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 19027
_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 .
_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 .
_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' . . . 19027 1
2 '2D 1H-13C HSQC' . . . 19027 1
3 '3D CBCA(CO)NH' . . . 19027 1
4 '3D HNCO' . . . 19027 1
5 '3D HNCACB' . . . 19027 1
6 '3D HCCH-TOCSY' . . . 19027 1
7 '3D 1H-15N NOESY' . . . 19027 1
8 '3D 1H-13C NOESY' . . . 19027 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 1 1 MET HA H 1 4.532 0.05 . 1 . . . A 1 MET HA . 19027 1
2 . 1 1 1 1 MET HB3 H 1 1.986 0.05 . 1 . . . A 1 MET HB3 . 19027 1
3 . 1 1 1 1 MET HG3 H 1 2.536 0.05 . 1 . . . A 1 MET HG3 . 19027 1
4 . 1 1 1 1 MET HE1 H 1 2.376 0.05 . 1 . . . A 1 MET HE1 . 19027 1
5 . 1 1 1 1 MET HE2 H 1 2.376 0.05 . 1 . . . A 1 MET HE2 . 19027 1
6 . 1 1 1 1 MET HE3 H 1 2.376 0.05 . 1 . . . A 1 MET HE3 . 19027 1
7 . 1 1 1 1 MET C C 13 175.970 0.10 . 1 . . . A 1 MET C . 19027 1
8 . 1 1 1 1 MET CA C 13 56.739 0.10 . 1 . . . A 1 MET CA . 19027 1
9 . 1 1 1 1 MET CB C 13 34.430 0.10 . 1 . . . A 1 MET CB . 19027 1
10 . 1 1 2 2 THR H H 1 9.154 0.05 . 1 . . . A 2 THR H . 19027 1
11 . 1 1 2 2 THR HA H 1 4.410 0.05 . 1 . . . A 2 THR HA . 19027 1
12 . 1 1 2 2 THR HB H 1 3.855 0.05 . 1 . . . A 2 THR HB . 19027 1
13 . 1 1 2 2 THR HG21 H 1 0.887 0.05 . 1 . . . A 2 THR HG21 . 19027 1
14 . 1 1 2 2 THR HG22 H 1 0.887 0.05 . 1 . . . A 2 THR HG22 . 19027 1
15 . 1 1 2 2 THR HG23 H 1 0.887 0.05 . 1 . . . A 2 THR HG23 . 19027 1
16 . 1 1 2 2 THR C C 13 171.369 0.10 . 1 . . . A 2 THR C . 19027 1
17 . 1 1 2 2 THR CA C 13 61.966 0.10 . 1 . . . A 2 THR CA . 19027 1
18 . 1 1 2 2 THR CB C 13 71.197 0.10 . 1 . . . A 2 THR CB . 19027 1
19 . 1 1 2 2 THR CG2 C 13 21.765 0.10 . 1 . . . A 2 THR CG2 . 19027 1
20 . 1 1 2 2 THR N N 15 119.701 0.10 . 1 . . . A 2 THR N . 19027 1
21 . 1 1 3 3 ALA H H 1 8.067 0.05 . 1 . . . A 3 ALA H . 19027 1
22 . 1 1 3 3 ALA HA H 1 5.485 0.05 . 1 . . . A 3 ALA HA . 19027 1
23 . 1 1 3 3 ALA HB1 H 1 1.083 0.05 . 1 . . . A 3 ALA HB1 . 19027 1
24 . 1 1 3 3 ALA HB2 H 1 1.083 0.05 . 1 . . . A 3 ALA HB2 . 19027 1
25 . 1 1 3 3 ALA HB3 H 1 1.083 0.05 . 1 . . . A 3 ALA HB3 . 19027 1
26 . 1 1 3 3 ALA C C 13 174.550 0.10 . 1 . . . A 3 ALA C . 19027 1
27 . 1 1 3 3 ALA CA C 13 51.136 0.10 . 1 . . . A 3 ALA CA . 19027 1
28 . 1 1 3 3 ALA CB C 13 23.236 0.10 . 1 . . . A 3 ALA CB . 19027 1
29 . 1 1 3 3 ALA N N 15 125.223 0.10 . 1 . . . A 3 ALA N . 19027 1
30 . 1 1 4 4 TYR H H 1 9.008 0.05 . 1 . . . A 4 TYR H . 19027 1
31 . 1 1 4 4 TYR HA H 1 4.834 0.05 . 1 . . . A 4 TYR HA . 19027 1
32 . 1 1 4 4 TYR HB2 H 1 2.060 0.05 . 1 . . . A 4 TYR HB2 . 19027 1
33 . 1 1 4 4 TYR HB3 H 1 2.247 0.05 . 1 . . . A 4 TYR HB3 . 19027 1
34 . 1 1 4 4 TYR HD1 H 1 6.141 0.05 . 1 . . . A 4 TYR HD1 . 19027 1
35 . 1 1 4 4 TYR HD2 H 1 6.141 0.05 . 1 . . . A 4 TYR HD2 . 19027 1
36 . 1 1 4 4 TYR C C 13 174.331 0.10 . 1 . . . A 4 TYR C . 19027 1
37 . 1 1 4 4 TYR CA C 13 57.792 0.10 . 1 . . . A 4 TYR CA . 19027 1
38 . 1 1 4 4 TYR CB C 13 44.073 0.10 . 1 . . . A 4 TYR CB . 19027 1
39 . 1 1 4 4 TYR N N 15 119.327 0.10 . 1 . . . A 4 TYR N . 19027 1
40 . 1 1 5 5 ARG H H 1 9.374 0.05 . 1 . . . A 5 ARG H . 19027 1
41 . 1 1 5 5 ARG HA H 1 5.482 0.05 . 1 . . . A 5 ARG HA . 19027 1
42 . 1 1 5 5 ARG HB2 H 1 1.669 0.05 . 1 . . . A 5 ARG HB2 . 19027 1
43 . 1 1 5 5 ARG HB3 H 1 1.496 0.05 . 1 . . . A 5 ARG HB3 . 19027 1
44 . 1 1 5 5 ARG HG3 H 1 1.279 0.05 . 1 . . . A 5 ARG HG3 . 19027 1
45 . 1 1 5 5 ARG HD2 H 1 3.049 0.05 . 1 . . . A 5 ARG HD2 . 19027 1
46 . 1 1 5 5 ARG HD3 H 1 2.972 0.05 . 1 . . . A 5 ARG HD3 . 19027 1
47 . 1 1 5 5 ARG C C 13 174.456 0.10 . 1 . . . A 5 ARG C . 19027 1
48 . 1 1 5 5 ARG CA C 13 54.571 0.10 . 1 . . . A 5 ARG CA . 19027 1
49 . 1 1 5 5 ARG CB C 13 36.478 0.10 . 1 . . . A 5 ARG CB . 19027 1
50 . 1 1 5 5 ARG CG C 13 27.434 0.10 . 1 . . . A 5 ARG CG . 19027 1
51 . 1 1 5 5 ARG CD C 13 44.308 0.10 . 1 . . . A 5 ARG CD . 19027 1
52 . 1 1 5 5 ARG N N 15 122.617 0.10 . 1 . . . A 5 ARG N . 19027 1
53 . 1 1 6 6 CYS H H 1 9.180 0.05 . 1 . . . A 6 CYS H . 19027 1
54 . 1 1 6 6 CYS HA H 1 3.306 0.05 . 1 . . . A 6 CYS HA . 19027 1
55 . 1 1 6 6 CYS CA C 13 57.218 0.10 . 1 . . . A 6 CYS CA . 19027 1
56 . 1 1 6 6 CYS CB C 13 32.612 0.10 . 1 . . . A 6 CYS CB . 19027 1
57 . 1 1 6 6 CYS N N 15 131.493 0.10 . 1 . . . A 6 CYS N . 19027 1
58 . 1 1 7 7 PRO HA H 1 4.383 0.05 . 1 . . . A 7 PRO HA . 19027 1
59 . 1 1 7 7 PRO HB2 H 1 2.176 0.05 . 1 . . . A 7 PRO HB2 . 19027 1
60 . 1 1 7 7 PRO HG2 H 1 1.939 0.05 . 1 . . . A 7 PRO HG2 . 19027 1
61 . 1 1 7 7 PRO HG3 H 1 2.002 0.05 . 1 . . . A 7 PRO HG3 . 19027 1
62 . 1 1 7 7 PRO HD3 H 1 3.496 0.05 . 1 . . . A 7 PRO HD3 . 19027 1
63 . 1 1 7 7 PRO C C 13 177.281 0.10 . 1 . . . A 7 PRO C . 19027 1
64 . 1 1 7 7 PRO CA C 13 64.699 0.10 . 1 . . . A 7 PRO CA . 19027 1
65 . 1 1 7 7 PRO CB C 13 33.138 0.10 . 1 . . . A 7 PRO CB . 19027 1
