Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51790
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name DRB7.2M
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details
;
The amide N and amid H chemical shifts are reported for the 1H-15N TROSY-HSQC
with apparent ~ 45 Hz shift in both N and H dimension.
;
_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 TROSY' . . . 51790 1
2 '3D HNCO' . . . 51790 1
3 '3D HN(CA)CO' . . . 51790 1
4 '3D HN(COCA)CB' . . . 51790 1
5 '3D HN(CA)CB' . . . 51790 1
6 '3D HN(CO)CA' . . . 51790 1
7 '3D HNCA' . . . 51790 1
8 '3D H(CCO)NH TOCSY' . . . 51790 1
9 '3D (H)C(CO)NH-TOCSY' . . . 51790 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 $software_1 . . 51790 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 4 4 THR H H 1 8.368 0.020 . 1 . . . . . 71 THR H . 51790 1
2 . 1 . 1 4 4 THR C C 13 174.654 0.3 . 1 . . . . . 71 THR C . 51790 1
3 . 1 . 1 4 4 THR CA C 13 61.554 0.3 . 1 . . . . . 71 THR CA . 51790 1
4 . 1 . 1 4 4 THR CB C 13 68.938 0.3 . 1 . . . . . 71 THR CB . 51790 1
5 . 1 . 1 4 4 THR N N 15 116.863 0.3 . 1 . . . . . 71 THR N . 51790 1
6 . 1 . 1 5 5 THR H H 1 7.680 0.020 . 1 . . . . . 72 THR H . 51790 1
7 . 1 . 1 5 5 THR C C 13 172.257 0.3 . 1 . . . . . 72 THR C . 51790 1
8 . 1 . 1 5 5 THR CA C 13 57.667 0.3 . 1 . . . . . 72 THR CA . 51790 1
9 . 1 . 1 5 5 THR CB C 13 69.844 0.3 . 1 . . . . . 72 THR CB . 51790 1
10 . 1 . 1 5 5 THR N N 15 119.479 0.3 . 1 . . . . . 72 THR N . 51790 1
11 . 1 . 1 7 7 PRO HA H 1 4.409 0.020 . 1 . . . . . 74 PRO HA . 51790 1
12 . 1 . 1 7 7 PRO HB2 H 1 2.186 0.020 . 2 . . . . . 74 PRO HB2 . 51790 1
13 . 1 . 1 7 7 PRO HB3 H 1 2.204 0.020 . 2 . . . . . 74 PRO HB3 . 51790 1
14 . 1 . 1 7 7 PRO HG2 H 1 1.902 0.020 . 2 . . . . . 74 PRO HG2 . 51790 1
15 . 1 . 1 7 7 PRO HG3 H 1 1.887 0.020 . 2 . . . . . 74 PRO HG3 . 51790 1
16 . 1 . 1 7 7 PRO HD2 H 1 3.656 0.020 . 2 . . . . . 74 PRO HD2 . 51790 1
17 . 1 . 1 7 7 PRO HD3 H 1 3.668 0.020 . 2 . . . . . 74 PRO HD3 . 51790 1
18 . 1 . 1 7 7 PRO C C 13 176.933 0.3 . 1 . . . . . 74 PRO C . 51790 1
19 . 1 . 1 7 7 PRO CA C 13 62.446 0.3 . 1 . . . . . 74 PRO CA . 51790 1
20 . 1 . 1 7 7 PRO CB C 13 31.062 0.3 . 1 . . . . . 74 PRO CB . 51790 1
21 . 1 . 1 7 7 PRO CG C 13 26.488 0.3 . 1 . . . . . 74 PRO CG . 51790 1
22 . 1 . 1 7 7 PRO CD C 13 49.847 0.3 . 1 . . . . . 74 PRO CD . 51790 1
23 . 1 . 1 8 8 THR H H 1 8.180 0.020 . 1 . . . . . 75 THR H . 51790 1
24 . 1 . 1 8 8 THR HA H 1 4.344 0.020 . 1 . . . . . 75 THR HA . 51790 1
25 . 1 . 1 8 8 THR HB H 1 4.064 0.020 . 1 . . . . . 75 THR HB . 51790 1
26 . 1 . 1 8 8 THR HG21 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1
27 . 1 . 1 8 8 THR HG22 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1
28 . 1 . 1 8 8 THR HG23 H 1 1.125 0.020 . 1 . . . . . 75 THR HG2 . 51790 1
29 . 1 . 1 8 8 THR C C 13 174.728 0.3 . 1 . . . . . 75 THR C . 51790 1
30 . 1 . 1 8 8 THR CA C 13 60.994 0.3 . 1 . . . . . 75 THR CA . 51790 1
31 . 1 . 1 8 8 THR CB C 13 69.162 0.3 . 1 . . . . . 75 THR CB . 51790 1
32 . 1 . 1 8 8 THR CG2 C 13 20.674 0.3 . 1 . . . . . 75 THR CG2 . 51790 1
33 . 1 . 1 8 8 THR N N 15 116.081 0.3 . 1 . . . . . 75 THR N . 51790 1
34 . 1 . 1 9 9 THR H H 1 8.071 0.020 . 1 . . . . . 76 THR H . 51790 1
35 . 1 . 1 9 9 THR HA H 1 4.300 0.020 . 1 . . . . . 76 THR HA . 51790 1
36 . 1 . 1 9 9 THR HG21 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1
37 . 1 . 1 9 9 THR HG22 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1
38 . 1 . 1 9 9 THR HG23 H 1 1.102 0.020 . 1 . . . . . 76 THR HG2 . 51790 1
39 . 1 . 1 9 9 THR C C 13 174.667 0.3 . 1 . . . . . 76 THR C . 51790 1
40 . 1 . 1 9 9 THR CA C 13 61.175 0.3 . 1 . . . . . 76 THR CA . 51790 1
41 . 1 . 1 9 9 THR CB C 13 69.155 0.3 . 1 . . . . . 76 THR CB . 51790 1
42 . 1 . 1 9 9 THR CG2 C 13 20.736 0.3 . 1 . . . . . 76 THR CG2 . 51790 1
43 . 1 . 1 9 9 THR N N 15 117.577 0.3 . 1 . . . . . 76 THR N . 51790 1
44 . 1 . 1 10 10 GLU H H 1 8.352 0.020 . 1 . . . . . 77 GLU H . 51790 1
45 . 1 . 1 10 10 GLU HA H 1 4.153 0.020 . 1 . . . . . 77 GLU HA . 51790 1
46 . 1 . 1 10 10 GLU HB2 H 1 1.842 0.020 . 2 . . . . . 77 GLU HB2 . 51790 1
47 . 1 . 1 10 10 GLU HB3 H 1 1.856 0.020 . 2 . . . . . 77 GLU HB3 . 51790 1
48 . 1 . 1 10 10 GLU HG2 H 1 2.138 0.020 . 2 . . . . . 77 GLU HG2 . 51790 1
49 . 1 . 1 10 10 GLU HG3 H 1 2.151 0.020 . 2 . . . . . 77 GLU HG3 . 51790 1
50 . 1 . 1 10 10 GLU C C 13 176.645 0.3 . 1 . . . . . 77 GLU C . 51790 1
51 . 1 . 1 10 10 GLU CA C 13 56.387 0.3 . 1 . . . . . 77 GLU CA . 51790 1
52 . 1 . 1 10 10 GLU CB C 13 28.985 0.3 . 1 . . . . . 77 GLU CB . 51790 1
53 . 1 . 1 10 10 GLU CG C 13 35.433 0.3 . 1 . . . . . 77 GLU CG . 51790 1
54 . 1 . 1 10 10 GLU N N 15 124.624 0.3 . 1 . . . . . 77 GLU N . 51790 1
55 . 1 . 1 11 11 GLU H H 1 8.251 0.020 . 1 . . . . . 78 GLU H . 51790 1
56 . 1 . 1 11 11 GLU HA H 1 4.617 0.020 . 1 . . . . . 78 GLU HA . 51790 1
57 . 1 . 1 11 11 GLU HB2 H 1 1.843 0.020 . 1 . . . . . 78 GLU HB2 . 51790 1
58 . 1 . 1 11 11 GLU HG2 H 1 2.151 0.020 . 1 . . . . . 78 GLU HG2 . 51790 1
59 . 1 . 1 11 11 GLU C C 13 176.902 0.3 . 1 . . . . . 78 GLU C . 51790 1
60 . 1 . 1 11 11 GLU CA C 13 56.488 0.3 . 1 . . . . . 78 GLU CA . 51790 1
61 . 1 . 1 11 11 GLU CB C 13 29.227 0.3 . 1 . . . . . 78 GLU CB . 51790 1
62 . 1 . 1 11 11 GLU CG C 13 35.449 0.3 . 1 . . . . . 78 GLU CG . 51790 1
63 . 1 . 1 11 11 GLU N N 15 123.086 0.3 . 1 . . . . . 78 GLU N . 51790 1
64 . 1 . 1 12 12 GLU H H 1 8.231 0.020 . 1 . . . . . 79 GLU H . 51790 1
65 . 1 . 1 12 12 GLU HA H 1 4.159 0.020 . 1 . . . . . 79 GLU HA . 51790 1
66 . 1 . 1 12 12 GLU HB2 H 1 1.935 0.020 . 2 . . . . . 79 GLU HB2 . 51790 1
67 . 1 . 1 12 12 GLU HB3 H 1 1.901 0.020 . 2 . . . . . 79 GLU HB3 . 51790 1
68 . 1 . 1 12 12 GLU HG2 H 1 2.153 0.020 . 2 . . . . . 79 GLU HG2 . 51790 1
69 . 1 . 1 12 12 GLU HG3 H 1 2.174 0.020 . 2 . . . . . 79 GLU HG3 . 51790 1
70 . 1 . 1 12 12 GLU C C 13 177.023 0.3 . 1 . . . . . 79 GLU C . 51790 1
71 . 1 . 1 12 12 GLU CA C 13 56.406 0.3 . 1 . . . . . 79 GLU CA . 51790 1
72 . 1 . 1 12 12 GLU CB C 13 28.965 0.3 . 1 . . . . . 79 GLU CB . 51790 1
73 . 1 . 1 12 12 GLU CG C 13 35.449 0.3 . 1 . . . . . 79 GLU CG . 51790 1
74 . 1 . 1 12 12 GLU N N 15 123.172 0.3 . 1 . . . . . 79 GLU N . 51790 1
75 . 1 . 1 13 13 THR H H 1 7.999 0.020 . 1 . . . . . 80 THR H . 51790 1
76 . 1 . 1 13 13 THR HA H 1 4.612 0.020 . 1 . . . . . 80 THR HA . 51790 1
77 . 1 . 1 13 13 THR HB H 1 4.165 0.020 . 1 . . . . . 80 THR HB . 51790 1
78 . 1 . 1 13 13 THR HG21 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1
79 . 1 . 1 13 13 THR HG22 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1
80 . 1 . 1 13 13 THR HG23 H 1 1.098 0.020 . 1 . . . . . 80 THR HG2 . 51790 1
81 . 1 . 1 13 13 THR C C 13 174.824 0.3 . 1 . . . . . 80 THR C . 51790 1
82 . 1 . 1 13 13 THR CA C 13 62.141 0.3 . 1 . . . . . 80 THR CA . 51790 1
83 . 1 . 1 13 13 THR CB C 13 68.832 0.3 . 1 . . . . . 80 THR CB . 51790 1
84 . 1 . 1 13 13 THR CG2 C 13 20.753 0.3 . 1 . . . . . 80 THR CG2 . 51790 1
85 . 1 . 1 13 13 THR N N 15 116.521 0.3 . 1 . . . . . 80 THR N . 51790 1
86 . 1 . 1 14 14 GLN H H 1 8.157 0.020 . 1 . . . . . 81 GLN H . 51790 1
87 . 1 . 1 14 14 GLN HA H 1 4.237 0.020 . 1 . . . . . 81 GLN HA . 51790 1
88 . 1 . 1 14 14 GLN HB2 H 1 1.875 0.020 . 1 . . . . . 81 GLN HB2 . 51790 1
89 . 1 . 1 14 14 GLN HG2 H 1 2.262 0.020 . 2 . . . . . 81 GLN HG2 . 51790 1
90 . 1 . 1 14 14 GLN HG3 H 1 2.273 0.020 . 2 . . . . . 81 GLN HG3 . 51790 1
91 . 1 . 1 14 14 GLN C C 13 176.189 0.3 . 1 . . . . . 81 GLN C . 51790 1
92 . 1 . 1 14 14 GLN CA C 13 55.501 0.3 . 1 . . . . . 81 GLN CA . 51790 1
93 . 1 . 1 14 14 GLN CB C 13 27.988 0.3 . 1 . . . . . 81 GLN CB . 51790 1
94 . 1 . 1 14 14 GLN CG C 13 32.921 0.3 . 1 . . . . . 81 GLN CG . 51790 1
95 . 1 . 1 14 14 GLN N N 15 123.495 0.3 . 1 . . . . . 81 GLN N . 51790 1
96 . 1 . 1 15 15 ARG H H 1 8.102 0.020 . 1 . . . . . 82 ARG H . 51790 1
97 . 1 . 1 15 15 ARG HA H 1 4.614 0.020 . 1 . . . . . 82 ARG HA . 51790 1
98 . 1 . 1 15 15 ARG HB2 H 1 1.595 0.020 . 2 . . . . . 82 ARG HB2 . 51790 1
99 . 1 . 1 15 15 ARG HB3 H 1 1.630 0.020 . 2 . . . . . 82 ARG HB3 . 51790 1
100 . 1 . 1 15 15 ARG HD2 H 1 3.100 0.020 . 2 . . . . . 82 ARG HD2 . 51790 1
101 . 1 . 1 15 15 ARG HD3 H 1 3.092 0.020 . 2 . . . . . 82 ARG HD3 . 51790 1
102 . 1 . 1 15 15 ARG C C 13 176.170 0.3 . 1 . . . . . 82 ARG C . 51790 1
103 . 1 . 1 15 15 ARG CA C 13 55.865 0.3 . 1 . . . . . 82 ARG CA . 51790 1
104 . 1 . 1 15 15 ARG CB C 13 29.522 0.3 . 1 . . . . . 82 ARG CB . 51790 1
105 . 1 . 1 15 15 ARG CG C 13 26.215 0.3 . 1 . . . . . 82 ARG CG . 51790 1
106 . 1 . 1 15 15 ARG CD C 13 42.458 0.3 . 1 . . . . . 82 ARG CD . 51790 1
