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 27377
_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 0.002
_Assigned_chem_shift_list.Chem_shift_13C_err 0.014
_Assigned_chem_shift_list.Chem_shift_15N_err 0.017
_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 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' . . . 27377 1
2 '3D HNCA' . . . 27377 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 $TOPSPIN . . 27377 1
2 $NMRPipe . . 27377 1
3 $NMRDraw . . 27377 1
4 $Analysis . . 27377 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.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 62.03 0.014 . 6 . . . . . 1 Pro CA . 27377 1
2 . 1 1 2 2 GLN H H 1 8.533 0.002 . 6 . . . . . 2 Gln H . 27377 1
3 . 1 1 2 2 GLN CA C 13 55.578 0.014 . 6 . . . . . 2 Gln CA . 27377 1
4 . 1 1 2 2 GLN N N 15 120.394 0.017 . 6 . . . . . 2 Gln N . 27377 1
5 . 1 1 3 3 ILE H H 1 9.414 0.002 . 6 . . . . . 3 Ile H . 27377 1
6 . 1 1 3 3 ILE CA C 13 60.527 0.014 . 6 . . . . . 3 Ile CA . 27377 1
7 . 1 1 3 3 ILE N N 15 127.791 0.017 . 6 . . . . . 3 Ile N . 27377 1
8 . 1 1 4 4 THR H H 1 8.335 0.002 . 6 . . . . . 4 Thr H . 27377 1
9 . 1 1 4 4 THR CA C 13 60.838 0.014 . 6 . . . . . 4 Thr CA . 27377 1
10 . 1 1 4 4 THR N N 15 115.458 0.017 . 6 . . . . . 4 Thr N . 27377 1
11 . 1 1 5 5 LEU H H 1 9.141 0.002 . 6 . . . . . 5 Leu H . 27377 1
12 . 1 1 5 5 LEU CA C 13 54.1 0.014 . 6 . . . . . 5 Leu CA . 27377 1
13 . 1 1 5 5 LEU N N 15 116.936 0.017 . 6 . . . . . 5 Leu N . 27377 1
14 . 1 1 6 6 TRP H H 1 7.329 0.002 . 6 . . . . . 6 Trp H . 27377 1
15 . 1 1 6 6 TRP CA C 13 59.037 0.014 . 6 . . . . . 6 Trp CA . 27377 1
16 . 1 1 6 6 TRP N N 15 120.782 0.017 . 6 . . . . . 6 Trp N . 27377 1
17 . 1 1 7 7 LYS H H 1 7.469 0.002 . 6 . . . . . 7 Lys H . 27377 1
18 . 1 1 7 7 LYS CA C 13 53.533 0.014 . 6 . . . . . 7 Lys CA . 27377 1
19 . 1 1 7 7 LYS N N 15 115.228 0.017 . 6 . . . . . 7 Lys N . 27377 1
20 . 1 1 8 8 ARG H H 1 8.749 0.002 . 6 . . . . . 8 Arg H . 27377 1
21 . 1 1 8 8 ARG CA C 13 56.179 0.014 . 6 . . . . . 8 Arg CA . 27377 1
22 . 1 1 8 8 ARG N N 15 120.432 0.017 . 6 . . . . . 8 Arg N . 27377 1
23 . 1 1 9 9 PRO CA C 13 61.677 0.014 . 6 . . . . . 9 Pro CA . 27377 1
24 . 1 1 10 10 ILE H H 1 7.611 0.002 . 6 . . . . . 10 Ile H . 27377 1
25 . 1 1 10 10 ILE CA C 13 59.462 0.014 . 6 . . . . . 10 Ile CA . 27377 1
26 . 1 1 10 10 ILE N N 15 126.659 0.017 . 6 . . . . . 10 Ile N . 27377 1
27 . 1 1 11 11 VAL H H 1 9.11 0.002 . 6 . . . . . 11 Val H . 27377 1
28 . 1 1 11 11 VAL CA C 13 58.481 0.014 . 6 . . . . . 11 Val CA . 27377 1
29 . 1 1 11 11 VAL N N 15 120.09 0.017 . 6 . . . . . 11 Val N . 27377 1
30 . 1 1 12 12 THR H H 1 8.486 0.002 . 6 . . . . . 12 Thr H . 27377 1
31 . 1 1 12 12 THR CA C 13 62.724 0.014 . 6 . . . . . 12 Thr CA . 27377 1
32 . 1 1 12 12 THR N N 15 116.264 0.017 . 6 . . . . . 12 Thr N . 27377 1
33 . 1 1 13 13 ILE H H 1 9.286 0.002 . 6 . . . . . 13 Ile H . 27377 1
34 . 1 1 13 13 ILE CA C 13 58.015 0.014 . 6 . . . . . 13 Ile CA . 27377 1
35 . 1 1 13 13 ILE N N 15 120.665 0.017 . 6 . . . . . 13 Ile N . 27377 1
36 . 1 1 14 14 ARG H H 1 8.593 0.002 . 6 . . . . . 14 Arg H . 27377 1
37 . 1 1 14 14 ARG CA C 13 54.661 0.014 . 6 . . . . . 14 Arg CA . 27377 1
38 . 1 1 14 14 ARG N N 15 120.529 0.017 . 6 . . . . . 14 Arg N . 27377 1
39 . 1 1 15 15 ILE H H 1 8.913 0.002 . 6 . . . . . 15 Ile H . 27377 1
40 . 1 1 15 15 ILE CA C 13 59.171 0.014 . 6 . . . . . 15 Ile CA . 27377 1
41 . 1 1 15 15 ILE N N 15 124.786 0.017 . 6 . . . . . 15 Ile N . 27377 1
42 . 1 1 16 16 GLY H H 1 9.732 0.002 . 6 . . . . . 16 Gly H . 27377 1
43 . 1 1 16 16 GLY CA C 13 46.913 0.014 . 6 . . . . . 16 Gly CA . 27377 1
44 . 1 1 16 16 GLY N N 15 118.152 0.017 . 6 . . . . . 16 Gly N . 27377 1
45 . 1 1 17 17 GLY H H 1 8.77 0.002 . 6 . . . . . 17 Gly H . 27377 1
46 . 1 1 17 17 GLY CA C 13 45.036 0.014 . 6 . . . . . 17 Gly CA . 27377 1
47 . 1 1 17 17 GLY N N 15 105.423 0.017 . 6 . . . . . 17 Gly N . 27377 1
48 . 1 1 18 18 GLN H H 1 7.985 0.002 . 6 . . . . . 18 Gln H . 27377 1
49 . 1 1 18 18 GLN CA C 13 54.275 0.014 . 6 . . . . . 18 Gln CA . 27377 1
50 . 1 1 18 18 GLN N N 15 119.978 0.017 . 6 . . . . . 18 Gln N . 27377 1
51 . 1 1 19 19 LEU H H 1 8.46 0.002 . 6 . . . . . 19 Leu H . 27377 1
52 . 1 1 19 19 LEU CA C 13 54.19 0.014 . 6 . . . . . 19 Leu CA . 27377 1
53 . 1 1 19 19 LEU N N 15 123.43 0.017 . 6 . . . . . 19 Leu N . 27377 1
54 . 1 1 20 20 LYS H H 1 9.001 0.002 . 6 . . . . . 20 Lys H . 27377 1
55 . 1 1 20 20 LYS CA C 13 54.165 0.014 . 6 . . . . . 20 Lys CA . 27377 1
56 . 1 1 20 20 LYS N N 15 123.395 0.017 . 6 . . . . . 20 Lys N . 27377 1
57 . 1 1 21 21 GLU H H 1 8.593 0.002 . 6 . . . . . 21 Glu H . 27377 1
