Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30030
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_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
3 '3D HNCA' . . . 30030 1
5 '3D HNCO' . . . 30030 1
7 '3D HNCACB' . . . 30030 1
9 '3D C(CO)NH' . . . 30030 1
11 '3D HCCH-TOCSY' . . . 30030 1
16 '2D 1H-13C HSQC aromatic' . . . 30030 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 30030 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET N N 15 119.773 0.000 . 1 . . . 1 A 11 MET N . 30030 1
2 . 1 1 1 1 MET H H 1 7.970 0.000 . 1 . . . 1 A 11 MET H . 30030 1
3 . 1 1 1 1 MET CA C 13 55.576 0.000 . 1 . . . 1 A 11 MET CA . 30030 1
4 . 1 1 1 1 MET HA H 1 4.395 0.000 . 1 . . . 1 A 11 MET HA . 30030 1
5 . 1 1 1 1 MET CB C 13 32.577 0.000 . 1 . . . 1 A 11 MET CB . 30030 1
6 . 1 1 1 1 MET HB2 H 1 2.046 0.000 . 2 . . . 1 A 11 MET HB2 . 30030 1
7 . 1 1 1 1 MET HB3 H 1 1.986 0.000 . 2 . . . 1 A 11 MET HB3 . 30030 1
8 . 1 1 1 1 MET CG C 13 32.121 0.000 . 1 . . . 1 A 11 MET CG . 30030 1
9 . 1 1 1 1 MET HG2 H 1 2.533 0.000 . 2 . . . 1 A 11 MET HG2 . 30030 1
10 . 1 1 1 1 MET HG3 H 1 2.455 0.000 . 2 . . . 1 A 11 MET HG3 . 30030 1
11 . 1 1 1 1 MET C C 13 176.187 0.000 . 1 . . . 1 A 11 MET C . 30030 1
12 . 1 1 2 2 LEU N N 15 122.117 0.000 . 1 . . . 1 A 12 LEU N . 30030 1
13 . 1 1 2 2 LEU H H 1 7.995 0.000 . 1 . . . 1 A 12 LEU H . 30030 1
14 . 1 1 2 2 LEU CA C 13 55.474 0.000 . 1 . . . 1 A 12 LEU CA . 30030 1
15 . 1 1 2 2 LEU HA H 1 4.286 0.000 . 1 . . . 1 A 12 LEU HA . 30030 1
16 . 1 1 2 2 LEU CB C 13 42.474 0.000 . 1 . . . 1 A 12 LEU CB . 30030 1
17 . 1 1 2 2 LEU HB2 H 1 1.639 0.000 . 2 . . . 1 A 12 LEU HB2 . 30030 1
18 . 1 1 2 2 LEU HB3 H 1 1.535 0.000 . 2 . . . 1 A 12 LEU HB3 . 30030 1
19 . 1 1 2 2 LEU HG H 1 1.613 0.000 . 1 . . . 1 A 12 LEU HG . 30030 1
20 . 1 1 2 2 LEU HD11 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD11 . 30030 1
21 . 1 1 2 2 LEU HD12 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD12 . 30030 1
22 . 1 1 2 2 LEU HD13 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD13 . 30030 1
23 . 1 1 2 2 LEU HD21 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD21 . 30030 1
24 . 1 1 2 2 LEU HD22 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD22 . 30030 1
25 . 1 1 2 2 LEU HD23 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD23 . 30030 1
26 . 1 1 2 2 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 12 LEU CD1 . 30030 1
27 . 1 1 2 2 LEU CD2 C 13 23.333 0.000 . 2 . . . 1 A 12 LEU CD2 . 30030 1
28 . 1 1 2 2 LEU C C 13 177.072 0.000 . 1 . . . 1 A 12 LEU C . 30030 1
29 . 1 1 3 3 ASP N N 15 120.380 0.000 . 1 . . . 1 A 13 ASP N . 30030 1
30 . 1 1 3 3 ASP H H 1 8.267 0.000 . 1 . . . 1 A 13 ASP H . 30030 1
31 . 1 1 3 3 ASP CA C 13 54.552 0.000 . 1 . . . 1 A 13 ASP CA . 30030 1
32 . 1 1 3 3 ASP HA H 1 4.630 0.000 . 1 . . . 1 A 13 ASP HA . 30030 1
33 . 1 1 3 3 ASP CB C 13 41.130 0.000 . 1 . . . 1 A 13 ASP CB . 30030 1
34 . 1 1 3 3 ASP HB2 H 1 2.733 0.000 . 2 . . . 1 A 13 ASP HB2 . 30030 1
35 . 1 1 3 3 ASP HB3 H 1 2.614 0.000 . 2 . . . 1 A 13 ASP HB3 . 30030 1
36 . 1 1 3 3 ASP C C 13 176.149 0.000 . 1 . . . 1 A 13 ASP C . 30030 1
37 . 1 1 4 4 VAL N N 15 117.840 0.000 . 1 . . . 1 A 14 VAL N . 30030 1
38 . 1 1 4 4 VAL H H 1 7.881 0.000 . 1 . . . 1 A 14 VAL H . 30030 1
39 . 1 1 4 4 VAL CA C 13 61.977 0.000 . 1 . . . 1 A 14 VAL CA . 30030 1
40 . 1 1 4 4 VAL HA H 1 4.233 0.000 . 1 . . . 1 A 14 VAL HA . 30030 1
41 . 1 1 4 4 VAL CB C 13 33.046 0.000 . 1 . . . 1 A 14 VAL CB . 30030 1
42 . 1 1 4 4 VAL HB H 1 2.169 0.000 . 1 . . . 1 A 14 VAL HB . 30030 1
43 . 1 1 4 4 VAL HG11 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG11 . 30030 1
44 . 1 1 4 4 VAL HG12 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG12 . 30030 1
45 . 1 1 4 4 VAL HG13 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG13 . 30030 1
46 . 1 1 4 4 VAL HG21 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG21 . 30030 1
47 . 1 1 4 4 VAL HG22 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG22 . 30030 1
48 . 1 1 4 4 VAL HG23 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG23 . 30030 1
49 . 1 1 4 4 VAL CG1 C 13 21.331 0.000 . 2 . . . 1 A 14 VAL CG1 . 30030 1
50 . 1 1 4 4 VAL CG2 C 13 20.053 0.000 . 2 . . . 1 A 14 VAL CG2 . 30030 1
51 . 1 1 4 4 VAL C C 13 176.128 0.000 . 1 . . . 1 A 14 VAL C . 30030 1
52 . 1 1 5 5 GLY N N 15 109.871 0.000 . 1 . . . 1 A 15 GLY N . 30030 1
53 . 1 1 5 5 GLY H H 1 8.212 0.000 . 1 . . . 1 A 15 GLY H . 30030 1
54 . 1 1 5 5 GLY CA C 13 44.873 0.000 . 1 . . . 1 A 15 GLY CA . 30030 1
55 . 1 1 5 5 GLY HA2 H 1 3.478 0.000 . 2 . . . 1 A 15 GLY HA2 . 30030 1
56 . 1 1 5 5 GLY HA3 H 1 3.822 0.000 . 2 . . . 1 A 15 GLY HA3 . 30030 1
57 . 1 1 5 5 GLY C C 13 172.973 0.000 . 1 . . . 1 A 15 GLY C . 30030 1
58 . 1 1 6 6 LYS N N 15 118.074 0.000 . 1 . . . 1 A 16 LYS N . 30030 1
59 . 1 1 6 6 LYS H H 1 7.830 0.000 . 1 . . . 1 A 16 LYS H . 30030 1
60 . 1 1 6 6 LYS CA C 13 54.426 0.000 . 1 . . . 1 A 16 LYS CA . 30030 1
61 . 1 1 6 6 LYS HA H 1 4.466 0.000 . 1 . . . 1 A 16 LYS HA . 30030 1
62 . 1 1 6 6 LYS CB C 13 35.858 0.000 . 1 . . . 1 A 16 LYS CB . 30030 1
63 . 1 1 6 6 LYS HB2 H 1 1.652 0.000 . 2 . . . 1 A 16 LYS HB2 . 30030 1
64 . 1 1 6 6 LYS HB3 H 1 1.342 0.000 . 2 . . . 1 A 16 LYS HB3 . 30030 1
65 . 1 1 6 6 LYS CG C 13 25.033 0.000 . 1 . . . 1 A 16 LYS CG . 30030 1
66 . 1 1 6 6 LYS HG2 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG2 . 30030 1
67 . 1 1 6 6 LYS HG3 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG3 . 30030 1
68 . 1 1 6 6 LYS CD C 13 28.930 0.000 . 1 . . . 1 A 16 LYS CD . 30030 1
69 . 1 1 6 6 LYS HD2 H 1 1.637 0.000 . 2 . . . 1 A 16 LYS HD2 . 30030 1
70 . 1 1 6 6 LYS HD3 H 1 1.509 0.000 . 2 . . . 1 A 16 LYS HD3 . 30030 1
71 . 1 1 6 6 LYS CE C 13 42.249 0.000 . 1 . . . 1 A 16 LYS CE . 30030 1
72 . 1 1 6 6 LYS HE2 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE2 . 30030 1
73 . 1 1 6 6 LYS HE3 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE3 . 30030 1