66 . 1 1 7 7 PRO CG C 13 28.106 0.10 . 1 . . . A 7 PRO CG . 19027 1
67 . 1 1 7 7 PRO CD C 13 50.625 0.10 . 1 . . . A 7 PRO CD . 19027 1
68 . 1 1 8 8 VAL H H 1 9.396 0.05 . 1 . . . A 8 VAL H . 19027 1
69 . 1 1 8 8 VAL HA H 1 3.865 0.05 . 1 . . . A 8 VAL HA . 19027 1
70 . 1 1 8 8 VAL HB H 1 2.241 0.05 . 1 . . . A 8 VAL HB . 19027 1
71 . 1 1 8 8 VAL HG11 H 1 0.748 0.05 . 1 . . . A 8 VAL HG11 . 19027 1
72 . 1 1 8 8 VAL HG12 H 1 0.748 0.05 . 1 . . . A 8 VAL HG12 . 19027 1
73 . 1 1 8 8 VAL HG13 H 1 0.748 0.05 . 1 . . . A 8 VAL HG13 . 19027 1
74 . 1 1 8 8 VAL HG21 H 1 0.699 0.05 . 1 . . . A 8 VAL HG21 . 19027 1
75 . 1 1 8 8 VAL HG22 H 1 0.699 0.05 . 1 . . . A 8 VAL HG22 . 19027 1
76 . 1 1 8 8 VAL HG23 H 1 0.699 0.05 . 1 . . . A 8 VAL HG23 . 19027 1
77 . 1 1 8 8 VAL C C 13 177.405 0.10 . 1 . . . A 8 VAL C . 19027 1
78 . 1 1 8 8 VAL CA C 13 66.224 0.10 . 1 . . . A 8 VAL CA . 19027 1
79 . 1 1 8 8 VAL CB C 13 33.281 0.10 . 1 . . . A 8 VAL CB . 19027 1
80 . 1 1 8 8 VAL CG1 C 13 24.123 0.10 . 1 . . . A 8 VAL CG1 . 19027 1
81 . 1 1 8 8 VAL CG2 C 13 21.845 0.10 . 1 . . . A 8 VAL CG2 . 19027 1
82 . 1 1 8 8 VAL N N 15 125.048 0.10 . 1 . . . A 8 VAL N . 19027 1
83 . 1 1 9 9 CYS H H 1 8.536 0.05 . 1 . . . A 9 CYS H . 19027 1
84 . 1 1 9 9 CYS HA H 1 4.843 0.05 . 1 . . . A 9 CYS HA . 19027 1
85 . 1 1 9 9 CYS HB2 H 1 2.401 0.05 . 1 . . . A 9 CYS HB2 . 19027 1
86 . 1 1 9 9 CYS HB3 H 1 3.186 0.05 . 1 . . . A 9 CYS HB3 . 19027 1
87 . 1 1 9 9 CYS C C 13 176.232 0.10 . 1 . . . A 9 CYS C . 19027 1
88 . 1 1 9 9 CYS CA C 13 59.872 0.10 . 1 . . . A 9 CYS CA . 19027 1
89 . 1 1 9 9 CYS CB C 13 33.899 0.10 . 1 . . . A 9 CYS CB . 19027 1
90 . 1 1 9 9 CYS N N 15 121.339 0.10 . 1 . . . A 9 CYS N . 19027 1
91 . 1 1 10 10 ASP H H 1 7.829 0.05 . 1 . . . A 10 ASP H . 19027 1
92 . 1 1 10 10 ASP HA H 1 4.231 0.05 . 1 . . . A 10 ASP HA . 19027 1
93 . 1 1 10 10 ASP HB3 H 1 2.854 0.05 . 1 . . . A 10 ASP HB3 . 19027 1
94 . 1 1 10 10 ASP C C 13 175.398 0.10 . 1 . . . A 10 ASP C . 19027 1
95 . 1 1 10 10 ASP CA C 13 58.005 0.10 . 1 . . . A 10 ASP CA . 19027 1
96 . 1 1 10 10 ASP CB C 13 41.320 0.10 . 1 . . . A 10 ASP CB . 19027 1
97 . 1 1 10 10 ASP N N 15 118.066 0.10 . 1 . . . A 10 ASP N . 19027 1
98 . 1 1 11 11 TYR H H 1 9.158 0.05 . 1 . . . A 11 TYR H . 19027 1
99 . 1 1 11 11 TYR HA H 1 4.163 0.05 . 1 . . . A 11 TYR HA . 19027 1
100 . 1 1 11 11 TYR HB2 H 1 3.240 0.05 . 1 . . . A 11 TYR HB2 . 19027 1
101 . 1 1 11 11 TYR HB3 H 1 3.076 0.05 . 1 . . . A 11 TYR HB3 . 19027 1
102 . 1 1 11 11 TYR HD1 H 1 7.330 0.05 . 1 . . . A 11 TYR HD1 . 19027 1
103 . 1 1 11 11 TYR HD2 H 1 7.330 0.05 . 1 . . . A 11 TYR HD2 . 19027 1
104 . 1 1 11 11 TYR C C 13 174.865 0.10 . 1 . . . A 11 TYR C . 19027 1
105 . 1 1 11 11 TYR CA C 13 62.639 0.10 . 1 . . . A 11 TYR CA . 19027 1
106 . 1 1 11 11 TYR CB C 13 40.242 0.10 . 1 . . . A 11 TYR CB . 19027 1
107 . 1 1 11 11 TYR N N 15 127.926 0.10 . 1 . . . A 11 TYR N . 19027 1
108 . 1 1 12 12 THR H H 1 7.803 0.05 . 1 . . . A 12 THR H . 19027 1
109 . 1 1 12 12 THR HA H 1 5.097 0.05 . 1 . . . A 12 THR HA . 19027 1
110 . 1 1 12 12 THR HB H 1 3.646 0.05 . 1 . . . A 12 THR HB . 19027 1
111 . 1 1 12 12 THR HG21 H 1 0.851 0.05 . 1 . . . A 12 THR HG21 . 19027 1
112 . 1 1 12 12 THR HG22 H 1 0.851 0.05 . 1 . . . A 12 THR HG22 . 19027 1
113 . 1 1 12 12 THR HG23 H 1 0.851 0.05 . 1 . . . A 12 THR HG23 . 19027 1
114 . 1 1 12 12 THR C C 13 172.419 0.10 . 1 . . . A 12 THR C . 19027 1
115 . 1 1 12 12 THR CA C 13 61.689 0.10 . 1 . . . A 12 THR CA . 19027 1
116 . 1 1 12 12 THR CB C 13 72.538 0.10 . 1 . . . A 12 THR CB . 19027 1
117 . 1 1 12 12 THR CG2 C 13 21.473 0.10 . 1 . . . A 12 THR CG2 . 19027 1
118 . 1 1 12 12 THR N N 15 122.867 0.10 . 1 . . . A 12 THR N . 19027 1
119 . 1 1 13 13 TYR H H 1 9.633 0.05 . 1 . . . A 13 TYR H . 19027 1
120 . 1 1 13 13 TYR HA H 1 4.498 0.05 . 1 . . . A 13 TYR HA . 19027 1
121 . 1 1 13 13 TYR HB2 H 1 3.095 0.05 . 1 . . . A 13 TYR HB2 . 19027 1
122 . 1 1 13 13 TYR HB3 H 1 3.342 0.05 . 1 . . . A 13 TYR HB3 . 19027 1
123 . 1 1 13 13 TYR HD1 H 1 7.190 0.05 . 1 . . . A 13 TYR HD1 . 19027 1
124 . 1 1 13 13 TYR HD2 H 1 7.190 0.05 . 1 . . . A 13 TYR HD2 . 19027 1
125 . 1 1 13 13 TYR C C 13 172.434 0.10 . 1 . . . A 13 TYR C . 19027 1
126 . 1 1 13 13 TYR CA C 13 58.937 0.10 . 1 . . . A 13 TYR CA . 19027 1
127 . 1 1 13 13 TYR CB C 13 41.423 0.10 . 1 . . . A 13 TYR CB . 19027 1
128 . 1 1 13 13 TYR N N 15 128.551 0.10 . 1 . . . A 13 TYR N . 19027 1
129 . 1 1 14 14 ASP H H 1 8.871 0.05 . 1 . . . A 14 ASP H . 19027 1
130 . 1 1 14 14 ASP HA H 1 4.772 0.05 . 1 . . . A 14 ASP HA . 19027 1
131 . 1 1 14 14 ASP HB2 H 1 2.116 0.05 . 1 . . . A 14 ASP HB2 . 19027 1
132 . 1 1 14 14 ASP HB3 H 1 2.587 0.05 . 1 . . . A 14 ASP HB3 . 19027 1
133 . 1 1 14 14 ASP C C 13 175.913 0.10 . 1 . . . A 14 ASP C . 19027 1
134 . 1 1 14 14 ASP CA C 13 52.819 0.10 . 1 . . . A 14 ASP CA . 19027 1
135 . 1 1 14 14 ASP CB C 13 44.883 0.10 . 1 . . . A 14 ASP CB . 19027 1
