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 53082
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'main list'
_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
1 '2D 1H-15N HSQC' . . . 53082 1
2 '2D 1H-13C HSQC' . . . 53082 1
3 '3D CBCA(CO)NH' . . . 53082 1
4 '3D HNCACB' . . . 53082 1
5 '3D C(CO)NH' . . . 53082 1
6 '3D HNCO' . . . 53082 1
7 '3D HNCA' . . . 53082 1
9 '3D HBHA(CO)NH' . . . 53082 1
10 '3D HN(CO)CA' . . . 53082 1
11 '3D CCH-TOCSY' . . . 53082 1
13 '3D HN(CA)CO' . . . 53082 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 . . 53082 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET CA C 13 55.69083265 0.01956869783 . . . . . . . 1 MET CA . 53082 1
2 . 1 . 1 1 1 MET CB C 13 32.87693424 0 . . . . . . . 1 MET CB . 53082 1
3 . 1 . 1 2 2 LYS H H 1 8.382633979 0.008205836934 . . . . . . . 2 LYS H . 53082 1
4 . 1 . 1 2 2 LYS CA C 13 56.49177475 0 . . . . . . . 2 LYS CA . 53082 1
5 . 1 . 1 2 2 LYS CB C 13 30.35917551 0 . . . . . . . 2 LYS CB . 53082 1
6 . 1 . 1 2 2 LYS N N 15 121.7159004 0 . . . . . . . 2 LYS N . 53082 1
7 . 1 . 1 3 3 SER CA C 13 58.01942723 0 . . . . . . . 3 SER CA . 53082 1
8 . 1 . 1 3 3 SER CB C 13 63.78800964 0 . . . . . . . 3 SER CB . 53082 1
9 . 1 . 1 4 4 ILE H H 1 8.16458481 0.01348122912 . . . . . . . 4 ILE H . 53082 1
10 . 1 . 1 4 4 ILE C C 13 176.4899076 0 . . . . . . . 4 ILE C . 53082 1
11 . 1 . 1 4 4 ILE CA C 13 61.20508863 0.03591559093 . . . . . . . 4 ILE CA . 53082 1
12 . 1 . 1 4 4 ILE CB C 13 38.68540681 0.1544604352 . . . . . . . 4 ILE CB . 53082 1
13 . 1 . 1 4 4 ILE CG1 C 13 27.44166516 0 . . . . . . . 4 ILE CG1 . 53082 1
14 . 1 . 1 4 4 ILE N N 15 122.2196112 0.1098135627 . . . . . . . 4 ILE N . 53082 1
15 . 1 . 1 5 5 GLU H H 1 8.502421067 0.002719536616 . . . . . . . 5 GLU H . 53082 1
16 . 1 . 1 5 5 GLU C C 13 177.1673517 0.0183093006 . . . . . . . 5 GLU C . 53082 1
17 . 1 . 1 5 5 GLU CA C 13 57.2787325 0.1140035134 . . . . . . . 5 GLU CA . 53082 1
18 . 1 . 1 5 5 GLU CB C 13 29.86512256 0.046182083 . . . . . . . 5 GLU CB . 53082 1
19 . 1 . 1 5 5 GLU CG C 13 36.46183097 0 . . . . . . . 5 GLU CG . 53082 1
20 . 1 . 1 5 5 GLU N N 15 124.3660701 0.008245082955 . . . . . . . 5 GLU N . 53082 1
21 . 1 . 1 6 6 SER H H 1 8.113813472 0.002275676915 . . . . . . . 6 SER H . 53082 1
22 . 1 . 1 6 6 SER C C 13 175.3547309 0.0366186011 . . . . . . . 6 SER C . 53082 1
23 . 1 . 1 6 6 SER CA C 13 63.77927847 0.02382600627 . . . . . . . 6 SER CA . 53082 1
24 . 1 . 1 6 6 SER N N 15 114.6669254 0.03306016929 . . . . . . . 6 SER N . 53082 1
25 . 1 . 1 7 7 ILE H H 1 8.303793144 0.006496112239 . . . . . . . 7 ILE H . 53082 1
26 . 1 . 1 7 7 ILE C C 13 176.8482126 0 . . . . . . . 7 ILE C . 53082 1
27 . 1 . 1 7 7 ILE CB C 13 41.42590905 0.05590905202 . . . . . . . 7 ILE CB . 53082 1
28 . 1 . 1 7 7 ILE N N 15 122.3950119 0.06621774265 . . . . . . . 7 ILE N . 53082 1
29 . 1 . 1 10 10 GLN HA H 1 4.250372493 0 . . . . . . . 10 GLN HA . 53082 1
30 . 1 . 1 10 10 GLN HB2 H 1 1.967863443 0 . . . . . . . 10 GLN HB2 . 53082 1
31 . 1 . 1 10 10 GLN HB3 H 1 2.015748249 0 . . . . . . . 10 GLN HB3 . 53082 1
32 . 1 . 1 10 10 GLN CA C 13 56.5071758 0 . . . . . . . 10 GLN CA . 53082 1
33 . 1 . 1 10 10 GLN CB C 13 30.20042314 0 . . . . . . . 10 GLN CB . 53082 1
34 . 1 . 1 10 10 GLN CG C 13 36.54780457 0 . . . . . . . 10 GLN CG . 53082 1
35 . 1 . 1 11 11 ILE H H 1 7.996956025 0.006728468246 . . . . . . . 11 ILE H . 53082 1
36 . 1 . 1 11 11 ILE HA H 1 4.211646076 0.009158388223 . . . . . . . 11 ILE HA . 53082 1
37 . 1 . 1 11 11 ILE HB H 1 1.896036236 0 . . . . . . . 11 ILE HB . 53082 1
38 . 1 . 1 11 11 ILE HG21 H 1 0.8709791125 0.01399924575 . . . . . . . 11 ILE HG2# . 53082 1
39 . 1 . 1 11 11 ILE HG22 H 1 0.8709791125 0.01399924575 . . . . . . . 11 ILE HG2# . 53082 1
40 . 1 . 1 11 11 ILE HG23 H 1 0.8709791125 0.01399924575 . . . . . . . 11 ILE HG2# . 53082 1
41 . 1 . 1 11 11 ILE HD11 H 1 0.84397057 0.007678795514 . . . . . . . 11 ILE HD1# . 53082 1
42 . 1 . 1 11 11 ILE HD12 H 1 0.84397057 0.007678795514 . . . . . . . 11 ILE HD1# . 53082 1
43 . 1 . 1 11 11 ILE HD13 H 1 0.84397057 0.007678795514 . . . . . . . 11 ILE HD1# . 53082 1
