA A 27731 1
104 . 1 . 1 36 36 MET N N 15 120.47 0.058 . 1 . . . . . 36 MET N A 27731 1
105 . 1 . 1 37 37 ASN H H 1 8.649 0.006 . 6 . . . . . 37 ASN H . 27731 1
106 . 1 . 1 37 37 ASN CA C 13 52.667 0.031 . 6 . . . . . 37 ASN CA . 27731 1
107 . 1 . 1 37 37 ASN N N 15 118.911 0.058 . 6 . . . . . 37 ASN N . 27731 1
108 . 1 . 1 38 38 LEU H H 1 7.294 0.006 . 6 . . . . . 38 LEU H . 27731 1
109 . 1 . 1 38 38 LEU CA C 13 51.864 0.031 . 6 . . . . . 38 LEU CA . 27731 1
110 . 1 . 1 38 38 LEU N N 15 124.692 0.058 . 6 . . . . . 38 LEU N . 27731 1
111 . 1 . 1 39 39 PRO CA C 13 62.675 0.031 . 6 . . . . . 39 PRO CA . 27731 1
112 . 1 . 1 40 40 GLY H H 1 8.379 0.006 . 6 . . . . . 40 GLY H . 27731 1
113 . 1 . 1 40 40 GLY CA C 13 44.282 0.031 . 6 . . . . . 40 GLY CA . 27731 1
114 . 1 . 1 40 40 GLY N N 15 106.257 0.058 . 6 . . . . . 40 GLY N . 27731 1
115 . 1 . 1 41 41 LYS H H 1 8.40 0.006 . 6 . . . . . 41 LYS H . 27731 1
116 . 1 . 1 41 41 LYS CA C 13 56.225 0.031 . 6 . . . . . 41 LYS CA . 27731 1
117 . 1 . 1 41 41 LYS N N 15 119.198 0.058 . 6 . . . . . 41 LYS N . 27731 1
118 . 1 . 1 42 42 TRP H H 1 7.408 0.006 . 6 . . . . . 42 TRP H . 27731 1
119 . 1 . 1 42 42 TRP CA C 13 53.852 0.031 . 6 . . . . . 42 TRP CA . 27731 1
120 . 1 . 1 42 42 TRP N N 15 118.552 0.058 . 6 . . . . . 42 TRP N . 27731 1
121 . 1 . 1 43 43 LYS H H 1 8.445 0.006 . 6 . . . . . 43 LYS H . 27731 1
122 . 1 . 1 43 43 LYS CA C 13 52.884 0.031 . 6 . . . . . 43 LYS CA . 27731 1
123 . 1 . 1 43 43 LYS N N 15 118.085 0.058 . 6 . . . . . 43 LYS N . 27731 1
124 . 1 . 1 44 44 PRO CA C 13 63.166 0.031 . 6 . . . . . 44 PRO CA . 27731 1
125 . 1 . 1 45 45 LYS H H 1 8.587 0.006 . 1 . . . . . 45 LYS H A 27731 1
126 . 1 . 1 45 45 LYS CA C 13 55.635 0.031 . 1 . . . . . 45 LYS CA A 27731 1
127 . 1 . 1 45 45 LYS N N 15 122.725 0.058 . 1 . . . . . 45 LYS N A 27731 1
128 . 1 . 1 46 46 MET H H 1 8.516 0.006 . 1 . . . . . 46 MET H A 27731 1
129 . 1 . 1 46 46 MET CA C 13 53.733 0.031 . 1 . . . . . 46 MET CA A 27731 1
130 . 1 . 1 46 46 MET N N 15 124.157 0.058 . 1 . . . . . 46 MET N A 27731 1
131 . 1 . 1 47 47 ILE H H 1 8.936 0.006 . 1 . . . . . 47 ILE H A 27731 1
132 . 1 . 1 47 47 ILE CA C 13 59.288 0.031 . 1 . . . . . 47 ILE CA A 27731 1
133 . 1 . 1 47 47 ILE N N 15 118.661 0.058 . 1 . . . . . 47 ILE N A 27731 1
134 . 1 . 1 48 48 VAL H H 1 8.126 0.006 . 1 . . . . . 48 VAL H A 27731 1
135 . 1 . 1 48 48 VAL CA C 13 61.325 0.031 . 1 . . . . . 48 VAL CA A 27731 1
136 . 1 . 1 48 48 VAL N N 15 121.041 0.058 . 1 . . . . . 48 VAL N A 27731 1
137 . 1 . 1 49 49 GLY H H 1 7.657 0.006 . 1 . . . . . 49 GLY H A 27731 1
138 . 1 . 1 49 49 GLY CA C 13 43.586 0.031 . 1 . . . . . 49 GLY CA A 27731 1
139 . 1 . 1 49 49 GLY N N 15 108.97 0.058 . 1 . . . . . 49 GLY N A 27731 1
140 . 1 . 1 50 50 ILE H H 1 8.788 0.006 . 1 . . . . . 50 ILE H A 27731 1
141 . 1 . 1 50 50 ILE CA C 13 63.255 0.031 . 1 . . . . . 50 ILE CA A 27731 1
142 . 1 . 1 50 50 ILE N N 15 121.419 0.058 . 1 . . . . . 50 ILE N A 27731 1
143 . 1 . 1 51 51 GLY H H 1 8.064 0.006 . 1 . . . . . 51 GLY H A 27731 1
144 . 1 . 1 51 51 GLY N N 15 104.744 0.058 . 1 . . . . . 51 GLY N A 27731 1
145 . 1 . 1 52 52 GLY H H 1 7.101 0.006 . 1 . . . . . 52 GLY H A 27731 1
146 . 1 . 1 52 52 GLY CA C 13 43.976 0.031 . 1 . . . . . 52 GLY CA A 27731 1
147 . 1 . 1 52 52 GLY N N 15 106.876 0.058 . 1 . . . . . 52 GLY N A 27731 1
148 . 1 . 1 53 53 PHE H H 1 8.202 0.006 . 1 . . . . . 53 PHE H A 27731 1
149 . 1 . 1 53 53 PHE CA C 13 57.38 0.031 . 1 . . . . . 53 PHE CA A 27731 1
150 . 1 . 1 53 53 PHE N N 15 118.974 0.058 . 1 . . . . . 53 PHE N A 27731 1
151 . 1 . 1 54 54 ALA H H 1 9.24 0.006 . 1 . . . . . 54 ALA H A 27731 1
152 . 1 . 1 54 54 ALA CA C 13 51.184 0.031 . 1 . . . . . 54 ALA CA A 27731 1
153 . 1 . 1 54 54 ALA N N 15 122.411 0.058 . 1 . . . . . 54 ALA N A 27731 1
154 . 1 . 1 55 55 LYS H H 1 8.548 0.006 . 1 . . . . . 55 LYS H A 27731 1
