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 25789
_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 $dss
_Assigned_chem_shift_list.Chem_shift_1H_err 0.04
_Assigned_chem_shift_list.Chem_shift_13C_err 0.5
_Assigned_chem_shift_list.Chem_shift_15N_err 0.5
_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-1H TOCSY' . . . 25789 1
2 '2D 1H-1H NOESY' . . . 25789 1
3 '2D 1H-15N HSQC' . . . 25789 1
4 '2D 1H-15N HSQC' . . . 25789 1
5 '2D 1H-13C HSQC' . . . 25789 1
6 '3D CBCA(CO)NH' . . . 25789 1
7 '3D 1H-15N NOESY' . . . 25789 1
8 '3D 1H-15N TOCSY' . . . 25789 1
9 '3D HNCO' . . . 25789 1
11 '3D HBHA(CO)NH' . . . 25789 1
12 '3D HCCH-TOCSY' . . . 25789 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
2 $SPARKY . . 25789 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 ALA HA H 1 4.133 0.04 . 1 . . . . 1 ALA HA . 25789 1
2 . 1 1 1 1 ALA HB1 H 1 1.579 0.04 . 1 . . . . 1 ALA HB1 . 25789 1
3 . 1 1 1 1 ALA HB2 H 1 1.579 0.04 . 1 . . . . 1 ALA HB2 . 25789 1
4 . 1 1 1 1 ALA HB3 H 1 1.579 0.04 . 1 . . . . 1 ALA HB3 . 25789 1
5 . 1 1 1 1 ALA CA C 13 51.927 0.5 . 1 . . . . 1 ALA CA . 25789 1
6 . 1 1 1 1 ALA CB C 13 19.432 0.5 . 1 . . . . 1 ALA CB . 25789 1
7 . 1 1 2 2 GLU H H 1 8.777 0.04 . 1 . . . . 2 GLU H . 25789 1
8 . 1 1 2 2 GLU HA H 1 4.778 0.04 . 1 . . . . 2 GLU HA . 25789 1
9 . 1 1 2 2 GLU CA C 13 56.919 0.5 . 1 . . . . 2 GLU CA . 25789 1
10 . 1 1 2 2 GLU CB C 13 30.334 0.5 . 1 . . . . 2 GLU CB . 25789 1
11 . 1 1 2 2 GLU N N 15 120.587 0.5 . 1 . . . . 2 GLU N . 25789 1
12 . 1 1 3 3 ASP H H 1 8.491 0.04 . 1 . . . . 3 ASP H . 25789 1
13 . 1 1 3 3 ASP HA H 1 4.543 0.04 . 1 . . . . 3 ASP HA . 25789 1
14 . 1 1 3 3 ASP HB2 H 1 3.511 0.04 . 2 . . . . 3 ASP HB2 . 25789 1
15 . 1 1 3 3 ASP HB3 H 1 2.635 0.04 . 2 . . . . 3 ASP HB3 . 25789 1
16 . 1 1 3 3 ASP N N 15 121.555 0.5 . 1 . . . . 3 ASP N . 25789 1
17 . 1 1 4 4 CYS H H 1 8.347 0.04 . 1 . . . . 4 CYS H . 25789 1
18 . 1 1 4 4 CYS HA H 1 4.587 0.04 . 1 . . . . 4 CYS HA . 25789 1
19 . 1 1 4 4 CYS HB2 H 1 3.001 0.04 . 1 . . . . 4 CYS HB2 . 25789 1
20 . 1 1 4 4 CYS C C 13 173.506 0.5 . 1 . . . . 4 CYS C . 25789 1
21 . 1 1 4 4 CYS CA C 13 57.905 0.5 . 1 . . . . 4 CYS CA . 25789 1
22 . 1 1 4 4 CYS CB C 13 38.220 0.5 . 1 . . . . 4 CYS CB . 25789 1
23 . 1 1 4 4 CYS N N 15 122.792 0.5 . 1 . . . . 4 CYS N . 25789 1
24 . 1 1 5 5 VAL H H 1 8.597 0.04 . 1 . . . . 5 VAL H . 25789 1
25 . 1 1 5 5 VAL HA H 1 4.591 0.04 . 1 . . . . 5 VAL HA . 25789 1
26 . 1 1 5 5 VAL HB H 1 1.989 0.04 . 1 . . . . 5 VAL HB . 25789 1
27 . 1 1 5 5 VAL HG11 H 1 0.965 0.04 . 1 . . . . 5 VAL HG11 . 25789 1
28 . 1 1 5 5 VAL HG12 H 1 0.965 0.04 . 1 . . . . 5 VAL HG12 . 25789 1
29 . 1 1 5 5 VAL HG13 H 1 0.965 0.04 . 1 . . . . 5 VAL HG13 . 25789 1
30 . 1 1 5 5 VAL C C 13 175.872 0.5 . 1 . . . . 5 VAL C . 25789 1
31 . 1 1 5 5 VAL CA C 13 61.756 0.5 . 1 . . . . 5 VAL CA . 25789 1
32 . 1 1 5 5 VAL CB C 13 34.641 0.5 . 1 . . . . 5 VAL CB . 25789 1
33 . 1 1 5 5 VAL CG1 C 13 20.898 0.5 . 1 . . . . 5 VAL CG1 . 25789 1
34 . 1 1 5 5 VAL N N 15 130.233 0.5 . 1 . . . . 5 VAL N . 25789 1
35 . 1 1 6 6 GLY H H 1 8.836 0.04 . 1 . . . . 6 GLY H . 25789 1
36 . 1 1 6 6 GLY HA2 H 1 3.047 0.04 . 2 . . . . 6 GLY HA2 . 25789 1
37 . 1 1 6 6 GLY HA3 H 1 3.991 0.04 . 2 . . . . 6 GLY HA3 . 25789 1
38 . 1 1 6 6 GLY C C 13 173.454 0.5 . 1 . . . . 6 GLY C . 25789 1
39 . 1 1 6 6 GLY CA C 13 45.527 0.5 . 1 . . . . 6 GLY CA . 25789 1
40 . 1 1 6 6 GLY N N 15 115.595 0.5 . 1 . . . . 6 GLY N . 25789 1
41 . 1 1 7 7 ARG H H 1 8.760 0.04 . 1 . . . . 7 ARG H . 25789 1
42 . 1 1 7 7 ARG HA H 1 4.637 0.04 . 1 . . . . 7 ARG HA . 25789 1
43 . 1 1 7 7 ARG HB2 H 1 1.756 0.04 . 2 . . . . 7 ARG HB2 . 25789 1
44 . 1 1 7 7 ARG HB3 H 1 1.806 0.04 . 2 . . . . 7 ARG HB3 . 25789 1
45 . 1 1 7 7 ARG HG2 H 1 1.554 0.04 . 2 . . . . 7 ARG HG2 . 25789 1
46 . 1 1 7 7 ARG HG3 H 1 1.645 0.04 . 2 . . . . 7 ARG HG3 . 25789 1
47 . 1 1 7 7 ARG HD2 H 1 3.201 0.04 . 1 . . . . 7 ARG HD2 . 25789 1
48 . 1 1 7 7 ARG HE H 1 7.197 0.04 . 1 . . . . 7 ARG HE . 25789 1
49 . 1 1 7 7 ARG C C 13 175.190 0.5 . 1 . . . . 7 ARG C . 25789 1
50 . 1 1 7 7 ARG CA C 13 55.528 0.5 . 1 . . . . 7 ARG CA . 25789 1
51 . 1 1 7 7 ARG CB C 13 32.434 0.5 . 1 . . . . 7 ARG CB . 25789 1
52 . 1 1 7 7 ARG N N 15 124.372 0.5 . 1 . . . . 7 ARG N . 25789 1
53 . 1 1 7 7 ARG NE N 15 85.485 0.5 . 1 . . . . 7 ARG NE . 25789 1
54 . 1 1 8 8 LYS H H 1 8.497 0.04 . 1 . . . . 8 LYS H . 25789 1
55 . 1 1 8 8 LYS HA H 1 4.435 0.04 . 1 . . . . 8 LYS HA . 25789 1