44 . 1 . 1 11 11 ILE C C 13 176.4763261 0 . . . . . . . 11 ILE C . 53082 1
45 . 1 . 1 11 11 ILE CA C 13 61.33998159 0.1614931392 . . . . . . . 11 ILE CA . 53082 1
46 . 1 . 1 11 11 ILE CB C 13 38.57819671 0.1024780461 . . . . . . . 11 ILE CB . 53082 1
47 . 1 . 1 11 11 ILE CG1 C 13 27.44127833 0.1114696011 . . . . . . . 11 ILE CG1 . 53082 1
48 . 1 . 1 11 11 ILE CG2 C 13 17.70447889 0.1302263485 . . . . . . . 11 ILE CG2 . 53082 1
49 . 1 . 1 11 11 ILE CD1 C 13 13.444568 0.0335970659 . . . . . . . 11 ILE CD1 . 53082 1
50 . 1 . 1 11 11 ILE N N 15 121.8061832 0.0000033 . . . . . . . 11 ILE N . 53082 1
51 . 1 . 1 12 12 GLU H H 1 8.505308091 0.003099997074 . . . . . . . 12 GLU H . 53082 1
52 . 1 . 1 12 12 GLU HA H 1 4.266334095 0 . . . . . . . 12 GLU HA . 53082 1
53 . 1 . 1 12 12 GLU HB2 H 1 1.616708205 0 . . . . . . . 12 GLU HB2 . 53082 1
54 . 1 . 1 12 12 GLU C C 13 177.2071621 0.03814252403 . . . . . . . 12 GLU C . 53082 1
55 . 1 . 1 12 12 GLU CA C 13 57.23595983 0.1662348811 . . . . . . . 12 GLU CA . 53082 1
56 . 1 . 1 12 12 GLU CB C 13 30.02410442 0.03526374351 . . . . . . . 12 GLU CB . 53082 1
57 . 1 . 1 12 12 GLU CG C 13 36.36809773 0 . . . . . . . 12 GLU CG . 53082 1
58 . 1 . 1 12 12 GLU N N 15 124.6999714 0.0000040 . . . . . . . 12 GLU N . 53082 1
59 . 1 . 1 13 13 PHE H H 1 7.850015009 0.01459374637 . . . . . . . 13 PHE H . 53082 1
60 . 1 . 1 13 13 PHE HA H 1 4.508138869 0.005600053503 . . . . . . . 13 PHE HA . 53082 1
61 . 1 . 1 13 13 PHE HB2 H 1 2.973444354 0 . . . . . . . 13 PHE HB2 . 53082 1
62 . 1 . 1 13 13 PHE HB3 H 1 2.974343213 0.0008988593838 . . . . . . . 13 PHE HB3 . 53082 1
63 . 1 . 1 13 13 PHE CA C 13 56.99074552 0 . . . . . . . 13 PHE CA . 53082 1
64 . 1 . 1 13 13 PHE CB C 13 38.73424907 0 . . . . . . . 13 PHE CB . 53082 1
65 . 1 . 1 13 13 PHE N N 15 119.7924654 0.06944155799 . . . . . . . 13 PHE N . 53082 1
66 . 1 . 1 14 14 TYR H H 1 7.884004024 0.00864814673 . . . . . . . 14 TYR H . 53082 1
67 . 1 . 1 14 14 TYR HD1 H 1 7.050220473 0 . . . . . . . 14 TYR HD# . 53082 1
68 . 1 . 1 14 14 TYR HD2 H 1 7.050220473 0 . . . . . . . 14 TYR HD# . 53082 1
69 . 1 . 1 14 14 TYR N N 15 123.5552098 0.0000023 . . . . . . . 14 TYR N . 53082 1
70 . 1 . 1 15 15 PHE HA H 1 4.351892657 0.01769187028 . . . . . . . 15 PHE HA . 53082 1
71 . 1 . 1 15 15 PHE HB2 H 1 2.687477396 0.02448827776 . . . . . . . 15 PHE HB2 . 53082 1
72 . 1 . 1 15 15 PHE HB3 H 1 3.466413463 0.007382539665 . . . . . . . 15 PHE HB3 . 53082 1
73 . 1 . 1 15 15 PHE HD1 H 1 7.247750482 0.01258844246 . . . . . . . 15 PHE HD# . 53082 1
74 . 1 . 1 15 15 PHE HD2 H 1 7.247750482 0.01258844246 . . . . . . . 15 PHE HD# . 53082 1
75 . 1 . 1 15 15 PHE HE1 H 1 7.071483478 0.00786528265 . . . . . . . 15 PHE HE# . 53082 1
76 . 1 . 1 15 15 PHE HE2 H 1 7.071483478 0.00786528265 . . . . . . . 15 PHE HE# . 53082 1
77 . 1 . 1 15 15 PHE C C 13 173.3229298 0 . . . . . . . 15 PHE C . 53082 1
78 . 1 . 1 15 15 PHE CA C 13 57.98504501 0 . . . . . . . 15 PHE CA . 53082 1
79 . 1 . 1 15 15 PHE CB C 13 41.05197675 0 . . . . . . . 15 PHE CB . 53082 1
80 . 1 . 1 16 16 SER H H 1 7.6333319 0.008770086245 . . . . . . . 16 SER H . 53082 1
81 . 1 . 1 16 16 SER HA H 1 4.304984852 0.01791960473 . . . . . . . 16 SER HA . 53082 1
82 . 1 . 1 16 16 SER HB2 H 1 4.386046108 0 . . . . . . . 16 SER HB2 . 53082 1
83 . 1 . 1 16 16 SER HB3 H 1 4.386046108 0 . . . . . . . 16 SER HB3 . 53082 1
84 . 1 . 1 16 16 SER C C 13 174.1517565 0.02511595789 . . . . . . . 16 SER C . 53082 1
85 . 1 . 1 16 16 SER CA C 13 58.1312955 0.04508360679 . . . . . . . 16 SER CA . 53082 1
86 . 1 . 1 16 16 SER CB C 13 64.58244553 0.003626077938 . . . . . . . 16 SER CB . 53082 1
87 . 1 . 1 16 16 SER N N 15 117.5261581 0.03993837129 . . . . . . . 16 SER N . 53082 1
88 . 1 . 1 17 17 GLU H H 1 9.102958335 0.008291356297 . . . . . . . 17 GLU H . 53082 1
89 . 1 . 1 17 17 GLU HA H 1 3.79140775 0.008196815094 . . . . . . . 17 GLU HA . 53082 1
90 . 1 . 1 17 17 GLU HB2 H 1 2.054934257 0.01667959817 . . . . . . . 17 GLU HB2 . 53082 1
91 . 1 . 1 17 17 GLU HB3 H 1 2.068922777 0.002691078069 . . . . . . . 17 GLU HB3 . 53082 1
92 . 1 . 1 17 17 GLU C C 13 178.597281 0 . . . . . . . 17 GLU C . 53082 1