136 . 1 1 14 14 ASP N N 15 130.010 0.10 . 1 . . . A 14 ASP N . 19027 1
137 . 1 1 15 15 GLU H H 1 8.513 0.05 . 1 . . . A 15 GLU H . 19027 1
138 . 1 1 15 15 GLU HA H 1 3.871 0.05 . 1 . . . A 15 GLU HA . 19027 1
139 . 1 1 15 15 GLU HB2 H 1 1.893 0.05 . 1 . . . A 15 GLU HB2 . 19027 1
140 . 1 1 15 15 GLU HB3 H 1 2.121 0.05 . 1 . . . A 15 GLU HB3 . 19027 1
141 . 1 1 15 15 GLU HG2 H 1 2.842 0.05 . 1 . . . A 15 GLU HG2 . 19027 1
142 . 1 1 15 15 GLU HG3 H 1 2.760 0.05 . 1 . . . A 15 GLU HG3 . 19027 1
143 . 1 1 15 15 GLU C C 13 177.377 0.10 . 1 . . . A 15 GLU C . 19027 1
144 . 1 1 15 15 GLU CA C 13 59.851 0.10 . 1 . . . A 15 GLU CA . 19027 1
145 . 1 1 15 15 GLU CB C 13 33.567 0.10 . 1 . . . A 15 GLU CB . 19027 1
146 . 1 1 15 15 GLU CG C 13 38.382 0.10 . 1 . . . A 15 GLU CG . 19027 1
147 . 1 1 15 15 GLU N N 15 124.543 0.10 . 1 . . . A 15 GLU N . 19027 1
148 . 1 1 16 16 GLY H H 1 8.415 0.05 . 1 . . . A 16 GLY H . 19027 1
149 . 1 1 16 16 GLY HA3 H 1 3.710 0.05 . 1 . . . A 16 GLY HA3 . 19027 1
150 . 1 1 16 16 GLY C C 13 175.805 0.10 . 1 . . . A 16 GLY C . 19027 1
151 . 1 1 16 16 GLY CA C 13 47.481 0.10 . 1 . . . A 16 GLY CA . 19027 1
152 . 1 1 16 16 GLY N N 15 101.955 0.10 . 1 . . . A 16 GLY N . 19027 1
153 . 1 1 17 17 LYS H H 1 7.518 0.05 . 1 . . . A 17 LYS H . 19027 1
154 . 1 1 17 17 LYS HA H 1 4.243 0.05 . 1 . . . A 17 LYS HA . 19027 1
155 . 1 1 17 17 LYS HB3 H 1 1.853 0.05 . 1 . . . A 17 LYS HB3 . 19027 1
156 . 1 1 17 17 LYS HG3 H 1 1.280 0.05 . 1 . . . A 17 LYS HG3 . 19027 1
157 . 1 1 17 17 LYS HD2 H 1 1.554 0.05 . 1 . . . A 17 LYS HD2 . 19027 1
158 . 1 1 17 17 LYS HD3 H 1 1.737 0.05 . 1 . . . A 17 LYS HD3 . 19027 1
159 . 1 1 17 17 LYS HE3 H 1 2.873 0.05 . 1 . . . A 17 LYS HE3 . 19027 1
160 . 1 1 17 17 LYS C C 13 178.731 0.10 . 1 . . . A 17 LYS C . 19027 1
161 . 1 1 17 17 LYS CA C 13 57.830 0.10 . 1 . . . A 17 LYS CA . 19027 1
162 . 1 1 17 17 LYS CB C 13 35.378 0.10 . 1 . . . A 17 LYS CB . 19027 1
163 . 1 1 17 17 LYS CG C 13 25.737 0.10 . 1 . . . A 17 LYS CG . 19027 1
164 . 1 1 17 17 LYS CD C 13 29.711 0.10 . 1 . . . A 17 LYS CD . 19027 1
165 . 1 1 17 17 LYS CE C 13 42.915 0.10 . 1 . . . A 17 LYS CE . 19027 1
166 . 1 1 17 17 LYS N N 15 118.967 0.10 . 1 . . . A 17 LYS N . 19027 1
167 . 1 1 18 18 GLY H H 1 8.340 0.05 . 1 . . . A 18 GLY H . 19027 1
168 . 1 1 18 18 GLY HA3 H 1 3.873 0.05 . 1 . . . A 18 GLY HA3 . 19027 1
169 . 1 1 18 18 GLY C C 13 174.014 0.10 . 1 . . . A 18 GLY C . 19027 1
170 . 1 1 18 18 GLY CA C 13 45.196 0.10 . 1 . . . A 18 GLY CA . 19027 1
171 . 1 1 18 18 GLY N N 15 105.920 0.10 . 1 . . . A 18 GLY N . 19027 1
172 . 1 1 19 19 ASP H H 1 9.398 0.05 . 1 . . . A 19 ASP H . 19027 1
173 . 1 1 19 19 ASP HA H 1 4.999 0.05 . 1 . . . A 19 ASP HA . 19027 1
174 . 1 1 19 19 ASP CA C 13 53.849 0.10 . 1 . . . A 19 ASP CA . 19027 1
175 . 1 1 19 19 ASP CB C 13 42.778 0.10 . 1 . . . A 19 ASP CB . 19027 1
176 . 1 1 19 19 ASP N N 15 115.186 0.10 . 1 . . . A 19 ASP N . 19027 1
177 . 1 1 20 20 PRO HA H 1 4.085 0.05 . 1 . . . A 20 PRO HA . 19027 1
178 . 1 1 20 20 PRO HB2 H 1 2.358 0.05 . 1 . . . A 20 PRO HB2 . 19027 1
179 . 1 1 20 20 PRO HB3 H 1 2.004 0.05 . 1 . . . A 20 PRO HB3 . 19027 1
180 . 1 1 20 20 PRO HG3 H 1 2.143 0.05 . 1 . . . A 20 PRO HG3 . 19027 1
181 . 1 1 20 20 PRO HD2 H 1 3.742 0.05 . 1 . . . A 20 PRO HD2 . 19027 1
182 . 1 1 20 20 PRO C C 13 179.781 0.10 . 1 . . . A 20 PRO C . 19027 1
183 . 1 1 20 20 PRO CA C 13 65.698 0.10 . 1 . . . A 20 PRO CA . 19027 1
184 . 1 1 20 20 PRO CB C 13 33.153 0.10 . 1 . . . A 20 PRO CB . 19027 1
185 . 1 1 20 20 PRO CG C 13 28.126 0.10 . 1 . . . A 20 PRO CG . 19027 1
186 . 1 1 20 20 PRO CD C 13 51.827 0.10 . 1 . . . A 20 PRO CD . 19027 1
187 . 1 1 21 21 ARG H H 1 8.130 0.05 . 1 . . . A 21 ARG H . 19027 1
188 . 1 1 21 21 ARG HA H 1 4.035 0.05 . 1 . . . A 21 ARG HA . 19027 1
189 . 1 1 21 21 ARG HB3 H 1 2.043 0.05 . 1 . . . A 21 ARG HB3 . 19027 1
190 . 1 1 21 21 ARG HG3 H 1 1.702 0.05 . 1 . . . A 21 ARG HG3 . 19027 1
191 . 1 1 21 21 ARG HD3 H 1 3.254 0.05 . 1 . . . A 21 ARG HD3 . 19027 1
192 . 1 1 21 21 ARG C C 13 178.035 0.10 . 1 . . . A 21 ARG C . 19027 1
193 . 1 1 21 21 ARG CA C 13 60.027 0.10 . 1 . . . A 21 ARG CA . 19027 1
194 . 1 1 21 21 ARG CB C 13 30.792 0.10 . 1 . . . A 21 ARG CB . 19027 1
195 . 1 1 21 21 ARG CG C 13 28.047 0.10 . 1 . . . A 21 ARG CG . 19027 1
196 . 1 1 21 21 ARG CD C 13 44.383 0.10 . 1 . . . A 21 ARG CD . 19027 1
197 . 1 1 21 21 ARG N N 15 119.558 0.10 . 1 . . . A 21 ARG N . 19027 1
198 . 1 1 22 22 GLU H H 1 7.351 0.05 . 1 . . . A 22 GLU H . 19027 1
199 . 1 1 22 22 GLU HA H 1 4.088 0.05 . 1 . . . A 22 GLU HA . 19027 1
200 . 1 1 22 22 GLU HB2 H 1 1.580 0.05 . 1 . . . A 22 GLU HB2 . 19027 1
201 . 1 1 22 22 GLU HB3 H 1 2.064 0.05 . 1 . . . A 22 GLU HB3 . 19027 1
202 . 1 1 22 22 GLU HG2 H 1 2.531 0.05 . 1 . . . A 22 GLU HG2 . 19027 1
203 . 1 1 22 22 GLU HG3 H 1 2.211 0.05 . 1 . . . A 22 GLU HG3 . 19027 1
