Content for NMR-STAR saveframe, "chemical_shift_1"
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11368
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11368 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11368 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 $XWINNMR . . 11368 1
2 $NMRPipe . . 11368 1
3 $NMRVIEW . . 11368 1
4 $Kujira . . 11368 1
5 $CYANA . . 11368 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 8 8 SER HA H 1 4.454 0.030 . 1 . . . . 8 SER HA . 11368 1
2 . 1 1 8 8 SER C C 13 174.819 0.300 . 1 . . . . 8 SER C . 11368 1
3 . 1 1 8 8 SER CA C 13 58.469 0.300 . 1 . . . . 8 SER CA . 11368 1
4 . 1 1 8 8 SER CB C 13 63.946 0.300 . 1 . . . . 8 SER CB . 11368 1
5 . 1 1 9 9 ARG H H 1 8.450 0.030 . 1 . . . . 9 ARG H . 11368 1
6 . 1 1 9 9 ARG HA H 1 4.392 0.030 . 1 . . . . 9 ARG HA . 11368 1
7 . 1 1 9 9 ARG HB2 H 1 1.912 0.030 . 2 . . . . 9 ARG HB2 . 11368 1
8 . 1 1 9 9 ARG HB3 H 1 1.790 0.030 . 2 . . . . 9 ARG HB3 . 11368 1
9 . 1 1 9 9 ARG HD2 H 1 3.188 0.030 . 1 . . . . 9 ARG HD2 . 11368 1
10 . 1 1 9 9 ARG HD3 H 1 3.188 0.030 . 1 . . . . 9 ARG HD3 . 11368 1
11 . 1 1 9 9 ARG HG2 H 1 1.674 0.030 . 2 . . . . 9 ARG HG2 . 11368 1
12 . 1 1 9 9 ARG HG3 H 1 1.620 0.030 . 2 . . . . 9 ARG HG3 . 11368 1
13 . 1 1 9 9 ARG C C 13 176.414 0.300 . 1 . . . . 9 ARG C . 11368 1
14 . 1 1 9 9 ARG CA C 13 56.299 0.300 . 1 . . . . 9 ARG CA . 11368 1
15 . 1 1 9 9 ARG CB C 13 30.678 0.300 . 1 . . . . 9 ARG CB . 11368 1
16 . 1 1 9 9 ARG CD C 13 43.340 0.300 . 1 . . . . 9 ARG CD . 11368 1
17 . 1 1 9 9 ARG CG C 13 27.119 0.300 . 1 . . . . 9 ARG CG . 11368 1
18 . 1 1 9 9 ARG N N 15 123.030 0.300 . 1 . . . . 9 ARG N . 11368 1
19 . 1 1 10 10 GLU H H 1 8.399 0.030 . 1 . . . . 10 GLU H . 11368 1
20 . 1 1 10 10 GLU HA H 1 4.383 0.030 . 1 . . . . 10 GLU HA . 11368 1
21 . 1 1 10 10 GLU HB2 H 1 2.115 0.030 . 2 . . . . 10 GLU HB2 . 11368 1
22 . 1 1 10 10 GLU HB3 H 1 1.966 0.030 . 2 . . . . 10 GLU HB3 . 11368 1
23 . 1 1 10 10 GLU HG2 H 1 2.321 0.030 . 1 . . . . 10 GLU HG2 . 11368 1
24 . 1 1 10 10 GLU HG3 H 1 2.321 0.030 . 1 . . . . 10 GLU HG3 . 11368 1
25 . 1 1 10 10 GLU C C 13 176.313 0.300 . 1 . . . . 10 GLU C . 11368 1
26 . 1 1 10 10 GLU CA C 13 56.529 0.300 . 1 . . . . 10 GLU CA . 11368 1
27 . 1 1 10 10 GLU CB C 13 30.408 0.300 . 1 . . . . 10 GLU CB . 11368 1
28 . 1 1 10 10 GLU CG C 13 36.365 0.300 . 1 . . . . 10 GLU CG . 11368 1
29 . 1 1 10 10 GLU N N 15 121.517 0.300 . 1 . . . . 10 GLU N . 11368 1
30 . 1 1 11 11 LYS H H 1 8.363 0.030 . 1 . . . . 11 LYS H . 11368 1
31 . 1 1 11 11 LYS HA H 1 4.347 0.030 . 1 . . . . 11 LYS HA . 11368 1
32 . 1 1 11 11 LYS HB2 H 1 1.805 0.030 . 2 . . . . 11 LYS HB2 . 11368 1
33 . 1 1 11 11 LYS HB3 H 1 1.756 0.030 . 2 . . . . 11 LYS HB3 . 11368 1
34 . 1 1 11 11 LYS HD2 H 1 1.679 0.030 . 1 . . . . 11 LYS HD2 . 11368 1
35 . 1 1 11 11 LYS HD3 H 1 1.679 0.030 . 1 . . . . 11 LYS HD3 . 11368 1
36 . 1 1 11 11 LYS HE2 H 1 2.987 0.030 . 1 . . . . 11 LYS HE2 . 11368 1
37 . 1 1 11 11 LYS HE3 H 1 2.987 0.030 . 1 . . . . 11 LYS HE3 . 11368 1
38 . 1 1 11 11 LYS HG2 H 1 1.363 0.030 . 2 . . . . 11 LYS HG2 . 11368 1
39 . 1 1 11 11 LYS HG3 H 1 1.324 0.030 . 2 . . . . 11 LYS HG3 . 11368 1
40 . 1 1 11 11 LYS C C 13 175.341 0.300 . 1 . . . . 11 LYS C . 11368 1
41 . 1 1 11 11 LYS CA C 13 56.172 0.300 . 1 . . . . 11 LYS CA . 11368 1
42 . 1 1 11 11 LYS CB C 13 33.127 0.300 . 1 . . . . 11 LYS CB . 11368 1
43 . 1 1 11 11 LYS CD C 13 29.103 0.300 . 1 . . . . 11 LYS CD . 11368 1
44 . 1 1 11 11 LYS CE C 13 42.235 0.300 . 1 . . . . 11 LYS CE . 11368 1
45 . 1 1 11 11 LYS CG C 13 24.753 0.300 . 1 . . . . 11 LYS CG . 11368 1
46 . 1 1 11 11 LYS N N 15 122.057 0.300 . 1 . . . . 11 LYS N . 11368 1
47 . 1 1 12 12 SER H H 1 7.868 0.030 . 1 . . . . 12 SER H . 11368 1
48 . 1 1 12 12 SER HA H 1 4.474 0.030 . 1 . . . . 12 SER HA . 11368 1
49 . 1 1 12 12 SER HB2 H 1 3.631 0.030 . 2 . . . . 12 SER HB2 . 11368 1
50 . 1 1 12 12 SER HB3 H 1 3.574 0.030 . 2 . . . . 12 SER HB3 . 11368 1
51 . 1 1 12 12 SER C C 13 172.841 0.300 . 1 . . . . 12 SER C . 11368 1
52 . 1 1 12 12 SER CA C 13 57.603 0.300 . 1 . . . . 12 SER CA . 11368 1
53 . 1 1 12 12 SER CB C 13 64.757 0.300 . 1 . . . . 12 SER CB . 11368 1