93 . 1 . 1 17 17 GLU CA C 13 60.45410783 0.01950596242 . . . . . . . 17 GLU CA . 53082 1
94 . 1 . 1 17 17 GLU CB C 13 29.25544012 0.04061077423 . . . . . . . 17 GLU CB . 53082 1
95 . 1 . 1 17 17 GLU CG C 13 37.29029779 0 . . . . . . . 17 GLU CG . 53082 1
96 . 1 . 1 17 17 GLU N N 15 122.4508085 0.02659124715 . . . . . . . 17 GLU N . 53082 1
97 . 1 . 1 18 18 GLU H H 1 8.558178799 0.01859919409 . . . . . . . 18 GLU H . 53082 1
98 . 1 . 1 18 18 GLU HA H 1 3.967783952 0.007948807553 . . . . . . . 18 GLU HA . 53082 1
99 . 1 . 1 18 18 GLU HB2 H 1 1.930099868 0.01012122954 . . . . . . . 18 GLU HB2 . 53082 1
100 . 1 . 1 18 18 GLU HB3 H 1 2.103668043 0.008111785956 . . . . . . . 18 GLU HB3 . 53082 1
101 . 1 . 1 18 18 GLU C C 13 178.8484406 0 . . . . . . . 18 GLU C . 53082 1
102 . 1 . 1 18 18 GLU CA C 13 59.62397422 0.05021487532 . . . . . . . 18 GLU CA . 53082 1
103 . 1 . 1 18 18 GLU CB C 13 29.24356262 0.0524882682 . . . . . . . 18 GLU CB . 53082 1
104 . 1 . 1 18 18 GLU CG C 13 36.30672177 0 . . . . . . . 18 GLU CG . 53082 1
105 . 1 . 1 18 18 GLU N N 15 115.9007973 0.02612278276 . . . . . . . 18 GLU N . 53082 1
106 . 1 . 1 19 19 ASN H H 1 7.484693235 0.0130768022 . . . . . . . 19 ASN H . 53082 1
107 . 1 . 1 19 19 ASN HA H 1 4.397787423 0.02088301087 . . . . . . . 19 ASN HA . 53082 1
108 . 1 . 1 19 19 ASN HB2 H 1 1.547378706 0.00972572916 . . . . . . . 19 ASN HB2 . 53082 1
109 . 1 . 1 19 19 ASN HB3 H 1 2.342093115 0.02044309822 . . . . . . . 19 ASN HB3 . 53082 1
110 . 1 . 1 19 19 ASN HD21 H 1 7.041679454 0.006878308222 . . . . . . . 19 ASN HD21 . 53082 1
111 . 1 . 1 19 19 ASN HD22 H 1 8.052475704 0.00258877117 . . . . . . . 19 ASN HD22 . 53082 1
112 . 1 . 1 19 19 ASN C C 13 177.4921789 0 . . . . . . . 19 ASN C . 53082 1
113 . 1 . 1 19 19 ASN CA C 13 56.8567617 0.1192216057 . . . . . . . 19 ASN CA . 53082 1
114 . 1 . 1 19 19 ASN CB C 13 40.15004985 0.116084195 . . . . . . . 19 ASN CB . 53082 1
115 . 1 . 1 19 19 ASN N N 15 116.5315493 0.03518654668 . . . . . . . 19 ASN N . 53082 1
116 . 1 . 1 19 19 ASN ND2 N 15 114.1291198 0.02488987171 . . . . . . . 19 ASN ND2 . 53082 1
117 . 1 . 1 20 20 LEU H H 1 8.447508133 0.01185252417 . . . . . . . 20 LEU H . 53082 1
118 . 1 . 1 20 20 LEU HA H 1 3.861730178 0.001805307011 . . . . . . . 20 LEU HA . 53082 1
119 . 1 . 1 20 20 LEU HB2 H 1 1.528102632 0.01677836499 . . . . . . . 20 LEU HB2 . 53082 1
120 . 1 . 1 20 20 LEU HB3 H 1 1.544880997 0 . . . . . . . 20 LEU HB3 . 53082 1
121 . 1 . 1 20 20 LEU HD11 H 1 0.6191112839 0.008702850388 . . . . . . . 20 LEU HD1# . 53082 1
122 . 1 . 1 20 20 LEU HD12 H 1 0.6191112839 0.008702850388 . . . . . . . 20 LEU HD1# . 53082 1
123 . 1 . 1 20 20 LEU HD13 H 1 0.6191112839 0.008702850388 . . . . . . . 20 LEU HD1# . 53082 1
124 . 1 . 1 20 20 LEU HD21 H 1 0.3414738904 0.007866306831 . . . . . . . 20 LEU HD2# . 53082 1
125 . 1 . 1 20 20 LEU HD22 H 1 0.3414738904 0.007866306831 . . . . . . . 20 LEU HD2# . 53082 1
126 . 1 . 1 20 20 LEU HD23 H 1 0.3414738904 0.007866306831 . . . . . . . 20 LEU HD2# . 53082 1
127 . 1 . 1 20 20 LEU C C 13 177.4921789 0 . . . . . . . 20 LEU C . 53082 1
128 . 1 . 1 20 20 LEU CA C 13 57.28006283 0.2139501249 . . . . . . . 20 LEU CA . 53082 1
129 . 1 . 1 20 20 LEU CB C 13 41.11573398 0.3440326153 . . . . . . . 20 LEU CB . 53082 1
130 . 1 . 1 20 20 LEU CG C 13 26.17483377 0.2135435731 . . . . . . . 20 LEU CG . 53082 1
131 . 1 . 1 20 20 LEU CD1 C 13 23.67063638 0.07869109191 . . . . . . . 20 LEU CD1 . 53082 1
132 . 1 . 1 20 20 LEU CD2 C 13 25.81012704 0.0004400763949 . . . . . . . 20 LEU CD2 . 53082 1
133 . 1 . 1 20 20 LEU N N 15 116.9472588 0.05668898732 . . . . . . . 20 LEU N . 53082 1
134 . 1 . 1 21 21 LYS H H 1 7.551121567 0.01180184991 . . . . . . . 21 LYS H . 53082 1
135 . 1 . 1 21 21 LYS HA H 1 4.122679679 0 . . . . . . . 21 LYS HA . 53082 1
136 . 1 . 1 21 21 LYS HB2 H 1 1.93309169 0 . . . . . . . 21 LYS HB2 . 53082 1
137 . 1 . 1 21 21 LYS HB3 H 1 1.962047891 0.002165248782 . . . . . . . 21 LYS HB3 . 53082 1
138 . 1 . 1 21 21 LYS HG2 H 1 1.542253364 0.002352912893 . . . . . . . 21 LYS HG2 . 53082 1
139 . 1 . 1 21 21 LYS HG3 H 1 1.734848183 0.002448989384 . . . . . . . 21 LYS HG3 . 53082 1