74 . 1 1 6 6 LYS C C 13 175.302 0.000 . 1 . . . 1 A 16 LYS C . 30030 1
75 . 1 1 7 7 HIS N N 15 120.052 0.000 . 1 . . . 1 A 17 HIS N . 30030 1
76 . 1 1 7 7 HIS H H 1 8.473 0.000 . 1 . . . 1 A 17 HIS H . 30030 1
77 . 1 1 7 7 HIS CA C 13 56.523 0.000 . 1 . . . 1 A 17 HIS CA . 30030 1
78 . 1 1 7 7 HIS HA H 1 4.392 0.000 . 1 . . . 1 A 17 HIS HA . 30030 1
79 . 1 1 7 7 HIS CB C 13 30.295 0.000 . 1 . . . 1 A 17 HIS CB . 30030 1
80 . 1 1 7 7 HIS HB2 H 1 2.746 0.000 . 2 . . . 1 A 17 HIS HB2 . 30030 1
81 . 1 1 7 7 HIS HB3 H 1 2.533 0.000 . 2 . . . 1 A 17 HIS HB3 . 30030 1
82 . 1 1 7 7 HIS HD2 H 1 7.007 0.000 . 1 . . . 1 A 17 HIS HD2 . 30030 1
83 . 1 1 7 7 HIS C C 13 174.302 0.000 . 1 . . . 1 A 17 HIS C . 30030 1
84 . 1 1 8 8 CYS N N 15 124.988 0.000 . 1 . . . 1 A 18 CYS N . 30030 1
85 . 1 1 8 8 CYS H H 1 8.638 0.000 . 1 . . . 1 A 18 CYS H . 30030 1
86 . 1 1 8 8 CYS CA C 13 59.126 0.000 . 1 . . . 1 A 18 CYS CA . 30030 1
87 . 1 1 8 8 CYS HA H 1 4.121 0.000 . 1 . . . 1 A 18 CYS HA . 30030 1
88 . 1 1 8 8 CYS CB C 13 32.273 0.000 . 1 . . . 1 A 18 CYS CB . 30030 1
89 . 1 1 8 8 CYS HB2 H 1 3.631 0.000 . 2 . . . 1 A 18 CYS HB2 . 30030 1
90 . 1 1 8 8 CYS HB3 H 1 3.151 0.000 . 2 . . . 1 A 18 CYS HB3 . 30030 1
91 . 1 1 8 8 CYS C C 13 177.561 0.000 . 1 . . . 1 A 18 CYS C . 30030 1
92 . 1 1 9 9 ALA N N 15 133.659 0.000 . 1 . . . 1 A 19 ALA N . 30030 1
93 . 1 1 9 9 ALA H H 1 9.189 0.000 . 1 . . . 1 A 19 ALA H . 30030 1
94 . 1 1 9 9 ALA CA C 13 54.931 0.000 . 1 . . . 1 A 19 ALA CA . 30030 1
95 . 1 1 9 9 ALA HA H 1 4.087 0.000 . 1 . . . 1 A 19 ALA HA . 30030 1
96 . 1 1 9 9 ALA HB1 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB1 . 30030 1
97 . 1 1 9 9 ALA HB2 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB2 . 30030 1
98 . 1 1 9 9 ALA HB3 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB3 . 30030 1
99 . 1 1 9 9 ALA CB C 13 18.194 0.000 . 1 . . . 1 A 19 ALA CB . 30030 1
100 . 1 1 9 9 ALA C C 13 177.381 0.000 . 1 . . . 1 A 19 ALA C . 30030 1
101 . 1 1 10 10 TYR N N 15 119.187 0.000 . 1 . . . 1 A 20 TYR N . 30030 1
102 . 1 1 10 10 TYR H H 1 9.153 0.000 . 1 . . . 1 A 20 TYR H . 30030 1
103 . 1 1 10 10 TYR CA C 13 60.851 0.000 . 1 . . . 1 A 20 TYR CA . 30030 1
104 . 1 1 10 10 TYR HA H 1 4.710 0.000 . 1 . . . 1 A 20 TYR HA . 30030 1
105 . 1 1 10 10 TYR CB C 13 40.907 0.000 . 1 . . . 1 A 20 TYR CB . 30030 1
106 . 1 1 10 10 TYR HB2 H 1 3.327 0.000 . 2 . . . 1 A 20 TYR HB2 . 30030 1
107 . 1 1 10 10 TYR HB3 H 1 2.849 0.000 . 2 . . . 1 A 20 TYR HB3 . 30030 1
108 . 1 1 10 10 TYR HD1 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD1 . 30030 1
109 . 1 1 10 10 TYR HD2 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD2 . 30030 1
110 . 1 1 10 10 TYR HE1 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE1 . 30030 1
111 . 1 1 10 10 TYR HE2 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE2 . 30030 1
112 . 1 1 10 10 TYR CD1 C 13 132.042 0.000 . 3 . . . 1 A 20 TYR CD1 . 30030 1
113 . 1 1 10 10 TYR CE1 C 13 118.164 0.000 . 3 . . . 1 A 20 TYR CE1 . 30030 1
114 . 1 1 10 10 TYR C C 13 176.117 0.000 . 1 . . . 1 A 20 TYR C . 30030 1
115 . 1 1 11 11 CYS N N 15 117.957 0.000 . 1 . . . 1 A 21 CYS N . 30030 1
116 . 1 1 11 11 CYS H H 1 8.574 0.000 . 1 . . . 1 A 21 CYS H . 30030 1
117 . 1 1 11 11 CYS CA C 13 58.635 0.000 . 1 . . . 1 A 21 CYS CA . 30030 1
118 . 1 1 11 11 CYS HA H 1 4.860 0.000 . 1 . . . 1 A 21 CYS HA . 30030 1
119 . 1 1 11 11 CYS CB C 13 33.807 0.000 . 1 . . . 1 A 21 CYS CB . 30030 1
120 . 1 1 11 11 CYS HB2 H 1 3.578 0.000 . 2 . . . 1 A 21 CYS HB2 . 30030 1
121 . 1 1 11 11 CYS HB3 H 1 2.680 0.000 . 2 . . . 1 A 21 CYS HB3 . 30030 1
122 . 1 1 11 11 CYS C C 13 175.977 0.000 . 1 . . . 1 A 21 CYS C . 30030 1
123 . 1 1 12 12 ARG N N 15 116.961 0.000 . 1 . . . 1 A 22 ARG N . 30030 1
124 . 1 1 12 12 ARG H H 1 8.256 0.000 . 1 . . . 1 A 22 ARG H . 30030 1
125 . 1 1 12 12 ARG CA C 13 58.326 0.000 . 1 . . . 1 A 22 ARG CA . 30030 1
126 . 1 1 12 12 ARG HA H 1 4.139 0.000 . 1 . . . 1 A 22 ARG HA . 30030 1
127 . 1 1 12 12 ARG CB C 13 26.949 0.000 . 1 . . . 1 A 22 ARG CB . 30030 1
128 . 1 1 12 12 ARG HB2 H 1 2.213 0.000 . 2 . . . 1 A 22 ARG HB2 . 30030 1
129 . 1 1 12 12 ARG HB3 H 1 2.084 0.000 . 2 . . . 1 A 22 ARG HB3 . 30030 1
130 . 1 1 12 12 ARG CG C 13 27.156 0.000 . 1 . . . 1 A 22 ARG CG . 30030 1
131 . 1 1 12 12 ARG HG2 H 1 1.538 0.000 . 2 . . . 1 A 22 ARG HG2 . 30030 1
132 . 1 1 12 12 ARG HG3 H 1 1.462 0.000 . 2 . . . 1 A 22 ARG HG3 . 30030 1
133 . 1 1 12 12 ARG CD C 13 42.402 0.000 . 1 . . . 1 A 22 ARG CD . 30030 1
134 . 1 1 12 12 ARG HD2 H 1 3.083 0.000 . 2 . . . 1 A 22 ARG HD2 . 30030 1
135 . 1 1 12 12 ARG HD3 H 1 3.062 0.000 . 2 . . . 1 A 22 ARG HD3 . 30030 1
136 . 1 1 12 12 ARG C C 13 175.139 0.000 . 1 . . . 1 A 22 ARG C . 30030 1
137 . 1 1 13 13 GLN N N 15 122.430 0.000 . 1 . . . 1 A 23 GLN N . 30030 1
138 . 1 1 13 13 GLN H H 1 8.695 0.000 . 1 . . . 1 A 23 GLN H . 30030 1
139 . 1 1 13 13 GLN CA C 13 56.952 0.000 . 1 . . . 1 A 23 GLN CA . 30030 1
140 . 1 1 13 13 GLN HA H 1 4.384 0.000 . 1 . . . 1 A 23 GLN HA . 30030 1
141 . 1 1 13 13 GLN CB C 13 30.114 0.000 . 1 . . . 1 A 23 GLN CB . 30030 1
142 . 1 1 13 13 GLN HB2 H 1 2.369 0.000 . 2 . . . 1 A 23 GLN HB2 . 30030 1
143 . 1 1 13 13 GLN HB3 H 1 2.059 0.000 . 2 . . . 1 A 23 GLN HB3 . 30030 1
144 . 1 1 13 13 GLN CG C 13 34.427 0.000 . 1 . . . 1 A 23 GLN CG . 30030 1
145 . 1 1 13 13 GLN HG2 H 1 2.546 0.000 . 2 . . . 1 A 23 GLN HG2 . 30030 1
146 . 1 1 13 13 GLN HG3 H 1 2.493 0.000 . 2 . . . 1 A 23 GLN HG3 . 30030 1
147 . 1 1 13 13 GLN NE2 N 15 113.839 0.000 . 1 . . . 1 A 23 GLN NE2 . 30030 1
148 . 1 1 13 13 GLN HE21 H 1 7.773 0.000 . 2 . . . 1 A 23 GLN HE21 . 30030 1
149 . 1 1 13 13 GLN HE22 H 1 6.946 0.000 . 2 . . . 1 A 23 GLN HE22 . 30030 1
150 . 1 1 13 13 GLN C C 13 176.047 0.000 . 1 . . . 1 A 23 GLN C . 30030 1
151 . 1 1 14 14 LEU N N 15 126.349 0.000 . 1 . . . 1 A 24 LEU N . 30030 1
152 . 1 1 14 14 LEU H H 1 8.599 0.000 . 1 . . . 1 A 24 LEU H . 30030 1
153 . 1 1 14 14 LEU CA C 13 55.380 0.000 . 1 . . . 1 A 24 LEU CA . 30030 1
