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 17620
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 17620 1
2 '3D HNCO' . . . 17620 1
3 '3D HNCA' . . . 17620 1
4 '3D HNCACB' . . . 17620 1
5 '3D CBCA(CO)NH' . . . 17620 1
6 '3D C(CO)NH' . . . 17620 1
7 '3D H(CCO)NH' . . . 17620 1
8 '3D HBHA(CO)NH' . . . 17620 1
9 '3D HNHA' . . . 17620 1
10 '3D 1H-15N NOESY' . . . 17620 1
11 '2D 1H-13C HMQC' . . . 17620 1
12 '3D HCCH-TOCSY' . . . 17620 1
13 '3D CCH-TOCSY' . . . 17620 1
14 '2D 1H-1H TOCSY' . . . 17620 1
15 '2D 1H-1H NOESY' . . . 17620 1
16 '3D 1H-13C NOESY aliphatic' . . . 17620 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 5 5 SER HA H 1 4.373 0.02 . 1 . . . . 5 SER HA . 17620 1
2 . 1 1 5 5 SER HB2 H 1 3.683 0.02 . 2 . . . . 5 SER HB . 17620 1
3 . 1 1 5 5 SER HB3 H 1 3.683 0.02 . 2 . . . . 5 SER HB . 17620 1
4 . 1 1 5 5 SER CA C 13 58.299 0.1 . 1 . . . . 5 SER CA . 17620 1
5 . 1 1 5 5 SER CB C 13 63.909 0.1 . 1 . . . . 5 SER CB . 17620 1
6 . 1 1 6 6 TYR H H 1 8.130 0.02 . 1 . . . . 6 TYR H . 17620 1
7 . 1 1 6 6 TYR HA H 1 4.779 0.02 . 1 . . . . 6 TYR HA . 17620 1
8 . 1 1 6 6 TYR HB2 H 1 3.043 0.02 . 2 . . . . 6 TYR HB2 . 17620 1
9 . 1 1 6 6 TYR HB3 H 1 2.725 0.02 . 2 . . . . 6 TYR HB3 . 17620 1
10 . 1 1 6 6 TYR HD1 H 1 7.088 0.02 . 3 . . . . 6 TYR HD . 17620 1
11 . 1 1 6 6 TYR HD2 H 1 7.088 0.02 . 3 . . . . 6 TYR HD . 17620 1
12 . 1 1 6 6 TYR HE1 H 1 6.741 0.02 . 3 . . . . 6 TYR HE . 17620 1
13 . 1 1 6 6 TYR HE2 H 1 6.741 0.02 . 3 . . . . 6 TYR HE . 17620 1
14 . 1 1 6 6 TYR CA C 13 55.852 0.1 . 1 . . . . 6 TYR CA . 17620 1
15 . 1 1 6 6 TYR CB C 13 38.064 0.1 . 1 . . . . 6 TYR CB . 17620 1
16 . 1 1 6 6 TYR CD1 C 13 133.283 0.1 . 3 . . . . 6 TYR CD1 . 17620 1
17 . 1 1 6 6 TYR CE1 C 13 118.297 0.1 . 3 . . . . 6 TYR CE1 . 17620 1
18 . 1 1 6 6 TYR N N 15 122.566 0.1 . 1 . . . . 6 TYR N . 17620 1
19 . 1 1 7 7 PRO HA H 1 4.378 0.02 . 1 . . . . 7 PRO HA . 17620 1
20 . 1 1 7 7 PRO HB2 H 1 1.857 0.02 . 2 . . . . 7 PRO HB2 . 17620 1
21 . 1 1 7 7 PRO HB3 H 1 1.934 0.02 . 2 . . . . 7 PRO HB3 . 17620 1
22 . 1 1 7 7 PRO HG2 H 1 2.239 0.02 . 2 . . . . 7 PRO HG . 17620 1
23 . 1 1 7 7 PRO HG3 H 1 2.239 0.02 . 2 . . . . 7 PRO HG . 17620 1
24 . 1 1 7 7 PRO HD2 H 1 3.676 0.02 . 2 . . . . 7 PRO HD . 17620 1
25 . 1 1 7 7 PRO HD3 H 1 3.676 0.02 . 2 . . . . 7 PRO HD . 17620 1
26 . 1 1 7 7 PRO CA C 13 63.216 0.1 . 1 . . . . 7 PRO CA . 17620 1
27 . 1 1 7 7 PRO CB C 13 32.059 0.1 . 1 . . . . 7 PRO CB . 17620 1
28 . 1 1 7 7 PRO CG C 13 27.123 0.1 . 1 . . . . 7 PRO CG . 17620 1
29 . 1 1 8 8 GLN H H 1 8.422 0.02 . 1 . . . . 8 GLN H . 17620 1
30 . 1 1 8 8 GLN HA H 1 4.228 0.02 . 1 . . . . 8 GLN HA . 17620 1
31 . 1 1 8 8 GLN HB2 H 1 1.909 0.02 . 2 . . . . 8 GLN HB . 17620 1
32 . 1 1 8 8 GLN HB3 H 1 1.909 0.02 . 2 . . . . 8 GLN HB . 17620 1
33 . 1 1 8 8 GLN HG2 H 1 2.382 0.02 . 2 . . . . 8 GLN HG . 17620 1
34 . 1 1 8 8 GLN HG3 H 1 2.382 0.02 . 2 . . . . 8 GLN HG . 17620 1
35 . 1 1 8 8 GLN C C 13 175.998 0.1 . 1 . . . . 8 GLN C . 17620 1
36 . 1 1 8 8 GLN CA C 13 56.867 0.1 . 1 . . . . 8 GLN CA . 17620 1
37 . 1 1 8 8 GLN CB C 13 29.994 0.1 . 1 . . . . 8 GLN CB . 17620 1
38 . 1 1 8 8 GLN CG C 13 34.813 0.1 . 1 . . . . 8 GLN CG . 17620 1
39 . 1 1 8 8 GLN N N 15 120.779 0.1 . 1 . . . . 8 GLN N . 17620 1
40 . 1 1 9 9 GLN H H 1 9.778 0.02 . 1 . . . . 9 GLN H . 17620 1
41 . 1 1 9 9 GLN HA H 1 4.509 0.02 . 1 . . . . 9 GLN HA . 17620 1
42 . 1 1 9 9 GLN HB2 H 1 1.835 0.02 . 2 . . . . 9 GLN HB . 17620 1
43 . 1 1 9 9 GLN HB3 H 1 1.835 0.02 . 2 . . . . 9 GLN HB . 17620 1
44 . 1 1 9 9 GLN HG2 H 1 2.332 0.02 . 2 . . . . 9 GLN HG . 17620 1
45 . 1 1 9 9 GLN HG3 H 1 2.332 0.02 . 2 . . . . 9 GLN HG . 17620 1
46 . 1 1 9 9 GLN C C 13 175.049 0.1 . 1 . . . . 9 GLN C . 17620 1
47 . 1 1 9 9 GLN CA C 13 55.471 0.1 . 1 . . . . 9 GLN CA . 17620 1
48 . 1 1 9 9 GLN CB C 13 32.895 0.1 . 1 . . . . 9 GLN CB . 17620 1
49 . 1 1 9 9 GLN CG C 13 33.554 0.1 . 1 . . . . 9 GLN CG . 17620 1
50 . 1 1 9 9 GLN N N 15 122.113 0.1 . 1 . . . . 9 GLN N . 17620 1
51 . 1 1 10 10 ALA H H 1 8.879 0.02 . 1 . . . . 10 ALA H . 17620 1
52 . 1 1 10 10 ALA HA H 1 4.257 0.02 . 1 . . . . 10 ALA HA . 17620 1
53 . 1 1 10 10 ALA HB1 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1
54 . 1 1 10 10 ALA HB2 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1
55 . 1 1 10 10 ALA HB3 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1
56 . 1 1 10 10 ALA CA C 13 51.261 0.1 . 1 . . . . 10 ALA CA . 17620 1
57 . 1 1 10 10 ALA CB C 13 16.401 0.1 . 1 . . . . 10 ALA CB . 17620 1
58 . 1 1 10 10 ALA N N 15 130.357 0.1 . 1 . . . . 10 ALA N . 17620 1
59 . 1 1 11 11 PRO HA H 1 4.978 0.02 . 1 . . . . 11 PRO HA . 17620 1
60 . 1 1 11 11 PRO HB2 H 1 1.203 0.02 . 2 . . . . 11 PRO HB2 . 17620 1
61 . 1 1 11 11 PRO HB3 H 1 1.441 0.02 . 2 . . . . 11 PRO HB3 . 17620 1
62 . 1 1 11 11 PRO HG2 H 1 1.295 0.02 . 2 . . . . 11 PRO HG2 . 17620 1
63 . 1 1 11 11 PRO HG3 H 1 1.742 0.02 . 2 . . . . 11 PRO HG3 . 17620 1
64 . 1 1 11 11 PRO HD2 H 1 3.695 0.02 . 2 . . . . 11 PRO HD2 . 17620 1
65 . 1 1 11 11 PRO HD3 H 1 2.818 0.02 . 2 . . . . 11 PRO HD3 . 17620 1
66 . 1 1 11 11 PRO CA C 13 62.222 0.1 . 1 . . . . 11 PRO CA . 17620 1
67 . 1 1 11 11 PRO CB C 13 32.486 0.1 . 1 . . . . 11 PRO CB . 17620 1
68 . 1 1 11 11 PRO CG C 13 28.479 0.1 . 1 . . . . 11 PRO CG . 17620 1
69 . 1 1 12 12 TYR H H 1 7.759 0.02 . 1 . . . . 12 TYR H . 17620 1
70 . 1 1 12 12 TYR HA H 1 4.267 0.02 . 1 . . . . 12 TYR HA . 17620 1
71 . 1 1 12 12 TYR HB2 H 1 2.661 0.02 . 2 . . . . 12 TYR HB . 17620 1
72 . 1 1 12 12 TYR HB3 H 1 2.661 0.02 . 2 . . . . 12 TYR HB . 17620 1
73 . 1 1 12 12 TYR HD1 H 1 6.824 0.02 . 3 . . . . 12 TYR HD . 17620 1
74 . 1 1 12 12 TYR HD2 H 1 6.824 0.02 . 3 . . . . 12 TYR HD . 17620 1
75 . 1 1 12 12 TYR HE1 H 1 6.337 0.02 . 3 . . . . 12 TYR HE . 17620 1
76 . 1 1 12 12 TYR HE2 H 1 6.337 0.02 . 3 . . . . 12 TYR HE . 17620 1
77 . 1 1 12 12 TYR C C 13 173.151 0.1 . 1 . . . . 12 TYR C . 17620 1
78 . 1 1 12 12 TYR CA C 13 54.792 0.1 . 1 . . . . 12 TYR CA . 17620 1
79 . 1 1 12 12 TYR CB C 13 40.330 0.1 . 1 . . . . 12 TYR CB . 17620 1
80 . 1 1 12 12 TYR CD1 C 13 134.548 0.1 . 3 . . . . 12 TYR CD1 . 17620 1
81 . 1 1 12 12 TYR CE1 C 13 117.099 0.1 . 3 . . . . 12 TYR CE1 . 17620 1
82 . 1 1 12 12 TYR N N 15 114.481 0.1 . 1 . . . . 12 TYR N . 17620 1
83 . 1 1 13 13 TRP H H 1 7.632 0.02 . 1 . . . . 13 TRP H . 17620 1
84 . 1 1 13 13 TRP HA H 1 5.242 0.02 . 1 . . . . 13 TRP HA . 17620 1
85 . 1 1 13 13 TRP HB2 H 1 3.404 0.02 . 2 . . . . 13 TRP HB2 . 17620 1
86 . 1 1 13 13 TRP HB3 H 1 2.906 0.02 . 2 . . . . 13 TRP HB3 . 17620 1
87 . 1 1 13 13 TRP C C 13 178.520 0.1 . 1 . . . . 13 TRP C . 17620 1
88 . 1 1 13 13 TRP CA C 13 54.453 0.1 . 1 . . . . 13 TRP CA . 17620 1
89 . 1 1 13 13 TRP CB C 13 30.135 0.1 . 1 . . . . 13 TRP CB . 17620 1
90 . 1 1 13 13 TRP N N 15 117.414 0.1 . 1 . . . . 13 TRP N . 17620 1
91 . 1 1 14 14 THR H H 1 7.758 0.02 . 1 . . . . 14 THR H . 17620 1
92 . 1 1 14 14 THR HA H 1 4.066 0.02 . 1 . . . . 14 THR HA . 17620 1
93 . 1 1 14 14 THR HB H 1 3.944 0.02 . 1 . . . . 14 THR HB . 17620 1
94 . 1 1 14 14 THR HG21 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1
95 . 1 1 14 14 THR HG22 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1
96 . 1 1 14 14 THR HG23 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1
97 . 1 1 14 14 THR C C 13 175.674 0.1 . 1 . . . . 14 THR C . 17620 1
98 . 1 1 14 14 THR CA C 13 62.939 0.1 . 1 . . . . 14 THR CA . 17620 1
99 . 1 1 14 14 THR CB C 13 68.432 0.1 . 1 . . . . 14 THR CB . 17620 1
100 . 1 1 14 14 THR CG2 C 13 22.758 0.1 . 1 . . . . 14 THR CG2 . 17620 1
101 . 1 1 14 14 THR N N 15 113.079 0.1 . 1 . . . . 14 THR N . 17620 1
102 . 1 1 15 15 HIS H H 1 8.546 0.02 . 1 . . . . 15 HIS H . 17620 1
103 . 1 1 15 15 HIS HA H 1 4.922 0.02 . 1 . . . . 15 HIS HA . 17620 1
104 . 1 1 15 15 HIS HB2 H 1 2.885 0.02 . 2 . . . . 15 HIS HB2 . 17620 1
105 . 1 1 15 15 HIS HB3 H 1 2.663 0.02 . 2 . . . . 15 HIS HB3 . 17620 1
106 . 1 1 15 15 HIS CA C 13 55.107 0.1 . 1 . . . . 15 HIS CA . 17620 1
107 . 1 1 15 15 HIS CB C 13 31.126 0.1 . 1 . . . . 15 HIS CB . 17620 1
108 . 1 1 15 15 HIS N N 15 119.423 0.1 . 1 . . . . 15 HIS N . 17620 1
109 . 1 1 16 16 PRO HA H 1 3.935 0.02 . 1 . . . . 16 PRO HA . 17620 1
110 . 1 1 16 16 PRO HB2 H 1 1.989 0.02 . 2 . . . . 16 PRO HB . 17620 1
111 . 1 1 16 16 PRO HB3 H 1 1.989 0.02 . 2 . . . . 16 PRO HB . 17620 1
112 . 1 1 16 16 PRO HG2 H 1 2.212 0.02 . 2 . . . . 16 PRO HG . 17620 1
113 . 1 1 16 16 PRO HG3 H 1 2.212 0.02 . 2 . . . . 16 PRO HG . 17620 1
114 . 1 1 16 16 PRO CA C 13 65.668 0.1 . 1 . . . . 16 PRO CA . 17620 1
115 . 1 1 16 16 PRO CB C 13 30.827 0.1 . 1 . . . . 16 PRO CB . 17620 1
116 . 1 1 16 16 PRO CG C 13 27.764 0.1 . 1 . . . . 16 PRO CG . 17620 1
117 . 1 1 16 16 PRO CD C 13 49.869 0.1 . 1 . . . . 16 PRO CD . 17620 1
118 . 1 1 17 17 GLN H H 1 9.098 0.02 . 1 . . . . 17 GLN H . 17620 1
119 . 1 1 17 17 GLN HA H 1 4.207 0.02 . 1 . . . . 17 GLN HA . 17620 1