54 . 1 1 12 12 SER N N 15 115.085 0.300 . 1 . . . . 12 SER N . 11368 1
55 . 1 1 13 13 HIS H H 1 8.552 0.030 . 1 . . . . 13 HIS H . 11368 1
56 . 1 1 13 13 HIS HA H 1 4.770 0.030 . 1 . . . . 13 HIS HA . 11368 1
57 . 1 1 13 13 HIS HB2 H 1 3.104 0.030 . 2 . . . . 13 HIS HB2 . 11368 1
58 . 1 1 13 13 HIS HB3 H 1 2.955 0.030 . 2 . . . . 13 HIS HB3 . 11368 1
59 . 1 1 13 13 HIS HD2 H 1 6.673 0.030 . 1 . . . . 13 HIS HD2 . 11368 1
60 . 1 1 13 13 HIS HE1 H 1 7.776 0.030 . 1 . . . . 13 HIS HE1 . 11368 1
61 . 1 1 13 13 HIS C C 13 173.781 0.300 . 1 . . . . 13 HIS C . 11368 1
62 . 1 1 13 13 HIS CA C 13 55.407 0.300 . 1 . . . . 13 HIS CA . 11368 1
63 . 1 1 13 13 HIS CB C 13 32.683 0.300 . 1 . . . . 13 HIS CB . 11368 1
64 . 1 1 13 13 HIS CD2 C 13 119.984 0.300 . 1 . . . . 13 HIS CD2 . 11368 1
65 . 1 1 13 13 HIS CE1 C 13 138.750 0.300 . 1 . . . . 13 HIS CE1 . 11368 1
66 . 1 1 13 13 HIS N N 15 120.891 0.300 . 1 . . . . 13 HIS N . 11368 1
67 . 1 1 14 14 GLN H H 1 8.796 0.030 . 1 . . . . 14 GLN H . 11368 1
68 . 1 1 14 14 GLN HA H 1 5.100 0.030 . 1 . . . . 14 GLN HA . 11368 1
69 . 1 1 14 14 GLN HB2 H 1 2.003 0.030 . 2 . . . . 14 GLN HB2 . 11368 1
70 . 1 1 14 14 GLN HB3 H 1 1.704 0.030 . 2 . . . . 14 GLN HB3 . 11368 1
71 . 1 1 14 14 GLN HE21 H 1 7.625 0.030 . 2 . . . . 14 GLN HE21 . 11368 1
72 . 1 1 14 14 GLN HE22 H 1 6.859 0.030 . 2 . . . . 14 GLN HE22 . 11368 1
73 . 1 1 14 14 GLN HG2 H 1 2.017 0.030 . 1 . . . . 14 GLN HG2 . 11368 1
74 . 1 1 14 14 GLN HG3 H 1 2.017 0.030 . 1 . . . . 14 GLN HG3 . 11368 1
75 . 1 1 14 14 GLN C C 13 174.926 0.300 . 1 . . . . 14 GLN C . 11368 1
76 . 1 1 14 14 GLN CA C 13 54.294 0.300 . 1 . . . . 14 GLN CA . 11368 1
77 . 1 1 14 14 GLN CB C 13 31.465 0.300 . 1 . . . . 14 GLN CB . 11368 1
78 . 1 1 14 14 GLN CG C 13 33.388 0.300 . 1 . . . . 14 GLN CG . 11368 1
79 . 1 1 14 14 GLN N N 15 124.309 0.300 . 1 . . . . 14 GLN N . 11368 1
80 . 1 1 14 14 GLN NE2 N 15 112.345 0.300 . 1 . . . . 14 GLN NE2 . 11368 1
81 . 1 1 15 15 CYS H H 1 9.317 0.030 . 1 . . . . 15 CYS H . 11368 1
82 . 1 1 15 15 CYS HA H 1 4.547 0.030 . 1 . . . . 15 CYS HA . 11368 1
83 . 1 1 15 15 CYS HB2 H 1 3.397 0.030 . 2 . . . . 15 CYS HB2 . 11368 1
84 . 1 1 15 15 CYS HB3 H 1 2.875 0.030 . 2 . . . . 15 CYS HB3 . 11368 1
85 . 1 1 15 15 CYS C C 13 177.529 0.300 . 1 . . . . 15 CYS C . 11368 1
86 . 1 1 15 15 CYS CA C 13 59.722 0.300 . 1 . . . . 15 CYS CA . 11368 1
87 . 1 1 15 15 CYS CB C 13 29.537 0.300 . 1 . . . . 15 CYS CB . 11368 1
88 . 1 1 15 15 CYS N N 15 110.612 0.300 . 1 . . . . 15 CYS N . 11368 1
89 . 1 1 16 16 ARG H H 1 9.349 0.030 . 1 . . . . 16 ARG H . 11368 1
90 . 1 1 16 16 ARG HA H 1 4.184 0.030 . 1 . . . . 16 ARG HA . 11368 1
91 . 1 1 16 16 ARG HB2 H 1 1.984 0.030 . 1 . . . . 16 ARG HB2 . 11368 1
92 . 1 1 16 16 ARG HB3 H 1 1.984 0.030 . 1 . . . . 16 ARG HB3 . 11368 1
93 . 1 1 16 16 ARG HD2 H 1 3.283 0.030 . 1 . . . . 16 ARG HD2 . 11368 1
94 . 1 1 16 16 ARG HD3 H 1 3.283 0.030 . 1 . . . . 16 ARG HD3 . 11368 1
95 . 1 1 16 16 ARG HG2 H 1 1.786 0.030 . 1 . . . . 16 ARG HG2 . 11368 1
96 . 1 1 16 16 ARG HG3 H 1 1.786 0.030 . 1 . . . . 16 ARG HG3 . 11368 1
97 . 1 1 16 16 ARG C C 13 176.689 0.300 . 1 . . . . 16 ARG C . 11368 1
98 . 1 1 16 16 ARG CA C 13 58.291 0.300 . 1 . . . . 16 ARG CA . 11368 1
99 . 1 1 16 16 ARG CB C 13 30.047 0.300 . 1 . . . . 16 ARG CB . 11368 1
100 . 1 1 16 16 ARG CD C 13 43.285 0.300 . 1 . . . . 16 ARG CD . 11368 1
101 . 1 1 16 16 ARG CG C 13 27.321 0.300 . 1 . . . . 16 ARG CG . 11368 1
102 . 1 1 16 16 ARG N N 15 114.301 0.300 . 1 . . . . 16 ARG N . 11368 1
103 . 1 1 17 17 GLU H H 1 8.657 0.030 . 1 . . . . 17 GLU H . 11368 1
104 . 1 1 17 17 GLU HA H 1 4.227 0.030 . 1 . . . . 17 GLU HA . 11368 1
105 . 1 1 17 17 GLU HB2 H 1 1.403 0.030 . 2 . . . . 17 GLU HB2 . 11368 1
106 . 1 1 17 17 GLU HB3 H 1 1.364 0.030 . 2 . . . . 17 GLU HB3 . 11368 1
107 . 1 1 17 17 GLU HG2 H 1 1.928 0.030 . 2 . . . . 17 GLU HG2 . 11368 1
108 . 1 1 17 17 GLU HG3 H 1 1.847 0.030 . 2 . . . . 17 GLU HG3 . 11368 1
109 . 1 1 17 17 GLU C C 13 177.316 0.300 . 1 . . . . 17 GLU C . 11368 1
110 . 1 1 17 17 GLU CA C 13 58.285 0.300 . 1 . . . . 17 GLU CA . 11368 1
111 . 1 1 17 17 GLU CB C 13 29.512 0.300 . 1 . . . . 17 GLU CB . 11368 1
112 . 1 1 17 17 GLU CG C 13 35.731 0.300 . 1 . . . . 17 GLU CG . 11368 1