154 . 1 1 14 14 LEU HA H 1 3.933 0.000 . 1 . . . 1 A 24 LEU HA . 30030 1
155 . 1 1 14 14 LEU CB C 13 42.560 0.000 . 1 . . . 1 A 24 LEU CB . 30030 1
156 . 1 1 14 14 LEU HB2 H 1 1.436 0.000 . 2 . . . 1 A 24 LEU HB2 . 30030 1
157 . 1 1 14 14 LEU HB3 H 1 1.103 0.000 . 2 . . . 1 A 24 LEU HB3 . 30030 1
158 . 1 1 14 14 LEU CG C 13 26.691 0.000 . 1 . . . 1 A 24 LEU CG . 30030 1
159 . 1 1 14 14 LEU HG H 1 0.881 0.000 . 1 . . . 1 A 24 LEU HG . 30030 1
160 . 1 1 14 14 LEU HD11 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD11 . 30030 1
161 . 1 1 14 14 LEU HD12 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD12 . 30030 1
162 . 1 1 14 14 LEU HD13 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD13 . 30030 1
163 . 1 1 14 14 LEU HD21 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD21 . 30030 1
164 . 1 1 14 14 LEU HD22 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD22 . 30030 1
165 . 1 1 14 14 LEU HD23 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD23 . 30030 1
166 . 1 1 14 14 LEU CD1 C 13 24.994 0.000 . 2 . . . 1 A 24 LEU CD1 . 30030 1
167 . 1 1 14 14 LEU CD2 C 13 22.710 0.000 . 2 . . . 1 A 24 LEU CD2 . 30030 1
168 . 1 1 14 14 LEU C C 13 175.913 0.000 . 1 . . . 1 A 24 LEU C . 30030 1
169 . 1 1 15 15 ASP N N 15 127.166 0.000 . 1 . . . 1 A 25 ASP N . 30030 1
170 . 1 1 15 15 ASP H H 1 8.419 0.000 . 1 . . . 1 A 25 ASP H . 30030 1
171 . 1 1 15 15 ASP CA C 13 53.303 0.000 . 1 . . . 1 A 25 ASP CA . 30030 1
172 . 1 1 15 15 ASP HA H 1 4.676 0.000 . 1 . . . 1 A 25 ASP HA . 30030 1
173 . 1 1 15 15 ASP CB C 13 44.747 0.000 . 1 . . . 1 A 25 ASP CB . 30030 1
174 . 1 1 15 15 ASP HB2 H 1 2.507 0.000 . 2 . . . 1 A 25 ASP HB2 . 30030 1
175 . 1 1 15 15 ASP HB3 H 1 2.238 0.000 . 2 . . . 1 A 25 ASP HB3 . 30030 1
176 . 1 1 15 15 ASP C C 13 175.193 0.000 . 1 . . . 1 A 25 ASP C . 30030 1
177 . 1 1 16 16 PHE N N 15 123.189 0.000 . 1 . . . 1 A 26 PHE N . 30030 1
178 . 1 1 16 16 PHE H H 1 8.429 0.000 . 1 . . . 1 A 26 PHE H . 30030 1
179 . 1 1 16 16 PHE CA C 13 59.308 0.000 . 1 . . . 1 A 26 PHE CA . 30030 1
180 . 1 1 16 16 PHE HA H 1 4.411 0.000 . 1 . . . 1 A 26 PHE HA . 30030 1
181 . 1 1 16 16 PHE CB C 13 39.065 0.000 . 1 . . . 1 A 26 PHE CB . 30030 1
182 . 1 1 16 16 PHE HB2 H 1 3.262 0.000 . 2 . . . 1 A 26 PHE HB2 . 30030 1
183 . 1 1 16 16 PHE HB3 H 1 2.869 0.000 . 2 . . . 1 A 26 PHE HB3 . 30030 1
184 . 1 1 16 16 PHE HD1 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD1 . 30030 1
185 . 1 1 16 16 PHE HD2 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD2 . 30030 1
186 . 1 1 16 16 PHE HE1 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE1 . 30030 1
187 . 1 1 16 16 PHE HE2 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE2 . 30030 1
188 . 1 1 16 16 PHE CD1 C 13 131.372 0.000 . 3 . . . 1 A 26 PHE CD1 . 30030 1
189 . 1 1 16 16 PHE CE1 C 13 131.347 0.000 . 3 . . . 1 A 26 PHE CE1 . 30030 1
190 . 1 1 16 16 PHE CZ C 13 129.760 0.000 . 1 . . . 1 A 26 PHE CZ . 30030 1
191 . 1 1 16 16 PHE HZ H 1 7.205 0.000 . 1 . . . 1 A 26 PHE HZ . 30030 1
192 . 1 1 16 16 PHE C C 13 175.318 0.000 . 1 . . . 1 A 26 PHE C . 30030 1
193 . 1 1 17 17 LEU N N 15 123.172 0.000 . 1 . . . 1 A 27 LEU N . 30030 1
194 . 1 1 17 17 LEU H H 1 8.921 0.000 . 1 . . . 1 A 27 LEU H . 30030 1
195 . 1 1 17 17 LEU CA C 13 52.335 0.000 . 1 . . . 1 A 27 LEU CA . 30030 1
196 . 1 1 17 17 LEU HA H 1 4.666 0.000 . 1 . . . 1 A 27 LEU HA . 30030 1
197 . 1 1 17 17 LEU CB C 13 42.418 0.000 . 1 . . . 1 A 27 LEU CB . 30030 1
198 . 1 1 17 17 LEU HB2 H 1 1.624 0.000 . 2 . . . 1 A 27 LEU HB2 . 30030 1
199 . 1 1 17 17 LEU HB3 H 1 1.453 0.000 . 2 . . . 1 A 27 LEU HB3 . 30030 1
200 . 1 1 17 17 LEU CG C 13 26.664 0.000 . 1 . . . 1 A 27 LEU CG . 30030 1
201 . 1 1 17 17 LEU HG H 1 1.438 0.000 . 1 . . . 1 A 27 LEU HG . 30030 1
202 . 1 1 17 17 LEU HD11 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD11 . 30030 1
203 . 1 1 17 17 LEU HD12 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD12 . 30030 1
204 . 1 1 17 17 LEU HD13 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD13 . 30030 1
205 . 1 1 17 17 LEU HD21 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD21 . 30030 1
206 . 1 1 17 17 LEU HD22 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD22 . 30030 1
207 . 1 1 17 17 LEU HD23 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD23 . 30030 1
208 . 1 1 17 17 LEU CD1 C 13 24.434 0.000 . 2 . . . 1 A 27 LEU CD1 . 30030 1
209 . 1 1 17 17 LEU CD2 C 13 24.490 0.000 . 2 . . . 1 A 27 LEU CD2 . 30030 1
210 . 1 1 17 17 LEU C C 13 172.997 0.000 . 1 . . . 1 A 27 LEU C . 30030 1
211 . 1 1 18 18 PRO CD C 13 49.770 0.000 . 1 . . . 1 A 28 PRO CD . 30030 1
212 . 1 1 18 18 PRO CA C 13 63.018 0.000 . 1 . . . 1 A 28 PRO CA . 30030 1
213 . 1 1 18 18 PRO HA H 1 4.409 0.000 . 1 . . . 1 A 28 PRO HA . 30030 1
214 . 1 1 18 18 PRO CB C 13 32.879 0.000 . 1 . . . 1 A 28 PRO CB . 30030 1
215 . 1 1 18 18 PRO HB2 H 1 1.865 0.000 . 2 . . . 1 A 28 PRO HB2 . 30030 1
216 . 1 1 18 18 PRO HB3 H 1 1.734 0.000 . 2 . . . 1 A 28 PRO HB3 . 30030 1
217 . 1 1 18 18 PRO CG C 13 26.952 0.000 . 1 . . . 1 A 28 PRO CG . 30030 1
218 . 1 1 18 18 PRO HG2 H 1 1.850 0.000 . 2 . . . 1 A 28 PRO HG2 . 30030 1
219 . 1 1 18 18 PRO HG3 H 1 1.717 0.000 . 2 . . . 1 A 28 PRO HG3 . 30030 1
220 . 1 1 18 18 PRO HD2 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD2 . 30030 1
221 . 1 1 18 18 PRO HD3 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD3 . 30030 1
222 . 1 1 18 18 PRO C C 13 176.128 0.000 . 1 . . . 1 A 28 PRO C . 30030 1
223 . 1 1 19 19 PHE N N 15 121.004 0.000 . 1 . . . 1 A 29 PHE N . 30030 1
224 . 1 1 19 19 PHE H H 1 9.415 0.000 . 1 . . . 1 A 29 PHE H . 30030 1
225 . 1 1 19 19 PHE CA C 13 57.344 0.000 . 1 . . . 1 A 29 PHE CA . 30030 1
226 . 1 1 19 19 PHE HA H 1 4.598 0.000 . 1 . . . 1 A 29 PHE HA . 30030 1
227 . 1 1 19 19 PHE CB C 13 41.485 0.000 . 1 . . . 1 A 29 PHE CB . 30030 1
228 . 1 1 19 19 PHE HB2 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB2 . 30030 1
229 . 1 1 19 19 PHE HB3 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB3 . 30030 1