120 . 1 1 17 17 GLN HB2 H 1 2.085 0.02 . 2 . . . . 17 GLN HB . 17620 1
121 . 1 1 17 17 GLN HB3 H 1 2.085 0.02 . 2 . . . . 17 GLN HB . 17620 1
122 . 1 1 17 17 GLN HG2 H 1 2.383 0.02 . 2 . . . . 17 GLN HG2 . 17620 1
123 . 1 1 17 17 GLN HG3 H 1 2.548 0.02 . 2 . . . . 17 GLN HG3 . 17620 1
124 . 1 1 17 17 GLN C C 13 178.520 0.1 . 1 . . . . 17 GLN C . 17620 1
125 . 1 1 17 17 GLN CA C 13 58.971 0.1 . 1 . . . . 17 GLN CA . 17620 1
126 . 1 1 17 17 GLN CB C 13 27.267 0.1 . 1 . . . . 17 GLN CB . 17620 1
127 . 1 1 17 17 GLN CG C 13 33.991 0.1 . 1 . . . . 17 GLN CG . 17620 1
128 . 1 1 17 17 GLN N N 15 118.383 0.1 . 1 . . . . 17 GLN N . 17620 1
129 . 1 1 18 18 ARG H H 1 7.688 0.02 . 1 . . . . 18 ARG H . 17620 1
130 . 1 1 18 18 ARG HA H 1 4.317 0.02 . 1 . . . . 18 ARG HA . 17620 1
131 . 1 1 18 18 ARG HB2 H 1 1.713 0.02 . 2 . . . . 18 ARG HB . 17620 1
132 . 1 1 18 18 ARG HB3 H 1 1.713 0.02 . 2 . . . . 18 ARG HB . 17620 1
133 . 1 1 18 18 ARG C C 13 176.275 0.1 . 1 . . . . 18 ARG C . 17620 1
134 . 1 1 18 18 ARG CA C 13 56.806 0.1 . 1 . . . . 18 ARG CA . 17620 1
135 . 1 1 18 18 ARG CB C 13 29.916 0.1 . 1 . . . . 18 ARG CB . 17620 1
136 . 1 1 18 18 ARG N N 15 116.323 0.1 . 1 . . . . 18 ARG N . 17620 1
137 . 1 1 19 19 MET H H 1 8.236 0.02 . 1 . . . . 19 MET H . 17620 1
138 . 1 1 19 19 MET HA H 1 4.093 0.02 . 1 . . . . 19 MET HA . 17620 1
139 . 1 1 19 19 MET C C 13 175.419 0.1 . 1 . . . . 19 MET C . 17620 1
140 . 1 1 19 19 MET CA C 13 53.682 0.1 . 1 . . . . 19 MET CA . 17620 1
141 . 1 1 19 19 MET CB C 13 30.914 0.1 . 1 . . . . 19 MET CB . 17620 1
142 . 1 1 19 19 MET N N 15 119.633 0.1 . 1 . . . . 19 MET N . 17620 1
143 . 1 1 20 20 GLU H H 1 7.786 0.02 . 1 . . . . 20 GLU H . 17620 1
144 . 1 1 20 20 GLU HA H 1 4.676 0.02 . 1 . . . . 20 GLU HA . 17620 1
145 . 1 1 20 20 GLU CA C 13 57.777 0.1 . 1 . . . . 20 GLU CA . 17620 1
146 . 1 1 20 20 GLU N N 15 120.107 0.1 . 1 . . . . 20 GLU N . 17620 1
147 . 1 1 22 22 LYS H H 1 8.111 0.02 . 1 . . . . 22 LYS H . 17620 1
148 . 1 1 22 22 LYS HA H 1 4.583 0.02 . 1 . . . . 22 LYS HA . 17620 1
149 . 1 1 22 22 LYS HB2 H 1 1.773 0.02 . 2 . . . . 22 LYS HB . 17620 1
150 . 1 1 22 22 LYS HB3 H 1 1.773 0.02 . 2 . . . . 22 LYS HB . 17620 1
151 . 1 1 22 22 LYS C C 13 176.160 0.1 . 1 . . . . 22 LYS C . 17620 1
152 . 1 1 22 22 LYS CA C 13 58.262 0.1 . 1 . . . . 22 LYS CA . 17620 1
153 . 1 1 22 22 LYS CB C 13 33.775 0.1 . 1 . . . . 22 LYS CB . 17620 1
154 . 1 1 22 22 LYS CG C 13 24.733 0.1 . 1 . . . . 22 LYS CG . 17620 1
155 . 1 1 22 22 LYS N N 15 126.002 0.1 . 1 . . . . 22 LYS N . 17620 1
156 . 1 1 23 23 LEU H H 1 7.930 0.02 . 1 . . . . 23 LEU H . 17620 1
157 . 1 1 23 23 LEU HA H 1 4.952 0.02 . 1 . . . . 23 LEU HA . 17620 1
158 . 1 1 23 23 LEU HB2 H 1 1.556 0.02 . 2 . . . . 23 LEU HB . 17620 1
159 . 1 1 23 23 LEU HB3 H 1 1.556 0.02 . 2 . . . . 23 LEU HB . 17620 1
160 . 1 1 23 23 LEU HG H 1 1.743 0.02 . 1 . . . . 23 LEU HG . 17620 1
161 . 1 1 23 23 LEU HD11 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
162 . 1 1 23 23 LEU HD12 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
163 . 1 1 23 23 LEU HD13 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
164 . 1 1 23 23 LEU HD21 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
165 . 1 1 23 23 LEU HD22 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
166 . 1 1 23 23 LEU HD23 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1
167 . 1 1 23 23 LEU C C 13 175.905 0.1 . 1 . . . . 23 LEU C . 17620 1
168 . 1 1 23 23 LEU CA C 13 55.049 0.1 . 1 . . . . 23 LEU CA . 17620 1
169 . 1 1 23 23 LEU CB C 13 42.958 0.1 . 1 . . . . 23 LEU CB . 17620 1
170 . 1 1 23 23 LEU CG C 13 28.070 0.1 . 1 . . . . 23 LEU CG . 17620 1
171 . 1 1 23 23 LEU CD1 C 13 24.869 0.1 . 2 . . . . 23 LEU CD1 . 17620 1
172 . 1 1 23 23 LEU CD2 C 13 25.210 0.1 . 2 . . . . 23 LEU CD2 . 17620 1
173 . 1 1 23 23 LEU N N 15 121.595 0.1 . 1 . . . . 23 LEU N . 17620 1
174 . 1 1 24 24 HIS H H 1 9.250 0.02 . 1 . . . . 24 HIS H . 17620 1
175 . 1 1 24 24 HIS HA H 1 4.460 0.02 . 1 . . . . 24 HIS HA . 17620 1
176 . 1 1 24 24 HIS HB2 H 1 3.294 0.02 . 2 . . . . 24 HIS HB2 . 17620 1
177 . 1 1 24 24 HIS HB3 H 1 2.796 0.02 . 2 . . . . 24 HIS HB3 . 17620 1
178 . 1 1 24 24 HIS C C 13 172.989 0.1 . 1 . . . . 24 HIS C . 17620 1
179 . 1 1 24 24 HIS CA C 13 55.805 0.1 . 1 . . . . 24 HIS CA . 17620 1
180 . 1 1 24 24 HIS CB C 13 32.330 0.1 . 1 . . . . 24 HIS CB . 17620 1
181 . 1 1 24 24 HIS N N 15 126.521 0.1 . 1 . . . . 24 HIS N . 17620 1
182 . 1 1 25 25 ALA H H 1 8.563 0.02 . 1 . . . . 25 ALA H . 17620 1
183 . 1 1 25 25 ALA HA H 1 5.297 0.02 . 1 . . . . 25 ALA HA . 17620 1
184 . 1 1 25 25 ALA HB1 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1
185 . 1 1 25 25 ALA HB2 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1
186 . 1 1 25 25 ALA HB3 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1
187 . 1 1 25 25 ALA C C 13 176.622 0.1 . 1 . . . . 25 ALA C . 17620 1
188 . 1 1 25 25 ALA CA C 13 50.829 0.1 . 1 . . . . 25 ALA CA . 17620 1
189 . 1 1 25 25 ALA CB C 13 18.955 0.1 . 1 . . . . 25 ALA CB . 17620 1
190 . 1 1 25 25 ALA N N 15 129.410 0.1 . 1 . . . . 25 ALA N . 17620 1
191 . 1 1 26 26 VAL H H 1 8.274 0.02 . 1 . . . . 26 VAL H . 17620 1
192 . 1 1 26 26 VAL HA H 1 4.759 0.02 . 1 . . . . 26 VAL HA . 17620 1
193 . 1 1 26 26 VAL HB H 1 1.848 0.02 . 1 . . . . 26 VAL HB . 17620 1
194 . 1 1 26 26 VAL HG11 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1
195 . 1 1 26 26 VAL HG12 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1
196 . 1 1 26 26 VAL HG13 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1
197 . 1 1 26 26 VAL HG21 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1
198 . 1 1 26 26 VAL HG22 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1
199 . 1 1 26 26 VAL HG23 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1
200 . 1 1 26 26 VAL CA C 13 58.188 0.1 . 1 . . . . 26 VAL CA . 17620 1
201 . 1 1 26 26 VAL CB C 13 35.233 0.1 . 1 . . . . 26 VAL CB . 17620 1
202 . 1 1 26 26 VAL CG1 C 13 21.467 0.1 . 2 . . . . 26 VAL CG1 . 17620 1
203 . 1 1 26 26 VAL CG2 C 13 20.296 0.1 . 2 . . . . 26 VAL CG2 . 17620 1
204 . 1 1 26 26 VAL N N 15 120.713 0.1 . 1 . . . . 26 VAL N . 17620 1
205 . 1 1 27 27 PRO HA H 1 4.527 0.02 . 1 . . . . 27 PRO HA . 17620 1
206 . 1 1 27 27 PRO HB2 H 1 2.193 0.02 . 2 . . . . 27 PRO HB2 . 17620 1
207 . 1 1 27 27 PRO HB3 H 1 1.672 0.02 . 2 . . . . 27 PRO HB3 . 17620 1
208 . 1 1 27 27 PRO HG2 H 1 1.792 0.02 . 2 . . . . 27 PRO HG2 . 17620 1
209 . 1 1 27 27 PRO HG3 H 1 1.981 0.02 . 2 . . . . 27 PRO HG3 . 17620 1
210 . 1 1 27 27 PRO HD2 H 1 3.030 0.02 . 2 . . . . 27 PRO HD2 . 17620 1
211 . 1 1 27 27 PRO HD3 H 1 3.105 0.02 . 2 . . . . 27 PRO HD3 . 17620 1
212 . 1 1 27 27 PRO CA C 13 62.705 0.1 . 1 . . . . 27 PRO CA . 17620 1
213 . 1 1 27 27 PRO CB C 13 31.834 0.1 . 1 . . . . 27 PRO CB . 17620 1
214 . 1 1 27 27 PRO CG C 13 27.750 0.1 . 1 . . . . 27 PRO CG . 17620 1
215 . 1 1 28 28 ALA H H 1 8.128 0.02 . 1 . . . . 28 ALA H . 17620 1
216 . 1 1 28 28 ALA HA H 1 3.813 0.02 . 1 . . . . 28 ALA HA . 17620 1
217 . 1 1 28 28 ALA HB1 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1
218 . 1 1 28 28 ALA HB2 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1
219 . 1 1 28 28 ALA HB3 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1
220 . 1 1 28 28 ALA C C 13 178.543 0.1 . 1 . . . . 28 ALA C . 17620 1
221 . 1 1 28 28 ALA CA C 13 53.530 0.1 . 1 . . . . 28 ALA CA . 17620 1
222 . 1 1 28 28 ALA CB C 13 17.605 0.1 . 1 . . . . 28 ALA CB . 17620 1
223 . 1 1 28 28 ALA N N 15 123.786 0.1 . 1 . . . . 28 ALA N . 17620 1
224 . 1 1 29 29 GLY H H 1 9.649 0.02 . 1 . . . . 29 GLY H . 17620 1
225 . 1 1 29 29 GLY HA2 H 1 4.426 0.02 . 2 . . . . 29 GLY HA2 . 17620 1
226 . 1 1 29 29 GLY HA3 H 1 3.517 0.02 . 2 . . . . 29 GLY HA3 . 17620 1
227 . 1 1 29 29 GLY C C 13 175.188 0.1 . 1 . . . . 29 GLY C . 17620 1
228 . 1 1 29 29 GLY CA C 13 44.964 0.1 . 1 . . . . 29 GLY CA . 17620 1
229 . 1 1 29 29 GLY N N 15 111.166 0.1 . 1 . . . . 29 GLY N . 17620 1
230 . 1 1 30 30 ASN H H 1 7.579 0.02 . 1 . . . . 30 ASN H . 17620 1
231 . 1 1 30 30 ASN HA H 1 4.694 0.02 . 1 . . . . 30 ASN HA . 17620 1
232 . 1 1 30 30 ASN HB2 H 1 2.797 0.02 . 2 . . . . 30 ASN HB2 . 17620 1
233 . 1 1 30 30 ASN HB3 H 1 2.577 0.02 . 2 . . . . 30 ASN HB3 . 17620 1
234 . 1 1 30 30 ASN C C 13 174.007 0.1 . 1 . . . . 30 ASN C . 17620 1
235 . 1 1 30 30 ASN CA C 13 53.226 0.1 . 1 . . . . 30 ASN CA . 17620 1
236 . 1 1 30 30 ASN CB C 13 39.622 0.1 . 1 . . . . 30 ASN CB . 17620 1
237 . 1 1 30 30 ASN N N 15 121.202 0.1 . 1 . . . . 30 ASN N . 17620 1
238 . 1 1 31 31 THR H H 1 8.535 0.02 . 1 . . . . 31 THR H . 17620 1
239 . 1 1 31 31 THR HA H 1 4.954 0.02 . 1 . . . . 31 THR HA . 17620 1
240 . 1 1 31 31 THR HB H 1 3.827 0.02 . 1 . . . . 31 THR HB . 17620 1
241 . 1 1 31 31 THR HG21 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1
242 . 1 1 31 31 THR HG22 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1
243 . 1 1 31 31 THR HG23 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1