113 . 1 1 17 17 GLU N N 15 120.085 0.300 . 1 . . . . 17 GLU N . 11368 1
114 . 1 1 18 18 CYS H H 1 7.962 0.030 . 1 . . . . 18 CYS H . 11368 1
115 . 1 1 18 18 CYS HA H 1 5.199 0.030 . 1 . . . . 18 CYS HA . 11368 1
116 . 1 1 18 18 CYS HB2 H 1 3.501 0.030 . 2 . . . . 18 CYS HB2 . 11368 1
117 . 1 1 18 18 CYS HB3 H 1 2.875 0.030 . 2 . . . . 18 CYS HB3 . 11368 1
118 . 1 1 18 18 CYS C C 13 176.303 0.300 . 1 . . . . 18 CYS C . 11368 1
119 . 1 1 18 18 CYS CA C 13 58.382 0.300 . 1 . . . . 18 CYS CA . 11368 1
120 . 1 1 18 18 CYS CB C 13 32.648 0.300 . 1 . . . . 18 CYS CB . 11368 1
121 . 1 1 18 18 CYS N N 15 114.713 0.300 . 1 . . . . 18 CYS N . 11368 1
122 . 1 1 19 19 GLY H H 1 8.131 0.030 . 1 . . . . 19 GLY H . 11368 1
123 . 1 1 19 19 GLY HA2 H 1 4.319 0.030 . 2 . . . . 19 GLY HA2 . 11368 1
124 . 1 1 19 19 GLY HA3 H 1 3.825 0.030 . 2 . . . . 19 GLY HA3 . 11368 1
125 . 1 1 19 19 GLY C C 13 174.114 0.300 . 1 . . . . 19 GLY C . 11368 1
126 . 1 1 19 19 GLY CA C 13 46.081 0.300 . 1 . . . . 19 GLY CA . 11368 1
127 . 1 1 19 19 GLY N N 15 113.291 0.300 . 1 . . . . 19 GLY N . 11368 1
128 . 1 1 20 20 GLU H H 1 8.148 0.030 . 1 . . . . 20 GLU H . 11368 1
129 . 1 1 20 20 GLU HA H 1 3.961 0.030 . 1 . . . . 20 GLU HA . 11368 1
130 . 1 1 20 20 GLU HB2 H 1 1.776 0.030 . 2 . . . . 20 GLU HB2 . 11368 1
131 . 1 1 20 20 GLU HB3 H 1 1.390 0.030 . 2 . . . . 20 GLU HB3 . 11368 1
132 . 1 1 20 20 GLU HG2 H 1 2.072 0.030 . 2 . . . . 20 GLU HG2 . 11368 1
133 . 1 1 20 20 GLU HG3 H 1 1.844 0.030 . 2 . . . . 20 GLU HG3 . 11368 1
134 . 1 1 20 20 GLU C C 13 174.074 0.300 . 1 . . . . 20 GLU C . 11368 1
135 . 1 1 20 20 GLU CA C 13 58.379 0.300 . 1 . . . . 20 GLU CA . 11368 1
136 . 1 1 20 20 GLU CB C 13 30.232 0.300 . 1 . . . . 20 GLU CB . 11368 1
137 . 1 1 20 20 GLU CG C 13 36.987 0.300 . 1 . . . . 20 GLU CG . 11368 1
138 . 1 1 20 20 GLU N N 15 124.452 0.300 . 1 . . . . 20 GLU N . 11368 1
139 . 1 1 21 21 ILE H H 1 7.842 0.030 . 1 . . . . 21 ILE H . 11368 1
140 . 1 1 21 21 ILE HA H 1 4.454 0.030 . 1 . . . . 21 ILE HA . 11368 1
141 . 1 1 21 21 ILE HB H 1 1.423 0.030 . 1 . . . . 21 ILE HB . 11368 1
142 . 1 1 21 21 ILE HD11 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1
143 . 1 1 21 21 ILE HD12 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1
144 . 1 1 21 21 ILE HD13 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1
145 . 1 1 21 21 ILE HG12 H 1 1.570 0.030 . 2 . . . . 21 ILE HG12 . 11368 1
146 . 1 1 21 21 ILE HG13 H 1 0.811 0.030 . 2 . . . . 21 ILE HG13 . 11368 1
147 . 1 1 21 21 ILE HG21 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1
148 . 1 1 21 21 ILE HG22 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1
149 . 1 1 21 21 ILE HG23 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1
150 . 1 1 21 21 ILE C C 13 174.548 0.300 . 1 . . . . 21 ILE C . 11368 1
151 . 1 1 21 21 ILE CA C 13 60.328 0.300 . 1 . . . . 21 ILE CA . 11368 1
152 . 1 1 21 21 ILE CB C 13 39.918 0.300 . 1 . . . . 21 ILE CB . 11368 1
153 . 1 1 21 21 ILE CD1 C 13 13.134 0.300 . 1 . . . . 21 ILE CD1 . 11368 1
154 . 1 1 21 21 ILE CG1 C 13 27.833 0.300 . 1 . . . . 21 ILE CG1 . 11368 1
155 . 1 1 21 21 ILE CG2 C 13 18.054 0.300 . 1 . . . . 21 ILE CG2 . 11368 1
156 . 1 1 21 21 ILE N N 15 121.680 0.300 . 1 . . . . 21 ILE N . 11368 1
157 . 1 1 22 22 PHE H H 1 8.605 0.030 . 1 . . . . 22 PHE H . 11368 1
158 . 1 1 22 22 PHE HA H 1 4.545 0.030 . 1 . . . . 22 PHE HA . 11368 1
159 . 1 1 22 22 PHE HB2 H 1 3.241 0.030 . 2 . . . . 22 PHE HB2 . 11368 1
160 . 1 1 22 22 PHE HB3 H 1 2.624 0.030 . 2 . . . . 22 PHE HB3 . 11368 1
161 . 1 1 22 22 PHE HD1 H 1 7.128 0.030 . 1 . . . . 22 PHE HD1 . 11368 1
162 . 1 1 22 22 PHE HD2 H 1 7.128 0.030 . 1 . . . . 22 PHE HD2 . 11368 1
163 . 1 1 22 22 PHE HE1 H 1 6.768 0.030 . 1 . . . . 22 PHE HE1 . 11368 1
164 . 1 1 22 22 PHE HE2 H 1 6.768 0.030 . 1 . . . . 22 PHE HE2 . 11368 1
165 . 1 1 22 22 PHE HZ H 1 6.168 0.030 . 1 . . . . 22 PHE HZ . 11368 1
166 . 1 1 22 22 PHE C C 13 175.289 0.300 . 1 . . . . 22 PHE C . 11368 1
167 . 1 1 22 22 PHE CA C 13 56.669 0.300 . 1 . . . . 22 PHE CA . 11368 1
168 . 1 1 22 22 PHE CB C 13 43.154 0.300 . 1 . . . . 22 PHE CB . 11368 1
169 . 1 1 22 22 PHE CD1 C 13 132.070 0.300 . 1 . . . . 22 PHE CD1 . 11368 1