107 . 1 . 1 15 15 ARG N N 15 123.383 0.3 . 1 . . . . . 82 ARG N . 51790 1
108 . 1 . 1 16 16 SER H H 1 8.108 0.020 . 1 . . . . . 83 SER H . 51790 1
109 . 1 . 1 16 16 SER C C 13 174.074 0.3 . 1 . . . . . 83 SER C . 51790 1
110 . 1 . 1 16 16 SER CA C 13 57.488 0.3 . 1 . . . . . 83 SER CA . 51790 1
111 . 1 . 1 16 16 SER CB C 13 63.313 0.3 . 1 . . . . . 83 SER CB . 51790 1
112 . 1 . 1 16 16 SER N N 15 117.629 0.3 . 1 . . . . . 83 SER N . 51790 1
113 . 1 . 1 17 17 SER H H 1 8.227 0.020 . 1 . . . . . 84 SER H . 51790 1
114 . 1 . 1 17 17 SER HA H 1 4.365 0.020 . 1 . . . . . 84 SER HA . 51790 1
115 . 1 . 1 17 17 SER C C 13 174.651 0.3 . 1 . . . . . 84 SER C . 51790 1
116 . 1 . 1 17 17 SER CA C 13 57.251 0.3 . 1 . . . . . 84 SER CA . 51790 1
117 . 1 . 1 17 17 SER CB C 13 63.616 0.3 . 1 . . . . . 84 SER CB . 51790 1
118 . 1 . 1 17 17 SER N N 15 120.665 0.3 . 1 . . . . . 84 SER N . 51790 1
119 . 1 . 1 18 18 ALA H H 1 10.925 0.020 . 1 . . . . . 85 ALA H . 51790 1
120 . 1 . 1 18 18 ALA HA H 1 4.315 0.020 . 1 . . . . . 85 ALA HA . 51790 1
121 . 1 . 1 18 18 ALA HB1 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1
122 . 1 . 1 18 18 ALA HB2 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1
123 . 1 . 1 18 18 ALA HB3 H 1 1.259 0.020 . 1 . . . . . 85 ALA HB . 51790 1
124 . 1 . 1 18 18 ALA C C 13 180.024 0.3 . 1 . . . . . 85 ALA C . 51790 1
125 . 1 . 1 18 18 ALA CA C 13 54.601 0.3 . 1 . . . . . 85 ALA CA . 51790 1
126 . 1 . 1 18 18 ALA CB C 13 17.077 0.3 . 1 . . . . . 85 ALA CB . 51790 1
127 . 1 . 1 18 18 ALA N N 15 131.959 0.3 . 1 . . . . . 85 ALA N . 51790 1
128 . 1 . 1 19 19 LYS H H 1 8.687 0.020 . 1 . . . . . 86 LYS H . 51790 1
129 . 1 . 1 19 19 LYS HA H 1 3.755 0.020 . 1 . . . . . 86 LYS HA . 51790 1
130 . 1 . 1 19 19 LYS HB2 H 1 1.716 0.020 . 1 . . . . . 86 LYS HB2 . 51790 1
131 . 1 . 1 19 19 LYS HG2 H 1 1.243 0.020 . 1 . . . . . 86 LYS HG2 . 51790 1
132 . 1 . 1 19 19 LYS HD2 H 1 1.608 0.020 . 1 . . . . . 86 LYS HD2 . 51790 1
133 . 1 . 1 19 19 LYS C C 13 180.471 0.3 . 1 . . . . . 86 LYS C . 51790 1
134 . 1 . 1 19 19 LYS CA C 13 59.612 0.3 . 1 . . . . . 86 LYS CA . 51790 1
135 . 1 . 1 19 19 LYS CB C 13 31.923 0.3 . 1 . . . . . 86 LYS CB . 51790 1
136 . 1 . 1 19 19 LYS CG C 13 23.476 0.3 . 1 . . . . . 86 LYS CG . 51790 1
137 . 1 . 1 19 19 LYS N N 15 120.116 0.3 . 1 . . . . . 86 LYS N . 51790 1
138 . 1 . 1 20 20 SER H H 1 8.182 0.020 . 1 . . . . . 87 SER H . 51790 1
139 . 1 . 1 20 20 SER HA H 1 3.832 0.020 . 1 . . . . . 87 SER HA . 51790 1
140 . 1 . 1 20 20 SER CA C 13 61.204 0.3 . 1 . . . . . 87 SER CA . 51790 1
141 . 1 . 1 20 20 SER CB C 13 62.020 0.3 . 1 . . . . . 87 SER CB . 51790 1
142 . 1 . 1 20 20 SER N N 15 119.079 0.3 . 1 . . . . . 87 SER N . 51790 1
143 . 1 . 1 21 21 GLN H H 1 8.344 0.020 . 1 . . . . . 88 GLN H . 51790 1
144 . 1 . 1 21 21 GLN HA H 1 4.626 0.020 . 1 . . . . . 88 GLN HA . 51790 1
145 . 1 . 1 21 21 GLN C C 13 179.192 0.3 . 1 . . . . . 88 GLN C . 51790 1
146 . 1 . 1 21 21 GLN CA C 13 58.705 0.3 . 1 . . . . . 88 GLN CA . 51790 1
147 . 1 . 1 21 21 GLN N N 15 124.261 0.3 . 1 . . . . . 88 GLN N . 51790 1
148 . 1 . 1 22 22 LEU H H 1 8.802 0.020 . 1 . . . . . 89 LEU H . 51790 1
149 . 1 . 1 22 22 LEU HA H 1 4.013 0.020 . 1 . . . . . 89 LEU HA . 51790 1
150 . 1 . 1 22 22 LEU HB2 H 1 1.945 0.020 . 1 . . . . . 89 LEU HB2 . 51790 1
151 . 1 . 1 22 22 LEU HD11 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1
152 . 1 . 1 22 22 LEU HD12 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1
153 . 1 . 1 22 22 LEU HD13 H 1 0.738 0.020 . 2 . . . . . 89 LEU HD1 . 51790 1
154 . 1 . 1 22 22 LEU HD21 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1
155 . 1 . 1 22 22 LEU HD22 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1
156 . 1 . 1 22 22 LEU HD23 H 1 0.751 0.020 . 2 . . . . . 89 LEU HD2 . 51790 1
157 . 1 . 1 22 22 LEU C C 13 177.874 0.3 . 1 . . . . . 89 LEU C . 51790 1
158 . 1 . 1 22 22 LEU CA C 13 57.184 0.3 . 1 . . . . . 89 LEU CA . 51790 1
159 . 1 . 1 22 22 LEU CB C 13 40.226 0.3 . 1 . . . . . 89 LEU CB . 51790 1
160 . 1 . 1 22 22 LEU N N 15 122.749 0.3 . 1 . . . . . 89 LEU N . 51790 1
161 . 1 . 1 23 23 TYR H H 1 7.977 0.020 . 1 . . . . . 90 TYR H . 51790 1
162 . 1 . 1 23 23 TYR HA H 1 4.612 0.020 . 1 . . . . . 90 TYR HA . 51790 1
163 . 1 . 1 23 23 TYR HB2 H 1 3.216 0.020 . 2 . . . . . 90 TYR HB2 . 51790 1
164 . 1 . 1 23 23 TYR HB3 H 1 3.228 0.020 . 2 . . . . . 90 TYR HB3 . 51790 1
165 . 1 . 1 23 23 TYR HD1 H 1 7.144 0.020 . 1 . . . . . 90 TYR HD1 . 51790 1
166 . 1 . 1 23 23 TYR HD2 H 1 7.144 0.020 . 1 . . . . . 90 TYR HD2 . 51790 1
167 . 1 . 1 23 23 TYR C C 13 178.747 0.3 . 1 . . . . . 90 TYR C . 51790 1
168 . 1 . 1 23 23 TYR CA C 13 61.885 0.3 . 1 . . . . . 90 TYR CA . 51790 1
169 . 1 . 1 23 23 TYR CB C 13 36.950 0.3 . 1 . . . . . 90 TYR CB . 51790 1
170 . 1 . 1 23 23 TYR N N 15 121.809 0.3 . 1 . . . . . 90 TYR N . 51790 1
171 . 1 . 1 24 24 ASN H H 1 8.273 0.020 . 1 . . . . . 91 ASN H . 51790 1
172 . 1 . 1 24 24 ASN HA H 1 4.303 0.020 . 1 . . . . . 91 ASN HA . 51790 1
173 . 1 . 1 24 24 ASN HB2 H 1 2.796 0.020 . 2 . . . . . 91 ASN HB2 . 51790 1
174 . 1 . 1 24 24 ASN HB3 H 1 2.781 0.020 . 2 . . . . . 91 ASN HB3 . 51790 1
175 . 1 . 1 24 24 ASN C C 13 176.095 0.3 . 1 . . . . . 91 ASN C . 51790 1
176 . 1 . 1 24 24 ASN CA C 13 55.956 0.3 . 1 . . . . . 91 ASN CA . 51790 1
177 . 1 . 1 24 24 ASN CB C 13 37.449 0.3 . 1 . . . . . 91 ASN CB . 51790 1
178 . 1 . 1 24 24 ASN N N 15 120.157 0.3 . 1 . . . . . 91 ASN N . 51790 1
179 . 1 . 1 25 25 LEU H H 1 7.961 0.020 . 1 . . . . . 92 LEU H . 51790 1
180 . 1 . 1 25 25 LEU HA H 1 4.357 0.020 . 1 . . . . . 92 LEU HA . 51790 1
181 . 1 . 1 25 25 LEU HB2 H 1 1.664 0.020 . 2 . . . . . 92 LEU HB2 . 51790 1
182 . 1 . 1 25 25 LEU HB3 H 1 1.644 0.020 . 2 . . . . . 92 LEU HB3 . 51790 1
183 . 1 . 1 25 25 LEU HD11 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1
184 . 1 . 1 25 25 LEU HD12 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1
185 . 1 . 1 25 25 LEU HD13 H 1 0.597 0.020 . 2 . . . . . 92 LEU HD1 . 51790 1
186 . 1 . 1 25 25 LEU HD21 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1
187 . 1 . 1 25 25 LEU HD22 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1
188 . 1 . 1 25 25 LEU HD23 H 1 0.613 0.020 . 2 . . . . . 92 LEU HD2 . 51790 1
189 . 1 . 1 25 25 LEU C C 13 178.311 0.3 . 1 . . . . . 92 LEU C . 51790 1
190 . 1 . 1 25 25 LEU CA C 13 58.114 0.3 . 1 . . . . . 92 LEU CA . 51790 1
191 . 1 . 1 25 25 LEU CB C 13 40.856 0.3 . 1 . . . . . 92 LEU CB . 51790 1
192 . 1 . 1 25 25 LEU CG C 13 26.554 0.3 . 1 . . . . . 92 LEU CG . 51790 1
193 . 1 . 1 25 25 LEU CD1 C 13 25.233 0.3 . 1 . . . . . 92 LEU CD1 . 51790 1
194 . 1 . 1 25 25 LEU CD2 C 13 25.194 0.3 . 1 . . . . . 92 LEU CD2 . 51790 1
195 . 1 . 1 25 25 LEU N N 15 123.521 0.3 . 1 . . . . . 92 LEU N . 51790 1
196 . 1 . 1 26 26 CYS H H 1 7.767 0.020 . 1 . . . . . 93 CYS H . 51790 1
197 . 1 . 1 26 26 CYS HA H 1 4.331 0.020 . 1 . . . . . 93 CYS HA . 51790 1
198 . 1 . 1 26 26 CYS HB2 H 1 2.919 0.020 . 2 . . . . . 93 CYS HB2 . 51790 1
199 . 1 . 1 26 26 CYS HB3 H 1 2.677 0.020 . 2 . . . . . 93 CYS HB3 . 51790 1
200 . 1 . 1 26 26 CYS C C 13 175.884 0.3 . 1 . . . . . 93 CYS C . 51790 1
201 . 1 . 1 26 26 CYS CA C 13 63.285 0.3 . 1 . . . . . 93 CYS CA . 51790 1
202 . 1 . 1 26 26 CYS CB C 13 26.030 0.3 . 1 . . . . . 93 CYS CB . 51790 1
203 . 1 . 1 26 26 CYS N N 15 116.798 0.3 . 1 . . . . . 93 CYS N . 51790 1
204 . 1 . 1 27 27 SER H H 1 7.618 0.020 . 1 . . . . . 94 SER H . 51790 1
205 . 1 . 1 27 27 SER HA H 1 4.192 0.020 . 1 . . . . . 94 SER HA . 51790 1
206 . 1 . 1 27 27 SER HB2 H 1 3.652 0.020 . 1 . . . . . 94 SER HB2 . 51790 1
207 . 1 . 1 27 27 SER CA C 13 60.699 0.3 . 1 . . . . . 94 SER CA . 51790 1
208 . 1 . 1 27 27 SER CB C 13 62.132 0.3 . 1 . . . . . 94 SER CB . 51790 1
209 . 1 . 1 27 27 SER N N 15 114.822 0.3 . 1 . . . . . 94 SER N . 51790 1
210 . 1 . 1 28 28 VAL H H 1 8.094 0.020 . 1 . . . . . 95 VAL H . 51790 1
211 . 1 . 1 28 28 VAL HA H 1 3.532 0.020 . 1 . . . . . 95 VAL HA . 51790 1
212 . 1 . 1 28 28 VAL HB H 1 2.058 0.020 . 1 . . . . . 95 VAL HB . 51790 1
213 . 1 . 1 28 28 VAL HG11 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1
214 . 1 . 1 28 28 VAL HG12 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1
215 . 1 . 1 28 28 VAL HG13 H 1 0.826 0.020 . 2 . . . . . 95 VAL HG1 . 51790 1
216 . 1 . 1 28 28 VAL HG21 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1
217 . 1 . 1 28 28 VAL HG22 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1
218 . 1 . 1 28 28 VAL HG23 H 1 0.811 0.020 . 2 . . . . . 95 VAL HG2 . 51790 1
219 . 1 . 1 28 28 VAL C C 13 177.379 0.3 . 1 . . . . . 95 VAL C . 51790 1