58 . 1 1 21 21 GLU CA C 13 55.142 0.014 . 6 . . . . . 21 Glu CA . 27377 1
59 . 1 1 21 21 GLU N N 15 119.554 0.017 . 6 . . . . . 21 Glu N . 27377 1
60 . 1 1 22 22 ALA H H 1 9.248 0.002 . 1 . . . . . 22 Ala H A 27377 1
61 . 1 1 22 22 ALA CA C 13 50.837 0.014 . 1 . . . . . 22 Ala CA A 27377 1
62 . 1 1 22 22 ALA N N 15 123.731 0.017 . 1 . . . . . 22 Ala N A 27377 1
63 . 1 1 24 24 LEU H H 1 8.407 0.002 . 1 . . . . . 24 Leu H A 27377 1
64 . 1 1 24 24 LEU CA C 13 55.582 0.014 . 1 . . . . . 24 Leu CA A 27377 1
65 . 1 1 24 24 LEU N N 15 124.603 0.017 . 1 . . . . . 24 Leu N A 27377 1
66 . 1 1 25 25 ASP H H 1 8.737 0.002 . 1 . . . . . 25 Asp H A 27377 1
67 . 1 1 25 25 ASP CA C 13 52.297 0.014 . 1 . . . . . 25 Asp CA A 27377 1
68 . 1 1 25 25 ASP N N 15 128.68 0.017 . 1 . . . . . 25 Asp N A 27377 1
69 . 1 1 26 26 THR H H 1 8.194 0.002 . 1 . . . . . 26 Thr H A 27377 1
70 . 1 1 26 26 THR CA C 13 65.499 0.014 . 1 . . . . . 26 Thr CA A 27377 1
71 . 1 1 26 26 THR N N 15 110.967 0.017 . 1 . . . . . 26 Thr N A 27377 1
72 . 1 1 27 27 GLY H H 1 7.906 0.002 . 1 . . . . . 27 Gly H A 27377 1
73 . 1 1 27 27 GLY CA C 13 45.161 0.014 . 1 . . . . . 27 Gly CA A 27377 1
74 . 1 1 27 27 GLY N N 15 108.871 0.017 . 1 . . . . . 27 Gly N A 27377 1
75 . 1 1 28 28 ALA H H 1 7.506 0.002 . 1 . . . . . 28 Ala H A 27377 1
76 . 1 1 28 28 ALA CA C 13 50.098 0.014 . 1 . . . . . 28 Ala CA A 27377 1
77 . 1 1 28 28 ALA N N 15 126.265 0.017 . 1 . . . . . 28 Ala N A 27377 1
78 . 1 1 29 29 ASP H H 1 8.63 0.002 . 1 . . . . . 29 Asp H A 27377 1
79 . 1 1 29 29 ASP CA C 13 57.724 0.014 . 1 . . . . . 29 Asp CA A 27377 1
80 . 1 1 29 29 ASP N N 15 125.988 0.017 . 1 . . . . . 29 Asp N A 27377 1
81 . 1 1 30 30 ASP H H 1 7.626 0.002 . 1 . . . . . 30 Asp H A 27377 1
82 . 1 1 30 30 ASP CA C 13 52.84 0.014 . 1 . . . . . 30 Asp CA A 27377 1
83 . 1 1 30 30 ASP N N 15 115.925 0.017 . 1 . . . . . 30 Asp N A 27377 1
84 . 1 1 31 31 THR H H 1 8.295 0.002 . 1 . . . . . 31 Thr H A 27377 1
85 . 1 1 31 31 THR CA C 13 63.101 0.014 . 1 . . . . . 31 Thr CA A 27377 1
86 . 1 1 31 31 THR N N 15 117.259 0.017 . 1 . . . . . 31 Thr N A 27377 1
87 . 1 1 32 32 VAL H H 1 8.229 0.002 . 1 . . . . . 32 Val H A 27377 1
88 . 1 1 32 32 VAL CA C 13 60.296 0.014 . 1 . . . . . 32 Val CA A 27377 1
89 . 1 1 32 32 VAL N N 15 127.948 0.017 . 1 . . . . . 32 Val N A 27377 1
90 . 1 1 33 33 ILE H H 1 9.213 0.002 . 1 . . . . . 33 Ile H A 27377 1
91 . 1 1 33 33 ILE CA C 13 57.141 0.014 . 1 . . . . . 33 Ile CA A 27377 1
92 . 1 1 33 33 ILE N N 15 125.259 0.017 . 1 . . . . . 33 Ile N A 27377 1
93 . 1 1 34 34 GLU H H 1 8.055 0.002 . 1 . . . . . 34 Glu H A 27377 1
94 . 1 1 34 34 GLU CA C 13 55.321 0.014 . 1 . . . . . 34 Glu CA A 27377 1
95 . 1 1 34 34 GLU N N 15 119.758 0.017 . 1 . . . . . 34 Glu N A 27377 1
96 . 1 1 35 35 GLU H H 1 7.573 0.002 . 1 . . . . . 35 Glu H A 27377 1
97 . 1 1 35 35 GLU CA C 13 58.14 0.014 . 1 . . . . . 35 Glu CA A 27377 1
98 . 1 1 35 35 GLU N N 15 115.292 0.017 . 1 . . . . . 35 Glu N A 27377 1
99 . 1 1 36 36 MET H H 1 7.037 0.002 . 1 . . . . . 36 Met H A 27377 1
100 . 1 1 36 36 MET CA C 13 54.689 0.014 . 1 . . . . . 36 Met CA A 27377 1
101 . 1 1 36 36 MET N N 15 120.415 0.017 . 1 . . . . . 36 Met N A 27377 1
102 . 1 1 37 37 ASN H H 1 8.628 0.002 . 6 . . . . . 37 Asn H . 27377 1
103 . 1 1 37 37 ASN CA C 13 52.683 0.014 . 6 . . . . . 37 Asn CA . 27377 1
104 . 1 1 37 37 ASN N N 15 118.709 0.017 . 6 . . . . . 37 Asn N . 27377 1
105 . 1 1 38 38 LEU H H 1 7.284 0.002 . 6 . . . . . 38 Leu H . 27377 1
106 . 1 1 38 38 LEU CA C 13 51.875 0.014 . 6 . . . . . 38 Leu CA . 27377 1
107 . 1 1 38 38 LEU N N 15 124.626 0.017 . 6 . . . . . 38 Leu N . 27377 1
108 . 1 1 39 39 PRO CA C 13 62.701 0.014 . 6 . . . . . 39 Pro CA . 27377 1
109 . 1 1 40 40 GLY H H 1 8.36 0.002 . 6 . . . . . 40 Gly H . 27377 1
110 . 1 1 40 40 GLY CA C 13 44.309 0.014 . 6 . . . . . 40 Gly CA . 27377 1
111 . 1 1 40 40 GLY N N 15 106.18 0.017 . 6 . . . . . 40 Gly N . 27377 1
112 . 1 1 41 41 LYS H H 1 8.395 0.002 . 6 . . . . . 41 Lys H . 27377 1
113 . 1 1 41 41 LYS CA C 13 56.21 0.014 . 6 . . . . . 41 Lys CA . 27377 1
114 . 1 1 41 41 LYS N N 15 119.226 0.017 . 6 . . . . . 41 Lys N . 27377 1
115 . 1 1 42 42 TRP H H 1 7.405 0.002 . 6 . . . . . 42 Trp H . 27377 1
116 . 1 1 42 42 TRP CA C 13 53.874 0.014 . 6 . . . . . 42 Trp CA . 27377 1
117 . 1 1 42 42 TRP N N 15 118.647 0.017 . 6 . . . . . 42 Trp N . 27377 1
118 . 1 1 43 43 LYS H H 1 8.491 0.002 . 6 . . . . . 43 Lys H . 27377 1
119 . 1 1 43 43 LYS CA C 13 52.934 0.014 . 6 . . . . . 43 Lys CA . 27377 1
120 . 1 1 43 43 LYS N N 15 118.073 0.017 . 6 . . . . . 43 Lys N . 27377 1
121 . 1 1 44 44 PRO CA C 13 63.01 0.014 . 6 . . . . . 44 Pro CA . 27377 1
122 . 1 1 45 45 LYS H H 1 8.554 0.002 . 1 . . . . . 45 Lys H A 27377 1