155 . 1 . 1 55 55 LYS CA C 13 56.329 0.031 . 1 . . . . . 55 LYS CA A 27731 1
156 . 1 . 1 55 55 LYS N N 15 123.689 0.058 . 1 . . . . . 55 LYS N A 27731 1
157 . 1 . 1 56 56 VAL H H 1 8.947 0.006 . 1 . . . . . 56 VAL H A 27731 1
158 . 1 . 1 56 56 VAL CA C 13 58.343 0.031 . 1 . . . . . 56 VAL CA A 27731 1
159 . 1 . 1 56 56 VAL N N 15 116.902 0.058 . 1 . . . . . 56 VAL N A 27731 1
160 . 1 . 1 57 57 ARG H H 1 8.867 0.006 . 1 . . . . . 57 ARG H A 27731 1
161 . 1 . 1 57 57 ARG CA C 13 55.712 0.031 . 1 . . . . . 57 ARG CA A 27731 1
162 . 1 . 1 57 57 ARG N N 15 119.088 0.058 . 1 . . . . . 57 ARG N A 27731 1
163 . 1 . 1 58 58 GLN H H 1 9.695 0.006 . 1 . . . . . 58 GLN H A 27731 1
164 . 1 . 1 58 58 GLN CA C 13 55.975 0.031 . 1 . . . . . 58 GLN CA A 27731 1
165 . 1 . 1 58 58 GLN N N 15 123.73 0.058 . 1 . . . . . 58 GLN N A 27731 1
166 . 1 . 1 59 59 TYR H H 1 9.211 0.006 . 1 . . . . . 59 TYR H A 27731 1
167 . 1 . 1 59 59 TYR CA C 13 57.349 0.031 . 1 . . . . . 59 TYR CA A 27731 1
168 . 1 . 1 59 59 TYR N N 15 129.192 0.058 . 1 . . . . . 59 TYR N A 27731 1
169 . 1 . 1 60 60 ASP H H 1 8.904 0.006 . 1 . . . . . 60 ASP H A 27731 1
170 . 1 . 1 60 60 ASP CA C 13 53.799 0.031 . 1 . . . . . 60 ASP CA A 27731 1
171 . 1 . 1 60 60 ASP N N 15 121.081 0.058 . 1 . . . . . 60 ASP N A 27731 1
172 . 1 . 1 61 61 GLN H H 1 8.957 0.006 . 1 . . . . . 61 GLN H A 27731 1
173 . 1 . 1 61 61 GLN CA C 13 56.266 0.031 . 1 . . . . . 61 GLN CA A 27731 1
174 . 1 . 1 61 61 GLN N N 15 114.158 0.058 . 1 . . . . . 61 GLN N A 27731 1
175 . 1 . 1 62 62 ILE H H 1 8.715 0.006 . 1 . . . . . 62 ILE H A 27731 1
176 . 1 . 1 62 62 ILE CA C 13 55.075 0.031 . 1 . . . . . 62 ILE CA A 27731 1
177 . 1 . 1 62 62 ILE N N 15 122.451 0.058 . 1 . . . . . 62 ILE N A 27731 1
178 . 1 . 1 63 63 PRO CA C 13 61.878 0.031 . 6 . . . . . 63 PRO CA . 27731 1
179 . 1 . 1 64 64 ILE H H 1 8.829 0.006 . 6 . . . . . 64 ILE H . 27731 1
180 . 1 . 1 64 64 ILE CA C 13 59.544 0.031 . 6 . . . . . 64 ILE CA . 27731 1
181 . 1 . 1 64 64 ILE N N 15 123.274 0.058 . 6 . . . . . 64 ILE N . 27731 1
182 . 1 . 1 65 65 GLU H H 1 8.297 0.006 . 6 . . . . . 65 GLU H . 27731 1
183 . 1 . 1 65 65 GLU CA C 13 54.173 0.031 . 6 . . . . . 65 GLU CA . 27731 1
184 . 1 . 1 65 65 GLU N N 15 125.499 0.058 . 6 . . . . . 65 GLU N . 27731 1
185 . 1 . 1 66 66 ILE H H 1 9.171 0.006 . 6 . . . . . 66 ILE H . 27731 1
186 . 1 . 1 66 66 ILE CA C 13 60.329 0.031 . 6 . . . . . 66 ILE CA . 27731 1
187 . 1 . 1 66 66 ILE N N 15 125.037 0.058 . 6 . . . . . 66 ILE N . 27731 1
188 . 1 . 1 67 67 ALA H H 1 9.036 0.006 . 6 . . . . . 67 ALA H . 27731 1
189 . 1 . 1 67 67 ALA CA C 13 53.248 0.031 . 6 . . . . . 67 ALA CA . 27731 1
190 . 1 . 1 67 67 ALA N N 15 131.135 0.058 . 6 . . . . . 67 ALA N . 27731 1
191 . 1 . 1 68 68 GLY H H 1 8.669 0.006 . 6 . . . . . 68 GLY H . 27731 1
192 . 1 . 1 68 68 GLY CA C 13 45.404 0.031 . 6 . . . . . 68 GLY CA . 27731 1
193 . 1 . 1 68 68 GLY N N 15 103.01 0.058 . 6 . . . . . 68 GLY N . 27731 1
194 . 1 . 1 69 69 HIS H H 1 8.298 0.006 . 6 . . . . . 69 HIS H . 27731 1
195 . 1 . 1 69 69 HIS CA C 13 54.447 0.031 . 6 . . . . . 69 HIS CA . 27731 1
196 . 1 . 1 69 69 HIS N N 15 119.359 0.058 . 6 . . . . . 69 HIS N . 27731 1
197 . 1 . 1 70 70 LYS H H 1 9.00 0.006 . 6 . . . . . 70 LYS H . 27731 1
198 . 1 . 1 70 70 LYS CA C 13 57.803 0.031 . 6 . . . . . 70 LYS CA . 27731 1
199 . 1 . 1 70 70 LYS N N 15 125.467 0.058 . 6 . . . . . 70 LYS N . 27731 1
200 . 1 . 1 71 71 ALA H H 1 8.809 0.006 . 6 . . . . . 71 ALA H . 27731 1
201 . 1 . 1 71 71 ALA CA C 13 50.872 0.031 . 6 . . . . . 71 ALA CA . 27731 1
202 . 1 . 1 71 71 ALA N N 15 126.57 0.058 . 6 . . . . . 71 ALA N . 27731 1
203 . 1 . 1 72 72 ILE H H 1 8.518 0.006 . 6 . . . . . 72 ILE H . 27731 1
204 . 1 . 1 72 72 ILE CA C 13 60.045 0.031 . 6 . . . . . 72 ILE CA . 27731 1
205 . 1 . 1 72 72 ILE N N 15 119.314 0.058 . 6 . . . . . 72 ILE N . 27731 1