220 . 1 . 1 28 28 VAL CA C 13 64.506 0.3 . 1 . . . . . 95 VAL CA . 51790 1
221 . 1 . 1 28 28 VAL CB C 13 30.371 0.3 . 1 . . . . . 95 VAL CB . 51790 1
222 . 1 . 1 28 28 VAL CG1 C 13 20.142 0.3 . 1 . . . . . 95 VAL CG1 . 51790 1
223 . 1 . 1 28 28 VAL CG2 C 13 21.061 0.3 . 1 . . . . . 95 VAL CG2 . 51790 1
224 . 1 . 1 28 28 VAL N N 15 122.493 0.3 . 1 . . . . . 95 VAL N . 51790 1
225 . 1 . 1 29 29 ARG H H 1 6.897 0.020 . 1 . . . . . 96 ARG H . 51790 1
226 . 1 . 1 29 29 ARG HA H 1 3.639 0.020 . 1 . . . . . 96 ARG HA . 51790 1
227 . 1 . 1 29 29 ARG HB2 H 1 1.846 0.020 . 1 . . . . . 96 ARG HB2 . 51790 1
228 . 1 . 1 29 29 ARG C C 13 174.537 0.3 . 1 . . . . . 96 ARG C . 51790 1
229 . 1 . 1 29 29 ARG CA C 13 54.880 0.3 . 1 . . . . . 96 ARG CA . 51790 1
230 . 1 . 1 29 29 ARG CB C 13 26.217 0.3 . 1 . . . . . 96 ARG CB . 51790 1
231 . 1 . 1 29 29 ARG CD C 13 41.131 0.3 . 1 . . . . . 96 ARG CD . 51790 1
232 . 1 . 1 29 29 ARG N N 15 117.695 0.3 . 1 . . . . . 96 ARG N . 51790 1
233 . 1 . 1 30 30 HIS H H 1 7.377 0.020 . 1 . . . . . 97 HIS H . 51790 1
234 . 1 . 1 30 30 HIS HA H 1 4.116 0.020 . 1 . . . . . 97 HIS HA . 51790 1
235 . 1 . 1 30 30 HIS HB2 H 1 3.289 0.020 . 2 . . . . . 97 HIS HB2 . 51790 1
236 . 1 . 1 30 30 HIS HB3 H 1 3.507 0.020 . 2 . . . . . 97 HIS HB3 . 51790 1
237 . 1 . 1 30 30 HIS C C 13 174.876 0.3 . 1 . . . . . 97 HIS C . 51790 1
238 . 1 . 1 30 30 HIS CA C 13 55.909 0.3 . 1 . . . . . 97 HIS CA . 51790 1
239 . 1 . 1 30 30 HIS CB C 13 24.808 0.3 . 1 . . . . . 97 HIS CB . 51790 1
240 . 1 . 1 30 30 HIS N N 15 114.564 0.3 . 1 . . . . . 97 HIS N . 51790 1
241 . 1 . 1 31 31 TRP H H 1 8.443 0.020 . 1 . . . . . 98 TRP H . 51790 1
242 . 1 . 1 31 31 TRP HA H 1 4.618 0.020 . 1 . . . . . 98 TRP HA . 51790 1
243 . 1 . 1 31 31 TRP HB2 H 1 2.999 0.020 . 2 . . . . . 98 TRP HB2 . 51790 1
244 . 1 . 1 31 31 TRP HB3 H 1 2.914 0.020 . 2 . . . . . 98 TRP HB3 . 51790 1
245 . 1 . 1 31 31 TRP HD1 H 1 7.406 0.020 . 1 . . . . . 98 TRP HD1 . 51790 1
246 . 1 . 1 31 31 TRP HZ3 H 1 6.920 0.020 . 1 . . . . . 98 TRP HZ3 . 51790 1
247 . 1 . 1 31 31 TRP C C 13 176.546 0.3 . 1 . . . . . 98 TRP C . 51790 1
248 . 1 . 1 31 31 TRP CA C 13 52.380 0.3 . 1 . . . . . 98 TRP CA . 51790 1
249 . 1 . 1 31 31 TRP CB C 13 30.801 0.3 . 1 . . . . . 98 TRP CB . 51790 1
250 . 1 . 1 31 31 TRP N N 15 121.818 0.3 . 1 . . . . . 98 TRP N . 51790 1
251 . 1 . 1 32 32 LYS H H 1 8.938 0.020 . 1 . . . . . 99 LYS H . 51790 1
252 . 1 . 1 32 32 LYS HA H 1 4.058 0.020 . 1 . . . . . 99 LYS HA . 51790 1
253 . 1 . 1 32 32 LYS HB2 H 1 1.754 0.020 . 2 . . . . . 99 LYS HB2 . 51790 1
254 . 1 . 1 32 32 LYS HB3 H 1 1.744 0.020 . 2 . . . . . 99 LYS HB3 . 51790 1
255 . 1 . 1 32 32 LYS HG2 H 1 1.486 0.020 . 2 . . . . . 99 LYS HG2 . 51790 1
256 . 1 . 1 32 32 LYS HG3 H 1 1.495 0.020 . 2 . . . . . 99 LYS HG3 . 51790 1
257 . 1 . 1 32 32 LYS HD2 H 1 1.625 0.020 . 2 . . . . . 99 LYS HD2 . 51790 1
258 . 1 . 1 32 32 LYS HD3 H 1 1.637 0.020 . 2 . . . . . 99 LYS HD3 . 51790 1
259 . 1 . 1 32 32 LYS HE2 H 1 2.919 0.020 . 2 . . . . . 99 LYS HE2 . 51790 1
260 . 1 . 1 32 32 LYS HE3 H 1 2.904 0.020 . 2 . . . . . 99 LYS HE3 . 51790 1
261 . 1 . 1 32 32 LYS C C 13 175.882 0.3 . 1 . . . . . 99 LYS C . 51790 1
262 . 1 . 1 32 32 LYS CA C 13 56.387 0.3 . 1 . . . . . 99 LYS CA . 51790 1
263 . 1 . 1 32 32 LYS CB C 13 32.179 0.3 . 1 . . . . . 99 LYS CB . 51790 1
264 . 1 . 1 32 32 LYS CG C 13 24.592 0.3 . 1 . . . . . 99 LYS CG . 51790 1
265 . 1 . 1 32 32 LYS CD C 13 28.782 0.3 . 1 . . . . . 99 LYS CD . 51790 1
266 . 1 . 1 32 32 LYS CE C 13 41.338 0.3 . 1 . . . . . 99 LYS CE . 51790 1
267 . 1 . 1 32 32 LYS N N 15 123.654 0.3 . 1 . . . . . 99 LYS N . 51790 1
268 . 1 . 1 33 33 ALA H H 1 8.086 0.020 . 1 . . . . . 100 ALA H . 51790 1
269 . 1 . 1 33 33 ALA HA H 1 3.949 0.020 . 1 . . . . . 100 ALA HA . 51790 1
270 . 1 . 1 33 33 ALA HB1 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1
271 . 1 . 1 33 33 ALA HB2 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1
272 . 1 . 1 33 33 ALA HB3 H 1 1.313 0.020 . 1 . . . . . 100 ALA HB . 51790 1
273 . 1 . 1 33 33 ALA C C 13 176.403 0.3 . 1 . . . . . 100 ALA C . 51790 1
274 . 1 . 1 33 33 ALA CA C 13 50.299 0.3 . 1 . . . . . 100 ALA CA . 51790 1
275 . 1 . 1 33 33 ALA CB C 13 15.692 0.3 . 1 . . . . . 100 ALA CB . 51790 1
276 . 1 . 1 33 33 ALA N N 15 125.754 0.3 . 1 . . . . . 100 ALA N . 51790 1
277 . 1 . 1 34 34 PRO HA H 1 4.004 0.020 . 1 . . . . . 101 PRO HA . 51790 1
278 . 1 . 1 34 34 PRO HB2 H 1 1.880 0.020 . 1 . . . . . 101 PRO HB2 . 51790 1
279 . 1 . 1 34 34 PRO HG2 H 1 1.641 0.020 . 1 . . . . . 101 PRO HG2 . 51790 1
280 . 1 . 1 34 34 PRO C C 13 174.671 0.3 . 1 . . . . . 101 PRO C . 51790 1
281 . 1 . 1 34 34 PRO CA C 13 62.182 0.3 . 1 . . . . . 101 PRO CA . 51790 1
282 . 1 . 1 34 34 PRO CB C 13 31.486 0.3 . 1 . . . . . 101 PRO CB . 51790 1
283 . 1 . 1 34 34 PRO CG C 13 27.302 0.3 . 1 . . . . . 101 PRO CG . 51790 1
284 . 1 . 1 35 35 LEU H H 1 7.468 0.020 . 1 . . . . . 102 LEU H . 51790 1
285 . 1 . 1 35 35 LEU HA H 1 4.145 0.020 . 1 . . . . . 102 LEU HA . 51790 1
286 . 1 . 1 35 35 LEU HB2 H 1 1.259 0.020 . 2 . . . . . 102 LEU HB2 . 51790 1
287 . 1 . 1 35 35 LEU HB3 H 1 1.335 0.020 . 2 . . . . . 102 LEU HB3 . 51790 1
288 . 1 . 1 35 35 LEU HG H 1 1.537 0.020 . 1 . . . . . 102 LEU HG . 51790 1
289 . 1 . 1 35 35 LEU HD11 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1
290 . 1 . 1 35 35 LEU HD12 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1
291 . 1 . 1 35 35 LEU HD13 H 1 0.787 0.020 . 2 . . . . . 102 LEU HD1 . 51790 1
292 . 1 . 1 35 35 LEU HD21 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1
293 . 1 . 1 35 35 LEU HD22 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1
294 . 1 . 1 35 35 LEU HD23 H 1 0.770 0.020 . 2 . . . . . 102 LEU HD2 . 51790 1
295 . 1 . 1 35 35 LEU C C 13 175.544 0.3 . 1 . . . . . 102 LEU C . 51790 1
296 . 1 . 1 35 35 LEU CA C 13 53.002 0.3 . 1 . . . . . 102 LEU CA . 51790 1
297 . 1 . 1 35 35 LEU CB C 13 43.410 0.3 . 1 . . . . . 102 LEU CB . 51790 1
298 . 1 . 1 35 35 LEU CG C 13 26.671 0.3 . 1 . . . . . 102 LEU CG . 51790 1
299 . 1 . 1 35 35 LEU CD1 C 13 23.487 0.3 . 1 . . . . . 102 LEU CD1 . 51790 1
300 . 1 . 1 35 35 LEU CD2 C 13 23.569 0.3 . 1 . . . . . 102 LEU CD2 . 51790 1
301 . 1 . 1 35 35 LEU N N 15 125.083 0.3 . 1 . . . . . 102 LEU N . 51790 1
302 . 1 . 1 36 36 TYR H H 1 8.865 0.020 . 1 . . . . . 103 TYR H . 51790 1
303 . 1 . 1 36 36 TYR HA H 1 4.615 0.020 . 1 . . . . . 103 TYR HA . 51790 1
304 . 1 . 1 36 36 TYR HB2 H 1 2.734 0.020 . 2 . . . . . 103 TYR HB2 . 51790 1
305 . 1 . 1 36 36 TYR HB3 H 1 2.708 0.020 . 2 . . . . . 103 TYR HB3 . 51790 1
306 . 1 . 1 36 36 TYR HD1 H 1 6.861 0.020 . 1 . . . . . 103 TYR HD1 . 51790 1
307 . 1 . 1 36 36 TYR HD2 H 1 6.861 0.020 . 1 . . . . . 103 TYR HD2 . 51790 1
308 . 1 . 1 36 36 TYR C C 13 175.385 0.3 . 1 . . . . . 103 TYR C . 51790 1
309 . 1 . 1 36 36 TYR CA C 13 57.640 0.3 . 1 . . . . . 103 TYR CA . 51790 1
310 . 1 . 1 36 36 TYR CB C 13 38.879 0.3 . 1 . . . . . 103 TYR CB . 51790 1
311 . 1 . 1 36 36 TYR N N 15 128.369 0.3 . 1 . . . . . 103 TYR N . 51790 1
312 . 1 . 1 37 37 GLU H H 1 8.864 0.020 . 1 . . . . . 104 GLU H . 51790 1
313 . 1 . 1 37 37 GLU HA H 1 4.259 0.020 . 1 . . . . . 104 GLU HA . 51790 1
314 . 1 . 1 37 37 GLU HB2 H 1 1.814 0.020 . 2 . . . . . 104 GLU HB2 . 51790 1
315 . 1 . 1 37 37 GLU HB3 H 1 1.835 0.020 . 2 . . . . . 104 GLU HB3 . 51790 1
316 . 1 . 1 37 37 GLU HG2 H 1 1.993 0.020 . 2 . . . . . 104 GLU HG2 . 51790 1
317 . 1 . 1 37 37 GLU HG3 H 1 2.019 0.020 . 2 . . . . . 104 GLU HG3 . 51790 1
318 . 1 . 1 37 37 GLU C C 13 172.689 0.3 . 1 . . . . . 104 GLU C . 51790 1
319 . 1 . 1 37 37 GLU CA C 13 53.874 0.3 . 1 . . . . . 104 GLU CA . 51790 1
320 . 1 . 1 37 37 GLU CB C 13 34.254 0.3 . 1 . . . . . 104 GLU CB . 51790 1
321 . 1 . 1 37 37 GLU CG C 13 36.687 0.3 . 1 . . . . . 104 GLU CG . 51790 1
322 . 1 . 1 37 37 GLU N N 15 123.751 0.3 . 1 . . . . . 104 GLU N . 51790 1
323 . 1 . 1 38 38 TYR H H 1 8.415 0.020 . 1 . . . . . 105 TYR H . 51790 1
324 . 1 . 1 38 38 TYR HA H 1 4.253 0.020 . 1 . . . . . 105 TYR HA . 51790 1
325 . 1 . 1 38 38 TYR HB2 H 1 2.650 0.020 . 2 . . . . . 105 TYR HB2 . 51790 1
326 . 1 . 1 38 38 TYR HB3 H 1 2.668 0.020 . 2 . . . . . 105 TYR HB3 . 51790 1
327 . 1 . 1 38 38 TYR HD1 H 1 7.333 0.020 . 1 . . . . . 105 TYR HD1 . 51790 1
328 . 1 . 1 38 38 TYR HD2 H 1 7.333 0.020 . 1 . . . . . 105 TYR HD2 . 51790 1
329 . 1 . 1 38 38 TYR HE1 H 1 6.717 0.020 . 1 . . . . . 105 TYR HE1 . 51790 1
330 . 1 . 1 38 38 TYR HE2 H 1 6.717 0.020 . 1 . . . . . 105 TYR HE2 . 51790 1
331 . 1 . 1 38 38 TYR C C 13 175.414 0.3 . 1 . . . . . 105 TYR C . 51790 1