244 . 1 1 31 31 THR C C 13 174.054 0.1 . 1 . . . . 31 THR C . 17620 1
245 . 1 1 31 31 THR CA C 13 62.097 0.1 . 1 . . . . 31 THR CA . 17620 1
246 . 1 1 31 31 THR CB C 13 70.912 0.1 . 1 . . . . 31 THR CB . 17620 1
247 . 1 1 31 31 THR CG2 C 13 22.485 0.1 . 1 . . . . 31 THR CG2 . 17620 1
248 . 1 1 31 31 THR N N 15 115.980 0.1 . 1 . . . . 31 THR N . 17620 1
249 . 1 1 32 32 VAL H H 1 8.478 0.02 . 1 . . . . 32 VAL H . 17620 1
250 . 1 1 32 32 VAL HA H 1 4.142 0.02 . 1 . . . . 32 VAL HA . 17620 1
251 . 1 1 32 32 VAL HB H 1 1.267 0.02 . 1 . . . . 32 VAL HB . 17620 1
252 . 1 1 32 32 VAL HG11 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1
253 . 1 1 32 32 VAL HG12 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1
254 . 1 1 32 32 VAL HG13 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1
255 . 1 1 32 32 VAL HG21 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1
256 . 1 1 32 32 VAL HG22 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1
257 . 1 1 32 32 VAL HG23 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1
258 . 1 1 32 32 VAL C C 13 171.461 0.1 . 1 . . . . 32 VAL C . 17620 1
259 . 1 1 32 32 VAL CA C 13 60.235 0.1 . 1 . . . . 32 VAL CA . 17620 1
260 . 1 1 32 32 VAL CB C 13 35.305 0.1 . 1 . . . . 32 VAL CB . 17620 1
261 . 1 1 32 32 VAL CG1 C 13 22.420 0.1 . 2 . . . . 32 VAL CG1 . 17620 1
262 . 1 1 32 32 VAL CG2 C 13 20.953 0.1 . 2 . . . . 32 VAL CG2 . 17620 1
263 . 1 1 32 32 VAL N N 15 125.447 0.1 . 1 . . . . 32 VAL N . 17620 1
264 . 1 1 33 33 LYS H H 1 7.593 0.02 . 1 . . . . 33 LYS H . 17620 1
265 . 1 1 33 33 LYS HA H 1 4.719 0.02 . 1 . . . . 33 LYS HA . 17620 1
266 . 1 1 33 33 LYS HB2 H 1 1.293 0.02 . 2 . . . . 33 LYS HB . 17620 1
267 . 1 1 33 33 LYS HB3 H 1 1.293 0.02 . 2 . . . . 33 LYS HB . 17620 1
268 . 1 1 33 33 LYS HG2 H 1 0.947 0.02 . 2 . . . . 33 LYS HG . 17620 1
269 . 1 1 33 33 LYS HG3 H 1 0.947 0.02 . 2 . . . . 33 LYS HG . 17620 1
270 . 1 1 33 33 LYS C C 13 174.470 0.1 . 1 . . . . 33 LYS C . 17620 1
271 . 1 1 33 33 LYS CA C 13 54.106 0.1 . 1 . . . . 33 LYS CA . 17620 1
272 . 1 1 33 33 LYS CB C 13 34.947 0.1 . 1 . . . . 33 LYS CB . 17620 1
273 . 1 1 33 33 LYS CG C 13 29.841 0.1 . 1 . . . . 33 LYS CG . 17620 1
274 . 1 1 33 33 LYS N N 15 124.067 0.1 . 1 . . . . 33 LYS N . 17620 1
275 . 1 1 34 34 PHE H H 1 8.561 0.02 . 1 . . . . 34 PHE H . 17620 1
276 . 1 1 34 34 PHE HA H 1 4.546 0.02 . 1 . . . . 34 PHE HA . 17620 1
277 . 1 1 34 34 PHE HB2 H 1 2.747 0.02 . 2 . . . . 34 PHE HB2 . 17620 1
278 . 1 1 34 34 PHE HB3 H 1 2.291 0.02 . 2 . . . . 34 PHE HB3 . 17620 1
279 . 1 1 34 34 PHE C C 13 175.650 0.1 . 1 . . . . 34 PHE C . 17620 1
280 . 1 1 34 34 PHE CA C 13 54.015 0.1 . 1 . . . . 34 PHE CA . 17620 1
281 . 1 1 34 34 PHE CB C 13 42.561 0.1 . 1 . . . . 34 PHE CB . 17620 1
282 . 1 1 34 34 PHE N N 15 123.520 0.1 . 1 . . . . 34 PHE N . 17620 1
283 . 1 1 35 35 ARG H H 1 8.311 0.02 . 1 . . . . 35 ARG H . 17620 1
284 . 1 1 35 35 ARG HA H 1 5.335 0.02 . 1 . . . . 35 ARG HA . 17620 1
285 . 1 1 35 35 ARG HB2 H 1 1.626 0.02 . 2 . . . . 35 ARG HB . 17620 1
286 . 1 1 35 35 ARG HB3 H 1 1.626 0.02 . 2 . . . . 35 ARG HB . 17620 1
287 . 1 1 35 35 ARG C C 13 176.206 0.1 . 1 . . . . 35 ARG C . 17620 1
288 . 1 1 35 35 ARG CA C 13 55.229 0.1 . 1 . . . . 35 ARG CA . 17620 1
289 . 1 1 35 35 ARG CB C 13 33.888 0.1 . 1 . . . . 35 ARG CB . 17620 1
290 . 1 1 35 35 ARG CG C 13 40.939 0.1 . 1 . . . . 35 ARG CG . 17620 1
291 . 1 1 35 35 ARG N N 15 118.171 0.1 . 1 . . . . 35 ARG N . 17620 1
292 . 1 1 36 36 CYS H H 1 9.215 0.02 . 1 . . . . 36 CYS H . 17620 1
293 . 1 1 36 36 CYS HA H 1 4.577 0.02 . 1 . . . . 36 CYS HA . 17620 1
294 . 1 1 36 36 CYS HB2 H 1 3.441 0.02 . 2 . . . . 36 CYS HB . 17620 1
295 . 1 1 36 36 CYS HB3 H 1 3.441 0.02 . 2 . . . . 36 CYS HB . 17620 1
296 . 1 1 36 36 CYS CA C 13 53.651 0.1 . 1 . . . . 36 CYS CA . 17620 1
297 . 1 1 36 36 CYS CB C 13 47.327 0.1 . 1 . . . . 36 CYS CB . 17620 1
298 . 1 1 36 36 CYS N N 15 121.927 0.1 . 1 . . . . 36 CYS N . 17620 1
299 . 1 1 38 38 ALA HA H 1 5.003 0.02 . 1 . . . . 38 ALA HA . 17620 1
300 . 1 1 38 38 ALA HB1 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1
301 . 1 1 38 38 ALA HB2 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1
302 . 1 1 38 38 ALA HB3 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1
303 . 1 1 38 38 ALA CA C 13 50.435 0.1 . 1 . . . . 38 ALA CA . 17620 1
304 . 1 1 38 38 ALA CB C 13 24.666 0.1 . 1 . . . . 38 ALA CB . 17620 1
305 . 1 1 39 39 ALA H H 1 7.358 0.02 . 1 . . . . 39 ALA H . 17620 1
306 . 1 1 39 39 ALA HA H 1 4.183 0.02 . 1 . . . . 39 ALA HA . 17620 1
307 . 1 1 39 39 ALA HB1 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1
308 . 1 1 39 39 ALA HB2 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1
309 . 1 1 39 39 ALA HB3 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1
310 . 1 1 39 39 ALA C C 13 174.007 0.1 . 1 . . . . 39 ALA C . 17620 1
311 . 1 1 39 39 ALA CA C 13 50.580 0.1 . 1 . . . . 39 ALA CA . 17620 1
312 . 1 1 39 39 ALA CB C 13 22.136 0.1 . 1 . . . . 39 ALA CB . 17620 1
313 . 1 1 39 39 ALA N N 15 118.096 0.1 . 1 . . . . 39 ALA N . 17620 1
314 . 1 1 40 40 GLY H H 1 7.684 0.02 . 1 . . . . 40 GLY H . 17620 1
315 . 1 1 40 40 GLY HA2 H 1 3.474 0.02 . 2 . . . . 40 GLY HA . 17620 1
316 . 1 1 40 40 GLY HA3 H 1 3.474 0.02 . 2 . . . . 40 GLY HA . 17620 1
317 . 1 1 40 40 GLY C C 13 170.397 0.1 . 1 . . . . 40 GLY C . 17620 1
318 . 1 1 40 40 GLY CA C 13 44.974 0.1 . 1 . . . . 40 GLY CA . 17620 1
319 . 1 1 40 40 GLY N N 15 101.360 0.1 . 1 . . . . 40 GLY N . 17620 1
320 . 1 1 41 41 ASN H H 1 8.134 0.02 . 1 . . . . 41 ASN H . 17620 1
321 . 1 1 41 41 ASN HA H 1 4.908 0.02 . 1 . . . . 41 ASN HA . 17620 1
322 . 1 1 41 41 ASN HB2 H 1 2.861 0.02 . 2 . . . . 41 ASN HB2 . 17620 1
323 . 1 1 41 41 ASN HB3 H 1 2.697 0.02 . 2 . . . . 41 ASN HB3 . 17620 1
324 . 1 1 41 41 ASN CA C 13 50.910 0.1 . 1 . . . . 41 ASN CA . 17620 1
325 . 1 1 41 41 ASN CB C 13 41.250 0.1 . 1 . . . . 41 ASN CB . 17620 1
326 . 1 1 41 41 ASN N N 15 115.113 0.1 . 1 . . . . 41 ASN N . 17620 1
327 . 1 1 42 42 PRO HA H 1 4.883 0.02 . 1 . . . . 42 PRO HA . 17620 1
328 . 1 1 42 42 PRO HB2 H 1 2.587 0.02 . 2 . . . . 42 PRO HB2 . 17620 1
329 . 1 1 42 42 PRO HB3 H 1 2.050 0.02 . 2 . . . . 42 PRO HB3 . 17620 1
330 . 1 1 42 42 PRO HG2 H 1 1.874 0.02 . 2 . . . . 42 PRO HG2 . 17620 1
331 . 1 1 42 42 PRO HG3 H 1 1.991 0.02 . 2 . . . . 42 PRO HG3 . 17620 1
332 . 1 1 42 42 PRO HD2 H 1 3.822 0.02 . 2 . . . . 42 PRO HD . 17620 1
333 . 1 1 42 42 PRO HD3 H 1 3.822 0.02 . 2 . . . . 42 PRO HD . 17620 1
334 . 1 1 42 42 PRO CA C 13 63.083 0.1 . 1 . . . . 42 PRO CA . 17620 1
335 . 1 1 42 42 PRO CB C 13 34.748 0.1 . 1 . . . . 42 PRO CB . 17620 1
336 . 1 1 42 42 PRO CG C 13 26.432 0.1 . 1 . . . . 42 PRO CG . 17620 1
337 . 1 1 42 42 PRO CD C 13 50.408 0.1 . 1 . . . . 42 PRO CD . 17620 1
338 . 1 1 43 43 THR H H 1 8.793 0.02 . 1 . . . . 43 THR H . 17620 1
339 . 1 1 43 43 THR HA H 1 4.663 0.02 . 1 . . . . 43 THR HA . 17620 1
340 . 1 1 43 43 THR HB H 1 4.046 0.02 . 1 . . . . 43 THR HB . 17620 1
341 . 1 1 43 43 THR CA C 13 62.722 0.1 . 1 . . . . 43 THR CA . 17620 1
342 . 1 1 43 43 THR CB C 13 69.992 0.1 . 1 . . . . 43 THR CB . 17620 1
343 . 1 1 43 43 THR N N 15 120.281 0.1 . 1 . . . . 43 THR N . 17620 1
344 . 1 1 44 44 PRO HA H 1 4.719 0.02 . 1 . . . . 44 PRO HA . 17620 1
345 . 1 1 44 44 PRO CA C 13 62.601 0.1 . 1 . . . . 44 PRO CA . 17620 1
346 . 1 1 44 44 PRO CB C 13 34.020 0.1 . 1 . . . . 44 PRO CB . 17620 1
347 . 1 1 45 45 THR H H 1 8.804 0.02 . 1 . . . . 45 THR H . 17620 1
348 . 1 1 45 45 THR HA H 1 4.600 0.02 . 1 . . . . 45 THR HA . 17620 1
349 . 1 1 45 45 THR HB H 1 4.344 0.02 . 1 . . . . 45 THR HB . 17620 1
350 . 1 1 45 45 THR HG21 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1
351 . 1 1 45 45 THR HG22 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1
352 . 1 1 45 45 THR HG23 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1
353 . 1 1 45 45 THR C C 13 173.683 0.1 . 1 . . . . 45 THR C . 17620 1
354 . 1 1 45 45 THR CA C 13 60.416 0.1 . 1 . . . . 45 THR CA . 17620 1
355 . 1 1 45 45 THR CB C 13 71.729 0.1 . 1 . . . . 45 THR CB . 17620 1
356 . 1 1 45 45 THR CG2 C 13 21.727 0.1 . 1 . . . . 45 THR CG2 . 17620 1
357 . 1 1 45 45 THR N N 15 108.671 0.1 . 1 . . . . 45 THR N . 17620 1
358 . 1 1 46 46 ILE H H 1 8.335 0.02 . 1 . . . . 46 ILE H . 17620 1
359 . 1 1 46 46 ILE HA H 1 4.406 0.02 . 1 . . . . 46 ILE HA . 17620 1
360 . 1 1 46 46 ILE HG21 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1
361 . 1 1 46 46 ILE HG22 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1
362 . 1 1 46 46 ILE HG23 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1
363 . 1 1 46 46 ILE HD11 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1
364 . 1 1 46 46 ILE HD12 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1
365 . 1 1 46 46 ILE HD13 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1
366 . 1 1 46 46 ILE C C 13 173.105 0.1 . 1 . . . . 46 ILE C . 17620 1