206 . 1 . 1 73 73 GLY H H 1 8.459 0.006 . 6 . . . . . 73 GLY H . 27731 1
207 . 1 . 1 73 73 GLY CA C 13 46.036 0.031 . 6 . . . . . 73 GLY CA . 27731 1
208 . 1 . 1 73 73 GLY N N 15 112.443 0.058 . 6 . . . . . 73 GLY N . 27731 1
209 . 1 . 1 74 74 THR H H 1 8.741 0.006 . 6 . . . . . 74 THR H . 27731 1
210 . 1 . 1 74 74 THR CA C 13 63.527 0.031 . 6 . . . . . 74 THR CA . 27731 1
211 . 1 . 1 74 74 THR N N 15 118.68 0.058 . 6 . . . . . 74 THR N . 27731 1
212 . 1 . 1 75 75 VAL H H 1 9.265 0.006 . 6 . . . . . 75 VAL H . 27731 1
213 . 1 . 1 75 75 VAL CA C 13 61.377 0.031 . 6 . . . . . 75 VAL CA . 27731 1
214 . 1 . 1 75 75 VAL N N 15 126.965 0.058 . 6 . . . . . 75 VAL N . 27731 1
215 . 1 . 1 76 76 LEU H H 1 8.205 0.006 . 6 . . . . . 76 LEU H . 27731 1
216 . 1 . 1 76 76 LEU CA C 13 52.435 0.031 . 6 . . . . . 76 LEU CA . 27731 1
217 . 1 . 1 76 76 LEU N N 15 125.138 0.058 . 6 . . . . . 76 LEU N . 27731 1
218 . 1 . 1 77 77 VAL H H 1 9.31 0.006 . 6 . . . . . 77 VAL H . 27731 1
219 . 1 . 1 77 77 VAL CA C 13 59.879 0.031 . 6 . . . . . 77 VAL CA . 27731 1
220 . 1 . 1 77 77 VAL N N 15 121.624 0.058 . 6 . . . . . 77 VAL N . 27731 1
221 . 1 . 1 78 78 GLY H H 1 8.81 0.006 . 6 . . . . . 78 GLY H . 27731 1
222 . 1 . 1 78 78 GLY CA C 13 45.508 0.031 . 6 . . . . . 78 GLY CA . 27731 1
223 . 1 . 1 78 78 GLY N N 15 113.866 0.058 . 6 . . . . . 78 GLY N . 27731 1
224 . 1 . 1 79 79 PRO CA C 13 62.899 0.031 . 6 . . . . . 79 PRO CA . 27731 1
225 . 1 . 1 80 80 THR H H 1 8.015 0.006 . 6 . . . . . 80 THR H . 27731 1
226 . 1 . 1 80 80 THR CA C 13 56.745 0.031 . 6 . . . . . 80 THR CA . 27731 1
227 . 1 . 1 80 80 THR N N 15 118.678 0.058 . 6 . . . . . 80 THR N . 27731 1
228 . 1 . 1 81 81 PRO CA C 13 63.133 0.031 . 6 . . . . . 81 PRO CA . 27731 1
229 . 1 . 1 82 82 ALA H H 1 7.355 0.006 . 1 . . . . . 82 ALA H A 27731 1
230 . 1 . 1 82 82 ALA CA C 13 51.129 0.031 . 1 . . . . . 82 ALA CA A 27731 1
231 . 1 . 1 82 82 ALA N N 15 119.599 0.058 . 1 . . . . . 82 ALA N A 27731 1
232 . 1 . 1 83 83 ASN H H 1 8.787 0.006 . 1 . . . . . 83 ASN H A 27731 1
233 . 1 . 1 83 83 ASN CA C 13 53.6 0.031 . 1 . . . . . 83 ASN CA A 27731 1
234 . 1 . 1 83 83 ASN N N 15 121.216 0.058 . 1 . . . . . 83 ASN N A 27731 1
235 . 1 . 1 84 84 ILE H H 1 9.513 0.006 . 1 . . . . . 84 ILE H A 27731 1
236 . 1 . 1 84 84 ILE CA C 13 59.547 0.031 . 1 . . . . . 84 ILE CA A 27731 1
237 . 1 . 1 84 84 ILE N N 15 120.742 0.058 . 1 . . . . . 84 ILE N A 27731 1
238 . 1 . 1 85 85 ILE H H 1 8.773 0.006 . 1 . . . . . 85 ILE H A 27731 1
239 . 1 . 1 85 85 ILE CA C 13 57.8 0.031 . 1 . . . . . 85 ILE CA A 27731 1
240 . 1 . 1 85 85 ILE N N 15 122.001 0.058 . 1 . . . . . 85 ILE N A 27731 1
241 . 1 . 1 86 86 GLY H H 1 8.143 0.006 . 1 . . . . . 86 GLY H A 27731 1
242 . 1 . 1 86 86 GLY CA C 13 43.414 0.031 . 1 . . . . . 86 GLY CA A 27731 1
243 . 1 . 1 86 86 GLY N N 15 113.866 0.058 . 1 . . . . . 86 GLY N A 27731 1
244 . 1 . 1 87 87 ARG H H 1 9.366 0.006 . 1 . . . . . 87 ARG H A 27731 1
245 . 1 . 1 87 87 ARG CA C 13 61.299 0.031 . 1 . . . . . 87 ARG CA A 27731 1
246 . 1 . 1 87 87 ARG N N 15 116.691 0.058 . 1 . . . . . 87 ARG N A 27731 1
247 . 1 . 1 88 88 ASN H H 1 7.98 0.006 . 1 . . . . . 88 ASN H A 27731 1
248 . 1 . 1 88 88 ASN CA C 13 56.97 0.031 . 1 . . . . . 88 ASN CA A 27731 1
249 . 1 . 1 88 88 ASN N N 15 115.736 0.058 . 1 . . . . . 88 ASN N A 27731 1
250 . 1 . 1 89 89 LEU H H 1 6.919 0.006 . 1 . . . . . 89 LEU H A 27731 1
251 . 1 . 1 89 89 LEU CA C 13 55.238 0.031 . 1 . . . . . 89 LEU CA A 27731 1
252 . 1 . 1 89 89 LEU N N 15 116.587 0.058 . 1 . . . . . 89 LEU N A 27731 1
253 . 1 . 1 90 90 LEU H H 1 8.27 0.006 . 1 . . . . . 90 LEU H . 27731 1
254 . 1 . 1 90 90 LEU CA C 13 57.84 0.031 . 1 . . . . . 90 LEU CA . 27731 1
255 . 1 . 1 90 90 LEU N N 15 120.218 0.058 . 1 . . . . . 90 LEU N . 27731 1
256 . 1 . 1 91 91 THR H H 1 7.842 0.006 . 1 . . . . . 91 THR H . 27731 1
257 . 1 . 1 91 91 THR CA C 13 63.524 0.031 . 1 . . . . . 91 THR CA . 27731 1