332 . 1 . 1 38 38 TYR CA C 13 56.008 0.3 . 1 . . . . . 105 TYR CA . 51790 1
333 . 1 . 1 38 38 TYR CB C 13 40.237 0.3 . 1 . . . . . 105 TYR CB . 51790 1
334 . 1 . 1 38 38 TYR N N 15 117.763 0.3 . 1 . . . . . 105 TYR N . 51790 1
335 . 1 . 1 39 39 ILE H H 1 9.322 0.020 . 1 . . . . . 106 ILE H . 51790 1
336 . 1 . 1 39 39 ILE HA H 1 4.230 0.020 . 1 . . . . . 106 ILE HA . 51790 1
337 . 1 . 1 39 39 ILE HB H 1 1.812 0.020 . 1 . . . . . 106 ILE HB . 51790 1
338 . 1 . 1 39 39 ILE HG12 H 1 1.295 0.020 . 2 . . . . . 106 ILE HG12 . 51790 1
339 . 1 . 1 39 39 ILE HG13 H 1 1.205 0.020 . 2 . . . . . 106 ILE HG13 . 51790 1
340 . 1 . 1 39 39 ILE HG21 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1
341 . 1 . 1 39 39 ILE HG22 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1
342 . 1 . 1 39 39 ILE HG23 H 1 0.854 0.020 . 1 . . . . . 106 ILE HG2 . 51790 1
343 . 1 . 1 39 39 ILE HD11 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1
344 . 1 . 1 39 39 ILE HD12 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1
345 . 1 . 1 39 39 ILE HD13 H 1 0.786 0.020 . 1 . . . . . 106 ILE HD1 . 51790 1
346 . 1 . 1 39 39 ILE C C 13 175.279 0.3 . 1 . . . . . 106 ILE C . 51790 1
347 . 1 . 1 39 39 ILE CA C 13 60.354 0.3 . 1 . . . . . 106 ILE CA . 51790 1
348 . 1 . 1 39 39 ILE CB C 13 38.361 0.3 . 1 . . . . . 106 ILE CB . 51790 1
349 . 1 . 1 39 39 ILE CG1 C 13 26.969 0.3 . 1 . . . . . 106 ILE CG1 . 51790 1
350 . 1 . 1 39 39 ILE CG2 C 13 17.486 0.3 . 1 . . . . . 106 ILE CG2 . 51790 1
351 . 1 . 1 39 39 ILE CD1 C 13 13.192 0.3 . 1 . . . . . 106 ILE CD1 . 51790 1
352 . 1 . 1 39 39 ILE N N 15 127.723 0.3 . 1 . . . . . 106 ILE N . 51790 1
353 . 1 . 1 40 40 ALA H H 1 8.809 0.020 . 1 . . . . . 107 ALA H . 51790 1
354 . 1 . 1 40 40 ALA HA H 1 4.246 0.020 . 1 . . . . . 107 ALA HA . 51790 1
355 . 1 . 1 40 40 ALA HB1 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1
356 . 1 . 1 40 40 ALA HB2 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1
357 . 1 . 1 40 40 ALA HB3 H 1 1.201 0.020 . 1 . . . . . 107 ALA HB . 51790 1
358 . 1 . 1 40 40 ALA C C 13 176.715 0.3 . 1 . . . . . 107 ALA C . 51790 1
359 . 1 . 1 40 40 ALA CA C 13 50.771 0.3 . 1 . . . . . 107 ALA CA . 51790 1
360 . 1 . 1 40 40 ALA CB C 13 19.878 0.3 . 1 . . . . . 107 ALA CB . 51790 1
361 . 1 . 1 40 40 ALA N N 15 133.307 0.3 . 1 . . . . . 107 ALA N . 51790 1
362 . 1 . 1 41 41 GLU H H 1 8.477 0.020 . 1 . . . . . 108 GLU H . 51790 1
363 . 1 . 1 41 41 GLU HA H 1 4.623 0.020 . 1 . . . . . 108 GLU HA . 51790 1
364 . 1 . 1 41 41 GLU HB2 H 1 1.968 0.020 . 2 . . . . . 108 GLU HB2 . 51790 1
365 . 1 . 1 41 41 GLU HB3 H 1 1.973 0.020 . 2 . . . . . 108 GLU HB3 . 51790 1
366 . 1 . 1 41 41 GLU HG2 H 1 2.089 0.020 . 2 . . . . . 108 GLU HG2 . 51790 1
367 . 1 . 1 41 41 GLU HG3 H 1 2.082 0.020 . 2 . . . . . 108 GLU HG3 . 51790 1
368 . 1 . 1 41 41 GLU C C 13 174.779 0.3 . 1 . . . . . 108 GLU C . 51790 1
369 . 1 . 1 41 41 GLU CA C 13 54.275 0.3 . 1 . . . . . 108 GLU CA . 51790 1
370 . 1 . 1 41 41 GLU CB C 13 32.179 0.3 . 1 . . . . . 108 GLU CB . 51790 1
371 . 1 . 1 41 41 GLU CG C 13 35.289 0.3 . 1 . . . . . 108 GLU CG . 51790 1
372 . 1 . 1 41 41 GLU N N 15 123.902 0.3 . 1 . . . . . 108 GLU N . 51790 1
373 . 1 . 1 42 42 GLY H H 1 8.196 0.020 . 1 . . . . . 109 GLY H . 51790 1
374 . 1 . 1 42 42 GLY HA2 H 1 4.453 0.020 . 1 . . . . . 109 GLY HA2 . 51790 1
375 . 1 . 1 42 42 GLY HA3 H 1 4.453 0.020 . 1 . . . . . 109 GLY HA3 . 51790 1
376 . 1 . 1 42 42 GLY C C 13 171.526 0.3 . 1 . . . . . 109 GLY C . 51790 1
377 . 1 . 1 42 42 GLY CA C 13 43.279 0.3 . 1 . . . . . 109 GLY CA . 51790 1
378 . 1 . 1 42 42 GLY N N 15 110.251 0.3 . 1 . . . . . 109 GLY N . 51790 1
379 . 1 . 1 43 43 PRO HA H 1 4.309 0.020 . 1 . . . . . 110 PRO HA . 51790 1
380 . 1 . 1 43 43 PRO HB2 H 1 2.198 0.020 . 2 . . . . . 110 PRO HB2 . 51790 1
381 . 1 . 1 43 43 PRO HB3 H 1 2.167 0.020 . 2 . . . . . 110 PRO HB3 . 51790 1
382 . 1 . 1 43 43 PRO HG2 H 1 1.861 0.020 . 2 . . . . . 110 PRO HG2 . 51790 1
383 . 1 . 1 43 43 PRO HG3 H 1 1.888 0.020 . 2 . . . . . 110 PRO HG3 . 51790 1
384 . 1 . 1 43 43 PRO HD2 H 1 3.606 0.020 . 2 . . . . . 110 PRO HD2 . 51790 1
385 . 1 . 1 43 43 PRO HD3 H 1 3.525 0.020 . 2 . . . . . 110 PRO HD3 . 51790 1
386 . 1 . 1 43 43 PRO C C 13 176.603 0.3 . 1 . . . . . 110 PRO C . 51790 1
387 . 1 . 1 43 43 PRO CA C 13 62.057 0.3 . 1 . . . . . 110 PRO CA . 51790 1
388 . 1 . 1 43 43 PRO CB C 13 30.912 0.3 . 1 . . . . . 110 PRO CB . 51790 1
389 . 1 . 1 43 43 PRO CG C 13 26.412 0.3 . 1 . . . . . 110 PRO CG . 51790 1
390 . 1 . 1 43 43 PRO CD C 13 49.452 0.3 . 1 . . . . . 110 PRO CD . 51790 1
391 . 1 . 1 44 44 CYS H H 1 8.136 0.020 . 1 . . . . . 111 CYS H . 51790 1
392 . 1 . 1 44 44 CYS HA H 1 4.618 0.020 . 1 . . . . . 111 CYS HA . 51790 1
393 . 1 . 1 44 44 CYS C C 13 177.206 0.3 . 1 . . . . . 111 CYS C . 51790 1
394 . 1 . 1 44 44 CYS CA C 13 54.606 0.3 . 1 . . . . . 111 CYS CA . 51790 1
395 . 1 . 1 44 44 CYS CB C 13 41.061 0.3 . 1 . . . . . 111 CYS CB . 51790 1
396 . 1 . 1 44 44 CYS N N 15 123.976 0.3 . 1 . . . . . 111 CYS N . 51790 1
397 . 1 . 1 45 45 HIS H H 1 8.204 0.020 . 1 . . . . . 112 HIS H . 51790 1
398 . 1 . 1 45 45 HIS C C 13 175.888 0.3 . 1 . . . . . 112 HIS C . 51790 1
399 . 1 . 1 45 45 HIS CA C 13 55.091 0.3 . 1 . . . . . 112 HIS CA . 51790 1
400 . 1 . 1 45 45 HIS CB C 13 29.661 0.3 . 1 . . . . . 112 HIS CB . 51790 1
401 . 1 . 1 45 45 HIS N N 15 123.659 0.3 . 1 . . . . . 112 HIS N . 51790 1
402 . 1 . 1 46 46 MET H H 1 7.380 0.020 . 1 . . . . . 113 MET H . 51790 1
403 . 1 . 1 46 46 MET HA H 1 4.312 0.020 . 1 . . . . . 113 MET HA . 51790 1
404 . 1 . 1 46 46 MET HB2 H 1 2.169 0.020 . 2 . . . . . 113 MET HB2 . 51790 1
405 . 1 . 1 46 46 MET HB3 H 1 2.154 0.020 . 2 . . . . . 113 MET HB3 . 51790 1
406 . 1 . 1 46 46 MET C C 13 173.137 0.3 . 1 . . . . . 113 MET C . 51790 1
407 . 1 . 1 46 46 MET CA C 13 54.307 0.3 . 1 . . . . . 113 MET CA . 51790 1
408 . 1 . 1 46 46 MET CB C 13 31.278 0.3 . 1 . . . . . 113 MET CB . 51790 1
409 . 1 . 1 46 46 MET CG C 13 31.428 0.3 . 1 . . . . . 113 MET CG . 51790 1
410 . 1 . 1 46 46 MET N N 15 124.465 0.3 . 1 . . . . . 113 MET N . 51790 1
411 . 1 . 1 47 47 LYS H H 1 7.724 0.020 . 1 . . . . . 114 LYS H . 51790 1
412 . 1 . 1 47 47 LYS HA H 1 4.288 0.020 . 1 . . . . . 114 LYS HA . 51790 1
413 . 1 . 1 47 47 LYS HB2 H 1 1.486 0.020 . 2 . . . . . 114 LYS HB2 . 51790 1
414 . 1 . 1 47 47 LYS HB3 H 1 1.505 0.020 . 2 . . . . . 114 LYS HB3 . 51790 1
415 . 1 . 1 47 47 LYS HG2 H 1 1.074 0.020 . 2 . . . . . 114 LYS HG2 . 51790 1
416 . 1 . 1 47 47 LYS HG3 H 1 1.054 0.020 . 2 . . . . . 114 LYS HG3 . 51790 1
417 . 1 . 1 47 47 LYS HD2 H 1 1.294 0.020 . 2 . . . . . 114 LYS HD2 . 51790 1
418 . 1 . 1 47 47 LYS HD3 H 1 1.315 0.020 . 2 . . . . . 114 LYS HD3 . 51790 1
419 . 1 . 1 47 47 LYS HE2 H 1 2.708 0.020 . 1 . . . . . 114 LYS HE2 . 51790 1
420 . 1 . 1 47 47 LYS C C 13 174.580 0.3 . 1 . . . . . 114 LYS C . 51790 1
421 . 1 . 1 47 47 LYS CA C 13 55.297 0.3 . 1 . . . . . 114 LYS CA . 51790 1
422 . 1 . 1 47 47 LYS CB C 13 31.466 0.3 . 1 . . . . . 114 LYS CB . 51790 1
423 . 1 . 1 47 47 LYS CG C 13 23.429 0.3 . 1 . . . . . 114 LYS CG . 51790 1
424 . 1 . 1 47 47 LYS CD C 13 28.047 0.3 . 1 . . . . . 114 LYS CD . 51790 1
425 . 1 . 1 47 47 LYS N N 15 122.751 0.3 . 1 . . . . . 114 LYS N . 51790 1
426 . 1 . 1 48 48 ILE H H 1 8.009 0.020 . 1 . . . . . 115 ILE H . 51790 1
427 . 1 . 1 48 48 ILE HA H 1 3.952 0.020 . 1 . . . . . 115 ILE HA . 51790 1
428 . 1 . 1 48 48 ILE HG21 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1
429 . 1 . 1 48 48 ILE HG22 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1
430 . 1 . 1 48 48 ILE HG23 H 1 0.835 0.020 . 1 . . . . . 115 ILE HG2 . 51790 1
431 . 1 . 1 48 48 ILE HD11 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1
432 . 1 . 1 48 48 ILE HD12 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1
433 . 1 . 1 48 48 ILE HD13 H 1 0.427 0.020 . 1 . . . . . 115 ILE HD1 . 51790 1
434 . 1 . 1 48 48 ILE C C 13 174.548 0.3 . 1 . . . . . 115 ILE C . 51790 1
435 . 1 . 1 48 48 ILE CA C 13 59.112 0.3 . 1 . . . . . 115 ILE CA . 51790 1
436 . 1 . 1 48 48 ILE CB C 13 39.283 0.3 . 1 . . . . . 115 ILE CB . 51790 1
437 . 1 . 1 48 48 ILE CG1 C 13 26.802 0.3 . 1 . . . . . 115 ILE CG1 . 51790 1
438 . 1 . 1 48 48 ILE CG2 C 13 16.503 0.3 . 1 . . . . . 115 ILE CG2 . 51790 1
439 . 1 . 1 48 48 ILE CD1 C 13 12.312 0.3 . 1 . . . . . 115 ILE CD1 . 51790 1
440 . 1 . 1 48 48 ILE N N 15 120.448 0.3 . 1 . . . . . 115 ILE N . 51790 1
441 . 1 . 1 49 49 PHE H H 1 8.610 0.020 . 1 . . . . . 116 PHE H . 51790 1
442 . 1 . 1 49 49 PHE HA H 1 5.130 0.020 . 1 . . . . . 116 PHE HA . 51790 1
443 . 1 . 1 49 49 PHE HB2 H 1 2.641 0.020 . 2 . . . . . 116 PHE HB2 . 51790 1