204 . 1 1 22 22 GLU C C 13 175.223 0.10 . 1 . . . A 22 GLU C . 19027 1
205 . 1 1 22 22 GLU CA C 13 55.606 0.10 . 1 . . . A 22 GLU CA . 19027 1
206 . 1 1 22 22 GLU CB C 13 32.615 0.10 . 1 . . . A 22 GLU CB . 19027 1
207 . 1 1 22 22 GLU CG C 13 37.631 0.10 . 1 . . . A 22 GLU CG . 19027 1
208 . 1 1 22 22 GLU N N 15 115.743 0.10 . 1 . . . A 22 GLU N . 19027 1
209 . 1 1 23 23 GLY H H 1 7.418 0.05 . 1 . . . A 23 GLY H . 19027 1
210 . 1 1 23 23 GLY HA2 H 1 3.486 0.05 . 1 . . . A 23 GLY HA2 . 19027 1
211 . 1 1 23 23 GLY HA3 H 1 3.772 0.05 . 1 . . . A 23 GLY HA3 . 19027 1
212 . 1 1 23 23 GLY C C 13 173.653 0.10 . 1 . . . A 23 GLY C . 19027 1
213 . 1 1 23 23 GLY CA C 13 46.150 0.10 . 1 . . . A 23 GLY CA . 19027 1
214 . 1 1 23 23 GLY N N 15 104.201 0.10 . 1 . . . A 23 GLY N . 19027 1
215 . 1 1 24 24 PHE H H 1 7.332 0.05 . 1 . . . A 24 PHE H . 19027 1
216 . 1 1 24 24 PHE HA H 1 5.348 0.05 . 1 . . . A 24 PHE HA . 19027 1
217 . 1 1 24 24 PHE HB2 H 1 2.910 0.05 . 1 . . . A 24 PHE HB2 . 19027 1
218 . 1 1 24 24 PHE HB3 H 1 3.039 0.05 . 1 . . . A 24 PHE HB3 . 19027 1
219 . 1 1 24 24 PHE HD1 H 1 6.802 0.05 . 1 . . . A 24 PHE HD1 . 19027 1
220 . 1 1 24 24 PHE HD2 H 1 6.802 0.05 . 1 . . . A 24 PHE HD2 . 19027 1
221 . 1 1 24 24 PHE HE1 H 1 6.548 0.05 . 1 . . . A 24 PHE HE1 . 19027 1
222 . 1 1 24 24 PHE HE2 H 1 6.548 0.05 . 1 . . . A 24 PHE HE2 . 19027 1
223 . 1 1 24 24 PHE CA C 13 52.426 0.10 . 1 . . . A 24 PHE CA . 19027 1
224 . 1 1 24 24 PHE CB C 13 40.179 0.10 . 1 . . . A 24 PHE CB . 19027 1
225 . 1 1 24 24 PHE CD1 C 13 132.219 0.10 . 1 . . . A 24 PHE CD1 . 19027 1
226 . 1 1 24 24 PHE CD2 C 13 132.219 0.10 . 1 . . . A 24 PHE CD2 . 19027 1
227 . 1 1 24 24 PHE N N 15 119.913 0.10 . 1 . . . A 24 PHE N . 19027 1
228 . 1 1 25 25 PRO HA H 1 4.380 0.05 . 1 . . . A 25 PRO HA . 19027 1
229 . 1 1 25 25 PRO HB2 H 1 1.837 0.05 . 1 . . . A 25 PRO HB2 . 19027 1
230 . 1 1 25 25 PRO HB3 H 1 2.293 0.05 . 1 . . . A 25 PRO HB3 . 19027 1
231 . 1 1 25 25 PRO HG3 H 1 1.795 0.05 . 1 . . . A 25 PRO HG3 . 19027 1
232 . 1 1 25 25 PRO HD2 H 1 3.954 0.05 . 1 . . . A 25 PRO HD2 . 19027 1
233 . 1 1 25 25 PRO HD3 H 1 3.783 0.05 . 1 . . . A 25 PRO HD3 . 19027 1
234 . 1 1 25 25 PRO C C 13 176.423 0.10 . 1 . . . A 25 PRO C . 19027 1
235 . 1 1 25 25 PRO CA C 13 63.164 0.10 . 1 . . . A 25 PRO CA . 19027 1
236 . 1 1 25 25 PRO CB C 13 33.773 0.10 . 1 . . . A 25 PRO CB . 19027 1
237 . 1 1 25 25 PRO CG C 13 27.978 0.10 . 1 . . . A 25 PRO CG . 19027 1
238 . 1 1 25 25 PRO CD C 13 52.308 0.10 . 1 . . . A 25 PRO CD . 19027 1
239 . 1 1 26 26 ALA H H 1 8.807 0.05 . 1 . . . A 26 ALA H . 19027 1
240 . 1 1 26 26 ALA HA H 1 3.410 0.05 . 1 . . . A 26 ALA HA . 19027 1
241 . 1 1 26 26 ALA HB1 H 1 1.260 0.05 . 1 . . . A 26 ALA HB1 . 19027 1
242 . 1 1 26 26 ALA HB2 H 1 1.260 0.05 . 1 . . . A 26 ALA HB2 . 19027 1
243 . 1 1 26 26 ALA HB3 H 1 1.260 0.05 . 1 . . . A 26 ALA HB3 . 19027 1
244 . 1 1 26 26 ALA C C 13 177.828 0.10 . 1 . . . A 26 ALA C . 19027 1
245 . 1 1 26 26 ALA CA C 13 55.354 0.10 . 1 . . . A 26 ALA CA . 19027 1
246 . 1 1 26 26 ALA CB C 13 18.850 0.10 . 1 . . . A 26 ALA CB . 19027 1
247 . 1 1 26 26 ALA N N 15 125.017 0.10 . 1 . . . A 26 ALA N . 19027 1
248 . 1 1 27 27 GLY H H 1 8.047 0.05 . 1 . . . A 27 GLY H . 19027 1
249 . 1 1 27 27 GLY HA2 H 1 3.487 0.05 . 1 . . . A 27 GLY HA2 . 19027 1
250 . 1 1 27 27 GLY HA3 H 1 4.159 0.05 . 1 . . . A 27 GLY HA3 . 19027 1
251 . 1 1 27 27 GLY C C 13 174.600 0.10 . 1 . . . A 27 GLY C . 19027 1
252 . 1 1 27 27 GLY CA C 13 46.388 0.10 . 1 . . . A 27 GLY CA . 19027 1
253 . 1 1 27 27 GLY N N 15 112.134 0.10 . 1 . . . A 27 GLY N . 19027 1
254 . 1 1 28 28 THR H H 1 7.629 0.05 . 1 . . . A 28 THR H . 19027 1
255 . 1 1 28 28 THR HA H 1 3.864 0.05 . 1 . . . A 28 THR HA . 19027 1
256 . 1 1 28 28 THR HB H 1 4.185 0.05 . 1 . . . A 28 THR HB . 19027 1
257 . 1 1 28 28 THR HG21 H 1 0.776 0.05 . 1 . . . A 28 THR HG21 . 19027 1
258 . 1 1 28 28 THR HG22 H 1 0.776 0.05 . 1 . . . A 28 THR HG22 . 19027 1
259 . 1 1 28 28 THR HG23 H 1 0.776 0.05 . 1 . . . A 28 THR HG23 . 19027 1
260 . 1 1 28 28 THR C C 13 174.146 0.10 . 1 . . . A 28 THR C . 19027 1
261 . 1 1 28 28 THR CA C 13 65.904 0.10 . 1 . . . A 28 THR CA . 19027 1
262 . 1 1 28 28 THR CB C 13 68.895 0.10 . 1 . . . A 28 THR CB . 19027 1
263 . 1 1 28 28 THR CG2 C 13 21.564 0.10 . 1 . . . A 28 THR CG2 . 19027 1
264 . 1 1 28 28 THR N N 15 117.918 0.10 . 1 . . . A 28 THR N . 19027 1
265 . 1 1 29 29 ARG H H 1 8.621 0.05 . 1 . . . A 29 ARG H . 19027 1
266 . 1 1 29 29 ARG HA H 1 4.233 0.05 . 1 . . . A 29 ARG HA . 19027 1
267 . 1 1 29 29 ARG HB2 H 1 1.995 0.05 . 1 . . . A 29 ARG HB2 . 19027 1
268 . 1 1 29 29 ARG HB3 H 1 1.737 0.05 . 1 . . . A 29 ARG HB3 . 19027 1
269 . 1 1 29 29 ARG HG3 H 1 1.525 0.05 . 1 . . . A 29 ARG HG3 . 19027 1
270 . 1 1 29 29 ARG HD2 H 1 3.102 0.05 . 1 . . . A 29 ARG HD2 . 19027 1
271 . 1 1 29 29 ARG HD3 H 1 3.191 0.05 . 1 . . . A 29 ARG HD3 . 19027 1