258 . 1 . 1 91 91 THR N N 15 106.194 0.058 . 1 . . . . . 91 THR N . 27731 1
259 . 1 . 1 92 92 GLN H H 1 6.692 0.006 . 1 . . . . . 92 GLN H . 27731 1
260 . 1 . 1 92 92 GLN CA C 13 57.818 0.031 . 1 . . . . . 92 GLN CA . 27731 1
261 . 1 . 1 92 92 GLN N N 15 120.072 0.058 . 1 . . . . . 92 GLN N . 27731 1
262 . 1 . 1 93 93 ILE H H 1 6.928 0.006 . 1 . . . . . 93 ILE H . 27731 1
263 . 1 . 1 93 93 ILE CA C 13 60.418 0.031 . 1 . . . . . 93 ILE CA . 27731 1
264 . 1 . 1 93 93 ILE N N 15 108.678 0.058 . 1 . . . . . 93 ILE N . 27731 1
265 . 1 . 1 94 94 GLY H H 1 7.217 0.006 . 1 . . . . . 94 GLY H . 27731 1
266 . 1 . 1 94 94 GLY CA C 13 45.95 0.031 . 1 . . . . . 94 GLY CA . 27731 1
267 . 1 . 1 94 94 GLY N N 15 108.167 0.058 . 1 . . . . . 94 GLY N . 27731 1
268 . 1 . 1 95 95 ALA H H 1 7.457 0.006 . 1 . . . . . 95 ALA H . 27731 1
269 . 1 . 1 95 95 ALA CA C 13 51.417 0.031 . 1 . . . . . 95 ALA CA . 27731 1
270 . 1 . 1 95 95 ALA N N 15 120.38 0.058 . 1 . . . . . 95 ALA N . 27731 1
271 . 1 . 1 96 96 THR H H 1 9.024 0.006 . 1 . . . . . 96 THR H . 27731 1
272 . 1 . 1 96 96 THR CA C 13 59.423 0.031 . 1 . . . . . 96 THR CA . 27731 1
273 . 1 . 1 96 96 THR N N 15 109.009 0.058 . 1 . . . . . 96 THR N . 27731 1
274 . 1 . 1 97 97 LEU H H 1 8.556 0.006 . 1 . . . . . 97 LEU H . 27731 1
275 . 1 . 1 97 97 LEU CA C 13 53.296 0.031 . 1 . . . . . 97 LEU CA . 27731 1
276 . 1 . 1 97 97 LEU N N 15 121.148 0.058 . 1 . . . . . 97 LEU N . 27731 1
277 . 1 . 1 98 98 ASN H H 1 8.917 0.006 . 1 . . . . . 98 ASN H . 27731 1
278 . 1 . 1 98 98 ASN CA C 13 52.8 0.031 . 1 . . . . . 98 ASN CA . 27731 1
279 . 1 . 1 98 98 ASN N N 15 121.503 0.058 . 1 . . . . . 98 ASN N . 27731 1
280 . 1 . 1 99 99 PHE H H 1 8.027 0.006 . 1 . . . . . 99 PHE H . 27731 1
281 . 1 . 1 99 99 PHE CA C 13 58.947 0.031 . 1 . . . . . 99 PHE CA . 27731 1
282 . 1 . 1 99 99 PHE N N 15 122.22 0.058 . 1 . . . . . 99 PHE N . 27731 1
283 . 2 . 1 2 2 GLN CA C 13 55.461 0.031 . 6 . . . . . 2 GLN CA . 27731 1
284 . 2 . 1 3 3 ILE H H 1 9.472 0.006 . 6 . . . . . 3 ILE H . 27731 1
285 . 2 . 1 3 3 ILE CA C 13 60.292 0.031 . 6 . . . . . 3 ILE CA . 27731 1
286 . 2 . 1 3 3 ILE N N 15 127.775 0.058 . 6 . . . . . 3 ILE N . 27731 1
287 . 2 . 1 4 4 THR H H 1 8.353 0.006 . 6 . . . . . 4 THR H . 27731 1
288 . 2 . 1 4 4 THR CA C 13 61.031 0.031 . 6 . . . . . 4 THR CA . 27731 1
289 . 2 . 1 4 4 THR N N 15 115.44 0.058 . 6 . . . . . 4 THR N . 27731 1
290 . 2 . 1 5 5 LEU H H 1 9.168 0.006 . 6 . . . . . 5 LEU H . 27731 1
291 . 2 . 1 5 5 LEU CA C 13 54.088 0.031 . 6 . . . . . 5 LEU CA . 27731 1
292 . 2 . 1 5 5 LEU N N 15 116.903 0.058 . 6 . . . . . 5 LEU N . 27731 1
293 . 2 . 1 7 7 LYS CA C 13 53.498 0.031 . 6 . . . . . 7 LYS CA . 27731 1
294 . 2 . 1 8 8 ARG H H 1 8.812 0.006 . 6 . . . . . 8 ARG H . 27731 1
295 . 2 . 1 8 8 ARG CA C 13 56.187 0.031 . 6 . . . . . 8 ARG CA . 27731 1
296 . 2 . 1 8 8 ARG N N 15 121.038 0.058 . 6 . . . . . 8 ARG N . 27731 1
297 . 2 . 1 9 9 PRO CA C 13 61.635 0.031 . 6 . . . . . 9 PRO CA . 27731 1
298 . 2 . 1 10 10 ILE H H 1 7.607 0.006 . 6 . . . . . 10 ILE H . 27731 1
299 . 2 . 1 10 10 ILE CA C 13 59.428 0.031 . 6 . . . . . 10 ILE CA . 27731 1
300 . 2 . 1 10 10 ILE N N 15 126.653 0.058 . 6 . . . . . 10 ILE N . 27731 1
301 . 2 . 1 11 11 VAL H H 1 9.119 0.006 . 6 . . . . . 11 VAL H . 27731 1
302 . 2 . 1 11 11 VAL CA C 13 58.485 0.031 . 6 . . . . . 11 VAL CA . 27731 1
303 . 2 . 1 11 11 VAL N N 15 120.131 0.058 . 6 . . . . . 11 VAL N . 27731 1
304 . 2 . 1 12 12 THR H H 1 8.485 0.006 . 6 . . . . . 12 THR H . 27731 1
305 . 2 . 1 12 12 THR CA C 13 62.726 0.031 . 6 . . . . . 12 THR CA . 27731 1
306 . 2 . 1 12 12 THR N N 15 116.292 0.058 . 6 . . . . . 12 THR N . 27731 1
307 . 2 . 1 13 13 ILE H H 1 9.276 0.006 . 6 . . . . . 13 ILE H . 27731 1
308 . 2 . 1 13 13 ILE CA C 13 58.014 0.031 . 6 . . . . . 13 ILE CA . 27731 1
309 . 2 . 1 13 13 ILE N N 15 120.692 0.058 . 6 . . . . . 13 ILE N . 27731 1