140 . 1 . 1 21 21 LYS HD2 H 1 1.728156417 0 . . . . . . . 21 LYS HD2 . 53082 1
141 . 1 . 1 21 21 LYS HD3 H 1 1.728156417 0 . . . . . . . 21 LYS HD3 . 53082 1
142 . 1 . 1 21 21 LYS HE2 H 1 2.889796356 0 . . . . . . . 21 LYS HE2 . 53082 1
143 . 1 . 1 21 21 LYS HE3 H 1 2.889796356 0 . . . . . . . 21 LYS HE3 . 53082 1
144 . 1 . 1 21 21 LYS C C 13 178.1218384 0 . . . . . . . 21 LYS C . 53082 1
145 . 1 . 1 21 21 LYS CA C 13 59.2174676 0.09253135911 . . . . . . . 21 LYS CA . 53082 1
146 . 1 . 1 21 21 LYS CB C 13 32.98165738 0.06201667547 . . . . . . . 21 LYS CB . 53082 1
147 . 1 . 1 21 21 LYS CG C 13 25.68433528 0.07487233496 . . . . . . . 21 LYS CG . 53082 1
148 . 1 . 1 21 21 LYS CD C 13 29.45265906 0.07790812118 . . . . . . . 21 LYS CD . 53082 1
149 . 1 . 1 21 21 LYS CE C 13 42.13527279 0.1288385773 . . . . . . . 21 LYS CE . 53082 1
150 . 1 . 1 21 21 LYS N N 15 115.9020483 0.01822116279 . . . . . . . 21 LYS N . 53082 1
151 . 1 . 1 22 22 THR H H 1 7.240747192 0.009273821427 . . . . . . . 22 THR H . 53082 1
152 . 1 . 1 22 22 THR HA H 1 4.627754379 0.006987765344 . . . . . . . 22 THR HA . 53082 1
153 . 1 . 1 22 22 THR HB H 1 4.431813959 0 . . . . . . . 22 THR HB . 53082 1
154 . 1 . 1 22 22 THR HG21 H 1 1.209045809 0 . . . . . . . 22 THR HG2# . 53082 1
155 . 1 . 1 22 22 THR HG22 H 1 1.209045809 0 . . . . . . . 22 THR HG2# . 53082 1
156 . 1 . 1 22 22 THR HG23 H 1 1.209045809 0 . . . . . . . 22 THR HG2# . 53082 1
157 . 1 . 1 22 22 THR C C 13 174.755939 0.07827673114 . . . . . . . 22 THR C . 53082 1
158 . 1 . 1 22 22 THR CA C 13 61.33040067 0.1552885553 . . . . . . . 22 THR CA . 53082 1
159 . 1 . 1 22 22 THR CB C 13 70.35312465 0.07993662977 . . . . . . . 22 THR CB . 53082 1
160 . 1 . 1 22 22 THR CG2 C 13 21.64811485 0.04590466404 . . . . . . . 22 THR CG2 . 53082 1
161 . 1 . 1 22 22 THR N N 15 129.9356295 0.1468954755 . . . . . . . 22 THR N . 53082 1
162 . 1 . 1 23 23 ASP H H 1 8.028437454 0.02664808678 . . . . . . . 23 ASP H . 53082 1
163 . 1 . 1 23 23 ASP HA H 1 4.753162948 0 . . . . . . . 23 ASP HA . 53082 1
164 . 1 . 1 23 23 ASP HB2 H 1 2.542481106 0 . . . . . . . 23 ASP HB2 . 53082 1
165 . 1 . 1 23 23 ASP HB3 H 1 2.84575154 0 . . . . . . . 23 ASP HB3 . 53082 1
166 . 1 . 1 23 23 ASP C C 13 174.8038967 0 . . . . . . . 23 ASP C . 53082 1
167 . 1 . 1 23 23 ASP CA C 13 53.25475206 0.02137641876 . . . . . . . 23 ASP CA . 53082 1
168 . 1 . 1 23 23 ASP CB C 13 39.31099658 0.00000067 . . . . . . . 23 ASP CB . 53082 1
169 . 1 . 1 23 23 ASP N N 15 124.2909737 0.0305870854 . . . . . . . 23 ASP N . 53082 1
170 . 1 . 1 24 24 GLU H H 1 8.141922983 0.01153687395 . . . . . . . 24 GLU H . 53082 1
171 . 1 . 1 24 24 GLU HA H 1 3.859313251 0 . . . . . . . 24 GLU HA . 53082 1
172 . 1 . 1 24 24 GLU HB2 H 1 2.047671452 0 . . . . . . . 24 GLU HB2 . 53082 1
173 . 1 . 1 24 24 GLU HB3 H 1 2.047671452 0 . . . . . . . 24 GLU HB3 . 53082 1
174 . 1 . 1 24 24 GLU C C 13 178.2996587 0.006142409202 . . . . . . . 24 GLU C . 53082 1
175 . 1 . 1 24 24 GLU CA C 13 59.15047688 0.1901343524 . . . . . . . 24 GLU CA . 53082 1
176 . 1 . 1 24 24 GLU CB C 13 29.92399851 0.0373894329 . . . . . . . 24 GLU CB . 53082 1
177 . 1 . 1 24 24 GLU N N 15 125.3078306 0.0761045931 . . . . . . . 24 GLU N . 53082 1
178 . 1 . 1 25 25 PHE H H 1 8.387960026 0.02467374699 . . . . . . . 25 PHE H . 53082 1
179 . 1 . 1 25 25 PHE HB2 H 1 3.091034189 0 . . . . . . . 25 PHE HB2 . 53082 1
180 . 1 . 1 25 25 PHE HB3 H 1 3.091034189 0 . . . . . . . 25 PHE HB3 . 53082 1
181 . 1 . 1 25 25 PHE HD1 H 1 7.139243597 0 . . . . . . . 25 PHE HD# . 53082 1
182 . 1 . 1 25 25 PHE HD2 H 1 7.139243597 0 . . . . . . . 25 PHE HD# . 53082 1
183 . 1 . 1 25 25 PHE C C 13 177.7411916 0 . . . . . . . 25 PHE C . 53082 1
184 . 1 . 1 25 25 PHE CA C 13 61.20100897 0.02785759648 . . . . . . . 25 PHE CA . 53082 1
185 . 1 . 1 25 25 PHE CB C 13 41.25787172 0 . . . . . . . 25 PHE CB . 53082 1
186 . 1 . 1 25 25 PHE N N 15 120.702465 0.1989811634 . . . . . . . 25 PHE N . 53082 1
187 . 1 . 1 26 26 LEU HA H 1 3.563485177 0.0005384412102 . . . . . . . 26 LEU HA . 53082 1
188 . 1 . 1 26 26 LEU HB2 H 1 1.403240212 0.005967170188 . . . . . . . 26 LEU HB2 . 53082 1
189 . 1 . 1 26 26 LEU HB3 H 1 1.409207382 0 . . . . . . . 26 LEU HB3 . 53082 1