56 . 1 1 8 8 LYS HB2 H 1 1.597 0.04 . 1 . . . . 8 LYS HB2 . 25789 1
57 . 1 1 8 8 LYS HG2 H 1 1.337 0.04 . 1 . . . . 8 LYS HG2 . 25789 1
58 . 1 1 8 8 LYS HD2 H 1 1.732 0.04 . 1 . . . . 8 LYS HD2 . 25789 1
59 . 1 1 8 8 LYS HE2 H 1 2.914 0.04 . 1 . . . . 8 LYS HE2 . 25789 1
60 . 1 1 8 8 LYS C C 13 174.455 0.5 . 1 . . . . 8 LYS C . 25789 1
61 . 1 1 8 8 LYS CA C 13 55.630 0.5 . 1 . . . . 8 LYS CA . 25789 1
62 . 1 1 8 8 LYS CB C 13 36.088 0.5 . 1 . . . . 8 LYS CB . 25789 1
63 . 1 1 8 8 LYS N N 15 126.364 0.5 . 1 . . . . 8 LYS N . 25789 1
64 . 1 1 9 9 ALA H H 1 8.339 0.04 . 1 . . . . 9 ALA H . 25789 1
65 . 1 1 9 9 ALA HA H 1 4.462 0.04 . 1 . . . . 9 ALA HA . 25789 1
66 . 1 1 9 9 ALA HB1 H 1 1.327 0.04 . 1 . . . . 9 ALA HB1 . 25789 1
67 . 1 1 9 9 ALA HB2 H 1 1.327 0.04 . 1 . . . . 9 ALA HB2 . 25789 1
68 . 1 1 9 9 ALA HB3 H 1 1.327 0.04 . 1 . . . . 9 ALA HB3 . 25789 1
69 . 1 1 9 9 ALA C C 13 176.690 0.5 . 1 . . . . 9 ALA C . 25789 1
70 . 1 1 9 9 ALA CA C 13 52.255 0.5 . 1 . . . . 9 ALA CA . 25789 1
71 . 1 1 9 9 ALA CB C 13 17.072 0.5 . 1 . . . . 9 ALA CB . 25789 1
72 . 1 1 9 9 ALA N N 15 126.059 0.5 . 1 . . . . 9 ALA N . 25789 1
73 . 1 1 10 10 CYS H H 1 8.103 0.04 . 1 . . . . 10 CYS H . 25789 1
74 . 1 1 10 10 CYS HA H 1 5.070 0.04 . 1 . . . . 10 CYS HA . 25789 1
75 . 1 1 10 10 CYS HB2 H 1 2.807 0.04 . 2 . . . . 10 CYS HB2 . 25789 1
76 . 1 1 10 10 CYS HB3 H 1 3.334 0.04 . 2 . . . . 10 CYS HB3 . 25789 1
77 . 1 1 10 10 CYS C C 13 175.913 0.5 . 1 . . . . 10 CYS C . 25789 1
78 . 1 1 10 10 CYS CA C 13 52.909 0.5 . 1 . . . . 10 CYS CA . 25789 1
79 . 1 1 10 10 CYS CB C 13 41.080 0.5 . 1 . . . . 10 CYS CB . 25789 1
80 . 1 1 10 10 CYS N N 15 123.013 0.5 . 1 . . . . 10 CYS N . 25789 1
81 . 1 1 11 11 THR H H 1 8.272 0.04 . 1 . . . . 11 THR H . 25789 1
82 . 1 1 11 11 THR HA H 1 4.510 0.04 . 1 . . . . 11 THR HA . 25789 1
83 . 1 1 11 11 THR HB H 1 4.583 0.04 . 1 . . . . 11 THR HB . 25789 1
84 . 1 1 11 11 THR HG21 H 1 1.332 0.04 . 1 . . . . 11 THR HG21 . 25789 1
85 . 1 1 11 11 THR HG22 H 1 1.332 0.04 . 1 . . . . 11 THR HG22 . 25789 1
86 . 1 1 11 11 THR HG23 H 1 1.332 0.04 . 1 . . . . 11 THR HG23 . 25789 1
87 . 1 1 11 11 THR C C 13 174.887 0.5 . 1 . . . . 11 THR C . 25789 1
88 . 1 1 11 11 THR CA C 13 61.918 0.5 . 1 . . . . 11 THR CA . 25789 1
89 . 1 1 11 11 THR CB C 13 69.543 0.5 . 1 . . . . 11 THR CB . 25789 1
90 . 1 1 11 11 THR CG2 C 13 21.660 0.5 . 1 . . . . 11 THR CG2 . 25789 1
91 . 1 1 11 11 THR N N 15 113.789 0.5 . 1 . . . . 11 THR N . 25789 1
92 . 1 1 12 12 ARG H H 1 8.585 0.04 . 1 . . . . 12 ARG H . 25789 1
93 . 1 1 12 12 ARG HA H 1 4.451 0.04 . 1 . . . . 12 ARG HA . 25789 1
94 . 1 1 12 12 ARG HB2 H 1 1.831 0.04 . 1 . . . . 12 ARG HB2 . 25789 1
95 . 1 1 12 12 ARG HG2 H 1 1.698 0.04 . 1 . . . . 12 ARG HG2 . 25789 1
96 . 1 1 12 12 ARG HD2 H 1 3.257 0.04 . 1 . . . . 12 ARG HD2 . 25789 1
97 . 1 1 12 12 ARG HE H 1 7.273 0.04 . 1 . . . . 12 ARG HE . 25789 1
98 . 1 1 12 12 ARG C C 13 176.188 0.5 . 1 . . . . 12 ARG C . 25789 1
99 . 1 1 12 12 ARG CA C 13 55.853 0.5 . 1 . . . . 12 ARG CA . 25789 1
100 . 1 1 12 12 ARG CB C 13 29.473 0.5 . 1 . . . . 12 ARG CB . 25789 1
101 . 1 1 12 12 ARG N N 15 120.274 0.5 . 1 . . . . 12 ARG N . 25789 1
102 . 1 1 12 12 ARG NE N 15 84.987 0.5 . 1 . . . . 12 ARG NE . 25789 1
103 . 1 1 13 13 GLU H H 1 8.069 0.04 . 1 . . . . 13 GLU H . 25789 1
104 . 1 1 13 13 GLU HA H 1 4.206 0.04 . 1 . . . . 13 GLU HA . 25789 1
105 . 1 1 13 13 GLU HB2 H 1 2.008 0.04 . 1 . . . . 13 GLU HB2 . 25789 1
106 . 1 1 13 13 GLU HG2 H 1 2.276 0.04 . 1 . . . . 13 GLU HG2 . 25789 1
107 . 1 1 13 13 GLU C C 13 175.542 0.5 . 1 . . . . 13 GLU C . 25789 1
108 . 1 1 13 13 GLU CA C 13 57.303 0.5 . 1 . . . . 13 GLU CA . 25789 1
109 . 1 1 13 13 GLU CB C 13 30.201 0.5 . 1 . . . . 13 GLU CB . 25789 1
110 . 1 1 13 13 GLU N N 15 122.312 0.5 . 1 . . . . 13 GLU N . 25789 1
111 . 1 1 14 14 TRP H H 1 8.823 0.04 . 1 . . . . 14 TRP H . 25789 1
112 . 1 1 14 14 TRP HA H 1 5.125 0.04 . 1 . . . . 14 TRP HA . 25789 1
113 . 1 1 14 14 TRP HB2 H 1 3.197 0.04 . 2 . . . . 14 TRP HB2 . 25789 1
114 . 1 1 14 14 TRP HB3 H 1 3.391 0.04 . 2 . . . . 14 TRP HB3 . 25789 1
115 . 1 1 14 14 TRP HD1 H 1 7.233 0.04 . 1 . . . . 14 TRP HD1 . 25789 1
116 . 1 1 14 14 TRP HE1 H 1 10.309 0.04 . 1 . . . . 14 TRP HE1 . 25789 1
117 . 1 1 14 14 TRP HE3 H 1 7.773 0.04 . 1 . . . . 14 TRP HE3 . 25789 1
118 . 1 1 14 14 TRP HZ2 H 1 7.451 0.04 . 1 . . . . 14 TRP HZ2 . 25789 1
119 . 1 1 14 14 TRP HZ3 H 1 7.059 0.04 . 1 . . . . 14 TRP HZ3 . 25789 1