123 . 1 1 45 45 LYS CA C 13 55.607 0.014 . 1 . . . . . 45 Lys CA A 27377 1
124 . 1 1 45 45 LYS N N 15 122.379 0.017 . 1 . . . . . 45 Lys N A 27377 1
125 . 1 1 46 46 MET H H 1 8.527 0.002 . 1 . . . . . 46 Met H A 27377 1
126 . 1 1 46 46 MET CA C 13 53.741 0.014 . 1 . . . . . 46 Met CA A 27377 1
127 . 1 1 46 46 MET N N 15 122.574 0.017 . 1 . . . . . 46 Met N A 27377 1
128 . 1 1 47 47 ILE H H 1 8.854 0.002 . 1 . . . . . 47 Ile H A 27377 1
129 . 1 1 47 47 ILE CA C 13 59.172 0.014 . 1 . . . . . 47 Ile CA A 27377 1
130 . 1 1 47 47 ILE N N 15 118.261 0.017 . 1 . . . . . 47 Ile N A 27377 1
131 . 1 1 48 48 VAL H H 1 8.068 0.002 . 1 . . . . . 48 Val H A 27377 1
132 . 1 1 48 48 VAL CA C 13 61.066 0.014 . 1 . . . . . 48 Val CA A 27377 1
133 . 1 1 48 48 VAL N N 15 121.072 0.017 . 1 . . . . . 48 Val N A 27377 1
134 . 1 1 49 49 GLY H H 1 7.643 0.002 . 1 . . . . . 49 Gly H A 27377 1
135 . 1 1 49 49 GLY CA C 13 43.1 0.014 . 1 . . . . . 49 Gly CA A 27377 1
136 . 1 1 49 49 GLY N N 15 109.155 0.017 . 1 . . . . . 49 Gly N A 27377 1
137 . 1 1 50 50 ILE H H 1 8.91 0.002 . 1 . . . . . 50 Ile H A 27377 1
138 . 1 1 50 50 ILE CA C 13 64.812 0.014 . 1 . . . . . 50 Ile CA A 27377 1
139 . 1 1 50 50 ILE N N 15 120.623 0.017 . 1 . . . . . 50 Ile N A 27377 1
140 . 1 1 51 51 GLY H H 1 8.108 0.002 . 1 . . . . . 51 Gly H A 27377 1
141 . 1 1 51 51 GLY N N 15 103.614 0.017 . 1 . . . . . 51 Gly N A 27377 1
142 . 1 1 52 52 GLY H H 1 7.062 0.002 . 1 . . . . . 52 Gly H A 27377 1
143 . 1 1 52 52 GLY CA C 13 44.133 0.014 . 1 . . . . . 52 Gly CA A 27377 1
144 . 1 1 52 52 GLY N N 15 106.842 0.017 . 1 . . . . . 52 Gly N A 27377 1
145 . 1 1 53 53 PHE H H 1 8.217 0.002 . 1 . . . . . 53 Phe H A 27377 1
146 . 1 1 53 53 PHE CA C 13 57.001 0.014 . 1 . . . . . 53 Phe CA A 27377 1
147 . 1 1 53 53 PHE N N 15 118.106 0.017 . 1 . . . . . 53 Phe N A 27377 1
148 . 1 1 54 54 VAL H H 1 9.072 0.002 . 1 . . . . . 54 Val H A 27377 1
149 . 1 1 54 54 VAL CA C 13 60.704 0.014 . 1 . . . . . 54 Val CA A 27377 1
150 . 1 1 54 54 VAL N N 15 117.424 0.017 . 1 . . . . . 54 Val N A 27377 1
151 . 1 1 55 55 LYS H H 1 8.369 0.002 . 1 . . . . . 55 Lys H A 27377 1
152 . 1 1 55 55 LYS CA C 13 56.249 0.014 . 1 . . . . . 55 Lys CA A 27377 1
153 . 1 1 55 55 LYS N N 15 125.667 0.017 . 1 . . . . . 55 Lys N A 27377 1
154 . 1 1 56 56 VAL H H 1 9.075 0.002 . 1 . . . . . 56 Val H A 27377 1
155 . 1 1 56 56 VAL CA C 13 58.405 0.014 . 1 . . . . . 56 Val CA A 27377 1
156 . 1 1 56 56 VAL N N 15 116.815 0.017 . 1 . . . . . 56 Val N A 27377 1
157 . 1 1 57 57 ARG H H 1 8.699 0.002 . 1 . . . . . 57 Arg H A 27377 1
158 . 1 1 57 57 ARG CA C 13 55.79 0.014 . 1 . . . . . 57 Arg CA A 27377 1
159 . 1 1 57 57 ARG N N 15 118.532 0.017 . 1 . . . . . 57 Arg N A 27377 1
160 . 1 1 58 58 GLN H H 1 9.649 0.002 . 1 . . . . . 58 Gln H A 27377 1
161 . 1 1 58 58 GLN CA C 13 55.862 0.014 . 1 . . . . . 58 Gln CA A 27377 1
162 . 1 1 58 58 GLN N N 15 123.693 0.017 . 1 . . . . . 58 Gln N A 27377 1
163 . 1 1 59 59 TYR H H 1 9.203 0.002 . 1 . . . . . 59 Tyr H A 27377 1
164 . 1 1 59 59 TYR CA C 13 57.281 0.014 . 1 . . . . . 59 Tyr CA A 27377 1
165 . 1 1 59 59 TYR N N 15 129.125 0.017 . 1 . . . . . 59 Tyr N A 27377 1
166 . 1 1 60 60 ASP H H 1 8.862 0.002 . 1 . . . . . 60 Asp H A 27377 1
167 . 1 1 60 60 ASP CA C 13 53.807 0.014 . 1 . . . . . 60 Asp CA A 27377 1
168 . 1 1 60 60 ASP N N 15 121.154 0.017 . 1 . . . . . 60 Asp N A 27377 1
169 . 1 1 61 61 GLN H H 1 8.979 0.002 . 1 . . . . . 61 Gln H A 27377 1
170 . 1 1 61 61 GLN CA C 13 56.294 0.014 . 1 . . . . . 61 Gln CA A 27377 1
171 . 1 1 61 61 GLN N N 15 114.149 0.017 . 1 . . . . . 61 Gln N A 27377 1
172 . 1 1 62 62 ILE H H 1 8.763 0.002 . 1 . . . . . 62 Ile H A 27377 1
173 . 1 1 62 62 ILE CA C 13 55.296 0.014 . 1 . . . . . 62 Ile CA A 27377 1
174 . 1 1 62 62 ILE N N 15 122.159 0.017 . 1 . . . . . 62 Ile N A 27377 1
175 . 1 1 63 63 PRO CA C 13 61.873 0.014 . 6 . . . . . 63 Pro CA . 27377 1
176 . 1 1 64 64 ILE H H 1 8.838 0.002 . 6 . . . . . 64 Ile H . 27377 1
177 . 1 1 64 64 ILE CA C 13 59.483 0.014 . 6 . . . . . 64 Ile CA . 27377 1
178 . 1 1 64 64 ILE N N 15 123.341 0.017 . 6 . . . . . 64 Ile N . 27377 1
179 . 1 1 65 65 GLU H H 1 8.288 0.002 . 6 . . . . . 65 Glu H . 27377 1
180 . 1 1 65 65 GLU CA C 13 54.212 0.014 . 6 . . . . . 65 Glu CA . 27377 1
181 . 1 1 65 65 GLU N N 15 125.49 0.017 . 6 . . . . . 65 Glu N . 27377 1
182 . 1 1 66 66 ILE H H 1 9.161 0.002 . 6 . . . . . 66 Ile H . 27377 1
183 . 1 1 66 66 ILE CA C 13 60.307 0.014 . 6 . . . . . 66 Ile CA . 27377 1
184 . 1 1 66 66 ILE N N 15 124.98 0.017 . 6 . . . . . 66 Ile N . 27377 1
185 . 1 1 67 67 ALA H H 1 9.02 0.002 . 6 . . . . . 67 Ala H . 27377 1
186 . 1 1 67 67 ALA CA C 13 53.223 0.014 . 6 . . . . . 67 Ala CA . 27377 1