190 . 1 . 1 26 26 LEU C C 13 178.5687666 0 . . . . . . . 26 LEU C . 53082 1
191 . 1 . 1 26 26 LEU CA C 13 57.41502947 0 . . . . . . . 26 LEU CA . 53082 1
192 . 1 . 1 27 27 ARG H H 1 7.887104195 0.02043284583 . . . . . . . 27 ARG H . 53082 1
193 . 1 . 1 27 27 ARG HA H 1 3.068908071 0.009379144449 . . . . . . . 27 ARG HA . 53082 1
194 . 1 . 1 27 27 ARG HB2 H 1 1.75238182 0 . . . . . . . 27 ARG HB2 . 53082 1
195 . 1 . 1 27 27 ARG HB3 H 1 1.872093833 0 . . . . . . . 27 ARG HB3 . 53082 1
196 . 1 . 1 27 27 ARG C C 13 179.3351052 0 . . . . . . . 27 ARG C . 53082 1
197 . 1 . 1 27 27 ARG CA C 13 59.37239893 0.03673343069 . . . . . . . 27 ARG CA . 53082 1
198 . 1 . 1 27 27 ARG CB C 13 30.47383993 0.05041745801 . . . . . . . 27 ARG CB . 53082 1
199 . 1 . 1 27 27 ARG N N 15 114.7559331 0.05220785386 . . . . . . . 27 ARG N . 53082 1
200 . 1 . 1 28 28 SER H H 1 7.812088696 0.01209068267 . . . . . . . 28 SER H . 53082 1
201 . 1 . 1 28 28 SER HA H 1 4.282295697 0 . . . . . . . 28 SER HA . 53082 1
202 . 1 . 1 28 28 SER HB2 H 1 3.971044463 0 . . . . . . . 28 SER HB2 . 53082 1
203 . 1 . 1 28 28 SER HB3 H 1 4.010948467 0 . . . . . . . 28 SER HB3 . 53082 1
204 . 1 . 1 28 28 SER C C 13 174.4547384 0 . . . . . . . 28 SER C . 53082 1
205 . 1 . 1 28 28 SER CA C 13 60.77466607 0.04897649185 . . . . . . . 28 SER CA . 53082 1
206 . 1 . 1 28 28 SER CB C 13 63.0671493 0.003691958372 . . . . . . . 28 SER CB . 53082 1
207 . 1 . 1 28 28 SER N N 15 112.9762475 0.033938242 . . . . . . . 28 SER N . 53082 1
208 . 1 . 1 29 29 LYS H H 1 7.422811462 0.009862061688 . . . . . . . 29 LYS H . 53082 1
209 . 1 . 1 29 29 LYS HA H 1 4.25756627 0.02472942732 . . . . . . . 29 LYS HA . 53082 1
210 . 1 . 1 29 29 LYS HB2 H 1 1.983825045 0 . . . . . . . 29 LYS HB2 . 53082 1
211 . 1 . 1 29 29 LYS HB3 H 1 1.983825045 0 . . . . . . . 29 LYS HB3 . 53082 1
212 . 1 . 1 29 29 LYS C C 13 177.3990919 0 . . . . . . . 29 LYS C . 53082 1
213 . 1 . 1 29 29 LYS CA C 13 54.40879713 0.1211394882 . . . . . . . 29 LYS CA . 53082 1
214 . 1 . 1 29 29 LYS CB C 13 31.44335676 0.01975663724 . . . . . . . 29 LYS CB . 53082 1
215 . 1 . 1 29 29 LYS CG C 13 23.65243286 0 . . . . . . . 29 LYS CG . 53082 1
216 . 1 . 1 29 29 LYS N N 15 117.8635504 0.08792347475 . . . . . . . 29 LYS N . 53082 1
217 . 1 . 1 30 30 PHE H H 1 7.554598343 0.009441415886 . . . . . . . 30 PHE H . 53082 1
218 . 1 . 1 30 30 PHE HA H 1 4.641431736 0 . . . . . . . 30 PHE HA . 53082 1
219 . 1 . 1 30 30 PHE HB2 H 1 3.257734268 0.01099971773 . . . . . . . 30 PHE HB2 . 53082 1
220 . 1 . 1 30 30 PHE HB3 H 1 3.268733986 0 . . . . . . . 30 PHE HB3 . 53082 1
221 . 1 . 1 30 30 PHE HD1 H 1 7.19359782 0.01303201931 . . . . . . . 30 PHE HD# . 53082 1
222 . 1 . 1 30 30 PHE HD2 H 1 7.19359782 0.01303201931 . . . . . . . 30 PHE HD# . 53082 1
223 . 1 . 1 30 30 PHE HE1 H 1 7.073865293 0.008086204191 . . . . . . . 30 PHE HE# . 53082 1
224 . 1 . 1 30 30 PHE HE2 H 1 7.073865293 0.008086204191 . . . . . . . 30 PHE HE# . 53082 1
225 . 1 . 1 30 30 PHE C C 13 173.970735 0 . . . . . . . 30 PHE C . 53082 1
226 . 1 . 1 30 30 PHE CA C 13 55.24229637 0.1735706786 . . . . . . . 30 PHE CA . 53082 1
227 . 1 . 1 30 30 PHE CB C 13 37.17358873 0.01735706786 . . . . . . . 30 PHE CB . 53082 1
228 . 1 . 1 30 30 PHE CD1 C 13 130.7534687 0.0000033 . . . . . . . 30 PHE CD# . 53082 1
229 . 1 . 1 30 30 PHE CD2 C 13 130.7534687 0.0000033 . . . . . . . 30 PHE CD# . 53082 1
230 . 1 . 1 30 30 PHE CE1 C 13 128.2778795 0.2137697213 . . . . . . . 30 PHE CE# . 53082 1
231 . 1 . 1 30 30 PHE CE2 C 13 128.2778795 0.2137697213 . . . . . . . 30 PHE CE# . 53082 1
232 . 1 . 1 30 30 PHE N N 15 121.8170262 0.0008755696312 . . . . . . . 30 PHE N . 53082 1
233 . 1 . 1 31 31 LYS H H 1 8.139114383 0.009972048177 . . . . . . . 31 LYS H . 53082 1
234 . 1 . 1 31 31 LYS HA H 1 4.992586975 0 . . . . . . . 31 LYS HA . 53082 1
235 . 1 . 1 31 31 LYS C C 13 177.8830952 0 . . . . . . . 31 LYS C . 53082 1
236 . 1 . 1 31 31 LYS CA C 13 54.06895859 0 . . . . . . . 31 LYS CA . 53082 1
237 . 1 . 1 31 31 LYS CB C 13 34.82344174 0 . . . . . . . 31 LYS CB . 53082 1
238 . 1 . 1 31 31 LYS CG C 13 24.82577065 0 . . . . . . . 31 LYS CG . 53082 1