444 . 1 . 1 49 49 PHE HB3 H 1 2.633 0.020 . 2 . . . . . 116 PHE HB3 . 51790 1
445 . 1 . 1 49 49 PHE HD1 H 1 6.764 0.020 . 1 . . . . . 116 PHE HD1 . 51790 1
446 . 1 . 1 49 49 PHE HD2 H 1 6.764 0.020 . 1 . . . . . 116 PHE HD2 . 51790 1
447 . 1 . 1 49 49 PHE C C 13 175.410 0.3 . 1 . . . . . 116 PHE C . 51790 1
448 . 1 . 1 49 49 PHE CA C 13 56.121 0.3 . 1 . . . . . 116 PHE CA . 51790 1
449 . 1 . 1 49 49 PHE CB C 13 41.452 0.3 . 1 . . . . . 116 PHE CB . 51790 1
450 . 1 . 1 49 49 PHE N N 15 123.708 0.3 . 1 . . . . . 116 PHE N . 51790 1
451 . 1 . 1 50 50 THR H H 1 9.291 0.020 . 1 . . . . . 117 THR H . 51790 1
452 . 1 . 1 50 50 THR HA H 1 4.627 0.020 . 1 . . . . . 117 THR HA . 51790 1
453 . 1 . 1 50 50 THR HB H 1 3.977 0.020 . 1 . . . . . 117 THR HB . 51790 1
454 . 1 . 1 50 50 THR HG1 H 1 5.224 0.020 . 1 . . . . . 117 THR HG1 . 51790 1
455 . 1 . 1 50 50 THR HG21 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1
456 . 1 . 1 50 50 THR HG22 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1
457 . 1 . 1 50 50 THR HG23 H 1 1.322 0.020 . 1 . . . . . 117 THR HG2 . 51790 1
458 . 1 . 1 50 50 THR C C 13 174.432 0.3 . 1 . . . . . 117 THR C . 51790 1
459 . 1 . 1 50 50 THR CA C 13 62.856 0.3 . 1 . . . . . 117 THR CA . 51790 1
460 . 1 . 1 50 50 THR CB C 13 68.658 0.3 . 1 . . . . . 117 THR CB . 51790 1
461 . 1 . 1 50 50 THR CG2 C 13 21.058 0.3 . 1 . . . . . 117 THR CG2 . 51790 1
462 . 1 . 1 50 50 THR N N 15 122.323 0.3 . 1 . . . . . 117 THR N . 51790 1
463 . 1 . 1 51 51 GLY H H 1 9.811 0.020 . 1 . . . . . 118 GLY H . 51790 1
464 . 1 . 1 51 51 GLY HA2 H 1 4.182 0.020 . 1 . . . . . 118 GLY HA2 . 51790 1
465 . 1 . 1 51 51 GLY HA3 H 1 4.615 0.020 . 2 . . . . . 118 GLY HA3 . 51790 1
466 . 1 . 1 51 51 GLY C C 13 169.521 0.3 . 1 . . . . . 118 GLY C . 51790 1
467 . 1 . 1 51 51 GLY CA C 13 43.824 0.3 . 1 . . . . . 118 GLY CA . 51790 1
468 . 1 . 1 51 51 GLY N N 15 119.530 0.3 . 1 . . . . . 118 GLY N . 51790 1
469 . 1 . 1 52 52 LYS H H 1 8.258 0.020 . 1 . . . . . 119 LYS H . 51790 1
470 . 1 . 1 52 52 LYS HA H 1 4.624 0.020 . 1 . . . . . 119 LYS HA . 51790 1
471 . 1 . 1 52 52 LYS HB2 H 1 1.709 0.020 . 1 . . . . . 119 LYS HB2 . 51790 1
472 . 1 . 1 52 52 LYS HG2 H 1 1.114 0.020 . 2 . . . . . 119 LYS HG2 . 51790 1
473 . 1 . 1 52 52 LYS HG3 H 1 1.132 0.020 . 2 . . . . . 119 LYS HG3 . 51790 1
474 . 1 . 1 52 52 LYS HD2 H 1 1.526 0.020 . 1 . . . . . 119 LYS HD2 . 51790 1
475 . 1 . 1 52 52 LYS HD3 H 1 1.526 0.020 . 1 . . . . . 119 LYS HD3 . 51790 1
476 . 1 . 1 52 52 LYS C C 13 174.525 0.3 . 1 . . . . . 119 LYS C . 51790 1
477 . 1 . 1 52 52 LYS CA C 13 52.571 0.3 . 1 . . . . . 119 LYS CA . 51790 1
478 . 1 . 1 52 52 LYS CB C 13 35.297 0.3 . 1 . . . . . 119 LYS CB . 51790 1
479 . 1 . 1 52 52 LYS CD C 13 28.600 0.3 . 1 . . . . . 119 LYS CD . 51790 1
480 . 1 . 1 52 52 LYS N N 15 125.635 0.3 . 1 . . . . . 119 LYS N . 51790 1
481 . 1 . 1 53 53 VAL H H 1 8.873 0.020 . 1 . . . . . 120 VAL H . 51790 1
482 . 1 . 1 53 53 VAL HA H 1 4.957 0.020 . 1 . . . . . 120 VAL HA . 51790 1
483 . 1 . 1 53 53 VAL HB H 1 1.179 0.020 . 1 . . . . . 120 VAL HB . 51790 1
484 . 1 . 1 53 53 VAL HG11 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1
485 . 1 . 1 53 53 VAL HG12 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1
486 . 1 . 1 53 53 VAL HG13 H 1 0.512 0.020 . 1 . . . . . 120 VAL HG1 . 51790 1
487 . 1 . 1 53 53 VAL C C 13 172.248 0.3 . 1 . . . . . 120 VAL C . 51790 1
488 . 1 . 1 53 53 VAL CA C 13 56.919 0.3 . 1 . . . . . 120 VAL CA . 51790 1
489 . 1 . 1 53 53 VAL CB C 13 34.160 0.3 . 1 . . . . . 120 VAL CB . 51790 1
490 . 1 . 1 53 53 VAL CG1 C 13 21.854 0.3 . 1 . . . . . 120 VAL CG1 . 51790 1
491 . 1 . 1 53 53 VAL CG2 C 13 20.908 0.3 . 1 . . . . . 120 VAL CG2 . 51790 1
492 . 1 . 1 53 53 VAL N N 15 126.705 0.3 . 1 . . . . . 120 VAL N . 51790 1
493 . 1 . 1 54 54 THR H H 1 8.064 0.020 . 1 . . . . . 121 THR H . 51790 1
494 . 1 . 1 54 54 THR HA H 1 5.166 0.020 . 1 . . . . . 121 THR HA . 51790 1
495 . 1 . 1 54 54 THR HB H 1 4.145 0.020 . 1 . . . . . 121 THR HB . 51790 1
496 . 1 . 1 54 54 THR HG21 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1
497 . 1 . 1 54 54 THR HG22 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1
498 . 1 . 1 54 54 THR HG23 H 1 0.807 0.020 . 1 . . . . . 121 THR HG2 . 51790 1
499 . 1 . 1 54 54 THR C C 13 174.537 0.3 . 1 . . . . . 121 THR C . 51790 1
500 . 1 . 1 54 54 THR CA C 13 60.954 0.3 . 1 . . . . . 121 THR CA . 51790 1
501 . 1 . 1 54 54 THR CB C 13 69.023 0.3 . 1 . . . . . 121 THR CB . 51790 1
502 . 1 . 1 54 54 THR CG2 C 13 20.006 0.3 . 1 . . . . . 121 THR CG2 . 51790 1
503 . 1 . 1 54 54 THR N N 15 124.427 0.3 . 1 . . . . . 121 THR N . 51790 1
504 . 1 . 1 55 55 VAL H H 1 9.393 0.020 . 1 . . . . . 122 VAL H . 51790 1
505 . 1 . 1 55 55 VAL HA H 1 3.907 0.020 . 1 . . . . . 122 VAL HA . 51790 1
506 . 1 . 1 55 55 VAL HB H 1 1.745 0.020 . 1 . . . . . 122 VAL HB . 51790 1
507 . 1 . 1 55 55 VAL HG11 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1
508 . 1 . 1 55 55 VAL HG12 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1
509 . 1 . 1 55 55 VAL HG13 H 1 0.692 0.020 . 2 . . . . . 122 VAL HG1 . 51790 1
510 . 1 . 1 55 55 VAL HG21 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1
511 . 1 . 1 55 55 VAL HG22 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1
512 . 1 . 1 55 55 VAL HG23 H 1 0.676 0.020 . 2 . . . . . 122 VAL HG2 . 51790 1
513 . 1 . 1 55 55 VAL C C 13 172.806 0.3 . 1 . . . . . 122 VAL C . 51790 1
514 . 1 . 1 55 55 VAL CA C 13 59.289 0.3 . 1 . . . . . 122 VAL CA . 51790 1
515 . 1 . 1 55 55 VAL CB C 13 34.374 0.3 . 1 . . . . . 122 VAL CB . 51790 1
516 . 1 . 1 55 55 VAL CG1 C 13 20.658 0.3 . 1 . . . . . 122 VAL CG1 . 51790 1
517 . 1 . 1 55 55 VAL CG2 C 13 21.087 0.3 . 1 . . . . . 122 VAL CG2 . 51790 1
518 . 1 . 1 55 55 VAL N N 15 132.350 0.3 . 1 . . . . . 122 VAL N . 51790 1
519 . 1 . 1 56 56 GLU H H 1 9.064 0.020 . 1 . . . . . 123 GLU H . 51790 1
520 . 1 . 1 56 56 GLU HA H 1 4.616 0.020 . 1 . . . . . 123 GLU HA . 51790 1
521 . 1 . 1 56 56 GLU HB2 H 1 1.707 0.020 . 1 . . . . . 123 GLU HB2 . 51790 1
522 . 1 . 1 56 56 GLU C C 13 174.223 0.3 . 1 . . . . . 123 GLU C . 51790 1
523 . 1 . 1 56 56 GLU CA C 13 54.133 0.3 . 1 . . . . . 123 GLU CA . 51790 1
524 . 1 . 1 56 56 GLU CB C 13 28.680 0.3 . 1 . . . . . 123 GLU CB . 51790 1
525 . 1 . 1 56 56 GLU N N 15 130.338 0.3 . 1 . . . . . 123 GLU N . 51790 1
526 . 1 . 1 58 58 LYS H H 1 8.410 0.020 . 1 . . . . . 125 LYS H . 51790 1
527 . 1 . 1 58 58 LYS HA H 1 4.617 0.020 . 1 . . . . . 125 LYS HA . 51790 1
528 . 1 . 1 58 58 LYS HB2 H 1 1.605 0.020 . 1 . . . . . 125 LYS HB2 . 51790 1
529 . 1 . 1 58 58 LYS HG2 H 1 1.102 0.020 . 2 . . . . . 125 LYS HG2 . 51790 1
530 . 1 . 1 58 58 LYS HG3 H 1 1.083 0.020 . 2 . . . . . 125 LYS HG3 . 51790 1
531 . 1 . 1 58 58 LYS HD2 H 1 1.643 0.020 . 2 . . . . . 125 LYS HD2 . 51790 1
532 . 1 . 1 58 58 LYS HD3 H 1 1.643 0.020 . 2 . . . . . 125 LYS HD3 . 51790 1
533 . 1 . 1 58 58 LYS HE2 H 1 2.937 0.020 . 2 . . . . . 125 LYS HE2 . 51790 1
534 . 1 . 1 58 58 LYS HE3 H 1 2.920 0.020 . 2 . . . . . 125 LYS HE3 . 51790 1
535 . 1 . 1 58 58 LYS C C 13 174.959 0.3 . 1 . . . . . 125 LYS C . 51790 1
536 . 1 . 1 58 58 LYS CA C 13 54.979 0.3 . 1 . . . . . 125 LYS CA . 51790 1
537 . 1 . 1 58 58 LYS CB C 13 32.807 0.3 . 1 . . . . . 125 LYS CB . 51790 1
538 . 1 . 1 58 58 LYS CG C 13 23.751 0.3 . 1 . . . . . 125 LYS CG . 51790 1
539 . 1 . 1 58 58 LYS CD C 13 28.453 0.3 . 1 . . . . . 125 LYS CD . 51790 1
540 . 1 . 1 58 58 LYS CE C 13 41.328 0.3 . 1 . . . . . 125 LYS CE . 51790 1
541 . 1 . 1 58 58 LYS N N 15 121.358 0.3 . 1 . . . . . 125 LYS N . 51790 1
542 . 1 . 1 59 59 GLU H H 1 8.192 0.020 . 1 . . . . . 126 GLU H . 51790 1
543 . 1 . 1 59 59 GLU HA H 1 4.603 0.020 . 1 . . . . . 126 GLU HA . 51790 1
544 . 1 . 1 59 59 GLU HB2 H 1 2.084 0.020 . 1 . . . . . 126 GLU HB2 . 51790 1
545 . 1 . 1 59 59 GLU HG2 H 1 2.110 0.020 . 1 . . . . . 126 GLU HG2 . 51790 1
546 . 1 . 1 59 59 GLU C C 13 175.414 0.3 . 1 . . . . . 126 GLU C . 51790 1
547 . 1 . 1 59 59 GLU CA C 13 54.346 0.3 . 1 . . . . . 126 GLU CA . 51790 1
548 . 1 . 1 59 59 GLU CB C 13 31.325 0.3 . 1 . . . . . 126 GLU CB . 51790 1
549 . 1 . 1 59 59 GLU CG C 13 35.887 0.3 . 1 . . . . . 126 GLU CG . 51790 1
550 . 1 . 1 59 59 GLU N N 15 127.289 0.3 . 1 . . . . . 126 GLU N . 51790 1
551 . 1 . 1 60 60 ASP H H 1 9.016 0.020 . 1 . . . . . 127 ASP H . 51790 1
552 . 1 . 1 60 60 ASP HA H 1 4.613 0.020 . 1 . . . . . 127 ASP HA . 51790 1
553 . 1 . 1 60 60 ASP HB2 H 1 2.713 0.020 . 2 . . . . . 127 ASP HB2 . 51790 1
554 . 1 . 1 60 60 ASP HB3 H 1 2.774 0.020 . 2 . . . . . 127 ASP HB3 . 51790 1