120 . 1 1 14 14 TRP HH2 H 1 7.154 0.04 . 1 . . . . 14 TRP HH2 . 25789 1
121 . 1 1 14 14 TRP C C 13 174.853 0.5 . 1 . . . . 14 TRP C . 25789 1
122 . 1 1 14 14 TRP CA C 13 56.388 0.5 . 1 . . . . 14 TRP CA . 25789 1
123 . 1 1 14 14 TRP CB C 13 29.804 0.5 . 1 . . . . 14 TRP CB . 25789 1
124 . 1 1 14 14 TRP CD1 C 13 128.274 0.5 . 1 . . . . 14 TRP CD1 . 25789 1
125 . 1 1 14 14 TRP CE3 C 13 121.766 0.5 . 1 . . . . 14 TRP CE3 . 25789 1
126 . 1 1 14 14 TRP CZ2 C 13 114.477 0.5 . 1 . . . . 14 TRP CZ2 . 25789 1
127 . 1 1 14 14 TRP CZ3 C 13 121.819 0.5 . 1 . . . . 14 TRP CZ3 . 25789 1
128 . 1 1 14 14 TRP CH2 C 13 124.677 0.5 . 1 . . . . 14 TRP CH2 . 25789 1
129 . 1 1 14 14 TRP N N 15 126.929 0.5 . 1 . . . . 14 TRP N . 25789 1
130 . 1 1 14 14 TRP NE1 N 15 129.929 0.5 . 1 . . . . 14 TRP NE1 . 25789 1
131 . 1 1 15 15 TYR H H 1 8.949 0.04 . 1 . . . . 15 TYR H . 25789 1
132 . 1 1 15 15 TYR HA H 1 4.522 0.04 . 1 . . . . 15 TYR HA . 25789 1
133 . 1 1 15 15 TYR HB2 H 1 2.819 0.04 . 2 . . . . 15 TYR HB2 . 25789 1
134 . 1 1 15 15 TYR HB3 H 1 2.970 0.04 . 2 . . . . 15 TYR HB3 . 25789 1
135 . 1 1 15 15 TYR HD1 H 1 7.092 0.04 . 3 . . . . 15 TYR HD1 . 25789 1
136 . 1 1 15 15 TYR HE1 H 1 6.782 0.04 . 3 . . . . 15 TYR HE1 . 25789 1
137 . 1 1 15 15 TYR CB C 13 38.301 0.5 . 1 . . . . 15 TYR CB . 25789 1
138 . 1 1 15 15 TYR CD1 C 13 133.137 0.5 . 3 . . . . 15 TYR CD1 . 25789 1
139 . 1 1 15 15 TYR CE1 C 13 118.104 0.5 . 3 . . . . 15 TYR CE1 . 25789 1
140 . 1 1 15 15 TYR N N 15 129.982 0.5 . 1 . . . . 15 TYR N . 25789 1
141 . 1 1 16 16 PRO HA H 1 4.094 0.04 . 1 . . . . 16 PRO HA . 25789 1
142 . 1 1 16 16 PRO HB2 H 1 0.755 0.04 . 2 . . . . 16 PRO HB2 . 25789 1
143 . 1 1 16 16 PRO HB3 H 1 0.977 0.04 . 2 . . . . 16 PRO HB3 . 25789 1
144 . 1 1 16 16 PRO HG2 H 1 1.400 0.04 . 1 . . . . 16 PRO HG2 . 25789 1
145 . 1 1 16 16 PRO HD2 H 1 1.107 0.04 . 2 . . . . 16 PRO HD2 . 25789 1
146 . 1 1 16 16 PRO HD3 H 1 3.044 0.04 . 2 . . . . 16 PRO HD3 . 25789 1
147 . 1 1 16 16 PRO C C 13 177.191 0.5 . 1 . . . . 16 PRO C . 25789 1
148 . 1 1 16 16 PRO CA C 13 62.523 0.5 . 1 . . . . 16 PRO CA . 25789 1
149 . 1 1 16 16 PRO CB C 13 32.836 0.5 . 1 . . . . 16 PRO CB . 25789 1
150 . 1 1 16 16 PRO CD C 13 48.467 0.5 . 1 . . . . 16 PRO CD . 25789 1
151 . 1 1 17 17 VAL H H 1 8.355 0.04 . 1 . . . . 17 VAL H . 25789 1
152 . 1 1 17 17 VAL HA H 1 4.184 0.04 . 1 . . . . 17 VAL HA . 25789 1
153 . 1 1 17 17 VAL HB H 1 1.783 0.04 . 1 . . . . 17 VAL HB . 25789 1
154 . 1 1 17 17 VAL HG11 H 1 0.631 0.04 . 2 . . . . 17 VAL HG11 . 25789 1
155 . 1 1 17 17 VAL HG12 H 1 0.631 0.04 . 2 . . . . 17 VAL HG12 . 25789 1
156 . 1 1 17 17 VAL HG13 H 1 0.631 0.04 . 2 . . . . 17 VAL HG13 . 25789 1
157 . 1 1 17 17 VAL HG21 H 1 0.594 0.04 . 2 . . . . 17 VAL HG21 . 25789 1
158 . 1 1 17 17 VAL HG22 H 1 0.594 0.04 . 2 . . . . 17 VAL HG22 . 25789 1
159 . 1 1 17 17 VAL HG23 H 1 0.594 0.04 . 2 . . . . 17 VAL HG23 . 25789 1
160 . 1 1 17 17 VAL C C 13 172.678 0.5 . 1 . . . . 17 VAL C . 25789 1
161 . 1 1 17 17 VAL CA C 13 60.249 0.5 . 1 . . . . 17 VAL CA . 25789 1
162 . 1 1 17 17 VAL CB C 13 36.086 0.5 . 1 . . . . 17 VAL CB . 25789 1
163 . 1 1 17 17 VAL CG1 C 13 22.709 0.5 . 2 . . . . 17 VAL CG1 . 25789 1
164 . 1 1 17 17 VAL CG2 C 13 20.036 0.5 . 2 . . . . 17 VAL CG2 . 25789 1
165 . 1 1 17 17 VAL N N 15 114.809 0.5 . 1 . . . . 17 VAL N . 25789 1
166 . 1 1 18 18 CYS H H 1 8.245 0.04 . 1 . . . . 18 CYS H . 25789 1
167 . 1 1 18 18 CYS HA H 1 5.217 0.04 . 1 . . . . 18 CYS HA . 25789 1
168 . 1 1 18 18 CYS HB2 H 1 1.394 0.04 . 2 . . . . 18 CYS HB2 . 25789 1
169 . 1 1 18 18 CYS HB3 H 1 2.357 0.04 . 2 . . . . 18 CYS HB3 . 25789 1
170 . 1 1 18 18 CYS C C 13 175.720 0.5 . 1 . . . . 18 CYS C . 25789 1
171 . 1 1 18 18 CYS CA C 13 53.874 0.5 . 1 . . . . 18 CYS CA . 25789 1
172 . 1 1 18 18 CYS CB C 13 38.042 0.5 . 1 . . . . 18 CYS CB . 25789 1
173 . 1 1 18 18 CYS N N 15 123.493 0.5 . 1 . . . . 18 CYS N . 25789 1
174 . 1 1 19 19 GLY H H 1 9.676 0.04 . 1 . . . . 19 GLY H . 25789 1
175 . 1 1 19 19 GLY HA2 H 1 4.726 0.04 . 1 . . . . 19 GLY HA2 . 25789 1
176 . 1 1 19 19 GLY C C 13 176.356 0.5 . 1 . . . . 19 GLY C . 25789 1
177 . 1 1 19 19 GLY CA C 13 45.350 0.5 . 1 . . . . 19 GLY CA . 25789 1
178 . 1 1 19 19 GLY N N 15 116.182 0.5 . 1 . . . . 19 GLY N . 25789 1
179 . 1 1 20 20 SER H H 1 9.783 0.04 . 1 . . . . 20 SER H . 25789 1
180 . 1 1 20 20 SER HA H 1 4.147 0.04 . 1 . . . . 20 SER HA . 25789 1
181 . 1 1 20 20 SER HB2 H 1 3.954 0.04 . 1 . . . . 20 SER HB2 . 25789 1
182 . 1 1 20 20 SER C C 13 173.922 0.5 . 1 . . . . 20 SER C . 25789 1