239 . 1 . 1 31 31 LYS N N 15 122.1286591 0.03825915797 . . . . . . . 31 LYS N . 53082 1
240 . 1 . 1 32 32 LYS H H 1 9.704840505 0.008577932303 . . . . . . . 32 LYS H . 53082 1
241 . 1 . 1 32 32 LYS HA H 1 4.274314896 0 . . . . . . . 32 LYS HA . 53082 1
242 . 1 . 1 32 32 LYS HB2 H 1 2.063633054 0 . . . . . . . 32 LYS HB2 . 53082 1
243 . 1 . 1 32 32 LYS HB3 H 1 2.063633054 0 . . . . . . . 32 LYS HB3 . 53082 1
244 . 1 . 1 32 32 LYS C C 13 179.9199426 0.02016680497 . . . . . . . 32 LYS C . 53082 1
245 . 1 . 1 32 32 LYS CA C 13 59.73430554 0 . . . . . . . 32 LYS CA . 53082 1
246 . 1 . 1 32 32 LYS CB C 13 32.07408219 0 . . . . . . . 32 LYS CB . 53082 1
247 . 1 . 1 32 32 LYS CG C 13 25.57559598 0 . . . . . . . 32 LYS CG . 53082 1
248 . 1 . 1 32 32 LYS N N 15 127.7712545 0.01489125473 . . . . . . . 32 LYS N . 53082 1
249 . 1 . 1 33 33 ALA H H 1 9.06603706 0.00381854004 . . . . . . . 33 ALA H . 53082 1
250 . 1 . 1 33 33 ALA HA H 1 4.106718078 0 . . . . . . . 33 ALA HA . 53082 1
251 . 1 . 1 33 33 ALA HB1 H 1 1.329903896 0.01283404881 . . . . . . . 33 ALA HB# . 53082 1
252 . 1 . 1 33 33 ALA HB2 H 1 1.329903896 0.01283404881 . . . . . . . 33 ALA HB# . 53082 1
253 . 1 . 1 33 33 ALA HB3 H 1 1.329903896 0.01283404881 . . . . . . . 33 ALA HB# . 53082 1
254 . 1 . 1 33 33 ALA C C 13 177.6209268 0.02016680533 . . . . . . . 33 ALA C . 53082 1
255 . 1 . 1 33 33 ALA CA C 13 54.53339905 0.21164781 . . . . . . . 33 ALA CA . 53082 1
256 . 1 . 1 33 33 ALA CB C 13 18.66734809 0.07310950342 . . . . . . . 33 ALA CB . 53082 1
257 . 1 . 1 33 33 ALA N N 15 121.4090155 0.02135308326 . . . . . . . 33 ALA N . 53082 1
258 . 1 . 1 34 34 ASN H H 1 6.80746598 0.009475416443 . . . . . . . 34 ASN H . 53082 1
259 . 1 . 1 34 34 ASN HA H 1 5.072959346 0.007684902639 . . . . . . . 34 ASN HA . 53082 1
260 . 1 . 1 34 34 ASN HB2 H 1 2.260387108 0.001914159642 . . . . . . . 34 ASN HB2 . 53082 1
261 . 1 . 1 34 34 ASN HB3 H 1 3.032880376 0 . . . . . . . 34 ASN HB3 . 53082 1
262 . 1 . 1 34 34 ASN C C 13 174.1320695 0.04033361021 . . . . . . . 34 ASN C . 53082 1
263 . 1 . 1 34 34 ASN CA C 13 51.94940301 0.0887985018 . . . . . . . 34 ASN CA . 53082 1
264 . 1 . 1 34 34 ASN CB C 13 40.36065907 0.06254665608 . . . . . . . 34 ASN CB . 53082 1
265 . 1 . 1 34 34 ASN N N 15 111.4879241 0.04495489076 . . . . . . . 34 ASN N . 53082 1
266 . 1 . 1 35 35 ASP H H 1 8.122853745 0.01577259017 . . . . . . . 35 ASP H . 53082 1
267 . 1 . 1 35 35 ASP HB2 H 1 2.518538704 0 . . . . . . . 35 ASP HB2 . 53082 1
268 . 1 . 1 35 35 ASP HB3 H 1 2.782029039 0.008104707576 . . . . . . . 35 ASP HB3 . 53082 1
269 . 1 . 1 35 35 ASP C C 13 172.8212271 0.02016680515 . . . . . . . 35 ASP C . 53082 1
270 . 1 . 1 35 35 ASP CA C 13 54.86877227 0 . . . . . . . 35 ASP CA . 53082 1
271 . 1 . 1 35 35 ASP CB C 13 40.4721259 0 . . . . . . . 35 ASP CB . 53082 1
272 . 1 . 1 35 35 ASP N N 15 120.5435648 0.02029566764 . . . . . . . 35 ASP N . 53082 1
273 . 1 . 1 36 36 GLY H H 1 6.867636497 0.007276028699 . . . . . . . 36 GLY H . 53082 1
274 . 1 . 1 36 36 GLY HA2 H 1 2.332406352 0.002573932096 . . . . . . . 36 GLY HA2 . 53082 1
275 . 1 . 1 36 36 GLY C C 13 172.3244039 0.07332031707 . . . . . . . 36 GLY C . 53082 1
276 . 1 . 1 36 36 GLY CA C 13 45.3043336 0.09425894697 . . . . . . . 36 GLY CA . 53082 1
277 . 1 . 1 36 36 GLY N N 15 123.8298508 0.03185117815 . . . . . . . 36 GLY N . 53082 1
278 . 1 . 1 37 37 PHE H H 1 7.087868103 0.005497780711 . . . . . . . 37 PHE H . 53082 1
279 . 1 . 1 37 37 PHE HB2 H 1 3.016138606 0.005695421973 . . . . . . . 37 PHE HB2 . 53082 1
280 . 1 . 1 37 37 PHE HD1 H 1 6.796774743 0.01518307978 . . . . . . . 37 PHE HD# . 53082 1
281 . 1 . 1 37 37 PHE HD2 H 1 6.796774743 0.01518307978 . . . . . . . 37 PHE HD# . 53082 1
282 . 1 . 1 37 37 PHE C C 13 176.7128573 0 . . . . . . . 37 PHE C . 53082 1
283 . 1 . 1 37 37 PHE CA C 13 60.71740986 0.1499650663 . . . . . . . 37 PHE CA . 53082 1
284 . 1 . 1 37 37 PHE CB C 13 40.9220211 0.04998835544 . . . . . . . 37 PHE CB . 53082 1
285 . 1 . 1 37 37 PHE N N 15 115.5224102 0.06519718701 . . . . . . . 37 PHE N . 53082 1
286 . 1 . 1 38 38 ILE H H 1 9.041910252 0.0106135948 . . . . . . . 38 ILE H . 53082 1