367 . 1 1 46 46 ILE CA C 13 59.112 0.1 . 1 . . . . 46 ILE CA . 17620 1
368 . 1 1 46 46 ILE CB C 13 41.965 0.1 . 1 . . . . 46 ILE CB . 17620 1
369 . 1 1 46 46 ILE CG1 C 13 24.801 0.1 . 1 . . . . 46 ILE CG1 . 17620 1
370 . 1 1 46 46 ILE CG2 C 13 22.077 0.1 . 1 . . . . 46 ILE CG2 . 17620 1
371 . 1 1 46 46 ILE CD1 C 13 15.265 0.1 . 1 . . . . 46 ILE CD1 . 17620 1
372 . 1 1 46 46 ILE N N 15 116.894 0.1 . 1 . . . . 46 ILE N . 17620 1
373 . 1 1 47 47 ARG H H 1 8.411 0.02 . 1 . . . . 47 ARG H . 17620 1
374 . 1 1 47 47 ARG HA H 1 4.759 0.02 . 1 . . . . 47 ARG HA . 17620 1
375 . 1 1 47 47 ARG HB2 H 1 1.847 0.02 . 2 . . . . 47 ARG HB2 . 17620 1
376 . 1 1 47 47 ARG HB3 H 1 1.847 0.02 . 2 . . . . 47 ARG HB3 . 17620 1
377 . 1 1 47 47 ARG HG2 H 1 1.597 0.02 . 2 . . . . 47 ARG HG2 . 17620 1
378 . 1 1 47 47 ARG HG3 H 1 1.669 0.02 . 2 . . . . 47 ARG HG3 . 17620 1
379 . 1 1 47 47 ARG HD2 H 1 3.077 0.02 . 2 . . . . 47 ARG HD2 . 17620 1
380 . 1 1 47 47 ARG HD3 H 1 3.192 0.02 . 2 . . . . 47 ARG HD3 . 17620 1
381 . 1 1 47 47 ARG CA C 13 54.402 0.1 . 1 . . . . 47 ARG CA . 17620 1
382 . 1 1 47 47 ARG CB C 13 33.324 0.1 . 1 . . . . 47 ARG CB . 17620 1
383 . 1 1 47 47 ARG CG C 13 26.992 0.1 . 1 . . . . 47 ARG CG . 17620 1
384 . 1 1 47 47 ARG CD C 13 43.811 0.1 . 1 . . . . 47 ARG CD . 17620 1
385 . 1 1 47 47 ARG N N 15 125.353 0.1 . 1 . . . . 47 ARG N . 17620 1
386 . 1 1 48 48 TRP H H 1 8.950 0.02 . 1 . . . . 48 TRP H . 17620 1
387 . 1 1 48 48 TRP HA H 1 5.709 0.02 . 1 . . . . 48 TRP HA . 17620 1
388 . 1 1 48 48 TRP HB2 H 1 3.183 0.02 . 2 . . . . 48 TRP HB . 17620 1
389 . 1 1 48 48 TRP HB3 H 1 3.183 0.02 . 2 . . . . 48 TRP HB . 17620 1
390 . 1 1 48 48 TRP C C 13 176.252 0.1 . 1 . . . . 48 TRP C . 17620 1
391 . 1 1 48 48 TRP CA C 13 56.635 0.1 . 1 . . . . 48 TRP CA . 17620 1
392 . 1 1 48 48 TRP CB C 13 31.769 0.1 . 1 . . . . 48 TRP CB . 17620 1
393 . 1 1 48 48 TRP N N 15 118.967 0.1 . 1 . . . . 48 TRP N . 17620 1
394 . 1 1 49 49 LEU H H 1 9.636 0.02 . 1 . . . . 49 LEU H . 17620 1
395 . 1 1 49 49 LEU HA H 1 5.126 0.02 . 1 . . . . 49 LEU HA . 17620 1
396 . 1 1 49 49 LEU HB2 H 1 1.554 0.02 . 2 . . . . 49 LEU HB2 . 17620 1
397 . 1 1 49 49 LEU HB3 H 1 1.101 0.02 . 2 . . . . 49 LEU HB3 . 17620 1
398 . 1 1 49 49 LEU HG H 1 1.394 0.02 . 1 . . . . 49 LEU HG . 17620 1
399 . 1 1 49 49 LEU HD11 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1
400 . 1 1 49 49 LEU HD12 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1
401 . 1 1 49 49 LEU HD13 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1
402 . 1 1 49 49 LEU HD21 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1
403 . 1 1 49 49 LEU HD22 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1
404 . 1 1 49 49 LEU HD23 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1
405 . 1 1 49 49 LEU C C 13 175.998 0.1 . 1 . . . . 49 LEU C . 17620 1
406 . 1 1 49 49 LEU CA C 13 53.299 0.1 . 1 . . . . 49 LEU CA . 17620 1
407 . 1 1 49 49 LEU CB C 13 45.073 0.1 . 1 . . . . 49 LEU CB . 17620 1
408 . 1 1 49 49 LEU CG C 13 27.727 0.1 . 1 . . . . 49 LEU CG . 17620 1
409 . 1 1 49 49 LEU CD1 C 13 25.285 0.1 . 2 . . . . 49 LEU CD1 . 17620 1
410 . 1 1 49 49 LEU CD2 C 13 23.049 0.1 . 2 . . . . 49 LEU CD2 . 17620 1
411 . 1 1 49 49 LEU N N 15 121.537 0.1 . 1 . . . . 49 LEU N . 17620 1
412 . 1 1 50 50 LYS H H 1 8.972 0.02 . 1 . . . . 50 LYS H . 17620 1
413 . 1 1 50 50 LYS HA H 1 4.590 0.02 . 1 . . . . 50 LYS HA . 17620 1
414 . 1 1 50 50 LYS HB2 H 1 1.375 0.02 . 2 . . . . 50 LYS HB2 . 17620 1
415 . 1 1 50 50 LYS HB3 H 1 0.647 0.02 . 2 . . . . 50 LYS HB3 . 17620 1
416 . 1 1 50 50 LYS C C 13 177.155 0.1 . 1 . . . . 50 LYS C . 17620 1
417 . 1 1 50 50 LYS CA C 13 54.743 0.1 . 1 . . . . 50 LYS CA . 17620 1
418 . 1 1 50 50 LYS CB C 13 35.278 0.1 . 1 . . . . 50 LYS CB . 17620 1
419 . 1 1 50 50 LYS CG C 13 29.531 0.1 . 1 . . . . 50 LYS CG . 17620 1
420 . 1 1 50 50 LYS N N 15 120.330 0.1 . 1 . . . . 50 LYS N . 17620 1
421 . 1 1 51 51 ASP H H 1 9.796 0.02 . 1 . . . . 51 ASP H . 17620 1
422 . 1 1 51 51 ASP HA H 1 4.139 0.02 . 1 . . . . 51 ASP HA . 17620 1
423 . 1 1 51 51 ASP HB2 H 1 2.722 0.02 . 2 . . . . 51 ASP HB2 . 17620 1
424 . 1 1 51 51 ASP HB3 H 1 2.599 0.02 . 2 . . . . 51 ASP HB3 . 17620 1
425 . 1 1 51 51 ASP C C 13 176.576 0.1 . 1 . . . . 51 ASP C . 17620 1
426 . 1 1 51 51 ASP CA C 13 55.957 0.1 . 1 . . . . 51 ASP CA . 17620 1
427 . 1 1 51 51 ASP CB C 13 39.976 0.1 . 1 . . . . 51 ASP CB . 17620 1
428 . 1 1 51 51 ASP N N 15 130.067 0.1 . 1 . . . . 51 ASP N . 17620 1
429 . 1 1 52 52 GLY H H 1 8.434 0.02 . 1 . . . . 52 GLY H . 17620 1
430 . 1 1 52 52 GLY HA2 H 1 4.120 0.02 . 2 . . . . 52 GLY HA2 . 17620 1
431 . 1 1 52 52 GLY HA3 H 1 3.425 0.02 . 2 . . . . 52 GLY HA3 . 17620 1
432 . 1 1 52 52 GLY C C 13 173.753 0.1 . 1 . . . . 52 GLY C . 17620 1
433 . 1 1 52 52 GLY CA C 13 45.679 0.1 . 1 . . . . 52 GLY CA . 17620 1
434 . 1 1 52 52 GLY N N 15 101.011 0.1 . 1 . . . . 52 GLY N . 17620 1
435 . 1 1 53 53 GLN H H 1 7.797 0.02 . 1 . . . . 53 GLN H . 17620 1
436 . 1 1 53 53 GLN HA H 1 4.645 0.02 . 1 . . . . 53 GLN HA . 17620 1
437 . 1 1 53 53 GLN HB2 H 1 2.293 0.02 . 2 . . . . 53 GLN HB2 . 17620 1
438 . 1 1 53 53 GLN HB3 H 1 1.946 0.02 . 2 . . . . 53 GLN HB3 . 17620 1
439 . 1 1 53 53 GLN C C 13 175.072 0.1 . 1 . . . . 53 GLN C . 17620 1
440 . 1 1 53 53 GLN CA C 13 53.530 0.1 . 1 . . . . 53 GLN CA . 17620 1
441 . 1 1 53 53 GLN CB C 13 31.480 0.1 . 1 . . . . 53 GLN CB . 17620 1
442 . 1 1 53 53 GLN CG C 13 33.675 0.1 . 1 . . . . 53 GLN CG . 17620 1
443 . 1 1 53 53 GLN N N 15 119.199 0.1 . 1 . . . . 53 GLN N . 17620 1
444 . 1 1 54 54 ALA H H 1 8.766 0.02 . 1 . . . . 54 ALA H . 17620 1
445 . 1 1 54 54 ALA HA H 1 4.130 0.02 . 1 . . . . 54 ALA HA . 17620 1
446 . 1 1 54 54 ALA HB1 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1
447 . 1 1 54 54 ALA HB2 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1
448 . 1 1 54 54 ALA HB3 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1
449 . 1 1 54 54 ALA C C 13 177.340 0.1 . 1 . . . . 54 ALA C . 17620 1
450 . 1 1 54 54 ALA CA C 13 54.660 0.1 . 1 . . . . 54 ALA CA . 17620 1
451 . 1 1 54 54 ALA CB C 13 18.667 0.1 . 1 . . . . 54 ALA CB . 17620 1
452 . 1 1 54 54 ALA N N 15 125.078 0.1 . 1 . . . . 54 ALA N . 17620 1
453 . 1 1 55 55 PHE H H 1 8.362 0.02 . 1 . . . . 55 PHE H . 17620 1
454 . 1 1 55 55 PHE HA H 1 4.938 0.02 . 1 . . . . 55 PHE HA . 17620 1
455 . 1 1 55 55 PHE HB2 H 1 2.858 0.02 . 2 . . . . 55 PHE HB2 . 17620 1
456 . 1 1 55 55 PHE HB3 H 1 3.024 0.02 . 2 . . . . 55 PHE HB3 . 17620 1
457 . 1 1 55 55 PHE HD1 H 1 7.228 0.02 . 3 . . . . 55 PHE HD . 17620 1
458 . 1 1 55 55 PHE HD2 H 1 7.228 0.02 . 3 . . . . 55 PHE HD . 17620 1
459 . 1 1 55 55 PHE HE1 H 1 7.345 0.02 . 3 . . . . 55 PHE HE . 17620 1
460 . 1 1 55 55 PHE HE2 H 1 7.345 0.02 . 3 . . . . 55 PHE HE . 17620 1
461 . 1 1 55 55 PHE CA C 13 57.045 0.1 . 1 . . . . 55 PHE CA . 17620 1
462 . 1 1 55 55 PHE CB C 13 41.303 0.1 . 1 . . . . 55 PHE CB . 17620 1
463 . 1 1 55 55 PHE CD1 C 13 131.742 0.1 . 3 . . . . 55 PHE CD1 . 17620 1
464 . 1 1 55 55 PHE CE1 C 13 130.196 0.1 . 3 . . . . 55 PHE CE1 . 17620 1
465 . 1 1 55 55 PHE N N 15 123.307 0.1 . 1 . . . . 55 PHE N . 17620 1
466 . 1 1 57 57 GLY HA2 H 1 3.638 0.02 . 2 . . . . 57 GLY HA2 . 17620 1
467 . 1 1 57 57 GLY HA3 H 1 3.325 0.02 . 2 . . . . 57 GLY HA3 . 17620 1
468 . 1 1 57 57 GLY CA C 13 47.346 0.1 . 1 . . . . 57 GLY CA . 17620 1
469 . 1 1 58 58 GLU H H 1 9.205 0.02 . 1 . . . . 58 GLU H . 17620 1
470 . 1 1 58 58 GLU HA H 1 4.126 0.02 . 1 . . . . 58 GLU HA . 17620 1
471 . 1 1 58 58 GLU HB2 H 1 1.973 0.02 . 2 . . . . 58 GLU HB . 17620 1
472 . 1 1 58 58 GLU HB3 H 1 1.973 0.02 . 2 . . . . 58 GLU HB . 17620 1
473 . 1 1 58 58 GLU HG2 H 1 2.249 0.02 . 2 . . . . 58 GLU HG . 17620 1
474 . 1 1 58 58 GLU HG3 H 1 2.249 0.02 . 2 . . . . 58 GLU HG . 17620 1
475 . 1 1 58 58 GLU C C 13 173.082 0.1 . 1 . . . . 58 GLU C . 17620 1
476 . 1 1 58 58 GLU CA C 13 58.273 0.1 . 1 . . . . 58 GLU CA . 17620 1
477 . 1 1 58 58 GLU CB C 13 28.923 0.1 . 1 . . . . 58 GLU CB . 17620 1
478 . 1 1 58 58 GLU CG C 13 35.898 0.1 . 1 . . . . 58 GLU CG . 17620 1
479 . 1 1 58 58 GLU N N 15 119.410 0.1 . 1 . . . . 58 GLU N . 17620 1
480 . 1 1 59 59 ASN H H 1 8.010 0.02 . 1 . . . . 59 ASN H . 17620 1
481 . 1 1 59 59 ASN HA H 1 4.179 0.02 . 1 . . . . 59 ASN HA . 17620 1
482 . 1 1 59 59 ASN HB2 H 1 2.824 0.02 . 2 . . . . 59 ASN HB . 17620 1
483 . 1 1 59 59 ASN HB3 H 1 2.824 0.02 . 2 . . . . 59 ASN HB . 17620 1
484 . 1 1 59 59 ASN CA C 13 56.381 0.1 . 1 . . . . 59 ASN CA . 17620 1
485 . 1 1 59 59 ASN CB C 13 40.045 0.1 . 1 . . . . 59 ASN CB . 17620 1
486 . 1 1 59 59 ASN N N 15 121.901 0.1 . 1 . . . . 59 ASN N . 17620 1
487 . 1 1 61 61 ILE HA H 1 3.908 0.02 . 1 . . . . 61 ILE HA . 17620 1
488 . 1 1 61 61 ILE HB H 1 1.819 0.02 . 1 . . . . 61 ILE HB . 17620 1
489 . 1 1 61 61 ILE HG12 H 1 1.522 0.02 . 2 . . . . 61 ILE HG1 . 17620 1
490 . 1 1 61 61 ILE HG13 H 1 1.522 0.02 . 2 . . . . 61 ILE HG1 . 17620 1