170 . 1 1 22 22 PHE CD2 C 13 132.070 0.300 . 1 . . . . 22 PHE CD2 . 11368 1
171 . 1 1 22 22 PHE CE1 C 13 130.584 0.300 . 1 . . . . 22 PHE CE1 . 11368 1
172 . 1 1 22 22 PHE CE2 C 13 130.584 0.300 . 1 . . . . 22 PHE CE2 . 11368 1
173 . 1 1 22 22 PHE CZ C 13 129.135 0.300 . 1 . . . . 22 PHE CZ . 11368 1
174 . 1 1 22 22 PHE N N 15 123.197 0.300 . 1 . . . . 22 PHE N . 11368 1
175 . 1 1 23 23 PHE H H 1 9.081 0.030 . 1 . . . . 23 PHE H . 11368 1
176 . 1 1 23 23 PHE HA H 1 4.922 0.030 . 1 . . . . 23 PHE HA . 11368 1
177 . 1 1 23 23 PHE HB2 H 1 3.496 0.030 . 2 . . . . 23 PHE HB2 . 11368 1
178 . 1 1 23 23 PHE HB3 H 1 3.032 0.030 . 2 . . . . 23 PHE HB3 . 11368 1
179 . 1 1 23 23 PHE HD1 H 1 7.353 0.030 . 1 . . . . 23 PHE HD1 . 11368 1
180 . 1 1 23 23 PHE HD2 H 1 7.353 0.030 . 1 . . . . 23 PHE HD2 . 11368 1
181 . 1 1 23 23 PHE HE1 H 1 7.287 0.030 . 1 . . . . 23 PHE HE1 . 11368 1
182 . 1 1 23 23 PHE HE2 H 1 7.287 0.030 . 1 . . . . 23 PHE HE2 . 11368 1
183 . 1 1 23 23 PHE C C 13 175.495 0.300 . 1 . . . . 23 PHE C . 11368 1
184 . 1 1 23 23 PHE CA C 13 58.987 0.300 . 1 . . . . 23 PHE CA . 11368 1
185 . 1 1 23 23 PHE CB C 13 39.405 0.300 . 1 . . . . 23 PHE CB . 11368 1
186 . 1 1 23 23 PHE CD1 C 13 131.537 0.300 . 1 . . . . 23 PHE CD1 . 11368 1
187 . 1 1 23 23 PHE CD2 C 13 131.537 0.300 . 1 . . . . 23 PHE CD2 . 11368 1
188 . 1 1 23 23 PHE CE1 C 13 129.898 0.300 . 1 . . . . 23 PHE CE1 . 11368 1
189 . 1 1 23 23 PHE CE2 C 13 129.898 0.300 . 1 . . . . 23 PHE CE2 . 11368 1
190 . 1 1 23 23 PHE N N 15 119.796 0.300 . 1 . . . . 23 PHE N . 11368 1
191 . 1 1 24 24 GLN H H 1 7.615 0.030 . 1 . . . . 24 GLN H . 11368 1
192 . 1 1 24 24 GLN HA H 1 4.849 0.030 . 1 . . . . 24 GLN HA . 11368 1
193 . 1 1 24 24 GLN HB2 H 1 2.311 0.030 . 2 . . . . 24 GLN HB2 . 11368 1
194 . 1 1 24 24 GLN HB3 H 1 2.165 0.030 . 2 . . . . 24 GLN HB3 . 11368 1
195 . 1 1 24 24 GLN HG2 H 1 2.517 0.030 . 1 . . . . 24 GLN HG2 . 11368 1
196 . 1 1 24 24 GLN HG3 H 1 2.517 0.030 . 1 . . . . 24 GLN HG3 . 11368 1
197 . 1 1 24 24 GLN C C 13 175.835 0.300 . 1 . . . . 24 GLN C . 11368 1
198 . 1 1 24 24 GLN CA C 13 54.439 0.300 . 1 . . . . 24 GLN CA . 11368 1
199 . 1 1 24 24 GLN CB C 13 31.504 0.300 . 1 . . . . 24 GLN CB . 11368 1
200 . 1 1 24 24 GLN CG C 13 33.865 0.300 . 1 . . . . 24 GLN CG . 11368 1
201 . 1 1 24 24 GLN N N 15 114.864 0.300 . 1 . . . . 24 GLN N . 11368 1
202 . 1 1 25 25 TYR HA H 1 3.468 0.030 . 1 . . . . 25 TYR HA . 11368 1
203 . 1 1 25 25 TYR HB2 H 1 2.789 0.030 . 2 . . . . 25 TYR HB2 . 11368 1
204 . 1 1 25 25 TYR HB3 H 1 2.697 0.030 . 2 . . . . 25 TYR HB3 . 11368 1
205 . 1 1 25 25 TYR HD1 H 1 6.817 0.030 . 1 . . . . 25 TYR HD1 . 11368 1
206 . 1 1 25 25 TYR HD2 H 1 6.817 0.030 . 1 . . . . 25 TYR HD2 . 11368 1
207 . 1 1 25 25 TYR HE1 H 1 6.785 0.030 . 1 . . . . 25 TYR HE1 . 11368 1
208 . 1 1 25 25 TYR HE2 H 1 6.785 0.030 . 1 . . . . 25 TYR HE2 . 11368 1
209 . 1 1 25 25 TYR C C 13 177.531 0.300 . 1 . . . . 25 TYR C . 11368 1
210 . 1 1 25 25 TYR CA C 13 61.804 0.300 . 1 . . . . 25 TYR CA . 11368 1
211 . 1 1 25 25 TYR CB C 13 38.191 0.300 . 1 . . . . 25 TYR CB . 11368 1
212 . 1 1 25 25 TYR CD1 C 13 132.687 0.300 . 1 . . . . 25 TYR CD1 . 11368 1
213 . 1 1 25 25 TYR CD2 C 13 132.687 0.300 . 1 . . . . 25 TYR CD2 . 11368 1
214 . 1 1 25 25 TYR CE1 C 13 118.313 0.300 . 1 . . . . 25 TYR CE1 . 11368 1
215 . 1 1 25 25 TYR CE2 C 13 118.313 0.300 . 1 . . . . 25 TYR CE2 . 11368 1
216 . 1 1 26 26 VAL H H 1 8.517 0.030 . 1 . . . . 26 VAL H . 11368 1
217 . 1 1 26 26 VAL HA H 1 3.628 0.030 . 1 . . . . 26 VAL HA . 11368 1
218 . 1 1 26 26 VAL HB H 1 2.119 0.030 . 1 . . . . 26 VAL HB . 11368 1
219 . 1 1 26 26 VAL HG11 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1
220 . 1 1 26 26 VAL HG12 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1
221 . 1 1 26 26 VAL HG13 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1
222 . 1 1 26 26 VAL HG21 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1
223 . 1 1 26 26 VAL HG22 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1
224 . 1 1 26 26 VAL HG23 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1
225 . 1 1 26 26 VAL C C 13 177.024 0.300 . 1 . . . . 26 VAL C . 11368 1