183 . 1 1 20 20 SER CA C 13 61.110 0.5 . 1 . . . . 20 SER CA . 25789 1
184 . 1 1 20 20 SER CB C 13 62.104 0.5 . 1 . . . . 20 SER CB . 25789 1
185 . 1 1 20 20 SER N N 15 119.167 0.5 . 1 . . . . 20 SER N . 25789 1
186 . 1 1 21 21 ASP H H 1 8.823 0.04 . 1 . . . . 21 ASP H . 25789 1
187 . 1 1 21 21 ASP HA H 1 4.512 0.04 . 1 . . . . 21 ASP HA . 25789 1
188 . 1 1 21 21 ASP HB2 H 1 2.709 0.04 . 2 . . . . 21 ASP HB2 . 25789 1
189 . 1 1 21 21 ASP HB3 H 1 3.051 0.04 . 2 . . . . 21 ASP HB3 . 25789 1
190 . 1 1 21 21 ASP C C 13 177.137 0.5 . 1 . . . . 21 ASP C . 25789 1
191 . 1 1 21 21 ASP CA C 13 53.514 0.5 . 1 . . . . 21 ASP CA . 25789 1
192 . 1 1 21 21 ASP CB C 13 39.784 0.5 . 1 . . . . 21 ASP CB . 25789 1
193 . 1 1 21 21 ASP N N 15 120.973 0.5 . 1 . . . . 21 ASP N . 25789 1
194 . 1 1 22 22 GLY H H 1 8.448 0.04 . 1 . . . . 22 GLY H . 25789 1
195 . 1 1 22 22 GLY HA2 H 1 3.731 0.04 . 2 . . . . 22 GLY HA2 . 25789 1
196 . 1 1 22 22 GLY HA3 H 1 4.114 0.04 . 2 . . . . 22 GLY HA3 . 25789 1
197 . 1 1 22 22 GLY C C 13 173.782 0.5 . 1 . . . . 22 GLY C . 25789 1
198 . 1 1 22 22 GLY CA C 13 45.916 0.5 . 1 . . . . 22 GLY CA . 25789 1
199 . 1 1 22 22 GLY N N 15 109.625 0.5 . 1 . . . . 22 GLY N . 25789 1
200 . 1 1 23 23 VAL H H 1 7.755 0.04 . 1 . . . . 23 VAL H . 25789 1
201 . 1 1 23 23 VAL HA H 1 3.850 0.04 . 1 . . . . 23 VAL HA . 25789 1
202 . 1 1 23 23 VAL HB H 1 2.225 0.04 . 1 . . . . 23 VAL HB . 25789 1
203 . 1 1 23 23 VAL HG11 H 1 0.711 0.04 . 2 . . . . 23 VAL HG11 . 25789 1
204 . 1 1 23 23 VAL HG12 H 1 0.711 0.04 . 2 . . . . 23 VAL HG12 . 25789 1
205 . 1 1 23 23 VAL HG13 H 1 0.711 0.04 . 2 . . . . 23 VAL HG13 . 25789 1
206 . 1 1 23 23 VAL HG21 H 1 0.168 0.04 . 2 . . . . 23 VAL HG21 . 25789 1
207 . 1 1 23 23 VAL HG22 H 1 0.168 0.04 . 2 . . . . 23 VAL HG22 . 25789 1
208 . 1 1 23 23 VAL HG23 H 1 0.168 0.04 . 2 . . . . 23 VAL HG23 . 25789 1
209 . 1 1 23 23 VAL CA C 13 61.747 0.5 . 1 . . . . 23 VAL CA . 25789 1
210 . 1 1 23 23 VAL CB C 13 33.045 0.5 . 1 . . . . 23 VAL CB . 25789 1
211 . 1 1 23 23 VAL CG1 C 13 22.077 0.5 . 2 . . . . 23 VAL CG1 . 25789 1
212 . 1 1 23 23 VAL CG2 C 13 20.095 0.5 . 2 . . . . 23 VAL CG2 . 25789 1
213 . 1 1 23 23 VAL N N 15 124.643 0.5 . 1 . . . . 23 VAL N . 25789 1
214 . 1 1 24 24 THR H H 1 8.204 0.04 . 1 . . . . 24 THR H . 25789 1
215 . 1 1 24 24 THR HA H 1 4.751 0.04 . 1 . . . . 24 THR HA . 25789 1
216 . 1 1 24 24 THR HB H 1 4.113 0.04 . 1 . . . . 24 THR HB . 25789 1
217 . 1 1 24 24 THR HG21 H 1 1.101 0.04 . 1 . . . . 24 THR HG21 . 25789 1
218 . 1 1 24 24 THR HG22 H 1 1.101 0.04 . 1 . . . . 24 THR HG22 . 25789 1
219 . 1 1 24 24 THR HG23 H 1 1.101 0.04 . 1 . . . . 24 THR HG23 . 25789 1
220 . 1 1 24 24 THR C C 13 174.674 0.5 . 1 . . . . 24 THR C . 25789 1
221 . 1 1 24 24 THR CA C 13 62.517 0.5 . 1 . . . . 24 THR CA . 25789 1
222 . 1 1 24 24 THR CB C 13 69.332 0.5 . 1 . . . . 24 THR CB . 25789 1
223 . 1 1 24 24 THR CG2 C 13 23.741 0.5 . 1 . . . . 24 THR CG2 . 25789 1
224 . 1 1 24 24 THR N N 15 124.128 0.5 . 1 . . . . 24 THR N . 25789 1
225 . 1 1 25 25 TYR H H 1 9.528 0.04 . 1 . . . . 25 TYR H . 25789 1
226 . 1 1 25 25 TYR HA H 1 4.580 0.04 . 1 . . . . 25 TYR HA . 25789 1
227 . 1 1 25 25 TYR HB2 H 1 2.820 0.04 . 2 . . . . 25 TYR HB2 . 25789 1
228 . 1 1 25 25 TYR HB3 H 1 2.868 0.04 . 2 . . . . 25 TYR HB3 . 25789 1
229 . 1 1 25 25 TYR HD2 H 1 7.057 0.04 . 3 . . . . 25 TYR HD2 . 25789 1
230 . 1 1 25 25 TYR HE2 H 1 6.780 0.04 . 3 . . . . 25 TYR HE2 . 25789 1
231 . 1 1 25 25 TYR C C 13 176.958 0.5 . 1 . . . . 25 TYR C . 25789 1
232 . 1 1 25 25 TYR CA C 13 58.112 0.5 . 1 . . . . 25 TYR CA . 25789 1
233 . 1 1 25 25 TYR CB C 13 40.957 0.5 . 1 . . . . 25 TYR CB . 25789 1
234 . 1 1 25 25 TYR CD2 C 13 133.123 0.5 . 3 . . . . 25 TYR CD2 . 25789 1
235 . 1 1 25 25 TYR CE2 C 13 117.603 0.5 . 3 . . . . 25 TYR CE2 . 25789 1
236 . 1 1 25 25 TYR N N 15 130.525 0.5 . 1 . . . . 25 TYR N . 25789 1
237 . 1 1 26 26 SER H H 1 9.300 0.04 . 1 . . . . 26 SER H . 25789 1
238 . 1 1 26 26 SER HA H 1 3.688 0.04 . 1 . . . . 26 SER HA . 25789 1
239 . 1 1 26 26 SER HB2 H 1 4.276 0.04 . 1 . . . . 26 SER HB2 . 25789 1
240 . 1 1 26 26 SER C C 13 172.371 0.5 . 1 . . . . 26 SER C . 25789 1
241 . 1 1 26 26 SER CA C 13 61.334 0.5 . 1 . . . . 26 SER CA . 25789 1
242 . 1 1 26 26 SER CB C 13 63.624 0.5 . 1 . . . . 26 SER CB . 25789 1
243 . 1 1 26 26 SER N N 15 118.275 0.5 . 1 . . . . 26 SER N . 25789 1
244 . 1 1 27 27 ASN H H 1 7.341 0.04 . 1 . . . . 27 ASN H . 25789 1
245 . 1 1 27 27 ASN HA H 1 5.456 0.04 . 1 . . . . 27 ASN HA . 25789 1