555 . 1 . 1 60 60 ASP C C 13 175.624 0.3 . 1 . . . . . 127 ASP C . 51790 1
556 . 1 . 1 60 60 ASP CA C 13 56.069 0.3 . 1 . . . . . 127 ASP CA . 51790 1
557 . 1 . 1 60 60 ASP CB C 13 39.040 0.3 . 1 . . . . . 127 ASP CB . 51790 1
558 . 1 . 1 60 60 ASP N N 15 126.095 0.3 . 1 . . . . . 127 ASP N . 51790 1
559 . 1 . 1 61 61 SER H H 1 8.332 0.020 . 1 . . . . . 128 SER H . 51790 1
560 . 1 . 1 61 61 SER HA H 1 4.185 0.020 . 1 . . . . . 128 SER HA . 51790 1
561 . 1 . 1 61 61 SER HB2 H 1 4.089 0.020 . 2 . . . . . 128 SER HB2 . 51790 1
562 . 1 . 1 61 61 SER HB3 H 1 3.952 0.020 . 2 . . . . . 128 SER HB3 . 51790 1
563 . 1 . 1 61 61 SER C C 13 173.331 0.3 . 1 . . . . . 128 SER C . 51790 1
564 . 1 . 1 61 61 SER CA C 13 58.764 0.3 . 1 . . . . . 128 SER CA . 51790 1
565 . 1 . 1 61 61 SER CB C 13 62.737 0.3 . 1 . . . . . 128 SER CB . 51790 1
566 . 1 . 1 61 61 SER N N 15 114.188 0.3 . 1 . . . . . 128 SER N . 51790 1
567 . 1 . 1 62 62 ARG H H 1 7.812 0.020 . 1 . . . . . 129 ARG H . 51790 1
568 . 1 . 1 62 62 ARG HA H 1 4.618 0.020 . 1 . . . . . 129 ARG HA . 51790 1
569 . 1 . 1 62 62 ARG HB2 H 1 1.757 0.020 . 2 . . . . . 129 ARG HB2 . 51790 1
570 . 1 . 1 62 62 ARG HB3 H 1 1.733 0.020 . 2 . . . . . 129 ARG HB3 . 51790 1
571 . 1 . 1 62 62 ARG HG2 H 1 1.450 0.020 . 2 . . . . . 129 ARG HG2 . 51790 1
572 . 1 . 1 62 62 ARG HG3 H 1 1.434 0.020 . 2 . . . . . 129 ARG HG3 . 51790 1
573 . 1 . 1 62 62 ARG HD2 H 1 3.033 0.020 . 2 . . . . . 129 ARG HD2 . 51790 1
574 . 1 . 1 62 62 ARG HD3 H 1 3.013 0.020 . 2 . . . . . 129 ARG HD3 . 51790 1
575 . 1 . 1 62 62 ARG C C 13 174.993 0.3 . 1 . . . . . 129 ARG C . 51790 1
576 . 1 . 1 62 62 ARG CA C 13 54.979 0.3 . 1 . . . . . 129 ARG CA . 51790 1
577 . 1 . 1 62 62 ARG CB C 13 30.848 0.3 . 1 . . . . . 129 ARG CB . 51790 1
578 . 1 . 1 62 62 ARG CG C 13 26.368 0.3 . 1 . . . . . 129 ARG CG . 51790 1
579 . 1 . 1 62 62 ARG CD C 13 42.532 0.3 . 1 . . . . . 129 ARG CD . 51790 1
580 . 1 . 1 62 62 ARG N N 15 123.361 0.3 . 1 . . . . . 129 ARG N . 51790 1
581 . 1 . 1 63 63 ILE H H 1 8.321 0.020 . 1 . . . . . 130 ILE H . 51790 1
582 . 1 . 1 63 63 ILE HA H 1 4.625 0.020 . 1 . . . . . 130 ILE HA . 51790 1
583 . 1 . 1 63 63 ILE HB H 1 1.652 0.020 . 1 . . . . . 130 ILE HB . 51790 1
584 . 1 . 1 63 63 ILE HG12 H 1 1.079 0.020 . 2 . . . . . 130 ILE HG12 . 51790 1
585 . 1 . 1 63 63 ILE HG13 H 1 1.098 0.020 . 2 . . . . . 130 ILE HG13 . 51790 1
586 . 1 . 1 63 63 ILE HD11 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1
587 . 1 . 1 63 63 ILE HD12 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1
588 . 1 . 1 63 63 ILE HD13 H 1 0.543 0.020 . 1 . . . . . 130 ILE HD1 . 51790 1
589 . 1 . 1 63 63 ILE C C 13 176.220 0.3 . 1 . . . . . 130 ILE C . 51790 1
590 . 1 . 1 63 63 ILE CA C 13 59.122 0.3 . 1 . . . . . 130 ILE CA . 51790 1
591 . 1 . 1 63 63 ILE CB C 13 38.700 0.3 . 1 . . . . . 130 ILE CB . 51790 1
592 . 1 . 1 63 63 ILE CG2 C 13 16.552 0.3 . 1 . . . . . 130 ILE CG2 . 51790 1
593 . 1 . 1 63 63 ILE CD1 C 13 11.705 0.3 . 1 . . . . . 130 ILE CD1 . 51790 1
594 . 1 . 1 63 63 ILE N N 15 126.483 0.3 . 1 . . . . . 130 ILE N . 51790 1
595 . 1 . 1 64 64 THR H H 1 8.279 0.020 . 1 . . . . . 131 THR H . 51790 1
596 . 1 . 1 64 64 THR HA H 1 4.213 0.020 . 1 . . . . . 131 THR HA . 51790 1
597 . 1 . 1 64 64 THR HB H 1 4.064 0.020 . 1 . . . . . 131 THR HB . 51790 1
598 . 1 . 1 64 64 THR HG21 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1
599 . 1 . 1 64 64 THR HG22 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1
600 . 1 . 1 64 64 THR HG23 H 1 0.823 0.020 . 1 . . . . . 131 THR HG2 . 51790 1
601 . 1 . 1 64 64 THR C C 13 172.575 0.3 . 1 . . . . . 131 THR C . 51790 1
602 . 1 . 1 64 64 THR CA C 13 61.121 0.3 . 1 . . . . . 131 THR CA . 51790 1
603 . 1 . 1 64 64 THR CB C 13 70.200 0.3 . 1 . . . . . 131 THR CB . 51790 1
604 . 1 . 1 64 64 THR CG2 C 13 20.001 0.3 . 1 . . . . . 131 THR CG2 . 51790 1
605 . 1 . 1 64 64 THR N N 15 126.466 0.3 . 1 . . . . . 131 THR N . 51790 1
606 . 1 . 1 65 65 VAL H H 1 8.285 0.020 . 1 . . . . . 132 VAL H . 51790 1
607 . 1 . 1 65 65 VAL HA H 1 4.429 0.020 . 1 . . . . . 132 VAL HA . 51790 1
608 . 1 . 1 65 65 VAL HG11 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1
609 . 1 . 1 65 65 VAL HG12 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1
610 . 1 . 1 65 65 VAL HG13 H 1 0.472 0.020 . 2 . . . . . 132 VAL HG1 . 51790 1
611 . 1 . 1 65 65 VAL HG21 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1
612 . 1 . 1 65 65 VAL HG22 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1
613 . 1 . 1 65 65 VAL HG23 H 1 0.440 0.020 . 2 . . . . . 132 VAL HG2 . 51790 1
614 . 1 . 1 65 65 VAL C C 13 172.068 0.3 . 1 . . . . . 132 VAL C . 51790 1
615 . 1 . 1 65 65 VAL CA C 13 62.336 0.3 . 1 . . . . . 132 VAL CA . 51790 1
616 . 1 . 1 65 65 VAL CB C 13 30.655 0.3 . 1 . . . . . 132 VAL CB . 51790 1
617 . 1 . 1 65 65 VAL CG1 C 13 20.207 0.3 . 1 . . . . . 132 VAL CG1 . 51790 1
618 . 1 . 1 65 65 VAL CG2 C 13 20.175 0.3 . 1 . . . . . 132 VAL CG2 . 51790 1
619 . 1 . 1 65 65 VAL N N 15 129.744 0.3 . 1 . . . . . 132 VAL N . 51790 1
620 . 1 . 1 66 66 LEU H H 1 8.718 0.020 . 1 . . . . . 133 LEU H . 51790 1
621 . 1 . 1 66 66 LEU HB2 H 1 1.599 0.020 . 1 . . . . . 133 LEU HB2 . 51790 1
622 . 1 . 1 66 66 LEU HB3 H 1 1.599 0.020 . 1 . . . . . 133 LEU HB3 . 51790 1
623 . 1 . 1 66 66 LEU HG H 1 1.560 0.020 . 1 . . . . . 133 LEU HG . 51790 1
624 . 1 . 1 66 66 LEU HD11 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1
625 . 1 . 1 66 66 LEU HD12 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1
626 . 1 . 1 66 66 LEU HD13 H 1 0.520 0.020 . 2 . . . . . 133 LEU HD1 . 51790 1
627 . 1 . 1 66 66 LEU HD21 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1
628 . 1 . 1 66 66 LEU HD22 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1
629 . 1 . 1 66 66 LEU HD23 H 1 0.539 0.020 . 2 . . . . . 133 LEU HD2 . 51790 1
630 . 1 . 1 66 66 LEU C C 13 173.920 0.3 . 1 . . . . . 133 LEU C . 51790 1
631 . 1 . 1 66 66 LEU CA C 13 52.235 0.3 . 1 . . . . . 133 LEU CA . 51790 1
632 . 1 . 1 66 66 LEU CB C 13 42.767 0.3 . 1 . . . . . 133 LEU CB . 51790 1
633 . 1 . 1 66 66 LEU CD1 C 13 23.976 0.3 . 1 . . . . . 133 LEU CD1 . 51790 1
634 . 1 . 1 66 66 LEU CD2 C 13 24.137 0.3 . 1 . . . . . 133 LEU CD2 . 51790 1
635 . 1 . 1 66 66 LEU N N 15 132.683 0.3 . 1 . . . . . 133 LEU N . 51790 1
636 . 1 . 1 67 67 GLU H H 1 8.995 0.020 . 1 . . . . . 134 GLU H . 51790 1
637 . 1 . 1 67 67 GLU HA H 1 4.651 0.020 . 1 . . . . . 134 GLU HA . 51790 1
638 . 1 . 1 67 67 GLU HB2 H 1 1.919 0.020 . 2 . . . . . 134 GLU HB2 . 51790 1
639 . 1 . 1 67 67 GLU HB3 H 1 1.904 0.020 . 2 . . . . . 134 GLU HB3 . 51790 1
640 . 1 . 1 67 67 GLU C C 13 174.854 0.3 . 1 . . . . . 134 GLU C . 51790 1
641 . 1 . 1 67 67 GLU CA C 13 53.720 0.3 . 1 . . . . . 134 GLU CA . 51790 1
642 . 1 . 1 67 67 GLU CB C 13 31.964 0.3 . 1 . . . . . 134 GLU CB . 51790 1
643 . 1 . 1 67 67 GLU CG C 13 36.049 0.3 . 1 . . . . . 134 GLU CG . 51790 1
644 . 1 . 1 67 67 GLU N N 15 129.273 0.3 . 1 . . . . . 134 GLU N . 51790 1
645 . 1 . 1 68 68 CYS H H 1 8.747 0.020 . 1 . . . . . 135 CYS H . 51790 1
646 . 1 . 1 68 68 CYS HB2 H 1 2.783 0.020 . 2 . . . . . 135 CYS HB2 . 51790 1
647 . 1 . 1 68 68 CYS HB3 H 1 2.748 0.020 . 2 . . . . . 135 CYS HB3 . 51790 1
648 . 1 . 1 68 68 CYS C C 13 172.586 0.3 . 1 . . . . . 135 CYS C . 51790 1
649 . 1 . 1 68 68 CYS CA C 13 55.248 0.3 . 1 . . . . . 135 CYS CA . 51790 1
650 . 1 . 1 68 68 CYS CB C 13 30.799 0.3 . 1 . . . . . 135 CYS CB . 51790 1
651 . 1 . 1 68 68 CYS N N 15 120.892 0.3 . 1 . . . . . 135 CYS N . 51790 1
652 . 1 . 1 69 69 PHE H H 1 8.521 0.020 . 1 . . . . . 136 PHE H . 51790 1
653 . 1 . 1 69 69 PHE HA H 1 4.623 0.020 . 1 . . . . . 136 PHE HA . 51790 1
654 . 1 . 1 69 69 PHE HB2 H 1 3.048 0.020 . 2 . . . . . 136 PHE HB2 . 51790 1
655 . 1 . 1 69 69 PHE HB3 H 1 3.019 0.020 . 2 . . . . . 136 PHE HB3 . 51790 1
656 . 1 . 1 69 69 PHE HD1 H 1 7.443 0.020 . 1 . . . . . 136 PHE HD1 . 51790 1
657 . 1 . 1 69 69 PHE HD2 H 1 7.443 0.020 . 1 . . . . . 136 PHE HD2 . 51790 1
658 . 1 . 1 69 69 PHE HE1 H 1 7.040 0.020 . 1 . . . . . 136 PHE HE1 . 51790 1
659 . 1 . 1 69 69 PHE HE2 H 1 7.040 0.020 . 1 . . . . . 136 PHE HE2 . 51790 1
660 . 1 . 1 69 69 PHE HZ H 1 6.649 0.020 . 1 . . . . . 136 PHE HZ . 51790 1
661 . 1 . 1 69 69 PHE C C 13 175.603 0.3 . 1 . . . . . 136 PHE C . 51790 1
662 . 1 . 1 69 69 PHE CA C 13 55.265 0.3 . 1 . . . . . 136 PHE CA . 51790 1
663 . 1 . 1 69 69 PHE CB C 13 42.171 0.3 . 1 . . . . . 136 PHE CB . 51790 1
664 . 1 . 1 69 69 PHE N N 15 121.688 0.3 . 1 . . . . . 136 PHE N . 51790 1
665 . 1 . 1 70 70 GLY H H 1 7.462 0.020 . 1 . . . . . 137 GLY H . 51790 1
666 . 1 . 1 70 70 GLY HA2 H 1 4.627 0.020 . 1 . . . . . 137 GLY HA2 . 51790 1