226 . 1 1 26 26 VAL CA C 13 65.345 0.300 . 1 . . . . 26 VAL CA . 11368 1
227 . 1 1 26 26 VAL CB C 13 31.122 0.300 . 1 . . . . 26 VAL CB . 11368 1
228 . 1 1 26 26 VAL CG1 C 13 21.196 0.300 . 2 . . . . 26 VAL CG1 . 11368 1
229 . 1 1 26 26 VAL CG2 C 13 20.775 0.300 . 2 . . . . 26 VAL CG2 . 11368 1
230 . 1 1 26 26 VAL N N 15 114.414 0.300 . 1 . . . . 26 VAL N . 11368 1
231 . 1 1 27 27 SER H H 1 6.771 0.030 . 1 . . . . 27 SER H . 11368 1
232 . 1 1 27 27 SER HA H 1 4.225 0.030 . 1 . . . . 27 SER HA . 11368 1
233 . 1 1 27 27 SER HB2 H 1 4.073 0.030 . 1 . . . . 27 SER HB2 . 11368 1
234 . 1 1 27 27 SER HB3 H 1 4.073 0.030 . 1 . . . . 27 SER HB3 . 11368 1
235 . 1 1 27 27 SER C C 13 176.212 0.300 . 1 . . . . 27 SER C . 11368 1
236 . 1 1 27 27 SER CA C 13 60.997 0.300 . 1 . . . . 27 SER CA . 11368 1
237 . 1 1 27 27 SER CB C 13 62.464 0.300 . 1 . . . . 27 SER CB . 11368 1
238 . 1 1 27 27 SER N N 15 115.108 0.300 . 1 . . . . 27 SER N . 11368 1
239 . 1 1 28 28 LEU H H 1 6.986 0.030 . 1 . . . . 28 LEU H . 11368 1
240 . 1 1 28 28 LEU HA H 1 3.090 0.030 . 1 . . . . 28 LEU HA . 11368 1
241 . 1 1 28 28 LEU HB2 H 1 1.917 0.030 . 2 . . . . 28 LEU HB2 . 11368 1
242 . 1 1 28 28 LEU HB3 H 1 1.080 0.030 . 2 . . . . 28 LEU HB3 . 11368 1
243 . 1 1 28 28 LEU HD11 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1
244 . 1 1 28 28 LEU HD12 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1
245 . 1 1 28 28 LEU HD13 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1
246 . 1 1 28 28 LEU HD21 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1
247 . 1 1 28 28 LEU HD22 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1
248 . 1 1 28 28 LEU HD23 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1
249 . 1 1 28 28 LEU HG H 1 1.325 0.030 . 1 . . . . 28 LEU HG . 11368 1
250 . 1 1 28 28 LEU C C 13 177.726 0.300 . 1 . . . . 28 LEU C . 11368 1
251 . 1 1 28 28 LEU CA C 13 57.786 0.300 . 1 . . . . 28 LEU CA . 11368 1
252 . 1 1 28 28 LEU CB C 13 40.113 0.300 . 1 . . . . 28 LEU CB . 11368 1
253 . 1 1 28 28 LEU CD1 C 13 26.321 0.300 . 2 . . . . 28 LEU CD1 . 11368 1
254 . 1 1 28 28 LEU CD2 C 13 22.945 0.300 . 2 . . . . 28 LEU CD2 . 11368 1
255 . 1 1 28 28 LEU CG C 13 27.430 0.300 . 1 . . . . 28 LEU CG . 11368 1
256 . 1 1 28 28 LEU N N 15 123.906 0.300 . 1 . . . . 28 LEU N . 11368 1
257 . 1 1 29 29 ILE H H 1 7.446 0.030 . 1 . . . . 29 ILE H . 11368 1
258 . 1 1 29 29 ILE HA H 1 3.618 0.030 . 1 . . . . 29 ILE HA . 11368 1
259 . 1 1 29 29 ILE HB H 1 1.854 0.030 . 1 . . . . 29 ILE HB . 11368 1
260 . 1 1 29 29 ILE HD11 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1
261 . 1 1 29 29 ILE HD12 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1
262 . 1 1 29 29 ILE HD13 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1
263 . 1 1 29 29 ILE HG12 H 1 1.031 0.030 . 2 . . . . 29 ILE HG12 . 11368 1
264 . 1 1 29 29 ILE HG13 H 1 0.863 0.030 . 2 . . . . 29 ILE HG13 . 11368 1
265 . 1 1 29 29 ILE HG21 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1
266 . 1 1 29 29 ILE HG22 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1
267 . 1 1 29 29 ILE HG23 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1
268 . 1 1 29 29 ILE C C 13 179.601 0.300 . 1 . . . . 29 ILE C . 11368 1
269 . 1 1 29 29 ILE CA C 13 63.344 0.300 . 1 . . . . 29 ILE CA . 11368 1
270 . 1 1 29 29 ILE CB C 13 36.011 0.300 . 1 . . . . 29 ILE CB . 11368 1
271 . 1 1 29 29 ILE CD1 C 13 10.199 0.300 . 1 . . . . 29 ILE CD1 . 11368 1
272 . 1 1 29 29 ILE CG1 C 13 26.951 0.300 . 1 . . . . 29 ILE CG1 . 11368 1
273 . 1 1 29 29 ILE CG2 C 13 17.369 0.300 . 1 . . . . 29 ILE CG2 . 11368 1
274 . 1 1 29 29 ILE N N 15 118.770 0.300 . 1 . . . . 29 ILE N . 11368 1
275 . 1 1 30 30 GLU H H 1 7.827 0.030 . 1 . . . . 30 GLU H . 11368 1
276 . 1 1 30 30 GLU HA H 1 3.950 0.030 . 1 . . . . 30 GLU HA . 11368 1
277 . 1 1 30 30 GLU HB2 H 1 1.966 0.030 . 1 . . . . 30 GLU HB2 . 11368 1
278 . 1 1 30 30 GLU HB3 H 1 1.966 0.030 . 1 . . . . 30 GLU HB3 . 11368 1
279 . 1 1 30 30 GLU HG2 H 1 2.440 0.030 . 2 . . . . 30 GLU HG2 . 11368 1
280 . 1 1 30 30 GLU HG3 H 1 2.194 0.030 . 2 . . . . 30 GLU HG3 . 11368 1
281 . 1 1 30 30 GLU C C 13 178.835 0.300 . 1 . . . . 30 GLU C . 11368 1
282 . 1 1 30 30 GLU CA C 13 59.106 0.300 . 1 . . . . 30 GLU CA . 11368 1