272 . 1 1 29 29 ARG C C 13 177.469 0.10 . 1 . . . A 29 ARG C . 19027 1
273 . 1 1 29 29 ARG CA C 13 56.070 0.10 . 1 . . . A 29 ARG CA . 19027 1
274 . 1 1 29 29 ARG CB C 13 32.377 0.10 . 1 . . . A 29 ARG CB . 19027 1
275 . 1 1 29 29 ARG CG C 13 28.413 0.10 . 1 . . . A 29 ARG CG . 19027 1
276 . 1 1 29 29 ARG CD C 13 43.691 0.10 . 1 . . . A 29 ARG CD . 19027 1
277 . 1 1 29 29 ARG N N 15 129.298 0.10 . 1 . . . A 29 ARG N . 19027 1
278 . 1 1 30 30 TRP H H 1 10.310 0.05 . 1 . . . A 30 TRP H . 19027 1
279 . 1 1 30 30 TRP HA H 1 3.985 0.05 . 1 . . . A 30 TRP HA . 19027 1
280 . 1 1 30 30 TRP HB2 H 1 2.991 0.05 . 1 . . . A 30 TRP HB2 . 19027 1
281 . 1 1 30 30 TRP HB3 H 1 2.857 0.05 . 1 . . . A 30 TRP HB3 . 19027 1
282 . 1 1 30 30 TRP HD1 H 1 6.523 0.05 . 1 . . . A 30 TRP HD1 . 19027 1
283 . 1 1 30 30 TRP C C 13 178.407 0.10 . 1 . . . A 30 TRP C . 19027 1
284 . 1 1 30 30 TRP CA C 13 60.243 0.10 . 1 . . . A 30 TRP CA . 19027 1
285 . 1 1 30 30 TRP CB C 13 32.213 0.10 . 1 . . . A 30 TRP CB . 19027 1
286 . 1 1 30 30 TRP CD1 C 13 126.582 0.10 . 1 . . . A 30 TRP CD1 . 19027 1
287 . 1 1 30 30 TRP N N 15 123.961 0.10 . 1 . . . A 30 TRP N . 19027 1
288 . 1 1 31 31 ASP H H 1 8.042 0.05 . 1 . . . A 31 ASP H . 19027 1
289 . 1 1 31 31 ASP HA H 1 4.093 0.05 . 1 . . . A 31 ASP HA . 19027 1
290 . 1 1 31 31 ASP HB2 H 1 2.584 0.05 . 1 . . . A 31 ASP HB2 . 19027 1
291 . 1 1 31 31 ASP HB3 H 1 2.474 0.05 . 1 . . . A 31 ASP HB3 . 19027 1
292 . 1 1 31 31 ASP C C 13 176.435 0.10 . 1 . . . A 31 ASP C . 19027 1
293 . 1 1 31 31 ASP CA C 13 56.056 0.10 . 1 . . . A 31 ASP CA . 19027 1
294 . 1 1 31 31 ASP CB C 13 40.739 0.10 . 1 . . . A 31 ASP CB . 19027 1
295 . 1 1 31 31 ASP N N 15 111.781 0.10 . 1 . . . A 31 ASP N . 19027 1
296 . 1 1 32 32 GLN H H 1 7.787 0.05 . 1 . . . A 32 GLN H . 19027 1
297 . 1 1 32 32 GLN HA H 1 3.949 0.05 . 1 . . . A 32 GLN HA . 19027 1
298 . 1 1 32 32 GLN HB3 H 1 1.959 0.05 . 1 . . . A 32 GLN HB3 . 19027 1
299 . 1 1 32 32 GLN HG2 H 1 2.141 0.05 . 1 . . . A 32 GLN HG2 . 19027 1
300 . 1 1 32 32 GLN HG3 H 1 2.149 0.05 . 1 . . . A 32 GLN HG3 . 19027 1
301 . 1 1 32 32 GLN HE21 H 1 7.564 0.05 . 1 . . . A 32 GLN HE21 . 19027 1
302 . 1 1 32 32 GLN HE22 H 1 6.730 0.05 . 1 . . . A 32 GLN HE22 . 19027 1
303 . 1 1 32 32 GLN C C 13 175.655 0.10 . 1 . . . A 32 GLN C . 19027 1
304 . 1 1 32 32 GLN CA C 13 56.282 0.10 . 1 . . . A 32 GLN CA . 19027 1
305 . 1 1 32 32 GLN CB C 13 30.867 0.10 . 1 . . . A 32 GLN CB . 19027 1
306 . 1 1 32 32 GLN CG C 13 36.189 0.10 . 1 . . . A 32 GLN CG . 19027 1
307 . 1 1 32 32 GLN CD C 13 180.620 0.10 . 1 . . . A 32 GLN CD . 19027 1
308 . 1 1 32 32 GLN N N 15 117.006 0.10 . 1 . . . A 32 GLN N . 19027 1
309 . 1 1 32 32 GLN NE2 N 15 112.925 0.10 . 1 . . . A 32 GLN NE2 . 19027 1
310 . 1 1 33 33 ILE H H 1 6.746 0.05 . 1 . . . A 33 ILE H . 19027 1
311 . 1 1 33 33 ILE HA H 1 3.306 0.05 . 1 . . . A 33 ILE HA . 19027 1
312 . 1 1 33 33 ILE HB H 1 0.446 0.05 . 1 . . . A 33 ILE HB . 19027 1
313 . 1 1 33 33 ILE HG12 H 1 0.195 0.05 . 1 . . . A 33 ILE HG12 . 19027 1
314 . 1 1 33 33 ILE HG13 H 1 -0.763 0.05 . 1 . . . A 33 ILE HG13 . 19027 1
315 . 1 1 33 33 ILE HG21 H 1 -0.535 0.05 . 1 . . . A 33 ILE HG21 . 19027 1
316 . 1 1 33 33 ILE HG22 H 1 -0.535 0.05 . 1 . . . A 33 ILE HG22 . 19027 1
317 . 1 1 33 33 ILE HG23 H 1 -0.535 0.05 . 1 . . . A 33 ILE HG23 . 19027 1
318 . 1 1 33 33 ILE HD11 H 1 -1.207 0.05 . 1 . . . A 33 ILE HD11 . 19027 1
319 . 1 1 33 33 ILE HD12 H 1 -1.207 0.05 . 1 . . . A 33 ILE HD12 . 19027 1
320 . 1 1 33 33 ILE HD13 H 1 -1.207 0.05 . 1 . . . A 33 ILE HD13 . 19027 1
321 . 1 1 33 33 ILE CA C 13 59.158 0.10 . 1 . . . A 33 ILE CA . 19027 1
322 . 1 1 33 33 ILE CB C 13 38.472 0.10 . 1 . . . A 33 ILE CB . 19027 1
323 . 1 1 33 33 ILE CG1 C 13 27.359 0.10 . 1 . . . A 33 ILE CG1 . 19027 1
324 . 1 1 33 33 ILE CG2 C 13 15.168 0.10 . 1 . . . A 33 ILE CG2 . 19027 1
325 . 1 1 33 33 ILE CD1 C 13 11.044 0.10 . 1 . . . A 33 ILE CD1 . 19027 1
326 . 1 1 33 33 ILE N N 15 125.130 0.10 . 1 . . . A 33 ILE N . 19027 1
327 . 1 1 34 34 PRO HA H 1 4.067 0.05 . 1 . . . A 34 PRO HA . 19027 1
328 . 1 1 34 34 PRO HB2 H 1 2.262 0.05 . 1 . . . A 34 PRO HB2 . 19027 1
329 . 1 1 34 34 PRO HB3 H 1 1.910 0.05 . 1 . . . A 34 PRO HB3 . 19027 1
330 . 1 1 34 34 PRO HG3 H 1 2.058 0.05 . 1 . . . A 34 PRO HG3 . 19027 1
331 . 1 1 34 34 PRO HD2 H 1 3.642 0.05 . 1 . . . A 34 PRO HD2 . 19027 1
332 . 1 1 34 34 PRO HD3 H 1 3.211 0.05 . 1 . . . A 34 PRO HD3 . 19027 1
333 . 1 1 34 34 PRO C C 13 176.375 0.10 . 1 . . . A 34 PRO C . 19027 1
334 . 1 1 34 34 PRO CA C 13 64.319 0.10 . 1 . . . A 34 PRO CA . 19027 1
335 . 1 1 34 34 PRO CB C 13 33.598 0.10 . 1 . . . A 34 PRO CB . 19027 1
336 . 1 1 34 34 PRO CG C 13 28.552 0.10 . 1 . . . A 34 PRO CG . 19027 1
337 . 1 1 34 34 PRO CD C 13 52.151 0.10 . 1 . . . A 34 PRO CD . 19027 1
338 . 1 1 35 35 ASP H H 1 8.323 0.05 . 1 . . . A 35 ASP H . 19027 1
339 . 1 1 35 35 ASP HA H 1 4.070 0.05 . 1 . . . A 35 ASP HA . 19027 1