310 . 2 . 1 15 15 ILE H H 1 8.915 0.006 . 6 . . . . . 15 ILE H . 27731 1
311 . 2 . 1 15 15 ILE N N 15 124.779 0.058 . 6 . . . . . 15 ILE N . 27731 1
312 . 2 . 1 16 16 GLY H H 1 9.731 0.006 . 6 . . . . . 16 GLY H . 27731 1
313 . 2 . 1 16 16 GLY N N 15 118.25 0.058 . 6 . . . . . 16 GLY N . 27731 1
314 . 2 . 1 17 17 GLY CA C 13 45.088 0.031 . 6 . . . . . 17 GLY CA . 27731 1
315 . 2 . 1 18 18 GLN H H 1 8.045 0.006 . 6 . . . . . 18 GLN H . 27731 1
316 . 2 . 1 18 18 GLN CA C 13 54.341 0.031 . 6 . . . . . 18 GLN CA . 27731 1
317 . 2 . 1 18 18 GLN N N 15 120.07 0.058 . 6 . . . . . 18 GLN N . 27731 1
318 . 2 . 1 21 21 GLU CA C 13 55.136 0.031 . 6 . . . . . 21 GLU CA . 27731 1
319 . 2 . 1 22 22 ALA H H 1 9.268 0.006 . 1 . . . . . 22 ALA H B 27731 1
320 . 2 . 1 22 22 ALA CA C 13 50.897 0.031 . 1 . . . . . 22 ALA CA B 27731 1
321 . 2 . 1 22 22 ALA N N 15 123.981 0.058 . 1 . . . . . 22 ALA N B 27731 1
322 . 2 . 1 23 23 LEU H H 1 8.629 0.006 . 1 . . . . . 23 LEU H B 27731 1
323 . 2 . 1 23 23 LEU CA C 13 53.582 0.031 . 1 . . . . . 23 LEU CA B 27731 1
324 . 2 . 1 23 23 LEU N N 15 119.697 0.058 . 1 . . . . . 23 LEU N B 27731 1
325 . 2 . 1 24 24 LEU H H 1 8.299 0.006 . 1 . . . . . 24 LEU H B 27731 1
326 . 2 . 1 24 24 LEU CA C 13 54.736 0.031 . 1 . . . . . 24 LEU CA B 27731 1
327 . 2 . 1 24 24 LEU N N 15 121.708 0.058 . 1 . . . . . 24 LEU N B 27731 1
328 . 2 . 1 25 25 ASP H H 1 8.798 0.006 . 1 . . . . . 25 ASP H B 27731 1
329 . 2 . 1 25 25 ASP CA C 13 53.098 0.031 . 1 . . . . . 25 ASP CA B 27731 1
330 . 2 . 1 25 25 ASP N N 15 127.013 0.058 . 1 . . . . . 25 ASP N B 27731 1
331 . 2 . 1 26 26 THR H H 1 8.393 0.006 . 1 . . . . . 26 THR H B 27731 1
332 . 2 . 1 26 26 THR CA C 13 64.662 0.031 . 1 . . . . . 26 THR CA B 27731 1
333 . 2 . 1 26 26 THR N N 15 112.599 0.058 . 1 . . . . . 26 THR N B 27731 1
334 . 2 . 1 27 27 GLY H H 1 9.369 0.006 . 1 . . . . . 27 GLY H B 27731 1
335 . 2 . 1 27 27 GLY CA C 13 44.971 0.031 . 1 . . . . . 27 GLY CA B 27731 1
336 . 2 . 1 27 27 GLY N N 15 109.149 0.058 . 1 . . . . . 27 GLY N B 27731 1
337 . 2 . 1 28 28 ALA H H 1 6.884 0.006 . 1 . . . . . 28 ALA H B 27731 1
338 . 2 . 1 28 28 ALA CA C 13 49.221 0.031 . 1 . . . . . 28 ALA CA B 27731 1
339 . 2 . 1 28 28 ALA N N 15 124.453 0.058 . 1 . . . . . 28 ALA N B 27731 1
340 . 2 . 1 29 29 ASP H H 1 8.369 0.006 . 1 . . . . . 29 ASP H B 27731 1
341 . 2 . 1 29 29 ASP CA C 13 58.264 0.031 . 1 . . . . . 29 ASP CA B 27731 1
342 . 2 . 1 29 29 ASP N N 15 124.166 0.058 . 1 . . . . . 29 ASP N B 27731 1
343 . 2 . 1 30 30 ASP H H 1 7.196 0.006 . 1 . . . . . 30 ASP H B 27731 1
344 . 2 . 1 30 30 ASP CA C 13 52.354 0.031 . 1 . . . . . 30 ASP CA B 27731 1
345 . 2 . 1 30 30 ASP N N 15 113.309 0.058 . 1 . . . . . 30 ASP N B 27731 1
346 . 2 . 1 31 31 THR H H 1 7.659 0.006 . 1 . . . . . 31 THR H B 27731 1
347 . 2 . 1 31 31 THR CA C 13 63.816 0.031 . 1 . . . . . 31 THR CA B 27731 1
348 . 2 . 1 31 31 THR N N 15 119.233 0.058 . 1 . . . . . 31 THR N B 27731 1
349 . 2 . 1 32 32 VAL H H 1 9.14 0.006 . 1 . . . . . 32 VAL H B 27731 1
350 . 2 . 1 32 32 VAL CA C 13 59.856 0.031 . 1 . . . . . 32 VAL CA B 27731 1
351 . 2 . 1 32 32 VAL N N 15 128.11 0.058 . 1 . . . . . 32 VAL N B 27731 1
352 . 2 . 1 33 33 ILE H H 1 9.222 0.006 . 1 . . . . . 33 ILE H B 27731 1
353 . 2 . 1 33 33 ILE CA C 13 56.829 0.031 . 1 . . . . . 33 ILE CA B 27731 1
354 . 2 . 1 33 33 ILE N N 15 125.896 0.058 . 1 . . . . . 33 ILE N B 27731 1
355 . 2 . 1 34 34 GLU H H 1 7.965 0.006 . 1 . . . . . 34 GLU H B 27731 1
356 . 2 . 1 34 34 GLU CA C 13 55.276 0.031 . 1 . . . . . 34 GLU CA B 27731 1
357 . 2 . 1 34 34 GLU N N 15 119.913 0.058 . 1 . . . . . 34 GLU N B 27731 1
358 . 2 . 1 35 35 GLU H H 1 7.036 0.006 . 1 . . . . . 35 GLU H B 27731 1
359 . 2 . 1 35 35 GLU CA C 13 58.3 0.031 . 1 . . . . . 35 GLU CA B 27731 1
360 . 2 . 1 35 35 GLU N N 15 115.362 0.058 . 1 . . . . . 35 GLU N B 27731 1