667 . 1 . 1 70 70 GLY HA3 H 1 4.627 0.020 . 1 . . . . . 137 GLY HA3 . 51790 1
668 . 1 . 1 70 70 GLY C C 13 173.661 0.3 . 1 . . . . . 137 GLY C . 51790 1
669 . 1 . 1 70 70 GLY CA C 13 43.365 0.3 . 1 . . . . . 137 GLY CA . 51790 1
670 . 1 . 1 70 70 GLY N N 15 103.6 0.3 . 1 . . . . . 137 GLY N . 51790 1
671 . 1 . 1 71 71 ASN H H 1 7.591 0.020 . 1 . . . . . 138 ASN H . 51790 1
672 . 1 . 1 71 71 ASN C C 13 173.784 0.3 . 1 . . . . . 138 ASN C . 51790 1
673 . 1 . 1 71 71 ASN CA C 13 51.089 0.3 . 1 . . . . . 138 ASN CA . 51790 1
674 . 1 . 1 71 71 ASN CB C 13 37.746 0.3 . 1 . . . . . 138 ASN CB . 51790 1
675 . 1 . 1 71 71 ASN N N 15 116.721 0.3 . 1 . . . . . 138 ASN N . 51790 1
676 . 1 . 1 72 72 PRO HB2 H 1 1.917 0.020 . 2 . . . . . 139 PRO HB2 . 51790 1
677 . 1 . 1 72 72 PRO HB3 H 1 1.936 0.020 . 2 . . . . . 139 PRO HB3 . 51790 1
678 . 1 . 1 72 72 PRO HG2 H 1 1.514 0.020 . 2 . . . . . 139 PRO HG2 . 51790 1
679 . 1 . 1 72 72 PRO HG3 H 1 1.493 0.020 . 2 . . . . . 139 PRO HG3 . 51790 1
680 . 1 . 1 72 72 PRO C C 13 176.939 0.3 . 1 . . . . . 139 PRO C . 51790 1
681 . 1 . 1 72 72 PRO CA C 13 62.316 0.3 . 1 . . . . . 139 PRO CA . 51790 1
682 . 1 . 1 72 72 PRO CB C 13 30.428 0.3 . 1 . . . . . 139 PRO CB . 51790 1
683 . 1 . 1 72 72 PRO CG C 13 26.383 0.3 . 1 . . . . . 139 PRO CG . 51790 1
684 . 1 . 1 73 73 GLN H H 1 9.142 0.020 . 1 . . . . . 140 GLN H . 51790 1
685 . 1 . 1 73 73 GLN HA H 1 4.597 0.020 . 1 . . . . . 140 GLN HA . 51790 1
686 . 1 . 1 73 73 GLN HB2 H 1 1.844 0.020 . 2 . . . . . 140 GLN HB2 . 51790 1
687 . 1 . 1 73 73 GLN HB3 H 1 1.867 0.020 . 2 . . . . . 140 GLN HB3 . 51790 1
688 . 1 . 1 73 73 GLN HG2 H 1 2.812 0.020 . 1 . . . . . 140 GLN HG2 . 51790 1
689 . 1 . 1 73 73 GLN HG3 H 1 2.812 0.020 . 1 . . . . . 140 GLN HG3 . 51790 1
690 . 1 . 1 73 73 GLN C C 13 175.521 0.3 . 1 . . . . . 140 GLN C . 51790 1
691 . 1 . 1 73 73 GLN CA C 13 52.598 0.3 . 1 . . . . . 140 GLN CA . 51790 1
692 . 1 . 1 73 73 GLN CB C 13 32.587 0.3 . 1 . . . . . 140 GLN CB . 51790 1
693 . 1 . 1 73 73 GLN CG C 13 30.173 0.3 . 1 . . . . . 140 GLN CG . 51790 1
694 . 1 . 1 73 73 GLN N N 15 121.219 0.3 . 1 . . . . . 140 GLN N . 51790 1
695 . 1 . 1 74 74 TYR H H 1 8.513 0.020 . 1 . . . . . 141 TYR H . 51790 1
696 . 1 . 1 74 74 TYR HA H 1 4.622 0.020 . 1 . . . . . 141 TYR HA . 51790 1
697 . 1 . 1 74 74 TYR HB2 H 1 2.843 0.020 . 2 . . . . . 141 TYR HB2 . 51790 1
698 . 1 . 1 74 74 TYR HB3 H 1 2.819 0.020 . 2 . . . . . 141 TYR HB3 . 51790 1
699 . 1 . 1 74 74 TYR HD1 H 1 7.470 0.020 . 1 . . . . . 141 TYR HD1 . 51790 1
700 . 1 . 1 74 74 TYR HD2 H 1 7.470 0.020 . 1 . . . . . 141 TYR HD2 . 51790 1
701 . 1 . 1 74 74 TYR C C 13 175.950 0.3 . 1 . . . . . 141 TYR C . 51790 1
702 . 1 . 1 74 74 TYR CA C 13 59.545 0.3 . 1 . . . . . 141 TYR CA . 51790 1
703 . 1 . 1 74 74 TYR CB C 13 37.693 0.3 . 1 . . . . . 141 TYR CB . 51790 1
704 . 1 . 1 74 74 TYR N N 15 120.655 0.3 . 1 . . . . . 141 TYR N . 51790 1
705 . 1 . 1 75 75 LYS H H 1 7.492 0.020 . 1 . . . . . 142 LYS H . 51790 1
706 . 1 . 1 75 75 LYS C C 13 176.711 0.3 . 1 . . . . . 142 LYS C . 51790 1
707 . 1 . 1 75 75 LYS CA C 13 53.771 0.3 . 1 . . . . . 142 LYS CA . 51790 1
708 . 1 . 1 75 75 LYS CB C 13 32.550 0.3 . 1 . . . . . 142 LYS CB . 51790 1
709 . 1 . 1 75 75 LYS N N 15 117.616 0.3 . 1 . . . . . 142 LYS N . 51790 1
710 . 1 . 1 77 77 LYS H H 1 8.617 0.020 . 1 . . . . . 144 LYS H . 51790 1
711 . 1 . 1 77 77 LYS HA H 1 4.338 0.020 . 1 . . . . . 144 LYS HA . 51790 1
712 . 1 . 1 77 77 LYS HB2 H 1 1.779 0.020 . 2 . . . . . 144 LYS HB2 . 51790 1
713 . 1 . 1 77 77 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 144 LYS HB3 . 51790 1
714 . 1 . 1 77 77 LYS HG2 H 1 1.301 0.020 . 2 . . . . . 144 LYS HG2 . 51790 1
715 . 1 . 1 77 77 LYS HG3 H 1 1.315 0.020 . 2 . . . . . 144 LYS HG3 . 51790 1
716 . 1 . 1 77 77 LYS HD2 H 1 1.595 0.020 . 2 . . . . . 144 LYS HD2 . 51790 1
717 . 1 . 1 77 77 LYS HD3 H 1 1.607 0.020 . 2 . . . . . 144 LYS HD3 . 51790 1
718 . 1 . 1 77 77 LYS HE2 H 1 2.843 0.020 . 2 . . . . . 144 LYS HE2 . 51790 1
719 . 1 . 1 77 77 LYS HE3 H 1 2.850 0.020 . 2 . . . . . 144 LYS HE3 . 51790 1
720 . 1 . 1 77 77 LYS C C 13 179.287 0.3 . 1 . . . . . 144 LYS C . 51790 1
721 . 1 . 1 77 77 LYS CA C 13 59.067 0.3 . 1 . . . . . 144 LYS CA . 51790 1
722 . 1 . 1 77 77 LYS CB C 13 31.225 0.3 . 1 . . . . . 144 LYS CB . 51790 1
723 . 1 . 1 77 77 LYS CG C 13 24.042 0.3 . 1 . . . . . 144 LYS CG . 51790 1
724 . 1 . 1 77 77 LYS CE C 13 41.086 0.3 . 1 . . . . . 144 LYS CE . 51790 1
725 . 1 . 1 77 77 LYS N N 15 118.225 0.3 . 1 . . . . . 144 LYS N . 51790 1
726 . 1 . 1 78 78 ILE H H 1 6.605 0.020 . 1 . . . . . 145 ILE H . 51790 1
727 . 1 . 1 78 78 ILE HA H 1 4.613 0.020 . 1 . . . . . 145 ILE HA . 51790 1
728 . 1 . 1 78 78 ILE HB H 1 1.857 0.020 . 1 . . . . . 145 ILE HB . 51790 1
729 . 1 . 1 78 78 ILE HG21 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1
730 . 1 . 1 78 78 ILE HG22 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1
731 . 1 . 1 78 78 ILE HG23 H 1 0.956 0.020 . 1 . . . . . 145 ILE HG2 . 51790 1
732 . 1 . 1 78 78 ILE HD11 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1
733 . 1 . 1 78 78 ILE HD12 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1
734 . 1 . 1 78 78 ILE HD13 H 1 0.904 0.020 . 1 . . . . . 145 ILE HD1 . 51790 1
735 . 1 . 1 78 78 ILE C C 13 177.697 0.3 . 1 . . . . . 145 ILE C . 51790 1
736 . 1 . 1 78 78 ILE CA C 13 62.082 0.3 . 1 . . . . . 145 ILE CA . 51790 1
737 . 1 . 1 78 78 ILE CB C 13 35.943 0.3 . 1 . . . . . 145 ILE CB . 51790 1
738 . 1 . 1 78 78 ILE CG2 C 13 16.508 0.3 . 1 . . . . . 145 ILE CG2 . 51790 1
739 . 1 . 1 78 78 ILE CD1 C 13 10.782 0.3 . 1 . . . . . 145 ILE CD1 . 51790 1
740 . 1 . 1 78 78 ILE N N 15 119.060 0.3 . 1 . . . . . 145 ILE N . 51790 1
741 . 1 . 1 79 79 ALA H H 1 7.836 0.020 . 1 . . . . . 146 ALA H . 51790 1
742 . 1 . 1 79 79 ALA HA H 1 4.634 0.020 . 1 . . . . . 146 ALA HA . 51790 1
743 . 1 . 1 79 79 ALA HB1 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1
744 . 1 . 1 79 79 ALA HB2 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1
745 . 1 . 1 79 79 ALA HB3 H 1 1.625 0.020 . 1 . . . . . 146 ALA HB . 51790 1
746 . 1 . 1 79 79 ALA C C 13 180.871 0.3 . 1 . . . . . 146 ALA C . 51790 1
747 . 1 . 1 79 79 ALA CA C 13 55.251 0.3 . 1 . . . . . 146 ALA CA . 51790 1
748 . 1 . 1 79 79 ALA CB C 13 16.912 0.3 . 1 . . . . . 146 ALA CB . 51790 1
749 . 1 . 1 79 79 ALA N N 15 124.579 0.3 . 1 . . . . . 146 ALA N . 51790 1
750 . 1 . 1 80 80 ALA H H 1 8.485 0.020 . 1 . . . . . 147 ALA H . 51790 1
751 . 1 . 1 80 80 ALA HA H 1 4.094 0.020 . 1 . . . . . 147 ALA HA . 51790 1
752 . 1 . 1 80 80 ALA HB1 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1
753 . 1 . 1 80 80 ALA HB2 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1
754 . 1 . 1 80 80 ALA HB3 H 1 1.397 0.020 . 1 . . . . . 147 ALA HB . 51790 1
755 . 1 . 1 80 80 ALA C C 13 178.462 0.3 . 1 . . . . . 147 ALA C . 51790 1
756 . 1 . 1 80 80 ALA CA C 13 54.602 0.3 . 1 . . . . . 147 ALA CA . 51790 1
757 . 1 . 1 80 80 ALA CB C 13 17.654 0.3 . 1 . . . . . 147 ALA CB . 51790 1
758 . 1 . 1 80 80 ALA N N 15 121.275 0.3 . 1 . . . . . 147 ALA N . 51790 1
759 . 1 . 1 81 81 GLU H H 1 7.437 0.020 . 1 . . . . . 148 GLU H . 51790 1
760 . 1 . 1 81 81 GLU HA H 1 4.028 0.020 . 1 . . . . . 148 GLU HA . 51790 1
761 . 1 . 1 81 81 GLU C C 13 178.556 0.3 . 1 . . . . . 148 GLU C . 51790 1
762 . 1 . 1 81 81 GLU CA C 13 58.091 0.3 . 1 . . . . . 148 GLU CA . 51790 1
763 . 1 . 1 81 81 GLU CB C 13 28.150 0.3 . 1 . . . . . 148 GLU CB . 51790 1
764 . 1 . 1 81 81 GLU N N 15 120.461 0.3 . 1 . . . . . 148 GLU N . 51790 1
765 . 1 . 1 82 82 GLN H H 1 7.998 0.020 . 1 . . . . . 149 GLN H . 51790 1
766 . 1 . 1 82 82 GLN HA H 1 4.063 0.020 . 1 . . . . . 149 GLN HA . 51790 1
767 . 1 . 1 82 82 GLN HB2 H 1 2.080 0.020 . 1 . . . . . 149 GLN HB2 . 51790 1
768 . 1 . 1 82 82 GLN HG2 H 1 2.307 0.020 . 1 . . . . . 149 GLN HG2 . 51790 1
769 . 1 . 1 82 82 GLN C C 13 178.683 0.3 . 1 . . . . . 149 GLN C . 51790 1
770 . 1 . 1 82 82 GLN CA C 13 58.535 0.3 . 1 . . . . . 149 GLN CA . 51790 1
771 . 1 . 1 82 82 GLN CB C 13 28.044 0.3 . 1 . . . . . 149 GLN CB . 51790 1
772 . 1 . 1 82 82 GLN N N 15 116.747 0.3 . 1 . . . . . 149 GLN N . 51790 1
773 . 1 . 1 83 83 ALA H H 1 7.359 0.020 . 1 . . . . . 150 ALA H . 51790 1
774 . 1 . 1 83 83 ALA HB1 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1
775 . 1 . 1 83 83 ALA HB2 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1
776 . 1 . 1 83 83 ALA HB3 H 1 1.277 0.020 . 1 . . . . . 150 ALA HB . 51790 1
777 . 1 . 1 83 83 ALA C C 13 178.399 0.3 . 1 . . . . . 150 ALA C . 51790 1