187 . 1 1 67 67 ALA N N 15 131.025 0.017 . 6 . . . . . 67 Ala N . 27377 1
188 . 1 1 68 68 GLY H H 1 8.673 0.002 . 6 . . . . . 68 Gly H . 27377 1
189 . 1 1 68 68 GLY CA C 13 45.406 0.014 . 6 . . . . . 68 Gly CA . 27377 1
190 . 1 1 68 68 GLY N N 15 103.011 0.017 . 6 . . . . . 68 Gly N . 27377 1
191 . 1 1 69 69 HIS H H 1 8.296 0.002 . 6 . . . . . 69 His H . 27377 1
192 . 1 1 69 69 HIS CA C 13 54.516 0.014 . 6 . . . . . 69 His CA . 27377 1
193 . 1 1 69 69 HIS N N 15 119.388 0.017 . 6 . . . . . 69 His N . 27377 1
194 . 1 1 70 70 LYS H H 1 8.985 0.002 . 6 . . . . . 70 Lys H . 27377 1
195 . 1 1 70 70 LYS CA C 13 57.713 0.014 . 6 . . . . . 70 Lys CA . 27377 1
196 . 1 1 70 70 LYS N N 15 125.434 0.017 . 6 . . . . . 70 Lys N . 27377 1
197 . 1 1 71 71 ALA H H 1 8.806 0.002 . 6 . . . . . 71 Ala H . 27377 1
198 . 1 1 71 71 ALA CA C 13 50.801 0.014 . 6 . . . . . 71 Ala CA . 27377 1
199 . 1 1 71 71 ALA N N 15 126.505 0.017 . 6 . . . . . 71 Ala N . 27377 1
200 . 1 1 72 72 ILE H H 1 8.482 0.002 . 6 . . . . . 72 Ile H . 27377 1
201 . 1 1 72 72 ILE CA C 13 60.018 0.014 . 6 . . . . . 72 Ile CA . 27377 1
202 . 1 1 72 72 ILE N N 15 119.345 0.017 . 6 . . . . . 72 Ile N . 27377 1
203 . 1 1 73 73 GLY H H 1 8.459 0.002 . 6 . . . . . 73 Gly H . 27377 1
204 . 1 1 73 73 GLY CA C 13 45.994 0.014 . 6 . . . . . 73 Gly CA . 27377 1
205 . 1 1 73 73 GLY N N 15 112.343 0.017 . 6 . . . . . 73 Gly N . 27377 1
206 . 1 1 74 74 THR H H 1 8.709 0.002 . 6 . . . . . 74 Thr H . 27377 1
207 . 1 1 74 74 THR CA C 13 63.436 0.014 . 6 . . . . . 74 Thr CA . 27377 1
208 . 1 1 74 74 THR N N 15 118.55 0.017 . 6 . . . . . 74 Thr N . 27377 1
209 . 1 1 75 75 VAL H H 1 9.26 0.002 . 6 . . . . . 75 Val H . 27377 1
210 . 1 1 75 75 VAL CA C 13 61.437 0.014 . 6 . . . . . 75 Val CA . 27377 1
211 . 1 1 75 75 VAL N N 15 126.911 0.017 . 6 . . . . . 75 Val N . 27377 1
212 . 1 1 76 76 LEU H H 1 8.36 0.002 . 6 . . . . . 76 Leu H . 27377 1
213 . 1 1 76 76 LEU CA C 13 52.226 0.014 . 6 . . . . . 76 Leu CA . 27377 1
214 . 1 1 76 76 LEU N N 15 125.157 0.017 . 6 . . . . . 76 Leu N . 27377 1
215 . 1 1 77 77 VAL H H 1 9.179 0.002 . 6 . . . . . 77 Val H . 27377 1
216 . 1 1 77 77 VAL CA C 13 59.853 0.014 . 6 . . . . . 77 Val CA . 27377 1
217 . 1 1 77 77 VAL N N 15 121.731 0.017 . 6 . . . . . 77 Val N . 27377 1
218 . 1 1 78 78 GLY H H 1 8.941 0.002 . 6 . . . . . 78 Gly H . 27377 1
219 . 1 1 78 78 GLY CA C 13 45.62 0.014 . 6 . . . . . 78 Gly CA . 27377 1
220 . 1 1 78 78 GLY N N 15 115.694 0.017 . 6 . . . . . 78 Gly N . 27377 1
221 . 1 1 79 79 PRO CA C 13 63.043 0.014 . 6 . . . . . 79 Pro CA . 27377 1
222 . 1 1 80 80 THR H H 1 7.727 0.002 . 6 . . . . . 80 Thr H . 27377 1
223 . 1 1 80 80 THR CA C 13 56.557 0.014 . 6 . . . . . 80 Thr CA . 27377 1
224 . 1 1 80 80 THR N N 15 119.799 0.017 . 6 . . . . . 80 Thr N . 27377 1
225 . 1 1 81 81 PRO CA C 13 63.604 0.014 . 6 . . . . . 81 Pro CA . 27377 1
226 . 1 1 82 82 ALA H H 1 7.473 0.002 . 1 . . . . . 82 Ala H A 27377 1
227 . 1 1 82 82 ALA CA C 13 51.156 0.014 . 1 . . . . . 82 Ala CA A 27377 1
228 . 1 1 82 82 ALA N N 15 119.603 0.017 . 1 . . . . . 82 Ala N A 27377 1
229 . 1 1 83 83 ASN H H 1 8.616 0.002 . 1 . . . . . 83 Asn H A 27377 1
230 . 1 1 83 83 ASN CA C 13 53.601 0.014 . 1 . . . . . 83 Asn CA A 27377 1
231 . 1 1 83 83 ASN N N 15 121.203 0.017 . 1 . . . . . 83 Asn N A 27377 1
232 . 1 1 84 84 ILE H H 1 9.47 0.002 . 1 . . . . . 84 Ile H A 27377 1
233 . 1 1 84 84 ILE CA C 13 59.577 0.014 . 1 . . . . . 84 Ile CA A 27377 1
234 . 1 1 84 84 ILE N N 15 120.557 0.017 . 1 . . . . . 84 Ile N A 27377 1
235 . 1 1 85 85 ILE H H 1 8.764 0.002 . 1 . . . . . 85 Ile H A 27377 1
236 . 1 1 85 85 ILE CA C 13 57.796 0.014 . 1 . . . . . 85 Ile CA A 27377 1
237 . 1 1 85 85 ILE N N 15 121.904 0.017 . 1 . . . . . 85 Ile N A 27377 1
238 . 1 1 86 86 GLY H H 1 8.132 0.002 . 1 . . . . . 86 Gly H A 27377 1
239 . 1 1 86 86 GLY CA C 13 43.48 0.014 . 1 . . . . . 86 Gly CA A 27377 1
240 . 1 1 86 86 GLY N N 15 113.749 0.017 . 1 . . . . . 86 Gly N A 27377 1
241 . 1 1 87 87 ARG H H 1 9.378 0.002 . 1 . . . . . 87 Arg H A 27377 1
242 . 1 1 87 87 ARG CA C 13 61.283 0.014 . 1 . . . . . 87 Arg CA A 27377 1
243 . 1 1 87 87 ARG N N 15 116.792 0.017 . 1 . . . . . 87 Arg N A 27377 1
244 . 1 1 88 88 ASN H H 1 7.998 0.002 . 1 . . . . . 88 Asn H A 27377 1
245 . 1 1 88 88 ASN CA C 13 56.956 0.014 . 1 . . . . . 88 Asn CA A 27377 1
246 . 1 1 88 88 ASN N N 15 115.886 0.017 . 1 . . . . . 88 Asn N A 27377 1
247 . 1 1 89 89 LEU H H 1 6.92 0.002 . 1 . . . . . 89 Leu H A 27377 1
248 . 1 1 89 89 LEU CA C 13 55.2 0.014 . 1 . . . . . 89 Leu CA A 27377 1
249 . 1 1 89 89 LEU N N 15 116.568 0.017 . 1 . . . . . 89 Leu N A 27377 1