246 . 1 1 27 27 ASN HB2 H 1 3.160 0.04 . 2 . . . . 27 ASN HB2 . 25789 1
247 . 1 1 27 27 ASN HB3 H 1 3.566 0.04 . 2 . . . . 27 ASN HB3 . 25789 1
248 . 1 1 27 27 ASN HD21 H 1 6.301 0.04 . 2 . . . . 27 ASN HD21 . 25789 1
249 . 1 1 27 27 ASN HD22 H 1 8.111 0.04 . 2 . . . . 27 ASN HD22 . 25789 1
250 . 1 1 27 27 ASN CA C 13 51.882 0.5 . 1 . . . . 27 ASN CA . 25789 1
251 . 1 1 27 27 ASN CB C 13 36.669 0.5 . 1 . . . . 27 ASN CB . 25789 1
252 . 1 1 27 27 ASN N N 15 109.467 0.5 . 1 . . . . 27 ASN N . 25789 1
253 . 1 1 27 27 ASN ND2 N 15 115.323 0.5 . 1 . . . . 27 ASN ND2 . 25789 1
254 . 1 1 28 28 PRO HA H 1 4.225 0.04 . 1 . . . . 28 PRO HA . 25789 1
255 . 1 1 28 28 PRO HB2 H 1 2.519 0.04 . 1 . . . . 28 PRO HB2 . 25789 1
256 . 1 1 28 28 PRO HD2 H 1 3.987 0.04 . 1 . . . . 28 PRO HD2 . 25789 1
257 . 1 1 28 28 PRO C C 13 177.600 0.5 . 1 . . . . 28 PRO C . 25789 1
258 . 1 1 28 28 PRO CA C 13 65.794 0.5 . 1 . . . . 28 PRO CA . 25789 1
259 . 1 1 28 28 PRO CB C 13 32.317 0.5 . 1 . . . . 28 PRO CB . 25789 1
260 . 1 1 28 28 PRO CD C 13 51.201 0.5 . 1 . . . . 28 PRO CD . 25789 1
261 . 1 1 29 29 CYS H H 1 8.275 0.04 . 1 . . . . 29 CYS H . 25789 1
262 . 1 1 29 29 CYS HA H 1 4.371 0.04 . 1 . . . . 29 CYS HA . 25789 1
263 . 1 1 29 29 CYS HB2 H 1 3.068 0.04 . 2 . . . . 29 CYS HB2 . 25789 1
264 . 1 1 29 29 CYS HB3 H 1 3.398 0.04 . 2 . . . . 29 CYS HB3 . 25789 1
265 . 1 1 29 29 CYS C C 13 177.390 0.5 . 1 . . . . 29 CYS C . 25789 1
266 . 1 1 29 29 CYS CA C 13 60.240 0.5 . 1 . . . . 29 CYS CA . 25789 1
267 . 1 1 29 29 CYS CB C 13 36.524 0.5 . 1 . . . . 29 CYS CB . 25789 1
268 . 1 1 29 29 CYS N N 15 120.684 0.5 . 1 . . . . 29 CYS N . 25789 1
269 . 1 1 30 30 ASN H H 1 8.653 0.04 . 1 . . . . 30 ASN H . 25789 1
270 . 1 1 30 30 ASN HA H 1 4.515 0.04 . 1 . . . . 30 ASN HA . 25789 1
271 . 1 1 30 30 ASN HB2 H 1 2.805 0.04 . 2 . . . . 30 ASN HB2 . 25789 1
272 . 1 1 30 30 ASN HB3 H 1 3.057 0.04 . 2 . . . . 30 ASN HB3 . 25789 1
273 . 1 1 30 30 ASN HD21 H 1 7.227 0.04 . 2 . . . . 30 ASN HD21 . 25789 1
274 . 1 1 30 30 ASN HD22 H 1 7.466 0.04 . 2 . . . . 30 ASN HD22 . 25789 1
275 . 1 1 30 30 ASN C C 13 178.484 0.5 . 1 . . . . 30 ASN C . 25789 1
276 . 1 1 30 30 ASN CA C 13 57.010 0.5 . 1 . . . . 30 ASN CA . 25789 1
277 . 1 1 30 30 ASN CB C 13 39.559 0.5 . 1 . . . . 30 ASN CB . 25789 1
278 . 1 1 30 30 ASN N N 15 122.591 0.5 . 1 . . . . 30 ASN N . 25789 1
279 . 1 1 30 30 ASN ND2 N 15 114.137 0.5 . 1 . . . . 30 ASN ND2 . 25789 1
280 . 1 1 31 31 PHE H H 1 7.848 0.04 . 1 . . . . 31 PHE H . 25789 1
281 . 1 1 31 31 PHE HA H 1 3.222 0.04 . 1 . . . . 31 PHE HA . 25789 1
282 . 1 1 31 31 PHE HB2 H 1 2.576 0.04 . 2 . . . . 31 PHE HB2 . 25789 1
283 . 1 1 31 31 PHE HB3 H 1 3.004 0.04 . 2 . . . . 31 PHE HB3 . 25789 1
284 . 1 1 31 31 PHE HD1 H 1 6.739 0.04 . 3 . . . . 31 PHE HD1 . 25789 1
285 . 1 1 31 31 PHE HE1 H 1 6.905 0.04 . 3 . . . . 31 PHE HE1 . 25789 1
286 . 1 1 31 31 PHE HZ H 1 6.674 0.04 . 1 . . . . 31 PHE HZ . 25789 1
287 . 1 1 31 31 PHE C C 13 175.893 0.5 . 1 . . . . 31 PHE C . 25789 1
288 . 1 1 31 31 PHE CA C 13 61.887 0.5 . 1 . . . . 31 PHE CA . 25789 1
289 . 1 1 31 31 PHE CB C 13 38.828 0.5 . 1 . . . . 31 PHE CB . 25789 1
290 . 1 1 31 31 PHE CD1 C 13 130.870 0.5 . 3 . . . . 31 PHE CD1 . 25789 1
291 . 1 1 31 31 PHE CE1 C 13 131.358 0.5 . 3 . . . . 31 PHE CE1 . 25789 1
292 . 1 1 31 31 PHE CZ C 13 129.780 0.5 . 1 . . . . 31 PHE CZ . 25789 1
293 . 1 1 31 31 PHE N N 15 121.793 0.5 . 1 . . . . 31 PHE N . 25789 1
294 . 1 1 32 32 SER H H 1 8.661 0.04 . 1 . . . . 32 SER H . 25789 1
295 . 1 1 32 32 SER HA H 1 3.785 0.04 . 1 . . . . 32 SER HA . 25789 1
296 . 1 1 32 32 SER HB2 H 1 4.042 0.04 . 1 . . . . 32 SER HB2 . 25789 1
297 . 1 1 32 32 SER C C 13 175.874 0.5 . 1 . . . . 32 SER C . 25789 1
298 . 1 1 32 32 SER CA C 13 61.991 0.5 . 1 . . . . 32 SER CA . 25789 1
299 . 1 1 32 32 SER CB C 13 62.697 0.5 . 1 . . . . 32 SER CB . 25789 1
300 . 1 1 32 32 SER N N 15 116.875 0.5 . 1 . . . . 32 SER N . 25789 1
301 . 1 1 33 33 ALA H H 1 7.977 0.04 . 1 . . . . 33 ALA H . 25789 1
302 . 1 1 33 33 ALA HA H 1 3.877 0.04 . 1 . . . . 33 ALA HA . 25789 1
303 . 1 1 33 33 ALA HB1 H 1 1.323 0.04 . 1 . . . . 33 ALA HB1 . 25789 1
304 . 1 1 33 33 ALA HB2 H 1 1.323 0.04 . 1 . . . . 33 ALA HB2 . 25789 1
305 . 1 1 33 33 ALA HB3 H 1 1.323 0.04 . 1 . . . . 33 ALA HB3 . 25789 1
306 . 1 1 33 33 ALA C C 13 178.824 0.5 . 1 . . . . 33 ALA C . 25789 1
307 . 1 1 33 33 ALA CA C 13 55.115 0.5 . 1 . . . . 33 ALA CA . 25789 1