287 . 1 . 1 38 38 ILE HA H 1 5.048483225 0.01267355752 . . . . . . . 38 ILE HA . 53082 1
288 . 1 . 1 38 38 ILE HB H 1 2.048983061 0 . . . . . . . 38 ILE HB . 53082 1
289 . 1 . 1 38 38 ILE HG12 H 1 1.432381401 0.02125555686 . . . . . . . 38 ILE HG12 . 53082 1
290 . 1 . 1 38 38 ILE HG13 H 1 1.798358031 0.01019298785 . . . . . . . 38 ILE HG13 . 53082 1
291 . 1 . 1 38 38 ILE HG21 H 1 1.121304207 0.007927088965 . . . . . . . 38 ILE HG2# . 53082 1
292 . 1 . 1 38 38 ILE HG22 H 1 1.121304207 0.007927088965 . . . . . . . 38 ILE HG2# . 53082 1
293 . 1 . 1 38 38 ILE HG23 H 1 1.121304207 0.007927088965 . . . . . . . 38 ILE HG2# . 53082 1
294 . 1 . 1 38 38 ILE HD11 H 1 0.8975661746 0.01160588359 . . . . . . . 38 ILE HD1# . 53082 1
295 . 1 . 1 38 38 ILE HD12 H 1 0.8975661746 0.01160588359 . . . . . . . 38 ILE HD1# . 53082 1
296 . 1 . 1 38 38 ILE HD13 H 1 0.8975661746 0.01160588359 . . . . . . . 38 ILE HD1# . 53082 1
297 . 1 . 1 38 38 ILE CA C 13 57.51577409 0.2267685716 . . . . . . . 38 ILE CA . 53082 1
298 . 1 . 1 38 38 ILE CB C 13 41.35391428 0.117392507 . . . . . . . 38 ILE CB . 53082 1
299 . 1 . 1 38 38 ILE CG1 C 13 26.4672321 0.07848301185 . . . . . . . 38 ILE CG1 . 53082 1
300 . 1 . 1 38 38 ILE CG2 C 13 18.11021129 0.1067912441 . . . . . . . 38 ILE CG2 . 53082 1
301 . 1 . 1 38 38 ILE CD1 C 13 14.85950168 0.1004010223 . . . . . . . 38 ILE CD1 . 53082 1
302 . 1 . 1 38 38 ILE N N 15 117.1465775 0.1072537403 . . . . . . . 38 ILE N . 53082 1
303 . 1 . 1 39 39 PRO HA H 1 4.019911597 0.01063053837 . . . . . . . 39 PRO HA . 53082 1
304 . 1 . 1 39 39 PRO HB2 H 1 1.746879929 0.001572358032 . . . . . . . 39 PRO HB2 . 53082 1
305 . 1 . 1 39 39 PRO HB3 H 1 1.805806656 0.00333547508 . . . . . . . 39 PRO HB3 . 53082 1
306 . 1 . 1 39 39 PRO HD2 H 1 3.692164334 0.009520038261 . . . . . . . 39 PRO HD2 . 53082 1
307 . 1 . 1 39 39 PRO HD3 H 1 3.88858495 0.009810343237 . . . . . . . 39 PRO HD3 . 53082 1
308 . 1 . 1 39 39 PRO CA C 13 62.50997121 0.1004869544 . . . . . . . 39 PRO CA . 53082 1
309 . 1 . 1 39 39 PRO CB C 13 31.32208739 0.06942895848 . . . . . . . 39 PRO CB . 53082 1
310 . 1 . 1 39 39 PRO CG C 13 27.58581029 0.08029646499 . . . . . . . 39 PRO CG . 53082 1
311 . 1 . 1 39 39 PRO CD C 13 51.15034115 0.2722781837 . . . . . . . 39 PRO CD . 53082 1
312 . 1 . 1 40 40 MET HE1 H 1 1.897341992 0.002494412761 . . . . . . . 40 MET HE# . 53082 1
313 . 1 . 1 40 40 MET HE2 H 1 1.897341992 0.002494412761 . . . . . . . 40 MET HE# . 53082 1
314 . 1 . 1 40 40 MET HE3 H 1 1.897341992 0.002494412761 . . . . . . . 40 MET HE# . 53082 1
315 . 1 . 1 40 40 MET CE C 13 16.65824961 0 . . . . . . . 40 MET CE . 53082 1
316 . 1 . 1 42 42 LEU CA C 13 54.06349631 0 . . . . . . . 42 LEU CA . 53082 1
317 . 1 . 1 42 42 LEU CB C 13 41.84130207 0 . . . . . . . 42 LEU CB . 53082 1
318 . 1 . 1 42 42 LEU CG C 13 26.74511849 0 . . . . . . . 42 LEU CG . 53082 1
319 . 1 . 1 42 42 LEU CD2 C 13 23.68306557 0 . . . . . . . 42 LEU CD2 . 53082 1
320 . 1 . 1 43 43 ILE H H 1 7.554887321 0.003496237541 . . . . . . . 43 ILE H . 53082 1
321 . 1 . 1 43 43 ILE CA C 13 57.07858024 0 . . . . . . . 43 ILE CA . 53082 1
322 . 1 . 1 43 43 ILE CB C 13 40.23728917 0 . . . . . . . 43 ILE CB . 53082 1
323 . 1 . 1 43 43 ILE N N 15 120.7027518 0.04309707347 . . . . . . . 43 ILE N . 53082 1
324 . 1 . 1 49 49 MET H H 1 9.053058381 0.006638951132 . . . . . . . 49 MET H . 53082 1
325 . 1 . 1 49 49 MET HE1 H 1 1.80813185 0.002439870149 . . . . . . . 49 MET HE# . 53082 1
326 . 1 . 1 49 49 MET HE2 H 1 1.80813185 0.002439870149 . . . . . . . 49 MET HE# . 53082 1
327 . 1 . 1 49 49 MET HE3 H 1 1.80813185 0.002439870149 . . . . . . . 49 MET HE# . 53082 1
328 . 1 . 1 49 49 MET CA C 13 55.35596978 0 . . . . . . . 49 MET CA . 53082 1
329 . 1 . 1 49 49 MET CE C 13 14.60035684 0.0255487025 . . . . . . . 49 MET CE . 53082 1
330 . 1 . 1 49 49 MET N N 15 123.8760681 0.004508176361 . . . . . . . 49 MET N . 53082 1
331 . 1 . 1 50 50 VAL HB H 1 2.131695375 0 . . . . . . . 50 VAL HB . 53082 1
332 . 1 . 1 50 50 VAL HG11 H 1 0.8321735833 0 . . . . . . . 50 VAL HG1# . 53082 1
333 . 1 . 1 50 50 VAL HG12 H 1 0.8321735833 0 . . . . . . . 50 VAL HG1# . 53082 1