230 . 1 1 19 19 PHE HD1 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD1 . 30030 1
231 . 1 1 19 19 PHE HD2 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD2 . 30030 1
232 . 1 1 19 19 PHE HE1 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE1 . 30030 1
233 . 1 1 19 19 PHE HE2 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE2 . 30030 1
234 . 1 1 19 19 PHE CD1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CD1 . 30030 1
235 . 1 1 19 19 PHE CE1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CE1 . 30030 1
236 . 1 1 19 19 PHE CZ C 13 130.072 0.000 . 1 . . . 1 A 29 PHE CZ . 30030 1
237 . 1 1 19 19 PHE HZ H 1 7.421 0.000 . 1 . . . 1 A 29 PHE HZ . 30030 1
238 . 1 1 19 19 PHE C C 13 174.464 0.000 . 1 . . . 1 A 29 PHE C . 30030 1
239 . 1 1 20 20 HIS N N 15 126.259 0.000 . 1 . . . 1 A 30 HIS N . 30030 1
240 . 1 1 20 20 HIS H H 1 8.765 0.000 . 1 . . . 1 A 30 HIS H . 30030 1
241 . 1 1 20 20 HIS CA C 13 55.129 0.000 . 1 . . . 1 A 30 HIS CA . 30030 1
242 . 1 1 20 20 HIS HA H 1 5.116 0.000 . 1 . . . 1 A 30 HIS HA . 30030 1
243 . 1 1 20 20 HIS CB C 13 29.531 0.000 . 1 . . . 1 A 30 HIS CB . 30030 1
244 . 1 1 20 20 HIS HB2 H 1 3.072 0.000 . 2 . . . 1 A 30 HIS HB2 . 30030 1
245 . 1 1 20 20 HIS HB3 H 1 2.923 0.000 . 2 . . . 1 A 30 HIS HB3 . 30030 1
246 . 1 1 20 20 HIS ND1 N 15 178.714 0.000 . 1 . . . 1 A 30 HIS ND1 . 30030 1
247 . 1 1 20 20 HIS CD2 C 13 119.888 0.000 . 1 . . . 1 A 30 HIS CD2 . 30030 1
248 . 1 1 20 20 HIS CE1 C 13 136.395 0.000 . 1 . . . 1 A 30 HIS CE1 . 30030 1
249 . 1 1 20 20 HIS NE2 N 15 179.503 0.000 . 1 . . . 1 A 30 HIS NE2 . 30030 1
250 . 1 1 20 20 HIS HD2 H 1 6.845 0.000 . 1 . . . 1 A 30 HIS HD2 . 30030 1
251 . 1 1 20 20 HIS HE1 H 1 8.079 0.000 . 1 . . . 1 A 30 HIS HE1 . 30030 1
252 . 1 1 20 20 HIS C C 13 173.765 0.000 . 1 . . . 1 A 30 HIS C . 30030 1
253 . 1 1 21 21 CYS N N 15 131.375 0.000 . 1 . . . 1 A 31 CYS N . 30030 1
254 . 1 1 21 21 CYS H H 1 9.019 0.000 . 1 . . . 1 A 31 CYS H . 30030 1
255 . 1 1 21 21 CYS CA C 13 58.831 0.000 . 1 . . . 1 A 31 CYS CA . 30030 1
256 . 1 1 21 21 CYS HA H 1 4.689 0.000 . 1 . . . 1 A 31 CYS HA . 30030 1
257 . 1 1 21 21 CYS CB C 13 31.813 0.000 . 1 . . . 1 A 31 CYS CB . 30030 1
258 . 1 1 21 21 CYS HB2 H 1 3.731 0.000 . 2 . . . 1 A 31 CYS HB2 . 30030 1
259 . 1 1 21 21 CYS HB3 H 1 2.958 0.000 . 2 . . . 1 A 31 CYS HB3 . 30030 1
260 . 1 1 21 21 CYS C C 13 176.764 0.000 . 1 . . . 1 A 31 CYS C . 30030 1
261 . 1 1 22 22 SER N N 15 125.498 0.000 . 1 . . . 1 A 32 SER N . 30030 1
262 . 1 1 22 22 SER H H 1 9.116 0.000 . 1 . . . 1 A 32 SER H . 30030 1
263 . 1 1 22 22 SER CA C 13 60.382 0.000 . 1 . . . 1 A 32 SER CA . 30030 1
264 . 1 1 22 22 SER HA H 1 4.199 0.000 . 1 . . . 1 A 32 SER HA . 30030 1
265 . 1 1 22 22 SER CB C 13 62.931 0.000 . 1 . . . 1 A 32 SER CB . 30030 1
266 . 1 1 22 22 SER HB2 H 1 3.742 0.000 . 2 . . . 1 A 32 SER HB2 . 30030 1
267 . 1 1 22 22 SER HB3 H 1 3.662 0.000 . 2 . . . 1 A 32 SER HB3 . 30030 1
268 . 1 1 22 22 SER C C 13 173.556 0.000 . 1 . . . 1 A 32 SER C . 30030 1
269 . 1 1 23 23 PHE N N 15 121.941 0.000 . 1 . . . 1 A 33 PHE N . 30030 1
270 . 1 1 23 23 PHE H H 1 8.797 0.000 . 1 . . . 1 A 33 PHE H . 30030 1
271 . 1 1 23 23 PHE CA C 13 60.543 0.000 . 1 . . . 1 A 33 PHE CA . 30030 1
272 . 1 1 23 23 PHE HA H 1 4.028 0.000 . 1 . . . 1 A 33 PHE HA . 30030 1
273 . 1 1 23 23 PHE CB C 13 38.639 0.000 . 1 . . . 1 A 33 PHE CB . 30030 1
274 . 1 1 23 23 PHE HB2 H 1 2.995 0.000 . 2 . . . 1 A 33 PHE HB2 . 30030 1
275 . 1 1 23 23 PHE HB3 H 1 2.554 0.000 . 2 . . . 1 A 33 PHE HB3 . 30030 1
276 . 1 1 23 23 PHE HD1 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD1 . 30030 1
277 . 1 1 23 23 PHE HD2 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD2 . 30030 1
278 . 1 1 23 23 PHE HE1 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE1 . 30030 1
279 . 1 1 23 23 PHE HE2 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE2 . 30030 1
280 . 1 1 23 23 PHE CD1 C 13 131.923 0.000 . 3 . . . 1 A 33 PHE CD1 . 30030 1
281 . 1 1 23 23 PHE CE1 C 13 131.066 0.000 . 3 . . . 1 A 33 PHE CE1 . 30030 1
282 . 1 1 23 23 PHE CZ C 13 129.649 0.000 . 1 . . . 1 A 33 PHE CZ . 30030 1
283 . 1 1 23 23 PHE HZ H 1 7.072 0.000 . 1 . . . 1 A 33 PHE HZ . 30030 1
284 . 1 1 23 23 PHE C C 13 176.327 0.000 . 1 . . . 1 A 33 PHE C . 30030 1
285 . 1 1 24 24 CYS N N 15 116.575 0.000 . 1 . . . 1 A 34 CYS N . 30030 1
286 . 1 1 24 24 CYS H H 1 7.964 0.000 . 1 . . . 1 A 34 CYS H . 30030 1
287 . 1 1 24 24 CYS CA C 13 58.093 0.000 . 1 . . . 1 A 34 CYS CA . 30030 1
288 . 1 1 24 24 CYS HA H 1 5.026 0.000 . 1 . . . 1 A 34 CYS HA . 30030 1
289 . 1 1 24 24 CYS CB C 13 32.766 0.000 . 1 . . . 1 A 34 CYS CB . 30030 1
290 . 1 1 24 24 CYS HB2 H 1 3.592 0.000 . 2 . . . 1 A 34 CYS HB2 . 30030 1
291 . 1 1 24 24 CYS HB3 H 1 3.500 0.000 . 2 . . . 1 A 34 CYS HB3 . 30030 1
292 . 1 1 24 24 CYS C C 13 175.512 0.000 . 1 . . . 1 A 34 CYS C . 30030 1
293 . 1 1 25 25 ASN N N 15 119.305 0.000 . 1 . . . 1 A 35 ASN N . 30030 1
294 . 1 1 25 25 ASN H H 1 8.034 0.000 . 1 . . . 1 A 35 ASN H . 30030 1
295 . 1 1 25 25 ASN CA C 13 54.593 0.000 . 1 . . . 1 A 35 ASN CA . 30030 1
296 . 1 1 25 25 ASN HA H 1 4.282 0.000 . 1 . . . 1 A 35 ASN HA . 30030 1
297 . 1 1 25 25 ASN CB C 13 37.536 0.000 . 1 . . . 1 A 35 ASN CB . 30030 1
298 . 1 1 25 25 ASN HB2 H 1 3.303 0.000 . 2 . . . 1 A 35 ASN HB2 . 30030 1
299 . 1 1 25 25 ASN HB3 H 1 2.732 0.000 . 2 . . . 1 A 35 ASN HB3 . 30030 1
300 . 1 1 25 25 ASN ND2 N 15 112.273 0.000 . 1 . . . 1 A 35 ASN ND2 . 30030 1
301 . 1 1 25 25 ASN HD21 H 1 7.588 0.000 . 2 . . . 1 A 35 ASN HD21 . 30030 1
302 . 1 1 25 25 ASN HD22 H 1 6.755 0.000 . 2 . . . 1 A 35 ASN HD22 . 30030 1
303 . 1 1 25 25 ASN C C 13 173.416 0.000 . 1 . . . 1 A 35 ASN C . 30030 1
304 . 1 1 26 26 GLU N N 15 118.124 0.000 . 1 . . . 1 A 36 GLU N . 30030 1
305 . 1 1 26 26 GLU H H 1 7.252 0.000 . 1 . . . 1 A 36 GLU H . 30030 1
306 . 1 1 26 26 GLU CA C 13 54.734 0.000 . 1 . . . 1 A 36 GLU CA . 30030 1
307 . 1 1 26 26 GLU HA H 1 4.604 0.000 . 1 . . . 1 A 36 GLU HA . 30030 1