491 . 1 1 61 61 ILE HG21 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1
492 . 1 1 61 61 ILE HG22 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1
493 . 1 1 61 61 ILE HG23 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1
494 . 1 1 61 61 ILE HD11 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1
495 . 1 1 61 61 ILE HD12 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1
496 . 1 1 61 61 ILE HD13 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1
497 . 1 1 61 61 ILE CA C 13 62.930 0.1 . 1 . . . . 61 ILE CA . 17620 1
498 . 1 1 61 61 ILE CB C 13 37.254 0.1 . 1 . . . . 61 ILE CB . 17620 1
499 . 1 1 61 61 ILE CG1 C 13 27.525 0.1 . 1 . . . . 61 ILE CG1 . 17620 1
500 . 1 1 61 61 ILE CG2 C 13 16.831 0.1 . 1 . . . . 61 ILE CG2 . 17620 1
501 . 1 1 61 61 ILE CD1 C 13 12.532 0.1 . 1 . . . . 61 ILE CD1 . 17620 1
502 . 1 1 62 62 GLY H H 1 8.575 0.02 . 1 . . . . 62 GLY H . 17620 1
503 . 1 1 62 62 GLY HA2 H 1 4.066 0.02 . 2 . . . . 62 GLY HA2 . 17620 1
504 . 1 1 62 62 GLY HA3 H 1 3.701 0.02 . 2 . . . . 62 GLY HA3 . 17620 1
505 . 1 1 62 62 GLY C C 13 175.188 0.1 . 1 . . . . 62 GLY C . 17620 1
506 . 1 1 62 62 GLY CA C 13 45.010 0.1 . 1 . . . . 62 GLY CA . 17620 1
507 . 1 1 62 62 GLY N N 15 113.490 0.1 . 1 . . . . 62 GLY N . 17620 1
508 . 1 1 63 63 GLY H H 1 8.005 0.02 . 1 . . . . 63 GLY H . 17620 1
509 . 1 1 63 63 GLY HA2 H 1 3.935 0.02 . 2 . . . . 63 GLY HA2 . 17620 1
510 . 1 1 63 63 GLY HA3 H 1 4.050 0.02 . 2 . . . . 63 GLY HA3 . 17620 1
511 . 1 1 63 63 GLY CA C 13 45.460 0.1 . 1 . . . . 63 GLY CA . 17620 1
512 . 1 1 63 63 GLY N N 15 107.761 0.1 . 1 . . . . 63 GLY N . 17620 1
513 . 1 1 68 68 HIS H H 1 8.604 0.02 . 1 . . . . 68 HIS H . 17620 1
514 . 1 1 68 68 HIS HA H 1 4.143 0.02 . 1 . . . . 68 HIS HA . 17620 1
515 . 1 1 68 68 HIS C C 13 175.812 0.1 . 1 . . . . 68 HIS C . 17620 1
516 . 1 1 68 68 HIS CA C 13 57.292 0.1 . 1 . . . . 68 HIS CA . 17620 1
517 . 1 1 68 68 HIS CB C 13 29.357 0.1 . 1 . . . . 68 HIS CB . 17620 1
518 . 1 1 68 68 HIS N N 15 121.758 0.1 . 1 . . . . 68 HIS N . 17620 1
519 . 1 1 69 69 GLN H H 1 9.726 0.02 . 1 . . . . 69 GLN H . 17620 1
520 . 1 1 69 69 GLN HA H 1 4.528 0.02 . 1 . . . . 69 GLN HA . 17620 1
521 . 1 1 69 69 GLN CA C 13 55.562 0.1 . 1 . . . . 69 GLN CA . 17620 1
522 . 1 1 69 69 GLN CB C 13 32.630 0.1 . 1 . . . . 69 GLN CB . 17620 1
523 . 1 1 69 69 GLN N N 15 121.449 0.1 . 1 . . . . 69 GLN N . 17620 1
524 . 1 1 72 72 SER H H 1 7.891 0.02 . 1 . . . . 72 SER H . 17620 1
525 . 1 1 72 72 SER HA H 1 5.893 0.02 . 1 . . . . 72 SER HA . 17620 1
526 . 1 1 72 72 SER HB2 H 1 3.560 0.02 . 2 . . . . 72 SER HB2 . 17620 1
527 . 1 1 72 72 SER HB3 H 1 3.639 0.02 . 2 . . . . 72 SER HB3 . 17620 1
528 . 1 1 72 72 SER C C 13 173.012 0.1 . 1 . . . . 72 SER C . 17620 1
529 . 1 1 72 72 SER CA C 13 57.352 0.1 . 1 . . . . 72 SER CA . 17620 1
530 . 1 1 72 72 SER CB C 13 67.917 0.1 . 1 . . . . 72 SER CB . 17620 1
531 . 1 1 72 72 SER N N 15 110.616 0.1 . 1 . . . . 72 SER N . 17620 1
532 . 1 1 73 73 LEU H H 1 8.570 0.02 . 1 . . . . 73 LEU H . 17620 1
533 . 1 1 73 73 LEU HA H 1 4.328 0.02 . 1 . . . . 73 LEU HA . 17620 1
534 . 1 1 73 73 LEU HB2 H 1 1.295 0.02 . 2 . . . . 73 LEU HB . 17620 1
535 . 1 1 73 73 LEU HB3 H 1 1.295 0.02 . 2 . . . . 73 LEU HB . 17620 1
536 . 1 1 73 73 LEU CA C 13 54.441 0.1 . 1 . . . . 73 LEU CA . 17620 1
537 . 1 1 73 73 LEU CB C 13 42.759 0.1 . 1 . . . . 73 LEU CB . 17620 1
538 . 1 1 73 73 LEU N N 15 126.656 0.1 . 1 . . . . 73 LEU N . 17620 1
539 . 1 1 74 74 VAL HA H 1 4.461 0.02 . 1 . . . . 74 VAL HA . 17620 1
540 . 1 1 74 74 VAL HB H 1 1.788 0.02 . 1 . . . . 74 VAL HB . 17620 1
541 . 1 1 74 74 VAL HG11 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1
542 . 1 1 74 74 VAL HG12 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1
543 . 1 1 74 74 VAL HG13 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1
544 . 1 1 74 74 VAL HG21 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1
545 . 1 1 74 74 VAL HG22 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1
546 . 1 1 74 74 VAL HG23 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1
547 . 1 1 74 74 VAL CA C 13 60.929 0.1 . 1 . . . . 74 VAL CA . 17620 1
548 . 1 1 74 74 VAL CB C 13 34.202 0.1 . 1 . . . . 74 VAL CB . 17620 1
549 . 1 1 74 74 VAL CG1 C 13 21.344 0.1 . 2 . . . . 74 VAL CG1 . 17620 1
550 . 1 1 74 74 VAL CG2 C 13 20.909 0.1 . 2 . . . . 74 VAL CG2 . 17620 1
551 . 1 1 75 75 MET H H 1 8.434 0.02 . 1 . . . . 75 MET H . 17620 1
552 . 1 1 75 75 MET HA H 1 4.521 0.02 . 1 . . . . 75 MET HA . 17620 1
553 . 1 1 75 75 MET HB2 H 1 1.416 0.02 . 2 . . . . 75 MET HB . 17620 1
554 . 1 1 75 75 MET HB3 H 1 1.416 0.02 . 2 . . . . 75 MET HB . 17620 1
555 . 1 1 75 75 MET HG2 H 1 3.017 0.02 . 2 . . . . 75 MET HG . 17620 1
556 . 1 1 75 75 MET HG3 H 1 3.017 0.02 . 2 . . . . 75 MET HG . 17620 1
557 . 1 1 75 75 MET C C 13 174.054 0.1 . 1 . . . . 75 MET C . 17620 1
558 . 1 1 75 75 MET CA C 13 54.500 0.1 . 1 . . . . 75 MET CA . 17620 1
559 . 1 1 75 75 MET CB C 13 35.212 0.1 . 1 . . . . 75 MET CB . 17620 1
560 . 1 1 75 75 MET CG C 13 31.336 0.1 . 1 . . . . 75 MET CG . 17620 1
561 . 1 1 75 75 MET N N 15 124.982 0.1 . 1 . . . . 75 MET N . 17620 1
562 . 1 1 76 76 GLU H H 1 8.521 0.02 . 1 . . . . 76 GLU H . 17620 1
563 . 1 1 76 76 GLU HA H 1 4.364 0.02 . 1 . . . . 76 GLU HA . 17620 1
564 . 1 1 76 76 GLU HB2 H 1 1.773 0.02 . 2 . . . . 76 GLU HB . 17620 1
565 . 1 1 76 76 GLU HB3 H 1 1.773 0.02 . 2 . . . . 76 GLU HB . 17620 1
566 . 1 1 76 76 GLU HG2 H 1 2.068 0.02 . 2 . . . . 76 GLU HG . 17620 1
567 . 1 1 76 76 GLU HG3 H 1 2.068 0.02 . 2 . . . . 76 GLU HG . 17620 1
568 . 1 1 76 76 GLU C C 13 176.854 0.1 . 1 . . . . 76 GLU C . 17620 1
569 . 1 1 76 76 GLU CA C 13 55.987 0.1 . 1 . . . . 76 GLU CA . 17620 1
570 . 1 1 76 76 GLU CB C 13 30.985 0.1 . 1 . . . . 76 GLU CB . 17620 1
571 . 1 1 76 76 GLU CG C 13 36.416 0.1 . 1 . . . . 76 GLU CG . 17620 1
572 . 1 1 76 76 GLU N N 15 121.916 0.1 . 1 . . . . 76 GLU N . 17620 1
573 . 1 1 77 77 SER H H 1 8.145 0.02 . 1 . . . . 77 SER H . 17620 1
574 . 1 1 77 77 SER HA H 1 3.495 0.02 . 1 . . . . 77 SER HA . 17620 1
575 . 1 1 77 77 SER HB2 H 1 3.918 0.02 . 2 . . . . 77 SER HB2 . 17620 1
576 . 1 1 77 77 SER HB3 H 1 3.606 0.02 . 2 . . . . 77 SER HB3 . 17620 1
577 . 1 1 77 77 SER C C 13 174.447 0.1 . 1 . . . . 77 SER C . 17620 1
578 . 1 1 77 77 SER CA C 13 57.536 0.1 . 1 . . . . 77 SER CA . 17620 1
579 . 1 1 77 77 SER CB C 13 61.785 0.1 . 1 . . . . 77 SER CB . 17620 1
580 . 1 1 77 77 SER N N 15 115.711 0.1 . 1 . . . . 77 SER N . 17620 1
581 . 1 1 78 78 VAL H H 1 8.304 0.02 . 1 . . . . 78 VAL H . 17620 1
582 . 1 1 78 78 VAL HA H 1 4.014 0.02 . 1 . . . . 78 VAL HA . 17620 1
583 . 1 1 78 78 VAL HB H 1 2.072 0.02 . 1 . . . . 78 VAL HB . 17620 1
584 . 1 1 78 78 VAL HG11 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1
585 . 1 1 78 78 VAL HG12 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1
586 . 1 1 78 78 VAL HG13 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1
587 . 1 1 78 78 VAL HG21 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1
588 . 1 1 78 78 VAL HG22 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1
589 . 1 1 78 78 VAL HG23 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1
590 . 1 1 78 78 VAL C C 13 176.715 0.1 . 1 . . . . 78 VAL C . 17620 1
591 . 1 1 78 78 VAL CA C 13 63.130 0.1 . 1 . . . . 78 VAL CA . 17620 1
592 . 1 1 78 78 VAL CB C 13 32.684 0.1 . 1 . . . . 78 VAL CB . 17620 1
593 . 1 1 78 78 VAL CG1 C 13 22.513 0.1 . 2 . . . . 78 VAL CG1 . 17620 1
594 . 1 1 78 78 VAL CG2 C 13 20.307 0.1 . 2 . . . . 78 VAL CG2 . 17620 1
595 . 1 1 78 78 VAL N N 15 115.090 0.1 . 1 . . . . 78 VAL N . 17620 1
596 . 1 1 79 79 VAL H H 1 9.101 0.02 . 1 . . . . 79 VAL H . 17620 1
597 . 1 1 79 79 VAL HA H 1 4.791 0.02 . 1 . . . . 79 VAL HA . 17620 1
598 . 1 1 79 79 VAL HB H 1 2.404 0.02 . 1 . . . . 79 VAL HB . 17620 1
599 . 1 1 79 79 VAL HG11 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1
600 . 1 1 79 79 VAL HG12 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1
601 . 1 1 79 79 VAL HG13 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1
602 . 1 1 79 79 VAL HG21 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1
603 . 1 1 79 79 VAL HG22 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1
604 . 1 1 79 79 VAL HG23 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1
605 . 1 1 79 79 VAL CA C 13 58.740 0.1 . 1 . . . . 79 VAL CA . 17620 1
606 . 1 1 79 79 VAL CB C 13 32.896 0.1 . 1 . . . . 79 VAL CB . 17620 1
607 . 1 1 79 79 VAL CG1 C 13 22.615 0.1 . 2 . . . . 79 VAL CG1 . 17620 1
608 . 1 1 79 79 VAL CG2 C 13 19.053 0.1 . 2 . . . . 79 VAL CG2 . 17620 1
609 . 1 1 79 79 VAL N N 15 116.645 0.1 . 1 . . . . 79 VAL N . 17620 1
610 . 1 1 80 80 PRO HA H 1 4.026 0.02 . 1 . . . . 80 PRO HA . 17620 1
611 . 1 1 80 80 PRO HB2 H 1 2.003 0.02 . 2 . . . . 80 PRO HB . 17620 1
612 . 1 1 80 80 PRO HB3 H 1 2.003 0.02 . 2 . . . . 80 PRO HB . 17620 1
613 . 1 1 80 80 PRO HG2 H 1 2.251 0.02 . 2 . . . . 80 PRO HG . 17620 1