340 . 1 1 35 35 ASP HB2 H 1 2.368 0.05 . 1 . . . A 35 ASP HB2 . 19027 1
341 . 1 1 35 35 ASP HB3 H 1 2.507 0.05 . 1 . . . A 35 ASP HB3 . 19027 1
342 . 1 1 35 35 ASP C C 13 175.841 0.10 . 1 . . . A 35 ASP C . 19027 1
343 . 1 1 35 35 ASP CA C 13 57.984 0.10 . 1 . . . A 35 ASP CA . 19027 1
344 . 1 1 35 35 ASP CB C 13 41.663 0.10 . 1 . . . A 35 ASP CB . 19027 1
345 . 1 1 35 35 ASP N N 15 119.176 0.10 . 1 . . . A 35 ASP N . 19027 1
346 . 1 1 36 36 ASP H H 1 8.035 0.05 . 1 . . . A 36 ASP H . 19027 1
347 . 1 1 36 36 ASP HA H 1 4.484 0.05 . 1 . . . A 36 ASP HA . 19027 1
348 . 1 1 36 36 ASP HB2 H 1 2.387 0.05 . 1 . . . A 36 ASP HB2 . 19027 1
349 . 1 1 36 36 ASP HB3 H 1 2.830 0.05 . 1 . . . A 36 ASP HB3 . 19027 1
350 . 1 1 36 36 ASP C C 13 175.704 0.10 . 1 . . . A 36 ASP C . 19027 1
351 . 1 1 36 36 ASP CA C 13 53.225 0.10 . 1 . . . A 36 ASP CA . 19027 1
352 . 1 1 36 36 ASP CB C 13 40.353 0.10 . 1 . . . A 36 ASP CB . 19027 1
353 . 1 1 36 36 ASP N N 15 113.960 0.10 . 1 . . . A 36 ASP N . 19027 1
354 . 1 1 37 37 TRP H H 1 7.524 0.05 . 1 . . . A 37 TRP H . 19027 1
355 . 1 1 37 37 TRP HA H 1 4.175 0.05 . 1 . . . A 37 TRP HA . 19027 1
356 . 1 1 37 37 TRP HB2 H 1 2.946 0.05 . 1 . . . A 37 TRP HB2 . 19027 1
357 . 1 1 37 37 TRP HB3 H 1 2.797 0.05 . 1 . . . A 37 TRP HB3 . 19027 1
358 . 1 1 37 37 TRP HD1 H 1 7.261 0.05 . 1 . . . A 37 TRP HD1 . 19027 1
359 . 1 1 37 37 TRP HE1 H 1 10.238 0.05 . 1 . . . A 37 TRP HE1 . 19027 1
360 . 1 1 37 37 TRP C C 13 174.365 0.10 . 1 . . . A 37 TRP C . 19027 1
361 . 1 1 37 37 TRP CA C 13 60.445 0.10 . 1 . . . A 37 TRP CA . 19027 1
362 . 1 1 37 37 TRP CB C 13 30.338 0.10 . 1 . . . A 37 TRP CB . 19027 1
363 . 1 1 37 37 TRP CD1 C 13 127.095 0.10 . 1 . . . A 37 TRP CD1 . 19027 1
364 . 1 1 37 37 TRP N N 15 123.373 0.10 . 1 . . . A 37 TRP N . 19027 1
365 . 1 1 38 38 CYS H H 1 6.987 0.05 . 1 . . . A 38 CYS H . 19027 1
366 . 1 1 38 38 CYS HA H 1 4.553 0.05 . 1 . . . A 38 CYS HA . 19027 1
367 . 1 1 38 38 CYS HB2 H 1 2.207 0.05 . 1 . . . A 38 CYS HB2 . 19027 1
368 . 1 1 38 38 CYS HB3 H 1 2.409 0.05 . 1 . . . A 38 CYS HB3 . 19027 1
369 . 1 1 38 38 CYS C C 13 170.825 0.10 . 1 . . . A 38 CYS C . 19027 1
370 . 1 1 38 38 CYS CA C 13 56.470 0.10 . 1 . . . A 38 CYS CA . 19027 1
371 . 1 1 38 38 CYS CB C 13 31.776 0.10 . 1 . . . A 38 CYS CB . 19027 1
372 . 1 1 38 38 CYS N N 15 122.179 0.10 . 1 . . . A 38 CYS N . 19027 1
373 . 1 1 39 39 CYS H H 1 8.053 0.05 . 1 . . . A 39 CYS H . 19027 1
374 . 1 1 39 39 CYS HA H 1 3.585 0.05 . 1 . . . A 39 CYS HA . 19027 1
375 . 1 1 39 39 CYS HB3 H 1 2.809 0.05 . 1 . . . A 39 CYS HB3 . 19027 1
376 . 1 1 39 39 CYS CA C 13 58.215 0.10 . 1 . . . A 39 CYS CA . 19027 1
377 . 1 1 39 39 CYS CB C 13 32.590 0.10 . 1 . . . A 39 CYS CB . 19027 1
378 . 1 1 39 39 CYS N N 15 122.613 0.10 . 1 . . . A 39 CYS N . 19027 1
379 . 1 1 40 40 PRO HA H 1 3.989 0.05 . 1 . . . A 40 PRO HA . 19027 1
380 . 1 1 40 40 PRO HB2 H 1 1.544 0.05 . 1 . . . A 40 PRO HB2 . 19027 1
381 . 1 1 40 40 PRO HB3 H 1 2.066 0.05 . 1 . . . A 40 PRO HB3 . 19027 1
382 . 1 1 40 40 PRO HG2 H 1 1.354 0.05 . 1 . . . A 40 PRO HG2 . 19027 1
383 . 1 1 40 40 PRO HG3 H 1 1.566 0.05 . 1 . . . A 40 PRO HG3 . 19027 1
384 . 1 1 40 40 PRO HD2 H 1 2.584 0.05 . 1 . . . A 40 PRO HD2 . 19027 1
385 . 1 1 40 40 PRO HD3 H 1 3.096 0.05 . 1 . . . A 40 PRO HD3 . 19027 1
386 . 1 1 40 40 PRO C C 13 176.898 0.10 . 1 . . . A 40 PRO C . 19027 1
387 . 1 1 40 40 PRO CA C 13 64.560 0.10 . 1 . . . A 40 PRO CA . 19027 1
388 . 1 1 40 40 PRO CB C 13 33.524 0.10 . 1 . . . A 40 PRO CB . 19027 1
389 . 1 1 40 40 PRO CG C 13 28.050 0.10 . 1 . . . A 40 PRO CG . 19027 1
390 . 1 1 40 40 PRO CD C 13 52.344 0.10 . 1 . . . A 40 PRO CD . 19027 1
391 . 1 1 41 41 ASP H H 1 8.514 0.05 . 1 . . . A 41 ASP H . 19027 1
392 . 1 1 41 41 ASP HA H 1 4.673 0.05 . 1 . . . A 41 ASP HA . 19027 1
393 . 1 1 41 41 ASP HB2 H 1 2.989 0.05 . 1 . . . A 41 ASP HB2 . 19027 1
394 . 1 1 41 41 ASP HB3 H 1 2.863 0.05 . 1 . . . A 41 ASP HB3 . 19027 1
395 . 1 1 41 41 ASP C C 13 177.521 0.10 . 1 . . . A 41 ASP C . 19027 1
396 . 1 1 41 41 ASP CA C 13 56.575 0.10 . 1 . . . A 41 ASP CA . 19027 1
397 . 1 1 41 41 ASP CB C 13 42.949 0.10 . 1 . . . A 41 ASP CB . 19027 1
398 . 1 1 41 41 ASP N N 15 122.580 0.10 . 1 . . . A 41 ASP N . 19027 1
399 . 1 1 42 42 CYS H H 1 8.489 0.05 . 1 . . . A 42 CYS H . 19027 1
400 . 1 1 42 42 CYS HA H 1 4.575 0.05 . 1 . . . A 42 CYS HA . 19027 1
401 . 1 1 42 42 CYS HB2 H 1 2.909 0.05 . 1 . . . A 42 CYS HB2 . 19027 1
402 . 1 1 42 42 CYS HB3 H 1 2.753 0.05 . 1 . . . A 42 CYS HB3 . 19027 1
403 . 1 1 42 42 CYS C C 13 176.608 0.10 . 1 . . . A 42 CYS C . 19027 1
404 . 1 1 42 42 CYS CA C 13 60.702 0.10 . 1 . . . A 42 CYS CA . 19027 1
405 . 1 1 42 42 CYS CB C 13 32.325 0.10 . 1 . . . A 42 CYS CB . 19027 1
406 . 1 1 42 42 CYS N N 15 120.989 0.10 . 1 . . . A 42 CYS N . 19027 1
407 . 1 1 43 43 SER H H 1 7.259 0.05 . 1 . . . A 43 SER H . 19027 1