283 . 1 1 30 30 GLU CB C 13 29.732 0.300 . 1 . . . . 30 GLU CB . 11368 1
284 . 1 1 30 30 GLU CG C 13 36.526 0.300 . 1 . . . . 30 GLU CG . 11368 1
285 . 1 1 30 30 GLU N N 15 119.092 0.300 . 1 . . . . 30 GLU N . 11368 1
286 . 1 1 31 31 HIS H H 1 7.392 0.030 . 1 . . . . 31 HIS H . 11368 1
287 . 1 1 31 31 HIS HA H 1 4.207 0.030 . 1 . . . . 31 HIS HA . 11368 1
288 . 1 1 31 31 HIS HB2 H 1 3.138 0.030 . 2 . . . . 31 HIS HB2 . 11368 1
289 . 1 1 31 31 HIS HB3 H 1 2.827 0.030 . 2 . . . . 31 HIS HB3 . 11368 1
290 . 1 1 31 31 HIS HD2 H 1 6.919 0.030 . 1 . . . . 31 HIS HD2 . 11368 1
291 . 1 1 31 31 HIS HE1 H 1 8.004 0.030 . 1 . . . . 31 HIS HE1 . 11368 1
292 . 1 1 31 31 HIS C C 13 176.340 0.300 . 1 . . . . 31 HIS C . 11368 1
293 . 1 1 31 31 HIS CA C 13 58.742 0.300 . 1 . . . . 31 HIS CA . 11368 1
294 . 1 1 31 31 HIS CB C 13 28.551 0.300 . 1 . . . . 31 HIS CB . 11368 1
295 . 1 1 31 31 HIS CD2 C 13 127.017 0.300 . 1 . . . . 31 HIS CD2 . 11368 1
296 . 1 1 31 31 HIS CE1 C 13 139.705 0.300 . 1 . . . . 31 HIS CE1 . 11368 1
297 . 1 1 31 31 HIS N N 15 118.457 0.300 . 1 . . . . 31 HIS N . 11368 1
298 . 1 1 32 32 GLN H H 1 8.129 0.030 . 1 . . . . 32 GLN H . 11368 1
299 . 1 1 32 32 GLN HA H 1 3.716 0.030 . 1 . . . . 32 GLN HA . 11368 1
300 . 1 1 32 32 GLN HB2 H 1 2.297 0.030 . 2 . . . . 32 GLN HB2 . 11368 1
301 . 1 1 32 32 GLN HB3 H 1 2.201 0.030 . 2 . . . . 32 GLN HB3 . 11368 1
302 . 1 1 32 32 GLN HE21 H 1 7.384 0.030 . 2 . . . . 32 GLN HE21 . 11368 1
303 . 1 1 32 32 GLN HE22 H 1 6.970 0.030 . 2 . . . . 32 GLN HE22 . 11368 1
304 . 1 1 32 32 GLN HG2 H 1 2.807 0.030 . 1 . . . . 32 GLN HG2 . 11368 1
305 . 1 1 32 32 GLN HG3 H 1 2.807 0.030 . 1 . . . . 32 GLN HG3 . 11368 1
306 . 1 1 32 32 GLN C C 13 178.261 0.300 . 1 . . . . 32 GLN C . 11368 1
307 . 1 1 32 32 GLN CA C 13 59.284 0.300 . 1 . . . . 32 GLN CA . 11368 1
308 . 1 1 32 32 GLN CB C 13 28.147 0.300 . 1 . . . . 32 GLN CB . 11368 1
309 . 1 1 32 32 GLN CG C 13 35.099 0.300 . 1 . . . . 32 GLN CG . 11368 1
310 . 1 1 32 32 GLN N N 15 115.768 0.300 . 1 . . . . 32 GLN N . 11368 1
311 . 1 1 32 32 GLN NE2 N 15 111.203 0.300 . 1 . . . . 32 GLN NE2 . 11368 1
312 . 1 1 33 33 VAL H H 1 7.177 0.030 . 1 . . . . 33 VAL H . 11368 1
313 . 1 1 33 33 VAL HA H 1 3.823 0.030 . 1 . . . . 33 VAL HA . 11368 1
314 . 1 1 33 33 VAL HB H 1 2.138 0.030 . 1 . . . . 33 VAL HB . 11368 1
315 . 1 1 33 33 VAL HG11 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1
316 . 1 1 33 33 VAL HG12 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1
317 . 1 1 33 33 VAL HG13 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1
318 . 1 1 33 33 VAL HG21 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1
319 . 1 1 33 33 VAL HG22 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1
320 . 1 1 33 33 VAL HG23 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1
321 . 1 1 33 33 VAL C C 13 178.125 0.300 . 1 . . . . 33 VAL C . 11368 1
322 . 1 1 33 33 VAL CA C 13 65.138 0.300 . 1 . . . . 33 VAL CA . 11368 1
323 . 1 1 33 33 VAL CB C 13 31.733 0.300 . 1 . . . . 33 VAL CB . 11368 1
324 . 1 1 33 33 VAL CG1 C 13 21.526 0.300 . 2 . . . . 33 VAL CG1 . 11368 1
325 . 1 1 33 33 VAL CG2 C 13 21.018 0.300 . 2 . . . . 33 VAL CG2 . 11368 1
326 . 1 1 33 33 VAL N N 15 118.267 0.300 . 1 . . . . 33 VAL N . 11368 1
327 . 1 1 34 34 LEU H H 1 7.612 0.030 . 1 . . . . 34 LEU H . 11368 1
328 . 1 1 34 34 LEU HA H 1 4.002 0.030 . 1 . . . . 34 LEU HA . 11368 1
329 . 1 1 34 34 LEU HB2 H 1 1.300 0.030 . 2 . . . . 34 LEU HB2 . 11368 1
330 . 1 1 34 34 LEU HB3 H 1 1.152 0.030 . 2 . . . . 34 LEU HB3 . 11368 1
331 . 1 1 34 34 LEU HD11 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1
332 . 1 1 34 34 LEU HD12 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1
333 . 1 1 34 34 LEU HD13 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1
334 . 1 1 34 34 LEU HD21 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1
335 . 1 1 34 34 LEU HD22 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1
336 . 1 1 34 34 LEU HD23 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1
337 . 1 1 34 34 LEU HG H 1 1.562 0.030 . 1 . . . . 34 LEU HG . 11368 1
338 . 1 1 34 34 LEU C C 13 178.983 0.300 . 1 . . . . 34 LEU C . 11368 1