614 . 1 1 80 80 PRO HG3 H 1 2.251 0.02 . 2 . . . . 80 PRO HG . 17620 1
615 . 1 1 80 80 PRO HD2 H 1 3.354 0.02 . 2 . . . . 80 PRO HD . 17620 1
616 . 1 1 80 80 PRO HD3 H 1 3.354 0.02 . 2 . . . . 80 PRO HD . 17620 1
617 . 1 1 80 80 PRO CA C 13 67.338 0.1 . 1 . . . . 80 PRO CA . 17620 1
618 . 1 1 80 80 PRO CB C 13 31.267 0.1 . 1 . . . . 80 PRO CB . 17620 1
619 . 1 1 80 80 PRO CG C 13 28.559 0.1 . 1 . . . . 80 PRO CG . 17620 1
620 . 1 1 80 80 PRO CD C 13 51.127 0.1 . 1 . . . . 80 PRO CD . 17620 1
621 . 1 1 81 81 SER H H 1 8.089 0.02 . 1 . . . . 81 SER H . 17620 1
622 . 1 1 81 81 SER HA H 1 4.296 0.02 . 1 . . . . 81 SER HA . 17620 1
623 . 1 1 81 81 SER HB2 H 1 4.132 0.02 . 2 . . . . 81 SER HB2 . 17620 1
624 . 1 1 81 81 SER HB3 H 1 3.877 0.02 . 2 . . . . 81 SER HB3 . 17620 1
625 . 1 1 81 81 SER C C 13 175.697 0.1 . 1 . . . . 81 SER C . 17620 1
626 . 1 1 81 81 SER CA C 13 60.481 0.1 . 1 . . . . 81 SER CA . 17620 1
627 . 1 1 81 81 SER CB C 13 62.589 0.1 . 1 . . . . 81 SER CB . 17620 1
628 . 1 1 81 81 SER N N 15 109.245 0.1 . 1 . . . . 81 SER N . 17620 1
629 . 1 1 82 82 ASP H H 1 8.716 0.02 . 1 . . . . 82 ASP H . 17620 1
630 . 1 1 82 82 ASP HA H 1 4.632 0.02 . 1 . . . . 82 ASP HA . 17620 1
631 . 1 1 82 82 ASP HB2 H 1 2.882 0.02 . 2 . . . . 82 ASP HB2 . 17620 1
632 . 1 1 82 82 ASP HB3 H 1 2.562 0.02 . 2 . . . . 82 ASP HB3 . 17620 1
633 . 1 1 82 82 ASP C C 13 177.270 0.1 . 1 . . . . 82 ASP C . 17620 1
634 . 1 1 82 82 ASP CA C 13 55.805 0.1 . 1 . . . . 82 ASP CA . 17620 1
635 . 1 1 82 82 ASP CB C 13 42.029 0.1 . 1 . . . . 82 ASP CB . 17620 1
636 . 1 1 82 82 ASP N N 15 119.716 0.1 . 1 . . . . 82 ASP N . 17620 1
637 . 1 1 83 83 ARG H H 1 7.763 0.02 . 1 . . . . 83 ARG H . 17620 1
638 . 1 1 83 83 ARG HA H 1 4.078 0.02 . 1 . . . . 83 ARG HA . 17620 1
639 . 1 1 83 83 ARG HB2 H 1 2.192 0.02 . 2 . . . . 83 ARG HB2 . 17620 1
640 . 1 1 83 83 ARG HB3 H 1 1.934 0.02 . 2 . . . . 83 ARG HB3 . 17620 1
641 . 1 1 83 83 ARG C C 13 174.933 0.1 . 1 . . . . 83 ARG C . 17620 1
642 . 1 1 83 83 ARG CA C 13 57.898 0.1 . 1 . . . . 83 ARG CA . 17620 1
643 . 1 1 83 83 ARG CB C 13 30.560 0.1 . 1 . . . . 83 ARG CB . 17620 1
644 . 1 1 83 83 ARG CG C 13 26.657 0.1 . 1 . . . . 83 ARG CG . 17620 1
645 . 1 1 83 83 ARG N N 15 120.362 0.1 . 1 . . . . 83 ARG N . 17620 1
646 . 1 1 84 84 GLY H H 1 8.465 0.02 . 1 . . . . 84 GLY H . 17620 1
647 . 1 1 84 84 GLY HA2 H 1 4.388 0.02 . 2 . . . . 84 GLY HA2 . 17620 1
648 . 1 1 84 84 GLY HA3 H 1 3.998 0.02 . 2 . . . . 84 GLY HA3 . 17620 1
649 . 1 1 84 84 GLY C C 13 171.762 0.1 . 1 . . . . 84 GLY C . 17620 1
650 . 1 1 84 84 GLY CA C 13 45.297 0.1 . 1 . . . . 84 GLY CA . 17620 1
651 . 1 1 84 84 GLY N N 15 108.389 0.1 . 1 . . . . 84 GLY N . 17620 1
652 . 1 1 85 85 THR H H 1 8.631 0.02 . 1 . . . . 85 THR H . 17620 1
653 . 1 1 85 85 THR HA H 1 4.998 0.02 . 1 . . . . 85 THR HA . 17620 1
654 . 1 1 85 85 THR HB H 1 3.907 0.02 . 1 . . . . 85 THR HB . 17620 1
655 . 1 1 85 85 THR HG21 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1
656 . 1 1 85 85 THR HG22 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1
657 . 1 1 85 85 THR HG23 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1
658 . 1 1 85 85 THR C C 13 174.470 0.1 . 1 . . . . 85 THR C . 17620 1
659 . 1 1 85 85 THR CA C 13 62.051 0.1 . 1 . . . . 85 THR CA . 17620 1
660 . 1 1 85 85 THR CB C 13 69.829 0.1 . 1 . . . . 85 THR CB . 17620 1
661 . 1 1 85 85 THR CG2 C 13 21.243 0.1 . 1 . . . . 85 THR CG2 . 17620 1
662 . 1 1 85 85 THR N N 15 116.778 0.1 . 1 . . . . 85 THR N . 17620 1
663 . 1 1 86 86 TYR H H 1 9.797 0.02 . 1 . . . . 86 TYR H . 17620 1
664 . 1 1 86 86 TYR HA H 1 5.255 0.02 . 1 . . . . 86 TYR HA . 17620 1
665 . 1 1 86 86 TYR HB2 H 1 2.412 0.02 . 2 . . . . 86 TYR HB2 . 17620 1
666 . 1 1 86 86 TYR HB3 H 1 2.601 0.02 . 2 . . . . 86 TYR HB3 . 17620 1
667 . 1 1 86 86 TYR HD1 H 1 6.618 0.02 . 3 . . . . 86 TYR HD . 17620 1
668 . 1 1 86 86 TYR HD2 H 1 6.618 0.02 . 3 . . . . 86 TYR HD . 17620 1
669 . 1 1 86 86 TYR C C 13 174.979 0.1 . 1 . . . . 86 TYR C . 17620 1
670 . 1 1 86 86 TYR CA C 13 57.397 0.1 . 1 . . . . 86 TYR CA . 17620 1
671 . 1 1 86 86 TYR CB C 13 40.310 0.1 . 1 . . . . 86 TYR CB . 17620 1
672 . 1 1 86 86 TYR N N 15 130.267 0.1 . 1 . . . . 86 TYR N . 17620 1
673 . 1 1 87 87 THR H H 1 9.223 0.02 . 1 . . . . 87 THR H . 17620 1
674 . 1 1 87 87 THR HA H 1 5.728 0.02 . 1 . . . . 87 THR HA . 17620 1
675 . 1 1 87 87 THR HB H 1 3.604 0.02 . 1 . . . . 87 THR HB . 17620 1
676 . 1 1 87 87 THR HG21 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1
677 . 1 1 87 87 THR HG22 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1
678 . 1 1 87 87 THR HG23 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1
679 . 1 1 87 87 THR C C 13 174.308 0.1 . 1 . . . . 87 THR C . 17620 1
680 . 1 1 87 87 THR CA C 13 60.529 0.1 . 1 . . . . 87 THR CA . 17620 1
681 . 1 1 87 87 THR CB C 13 72.824 0.1 . 1 . . . . 87 THR CB . 17620 1
682 . 1 1 87 87 THR CG2 C 13 21.243 0.1 . 1 . . . . 87 THR CG2 . 17620 1
683 . 1 1 87 87 THR N N 15 120.485 0.1 . 1 . . . . 87 THR N . 17620 1
684 . 1 1 88 88 CYS H H 1 8.889 0.02 . 1 . . . . 88 CYS H . 17620 1
685 . 1 1 88 88 CYS HA H 1 4.431 0.02 . 1 . . . . 88 CYS HA . 17620 1
686 . 1 1 88 88 CYS HB2 H 1 2.494 0.02 . 2 . . . . 88 CYS HB2 . 17620 1
687 . 1 1 88 88 CYS HB3 H 1 1.256 0.02 . 2 . . . . 88 CYS HB3 . 17620 1
688 . 1 1 88 88 CYS C C 13 171.924 0.1 . 1 . . . . 88 CYS C . 17620 1
689 . 1 1 88 88 CYS CA C 13 53.150 0.1 . 1 . . . . 88 CYS CA . 17620 1
690 . 1 1 88 88 CYS CB C 13 43.020 0.1 . 1 . . . . 88 CYS CB . 17620 1
691 . 1 1 88 88 CYS N N 15 122.035 0.1 . 1 . . . . 88 CYS N . 17620 1
692 . 1 1 89 89 LEU H H 1 8.880 0.02 . 1 . . . . 89 LEU H . 17620 1
693 . 1 1 89 89 LEU HA H 1 4.645 0.02 . 1 . . . . 89 LEU HA . 17620 1
694 . 1 1 89 89 LEU HB2 H 1 1.391 0.02 . 2 . . . . 89 LEU HB2 . 17620 1
695 . 1 1 89 89 LEU HB3 H 1 1.009 0.02 . 2 . . . . 89 LEU HB3 . 17620 1
696 . 1 1 89 89 LEU C C 13 175.234 0.1 . 1 . . . . 89 LEU C . 17620 1
697 . 1 1 89 89 LEU CA C 13 54.150 0.1 . 1 . . . . 89 LEU CA . 17620 1
698 . 1 1 89 89 LEU CB C 13 43.728 0.1 . 1 . . . . 89 LEU CB . 17620 1
699 . 1 1 89 89 LEU CG C 13 27.326 0.1 . 1 . . . . 89 LEU CG . 17620 1
700 . 1 1 89 89 LEU CD1 C 13 24.786 0.1 . 2 . . . . 89 LEU CD1 . 17620 1
701 . 1 1 89 89 LEU CD2 C 13 24.251 0.1 . 2 . . . . 89 LEU CD2 . 17620 1
702 . 1 1 89 89 LEU N N 15 125.955 0.1 . 1 . . . . 89 LEU N . 17620 1
703 . 1 1 90 90 VAL H H 1 8.909 0.02 . 1 . . . . 90 VAL H . 17620 1
704 . 1 1 90 90 VAL HA H 1 5.236 0.02 . 1 . . . . 90 VAL HA . 17620 1
705 . 1 1 90 90 VAL HB H 1 1.727 0.02 . 1 . . . . 90 VAL HB . 17620 1
706 . 1 1 90 90 VAL HG11 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1
707 . 1 1 90 90 VAL HG12 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1
708 . 1 1 90 90 VAL HG13 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1
709 . 1 1 90 90 VAL HG21 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1
710 . 1 1 90 90 VAL HG22 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1
711 . 1 1 90 90 VAL HG23 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1
712 . 1 1 90 90 VAL C C 13 175.512 0.1 . 1 . . . . 90 VAL C . 17620 1
713 . 1 1 90 90 VAL CA C 13 61.628 0.1 . 1 . . . . 90 VAL CA . 17620 1
714 . 1 1 90 90 VAL CB C 13 32.967 0.1 . 1 . . . . 90 VAL CB . 17620 1
715 . 1 1 90 90 VAL CG1 C 13 20.777 0.1 . 2 . . . . 90 VAL CG1 . 17620 1
716 . 1 1 90 90 VAL CG2 C 13 22.535 0.1 . 2 . . . . 90 VAL CG2 . 17620 1
717 . 1 1 90 90 VAL N N 15 129.676 0.1 . 1 . . . . 90 VAL N . 17620 1
718 . 1 1 91 91 GLU H H 1 8.202 0.02 . 1 . . . . 91 GLU H . 17620 1
719 . 1 1 91 91 GLU HA H 1 5.132 0.02 . 1 . . . . 91 GLU HA . 17620 1
720 . 1 1 91 91 GLU HB2 H 1 1.784 0.02 . 2 . . . . 91 GLU HB2 . 17620 1
721 . 1 1 91 91 GLU HB3 H 1 1.894 0.02 . 2 . . . . 91 GLU HB3 . 17620 1
722 . 1 1 91 91 GLU HG2 H 1 2.033 0.02 . 2 . . . . 91 GLU HG2 . 17620 1
723 . 1 1 91 91 GLU HG3 H 1 1.948 0.02 . 2 . . . . 91 GLU HG3 . 17620 1
724 . 1 1 91 91 GLU C C 13 175.049 0.1 . 1 . . . . 91 GLU C . 17620 1
725 . 1 1 91 91 GLU CA C 13 55.215 0.1 . 1 . . . . 91 GLU CA . 17620 1
726 . 1 1 91 91 GLU CB C 13 35.543 0.1 . 1 . . . . 91 GLU CB . 17620 1
727 . 1 1 91 91 GLU CG C 13 36.570 0.1 . 1 . . . . 91 GLU CG . 17620 1
728 . 1 1 91 91 GLU N N 15 123.105 0.1 . 1 . . . . 91 GLU N . 17620 1
729 . 1 1 92 92 ASN H H 1 8.872 0.02 . 1 . . . . 92 ASN H . 17620 1
730 . 1 1 92 92 ASN HA H 1 4.702 0.02 . 1 . . . . 92 ASN HA . 17620 1
731 . 1 1 92 92 ASN HB2 H 1 2.545 0.02 . 2 . . . . 92 ASN HB2 . 17620 1
732 . 1 1 92 92 ASN HB3 H 1 3.025 0.02 . 2 . . . . 92 ASN HB3 . 17620 1
733 . 1 1 92 92 ASN C C 13 176.252 0.1 . 1 . . . . 92 ASN C . 17620 1
734 . 1 1 92 92 ASN CA C 13 52.003 0.1 . 1 . . . . 92 ASN CA . 17620 1
735 . 1 1 92 92 ASN CB C 13 41.516 0.1 . 1 . . . . 92 ASN CB . 17620 1
736 . 1 1 92 92 ASN N N 15 118.869 0.1 . 1 . . . . 92 ASN N . 17620 1
737 . 1 1 93 93 ALA H H 1 8.089 0.02 . 1 . . . . 93 ALA H . 17620 1