408 . 1 1 43 43 SER HA H 1 4.552 0.05 . 1 . . . A 43 SER HA . 19027 1
409 . 1 1 43 43 SER HB2 H 1 3.807 0.05 . 1 . . . A 43 SER HB2 . 19027 1
410 . 1 1 43 43 SER HB3 H 1 3.952 0.05 . 1 . . . A 43 SER HB3 . 19027 1
411 . 1 1 43 43 SER C C 13 174.781 0.10 . 1 . . . A 43 SER C . 19027 1
412 . 1 1 43 43 SER CA C 13 60.651 0.10 . 1 . . . A 43 SER CA . 19027 1
413 . 1 1 43 43 SER CB C 13 63.609 0.10 . 1 . . . A 43 SER CB . 19027 1
414 . 1 1 43 43 SER N N 15 114.015 0.10 . 1 . . . A 43 SER N . 19027 1
415 . 1 1 44 44 VAL H H 1 8.640 0.05 . 1 . . . A 44 VAL H . 19027 1
416 . 1 1 44 44 VAL HA H 1 4.391 0.05 . 1 . . . A 44 VAL HA . 19027 1
417 . 1 1 44 44 VAL HB H 1 2.364 0.05 . 1 . . . A 44 VAL HB . 19027 1
418 . 1 1 44 44 VAL HG21 H 1 0.839 0.05 . 1 . . . A 44 VAL HG21 . 19027 1
419 . 1 1 44 44 VAL HG22 H 1 0.839 0.05 . 1 . . . A 44 VAL HG22 . 19027 1
420 . 1 1 44 44 VAL HG23 H 1 0.839 0.05 . 1 . . . A 44 VAL HG23 . 19027 1
421 . 1 1 44 44 VAL C C 13 176.216 0.10 . 1 . . . A 44 VAL C . 19027 1
422 . 1 1 44 44 VAL CA C 13 63.184 0.10 . 1 . . . A 44 VAL CA . 19027 1
423 . 1 1 44 44 VAL CB C 13 33.595 0.10 . 1 . . . A 44 VAL CB . 19027 1
424 . 1 1 44 44 VAL CG2 C 13 21.707 0.10 . 1 . . . A 44 VAL CG2 . 19027 1
425 . 1 1 44 44 VAL N N 15 113.888 0.10 . 1 . . . A 44 VAL N . 19027 1
426 . 1 1 45 45 ARG H H 1 6.674 0.05 . 1 . . . A 45 ARG H . 19027 1
427 . 1 1 45 45 ARG HA H 1 4.726 0.05 . 1 . . . A 45 ARG HA . 19027 1
428 . 1 1 45 45 ARG HB2 H 1 2.073 0.05 . 1 . . . A 45 ARG HB2 . 19027 1
429 . 1 1 45 45 ARG HB3 H 1 1.678 0.05 . 1 . . . A 45 ARG HB3 . 19027 1
430 . 1 1 45 45 ARG HG3 H 1 1.405 0.05 . 1 . . . A 45 ARG HG3 . 19027 1
431 . 1 1 45 45 ARG HD2 H 1 3.426 0.05 . 1 . . . A 45 ARG HD2 . 19027 1
432 . 1 1 45 45 ARG HD3 H 1 3.039 0.05 . 1 . . . A 45 ARG HD3 . 19027 1
433 . 1 1 45 45 ARG C C 13 174.378 0.10 . 1 . . . A 45 ARG C . 19027 1
434 . 1 1 45 45 ARG CA C 13 54.492 0.10 . 1 . . . A 45 ARG CA . 19027 1
435 . 1 1 45 45 ARG CB C 13 34.247 0.10 . 1 . . . A 45 ARG CB . 19027 1
436 . 1 1 45 45 ARG CG C 13 27.889 0.10 . 1 . . . A 45 ARG CG . 19027 1
437 . 1 1 45 45 ARG CD C 13 44.092 0.10 . 1 . . . A 45 ARG CD . 19027 1
438 . 1 1 45 45 ARG N N 15 119.350 0.10 . 1 . . . A 45 ARG N . 19027 1
439 . 1 1 46 46 GLU H H 1 9.287 0.05 . 1 . . . A 46 GLU H . 19027 1
440 . 1 1 46 46 GLU HA H 1 4.795 0.05 . 1 . . . A 46 GLU HA . 19027 1
441 . 1 1 46 46 GLU HB2 H 1 1.881 0.05 . 1 . . . A 46 GLU HB2 . 19027 1
442 . 1 1 46 46 GLU HB3 H 1 2.239 0.05 . 1 . . . A 46 GLU HB3 . 19027 1
443 . 1 1 46 46 GLU C C 13 176.797 0.10 . 1 . . . A 46 GLU C . 19027 1
444 . 1 1 46 46 GLU CA C 13 55.819 0.10 . 1 . . . A 46 GLU CA . 19027 1
445 . 1 1 46 46 GLU CB C 13 33.988 0.10 . 1 . . . A 46 GLU CB . 19027 1
446 . 1 1 46 46 GLU CG C 13 37.707 0.10 . 1 . . . A 46 GLU CG . 19027 1
447 . 1 1 46 46 GLU N N 15 122.707 0.10 . 1 . . . A 46 GLU N . 19027 1
448 . 1 1 47 47 LYS H H 1 8.229 0.05 . 1 . . . A 47 LYS H . 19027 1
449 . 1 1 47 47 LYS HA H 1 3.633 0.05 . 1 . . . A 47 LYS HA . 19027 1
450 . 1 1 47 47 LYS HB2 H 1 1.642 0.05 . 1 . . . A 47 LYS HB2 . 19027 1
451 . 1 1 47 47 LYS HB3 H 1 1.800 0.05 . 1 . . . A 47 LYS HB3 . 19027 1
452 . 1 1 47 47 LYS HG2 H 1 0.677 0.05 . 1 . . . A 47 LYS HG2 . 19027 1
453 . 1 1 47 47 LYS HG3 H 1 0.924 0.05 . 1 . . . A 47 LYS HG3 . 19027 1
454 . 1 1 47 47 LYS C C 13 179.071 0.10 . 1 . . . A 47 LYS C . 19027 1
455 . 1 1 47 47 LYS CA C 13 61.748 0.10 . 1 . . . A 47 LYS CA . 19027 1
456 . 1 1 47 47 LYS CB C 13 35.084 0.10 . 1 . . . A 47 LYS CB . 19027 1
457 . 1 1 47 47 LYS CG C 13 25.859 0.10 . 1 . . . A 47 LYS CG . 19027 1
458 . 1 1 47 47 LYS CD C 13 30.577 0.10 . 1 . . . A 47 LYS CD . 19027 1
459 . 1 1 47 47 LYS CE C 13 42.071 0.10 . 1 . . . A 47 LYS CE . 19027 1
460 . 1 1 47 47 LYS N N 15 121.213 0.10 . 1 . . . A 47 LYS N . 19027 1
461 . 1 1 48 48 VAL H H 1 7.813 0.05 . 1 . . . A 48 VAL H . 19027 1
462 . 1 1 48 48 VAL HA H 1 4.088 0.05 . 1 . . . A 48 VAL HA . 19027 1
463 . 1 1 48 48 VAL HB H 1 2.273 0.05 . 1 . . . A 48 VAL HB . 19027 1
464 . 1 1 48 48 VAL HG11 H 1 0.942 0.05 . 1 . . . A 48 VAL HG11 . 19027 1
465 . 1 1 48 48 VAL HG12 H 1 0.942 0.05 . 1 . . . A 48 VAL HG12 . 19027 1
466 . 1 1 48 48 VAL HG13 H 1 0.942 0.05 . 1 . . . A 48 VAL HG13 . 19027 1
467 . 1 1 48 48 VAL C C 13 175.267 0.10 . 1 . . . A 48 VAL C . 19027 1
468 . 1 1 48 48 VAL CA C 13 65.023 0.10 . 1 . . . A 48 VAL CA . 19027 1
469 . 1 1 48 48 VAL CB C 13 32.425 0.10 . 1 . . . A 48 VAL CB . 19027 1
470 . 1 1 48 48 VAL CG1 C 13 21.238 0.10 . 1 . . . A 48 VAL CG1 . 19027 1
471 . 1 1 48 48 VAL N N 15 112.335 0.10 . 1 . . . A 48 VAL N . 19027 1
472 . 1 1 49 49 ASP H H 1 8.360 0.05 . 1 . . . A 49 ASP H . 19027 1
473 . 1 1 49 49 ASP HA H 1 4.879 0.05 . 1 . . . A 49 ASP HA . 19027 1
474 . 1 1 49 49 ASP HB3 H 1 2.909 0.05 . 1 . . . A 49 ASP HB3 . 19027 1
475 . 1 1 49 49 ASP C C 13 177.232 0.10 . 1 . . . A 49 ASP C . 19027 1