339 . 1 1 34 34 LEU CA C 13 56.844 0.300 . 1 . . . . 34 LEU CA . 11368 1
340 . 1 1 34 34 LEU CB C 13 41.220 0.300 . 1 . . . . 34 LEU CB . 11368 1
341 . 1 1 34 34 LEU CD1 C 13 24.825 0.300 . 2 . . . . 34 LEU CD1 . 11368 1
342 . 1 1 34 34 LEU CD2 C 13 23.295 0.300 . 2 . . . . 34 LEU CD2 . 11368 1
343 . 1 1 34 34 LEU CG C 13 26.912 0.300 . 1 . . . . 34 LEU CG . 11368 1
344 . 1 1 34 34 LEU N N 15 119.735 0.300 . 1 . . . . 34 LEU N . 11368 1
345 . 1 1 35 35 HIS H H 1 7.195 0.030 . 1 . . . . 35 HIS H . 11368 1
346 . 1 1 35 35 HIS HA H 1 4.838 0.030 . 1 . . . . 35 HIS HA . 11368 1
347 . 1 1 35 35 HIS HB2 H 1 3.377 0.030 . 2 . . . . 35 HIS HB2 . 11368 1
348 . 1 1 35 35 HIS HB3 H 1 3.135 0.030 . 2 . . . . 35 HIS HB3 . 11368 1
349 . 1 1 35 35 HIS HD2 H 1 6.726 0.030 . 1 . . . . 35 HIS HD2 . 11368 1
350 . 1 1 35 35 HIS HE1 H 1 8.065 0.030 . 1 . . . . 35 HIS HE1 . 11368 1
351 . 1 1 35 35 HIS C C 13 175.680 0.300 . 1 . . . . 35 HIS C . 11368 1
352 . 1 1 35 35 HIS CA C 13 55.089 0.300 . 1 . . . . 35 HIS CA . 11368 1
353 . 1 1 35 35 HIS CB C 13 28.785 0.300 . 1 . . . . 35 HIS CB . 11368 1
354 . 1 1 35 35 HIS CD2 C 13 127.311 0.300 . 1 . . . . 35 HIS CD2 . 11368 1
355 . 1 1 35 35 HIS CE1 C 13 140.064 0.300 . 1 . . . . 35 HIS CE1 . 11368 1
356 . 1 1 35 35 HIS N N 15 114.138 0.300 . 1 . . . . 35 HIS N . 11368 1
357 . 1 1 36 36 MET H H 1 7.672 0.030 . 1 . . . . 36 MET H . 11368 1
358 . 1 1 36 36 MET HA H 1 4.454 0.030 . 1 . . . . 36 MET HA . 11368 1
359 . 1 1 36 36 MET HB2 H 1 2.209 0.030 . 2 . . . . 36 MET HB2 . 11368 1
360 . 1 1 36 36 MET HB3 H 1 2.132 0.030 . 2 . . . . 36 MET HB3 . 11368 1
361 . 1 1 36 36 MET HE1 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1
362 . 1 1 36 36 MET HE2 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1
363 . 1 1 36 36 MET HE3 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1
364 . 1 1 36 36 MET HG2 H 1 2.722 0.030 . 2 . . . . 36 MET HG2 . 11368 1
365 . 1 1 36 36 MET HG3 H 1 2.626 0.030 . 2 . . . . 36 MET HG3 . 11368 1
366 . 1 1 36 36 MET C C 13 177.060 0.300 . 1 . . . . 36 MET C . 11368 1
367 . 1 1 36 36 MET CA C 13 56.611 0.300 . 1 . . . . 36 MET CA . 11368 1
368 . 1 1 36 36 MET CB C 13 32.901 0.300 . 1 . . . . 36 MET CB . 11368 1
369 . 1 1 36 36 MET CE C 13 17.005 0.300 . 1 . . . . 36 MET CE . 11368 1
370 . 1 1 36 36 MET CG C 13 32.145 0.300 . 1 . . . . 36 MET CG . 11368 1
371 . 1 1 36 36 MET N N 15 119.074 0.300 . 1 . . . . 36 MET N . 11368 1
372 . 1 1 37 37 GLY H H 1 8.320 0.030 . 1 . . . . 37 GLY H . 11368 1
373 . 1 1 37 37 GLY HA2 H 1 3.991 0.030 . 1 . . . . 37 GLY HA2 . 11368 1
374 . 1 1 37 37 GLY HA3 H 1 3.991 0.030 . 1 . . . . 37 GLY HA3 . 11368 1
375 . 1 1 37 37 GLY C C 13 174.183 0.300 . 1 . . . . 37 GLY C . 11368 1
376 . 1 1 37 37 GLY CA C 13 45.627 0.300 . 1 . . . . 37 GLY CA . 11368 1
377 . 1 1 37 37 GLY N N 15 108.995 0.300 . 1 . . . . 37 GLY N . 11368 1
378 . 1 1 38 38 GLN H H 1 8.123 0.030 . 1 . . . . 38 GLN H . 11368 1
379 . 1 1 38 38 GLN HA H 1 4.341 0.030 . 1 . . . . 38 GLN HA . 11368 1
380 . 1 1 38 38 GLN HB2 H 1 2.153 0.030 . 2 . . . . 38 GLN HB2 . 11368 1
381 . 1 1 38 38 GLN HB3 H 1 2.041 0.030 . 2 . . . . 38 GLN HB3 . 11368 1
382 . 1 1 38 38 GLN HG2 H 1 2.400 0.030 . 1 . . . . 38 GLN HG2 . 11368 1
383 . 1 1 38 38 GLN HG3 H 1 2.400 0.030 . 1 . . . . 38 GLN HG3 . 11368 1
384 . 1 1 38 38 GLN C C 13 176.263 0.300 . 1 . . . . 38 GLN C . 11368 1
385 . 1 1 38 38 GLN CA C 13 55.937 0.300 . 1 . . . . 38 GLN CA . 11368 1
386 . 1 1 38 38 GLN CB C 13 29.468 0.300 . 1 . . . . 38 GLN CB . 11368 1
387 . 1 1 38 38 GLN CG C 13 33.864 0.300 . 1 . . . . 38 GLN CG . 11368 1
388 . 1 1 38 38 GLN N N 15 119.671 0.300 . 1 . . . . 38 GLN N . 11368 1
389 . 1 1 39 39 LYS H H 1 8.365 0.030 . 1 . . . . 39 LYS H . 11368 1
390 . 1 1 39 39 LYS HA H 1 4.352 0.030 . 1 . . . . 39 LYS HA . 11368 1
391 . 1 1 39 39 LYS HB2 H 1 1.871 0.030 . 2 . . . . 39 LYS HB2 . 11368 1
392 . 1 1 39 39 LYS HB3 H 1 1.811 0.030 . 2 . . . . 39 LYS HB3 . 11368 1
393 . 1 1 39 39 LYS HD2 H 1 1.706 0.030 . 1 . . . . 39 LYS HD2 . 11368 1
394 . 1 1 39 39 LYS HD3 H 1 1.706 0.030 . 1 . . . . 39 LYS HD3 . 11368 1
395 . 1 1 39 39 LYS HE2 H 1 3.024 0.030 . 1 . . . . 39 LYS HE2 . 11368 1