308 . 1 1 26 26 GLU CB C 13 32.856 0.000 . 1 . . . 1 A 36 GLU CB . 30030 1
309 . 1 1 26 26 GLU HB2 H 1 2.105 0.000 . 2 . . . 1 A 36 GLU HB2 . 30030 1
310 . 1 1 26 26 GLU HB3 H 1 1.467 0.000 . 2 . . . 1 A 36 GLU HB3 . 30030 1
311 . 1 1 26 26 GLU CG C 13 35.806 0.000 . 1 . . . 1 A 36 GLU CG . 30030 1
312 . 1 1 26 26 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 36 GLU HG2 . 30030 1
313 . 1 1 26 26 GLU HG3 H 1 2.226 0.000 . 2 . . . 1 A 36 GLU HG3 . 30030 1
314 . 1 1 26 26 GLU C C 13 172.950 0.000 . 1 . . . 1 A 36 GLU C . 30030 1
315 . 1 1 27 27 ASP N N 15 118.267 0.000 . 1 . . . 1 A 37 ASP N . 30030 1
316 . 1 1 27 27 ASP H H 1 8.175 0.000 . 1 . . . 1 A 37 ASP H . 30030 1
317 . 1 1 27 27 ASP CA C 13 53.537 0.000 . 1 . . . 1 A 37 ASP CA . 30030 1
318 . 1 1 27 27 ASP HA H 1 5.466 0.000 . 1 . . . 1 A 37 ASP HA . 30030 1
319 . 1 1 27 27 ASP CB C 13 44.647 0.000 . 1 . . . 1 A 37 ASP CB . 30030 1
320 . 1 1 27 27 ASP HB2 H 1 2.290 0.000 . 2 . . . 1 A 37 ASP HB2 . 30030 1
321 . 1 1 27 27 ASP HB3 H 1 2.136 0.000 . 2 . . . 1 A 37 ASP HB3 . 30030 1
322 . 1 1 27 27 ASP C C 13 174.161 0.000 . 1 . . . 1 A 37 ASP C . 30030 1
323 . 1 1 28 28 PHE N N 15 116.492 0.000 . 1 . . . 1 A 38 PHE N . 30030 1
324 . 1 1 28 28 PHE H H 1 9.026 0.000 . 1 . . . 1 A 38 PHE H . 30030 1
325 . 1 1 28 28 PHE CA C 13 57.877 0.000 . 1 . . . 1 A 38 PHE CA . 30030 1
326 . 1 1 28 28 PHE HA H 1 5.662 0.000 . 1 . . . 1 A 38 PHE HA . 30030 1
327 . 1 1 28 28 PHE CB C 13 45.543 0.000 . 1 . . . 1 A 38 PHE CB . 30030 1
328 . 1 1 28 28 PHE HB2 H 1 3.412 0.000 . 2 . . . 1 A 38 PHE HB2 . 30030 1
329 . 1 1 28 28 PHE HB3 H 1 2.489 0.000 . 2 . . . 1 A 38 PHE HB3 . 30030 1
330 . 1 1 28 28 PHE CD1 C 13 130.313 0.000 . 3 . . . 1 A 38 PHE CD1 . 30030 1
331 . 1 1 28 28 PHE HD1 H 1 7.727 0.000 . 3 . . . 1 A 38 PHE HD1 . 30030 1
332 . 1 1 28 28 PHE CE1 C 13 132.529 0.000 . 3 . . . 1 A 38 PHE CE1 . 30030 1
333 . 1 1 28 28 PHE HE1 H 1 7.297 0.000 . 3 . . . 1 A 38 PHE HE1 . 30030 1
334 . 1 1 28 28 PHE CZ C 13 130.927 0.000 . 1 . . . 1 A 38 PHE CZ . 30030 1
335 . 1 1 28 28 PHE HZ H 1 6.918 0.000 . 1 . . . 1 A 38 PHE HZ . 30030 1
336 . 1 1 28 28 PHE CE2 C 13 131.423 0.000 . 3 . . . 1 A 38 PHE CE2 . 30030 1
337 . 1 1 28 28 PHE HE2 H 1 6.521 0.000 . 3 . . . 1 A 38 PHE HE2 . 30030 1
338 . 1 1 28 28 PHE CD2 C 13 131.502 0.000 . 3 . . . 1 A 38 PHE CD2 . 30030 1
339 . 1 1 28 28 PHE HD2 H 1 6.797 0.000 . 3 . . . 1 A 38 PHE HD2 . 30030 1
340 . 1 1 28 28 PHE C C 13 175.488 0.000 . 1 . . . 1 A 38 PHE C . 30030 1
341 . 1 1 29 29 CYS N N 15 117.430 0.000 . 1 . . . 1 A 39 CYS N . 30030 1
342 . 1 1 29 29 CYS H H 1 9.388 0.000 . 1 . . . 1 A 39 CYS H . 30030 1
343 . 1 1 29 29 CYS CA C 13 57.559 0.000 . 1 . . . 1 A 39 CYS CA . 30030 1
344 . 1 1 29 29 CYS HA H 1 5.112 0.000 . 1 . . . 1 A 39 CYS HA . 30030 1
345 . 1 1 29 29 CYS CB C 13 31.925 0.000 . 1 . . . 1 A 39 CYS CB . 30030 1
346 . 1 1 29 29 CYS HB2 H 1 3.710 0.000 . 2 . . . 1 A 39 CYS HB2 . 30030 1
347 . 1 1 29 29 CYS HB3 H 1 2.988 0.000 . 2 . . . 1 A 39 CYS HB3 . 30030 1
348 . 1 1 29 29 CYS C C 13 176.746 0.000 . 1 . . . 1 A 39 CYS C . 30030 1
349 . 1 1 30 30 SER N N 15 112.961 0.000 . 1 . . . 1 A 40 SER N . 30030 1
350 . 1 1 30 30 SER H H 1 8.651 0.000 . 1 . . . 1 A 40 SER H . 30030 1
351 . 1 1 30 30 SER CA C 13 62.020 0.000 . 1 . . . 1 A 40 SER CA . 30030 1
352 . 1 1 30 30 SER HA H 1 3.908 0.000 . 1 . . . 1 A 40 SER HA . 30030 1
353 . 1 1 30 30 SER CB C 13 62.951 0.000 . 1 . . . 1 A 40 SER CB . 30030 1
354 . 1 1 30 30 SER HB2 H 1 4.051 0.000 . 2 . . . 1 A 40 SER HB2 . 30030 1
355 . 1 1 30 30 SER HB3 H 1 4.010 0.000 . 2 . . . 1 A 40 SER HB3 . 30030 1
356 . 1 1 30 30 SER C C 13 176.829 0.000 . 1 . . . 1 A 40 SER C . 30030 1
357 . 1 1 31 31 ASN N N 15 118.191 0.000 . 1 . . . 1 A 41 ASN N . 30030 1
358 . 1 1 31 31 ASN H H 1 8.148 0.000 . 1 . . . 1 A 41 ASN H . 30030 1
359 . 1 1 31 31 ASN CA C 13 55.136 0.000 . 1 . . . 1 A 41 ASN CA . 30030 1
360 . 1 1 31 31 ASN HA H 1 4.446 0.000 . 1 . . . 1 A 41 ASN HA . 30030 1
361 . 1 1 31 31 ASN CB C 13 38.236 0.000 . 1 . . . 1 A 41 ASN CB . 30030 1
362 . 1 1 31 31 ASN HB2 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB2 . 30030 1
363 . 1 1 31 31 ASN HB3 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB3 . 30030 1
364 . 1 1 31 31 ASN ND2 N 15 114.441 0.000 . 1 . . . 1 A 41 ASN ND2 . 30030 1
365 . 1 1 31 31 ASN HD21 H 1 7.614 0.000 . 2 . . . 1 A 41 ASN HD21 . 30030 1
366 . 1 1 31 31 ASN HD22 H 1 7.031 0.000 . 2 . . . 1 A 41 ASN HD22 . 30030 1
367 . 1 1 31 31 ASN C C 13 176.606 0.000 . 1 . . . 1 A 41 ASN C . 30030 1
368 . 1 1 32 32 HIS N N 15 118.543 0.000 . 1 . . . 1 A 42 HIS N . 30030 1
369 . 1 1 32 32 HIS H H 1 7.970 0.000 . 1 . . . 1 A 42 HIS H . 30030 1
370 . 1 1 32 32 HIS CA C 13 57.119 0.000 . 1 . . . 1 A 42 HIS CA . 30030 1
371 . 1 1 32 32 HIS HA H 1 4.713 0.000 . 1 . . . 1 A 42 HIS HA . 30030 1
372 . 1 1 32 32 HIS CB C 13 32.070 0.000 . 1 . . . 1 A 42 HIS CB . 30030 1
373 . 1 1 32 32 HIS HB2 H 1 3.431 0.000 . 2 . . . 1 A 42 HIS HB2 . 30030 1
374 . 1 1 32 32 HIS HB3 H 1 3.250 0.000 . 2 . . . 1 A 42 HIS HB3 . 30030 1
375 . 1 1 32 32 HIS ND1 N 15 217.721 0.000 . 1 . . . 1 A 42 HIS ND1 . 30030 1
376 . 1 1 32 32 HIS CD2 C 13 119.893 0.000 . 1 . . . 1 A 42 HIS CD2 . 30030 1
377 . 1 1 32 32 HIS CE1 C 13 139.077 0.000 . 1 . . . 1 A 42 HIS CE1 . 30030 1
378 . 1 1 32 32 HIS NE2 N 15 172.002 0.000 . 1 . . . 1 A 42 HIS NE2 . 30030 1
379 . 1 1 32 32 HIS HD2 H 1 6.930 0.000 . 1 . . . 1 A 42 HIS HD2 . 30030 1
380 . 1 1 32 32 HIS HE1 H 1 8.161 0.000 . 1 . . . 1 A 42 HIS HE1 . 30030 1
381 . 1 1 32 32 HIS C C 13 172.973 0.000 . 1 . . . 1 A 42 HIS C . 30030 1
382 . 1 1 33 33 ARG N N 15 119.773 0.000 . 1 . . . 1 A 43 ARG N . 30030 1
383 . 1 1 33 33 ARG H H 1 7.086 0.000 . 1 . . . 1 A 43 ARG H . 30030 1
384 . 1 1 33 33 ARG CA C 13 59.670 0.000 . 1 . . . 1 A 43 ARG CA . 30030 1
385 . 1 1 33 33 ARG HA H 1 3.811 0.000 . 1 . . . 1 A 43 ARG HA . 30030 1
386 . 1 1 33 33 ARG CB C 13 30.461 0.000 . 1 . . . 1 A 43 ARG CB . 30030 1