778 . 1 . 1 83 83 ALA CA C 13 54.810 0.3 . 1 . . . . . 150 ALA CA . 51790 1
779 . 1 . 1 83 83 ALA CB C 13 15.598 0.3 . 1 . . . . . 150 ALA CB . 51790 1
780 . 1 . 1 83 83 ALA N N 15 125.359 0.3 . 1 . . . . . 150 ALA N . 51790 1
781 . 1 . 1 84 84 ALA H H 1 8.055 0.020 . 1 . . . . . 151 ALA H . 51790 1
782 . 1 . 1 84 84 ALA HA H 1 4.315 0.020 . 1 . . . . . 151 ALA HA . 51790 1
783 . 1 . 1 84 84 ALA HB1 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1
784 . 1 . 1 84 84 ALA HB2 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1
785 . 1 . 1 84 84 ALA HB3 H 1 1.495 0.020 . 1 . . . . . 151 ALA HB . 51790 1
786 . 1 . 1 84 84 ALA C C 13 179.351 0.3 . 1 . . . . . 151 ALA C . 51790 1
787 . 1 . 1 84 84 ALA CA C 13 54.662 0.3 . 1 . . . . . 151 ALA CA . 51790 1
788 . 1 . 1 84 84 ALA CB C 13 15.661 0.3 . 1 . . . . . 151 ALA CB . 51790 1
789 . 1 . 1 84 84 ALA N N 15 120.782 0.3 . 1 . . . . . 151 ALA N . 51790 1
790 . 1 . 1 85 85 GLU H H 1 8.298 0.020 . 1 . . . . . 152 GLU H . 51790 1
791 . 1 . 1 85 85 GLU HA H 1 3.721 0.020 . 1 . . . . . 152 GLU HA . 51790 1
792 . 1 . 1 85 85 GLU HB2 H 1 2.205 0.020 . 2 . . . . . 152 GLU HB2 . 51790 1
793 . 1 . 1 85 85 GLU HB3 H 1 2.223 0.020 . 2 . . . . . 152 GLU HB3 . 51790 1
794 . 1 . 1 85 85 GLU HG2 H 1 2.557 0.020 . 2 . . . . . 152 GLU HG2 . 51790 1
795 . 1 . 1 85 85 GLU HG3 H 1 2.531 0.020 . 2 . . . . . 152 GLU HG3 . 51790 1
796 . 1 . 1 85 85 GLU C C 13 179.243 0.3 . 1 . . . . . 152 GLU C . 51790 1
797 . 1 . 1 85 85 GLU CA C 13 59.135 0.3 . 1 . . . . . 152 GLU CA . 51790 1
798 . 1 . 1 85 85 GLU CB C 13 28.648 0.3 . 1 . . . . . 152 GLU CB . 51790 1
799 . 1 . 1 85 85 GLU CG C 13 35.855 0.3 . 1 . . . . . 152 GLU CG . 51790 1
800 . 1 . 1 85 85 GLU N N 15 119.783 0.3 . 1 . . . . . 152 GLU N . 51790 1
801 . 1 . 1 86 86 ALA H H 1 7.252 0.020 . 1 . . . . . 153 ALA H . 51790 1
802 . 1 . 1 86 86 ALA HB1 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1
803 . 1 . 1 86 86 ALA HB2 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1
804 . 1 . 1 86 86 ALA HB3 H 1 1.184 0.020 . 1 . . . . . 153 ALA HB . 51790 1
805 . 1 . 1 86 86 ALA C C 13 178.360 0.3 . 1 . . . . . 153 ALA C . 51790 1
806 . 1 . 1 86 86 ALA CA C 13 54.303 0.3 . 1 . . . . . 153 ALA CA . 51790 1
807 . 1 . 1 86 86 ALA CB C 13 17.314 0.3 . 1 . . . . . 153 ALA CB . 51790 1
808 . 1 . 1 86 86 ALA N N 15 124.961 0.3 . 1 . . . . . 153 ALA N . 51790 1
809 . 1 . 1 87 87 ALA H H 1 7.318 0.020 . 1 . . . . . 154 ALA H . 51790 1
810 . 1 . 1 87 87 ALA HA H 1 4.279 0.020 . 1 . . . . . 154 ALA HA . 51790 1
811 . 1 . 1 87 87 ALA HB1 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1
812 . 1 . 1 87 87 ALA HB2 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1
813 . 1 . 1 87 87 ALA HB3 H 1 1.310 0.020 . 1 . . . . . 154 ALA HB . 51790 1
814 . 1 . 1 87 87 ALA C C 13 179.569 0.3 . 1 . . . . . 154 ALA C . 51790 1
815 . 1 . 1 87 87 ALA CA C 13 55.130 0.3 . 1 . . . . . 154 ALA CA . 51790 1
816 . 1 . 1 87 87 ALA CB C 13 17.760 0.3 . 1 . . . . . 154 ALA CB . 51790 1
817 . 1 . 1 87 87 ALA N N 15 121.443 0.3 . 1 . . . . . 154 ALA N . 51790 1
818 . 1 . 1 88 88 LEU H H 1 8.402 0.020 . 1 . . . . . 155 LEU H . 51790 1
819 . 1 . 1 88 88 LEU HA H 1 3.789 0.020 . 1 . . . . . 155 LEU HA . 51790 1
820 . 1 . 1 88 88 LEU HB3 H 1 1.338 0.020 . 1 . . . . . 155 LEU HB3 . 51790 1
821 . 1 . 1 88 88 LEU HD11 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1
822 . 1 . 1 88 88 LEU HD12 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1
823 . 1 . 1 88 88 LEU HD13 H 1 0.687 0.020 . 1 . . . . . 155 LEU HD1 . 51790 1
824 . 1 . 1 88 88 LEU C C 13 179.078 0.3 . 1 . . . . . 155 LEU C . 51790 1
825 . 1 . 1 88 88 LEU CA C 13 57.228 0.3 . 1 . . . . . 155 LEU CA . 51790 1
826 . 1 . 1 88 88 LEU CB C 13 40.474 0.3 . 1 . . . . . 155 LEU CB . 51790 1
827 . 1 . 1 88 88 LEU CD1 C 13 25.468 0.3 . 1 . . . . . 155 LEU CD1 . 51790 1
828 . 1 . 1 88 88 LEU CD2 C 13 25.335 0.3 . 1 . . . . . 155 LEU CD2 . 51790 1
829 . 1 . 1 88 88 LEU N N 15 118.426 0.3 . 1 . . . . . 155 LEU N . 51790 1
830 . 1 . 1 89 89 TRP H H 1 8.007 0.020 . 1 . . . . . 156 TRP H . 51790 1
831 . 1 . 1 89 89 TRP HB2 H 1 3.087 0.020 . 2 . . . . . 156 TRP HB2 . 51790 1
832 . 1 . 1 89 89 TRP HB3 H 1 2.942 0.020 . 2 . . . . . 156 TRP HB3 . 51790 1
833 . 1 . 1 89 89 TRP HD1 H 1 7.289 0.020 . 1 . . . . . 156 TRP HD1 . 51790 1
834 . 1 . 1 89 89 TRP C C 13 178.531 0.3 . 1 . . . . . 156 TRP C . 51790 1
835 . 1 . 1 89 89 TRP CA C 13 60.795 0.3 . 1 . . . . . 156 TRP CA . 51790 1
836 . 1 . 1 89 89 TRP CB C 13 27.321 0.3 . 1 . . . . . 156 TRP CB . 51790 1
837 . 1 . 1 89 89 TRP N N 15 123.394 0.3 . 1 . . . . . 156 TRP N . 51790 1
838 . 1 . 1 90 90 TYR H H 1 8.195 0.020 . 1 . . . . . 157 TYR H . 51790 1
839 . 1 . 1 90 90 TYR C C 13 176.536 0.3 . 1 . . . . . 157 TYR C . 51790 1
840 . 1 . 1 90 90 TYR CA C 13 62.612 0.3 . 1 . . . . . 157 TYR CA . 51790 1
841 . 1 . 1 90 90 TYR CB C 13 37.429 0.3 . 1 . . . . . 157 TYR CB . 51790 1
842 . 1 . 1 90 90 TYR N N 15 124.188 0.3 . 1 . . . . . 157 TYR N . 51790 1
843 . 1 . 1 91 91 LEU H H 1 8.374 0.020 . 1 . . . . . 158 LEU H . 51790 1
844 . 1 . 1 91 91 LEU HA H 1 4.614 0.020 . 1 . . . . . 158 LEU HA . 51790 1
845 . 1 . 1 91 91 LEU HG H 1 1.025 0.020 . 1 . . . . . 158 LEU HG . 51790 1
846 . 1 . 1 91 91 LEU HD11 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1
847 . 1 . 1 91 91 LEU HD12 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1
848 . 1 . 1 91 91 LEU HD13 H 1 0.793 0.020 . 1 . . . . . 158 LEU HD1 . 51790 1
849 . 1 . 1 91 91 LEU C C 13 178.723 0.3 . 1 . . . . . 158 LEU C . 51790 1
850 . 1 . 1 91 91 LEU CA C 13 56.705 0.3 . 1 . . . . . 158 LEU CA . 51790 1
851 . 1 . 1 91 91 LEU CB C 13 39.601 0.3 . 1 . . . . . 158 LEU CB . 51790 1
852 . 1 . 1 91 91 LEU CG C 13 25.786 0.3 . 1 . . . . . 158 LEU CG . 51790 1
853 . 1 . 1 91 91 LEU CD1 C 13 25.501 0.3 . 1 . . . . . 158 LEU CD1 . 51790 1
854 . 1 . 1 91 91 LEU N N 15 118.717 0.3 . 1 . . . . . 158 LEU N . 51790 1
855 . 1 . 1 92 92 LYS H H 1 8.187 0.020 . 1 . . . . . 159 LYS H . 51790 1
856 . 1 . 1 92 92 LYS HB2 H 1 1.712 0.020 . 1 . . . . . 159 LYS HB2 . 51790 1
857 . 1 . 1 92 92 LYS HG2 H 1 1.146 0.020 . 1 . . . . . 159 LYS HG2 . 51790 1
858 . 1 . 1 92 92 LYS HD2 H 1 1.623 0.020 . 1 . . . . . 159 LYS HD2 . 51790 1
859 . 1 . 1 92 92 LYS HE2 H 1 2.782 0.020 . 1 . . . . . 159 LYS HE2 . 51790 1
860 . 1 . 1 92 92 LYS C C 13 179.866 0.3 . 1 . . . . . 159 LYS C . 51790 1
861 . 1 . 1 92 92 LYS CA C 13 58.209 0.3 . 1 . . . . . 159 LYS CA . 51790 1
862 . 1 . 1 92 92 LYS CB C 13 30.732 0.3 . 1 . . . . . 159 LYS CB . 51790 1
863 . 1 . 1 92 92 LYS CG C 13 23.629 0.3 . 1 . . . . . 159 LYS CG . 51790 1
864 . 1 . 1 92 92 LYS CD C 13 28.430 0.3 . 1 . . . . . 159 LYS CD . 51790 1
865 . 1 . 1 92 92 LYS N N 15 120.368 0.3 . 1 . . . . . 159 LYS N . 51790 1
866 . 1 . 1 93 93 ASN H H 1 7.121 0.020 . 1 . . . . . 160 ASN H . 51790 1
867 . 1 . 1 93 93 ASN C C 13 176.075 0.3 . 1 . . . . . 160 ASN C . 51790 1
868 . 1 . 1 93 93 ASN CA C 13 55.250 0.3 . 1 . . . . . 160 ASN CA . 51790 1
869 . 1 . 1 93 93 ASN CB C 13 37.945 0.3 . 1 . . . . . 160 ASN CB . 51790 1
870 . 1 . 1 93 93 ASN N N 15 119.779 0.3 . 1 . . . . . 160 ASN N . 51790 1
871 . 1 . 1 94 94 VAL H H 1 7.244 0.020 . 1 . . . . . 161 VAL H . 51790 1
872 . 1 . 1 94 94 VAL HG11 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1
873 . 1 . 1 94 94 VAL HG12 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1
874 . 1 . 1 94 94 VAL HG13 H 1 0.619 0.020 . 2 . . . . . 161 VAL HG1 . 51790 1
875 . 1 . 1 94 94 VAL HG21 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1
876 . 1 . 1 94 94 VAL HG22 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1
877 . 1 . 1 94 94 VAL HG23 H 1 0.541 0.020 . 2 . . . . . 161 VAL HG2 . 51790 1
878 . 1 . 1 94 94 VAL C C 13 175.922 0.3 . 1 . . . . . 161 VAL C . 51790 1
879 . 1 . 1 94 94 VAL CA C 13 60.895 0.3 . 1 . . . . . 161 VAL CA . 51790 1
880 . 1 . 1 94 94 VAL CB C 13 29.550 0.3 . 1 . . . . . 161 VAL CB . 51790 1
881 . 1 . 1 94 94 VAL CG1 C 13 18.718 0.3 . 1 . . . . . 161 VAL CG1 . 51790 1
882 . 1 . 1 94 94 VAL CG2 C 13 19.490 0.3 . 1 . . . . . 161 VAL CG2 . 51790 1
883 . 1 . 1 94 94 VAL N N 15 113.470 0.3 . 1 . . . . . 161 VAL N . 51790 1
884 . 1 . 1 95 95 GLY H H 1 7.179 0.020 . 1 . . . . . 162 GLY H . 51790 1
885 . 1 . 1 95 95 GLY HA2 H 1 3.942 0.020 . 2 . . . . . 162 GLY HA2 . 51790 1
886 . 1 . 1 95 95 GLY HA3 H 1 3.625 0.020 . 2 . . . . . 162 GLY HA3 . 51790 1
887 . 1 . 1 95 95 GLY C C 13 174.537 0.3 . 1 . . . . . 162 GLY C . 51790 1
888 . 1 . 1 95 95 GLY CA C 13 45.246 0.3 . 1 . . . . . 162 GLY CA . 51790 1
889 . 1 . 1 95 95 GLY N N 15 109.596 0.3 . 1 . . . . . 162 GLY N . 51790 1
stop_
save_