476 . 1 1 49 49 ASP CA C 13 55.900 0.10 . 1 . . . A 49 ASP CA . 19027 1
477 . 1 1 49 49 ASP CB C 13 44.292 0.10 . 1 . . . A 49 ASP CB . 19027 1
478 . 1 1 49 49 ASP N N 15 118.790 0.10 . 1 . . . A 49 ASP N . 19027 1
479 . 1 1 50 50 PHE H H 1 8.227 0.05 . 1 . . . A 50 PHE H . 19027 1
480 . 1 1 50 50 PHE HA H 1 4.528 0.05 . 1 . . . A 50 PHE HA . 19027 1
481 . 1 1 50 50 PHE HB2 H 1 4.029 0.05 . 1 . . . A 50 PHE HB2 . 19027 1
482 . 1 1 50 50 PHE HB3 H 1 2.839 0.05 . 1 . . . A 50 PHE HB3 . 19027 1
483 . 1 1 50 50 PHE HD1 H 1 7.350 0.05 . 1 . . . A 50 PHE HD1 . 19027 1
484 . 1 1 50 50 PHE HD2 H 1 7.350 0.05 . 1 . . . A 50 PHE HD2 . 19027 1
485 . 1 1 50 50 PHE HE1 H 1 7.140 0.05 . 1 . . . A 50 PHE HE1 . 19027 1
486 . 1 1 50 50 PHE HE2 H 1 7.140 0.05 . 1 . . . A 50 PHE HE2 . 19027 1
487 . 1 1 50 50 PHE C C 13 176.351 0.10 . 1 . . . A 50 PHE C . 19027 1
488 . 1 1 50 50 PHE CA C 13 60.576 0.10 . 1 . . . A 50 PHE CA . 19027 1
489 . 1 1 50 50 PHE CB C 13 41.373 0.10 . 1 . . . A 50 PHE CB . 19027 1
490 . 1 1 50 50 PHE N N 15 121.477 0.10 . 1 . . . A 50 PHE N . 19027 1
491 . 1 1 51 51 GLU H H 1 9.170 0.05 . 1 . . . A 51 GLU H . 19027 1
492 . 1 1 51 51 GLU HA H 1 4.583 0.05 . 1 . . . A 51 GLU HA . 19027 1
493 . 1 1 51 51 GLU HB2 H 1 1.852 0.05 . 1 . . . A 51 GLU HB2 . 19027 1
494 . 1 1 51 51 GLU HB3 H 1 1.922 0.05 . 1 . . . A 51 GLU HB3 . 19027 1
495 . 1 1 51 51 GLU HG2 H 1 2.125 0.05 . 1 . . . A 51 GLU HG2 . 19027 1
496 . 1 1 51 51 GLU HG3 H 1 2.218 0.05 . 1 . . . A 51 GLU HG3 . 19027 1
497 . 1 1 51 51 GLU C C 13 175.785 0.10 . 1 . . . A 51 GLU C . 19027 1
498 . 1 1 51 51 GLU CA C 13 55.664 0.10 . 1 . . . A 51 GLU CA . 19027 1
499 . 1 1 51 51 GLU CB C 13 33.082 0.10 . 1 . . . A 51 GLU CB . 19027 1
500 . 1 1 51 51 GLU CG C 13 36.970 0.10 . 1 . . . A 51 GLU CG . 19027 1
501 . 1 1 51 51 GLU N N 15 120.869 0.10 . 1 . . . A 51 GLU N . 19027 1
502 . 1 1 52 52 ARG H H 1 8.810 0.05 . 1 . . . A 52 ARG H . 19027 1
503 . 1 1 52 52 ARG HA H 1 3.657 0.05 . 1 . . . A 52 ARG HA . 19027 1
504 . 1 1 52 52 ARG HB2 H 1 1.460 0.05 . 1 . . . A 52 ARG HB2 . 19027 1
505 . 1 1 52 52 ARG HB3 H 1 1.569 0.05 . 1 . . . A 52 ARG HB3 . 19027 1
506 . 1 1 52 52 ARG HG2 H 1 1.199 0.05 . 1 . . . A 52 ARG HG2 . 19027 1
507 . 1 1 52 52 ARG HG3 H 1 0.864 0.05 . 1 . . . A 52 ARG HG3 . 19027 1
508 . 1 1 52 52 ARG HD3 H 1 2.976 0.05 . 1 . . . A 52 ARG HD3 . 19027 1
509 . 1 1 52 52 ARG C C 13 176.531 0.10 . 1 . . . A 52 ARG C . 19027 1
510 . 1 1 52 52 ARG CA C 13 57.361 0.10 . 1 . . . A 52 ARG CA . 19027 1
511 . 1 1 52 52 ARG CB C 13 31.394 0.10 . 1 . . . A 52 ARG CB . 19027 1
512 . 1 1 52 52 ARG CG C 13 27.950 0.10 . 1 . . . A 52 ARG CG . 19027 1
513 . 1 1 52 52 ARG CD C 13 44.376 0.10 . 1 . . . A 52 ARG CD . 19027 1
514 . 1 1 52 52 ARG N N 15 126.629 0.10 . 1 . . . A 52 ARG N . 19027 1
515 . 1 1 53 53 MET H H 1 8.561 0.05 . 1 . . . A 53 MET H . 19027 1
516 . 1 1 53 53 MET HA H 1 4.358 0.05 . 1 . . . A 53 MET HA . 19027 1
517 . 1 1 53 53 MET HB2 H 1 1.894 0.05 . 1 . . . A 53 MET HB2 . 19027 1
518 . 1 1 53 53 MET HB3 H 1 1.672 0.05 . 1 . . . A 53 MET HB3 . 19027 1
519 . 1 1 53 53 MET HG3 H 1 2.192 0.05 . 1 . . . A 53 MET HG3 . 19027 1
520 . 1 1 53 53 MET C C 13 176.545 0.10 . 1 . . . A 53 MET C . 19027 1
521 . 1 1 53 53 MET CA C 13 56.209 0.10 . 1 . . . A 53 MET CA . 19027 1
522 . 1 1 53 53 MET CB C 13 33.611 0.10 . 1 . . . A 53 MET CB . 19027 1
523 . 1 1 53 53 MET CG C 13 32.610 0.10 . 1 . . . A 53 MET CG . 19027 1
524 . 1 1 53 53 MET N N 15 127.146 0.10 . 1 . . . A 53 MET N . 19027 1
525 . 1 1 54 54 GLY H H 1 8.286 0.05 . 1 . . . A 54 GLY H . 19027 1
526 . 1 1 54 54 GLY HA3 H 1 3.869 0.05 . 1 . . . A 54 GLY HA3 . 19027 1
527 . 1 1 54 54 GLY C C 13 174.379 0.10 . 1 . . . A 54 GLY C . 19027 1
528 . 1 1 54 54 GLY CA C 13 46.320 0.10 . 1 . . . A 54 GLY CA . 19027 1
529 . 1 1 54 54 GLY N N 15 109.727 0.10 . 1 . . . A 54 GLY N . 19027 1
530 . 1 1 55 55 GLY H H 1 8.242 0.05 . 1 . . . A 55 GLY H . 19027 1
531 . 1 1 55 55 GLY HA3 H 1 3.846 0.05 . 1 . . . A 55 GLY HA3 . 19027 1
532 . 1 1 55 55 GLY C C 13 173.142 0.10 . 1 . . . A 55 GLY C . 19027 1
533 . 1 1 55 55 GLY CA C 13 46.222 0.10 . 1 . . . A 55 GLY CA . 19027 1
534 . 1 1 55 55 GLY N N 15 109.085 0.10 . 1 . . . A 55 GLY N . 19027 1
535 . 1 1 56 56 LYS H H 1 7.867 0.05 . 1 . . . A 56 LYS H . 19027 1
536 . 1 1 56 56 LYS HA H 1 4.083 0.05 . 1 . . . A 56 LYS HA . 19027 1
537 . 1 1 56 56 LYS HE3 H 1 2.874 0.05 . 1 . . . A 56 LYS HE3 . 19027 1
538 . 1 1 56 56 LYS CA C 13 58.761 0.10 . 1 . . . A 56 LYS CA . 19027 1
539 . 1 1 56 56 LYS CB C 13 34.759 0.10 . 1 . . . A 56 LYS CB . 19027 1
540 . 1 1 56 56 LYS CG C 13 25.775 0.10 . 1 . . . A 56 LYS CG . 19027 1
541 . 1 1 56 56 LYS CD C 13 30.092 0.10 . 1 . . . A 56 LYS CD . 19027 1
542 . 1 1 56 56 LYS CE C 13 41.833 0.10 . 1 . . . A 56 LYS CE . 19027 1
543 . 1 1 56 56 LYS N N 15 125.672 0.10 . 1 . . . A 56 LYS N . 19027 1
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