361 . 2 . 1 36 36 MET H H 1 6.964 0.006 . 1 . . . . . 36 MET H B 27731 1
362 . 2 . 1 36 36 MET CA C 13 54.706 0.031 . 1 . . . . . 36 MET CA B 27731 1
363 . 2 . 1 36 36 MET N N 15 120.732 0.058 . 1 . . . . . 36 MET N B 27731 1
364 . 2 . 1 37 37 ASN H H 1 8.641 0.006 . 6 . . . . . 37 ASN H . 27731 1
365 . 2 . 1 37 37 ASN CA C 13 52.637 0.031 . 6 . . . . . 37 ASN CA . 27731 1
366 . 2 . 1 37 37 ASN N N 15 118.768 0.058 . 6 . . . . . 37 ASN N . 27731 1
367 . 2 . 1 38 38 LEU H H 1 7.412 0.006 . 6 . . . . . 38 LEU H . 27731 1
368 . 2 . 1 38 38 LEU CA C 13 51.773 0.031 . 6 . . . . . 38 LEU CA . 27731 1
369 . 2 . 1 38 38 LEU N N 15 125.006 0.058 . 6 . . . . . 38 LEU N . 27731 1
370 . 2 . 1 40 40 GLY H H 1 8.386 0.006 . 6 . . . . . 40 GLY H . 27731 1
371 . 2 . 1 40 40 GLY CA C 13 44.281 0.031 . 6 . . . . . 40 GLY CA . 27731 1
372 . 2 . 1 40 40 GLY N N 15 106.075 0.058 . 6 . . . . . 40 GLY N . 27731 1
373 . 2 . 1 41 41 LYS H H 1 8.412 0.006 . 6 . . . . . 41 LYS H . 27731 1
374 . 2 . 1 41 41 LYS CA C 13 56.159 0.031 . 6 . . . . . 41 LYS CA . 27731 1
375 . 2 . 1 41 41 LYS N N 15 119.34 0.058 . 6 . . . . . 41 LYS N . 27731 1
376 . 2 . 1 42 42 TRP H H 1 7.38 0.006 . 6 . . . . . 42 TRP H . 27731 1
377 . 2 . 1 42 42 TRP CA C 13 53.702 0.031 . 6 . . . . . 42 TRP CA . 27731 1
378 . 2 . 1 42 42 TRP N N 15 117.768 0.058 . 6 . . . . . 42 TRP N . 27731 1
379 . 2 . 1 43 43 LYS H H 1 8.282 0.006 . 6 . . . . . 43 LYS H . 27731 1
380 . 2 . 1 43 43 LYS CA C 13 52.838 0.031 . 6 . . . . . 43 LYS CA . 27731 1
381 . 2 . 1 43 43 LYS N N 15 117.895 0.058 . 6 . . . . . 43 LYS N . 27731 1
382 . 2 . 1 44 44 PRO CA C 13 63.266 0.031 . 6 . . . . . 44 PRO CA . 27731 1
383 . 2 . 1 45 45 LYS H H 1 8.633 0.006 . 1 . . . . . 45 LYS H B 27731 1
384 . 2 . 1 45 45 LYS CA C 13 55.246 0.031 . 1 . . . . . 45 LYS CA B 27731 1
385 . 2 . 1 45 45 LYS N N 15 122.33 0.058 . 1 . . . . . 45 LYS N B 27731 1
386 . 2 . 1 46 46 MET H H 1 8.437 0.006 . 1 . . . . . 46 MET H B 27731 1
387 . 2 . 1 46 46 MET CA C 13 54.135 0.031 . 1 . . . . . 46 MET CA B 27731 1
388 . 2 . 1 46 46 MET N N 15 122.39 0.058 . 1 . . . . . 46 MET N B 27731 1
389 . 2 . 1 47 47 ILE H H 1 8.819 0.006 . 1 . . . . . 47 ILE H B 27731 1
390 . 2 . 1 47 47 ILE CA C 13 59.673 0.031 . 1 . . . . . 47 ILE CA B 27731 1
391 . 2 . 1 47 47 ILE N N 15 118.504 0.058 . 1 . . . . . 47 ILE N B 27731 1
392 . 2 . 1 48 48 VAL H H 1 8.411 0.006 . 1 . . . . . 48 VAL H B 27731 1
393 . 2 . 1 48 48 VAL CA C 13 61.291 0.031 . 1 . . . . . 48 VAL CA B 27731 1
394 . 2 . 1 48 48 VAL N N 15 120.919 0.058 . 1 . . . . . 48 VAL N B 27731 1
395 . 2 . 1 49 49 GLY H H 1 7.881 0.006 . 1 . . . . . 49 GLY H B 27731 1
396 . 2 . 1 49 49 GLY CA C 13 45.135 0.031 . 1 . . . . . 49 GLY CA B 27731 1
397 . 2 . 1 49 49 GLY N N 15 111.629 0.058 . 1 . . . . . 49 GLY N B 27731 1
398 . 2 . 1 52 52 GLY H H 1 7.26 0.006 . 1 . . . . . 52 GLY H B 27731 1
399 . 2 . 1 52 52 GLY CA C 13 44.367 0.031 . 1 . . . . . 52 GLY CA B 27731 1
400 . 2 . 1 52 52 GLY N N 15 105.229 0.058 . 1 . . . . . 52 GLY N B 27731 1
401 . 2 . 1 53 53 PHE H H 1 8.031 0.006 . 1 . . . . . 53 PHE H B 27731 1
402 . 2 . 1 53 53 PHE CA C 13 56.008 0.031 . 1 . . . . . 53 PHE CA B 27731 1
403 . 2 . 1 53 53 PHE N N 15 119.251 0.058 . 1 . . . . . 53 PHE N B 27731 1
404 . 2 . 1 54 54 ALA H H 1 9.002 0.006 . 1 . . . . . 54 ALA H B 27731 1
405 . 2 . 1 54 54 ALA CA C 13 51.108 0.031 . 1 . . . . . 54 ALA CA B 27731 1
406 . 2 . 1 54 54 ALA N N 15 121.701 0.058 . 1 . . . . . 54 ALA N B 27731 1
407 . 2 . 1 55 55 LYS H H 1 8.612 0.006 . 1 . . . . . 55 LYS H B 27731 1
408 . 2 . 1 55 55 LYS CA C 13 56.616 0.031 . 1 . . . . . 55 LYS CA B 27731 1
409 . 2 . 1 55 55 LYS N N 15 123.944 0.058 . 1 . . . . . 55 LYS N B 27731 1
410 . 2 . 1 56 56 VAL H H 1 8.755 0.006 . 1 . . . . . 56 VAL H B 27731 1
411 . 2 . 1 56 56 VAL CA C 13 58.344 0.031 . 1 . . . . . 56 VAL CA B 27731 1