250 . 1 1 90 90 LEU H H 1 8.251 0.002 . 6 . . . . . 90 Leu H . 27377 1
251 . 1 1 90 90 LEU CA C 13 57.853 0.014 . 6 . . . . . 90 Leu CA . 27377 1
252 . 1 1 90 90 LEU N N 15 120.345 0.017 . 6 . . . . . 90 Leu N . 27377 1
253 . 1 1 91 91 THR H H 1 7.853 0.002 . 6 . . . . . 91 Thr H . 27377 1
254 . 1 1 91 91 THR CA C 13 63.556 0.014 . 6 . . . . . 91 Thr CA . 27377 1
255 . 1 1 91 91 THR N N 15 106.22 0.017 . 6 . . . . . 91 Thr N . 27377 1
256 . 1 1 92 92 GLN H H 1 6.68 0.002 . 6 . . . . . 92 Gln H . 27377 1
257 . 1 1 92 92 GLN CA C 13 57.835 0.014 . 6 . . . . . 92 Gln CA . 27377 1
258 . 1 1 92 92 GLN N N 15 120.052 0.017 . 6 . . . . . 92 Gln N . 27377 1
259 . 1 1 93 93 ILE H H 1 6.938 0.002 . 6 . . . . . 93 Ile H . 27377 1
260 . 1 1 93 93 ILE CA C 13 60.436 0.014 . 6 . . . . . 93 Ile CA . 27377 1
261 . 1 1 93 93 ILE N N 15 108.65 0.017 . 6 . . . . . 93 Ile N . 27377 1
262 . 1 1 94 94 GLY H H 1 7.217 0.002 . 6 . . . . . 94 Gly H . 27377 1
263 . 1 1 94 94 GLY CA C 13 45.955 0.014 . 6 . . . . . 94 Gly CA . 27377 1
264 . 1 1 94 94 GLY N N 15 108.139 0.017 . 6 . . . . . 94 Gly N . 27377 1
265 . 1 1 95 95 ALA H H 1 7.485 0.002 . 6 . . . . . 95 Ala H . 27377 1
266 . 1 1 95 95 ALA CA C 13 51.49 0.014 . 6 . . . . . 95 Ala CA . 27377 1
267 . 1 1 95 95 ALA N N 15 120.376 0.017 . 6 . . . . . 95 Ala N . 27377 1
268 . 1 1 96 96 THR H H 1 9.013 0.002 . 6 . . . . . 96 Thr H . 27377 1
269 . 1 1 96 96 THR CA C 13 59.452 0.014 . 6 . . . . . 96 Thr CA . 27377 1
270 . 1 1 96 96 THR N N 15 108.952 0.017 . 6 . . . . . 96 Thr N . 27377 1
271 . 1 1 97 97 LEU H H 1 8.544 0.002 . 6 . . . . . 97 Leu H . 27377 1
272 . 1 1 97 97 LEU CA C 13 53.326 0.014 . 6 . . . . . 97 Leu CA . 27377 1
273 . 1 1 97 97 LEU N N 15 121.333 0.017 . 6 . . . . . 97 Leu N . 27377 1
274 . 1 1 98 98 ASN H H 1 8.926 0.002 . 6 . . . . . 98 Asn H . 27377 1
275 . 1 1 98 98 ASN CA C 13 52.844 0.014 . 6 . . . . . 98 Asn CA . 27377 1
276 . 1 1 98 98 ASN N N 15 121.734 0.017 . 6 . . . . . 98 Asn N . 27377 1
277 . 1 1 99 99 PHE H H 1 8.022 0.002 . 6 . . . . . 99 Phe H . 27377 1
278 . 1 1 99 99 PHE CA C 13 58.954 0.014 . 6 . . . . . 99 Phe CA . 27377 1
279 . 1 1 99 99 PHE N N 15 122.135 0.017 . 6 . . . . . 99 Phe N . 27377 1
280 . 2 1 2 2 GLN CA C 13 55.52 0.014 . 6 . . . . . 2 Gln CA . 27377 1
281 . 2 1 3 3 ILE H H 1 9.459 0.002 . 6 . . . . . 3 Ile H . 27377 1
282 . 2 1 3 3 ILE CA C 13 55.481 0.014 . 6 . . . . . 3 Ile CA . 27377 1
283 . 2 1 3 3 ILE N N 15 127.724 0.017 . 6 . . . . . 3 Ile N . 27377 1
284 . 2 1 8 8 ARG H H 1 8.803 0.002 . 6 . . . . . 8 Arg H . 27377 1
285 . 2 1 8 8 ARG CA C 13 56.175 0.014 . 6 . . . . . 8 Arg CA . 27377 1
286 . 2 1 8 8 ARG N N 15 120.992 0.017 . 6 . . . . . 8 Arg N . 27377 1
287 . 2 1 9 9 PRO CA C 13 61.675 0.014 . 6 . . . . . 9 Pro CA . 27377 1
288 . 2 1 10 10 ILE H H 1 7.594 0.002 . 6 . . . . . 10 Ile H . 27377 1
289 . 2 1 10 10 ILE CA C 13 59.207 0.014 . 6 . . . . . 10 Ile CA . 27377 1
290 . 2 1 10 10 ILE N N 15 126.87 0.017 . 6 . . . . . 10 Ile N . 27377 1
291 . 2 1 11 11 VAL H H 1 9.168 0.002 . 6 . . . . . 11 Val H . 27377 1
292 . 2 1 11 11 VAL CA C 13 58.412 0.014 . 6 . . . . . 11 Val CA . 27377 1
293 . 2 1 11 11 VAL N N 15 119.997 0.017 . 6 . . . . . 11 Val N . 27377 1
294 . 2 1 12 12 THR H H 1 8.515 0.002 . 6 . . . . . 12 Thr H . 27377 1
295 . 2 1 12 12 THR CA C 13 62.727 0.014 . 6 . . . . . 12 Thr CA . 27377 1
296 . 2 1 12 12 THR N N 15 116.357 0.017 . 6 . . . . . 12 Thr N . 27377 1
297 . 2 1 13 13 ILE H H 1 9.265 0.002 . 6 . . . . . 13 Ile H . 27377 1
298 . 2 1 13 13 ILE CA C 13 57.967 0.014 . 6 . . . . . 13 Ile CA . 27377 1
299 . 2 1 13 13 ILE N N 15 120.862 0.017 . 6 . . . . . 13 Ile N . 27377 1
300 . 2 1 14 14 ARG H H 1 8.548 0.002 . 6 . . . . . 14 Arg H . 27377 1
301 . 2 1 14 14 ARG CA C 13 54.628 0.014 . 6 . . . . . 14 Arg CA . 27377 1
302 . 2 1 14 14 ARG N N 15 121.102 0.017 . 6 . . . . . 14 Arg N . 27377 1
303 . 2 1 15 15 ILE H H 1 8.932 0.002 . 6 . . . . . 15 Ile H . 27377 1
304 . 2 1 15 15 ILE CA C 13 59.172 0.014 . 6 . . . . . 15 Ile CA . 27377 1
305 . 2 1 15 15 ILE N N 15 124.854 0.017 . 6 . . . . . 15 Ile N . 27377 1
306 . 2 1 17 17 GLY CA C 13 45.024 0.014 . 6 . . . . . 17 Gly CA . 27377 1
307 . 2 1 18 18 GLN H H 1 8.033 0.002 . 6 . . . . . 18 Gln H . 27377 1
308 . 2 1 18 18 GLN CA C 13 54.354 0.014 . 6 . . . . . 18 Gln CA . 27377 1
309 . 2 1 18 18 GLN N N 15 120.018 0.017 . 6 . . . . . 18 Gln N . 27377 1
310 . 2 1 22 22 ALA H H 1 9.238 0.002 . 1 . . . . . 22 Ala H B 27377 1
311 . 2 1 22 22 ALA CA C 13 50.821 0.014 . 1 . . . . . 22 Ala CA B 27377 1
312 . 2 1 22 22 ALA N N 15 123.589 0.017 . 1 . . . . . 22 Ala N B 27377 1
313 . 2 1 23 23 LEU H H 1 8.58 0.002 . 1 . . . . . 23 Leu H B 27377 1