738 . 1 1 93 93 ALA HA H 1 3.996 0.02 . 1 . . . . 93 ALA HA . 17620 1
739 . 1 1 93 93 ALA HB1 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1
740 . 1 1 93 93 ALA HB2 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1
741 . 1 1 93 93 ALA HB3 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1
742 . 1 1 93 93 ALA C C 13 178.266 0.1 . 1 . . . . 93 ALA C . 17620 1
743 . 1 1 93 93 ALA CA C 13 54.644 0.1 . 1 . . . . 93 ALA CA . 17620 1
744 . 1 1 93 93 ALA CB C 13 19.588 0.1 . 1 . . . . 93 ALA CB . 17620 1
745 . 1 1 93 93 ALA N N 15 115.943 0.1 . 1 . . . . 93 ALA N . 17620 1
746 . 1 1 94 94 VAL H H 1 7.550 0.02 . 1 . . . . 94 VAL H . 17620 1
747 . 1 1 94 94 VAL HA H 1 4.110 0.02 . 1 . . . . 94 VAL HA . 17620 1
748 . 1 1 94 94 VAL HB H 1 2.080 0.02 . 1 . . . . 94 VAL HB . 17620 1
749 . 1 1 94 94 VAL HG11 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1
750 . 1 1 94 94 VAL HG12 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1
751 . 1 1 94 94 VAL HG13 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1
752 . 1 1 94 94 VAL HG21 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1
753 . 1 1 94 94 VAL HG22 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1
754 . 1 1 94 94 VAL HG23 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1
755 . 1 1 94 94 VAL C C 13 176.599 0.1 . 1 . . . . 94 VAL C . 17620 1
756 . 1 1 94 94 VAL CA C 13 62.100 0.1 . 1 . . . . 94 VAL CA . 17620 1
757 . 1 1 94 94 VAL CB C 13 32.836 0.1 . 1 . . . . 94 VAL CB . 17620 1
758 . 1 1 94 94 VAL CG1 C 13 22.179 0.1 . 2 . . . . 94 VAL CG1 . 17620 1
759 . 1 1 94 94 VAL CG2 C 13 20.976 0.1 . 2 . . . . 94 VAL CG2 . 17620 1
760 . 1 1 94 94 VAL N N 15 111.359 0.1 . 1 . . . . 94 VAL N . 17620 1
761 . 1 1 95 95 GLY H H 1 7.701 0.02 . 1 . . . . 95 GLY H . 17620 1
762 . 1 1 95 95 GLY HA2 H 1 4.123 0.02 . 2 . . . . 95 GLY HA . 17620 1
763 . 1 1 95 95 GLY HA3 H 1 4.123 0.02 . 2 . . . . 95 GLY HA . 17620 1
764 . 1 1 95 95 GLY C C 13 170.119 0.1 . 1 . . . . 95 GLY C . 17620 1
765 . 1 1 95 95 GLY CA C 13 46.381 0.1 . 1 . . . . 95 GLY CA . 17620 1
766 . 1 1 95 95 GLY N N 15 106.542 0.1 . 1 . . . . 95 GLY N . 17620 1
767 . 1 1 96 96 SER H H 1 8.105 0.02 . 1 . . . . 96 SER H . 17620 1
768 . 1 1 96 96 SER HA H 1 5.400 0.02 . 1 . . . . 96 SER HA . 17620 1
769 . 1 1 96 96 SER HB2 H 1 3.643 0.02 . 2 . . . . 96 SER HB2 . 17620 1
770 . 1 1 96 96 SER HB3 H 1 3.734 0.02 . 2 . . . . 96 SER HB3 . 17620 1
771 . 1 1 96 96 SER C C 13 173.267 0.1 . 1 . . . . 96 SER C . 17620 1
772 . 1 1 96 96 SER CA C 13 56.635 0.1 . 1 . . . . 96 SER CA . 17620 1
773 . 1 1 96 96 SER CB C 13 66.877 0.1 . 1 . . . . 96 SER CB . 17620 1
774 . 1 1 96 96 SER N N 15 111.183 0.1 . 1 . . . . 96 SER N . 17620 1
775 . 1 1 97 97 ILE H H 1 8.988 0.02 . 1 . . . . 97 ILE H . 17620 1
776 . 1 1 97 97 ILE HA H 1 4.564 0.02 . 1 . . . . 97 ILE HA . 17620 1
777 . 1 1 97 97 ILE HB H 1 1.507 0.02 . 1 . . . . 97 ILE HB . 17620 1
778 . 1 1 97 97 ILE HG12 H 1 0.664 0.02 . 2 . . . . 97 ILE HG1 . 17620 1
779 . 1 1 97 97 ILE HG13 H 1 0.664 0.02 . 2 . . . . 97 ILE HG1 . 17620 1
780 . 1 1 97 97 ILE HG21 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1
781 . 1 1 97 97 ILE HG22 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1
782 . 1 1 97 97 ILE HG23 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1
783 . 1 1 97 97 ILE HD11 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1
784 . 1 1 97 97 ILE HD12 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1
785 . 1 1 97 97 ILE HD13 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1
786 . 1 1 97 97 ILE C C 13 173.174 0.1 . 1 . . . . 97 ILE C . 17620 1
787 . 1 1 97 97 ILE CA C 13 61.054 0.1 . 1 . . . . 97 ILE CA . 17620 1
788 . 1 1 97 97 ILE CB C 13 42.097 0.1 . 1 . . . . 97 ILE CB . 17620 1
789 . 1 1 97 97 ILE CG1 C 13 25.922 0.1 . 1 . . . . 97 ILE CG1 . 17620 1
790 . 1 1 97 97 ILE CG2 C 13 17.366 0.1 . 1 . . . . 97 ILE CG2 . 17620 1
791 . 1 1 97 97 ILE CD1 C 13 10.014 0.1 . 1 . . . . 97 ILE CD1 . 17620 1
792 . 1 1 97 97 ILE N N 15 118.423 0.1 . 1 . . . . 97 ILE N . 17620 1
793 . 1 1 98 98 ARG H H 1 8.308 0.02 . 1 . . . . 98 ARG H . 17620 1
794 . 1 1 98 98 ARG HA H 1 5.820 0.02 . 1 . . . . 98 ARG HA . 17620 1
795 . 1 1 98 98 ARG HB2 H 1 1.758 0.02 . 2 . . . . 98 ARG HB2 . 17620 1
796 . 1 1 98 98 ARG HB3 H 1 1.526 0.02 . 2 . . . . 98 ARG HB3 . 17620 1
797 . 1 1 98 98 ARG HG2 H 1 1.365 0.02 . 2 . . . . 98 ARG HG . 17620 1
798 . 1 1 98 98 ARG HG3 H 1 1.365 0.02 . 2 . . . . 98 ARG HG . 17620 1
799 . 1 1 98 98 ARG HD2 H 1 2.932 0.02 . 2 . . . . 98 ARG HD2 . 17620 1
800 . 1 1 98 98 ARG HD3 H 1 3.065 0.02 . 2 . . . . 98 ARG HD3 . 17620 1
801 . 1 1 98 98 ARG C C 13 175.026 0.1 . 1 . . . . 98 ARG C . 17620 1
802 . 1 1 98 98 ARG CA C 13 54.418 0.1 . 1 . . . . 98 ARG CA . 17620 1
803 . 1 1 98 98 ARG CB C 13 35.091 0.1 . 1 . . . . 98 ARG CB . 17620 1
804 . 1 1 98 98 ARG CG C 13 25.693 0.1 . 1 . . . . 98 ARG CG . 17620 1
805 . 1 1 98 98 ARG CD C 13 43.967 0.1 . 1 . . . . 98 ARG CD . 17620 1
806 . 1 1 98 98 ARG N N 15 116.861 0.1 . 1 . . . . 98 ARG N . 17620 1
807 . 1 1 99 99 TYR H H 1 8.286 0.02 . 1 . . . . 99 TYR H . 17620 1
808 . 1 1 99 99 TYR HA H 1 4.430 0.02 . 1 . . . . 99 TYR HA . 17620 1
809 . 1 1 99 99 TYR HB2 H 1 2.522 0.02 . 2 . . . . 99 TYR HB2 . 17620 1
810 . 1 1 99 99 TYR HB3 H 1 2.613 0.02 . 2 . . . . 99 TYR HB3 . 17620 1
811 . 1 1 99 99 TYR C C 13 172.572 0.1 . 1 . . . . 99 TYR C . 17620 1
812 . 1 1 99 99 TYR CA C 13 58.512 0.1 . 1 . . . . 99 TYR CA . 17620 1
813 . 1 1 99 99 TYR CB C 13 44.860 0.1 . 1 . . . . 99 TYR CB . 17620 1
814 . 1 1 99 99 TYR N N 15 123.271 0.1 . 1 . . . . 99 TYR N . 17620 1
815 . 1 1 100 100 ASN H H 1 6.953 0.02 . 1 . . . . 100 ASN H . 17620 1
816 . 1 1 100 100 ASN HA H 1 5.399 0.02 . 1 . . . . 100 ASN HA . 17620 1
817 . 1 1 100 100 ASN HB2 H 1 2.358 0.02 . 2 . . . . 100 ASN HB2 . 17620 1
818 . 1 1 100 100 ASN HB3 H 1 2.064 0.02 . 2 . . . . 100 ASN HB3 . 17620 1
819 . 1 1 100 100 ASN C C 13 173.290 0.1 . 1 . . . . 100 ASN C . 17620 1
820 . 1 1 100 100 ASN CA C 13 51.782 0.1 . 1 . . . . 100 ASN CA . 17620 1
821 . 1 1 100 100 ASN CB C 13 41.501 0.1 . 1 . . . . 100 ASN CB . 17620 1
822 . 1 1 100 100 ASN N N 15 120.286 0.1 . 1 . . . . 100 ASN N . 17620 1
823 . 1 1 101 101 TYR H H 1 9.412 0.02 . 1 . . . . 101 TYR H . 17620 1
824 . 1 1 101 101 TYR HA H 1 4.946 0.02 . 1 . . . . 101 TYR HA . 17620 1
825 . 1 1 101 101 TYR HB2 H 1 2.400 0.02 . 2 . . . . 101 TYR HB2 . 17620 1
826 . 1 1 101 101 TYR HB3 H 1 2.049 0.02 . 2 . . . . 101 TYR HB3 . 17620 1
827 . 1 1 101 101 TYR HD1 H 1 7.238 0.02 . 3 . . . . 101 TYR HD . 17620 1
828 . 1 1 101 101 TYR HD2 H 1 7.238 0.02 . 3 . . . . 101 TYR HD . 17620 1
829 . 1 1 101 101 TYR C C 13 174.817 0.1 . 1 . . . . 101 TYR C . 17620 1
830 . 1 1 101 101 TYR CA C 13 57.575 0.1 . 1 . . . . 101 TYR CA . 17620 1
831 . 1 1 101 101 TYR CB C 13 42.099 0.1 . 1 . . . . 101 TYR CB . 17620 1
832 . 1 1 101 101 TYR N N 15 120.103 0.1 . 1 . . . . 101 TYR N . 17620 1
833 . 1 1 102 102 LEU H H 1 8.891 0.02 . 1 . . . . 102 LEU H . 17620 1
834 . 1 1 102 102 LEU HA H 1 5.036 0.02 . 1 . . . . 102 LEU HA . 17620 1
835 . 1 1 102 102 LEU HB2 H 1 1.734 0.02 . 2 . . . . 102 LEU HB2 . 17620 1
836 . 1 1 102 102 LEU HB3 H 1 1.585 0.02 . 2 . . . . 102 LEU HB3 . 17620 1
837 . 1 1 102 102 LEU HG H 1 1.545 0.02 . 1 . . . . 102 LEU HG . 17620 1
838 . 1 1 102 102 LEU HD11 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
839 . 1 1 102 102 LEU HD12 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
840 . 1 1 102 102 LEU HD13 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
841 . 1 1 102 102 LEU HD21 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
842 . 1 1 102 102 LEU HD22 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
843 . 1 1 102 102 LEU HD23 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1
844 . 1 1 102 102 LEU C C 13 174.956 0.1 . 1 . . . . 102 LEU C . 17620 1
845 . 1 1 102 102 LEU CA C 13 54.750 0.1 . 1 . . . . 102 LEU CA . 17620 1
846 . 1 1 102 102 LEU CB C 13 44.697 0.1 . 1 . . . . 102 LEU CB . 17620 1
847 . 1 1 102 102 LEU CG C 13 28.216 0.1 . 1 . . . . 102 LEU CG . 17620 1
848 . 1 1 102 102 LEU CD1 C 13 24.852 0.1 . 2 . . . . 102 LEU CD1 . 17620 1
849 . 1 1 102 102 LEU CD2 C 13 24.385 0.1 . 2 . . . . 102 LEU CD2 . 17620 1
850 . 1 1 102 102 LEU N N 15 123.452 0.1 . 1 . . . . 102 LEU N . 17620 1
851 . 1 1 103 103 LEU H H 1 9.105 0.02 . 1 . . . . 103 LEU H . 17620 1
852 . 1 1 103 103 LEU HA H 1 5.484 0.02 . 1 . . . . 103 LEU HA . 17620 1
853 . 1 1 103 103 LEU HB2 H 1 2.429 0.02 . 2 . . . . 103 LEU HB2 . 17620 1
854 . 1 1 103 103 LEU HB3 H 1 1.432 0.02 . 2 . . . . 103 LEU HB3 . 17620 1
855 . 1 1 103 103 LEU HG H 1 1.294 0.02 . 1 . . . . 103 LEU HG . 17620 1
856 . 1 1 103 103 LEU HD11 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1
857 . 1 1 103 103 LEU HD12 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1
858 . 1 1 103 103 LEU HD13 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1