387 . 1 1 33 33 ARG HB2 H 1 1.415 0.000 . 2 . . . 1 A 43 ARG HB2 . 30030 1
388 . 1 1 33 33 ARG HB3 H 1 1.329 0.000 . 2 . . . 1 A 43 ARG HB3 . 30030 1
389 . 1 1 33 33 ARG CG C 13 26.213 0.000 . 1 . . . 1 A 43 ARG CG . 30030 1
390 . 1 1 33 33 ARG HG2 H 1 1.384 0.000 . 2 . . . 1 A 43 ARG HG2 . 30030 1
391 . 1 1 33 33 ARG HG3 H 1 1.038 0.000 . 2 . . . 1 A 43 ARG HG3 . 30030 1
392 . 1 1 33 33 ARG CD C 13 43.147 0.000 . 1 . . . 1 A 43 ARG CD . 30030 1
393 . 1 1 33 33 ARG HD2 H 1 2.464 0.000 . 2 . . . 1 A 43 ARG HD2 . 30030 1
394 . 1 1 33 33 ARG HD3 H 1 2.427 0.000 . 2 . . . 1 A 43 ARG HD3 . 30030 1
395 . 1 1 33 33 ARG C C 13 176.490 0.000 . 1 . . . 1 A 43 ARG C . 30030 1
396 . 1 1 34 34 LEU N N 15 119.944 0.000 . 1 . . . 1 A 44 LEU N . 30030 1
397 . 1 1 34 34 LEU H H 1 8.481 0.000 . 1 . . . 1 A 44 LEU H . 30030 1
398 . 1 1 34 34 LEU CA C 13 55.046 0.000 . 1 . . . 1 A 44 LEU CA . 30030 1
399 . 1 1 34 34 LEU HA H 1 4.154 0.000 . 1 . . . 1 A 44 LEU HA . 30030 1
400 . 1 1 34 34 LEU CB C 13 40.285 0.000 . 1 . . . 1 A 44 LEU CB . 30030 1
401 . 1 1 34 34 LEU HB2 H 1 1.712 0.000 . 2 . . . 1 A 44 LEU HB2 . 30030 1
402 . 1 1 34 34 LEU HB3 H 1 1.400 0.000 . 2 . . . 1 A 44 LEU HB3 . 30030 1
403 . 1 1 34 34 LEU CG C 13 26.622 0.000 . 1 . . . 1 A 44 LEU CG . 30030 1
404 . 1 1 34 34 LEU HG H 1 1.607 0.000 . 1 . . . 1 A 44 LEU HG . 30030 1
405 . 1 1 34 34 LEU HD11 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD11 . 30030 1
406 . 1 1 34 34 LEU HD12 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD12 . 30030 1
407 . 1 1 34 34 LEU HD13 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD13 . 30030 1
408 . 1 1 34 34 LEU HD21 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD21 . 30030 1
409 . 1 1 34 34 LEU HD22 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD22 . 30030 1
410 . 1 1 34 34 LEU HD23 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD23 . 30030 1
411 . 1 1 34 34 LEU CD1 C 13 25.184 0.000 . 2 . . . 1 A 44 LEU CD1 . 30030 1
412 . 1 1 34 34 LEU CD2 C 13 22.352 0.000 . 2 . . . 1 A 44 LEU CD2 . 30030 1
413 . 1 1 34 34 LEU C C 13 178.725 0.000 . 1 . . . 1 A 44 LEU C . 30030 1
414 . 1 1 35 35 LYS N N 15 121.685 0.000 . 1 . . . 1 A 45 LYS N . 30030 1
415 . 1 1 35 35 LYS H H 1 8.537 0.000 . 1 . . . 1 A 45 LYS H . 30030 1
416 . 1 1 35 35 LYS CA C 13 60.555 0.000 . 1 . . . 1 A 45 LYS CA . 30030 1
417 . 1 1 35 35 LYS HA H 1 2.434 0.000 . 1 . . . 1 A 45 LYS HA . 30030 1
418 . 1 1 35 35 LYS CB C 13 32.221 0.000 . 1 . . . 1 A 45 LYS CB . 30030 1
419 . 1 1 35 35 LYS HB2 H 1 1.572 0.000 . 2 . . . 1 A 45 LYS HB2 . 30030 1
420 . 1 1 35 35 LYS HB3 H 1 1.274 0.000 . 2 . . . 1 A 45 LYS HB3 . 30030 1
421 . 1 1 35 35 LYS CG C 13 24.777 0.000 . 1 . . . 1 A 45 LYS CG . 30030 1
422 . 1 1 35 35 LYS HG2 H 1 1.725 0.000 . 2 . . . 1 A 45 LYS HG2 . 30030 1
423 . 1 1 35 35 LYS HG3 H 1 1.507 0.000 . 2 . . . 1 A 45 LYS HG3 . 30030 1
424 . 1 1 35 35 LYS CD C 13 29.398 0.000 . 1 . . . 1 A 45 LYS CD . 30030 1
425 . 1 1 35 35 LYS HD2 H 1 1.150 0.000 . 2 . . . 1 A 45 LYS HD2 . 30030 1
426 . 1 1 35 35 LYS HD3 H 1 1.122 0.000 . 2 . . . 1 A 45 LYS HD3 . 30030 1
427 . 1 1 35 35 LYS CE C 13 40.495 0.000 . 1 . . . 1 A 45 LYS CE . 30030 1
428 . 1 1 35 35 LYS HE2 H 1 2.294 0.000 . 2 . . . 1 A 45 LYS HE2 . 30030 1
429 . 1 1 35 35 LYS HE3 H 1 2.063 0.000 . 2 . . . 1 A 45 LYS HE3 . 30030 1
430 . 1 1 35 35 LYS C C 13 178.236 0.000 . 1 . . . 1 A 45 LYS C . 30030 1
431 . 1 1 36 36 GLU N N 15 116.444 0.000 . 1 . . . 1 A 46 GLU N . 30030 1
432 . 1 1 36 36 GLU H H 1 9.528 0.000 . 1 . . . 1 A 46 GLU H . 30030 1
433 . 1 1 36 36 GLU CA C 13 59.280 0.000 . 1 . . . 1 A 46 GLU CA . 30030 1
434 . 1 1 36 36 GLU HA H 1 3.677 0.000 . 1 . . . 1 A 46 GLU HA . 30030 1
435 . 1 1 36 36 GLU CB C 13 28.360 0.000 . 1 . . . 1 A 46 GLU CB . 30030 1
436 . 1 1 36 36 GLU HB2 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB2 . 30030 1
437 . 1 1 36 36 GLU HB3 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB3 . 30030 1
438 . 1 1 36 36 GLU CG C 13 36.525 0.000 . 1 . . . 1 A 46 GLU CG . 30030 1
439 . 1 1 36 36 GLU HG2 H 1 2.256 0.000 . 2 . . . 1 A 46 GLU HG2 . 30030 1
440 . 1 1 36 36 GLU HG3 H 1 2.107 0.000 . 2 . . . 1 A 46 GLU HG3 . 30030 1
441 . 1 1 36 36 GLU C C 13 178.143 0.000 . 1 . . . 1 A 46 GLU C . 30030 1
442 . 1 1 37 37 ASP N N 15 117.352 0.000 . 1 . . . 1 A 47 ASP N . 30030 1
443 . 1 1 37 37 ASP H H 1 6.878 0.000 . 1 . . . 1 A 47 ASP H . 30030 1
444 . 1 1 37 37 ASP CA C 13 55.586 0.000 . 1 . . . 1 A 47 ASP CA . 30030 1
445 . 1 1 37 37 ASP HA H 1 4.516 0.000 . 1 . . . 1 A 47 ASP HA . 30030 1
446 . 1 1 37 37 ASP CB C 13 41.444 0.000 . 1 . . . 1 A 47 ASP CB . 30030 1
447 . 1 1 37 37 ASP HB2 H 1 2.752 0.000 . 2 . . . 1 A 47 ASP HB2 . 30030 1
448 . 1 1 37 37 ASP HB3 H 1 2.536 0.000 . 2 . . . 1 A 47 ASP HB3 . 30030 1
449 . 1 1 37 37 ASP C C 13 176.420 0.000 . 1 . . . 1 A 47 ASP C . 30030 1
450 . 1 1 38 38 HIS N N 15 111.888 0.000 . 1 . . . 1 A 48 HIS N . 30030 1
451 . 1 1 38 38 HIS H H 1 7.003 0.000 . 1 . . . 1 A 48 HIS H . 30030 1
452 . 1 1 38 38 HIS CA C 13 54.165 0.000 . 1 . . . 1 A 48 HIS CA . 30030 1
453 . 1 1 38 38 HIS HA H 1 4.037 0.000 . 1 . . . 1 A 48 HIS HA . 30030 1
454 . 1 1 38 38 HIS CB C 13 28.080 0.000 . 1 . . . 1 A 48 HIS CB . 30030 1
455 . 1 1 38 38 HIS HB2 H 1 3.033 0.000 . 2 . . . 1 A 48 HIS HB2 . 30030 1
456 . 1 1 38 38 HIS HB3 H 1 2.433 0.000 . 2 . . . 1 A 48 HIS HB3 . 30030 1
457 . 1 1 38 38 HIS ND1 N 15 175.806 0.000 . 1 . . . 1 A 48 HIS ND1 . 30030 1
458 . 1 1 38 38 HIS CD2 C 13 128.715 0.000 . 1 . . . 1 A 48 HIS CD2 . 30030 1
459 . 1 1 38 38 HIS HD1 H 1 10.436 0.000 . 1 . . . 1 A 48 HIS HD1 . 30030 1
460 . 1 1 38 38 HIS CE1 C 13 136.782 0.000 . 1 . . . 1 A 48 HIS CE1 . 30030 1
461 . 1 1 38 38 HIS NE2 N 15 215.747 0.000 . 1 . . . 1 A 48 HIS NE2 . 30030 1
462 . 1 1 38 38 HIS HD2 H 1 6.402 0.000 . 1 . . . 1 A 48 HIS HD2 . 30030 1
463 . 1 1 38 38 HIS HE1 H 1 7.397 0.000 . 1 . . . 1 A 48 HIS HE1 . 30030 1
464 . 1 1 38 38 HIS C C 13 172.973 0.000 . 1 . . . 1 A 48 HIS C . 30030 1