314 . 2 1 23 23 LEU CA C 13 53.632 0.014 . 1 . . . . . 23 Leu CA B 27377 1
315 . 2 1 23 23 LEU N N 15 119.767 0.017 . 1 . . . . . 23 Leu N B 27377 1
316 . 2 1 24 24 LEU H H 1 8.301 0.002 . 1 . . . . . 24 Leu H B 27377 1
317 . 2 1 24 24 LEU CA C 13 54.729 0.014 . 1 . . . . . 24 Leu CA B 27377 1
318 . 2 1 24 24 LEU N N 15 121.664 0.017 . 1 . . . . . 24 Leu N B 27377 1
319 . 2 1 25 25 ASP H H 1 8.76 0.002 . 1 . . . . . 25 Asp H B 27377 1
320 . 2 1 25 25 ASP CA C 13 53.082 0.014 . 1 . . . . . 25 Asp CA B 27377 1
321 . 2 1 25 25 ASP N N 15 126.955 0.017 . 1 . . . . . 25 Asp N B 27377 1
322 . 2 1 26 26 THR H H 1 8.383 0.002 . 1 . . . . . 26 Thr H B 27377 1
323 . 2 1 26 26 THR CA C 13 64.691 0.014 . 1 . . . . . 26 Thr CA B 27377 1
324 . 2 1 26 26 THR N N 15 112.668 0.017 . 1 . . . . . 26 Thr N B 27377 1
325 . 2 1 27 27 GLY H H 1 9.357 0.002 . 1 . . . . . 27 Gly H B 27377 1
326 . 2 1 27 27 GLY CA C 13 44.956 0.014 . 1 . . . . . 27 Gly CA B 27377 1
327 . 2 1 27 27 GLY N N 15 109.178 0.017 . 1 . . . . . 27 Gly N B 27377 1
328 . 2 1 28 28 ALA H H 1 6.89 0.002 . 1 . . . . . 28 Ala H B 27377 1
329 . 2 1 28 28 ALA CA C 13 49.174 0.014 . 1 . . . . . 28 Ala CA B 27377 1
330 . 2 1 28 28 ALA N N 15 124.298 0.017 . 1 . . . . . 28 Ala N B 27377 1
331 . 2 1 29 29 ASP H H 1 8.437 0.002 . 1 . . . . . 29 Asp H B 27377 1
332 . 2 1 29 29 ASP CA C 13 58.258 0.014 . 1 . . . . . 29 Asp CA B 27377 1
333 . 2 1 29 29 ASP N N 15 124.127 0.017 . 1 . . . . . 29 Asp N B 27377 1
334 . 2 1 30 30 ASP H H 1 7.138 0.002 . 1 . . . . . 30 Asp H B 27377 1
335 . 2 1 30 30 ASP CA C 13 52.368 0.014 . 1 . . . . . 30 Asp CA B 27377 1
336 . 2 1 30 30 ASP N N 15 113.082 0.017 . 1 . . . . . 30 Asp N B 27377 1
337 . 2 1 31 31 THR H H 1 7.773 0.002 . 1 . . . . . 31 Thr H B 27377 1
338 . 2 1 31 31 THR CA C 13 63.83 0.014 . 1 . . . . . 31 Thr CA B 27377 1
339 . 2 1 31 31 THR N N 15 119.52 0.017 . 1 . . . . . 31 Thr N B 27377 1
340 . 2 1 32 32 VAL H H 1 9.101 0.002 . 1 . . . . . 32 Val H B 27377 1
341 . 2 1 32 32 VAL CA C 13 59.669 0.014 . 1 . . . . . 32 Val CA B 27377 1
342 . 2 1 32 32 VAL N N 15 128.175 0.017 . 1 . . . . . 32 Val N B 27377 1
343 . 2 1 33 33 ILE H H 1 9.193 0.002 . 1 . . . . . 33 Ile H B 27377 1
344 . 2 1 33 33 ILE CA C 13 56.924 0.014 . 1 . . . . . 33 Ile CA B 27377 1
345 . 2 1 33 33 ILE N N 15 125.749 0.017 . 1 . . . . . 33 Ile N B 27377 1
346 . 2 1 34 34 GLU H H 1 7.943 0.002 . 1 . . . . . 34 Glu H B 27377 1
347 . 2 1 34 34 GLU CA C 13 55.286 0.014 . 1 . . . . . 34 Glu CA B 27377 1
348 . 2 1 34 34 GLU N N 15 119.702 0.017 . 1 . . . . . 34 Glu N B 27377 1
349 . 2 1 35 35 GLU H H 1 7.091 0.002 . 1 . . . . . 35 Glu H B 27377 1
350 . 2 1 35 35 GLU CA C 13 58.305 0.014 . 1 . . . . . 35 Glu CA B 27377 1
351 . 2 1 35 35 GLU N N 15 115.405 0.017 . 1 . . . . . 35 Glu N B 27377 1
352 . 2 1 36 36 MET H H 1 6.963 0.002 . 1 . . . . . 36 Met H B 27377 1
353 . 2 1 36 36 MET CA C 13 54.705 0.014 . 1 . . . . . 36 Met CA B 27377 1
354 . 2 1 36 36 MET N N 15 120.597 0.017 . 1 . . . . . 36 Met N B 27377 1
355 . 2 1 37 37 ASN H H 1 8.641 0.002 . 6 . . . . . 37 Asn H . 27377 1
356 . 2 1 37 37 ASN CA C 13 52.617 0.014 . 6 . . . . . 37 Asn CA . 27377 1
357 . 2 1 37 37 ASN N N 15 118.909 0.017 . 6 . . . . . 37 Asn N . 27377 1
358 . 2 1 38 38 LEU H H 1 7.43 0.002 . 6 . . . . . 38 Leu H . 27377 1
359 . 2 1 38 38 LEU CA C 13 51.765 0.014 . 6 . . . . . 38 Leu CA . 27377 1
360 . 2 1 38 38 LEU N N 15 124.991 0.017 . 6 . . . . . 38 Leu N . 27377 1
361 . 2 1 40 40 GLY H H 1 8.37 0.002 . 6 . . . . . 40 Gly H . 27377 1
362 . 2 1 40 40 GLY N N 15 106.012 0.017 . 6 . . . . . 40 Gly N . 27377 1
363 . 2 1 41 41 LYS H H 1 8.405 0.002 . 6 . . . . . 41 Lys H . 27377 1
364 . 2 1 41 41 LYS CA C 13 56.15 0.014 . 6 . . . . . 41 Lys CA . 27377 1
365 . 2 1 41 41 LYS N N 15 119.339 0.017 . 6 . . . . . 41 Lys N . 27377 1
366 . 2 1 42 42 TRP H H 1 7.368 0.002 . 6 . . . . . 42 Trp H . 27377 1
367 . 2 1 42 42 TRP CA C 13 53.715 0.014 . 6 . . . . . 42 Trp CA . 27377 1
368 . 2 1 42 42 TRP N N 15 117.918 0.017 . 6 . . . . . 42 Trp N . 27377 1
369 . 2 1 43 43 LYS H H 1 8.321 0.002 . 6 . . . . . 43 Lys H . 27377 1
370 . 2 1 43 43 LYS CA C 13 52.86 0.014 . 6 . . . . . 43 Lys CA . 27377 1
371 . 2 1 43 43 LYS N N 15 117.931 0.017 . 6 . . . . . 43 Lys N . 27377 1
372 . 2 1 44 44 PRO CA C 13 63.198 0.014 . 6 . . . . . 44 Pro CA . 27377 1
373 . 2 1 45 45 LYS H H 1 8.595 0.002 . 1 . . . . . 45 Lys H B 27377 1
374 . 2 1 45 45 LYS CA C 13 55.213 0.014 . 1 . . . . . 45 Lys CA B 27377 1
375 . 2 1 45 45 LYS N N 15 122.259 0.017 . 1 . . . . . 45 Lys N B 27377 1
376 . 2 1 46 46 MET H H 1 8.389 0.002 . 1 . . . . . 46 Met H B 27377 1
377 . 2 1 46 46 MET CA C 13 54.199 0.014 . 1 . . . . . 46 Met CA B 27377 1