308 . 1 1 33 33 ALA CB C 13 18.889 0.5 . 1 . . . . 33 ALA CB . 25789 1
309 . 1 1 33 33 ALA N N 15 122.924 0.5 . 1 . . . . 33 ALA N . 25789 1
310 . 1 1 34 34 GLN H H 1 7.177 0.04 . 1 . . . . 34 GLN H . 25789 1
311 . 1 1 34 34 GLN HA H 1 3.595 0.04 . 1 . . . . 34 GLN HA . 25789 1
312 . 1 1 34 34 GLN HB2 H 1 1.657 0.04 . 2 . . . . 34 GLN HB2 . 25789 1
313 . 1 1 34 34 GLN HB3 H 1 2.179 0.04 . 2 . . . . 34 GLN HB3 . 25789 1
314 . 1 1 34 34 GLN HG2 H 1 2.042 0.04 . 2 . . . . 34 GLN HG2 . 25789 1
315 . 1 1 34 34 GLN HG3 H 1 3.099 0.04 . 2 . . . . 34 GLN HG3 . 25789 1
316 . 1 1 34 34 GLN HE21 H 1 6.915 0.04 . 2 . . . . 34 GLN HE21 . 25789 1
317 . 1 1 34 34 GLN HE22 H 1 7.962 0.04 . 2 . . . . 34 GLN HE22 . 25789 1
318 . 1 1 34 34 GLN C C 13 178.745 0.5 . 1 . . . . 34 GLN C . 25789 1
319 . 1 1 34 34 GLN CA C 13 58.880 0.5 . 1 . . . . 34 GLN CA . 25789 1
320 . 1 1 34 34 GLN CB C 13 27.349 0.5 . 1 . . . . 34 GLN CB . 25789 1
321 . 1 1 34 34 GLN CG C 13 31.092 0.5 . 1 . . . . 34 GLN CG . 25789 1
322 . 1 1 34 34 GLN N N 15 119.261 0.5 . 1 . . . . 34 GLN N . 25789 1
323 . 1 1 34 34 GLN NE2 N 15 111.618 0.5 . 1 . . . . 34 GLN NE2 . 25789 1
324 . 1 1 35 35 GLN H H 1 7.716 0.04 . 1 . . . . 35 GLN H . 25789 1
325 . 1 1 35 35 GLN HA H 1 4.008 0.04 . 1 . . . . 35 GLN HA . 25789 1
326 . 1 1 35 35 GLN HB2 H 1 1.112 0.04 . 2 . . . . 35 GLN HB2 . 25789 1
327 . 1 1 35 35 GLN HB3 H 1 1.878 0.04 . 2 . . . . 35 GLN HB3 . 25789 1
328 . 1 1 35 35 GLN HG2 H 1 2.008 0.04 . 2 . . . . 35 GLN HG2 . 25789 1
329 . 1 1 35 35 GLN HG3 H 1 2.160 0.04 . 2 . . . . 35 GLN HG3 . 25789 1
330 . 1 1 35 35 GLN HE21 H 1 7.035 0.04 . 2 . . . . 35 GLN HE21 . 25789 1
331 . 1 1 35 35 GLN HE22 H 1 7.695 0.04 . 2 . . . . 35 GLN HE22 . 25789 1
332 . 1 1 35 35 GLN C C 13 176.948 0.5 . 1 . . . . 35 GLN C . 25789 1
333 . 1 1 35 35 GLN CA C 13 57.174 0.5 . 1 . . . . 35 GLN CA . 25789 1
334 . 1 1 35 35 GLN CB C 13 29.865 0.5 . 1 . . . . 35 GLN CB . 25789 1
335 . 1 1 35 35 GLN N N 15 122.346 0.5 . 1 . . . . 35 GLN N . 25789 1
336 . 1 1 35 35 GLN NE2 N 15 113.592 0.5 . 1 . . . . 35 GLN NE2 . 25789 1
337 . 1 1 36 36 GLU H H 1 8.239 0.04 . 1 . . . . 36 GLU H . 25789 1
338 . 1 1 36 36 GLU HA H 1 3.891 0.04 . 1 . . . . 36 GLU HA . 25789 1
339 . 1 1 36 36 GLU HB2 H 1 1.963 0.04 . 2 . . . . 36 GLU HB2 . 25789 1
340 . 1 1 36 36 GLU HB3 H 1 2.052 0.04 . 2 . . . . 36 GLU HB3 . 25789 1
341 . 1 1 36 36 GLU HG2 H 1 2.245 0.04 . 2 . . . . 36 GLU HG2 . 25789 1
342 . 1 1 36 36 GLU HG3 H 1 2.476 0.04 . 2 . . . . 36 GLU HG3 . 25789 1
343 . 1 1 36 36 GLU C C 13 179.191 0.5 . 1 . . . . 36 GLU C . 25789 1
344 . 1 1 36 36 GLU CA C 13 58.444 0.5 . 1 . . . . 36 GLU CA . 25789 1
345 . 1 1 36 36 GLU CB C 13 30.860 0.5 . 1 . . . . 36 GLU CB . 25789 1
346 . 1 1 36 36 GLU CG C 13 36.758 0.5 . 1 . . . . 36 GLU CG . 25789 1
347 . 1 1 36 36 GLU N N 15 114.288 0.5 . 1 . . . . 36 GLU N . 25789 1
348 . 1 1 37 37 GLN H H 1 7.644 0.04 . 1 . . . . 37 GLN H . 25789 1
349 . 1 1 37 37 GLN HA H 1 4.382 0.04 . 1 . . . . 37 GLN HA . 25789 1
350 . 1 1 37 37 GLN HB2 H 1 2.068 0.04 . 1 . . . . 37 GLN HB2 . 25789 1
351 . 1 1 37 37 GLN HG2 H 1 2.307 0.04 . 2 . . . . 37 GLN HG2 . 25789 1
352 . 1 1 37 37 GLN HG3 H 1 3.377 0.04 . 2 . . . . 37 GLN HG3 . 25789 1
353 . 1 1 37 37 GLN HE21 H 1 6.920 0.04 . 2 . . . . 37 GLN HE21 . 25789 1
354 . 1 1 37 37 GLN HE22 H 1 7.986 0.04 . 2 . . . . 37 GLN HE22 . 25789 1
355 . 1 1 37 37 GLN C C 13 177.125 0.5 . 1 . . . . 37 GLN C . 25789 1
356 . 1 1 37 37 GLN CA C 13 56.848 0.5 . 1 . . . . 37 GLN CA . 25789 1
357 . 1 1 37 37 GLN CB C 13 30.442 0.5 . 1 . . . . 37 GLN CB . 25789 1
358 . 1 1 37 37 GLN CG C 13 34.028 0.5 . 1 . . . . 37 GLN CG . 25789 1
359 . 1 1 37 37 GLN N N 15 112.767 0.5 . 1 . . . . 37 GLN N . 25789 1
360 . 1 1 37 37 GLN NE2 N 15 111.726 0.5 . 1 . . . . 37 GLN NE2 . 25789 1
361 . 1 1 38 38 CYS H H 1 7.704 0.04 . 1 . . . . 38 CYS H . 25789 1
362 . 1 1 38 38 CYS HA H 1 5.033 0.04 . 1 . . . . 38 CYS HA . 25789 1
363 . 1 1 38 38 CYS HB2 H 1 2.873 0.04 . 2 . . . . 38 CYS HB2 . 25789 1
364 . 1 1 38 38 CYS HB3 H 1 3.051 0.04 . 2 . . . . 38 CYS HB3 . 25789 1
365 . 1 1 38 38 CYS C C 13 174.561 0.5 . 1 . . . . 38 CYS C . 25789 1
366 . 1 1 38 38 CYS CA C 13 54.813 0.5 . 1 . . . . 38 CYS CA . 25789 1
367 . 1 1 38 38 CYS CB C 13 41.981 0.5 . 1 . . . . 38 CYS CB . 25789 1
368 . 1 1 38 38 CYS N N 15 115.172 0.5 . 1 . . . . 38 CYS N . 25789 1
369 . 1 1 39 39 ASP H H 1 7.824 0.04 . 1 . . . . 39 ASP H . 25789 1
370 . 1 1 39 39 ASP HA H 1 5.035 0.04 . 1 . . . . 39 ASP HA . 25789 1