465 . 1 1 39 39 HIS N N 15 118.133 0.000 . 1 . . . 1 A 49 HIS N . 30030 1
466 . 1 1 39 39 HIS H H 1 7.226 0.000 . 1 . . . 1 A 49 HIS H . 30030 1
467 . 1 1 39 39 HIS CA C 13 55.746 0.000 . 1 . . . 1 A 49 HIS CA . 30030 1
468 . 1 1 39 39 HIS HA H 1 3.828 0.000 . 1 . . . 1 A 49 HIS HA . 30030 1
469 . 1 1 39 39 HIS CB C 13 26.538 0.000 . 1 . . . 1 A 49 HIS CB . 30030 1
470 . 1 1 39 39 HIS HB2 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB2 . 30030 1
471 . 1 1 39 39 HIS HB3 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB3 . 30030 1
472 . 1 1 39 39 HIS ND1 N 15 186.373 0.000 . 1 . . . 1 A 49 HIS ND1 . 30030 1
473 . 1 1 39 39 HIS CD2 C 13 120.077 0.000 . 1 . . . 1 A 49 HIS CD2 . 30030 1
474 . 1 1 39 39 HIS CE1 C 13 136.171 0.000 . 1 . . . 1 A 49 HIS CE1 . 30030 1
475 . 1 1 39 39 HIS NE2 N 15 177.845 0.000 . 1 . . . 1 A 49 HIS NE2 . 30030 1
476 . 1 1 39 39 HIS HD2 H 1 6.818 0.000 . 1 . . . 1 A 49 HIS HD2 . 30030 1
477 . 1 1 39 39 HIS HE1 H 1 8.042 0.000 . 1 . . . 1 A 49 HIS HE1 . 30030 1
478 . 1 1 39 39 HIS C C 13 173.183 0.000 . 1 . . . 1 A 49 HIS C . 30030 1
479 . 1 1 40 40 CYS N N 15 117.917 0.000 . 1 . . . 1 A 50 CYS N . 30030 1
480 . 1 1 40 40 CYS H H 1 7.455 0.000 . 1 . . . 1 A 50 CYS H . 30030 1
481 . 1 1 40 40 CYS CA C 13 63.166 0.000 . 1 . . . 1 A 50 CYS CA . 30030 1
482 . 1 1 40 40 CYS HA H 1 3.998 0.000 . 1 . . . 1 A 50 CYS HA . 30030 1
483 . 1 1 40 40 CYS CB C 13 30.971 0.000 . 1 . . . 1 A 50 CYS CB . 30030 1
484 . 1 1 40 40 CYS HB2 H 1 2.543 0.000 . 2 . . . 1 A 50 CYS HB2 . 30030 1
485 . 1 1 40 40 CYS HB3 H 1 2.436 0.000 . 2 . . . 1 A 50 CYS HB3 . 30030 1
486 . 1 1 40 40 CYS C C 13 178.446 0.000 . 1 . . . 1 A 50 CYS C . 30030 1
487 . 1 1 41 41 ARG N N 15 131.668 0.000 . 1 . . . 1 A 51 ARG N . 30030 1
488 . 1 1 41 41 ARG H H 1 9.280 0.000 . 1 . . . 1 A 51 ARG H . 30030 1
489 . 1 1 41 41 ARG CA C 13 59.211 0.000 . 1 . . . 1 A 51 ARG CA . 30030 1
490 . 1 1 41 41 ARG HA H 1 4.203 0.000 . 1 . . . 1 A 51 ARG HA . 30030 1
491 . 1 1 41 41 ARG CB C 13 30.274 0.000 . 1 . . . 1 A 51 ARG CB . 30030 1
492 . 1 1 41 41 ARG HB2 H 1 2.125 0.000 . 2 . . . 1 A 51 ARG HB2 . 30030 1
493 . 1 1 41 41 ARG HB3 H 1 2.032 0.000 . 2 . . . 1 A 51 ARG HB3 . 30030 1
494 . 1 1 41 41 ARG CG C 13 27.391 0.000 . 1 . . . 1 A 51 ARG CG . 30030 1
495 . 1 1 41 41 ARG HG2 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG2 . 30030 1
496 . 1 1 41 41 ARG HG3 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG3 . 30030 1
497 . 1 1 41 41 ARG CD C 13 43.483 0.000 . 1 . . . 1 A 51 ARG CD . 30030 1
498 . 1 1 41 41 ARG HD2 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD2 . 30030 1
499 . 1 1 41 41 ARG HD3 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD3 . 30030 1
500 . 1 1 41 41 ARG C C 13 177.633 0.000 . 1 . . . 1 A 51 ARG C . 30030 1
501 . 1 1 42 42 TRP N N 15 121.530 0.000 . 1 . . . 1 A 52 TRP N . 30030 1
502 . 1 1 42 42 TRP H H 1 8.542 0.000 . 1 . . . 1 A 52 TRP H . 30030 1
503 . 1 1 42 42 TRP CA C 13 61.099 0.000 . 1 . . . 1 A 52 TRP CA . 30030 1
504 . 1 1 42 42 TRP HA H 1 4.370 0.000 . 1 . . . 1 A 52 TRP HA . 30030 1
505 . 1 1 42 42 TRP CB C 13 31.152 0.000 . 1 . . . 1 A 52 TRP CB . 30030 1
506 . 1 1 42 42 TRP HB2 H 1 3.541 0.000 . 2 . . . 1 A 52 TRP HB2 . 30030 1
507 . 1 1 42 42 TRP HB3 H 1 3.240 0.000 . 2 . . . 1 A 52 TRP HB3 . 30030 1
508 . 1 1 42 42 TRP CD1 C 13 127.533 0.000 . 1 . . . 1 A 52 TRP CD1 . 30030 1
509 . 1 1 42 42 TRP CE3 C 13 119.715 0.000 . 1 . . . 1 A 52 TRP CE3 . 30030 1
510 . 1 1 42 42 TRP NE1 N 15 130.203 0.000 . 1 . . . 1 A 52 TRP NE1 . 30030 1
511 . 1 1 42 42 TRP HD1 H 1 7.237 0.000 . 1 . . . 1 A 52 TRP HD1 . 30030 1
512 . 1 1 42 42 TRP HE3 H 1 7.113 0.000 . 1 . . . 1 A 52 TRP HE3 . 30030 1
513 . 1 1 42 42 TRP CZ3 C 13 121.754 0.000 . 1 . . . 1 A 52 TRP CZ3 . 30030 1
514 . 1 1 42 42 TRP CZ2 C 13 114.741 0.000 . 1 . . . 1 A 52 TRP CZ2 . 30030 1
515 . 1 1 42 42 TRP HE1 H 1 10.214 0.000 . 1 . . . 1 A 52 TRP HE1 . 30030 1
516 . 1 1 42 42 TRP HZ3 H 1 6.844 0.000 . 1 . . . 1 A 52 TRP HZ3 . 30030 1
517 . 1 1 42 42 TRP CH2 C 13 124.585 0.000 . 1 . . . 1 A 52 TRP CH2 . 30030 1
518 . 1 1 42 42 TRP HZ2 H 1 7.313 0.000 . 1 . . . 1 A 52 TRP HZ2 . 30030 1
519 . 1 1 42 42 TRP HH2 H 1 7.021 0.000 . 1 . . . 1 A 52 TRP HH2 . 30030 1
520 . 1 1 42 42 TRP C C 13 178.259 0.000 . 1 . . . 1 A 52 TRP C . 30030 1
521 . 1 1 43 43 LEU N N 15 116.211 0.000 . 1 . . . 1 A 53 LEU N . 30030 1
522 . 1 1 43 43 LEU H H 1 7.646 0.000 . 1 . . . 1 A 53 LEU H . 30030 1
523 . 1 1 43 43 LEU CA C 13 56.737 0.000 . 1 . . . 1 A 53 LEU CA . 30030 1
524 . 1 1 43 43 LEU HA H 1 3.950 0.000 . 1 . . . 1 A 53 LEU HA . 30030 1
525 . 1 1 43 43 LEU CB C 13 41.934 0.000 . 1 . . . 1 A 53 LEU CB . 30030 1
526 . 1 1 43 43 LEU HB2 H 1 1.811 0.000 . 2 . . . 1 A 53 LEU HB2 . 30030 1
527 . 1 1 43 43 LEU HB3 H 1 1.565 0.000 . 2 . . . 1 A 53 LEU HB3 . 30030 1
528 . 1 1 43 43 LEU CG C 13 27.493 0.000 . 1 . . . 1 A 53 LEU CG . 30030 1
529 . 1 1 43 43 LEU HG H 1 1.561 0.000 . 1 . . . 1 A 53 LEU HG . 30030 1
530 . 1 1 43 43 LEU HD11 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD11 . 30030 1
531 . 1 1 43 43 LEU HD12 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD12 . 30030 1
532 . 1 1 43 43 LEU HD13 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD13 . 30030 1
533 . 1 1 43 43 LEU HD21 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD21 . 30030 1
534 . 1 1 43 43 LEU HD22 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD22 . 30030 1
535 . 1 1 43 43 LEU HD23 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD23 . 30030 1
536 . 1 1 43 43 LEU CD1 C 13 25.344 0.000 . 2 . . . 1 A 53 LEU CD1 . 30030 1
537 . 1 1 43 43 LEU CD2 C 13 23.231 0.000 . 2 . . . 1 A 53 LEU CD2 . 30030 1
538 . 1 1 43 43 LEU C C 13 178.166 0.000 . 1 . . . 1 A 53 LEU C . 30030 1
539 . 1 1 44 44 LEU N N 15 117.852 0.000 . 1 . . . 1 A 54 LEU N . 30030 1
540 . 1 1 44 44 LEU H H 1 7.397 0.000 . 1 . . . 1 A 54 LEU H . 30030 1
541 . 1 1 44 44 LEU CA C 13 56.205 0.000 . 1 . . . 1 A 54 LEU CA . 30030 1