396 . 1 1 39 39 LYS HE3 H 1 3.024 0.030 . 1 . . . . 39 LYS HE3 . 11368 1
397 . 1 1 39 39 LYS HG2 H 1 1.482 0.030 . 2 . . . . 39 LYS HG2 . 11368 1
398 . 1 1 39 39 LYS HG3 H 1 1.436 0.030 . 2 . . . . 39 LYS HG3 . 11368 1
399 . 1 1 39 39 LYS C C 13 176.434 0.300 . 1 . . . . 39 LYS C . 11368 1
400 . 1 1 39 39 LYS CA C 13 56.475 0.300 . 1 . . . . 39 LYS CA . 11368 1
401 . 1 1 39 39 LYS CB C 13 32.975 0.300 . 1 . . . . 39 LYS CB . 11368 1
402 . 1 1 39 39 LYS CD C 13 29.054 0.300 . 1 . . . . 39 LYS CD . 11368 1
403 . 1 1 39 39 LYS CE C 13 42.221 0.300 . 1 . . . . 39 LYS CE . 11368 1
404 . 1 1 39 39 LYS CG C 13 24.706 0.300 . 1 . . . . 39 LYS CG . 11368 1
405 . 1 1 39 39 LYS N N 15 122.168 0.300 . 1 . . . . 39 LYS N . 11368 1
406 . 1 1 40 40 ASN H H 1 8.486 0.030 . 1 . . . . 40 ASN H . 11368 1
407 . 1 1 40 40 ASN HA H 1 4.810 0.030 . 1 . . . . 40 ASN HA . 11368 1
408 . 1 1 40 40 ASN HB2 H 1 2.892 0.030 . 2 . . . . 40 ASN HB2 . 11368 1
409 . 1 1 40 40 ASN HB3 H 1 2.805 0.030 . 2 . . . . 40 ASN HB3 . 11368 1
410 . 1 1 40 40 ASN C C 13 175.113 0.300 . 1 . . . . 40 ASN C . 11368 1
411 . 1 1 40 40 ASN CA C 13 53.368 0.300 . 1 . . . . 40 ASN CA . 11368 1
412 . 1 1 40 40 ASN CB C 13 39.061 0.300 . 1 . . . . 40 ASN CB . 11368 1
413 . 1 1 40 40 ASN N N 15 119.880 0.300 . 1 . . . . 40 ASN N . 11368 1
414 . 1 1 41 41 SER H H 1 8.320 0.030 . 1 . . . . 41 SER H . 11368 1
415 . 1 1 41 41 SER HA H 1 4.525 0.030 . 1 . . . . 41 SER HA . 11368 1
416 . 1 1 41 41 SER C C 13 174.468 0.300 . 1 . . . . 41 SER C . 11368 1
417 . 1 1 41 41 SER CA C 13 58.355 0.300 . 1 . . . . 41 SER CA . 11368 1
418 . 1 1 41 41 SER CB C 13 64.149 0.300 . 1 . . . . 41 SER CB . 11368 1
419 . 1 1 41 41 SER N N 15 116.307 0.300 . 1 . . . . 41 SER N . 11368 1
420 . 1 1 42 42 GLY H H 1 8.283 0.030 . 1 . . . . 42 GLY H . 11368 1
421 . 1 1 42 42 GLY C C 13 174.409 0.300 . 1 . . . . 42 GLY C . 11368 1
422 . 1 1 42 42 GLY CA C 13 44.682 0.300 . 1 . . . . 42 GLY CA . 11368 1
423 . 1 1 42 42 GLY N N 15 110.723 0.300 . 1 . . . . 42 GLY N . 11368 1
424 . 1 1 43 43 PRO HA H 1 4.515 0.030 . 1 . . . . 43 PRO HA . 11368 1
425 . 1 1 43 43 PRO HB2 H 1 2.322 0.030 . 2 . . . . 43 PRO HB2 . 11368 1
426 . 1 1 43 43 PRO HB3 H 1 2.004 0.030 . 2 . . . . 43 PRO HB3 . 11368 1
427 . 1 1 43 43 PRO HD2 H 1 3.663 0.030 . 1 . . . . 43 PRO HD2 . 11368 1
428 . 1 1 43 43 PRO HD3 H 1 3.663 0.030 . 1 . . . . 43 PRO HD3 . 11368 1
429 . 1 1 43 43 PRO HG2 H 1 2.051 0.030 . 1 . . . . 43 PRO HG2 . 11368 1
430 . 1 1 43 43 PRO HG3 H 1 2.051 0.030 . 1 . . . . 43 PRO HG3 . 11368 1
431 . 1 1 43 43 PRO C C 13 177.478 0.300 . 1 . . . . 43 PRO C . 11368 1
432 . 1 1 43 43 PRO CA C 13 63.329 0.300 . 1 . . . . 43 PRO CA . 11368 1
433 . 1 1 43 43 PRO CB C 13 32.229 0.300 . 1 . . . . 43 PRO CB . 11368 1
434 . 1 1 43 43 PRO CD C 13 49.843 0.300 . 1 . . . . 43 PRO CD . 11368 1
435 . 1 1 43 43 PRO CG C 13 27.180 0.300 . 1 . . . . 43 PRO CG . 11368 1
436 . 1 1 44 44 SER H H 1 8.519 0.030 . 1 . . . . 44 SER H . 11368 1
437 . 1 1 44 44 SER HA H 1 4.554 0.030 . 1 . . . . 44 SER HA . 11368 1
438 . 1 1 44 44 SER HB2 H 1 3.342 0.030 . 2 . . . . 44 SER HB2 . 11368 1
439 . 1 1 44 44 SER C C 13 174.603 0.300 . 1 . . . . 44 SER C . 11368 1
440 . 1 1 44 44 SER CA C 13 58.425 0.300 . 1 . . . . 44 SER CA . 11368 1
441 . 1 1 44 44 SER CB C 13 63.974 0.300 . 1 . . . . 44 SER CB . 11368 1
442 . 1 1 44 44 SER N N 15 116.379 0.300 . 1 . . . . 44 SER N . 11368 1
443 . 1 1 45 45 SER H H 1 8.326 0.030 . 1 . . . . 45 SER H . 11368 1
444 . 1 1 45 45 SER HA H 1 4.511 0.030 . 1 . . . . 45 SER HA . 11368 1
445 . 1 1 45 45 SER HB2 H 1 3.322 0.030 . 2 . . . . 45 SER HB2 . 11368 1
446 . 1 1 45 45 SER C C 13 173.838 0.300 . 1 . . . . 45 SER C . 11368 1
447 . 1 1 45 45 SER CA C 13 58.390 0.300 . 1 . . . . 45 SER CA . 11368 1
448 . 1 1 45 45 SER CB C 13 64.185 0.300 . 1 . . . . 45 SER CB . 11368 1
449 . 1 1 45 45 SER N N 15 117.827 0.300 . 1 . . . . 45 SER N . 11368 1
450 . 1 1 46 46 GLY H H 1 8.049 0.030 . 1 . . . . 46 GLY H . 11368 1
451 . 1 1 46 46 GLY C C 13 178.531 0.300 . 1 . . . . 46 GLY C . 11368 1
452 . 1 1 46 46 GLY CA C 13 46.228 0.300 . 1 . . . . 46 GLY CA . 11368 1
453 . 1 1 46 46 GLY N N 15 116.871 0.300 . 1 . . . . 46 GLY N . 11368 1
stop_
save_