371 . 1 1 39 39 ASP HB2 H 1 2.462 0.04 . 2 . . . . 39 ASP HB2 . 25789 1
372 . 1 1 39 39 ASP HB3 H 1 2.806 0.04 . 2 . . . . 39 ASP HB3 . 25789 1
373 . 1 1 39 39 ASP CA C 13 51.652 0.5 . 1 . . . . 39 ASP CA . 25789 1
374 . 1 1 39 39 ASP CB C 13 41.995 0.5 . 1 . . . . 39 ASP CB . 25789 1
375 . 1 1 39 39 ASP N N 15 118.112 0.5 . 1 . . . . 39 ASP N . 25789 1
376 . 1 1 40 40 PRO HA H 1 4.682 0.04 . 1 . . . . 40 PRO HA . 25789 1
377 . 1 1 40 40 PRO HB2 H 1 2.003 0.04 . 2 . . . . 40 PRO HB2 . 25789 1
378 . 1 1 40 40 PRO HB3 H 1 2.377 0.04 . 2 . . . . 40 PRO HB3 . 25789 1
379 . 1 1 40 40 PRO HG2 H 1 1.883 0.04 . 1 . . . . 40 PRO HG2 . 25789 1
380 . 1 1 40 40 PRO HD2 H 1 3.589 0.04 . 2 . . . . 40 PRO HD2 . 25789 1
381 . 1 1 40 40 PRO HD3 H 1 3.839 0.04 . 2 . . . . 40 PRO HD3 . 25789 1
382 . 1 1 40 40 PRO C C 13 177.751 0.5 . 1 . . . . 40 PRO C . 25789 1
383 . 1 1 40 40 PRO CA C 13 63.531 0.5 . 1 . . . . 40 PRO CA . 25789 1
384 . 1 1 40 40 PRO CB C 13 32.479 0.5 . 1 . . . . 40 PRO CB . 25789 1
385 . 1 1 40 40 PRO CD C 13 50.390 0.5 . 1 . . . . 40 PRO CD . 25789 1
386 . 1 1 41 41 ASN H H 1 8.183 0.04 . 1 . . . . 41 ASN H . 25789 1
387 . 1 1 41 41 ASN HA H 1 4.710 0.04 . 1 . . . . 41 ASN HA . 25789 1
388 . 1 1 41 41 ASN HB2 H 1 2.882 0.04 . 1 . . . . 41 ASN HB2 . 25789 1
389 . 1 1 41 41 ASN HD21 H 1 7.450 0.04 . 1 . . . . 41 ASN HD21 . 25789 1
390 . 1 1 41 41 ASN C C 13 175.877 0.5 . 1 . . . . 41 ASN C . 25789 1
391 . 1 1 41 41 ASN CA C 13 53.533 0.5 . 1 . . . . 41 ASN CA . 25789 1
392 . 1 1 41 41 ASN CB C 13 39.317 0.5 . 1 . . . . 41 ASN CB . 25789 1
393 . 1 1 41 41 ASN N N 15 114.538 0.5 . 1 . . . . 41 ASN N . 25789 1
394 . 1 1 41 41 ASN ND2 N 15 115.432 0.5 . 1 . . . . 41 ASN ND2 . 25789 1
395 . 1 1 42 42 ILE H H 1 7.260 0.04 . 1 . . . . 42 ILE H . 25789 1
396 . 1 1 42 42 ILE HA H 1 4.188 0.04 . 1 . . . . 42 ILE HA . 25789 1
397 . 1 1 42 42 ILE HB H 1 1.940 0.04 . 1 . . . . 42 ILE HB . 25789 1
398 . 1 1 42 42 ILE HG12 H 1 1.338 0.04 . 2 . . . . 42 ILE HG12 . 25789 1
399 . 1 1 42 42 ILE HG13 H 1 1.636 0.04 . 2 . . . . 42 ILE HG13 . 25789 1
400 . 1 1 42 42 ILE HG21 H 1 0.911 0.04 . 1 . . . . 42 ILE HG21 . 25789 1
401 . 1 1 42 42 ILE HG22 H 1 0.911 0.04 . 1 . . . . 42 ILE HG22 . 25789 1
402 . 1 1 42 42 ILE HG23 H 1 0.911 0.04 . 1 . . . . 42 ILE HG23 . 25789 1
403 . 1 1 42 42 ILE HD11 H 1 0.633 0.04 . 1 . . . . 42 ILE HD11 . 25789 1
404 . 1 1 42 42 ILE HD12 H 1 0.633 0.04 . 1 . . . . 42 ILE HD12 . 25789 1
405 . 1 1 42 42 ILE HD13 H 1 0.633 0.04 . 1 . . . . 42 ILE HD13 . 25789 1
406 . 1 1 42 42 ILE C C 13 174.947 0.5 . 1 . . . . 42 ILE C . 25789 1
407 . 1 1 42 42 ILE CA C 13 62.863 0.5 . 1 . . . . 42 ILE CA . 25789 1
408 . 1 1 42 42 ILE CB C 13 39.653 0.5 . 1 . . . . 42 ILE CB . 25789 1
409 . 1 1 42 42 ILE CG1 C 13 25.383 0.5 . 1 . . . . 42 ILE CG1 . 25789 1
410 . 1 1 42 42 ILE CG2 C 13 17.314 0.5 . 1 . . . . 42 ILE CG2 . 25789 1
411 . 1 1 42 42 ILE CD1 C 13 14.048 0.5 . 1 . . . . 42 ILE CD1 . 25789 1
412 . 1 1 42 42 ILE N N 15 117.609 0.5 . 1 . . . . 42 ILE N . 25789 1
413 . 1 1 43 43 THR H H 1 8.828 0.04 . 1 . . . . 43 THR H . 25789 1
414 . 1 1 43 43 THR HA H 1 4.814 0.04 . 1 . . . . 43 THR HA . 25789 1
415 . 1 1 43 43 THR HB H 1 4.203 0.04 . 1 . . . . 43 THR HB . 25789 1
416 . 1 1 43 43 THR HG21 H 1 1.178 0.04 . 1 . . . . 43 THR HG21 . 25789 1
417 . 1 1 43 43 THR HG22 H 1 1.178 0.04 . 1 . . . . 43 THR HG22 . 25789 1
418 . 1 1 43 43 THR HG23 H 1 1.178 0.04 . 1 . . . . 43 THR HG23 . 25789 1
419 . 1 1 43 43 THR C C 13 173.737 0.5 . 1 . . . . 43 THR C . 25789 1
420 . 1 1 43 43 THR CA C 13 60.118 0.5 . 1 . . . . 43 THR CA . 25789 1
421 . 1 1 43 43 THR CB C 13 72.559 0.5 . 1 . . . . 43 THR CB . 25789 1
422 . 1 1 43 43 THR CG2 C 13 22.174 0.5 . 1 . . . . 43 THR CG2 . 25789 1
423 . 1 1 43 43 THR N N 15 114.448 0.5 . 1 . . . . 43 THR N . 25789 1
424 . 1 1 44 44 ILE H H 1 8.487 0.04 . 1 . . . . 44 ILE H . 25789 1
425 . 1 1 44 44 ILE HA H 1 3.475 0.04 . 1 . . . . 44 ILE HA . 25789 1
426 . 1 1 44 44 ILE HB H 1 1.441 0.04 . 1 . . . . 44 ILE HB . 25789 1
427 . 1 1 44 44 ILE HG12 H 1 -0.595 0.04 . 2 . . . . 44 ILE HG12 . 25789 1
428 . 1 1 44 44 ILE HG13 H 1 0.022 0.04 . 2 . . . . 44 ILE HG13 . 25789 1
429 . 1 1 44 44 ILE HG21 H 1 0.356 0.04 . 1 . . . . 44 ILE HG21 . 25789 1
430 . 1 1 44 44 ILE HG22 H 1 0.356 0.04 . 1 . . . . 44 ILE HG22 . 25789 1
431 . 1 1 44 44 ILE HG23 H 1 0.356 0.04 . 1 . . . . 44 ILE HG23 . 25789 1
432 . 1 1 44 44 ILE HD11 H 1 0.380 0.04 . 1 . . . . 44 ILE HD11 . 25789 1