378 . 2 1 46 46 MET N N 15 121.854 0.017 . 1 . . . . . 46 Met N B 27377 1
379 . 2 1 47 47 ILE H H 1 8.781 0.002 . 1 . . . . . 47 Ile H B 27377 1
380 . 2 1 47 47 ILE CA C 13 59.702 0.014 . 1 . . . . . 47 Ile CA B 27377 1
381 . 2 1 47 47 ILE N N 15 118.373 0.017 . 1 . . . . . 47 Ile N B 27377 1
382 . 2 1 48 48 VAL H H 1 8.412 0.002 . 1 . . . . . 48 Val H B 27377 1
383 . 2 1 48 48 VAL CA C 13 61.012 0.014 . 1 . . . . . 48 Val CA B 27377 1
384 . 2 1 48 48 VAL N N 15 121.117 0.017 . 1 . . . . . 48 Val N B 27377 1
385 . 2 1 49 49 GLY H H 1 7.757 0.002 . 1 . . . . . 49 Gly H B 27377 1
386 . 2 1 49 49 GLY CA C 13 44.895 0.014 . 1 . . . . . 49 Gly CA B 27377 1
387 . 2 1 49 49 GLY N N 15 111.623 0.017 . 1 . . . . . 49 Gly N B 27377 1
388 . 2 1 50 50 ILE H H 1 8.134 0.002 . 1 . . . . . 50 Ile H B 27377 1
389 . 2 1 50 50 ILE CA C 13 64.634 0.014 . 1 . . . . . 50 Ile CA B 27377 1
390 . 2 1 50 50 ILE N N 15 123.378 0.017 . 1 . . . . . 50 Ile N B 27377 1
391 . 2 1 51 51 GLY CA C 13 43.632 0.014 . 1 . . . . . 51 Gly CA B 27377 1
392 . 2 1 52 52 GLY H H 1 7.297 0.002 . 1 . . . . . 52 Gly H B 27377 1
393 . 2 1 52 52 GLY CA C 13 44.515 0.014 . 1 . . . . . 52 Gly CA B 27377 1
394 . 2 1 52 52 GLY N N 15 105.352 0.017 . 1 . . . . . 52 Gly N B 27377 1
395 . 2 1 53 53 PHE H H 1 8.034 0.002 . 1 . . . . . 53 Phe H B 27377 1
396 . 2 1 53 53 PHE CA C 13 56.141 0.014 . 1 . . . . . 53 Phe CA B 27377 1
397 . 2 1 53 53 PHE N N 15 117.894 0.017 . 1 . . . . . 53 Phe N B 27377 1
398 . 2 1 54 54 VAL H H 1 8.942 0.002 . 1 . . . . . 54 Val H B 27377 1
399 . 2 1 54 54 VAL CA C 13 61.344 0.014 . 1 . . . . . 54 Val CA B 27377 1
400 . 2 1 54 54 VAL N N 15 119.873 0.017 . 1 . . . . . 54 Val N B 27377 1
401 . 2 1 55 55 LYS H H 1 8.62 0.002 . 1 . . . . . 55 Lys H B 27377 1
402 . 2 1 55 55 LYS CA C 13 56.817 0.014 . 1 . . . . . 55 Lys CA B 27377 1
403 . 2 1 55 55 LYS N N 15 127.969 0.017 . 1 . . . . . 55 Lys N B 27377 1
404 . 2 1 56 56 VAL H H 1 8.782 0.002 . 1 . . . . . 56 Val H B 27377 1
405 . 2 1 56 56 VAL CA C 13 58.274 0.014 . 1 . . . . . 56 Val CA B 27377 1
406 . 2 1 56 56 VAL N N 15 116.245 0.017 . 1 . . . . . 56 Val N B 27377 1
407 . 2 1 57 57 ARG H H 1 9.033 0.002 . 1 . . . . . 57 Arg H B 27377 1
408 . 2 1 57 57 ARG CA C 13 55.366 0.014 . 1 . . . . . 57 Arg CA B 27377 1
409 . 2 1 57 57 ARG N N 15 119.467 0.017 . 1 . . . . . 57 Arg N B 27377 1
410 . 2 1 58 58 GLN H H 1 9.745 0.002 . 1 . . . . . 58 Gln H B 27377 1
411 . 2 1 58 58 GLN CA C 13 56.055 0.014 . 1 . . . . . 58 Gln CA B 27377 1
412 . 2 1 58 58 GLN N N 15 123.551 0.017 . 1 . . . . . 58 Gln N B 27377 1
413 . 2 1 59 59 TYR H H 1 9.214 0.002 . 1 . . . . . 59 Tyr H B 27377 1
414 . 2 1 59 59 TYR CA C 13 57.419 0.014 . 1 . . . . . 59 Tyr CA B 27377 1
415 . 2 1 59 59 TYR N N 15 129.134 0.017 . 1 . . . . . 59 Tyr N B 27377 1
416 . 2 1 60 60 ASP H H 1 8.954 0.002 . 1 . . . . . 60 Asp H B 27377 1
417 . 2 1 60 60 ASP CA C 13 53.707 0.014 . 1 . . . . . 60 Asp CA B 27377 1
418 . 2 1 60 60 ASP N N 15 120.572 0.017 . 1 . . . . . 60 Asp N B 27377 1
419 . 2 1 61 61 GLN H H 1 8.916 0.002 . 1 . . . . . 61 Gln H B 27377 1
420 . 2 1 61 61 GLN CA C 13 56.276 0.014 . 1 . . . . . 61 Gln CA B 27377 1
421 . 2 1 61 61 GLN N N 15 113.985 0.017 . 1 . . . . . 61 Gln N B 27377 1
422 . 2 1 62 62 ILE H H 1 8.732 0.002 . 1 . . . . . 62 Ile H B 27377 1
423 . 2 1 62 62 ILE CA C 13 55.265 0.014 . 1 . . . . . 62 Ile CA B 27377 1
424 . 2 1 62 62 ILE N N 15 122.333 0.017 . 1 . . . . . 62 Ile N B 27377 1
425 . 2 1 63 63 PRO CA C 13 61.927 0.014 . 6 . . . . . 63 Pro CA . 27377 1
426 . 2 1 64 64 ILE H H 1 8.861 0.002 . 6 . . . . . 64 Ile H . 27377 1
427 . 2 1 64 64 ILE CA C 13 59.21 0.014 . 6 . . . . . 64 Ile CA . 27377 1
428 . 2 1 64 64 ILE N N 15 123.77 0.017 . 6 . . . . . 64 Ile N . 27377 1
429 . 2 1 65 65 GLU H H 1 8.266 0.002 . 6 . . . . . 65 Glu H . 27377 1
430 . 2 1 65 65 GLU N N 15 125.557 0.017 . 6 . . . . . 65 Glu N . 27377 1
431 . 2 1 66 66 ILE H H 1 9.21 0.002 . 6 . . . . . 66 Ile H . 27377 1
432 . 2 1 66 66 ILE N N 15 125.237 0.017 . 6 . . . . . 66 Ile N . 27377 1
433 . 2 1 71 71 ALA CA C 13 50.799 0.014 . 6 . . . . . 71 Ala CA . 27377 1
434 . 2 1 72 72 ILE H H 1 8.44 0.002 . 6 . . . . . 72 Ile H . 27377 1
435 . 2 1 72 72 ILE CA C 13 59.99 0.014 . 6 . . . . . 72 Ile CA . 27377 1
436 . 2 1 72 72 ILE N N 15 119.489 0.017 . 6 . . . . . 72 Ile N . 27377 1
437 . 2 1 73 73 GLY H H 1 8.46 0.002 . 6 . . . . . 73 Gly H . 27377 1
438 . 2 1 73 73 GLY CA C 13 46.045 0.014 . 6 . . . . . 73 Gly CA . 27377 1
439 . 2 1 73 73 GLY N N 15 112.594 0.017 . 6 . . . . . 73 Gly N . 27377 1
440 . 2 1 74 74 THR H H 1 8.612 0.002 . 6 . . . . . 74 Thr H . 27377 1
441 . 2 1 74 74 THR CA C 13 63.752 0.014 . 6 . . . . . 74 Thr CA . 27377 1