859 . 1 1 103 103 LEU HD21 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1
860 . 1 1 103 103 LEU HD22 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1
861 . 1 1 103 103 LEU HD23 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1
862 . 1 1 103 103 LEU C C 13 175.535 0.1 . 1 . . . . 103 LEU C . 17620 1
863 . 1 1 103 103 LEU CA C 13 53.871 0.1 . 1 . . . . 103 LEU CA . 17620 1
864 . 1 1 103 103 LEU CB C 13 45.357 0.1 . 1 . . . . 103 LEU CB . 17620 1
865 . 1 1 103 103 LEU CG C 13 28.281 0.1 . 1 . . . . 103 LEU CG . 17620 1
866 . 1 1 103 103 LEU CD1 C 13 26.510 0.1 . 2 . . . . 103 LEU CD1 . 17620 1
867 . 1 1 103 103 LEU CD2 C 13 24.623 0.1 . 2 . . . . 103 LEU CD2 . 17620 1
868 . 1 1 103 103 LEU N N 15 125.152 0.1 . 1 . . . . 103 LEU N . 17620 1
869 . 1 1 104 104 ASP H H 1 9.284 0.02 . 1 . . . . 104 ASP H . 17620 1
870 . 1 1 104 104 ASP HA H 1 5.027 0.02 . 1 . . . . 104 ASP HA . 17620 1
871 . 1 1 104 104 ASP HB2 H 1 2.454 0.02 . 2 . . . . 104 ASP HB2 . 17620 1
872 . 1 1 104 104 ASP HB3 H 1 2.563 0.02 . 2 . . . . 104 ASP HB3 . 17620 1
873 . 1 1 104 104 ASP C C 13 174.771 0.1 . 1 . . . . 104 ASP C . 17620 1
874 . 1 1 104 104 ASP CA C 13 52.989 0.1 . 1 . . . . 104 ASP CA . 17620 1
875 . 1 1 104 104 ASP CB C 13 43.728 0.1 . 1 . . . . 104 ASP CB . 17620 1
876 . 1 1 104 104 ASP N N 15 128.940 0.1 . 1 . . . . 104 ASP N . 17620 1
877 . 1 1 105 105 VAL H H 1 7.441 0.02 . 1 . . . . 105 VAL H . 17620 1
878 . 1 1 105 105 VAL HA H 1 4.798 0.02 . 1 . . . . 105 VAL HA . 17620 1
879 . 1 1 105 105 VAL HB H 1 1.727 0.02 . 1 . . . . 105 VAL HB . 17620 1
880 . 1 1 105 105 VAL HG11 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1
881 . 1 1 105 105 VAL HG12 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1
882 . 1 1 105 105 VAL HG13 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1
883 . 1 1 105 105 VAL HG21 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1
884 . 1 1 105 105 VAL HG22 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1
885 . 1 1 105 105 VAL HG23 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1
886 . 1 1 105 105 VAL C C 13 175.373 0.1 . 1 . . . . 105 VAL C . 17620 1
887 . 1 1 105 105 VAL CA C 13 61.127 0.1 . 1 . . . . 105 VAL CA . 17620 1
888 . 1 1 105 105 VAL CB C 13 33.822 0.1 . 1 . . . . 105 VAL CB . 17620 1
889 . 1 1 105 105 VAL CG1 C 13 20.257 0.1 . 2 . . . . 105 VAL CG1 . 17620 1
890 . 1 1 105 105 VAL CG2 C 13 19.973 0.1 . 2 . . . . 105 VAL CG2 . 17620 1
891 . 1 1 105 105 VAL N N 15 122.381 0.1 . 1 . . . . 105 VAL N . 17620 1
892 . 1 1 106 106 LEU H H 1 8.444 0.02 . 1 . . . . 106 LEU H . 17620 1
893 . 1 1 106 106 LEU HA H 1 4.348 0.02 . 1 . . . . 106 LEU HA . 17620 1
894 . 1 1 106 106 LEU HB2 H 1 1.298 0.02 . 2 . . . . 106 LEU HB . 17620 1
895 . 1 1 106 106 LEU HB3 H 1 1.298 0.02 . 2 . . . . 106 LEU HB . 17620 1
896 . 1 1 106 106 LEU HG H 1 1.417 0.02 . 1 . . . . 106 LEU HG . 17620 1
897 . 1 1 106 106 LEU HD11 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
898 . 1 1 106 106 LEU HD12 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
899 . 1 1 106 106 LEU HD13 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
900 . 1 1 106 106 LEU HD21 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
901 . 1 1 106 106 LEU HD22 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
902 . 1 1 106 106 LEU HD23 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1
903 . 1 1 106 106 LEU C C 13 176.854 0.1 . 1 . . . . 106 LEU C . 17620 1
904 . 1 1 106 106 LEU CA C 13 54.210 0.1 . 1 . . . . 106 LEU CA . 17620 1
905 . 1 1 106 106 LEU CB C 13 43.091 0.1 . 1 . . . . 106 LEU CB . 17620 1
906 . 1 1 106 106 LEU CG C 13 26.791 0.1 . 1 . . . . 106 LEU CG . 17620 1
907 . 1 1 106 106 LEU CD1 C 13 24.919 0.1 . 2 . . . . 106 LEU CD1 . 17620 1
908 . 1 1 106 106 LEU CD2 C 13 22.446 0.1 . 2 . . . . 106 LEU CD2 . 17620 1
909 . 1 1 106 106 LEU N N 15 128.231 0.1 . 1 . . . . 106 LEU N . 17620 1
910 . 1 1 107 107 LEU H H 1 8.442 0.02 . 1 . . . . 107 LEU H . 17620 1
911 . 1 1 107 107 LEU HA H 1 4.407 0.02 . 1 . . . . 107 LEU HA . 17620 1
912 . 1 1 107 107 LEU HB2 H 1 1.502 0.02 . 2 . . . . 107 LEU HB . 17620 1
913 . 1 1 107 107 LEU HB3 H 1 1.502 0.02 . 2 . . . . 107 LEU HB . 17620 1
914 . 1 1 107 107 LEU HG H 1 1.584 0.02 . 1 . . . . 107 LEU HG . 17620 1
915 . 1 1 107 107 LEU HD11 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1
916 . 1 1 107 107 LEU HD12 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1
917 . 1 1 107 107 LEU HD13 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1
918 . 1 1 107 107 LEU HD21 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1
919 . 1 1 107 107 LEU HD22 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1
920 . 1 1 107 107 LEU HD23 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1
921 . 1 1 107 107 LEU C C 13 177.247 0.1 . 1 . . . . 107 LEU C . 17620 1
922 . 1 1 107 107 LEU CA C 13 54.671 0.1 . 1 . . . . 107 LEU CA . 17620 1
923 . 1 1 107 107 LEU CB C 13 42.892 0.1 . 1 . . . . 107 LEU CB . 17620 1
924 . 1 1 107 107 LEU CG C 13 27.259 0.1 . 1 . . . . 107 LEU CG . 17620 1
925 . 1 1 107 107 LEU CD1 C 13 24.518 0.1 . 2 . . . . 107 LEU CD1 . 17620 1
926 . 1 1 107 107 LEU CD2 C 13 23.582 0.1 . 2 . . . . 107 LEU CD2 . 17620 1
927 . 1 1 107 107 LEU N N 15 123.596 0.1 . 1 . . . . 107 LEU N . 17620 1
928 . 1 1 108 108 GLU H H 1 8.325 0.02 . 1 . . . . 108 GLU H . 17620 1
929 . 1 1 108 108 GLU HA H 1 4.281 0.02 . 1 . . . . 108 GLU HA . 17620 1
930 . 1 1 108 108 GLU HB2 H 1 1.820 0.02 . 2 . . . . 108 GLU HB . 17620 1
931 . 1 1 108 108 GLU HB3 H 1 1.820 0.02 . 2 . . . . 108 GLU HB . 17620 1
932 . 1 1 108 108 GLU HG2 H 1 1.952 0.02 . 2 . . . . 108 GLU HG . 17620 1
933 . 1 1 108 108 GLU HG3 H 1 1.952 0.02 . 2 . . . . 108 GLU HG . 17620 1
934 . 1 1 108 108 GLU C C 13 176.414 0.1 . 1 . . . . 108 GLU C . 17620 1
935 . 1 1 108 108 GLU CA C 13 56.837 0.1 . 1 . . . . 108 GLU CA . 17620 1
936 . 1 1 108 108 GLU CB C 13 30.379 0.1 . 1 . . . . 108 GLU CB . 17620 1
937 . 1 1 108 108 GLU CG C 13 43.367 0.1 . 1 . . . . 108 GLU CG . 17620 1
938 . 1 1 108 108 GLU N N 15 121.290 0.1 . 1 . . . . 108 GLU N . 17620 1
939 . 1 1 109 109 HIS H H 1 7.331 0.02 . 1 . . . . 109 HIS H . 17620 1
940 . 1 1 109 109 HIS HA H 1 4.744 0.02 . 1 . . . . 109 HIS HA . 17620 1
941 . 1 1 109 109 HIS HB2 H 1 1.364 0.02 . 2 . . . . 109 HIS HB2 . 17620 1
942 . 1 1 109 109 HIS HB3 H 1 1.833 0.02 . 2 . . . . 109 HIS HB3 . 17620 1
943 . 1 1 109 109 HIS C C 13 176.275 0.1 . 1 . . . . 109 HIS C . 17620 1
944 . 1 1 109 109 HIS CA C 13 55.227 0.1 . 1 . . . . 109 HIS CA . 17620 1
945 . 1 1 109 109 HIS CB C 13 33.623 0.1 . 1 . . . . 109 HIS CB . 17620 1
946 . 1 1 109 109 HIS N N 15 117.105 0.1 . 1 . . . . 109 HIS N . 17620 1
947 . 1 1 110 110 HIS H H 1 7.332 0.02 . 1 . . . . 110 HIS H . 17620 1
948 . 1 1 110 110 HIS HA H 1 3.097 0.02 . 1 . . . . 110 HIS HA . 17620 1
949 . 1 1 110 110 HIS HB2 H 1 2.031 0.02 . 2 . . . . 110 HIS HB . 17620 1
950 . 1 1 110 110 HIS HB3 H 1 2.031 0.02 . 2 . . . . 110 HIS HB . 17620 1
951 . 1 1 110 110 HIS C C 13 176.993 0.1 . 1 . . . . 110 HIS C . 17620 1
952 . 1 1 110 110 HIS CA C 13 59.385 0.1 . 1 . . . . 110 HIS CA . 17620 1
953 . 1 1 110 110 HIS CB C 13 30.631 0.1 . 1 . . . . 110 HIS CB . 17620 1
954 . 1 1 110 110 HIS N N 15 119.894 0.1 . 1 . . . . 110 HIS N . 17620 1
955 . 1 1 111 111 HIS H H 1 8.180 0.02 . 1 . . . . 111 HIS H . 17620 1
956 . 1 1 111 111 HIS HA H 1 4.369 0.02 . 1 . . . . 111 HIS HA . 17620 1
957 . 1 1 111 111 HIS HB2 H 1 1.857 0.02 . 2 . . . . 111 HIS HB2 . 17620 1
958 . 1 1 111 111 HIS HB3 H 1 1.658 0.02 . 2 . . . . 111 HIS HB3 . 17620 1
959 . 1 1 111 111 HIS CA C 13 56.594 0.1 . 1 . . . . 111 HIS CA . 17620 1
960 . 1 1 111 111 HIS CB C 13 31.268 0.1 . 1 . . . . 111 HIS CB . 17620 1
961 . 1 1 111 111 HIS N N 15 120.215 0.1 . 1 . . . . 111 HIS N . 17620 1
962 . 1 1 112 112 HIS H H 1 8.422 0.02 . 1 . . . . 112 HIS H . 17620 1
963 . 1 1 112 112 HIS HA H 1 4.492 0.02 . 1 . . . . 112 HIS HA . 17620 1
964 . 1 1 112 112 HIS HB2 H 1 3.050 0.02 . 2 . . . . 112 HIS HB . 17620 1
965 . 1 1 112 112 HIS HB3 H 1 3.050 0.02 . 2 . . . . 112 HIS HB . 17620 1
966 . 1 1 112 112 HIS C C 13 174.424 0.1 . 1 . . . . 112 HIS C . 17620 1
967 . 1 1 112 112 HIS CA C 13 56.017 0.1 . 1 . . . . 112 HIS CA . 17620 1
968 . 1 1 112 112 HIS CB C 13 29.187 0.1 . 1 . . . . 112 HIS CB . 17620 1
969 . 1 1 112 112 HIS N N 15 119.747 0.1 . 1 . . . . 112 HIS N . 17620 1
970 . 1 1 113 113 HIS H H 1 8.170 0.02 . 1 . . . . 113 HIS H . 17620 1
971 . 1 1 113 113 HIS HA H 1 4.361 0.02 . 1 . . . . 113 HIS HA . 17620 1
972 . 1 1 113 113 HIS HB2 H 1 3.158 0.02 . 2 . . . . 113 HIS HB2 . 17620 1
973 . 1 1 113 113 HIS HB3 H 1 3.014 0.02 . 2 . . . . 113 HIS HB3 . 17620 1
974 . 1 1 113 113 HIS CA C 13 57.828 0.1 . 1 . . . . 113 HIS CA . 17620 1
975 . 1 1 113 113 HIS CB C 13 30.631 0.1 . 1 . . . . 113 HIS CB . 17620 1
976 . 1 1 113 113 HIS N N 15 125.021 0.1 . 1 . . . . 113 HIS N . 17620 1
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