433 . 1 1 44 44 ILE HD12 H 1 0.380 0.04 . 1 . . . . 44 ILE HD12 . 25789 1
434 . 1 1 44 44 ILE HD13 H 1 0.380 0.04 . 1 . . . . 44 ILE HD13 . 25789 1
435 . 1 1 44 44 ILE C C 13 176.400 0.5 . 1 . . . . 44 ILE C . 25789 1
436 . 1 1 44 44 ILE CA C 13 62.849 0.5 . 1 . . . . 44 ILE CA . 25789 1
437 . 1 1 44 44 ILE CB C 13 37.712 0.5 . 1 . . . . 44 ILE CB . 25789 1
438 . 1 1 44 44 ILE CG1 C 13 27.287 0.5 . 1 . . . . 44 ILE CG1 . 25789 1
439 . 1 1 44 44 ILE CG2 C 13 16.857 0.5 . 1 . . . . 44 ILE CG2 . 25789 1
440 . 1 1 44 44 ILE CD1 C 13 12.865 0.5 . 1 . . . . 44 ILE CD1 . 25789 1
441 . 1 1 44 44 ILE N N 15 121.256 0.5 . 1 . . . . 44 ILE N . 25789 1
442 . 1 1 45 45 ALA H H 1 9.195 0.04 . 1 . . . . 45 ALA H . 25789 1
443 . 1 1 45 45 ALA HA H 1 4.210 0.04 . 1 . . . . 45 ALA HA . 25789 1
444 . 1 1 45 45 ALA HB1 H 1 1.168 0.04 . 1 . . . . 45 ALA HB1 . 25789 1
445 . 1 1 45 45 ALA HB2 H 1 1.168 0.04 . 1 . . . . 45 ALA HB2 . 25789 1
446 . 1 1 45 45 ALA HB3 H 1 1.168 0.04 . 1 . . . . 45 ALA HB3 . 25789 1
447 . 1 1 45 45 ALA C C 13 178.725 0.5 . 1 . . . . 45 ALA C . 25789 1
448 . 1 1 45 45 ALA CA C 13 54.537 0.5 . 1 . . . . 45 ALA CA . 25789 1
449 . 1 1 45 45 ALA CB C 13 19.216 0.5 . 1 . . . . 45 ALA CB . 25789 1
450 . 1 1 45 45 ALA N N 15 135.414 0.5 . 1 . . . . 45 ALA N . 25789 1
451 . 1 1 46 46 HIS H H 1 7.240 0.04 . 1 . . . . 46 HIS H . 25789 1
452 . 1 1 46 46 HIS HA H 1 4.608 0.04 . 1 . . . . 46 HIS HA . 25789 1
453 . 1 1 46 46 HIS HB2 H 1 3.204 0.04 . 2 . . . . 46 HIS HB2 . 25789 1
454 . 1 1 46 46 HIS HB3 H 1 3.820 0.04 . 2 . . . . 46 HIS HB3 . 25789 1
455 . 1 1 46 46 HIS HD2 H 1 7.212 0.04 . 1 . . . . 46 HIS HD2 . 25789 1
456 . 1 1 46 46 HIS HE1 H 1 8.735 0.04 . 1 . . . . 46 HIS HE1 . 25789 1
457 . 1 1 46 46 HIS C C 13 173.062 0.5 . 1 . . . . 46 HIS C . 25789 1
458 . 1 1 46 46 HIS CA C 13 54.573 0.5 . 1 . . . . 46 HIS CA . 25789 1
459 . 1 1 46 46 HIS CB C 13 29.351 0.5 . 1 . . . . 46 HIS CB . 25789 1
460 . 1 1 46 46 HIS CD2 C 13 121.406 0.5 . 1 . . . . 46 HIS CD2 . 25789 1
461 . 1 1 46 46 HIS CE1 C 13 137.116 0.5 . 1 . . . . 46 HIS CE1 . 25789 1
462 . 1 1 46 46 HIS N N 15 106.909 0.5 . 1 . . . . 46 HIS N . 25789 1
463 . 1 1 47 47 MET H H 1 9.092 0.04 . 1 . . . . 47 MET H . 25789 1
464 . 1 1 47 47 MET HA H 1 4.655 0.04 . 1 . . . . 47 MET HA . 25789 1
465 . 1 1 47 47 MET HB2 H 1 2.048 0.04 . 2 . . . . 47 MET HB2 . 25789 1
466 . 1 1 47 47 MET HB3 H 1 2.894 0.04 . 2 . . . . 47 MET HB3 . 25789 1
467 . 1 1 47 47 MET HE1 H 1 1.872 0.04 . 1 . . . . 47 MET HE1 . 25789 1
468 . 1 1 47 47 MET HE2 H 1 1.872 0.04 . 1 . . . . 47 MET HE2 . 25789 1
469 . 1 1 47 47 MET HE3 H 1 1.872 0.04 . 1 . . . . 47 MET HE3 . 25789 1
470 . 1 1 47 47 MET C C 13 179.036 0.5 . 1 . . . . 47 MET C . 25789 1
471 . 1 1 47 47 MET CA C 13 54.965 0.5 . 1 . . . . 47 MET CA . 25789 1
472 . 1 1 47 47 MET CB C 13 31.458 0.5 . 1 . . . . 47 MET CB . 25789 1
473 . 1 1 47 47 MET CE C 13 16.877 0.5 . 1 . . . . 47 MET CE . 25789 1
474 . 1 1 47 47 MET N N 15 119.326 0.5 . 1 . . . . 47 MET N . 25789 1
475 . 1 1 48 48 GLY H H 1 8.162 0.04 . 1 . . . . 48 GLY H . 25789 1
476 . 1 1 48 48 GLY HA2 H 1 3.379 0.04 . 2 . . . . 48 GLY HA2 . 25789 1
477 . 1 1 48 48 GLY HA3 H 1 4.519 0.04 . 2 . . . . 48 GLY HA3 . 25789 1
478 . 1 1 48 48 GLY C C 13 170.539 0.5 . 1 . . . . 48 GLY C . 25789 1
479 . 1 1 48 48 GLY CA C 13 44.288 0.5 . 1 . . . . 48 GLY CA . 25789 1
480 . 1 1 48 48 GLY N N 15 114.963 0.5 . 1 . . . . 48 GLY N . 25789 1
481 . 1 1 49 49 GLU H H 1 8.225 0.04 . 1 . . . . 49 GLU H . 25789 1
482 . 1 1 49 49 GLU HA H 1 3.971 0.04 . 1 . . . . 49 GLU HA . 25789 1
483 . 1 1 49 49 GLU HB2 H 1 1.975 0.04 . 2 . . . . 49 GLU HB2 . 25789 1
484 . 1 1 49 49 GLU HB3 H 1 2.208 0.04 . 2 . . . . 49 GLU HB3 . 25789 1
485 . 1 1 49 49 GLU C C 13 178.243 0.5 . 1 . . . . 49 GLU C . 25789 1
486 . 1 1 49 49 GLU CA C 13 56.770 0.5 . 1 . . . . 49 GLU CA . 25789 1
487 . 1 1 49 49 GLU CB C 13 30.475 0.5 . 1 . . . . 49 GLU CB . 25789 1
488 . 1 1 49 49 GLU N N 15 113.303 0.5 . 1 . . . . 49 GLU N . 25789 1
489 . 1 1 50 50 CYS H H 1 8.373 0.04 . 1 . . . . 50 CYS H . 25789 1
490 . 1 1 50 50 CYS HA H 1 4.396 0.04 . 1 . . . . 50 CYS HA . 25789 1
491 . 1 1 50 50 CYS HB2 H 1 2.593 0.04 . 2 . . . . 50 CYS HB2 . 25789 1
492 . 1 1 50 50 CYS HB3 H 1 3.164 0.04 . 2 . . . . 50 CYS HB3 . 25789 1
493 . 1 1 50 50 CYS CA C 13 56.403 0.5 . 1 . . . . 50 CYS CA . 25789 1
494 . 1 1 50 50 CYS CB C 13 38.074 0.5 . 1 . . . . 50 CYS CB . 25789 1
495 . 1 1 50 50 CYS N N 15 124.377 0.5 . 1 . . . . 50 CYS N . 25789 1
stop_
save_