442 . 2 1 74 74 THR N N 15 118.691 0.017 . 6 . . . . . 74 Thr N . 27377 1
443 . 2 1 75 75 VAL H H 1 9.036 0.002 . 6 . . . . . 75 Val H . 27377 1
444 . 2 1 75 75 VAL CA C 13 61.47 0.014 . 6 . . . . . 75 Val CA . 27377 1
445 . 2 1 75 75 VAL N N 15 124.348 0.017 . 6 . . . . . 75 Val N . 27377 1
446 . 2 1 76 76 LEU H H 1 8.402 0.002 . 6 . . . . . 76 Leu H . 27377 1
447 . 2 1 76 76 LEU CA C 13 52.445 0.014 . 6 . . . . . 76 Leu CA . 27377 1
448 . 2 1 76 76 LEU N N 15 125.425 0.017 . 6 . . . . . 76 Leu N . 27377 1
449 . 2 1 77 77 VAL H H 1 9.253 0.002 . 6 . . . . . 77 Val H . 27377 1
450 . 2 1 77 77 VAL CA C 13 59.92 0.014 . 6 . . . . . 77 Val CA . 27377 1
451 . 2 1 77 77 VAL N N 15 121.455 0.017 . 6 . . . . . 77 Val N . 27377 1
452 . 2 1 78 78 GLY H H 1 8.784 0.002 . 6 . . . . . 78 Gly H . 27377 1
453 . 2 1 78 78 GLY CA C 13 45.626 0.014 . 6 . . . . . 78 Gly CA . 27377 1
454 . 2 1 78 78 GLY N N 15 113.541 0.017 . 6 . . . . . 78 Gly N . 27377 1
455 . 2 1 79 79 PRO CA C 13 62.794 0.014 . 6 . . . . . 79 Pro CA . 27377 1
456 . 2 1 80 80 THR H H 1 8.109 0.002 . 6 . . . . . 80 Thr H . 27377 1
457 . 2 1 80 80 THR CA C 13 56.689 0.014 . 6 . . . . . 80 Thr CA . 27377 1
458 . 2 1 80 80 THR N N 15 118.195 0.017 . 6 . . . . . 80 Thr N . 27377 1
459 . 2 1 81 81 PRO CA C 13 63.267 0.014 . 6 . . . . . 81 Pro CA . 27377 1
460 . 2 1 82 82 ALA H H 1 7.346 0.002 . 1 . . . . . 82 Ala H B 27377 1
461 . 2 1 82 82 ALA CA C 13 51.078 0.014 . 1 . . . . . 82 Ala CA B 27377 1
462 . 2 1 82 82 ALA N N 15 120.243 0.017 . 1 . . . . . 82 Ala N B 27377 1
463 . 2 1 83 83 ASN H H 1 8.641 0.002 . 1 . . . . . 83 Asn H B 27377 1
464 . 2 1 83 83 ASN CA C 13 53.667 0.014 . 1 . . . . . 83 Asn CA B 27377 1
465 . 2 1 83 83 ASN N N 15 119.865 0.017 . 1 . . . . . 83 Asn N B 27377 1
466 . 2 1 84 84 ILE H H 1 9.653 0.002 . 1 . . . . . 84 Ile H B 27377 1
467 . 2 1 84 84 ILE CA C 13 61.337 0.014 . 1 . . . . . 84 Ile CA B 27377 1
468 . 2 1 84 84 ILE N N 15 127.537 0.017 . 1 . . . . . 84 Ile N B 27377 1
469 . 2 1 85 85 ILE H H 1 9.295 0.002 . 1 . . . . . 85 Ile H B 27377 1
470 . 2 1 85 85 ILE CA C 13 58.245 0.014 . 1 . . . . . 85 Ile CA B 27377 1
471 . 2 1 85 85 ILE N N 15 125.928 0.017 . 1 . . . . . 85 Ile N B 27377 1
472 . 2 1 86 86 GLY H H 1 8.088 0.002 . 1 . . . . . 86 Gly H B 27377 1
473 . 2 1 86 86 GLY CA C 13 43.455 0.014 . 1 . . . . . 86 Gly CA B 27377 1
474 . 2 1 86 86 GLY N N 15 112.631 0.017 . 1 . . . . . 86 Gly N B 27377 1
475 . 2 1 87 87 ARG H H 1 9.179 0.002 . 1 . . . . . 87 Arg H B 27377 1
476 . 2 1 87 87 ARG CA C 13 61.313 0.014 . 1 . . . . . 87 Arg CA B 27377 1
477 . 2 1 87 87 ARG N N 15 116.848 0.017 . 1 . . . . . 87 Arg N B 27377 1
478 . 2 1 88 88 ASN H H 1 7.893 0.002 . 1 . . . . . 88 Asn H B 27377 1
479 . 2 1 88 88 ASN CA C 13 56.786 0.014 . 1 . . . . . 88 Asn CA B 27377 1
480 . 2 1 88 88 ASN N N 15 115.103 0.017 . 1 . . . . . 88 Asn N B 27377 1
481 . 2 1 89 89 LEU H H 1 6.96 0.002 . 1 . . . . . 89 Leu H B 27377 1
482 . 2 1 89 89 LEU CA C 13 55.219 0.014 . 1 . . . . . 89 Leu CA B 27377 1
483 . 2 1 89 89 LEU N N 15 115.95 0.017 . 1 . . . . . 89 Leu N B 27377 1
484 . 2 1 90 90 LEU H H 1 8.358 0.002 . 6 . . . . . 90 Leu H . 27377 1
485 . 2 1 90 90 LEU CA C 13 57.832 0.014 . 6 . . . . . 90 Leu CA . 27377 1
486 . 2 1 90 90 LEU N N 15 120.153 0.017 . 6 . . . . . 90 Leu N . 27377 1
487 . 2 1 91 91 THR H H 1 7.803 0.002 . 6 . . . . . 91 Thr H . 27377 1
488 . 2 1 91 91 THR CA C 13 63.519 0.014 . 6 . . . . . 91 Thr CA . 27377 1
489 . 2 1 91 91 THR N N 15 105.928 0.017 . 6 . . . . . 91 Thr N . 27377 1
490 . 2 1 93 93 ILE H H 1 6.953 0.002 . 6 . . . . . 93 Ile H . 27377 1
491 . 2 1 93 93 ILE CA C 13 60.443 0.014 . 6 . . . . . 93 Ile CA . 27377 1
492 . 2 1 93 93 ILE N N 15 108.694 0.017 . 6 . . . . . 93 Ile N . 27377 1
493 . 2 1 94 94 GLY CA C 13 45.994 0.014 . 6 . . . . . 94 Gly CA . 27377 1
494 . 2 1 95 95 ALA H H 1 7.437 0.002 . 6 . . . . . 95 Ala H . 27377 1
495 . 2 1 95 95 ALA CA C 13 51.519 0.014 . 6 . . . . . 95 Ala CA . 27377 1
496 . 2 1 95 95 ALA N N 15 120.254 0.017 . 6 . . . . . 95 Ala N . 27377 1
497 . 2 1 96 96 THR CA C 13 59.425 0.014 . 6 . . . . . 96 Thr CA . 27377 1
498 . 2 1 97 97 LEU H H 1 8.500 0.002 . 6 . . . . . 97 Leu H . 27377 1
499 . 2 1 97 97 LEU CA C 13 53.241 0.014 . 6 . . . . . 97 Leu CA . 27377 1
500 . 2 1 97 97 LEU N N 15 121.512 0.017 . 6 . . . . . 97 Leu N . 27377 1
501 . 2 1 98 98 ASN CA C 13 52.742 0.014 . 6 . . . . . 98 Asn CA . 27377 1
502 . 2 1 99 99 PHE H H 1 7.992 0.002 . 6 . . . . . 99 Phe H . 27377 1
503 . 2 1 99 99 PHE CA C 13 58.986 0.014 . 6 . . . . . 99 Phe CA . 27377 1
504 . 2 1 99 99 PHE N N 15 121.891 0.017 . 6 . . . . . 99 Phe N . 27377 1
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