542 . 1 1 44 44 LEU HA H 1 4.163 0.000 . 1 . . . 1 A 54 LEU HA . 30030 1
543 . 1 1 44 44 LEU CB C 13 42.037 0.000 . 1 . . . 1 A 54 LEU CB . 30030 1
544 . 1 1 44 44 LEU HB2 H 1 1.789 0.000 . 2 . . . 1 A 54 LEU HB2 . 30030 1
545 . 1 1 44 44 LEU HB3 H 1 1.601 0.000 . 2 . . . 1 A 54 LEU HB3 . 30030 1
546 . 1 1 44 44 LEU CG C 13 27.014 0.000 . 1 . . . 1 A 54 LEU CG . 30030 1
547 . 1 1 44 44 LEU HG H 1 1.633 0.000 . 1 . . . 1 A 54 LEU HG . 30030 1
548 . 1 1 44 44 LEU HD11 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD11 . 30030 1
549 . 1 1 44 44 LEU HD12 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD12 . 30030 1
550 . 1 1 44 44 LEU HD13 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD13 . 30030 1
551 . 1 1 44 44 LEU HD21 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD21 . 30030 1
552 . 1 1 44 44 LEU HD22 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD22 . 30030 1
553 . 1 1 44 44 LEU HD23 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD23 . 30030 1
554 . 1 1 44 44 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 54 LEU CD1 . 30030 1
555 . 1 1 44 44 LEU CD2 C 13 23.029 0.000 . 2 . . . 1 A 54 LEU CD2 . 30030 1
556 . 1 1 44 44 LEU C C 13 178.306 0.000 . 1 . . . 1 A 54 LEU C . 30030 1
557 . 1 1 45 45 GLU N N 15 116.902 0.000 . 1 . . . 1 A 55 GLU N . 30030 1
558 . 1 1 45 45 GLU H H 1 7.553 0.000 . 1 . . . 1 A 55 GLU H . 30030 1
559 . 1 1 45 45 GLU CA C 13 56.492 0.000 . 1 . . . 1 A 55 GLU CA . 30030 1
560 . 1 1 45 45 GLU HA H 1 4.147 0.000 . 1 . . . 1 A 55 GLU HA . 30030 1
561 . 1 1 45 45 GLU CB C 13 30.655 0.000 . 1 . . . 1 A 55 GLU CB . 30030 1
562 . 1 1 45 45 GLU HB2 H 1 1.816 0.000 . 2 . . . 1 A 55 GLU HB2 . 30030 1
563 . 1 1 45 45 GLU HB3 H 1 1.710 0.000 . 2 . . . 1 A 55 GLU HB3 . 30030 1
564 . 1 1 45 45 GLU CG C 13 36.412 0.000 . 1 . . . 1 A 55 GLU CG . 30030 1
565 . 1 1 45 45 GLU HG2 H 1 2.212 0.000 . 2 . . . 1 A 55 GLU HG2 . 30030 1
566 . 1 1 45 45 GLU HG3 H 1 2.067 0.000 . 2 . . . 1 A 55 GLU HG3 . 30030 1
567 . 1 1 45 45 GLU C C 13 175.907 0.000 . 1 . . . 1 A 55 GLU C . 30030 1
568 . 1 1 46 46 HIS N N 15 117.411 0.000 . 1 . . . 1 A 56 HIS N . 30030 1
569 . 1 1 46 46 HIS H H 1 7.595 0.000 . 1 . . . 1 A 56 HIS H . 30030 1
570 . 1 1 46 46 HIS CA C 13 55.576 0.000 . 1 . . . 1 A 56 HIS CA . 30030 1
571 . 1 1 46 46 HIS HA H 1 4.415 0.000 . 1 . . . 1 A 56 HIS HA . 30030 1
572 . 1 1 46 46 HIS CB C 13 29.063 0.000 . 1 . . . 1 A 56 HIS CB . 30030 1
573 . 1 1 46 46 HIS HB2 H 1 2.706 0.000 . 2 . . . 1 A 56 HIS HB2 . 30030 1
574 . 1 1 46 46 HIS HB3 H 1 2.218 0.000 . 2 . . . 1 A 56 HIS HB3 . 30030 1
575 . 1 1 46 46 HIS ND1 N 15 192.381 0.000 . 1 . . . 1 A 56 HIS ND1 . 30030 1
576 . 1 1 46 46 HIS CD2 C 13 119.297 0.000 . 1 . . . 1 A 56 HIS CD2 . 30030 1
577 . 1 1 46 46 HIS CE1 C 13 136.704 0.000 . 1 . . . 1 A 56 HIS CE1 . 30030 1
578 . 1 1 46 46 HIS NE2 N 15 176.266 0.000 . 1 . . . 1 A 56 HIS NE2 . 30030 1
579 . 1 1 46 46 HIS HD2 H 1 6.728 0.000 . 1 . . . 1 A 56 HIS HD2 . 30030 1
580 . 1 1 46 46 HIS HE1 H 1 8.316 0.000 . 1 . . . 1 A 56 HIS HE1 . 30030 1
581 . 1 1 46 46 HIS C C 13 173.672 0.000 . 1 . . . 1 A 56 HIS C . 30030 1
582 . 1 1 47 47 GLU N N 15 121.390 0.000 . 1 . . . 1 A 57 GLU N . 30030 1
583 . 1 1 47 47 GLU H H 1 8.072 0.000 . 1 . . . 1 A 57 GLU H . 30030 1
584 . 1 1 47 47 GLU CA C 13 56.352 0.000 . 1 . . . 1 A 57 GLU CA . 30030 1
585 . 1 1 47 47 GLU HA H 1 4.254 0.000 . 1 . . . 1 A 57 GLU HA . 30030 1
586 . 1 1 47 47 GLU CB C 13 30.704 0.000 . 1 . . . 1 A 57 GLU CB . 30030 1
587 . 1 1 47 47 GLU HB2 H 1 1.972 0.000 . 2 . . . 1 A 57 GLU HB2 . 30030 1
588 . 1 1 47 47 GLU HB3 H 1 1.872 0.000 . 2 . . . 1 A 57 GLU HB3 . 30030 1
589 . 1 1 47 47 GLU CG C 13 36.287 0.000 . 1 . . . 1 A 57 GLU CG . 30030 1
590 . 1 1 47 47 GLU HG2 H 1 2.208 0.000 . 2 . . . 1 A 57 GLU HG2 . 30030 1
591 . 1 1 47 47 GLU HG3 H 1 2.158 0.000 . 2 . . . 1 A 57 GLU HG3 . 30030 1
592 . 1 1 47 47 GLU C C 13 176.094 0.000 . 1 . . . 1 A 57 GLU C . 30030 1
593 . 1 1 48 48 GLU N N 15 123.199 0.000 . 1 . . . 1 A 58 GLU N . 30030 1
594 . 1 1 48 48 GLU H H 1 8.494 0.000 . 1 . . . 1 A 58 GLU H . 30030 1
595 . 1 1 48 48 GLU CA C 13 56.511 0.000 . 1 . . . 1 A 58 GLU CA . 30030 1
596 . 1 1 48 48 GLU HA H 1 4.360 0.000 . 1 . . . 1 A 58 GLU HA . 30030 1
597 . 1 1 48 48 GLU CB C 13 30.351 0.000 . 1 . . . 1 A 58 GLU CB . 30030 1
598 . 1 1 48 48 GLU HB2 H 1 2.054 0.000 . 2 . . . 1 A 58 GLU HB2 . 30030 1
599 . 1 1 48 48 GLU HB3 H 1 1.908 0.000 . 2 . . . 1 A 58 GLU HB3 . 30030 1
600 . 1 1 48 48 GLU CG C 13 36.290 0.000 . 1 . . . 1 A 58 GLU CG . 30030 1
601 . 1 1 48 48 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 58 GLU HG2 . 30030 1
602 . 1 1 48 48 GLU HG3 H 1 2.221 0.000 . 2 . . . 1 A 58 GLU HG3 . 30030 1
603 . 1 1 48 48 GLU C C 13 175.512 0.000 . 1 . . . 1 A 58 GLU C . 30030 1
604 . 1 1 49 49 VAL N N 15 125.675 0.000 . 1 . . . 1 A 59 VAL N . 30030 1
605 . 1 1 49 49 VAL H H 1 7.785 0.000 . 1 . . . 1 A 59 VAL H . 30030 1
606 . 1 1 49 49 VAL CA C 13 63.582 0.000 . 1 . . . 1 A 59 VAL CA . 30030 1
607 . 1 1 49 49 VAL HA H 1 4.050 0.000 . 1 . . . 1 A 59 VAL HA . 30030 1
608 . 1 1 49 49 VAL CB C 13 33.290 0.000 . 1 . . . 1 A 59 VAL CB . 30030 1
609 . 1 1 49 49 VAL HB H 1 2.079 0.000 . 1 . . . 1 A 59 VAL HB . 30030 1
610 . 1 1 49 49 VAL HG11 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG11 . 30030 1
611 . 1 1 49 49 VAL HG12 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG12 . 30030 1
612 . 1 1 49 49 VAL HG13 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG13 . 30030 1
613 . 1 1 49 49 VAL HG21 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG21 . 30030 1
614 . 1 1 49 49 VAL HG22 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG22 . 30030 1
615 . 1 1 49 49 VAL HG23 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG23 . 30030 1
616 . 1 1 49 49 VAL CG1 C 13 21.631 0.000 . 2 . . . 1 A 59 VAL CG1 . 30030 1
617 . 1 1 49 49 VAL CG2 C 13 20.107 0.000 . 2 . . . 1 A 59 VAL CG2 . 30030 1
618 . 1 1 49 49 VAL C C 13 181.007 0.000 . 1 . . . 1 A 59 VAL C . 30030 1
stop_
save_