412 . 2 . 1 56 56 VAL N N 15 116.443 0.058 . 1 . . . . . 56 VAL N B 27731 1
413 . 2 . 1 57 57 ARG H H 1 9.101 0.006 . 1 . . . . . 57 ARG H B 27731 1
414 . 2 . 1 57 57 ARG CA C 13 55.395 0.031 . 1 . . . . . 57 ARG CA B 27731 1
415 . 2 . 1 57 57 ARG N N 15 119.697 0.058 . 1 . . . . . 57 ARG N B 27731 1
416 . 2 . 1 58 58 GLN H H 1 9.77 0.006 . 1 . . . . . 58 GLN H B 27731 1
417 . 2 . 1 58 58 GLN CA C 13 56.217 0.031 . 1 . . . . . 58 GLN CA B 27731 1
418 . 2 . 1 58 58 GLN N N 15 123.649 0.058 . 1 . . . . . 58 GLN N B 27731 1
419 . 2 . 1 59 59 TYR H H 1 9.264 0.006 . 1 . . . . . 59 TYR H B 27731 1
420 . 2 . 1 59 59 TYR CA C 13 57.427 0.031 . 1 . . . . . 59 TYR CA B 27731 1
421 . 2 . 1 59 59 TYR N N 15 129.31 0.058 . 1 . . . . . 59 TYR N B 27731 1
422 . 2 . 1 60 60 ASP H H 1 8.98 0.006 . 1 . . . . . 60 ASP H B 27731 1
423 . 2 . 1 60 60 ASP CA C 13 53.732 0.031 . 1 . . . . . 60 ASP CA B 27731 1
424 . 2 . 1 60 60 ASP N N 15 120.499 0.058 . 1 . . . . . 60 ASP N B 27731 1
425 . 2 . 1 61 61 GLN H H 1 8.932 0.006 . 1 . . . . . 61 GLN H B 27731 1
426 . 2 . 1 61 61 GLN CA C 13 56.252 0.031 . 1 . . . . . 61 GLN CA B 27731 1
427 . 2 . 1 61 61 GLN N N 15 114.075 0.058 . 1 . . . . . 61 GLN N B 27731 1
428 . 2 . 1 62 62 ILE H H 1 8.769 0.006 . 1 . . . . . 62 ILE H B 27731 1
429 . 2 . 1 62 62 ILE CA C 13 55.188 0.031 . 1 . . . . . 62 ILE CA B 27731 1
430 . 2 . 1 62 62 ILE N N 15 122.309 0.058 . 1 . . . . . 62 ILE N B 27731 1
431 . 2 . 1 63 63 PRO CA C 13 61.901 0.031 . 6 . . . . . 63 PRO CA . 27731 1
432 . 2 . 1 64 64 ILE H H 1 8.857 0.006 . 6 . . . . . 64 ILE H . 27731 1
433 . 2 . 1 64 64 ILE CA C 13 59.256 0.031 . 6 . . . . . 64 ILE CA . 27731 1
434 . 2 . 1 64 64 ILE N N 15 123.699 0.058 . 6 . . . . . 64 ILE N . 27731 1
435 . 2 . 1 65 65 GLU H H 1 8.271 0.006 . 6 . . . . . 65 GLU H . 27731 1
436 . 2 . 1 65 65 GLU CA C 13 54.157 0.031 . 6 . . . . . 65 GLU CA . 27731 1
437 . 2 . 1 65 65 GLU N N 15 125.507 0.058 . 6 . . . . . 65 GLU N . 27731 1
438 . 2 . 1 66 66 ILE H H 1 9.197 0.006 . 6 . . . . . 66 ILE H . 27731 1
439 . 2 . 1 66 66 ILE CA C 13 60.355 0.031 . 6 . . . . . 66 ILE CA . 27731 1
440 . 2 . 1 66 66 ILE N N 15 125.149 0.058 . 6 . . . . . 66 ILE N . 27731 1
441 . 2 . 1 71 71 ALA CA C 13 50.88 0.031 . 6 . . . . . 71 ALA CA . 27731 1
442 . 2 . 1 72 72 ILE H H 1 8.449 0.006 . 6 . . . . . 72 ILE H . 27731 1
443 . 2 . 1 72 72 ILE CA C 13 60.011 0.031 . 6 . . . . . 72 ILE CA . 27731 1
444 . 2 . 1 72 72 ILE N N 15 119.49 0.058 . 6 . . . . . 72 ILE N . 27731 1
445 . 2 . 1 73 73 GLY H H 1 8.462 0.006 . 6 . . . . . 73 GLY H . 27731 1
446 . 2 . 1 73 73 GLY CA C 13 46.002 0.031 . 6 . . . . . 73 GLY CA . 27731 1
447 . 2 . 1 73 73 GLY N N 15 112.645 0.058 . 6 . . . . . 73 GLY N . 27731 1
448 . 2 . 1 74 74 THR H H 1 8.63 0.006 . 6 . . . . . 74 THR H . 27731 1
449 . 2 . 1 74 74 THR CA C 13 63.832 0.031 . 6 . . . . . 74 THR CA . 27731 1
450 . 2 . 1 74 74 THR N N 15 118.795 0.058 . 6 . . . . . 74 THR N . 27731 1
451 . 2 . 1 75 75 VAL H H 1 8.985 0.006 . 6 . . . . . 75 VAL H . 27731 1
452 . 2 . 1 75 75 VAL CA C 13 61.392 0.031 . 6 . . . . . 75 VAL CA . 27731 1
453 . 2 . 1 75 75 VAL N N 15 124.103 0.058 . 6 . . . . . 75 VAL N . 27731 1
454 . 2 . 1 76 76 LEU H H 1 8.417 0.006 . 6 . . . . . 76 LEU H . 27731 1
455 . 2 . 1 76 76 LEU CA C 13 52.3 0.031 . 6 . . . . . 76 LEU CA . 27731 1
456 . 2 . 1 76 76 LEU N N 15 125.159 0.058 . 6 . . . . . 76 LEU N . 27731 1
457 . 2 . 1 77 77 VAL H H 1 9.242 0.006 . 6 . . . . . 77 VAL H . 27731 1
458 . 2 . 1 77 77 VAL CA C 13 59.779 0.031 . 6 . . . . . 77 VAL CA . 27731 1
459 . 2 . 1 77 77 VAL N N 15 121.778 0.058 . 6 . . . . . 77 VAL N . 27731 1
460 . 2 . 1 78 78 GLY H H 1 8.993 0.006 . 6 . . . . . 78 GLY H . 27731 1
461 . 2 . 1 78 78 GLY CA C 13 45.524 0.031 . 6 . . . . . 78 GLY CA . 27731 1
462 . 2 . 1 78 78 GLY N N 15 115.593 0.058 . 6 . . . . . 78 GLY N . 27731 1
463 . 2 . 1 79 79 PRO CA C 13 62.975 0.031 . 6 . . . . . 79 PRO CA . 27731 1
464 . 2 . 1 80 80 THR H H 1 7.731 0.006 . 6 . . . . . 80 THR H . 27731 1
465 . 2 . 1 80 80 THR CA C 13 56.679 0.031 . 6 . . . . . 80 THR CA . 27731 1
466 . 2 . 1 80 80 THR N N 15 119.699 0.058 . 6 . . . . . 80 THR N . 27731 1
467 . 2 . 1 81 81 PRO CA C 13 63.587 0.031 . 6 . . . . . 81 PRO CA . 27731 1
468 . 2 . 1 82 82 ALA H H 1 7.467 0.006 . 1 . . . . . 82 ALA H B 27731 1
469 . 2 . 1 82 82 ALA CA C 13 51.136 0.031 . 1 . . . . . 82 ALA CA B 27731 1
470 . 2 . 1 82 82 ALA N N 15 119.648 0.058 . 1 . . . . . 82 ALA N B 27731 1
471 . 2 . 1 83 83 ASN H H 1 8.61 0.006 . 1 . . . . . 83 ASN H B 27731 1
472 . 2 . 1 83 83 ASN CA C 13 53.671 0.031 . 1 . . . . . 83 ASN CA B 27731 1
473 . 2 . 1 83 83 ASN N N 15 119.853 0.058 . 1 . . . . . 83 ASN N B 27731 1
474 . 2 . 1 84 84 ILE H H 1 9.725 0.006 . 1 . . . . . 84 ILE H B 27731 1
475 . 2 . 1 84 84 ILE CA C 13 61.278 0.031 . 1 . . . . . 84 ILE CA B 27731 1
476 . 2 . 1 84 84 ILE N N 15 127.222 0.058 . 1 . . . . . 84 ILE N B 27731 1
477 . 2 . 1 85 85 ILE H H 1 9.328 0.006 . 1 . . . . . 85 ILE H B 27731 1
478 . 2 . 1 85 85 ILE CA C 13 58.238 0.031 . 1 . . . . . 85 ILE CA B 27731 1
479 . 2 . 1 85 85 ILE N N 15 125.805 0.058 . 1 . . . . . 85 ILE N B 27731 1
480 . 2 . 1 86 86 GLY H H 1 8.10 0.006 . 1 . . . . . 86 GLY H B 27731 1
481 . 2 . 1 86 86 GLY CA C 13 43.477 0.031 . 1 . . . . . 86 GLY CA B 27731 1
482 . 2 . 1 86 86 GLY N N 15 112.679 0.058 . 1 . . . . . 86 GLY N B 27731 1
483 . 2 . 1 87 87 ARG H H 1 9.196 0.006 . 1 . . . . . 87 ARG H B 27731 1
484 . 2 . 1 87 87 ARG CA C 13 61.291 0.031 . 1 . . . . . 87 ARG CA B 27731 1
485 . 2 . 1 87 87 ARG N N 15 116.815 0.058 . 1 . . . . . 87 ARG N B 27731 1
486 . 2 . 1 88 88 ASN H H 1 7.914 0.006 . 1 . . . . . 88 ASN H B 27731 1
487 . 2 . 1 88 88 ASN CA C 13 56.735 0.031 . 1 . . . . . 88 ASN CA B 27731 1
488 . 2 . 1 88 88 ASN N N 15 115.121 0.058 . 1 . . . . . 88 ASN N B 27731 1
489 . 2 . 1 89 89 LEU H H 1 6.972 0.006 . 1 . . . . . 89 LEU H B 27731 1
490 . 2 . 1 89 89 LEU CA C 13 55.168 0.031 . 1 . . . . . 89 LEU CA B 27731 1
491 . 2 . 1 89 89 LEU N N 15 115.96 0.058 . 1 . . . . . 89 LEU N B 27731 1
492 . 2 . 1 90 90 LEU H H 1 8.349 0.006 . 6 . . . . . 90 LEU H . 27731 1
493 . 2 . 1 90 90 LEU CA C 13 57.901 0.031 . 6 . . . . . 90 LEU CA . 27731 1
494 . 2 . 1 90 90 LEU N N 15 120.155 0.058 . 6 . . . . . 90 LEU N . 27731 1
495 . 2 . 1 91 91 THR H H 1 7.787 0.006 . 6 . . . . . 91 THR H . 27731 1
496 . 2 . 1 91 91 THR CA C 13 63.518 0.031 . 6 . . . . . 91 THR CA . 27731 1
497 . 2 . 1 91 91 THR N N 15 105.999 0.058 . 6 . . . . . 91 THR N . 27731 1
498 . 2 . 1 92 92 GLN CA C 13 57.835 0.031 . 6 . . . . . 92 GLN CA . 27731 1
499 . 2 . 1 93 93 ILE H H 1 6.955 0.006 . 6 . . . . . 93 ILE H . 27731 1
500 . 2 . 1 93 93 ILE CA C 13 60.386 0.031 . 6 . . . . . 93 ILE CA . 27731 1
501 . 2 . 1 93 93 ILE N N 15 108.744 0.058 . 6 . . . . . 93 ILE N . 27731 1
502 . 2 . 1 94 94 GLY CA C 13 45.988 0.031 . 6 . . . . . 94 GLY CA . 27731 1
503 . 2 . 1 95 95 ALA H H 1 7.43 0.006 . 6 . . . . . 95 ALA H . 27731 1
504 . 2 . 1 95 95 ALA CA C 13 51.475 0.031 . 6 . . . . . 95 ALA CA . 27731 1
505 . 2 . 1 95 95 ALA N N 15 120.274 0.058 . 6 . . . . . 95 ALA N . 27731 1
506 . 2 . 1 96 96 THR CA C 13 59.387 0.031 . 6 . . . . . 96 THR CA . 27731 1
507 . 2 . 1 97 97 LEU H H 1 8.503 0.006 . 6 . . . . . 97 LEU H . 27731 1
508 . 2 . 1 97 97 LEU CA C 13 53.206 0.031 . 6 . . . . . 97 LEU CA . 27731 1
509 . 2 . 1 97 97 LEU N N 15 121.562 0.058 . 6 . . . . . 97 LEU N . 27731 1
510 . 2 . 1 98 98 ASN CA C 13 52.736 0.031 . 6 . . . . . 98 ASN CA . 27731 1
511 . 2 . 1 99 99 PHE H H 1 7.99 0.006 . 6 . . . . . 99 PHE H . 27731 1
512 . 2 . 1 99 99 PHE CA C 13 58.996 0.031 . 6 . . . . . 99 PHE CA . 27731 1
513 . 2 . 1 99 99 PHE N N 15 121.892 0.058 . 6 . . . . . 99 PHE N . 27731 1
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