334 . 1 . 1 50 50 VAL HG13 H 1 0.8321735833 0 . . . . . . . 50 VAL HG1# . 53082 1
335 . 1 . 1 50 50 VAL CA C 13 65.27763838 0.05577356144 . . . . . . . 50 VAL CA . 53082 1
336 . 1 . 1 50 50 VAL CB C 13 37.09490184 0.004901842593 . . . . . . . 50 VAL CB . 53082 1
337 . 1 . 1 50 50 VAL CG1 C 13 18.95968469 0 . . . . . . . 50 VAL CG1 . 53082 1
338 . 1 . 1 54 54 LEU HA H 1 4.409988511 0 . . . . . . . 54 LEU HA . 53082 1
339 . 1 . 1 54 54 LEU HB2 H 1 1.576804201 0 . . . . . . . 54 LEU HB2 . 53082 1
340 . 1 . 1 54 54 LEU HB3 H 1 1.672573811 0 . . . . . . . 54 LEU HB3 . 53082 1
341 . 1 . 1 54 54 LEU C C 13 177.4130328 0 . . . . . . . 54 LEU C . 53082 1
342 . 1 . 1 54 54 LEU CA C 13 54.81947882 0 . . . . . . . 54 LEU CA . 53082 1
343 . 1 . 1 54 54 LEU CB C 13 42.52713312 0 . . . . . . . 54 LEU CB . 53082 1
344 . 1 . 1 54 54 LEU CG C 13 26.99995961 0 . . . . . . . 54 LEU CG . 53082 1
345 . 1 . 1 54 54 LEU CD1 C 13 23.50988492 0 . . . . . . . 54 LEU CD1 . 53082 1
346 . 1 . 1 54 54 LEU CD2 C 13 25.36262701 0 . . . . . . . 54 LEU CD2 . 53082 1
347 . 1 . 1 55 55 GLY H H 1 8.355087914 0.004875717051 . . . . . . . 55 GLY H . 53082 1
348 . 1 . 1 55 55 GLY C C 13 172.2237462 0 . . . . . . . 55 GLY C . 53082 1
349 . 1 . 1 55 55 GLY CA C 13 44.7106419 0 . . . . . . . 55 GLY CA . 53082 1
350 . 1 . 1 55 55 GLY N N 15 110.1136703 0.04810397059 . . . . . . . 55 GLY N . 53082 1
351 . 1 . 1 62 62 LEU HA H 1 3.947570692 0.007609072521 . . . . . . . 62 LEU HA . 53082 1
352 . 1 . 1 62 62 LEU HD11 H 1 0.3682772038 0.001703830202 . . . . . . . 62 LEU HD1# . 53082 1
353 . 1 . 1 62 62 LEU HD12 H 1 0.3682772038 0.001703830202 . . . . . . . 62 LEU HD1# . 53082 1
354 . 1 . 1 62 62 LEU HD13 H 1 0.3682772038 0.001703830202 . . . . . . . 62 LEU HD1# . 53082 1
355 . 1 . 1 62 62 LEU HD21 H 1 0.1692443297 0.01172181689 . . . . . . . 62 LEU HD2# . 53082 1
356 . 1 . 1 62 62 LEU HD22 H 1 0.1692443297 0.01172181689 . . . . . . . 62 LEU HD2# . 53082 1
357 . 1 . 1 62 62 LEU HD23 H 1 0.1692443297 0.01172181689 . . . . . . . 62 LEU HD2# . 53082 1
358 . 1 . 1 62 62 LEU C C 13 178.8548046 0 . . . . . . . 62 LEU C . 53082 1
359 . 1 . 1 62 62 LEU CA C 13 58.48789371 0.1692630438 . . . . . . . 62 LEU CA . 53082 1
360 . 1 . 1 62 62 LEU CB C 13 41.01787992 0.1506968787 . . . . . . . 62 LEU CB . 53082 1
361 . 1 . 1 62 62 LEU CG C 13 27.39082027 0 . . . . . . . 62 LEU CG . 53082 1
362 . 1 . 1 62 62 LEU CD1 C 13 24.67551573 0.01138345085 . . . . . . . 62 LEU CD1 . 53082 1
363 . 1 . 1 62 62 LEU CD2 C 13 23.3876678 0 . . . . . . . 62 LEU CD2 . 53082 1
364 . 1 . 1 63 63 ALA H H 1 7.780757333 0.003607546456 . . . . . . . 63 ALA H . 53082 1
365 . 1 . 1 63 63 ALA HA H 1 4.067654433 0 . . . . . . . 63 ALA HA . 53082 1
366 . 1 . 1 63 63 ALA HB1 H 1 1.550600358 0.003101799717 . . . . . . . 63 ALA HB# . 53082 1
367 . 1 . 1 63 63 ALA HB2 H 1 1.550600358 0.003101799717 . . . . . . . 63 ALA HB# . 53082 1
368 . 1 . 1 63 63 ALA HB3 H 1 1.550600358 0.003101799717 . . . . . . . 63 ALA HB# . 53082 1
369 . 1 . 1 63 63 ALA C C 13 181.0949441 0.04392430388 . . . . . . . 63 ALA C . 53082 1
370 . 1 . 1 63 63 ALA CA C 13 55.00870275 0.02845006112 . . . . . . . 63 ALA CA . 53082 1
371 . 1 . 1 63 63 ALA CB C 13 18.34526118 0.08133339142 . . . . . . . 63 ALA CB . 53082 1
372 . 1 . 1 63 63 ALA N N 15 120.023993 0.0000019 . . . . . . . 63 ALA N . 53082 1
373 . 1 . 1 64 64 SER H H 1 7.898978901 0.009727049897 . . . . . . . 64 SER H . 53082 1
374 . 1 . 1 64 64 SER CA C 13 55.41949573 0 . . . . . . . 64 SER CA . 53082 1
375 . 1 . 1 64 64 SER CB C 13 62.34625213 0.174339406 . . . . . . . 64 SER CB . 53082 1
376 . 1 . 1 64 64 SER N N 15 116.2725561 0.003268149352 . . . . . . . 64 SER N . 53082 1
377 . 1 . 1 65 65 MET H H 1 8.327199051 0.00729031057 . . . . . . . 65 MET H . 53082 1
378 . 1 . 1 65 65 MET HE1 H 1 1.453867997 0.004663736793 . . . . . . . 65 MET HE# . 53082 1
379 . 1 . 1 65 65 MET HE2 H 1 1.453867997 0.004663736793 . . . . . . . 65 MET HE# . 53082 1
380 . 1 . 1 65 65 MET HE3 H 1 1.453867997 0.004663736793 . . . . . . . 65 MET HE# . 53082 1
381 . 1 . 1 65 65 MET CE C 13 15.66865058 0.08940388237 . . . . . . . 65 MET CE . 53082 1
382 . 1 . 1 65 65 MET N N 15 122.946411 0.05518199907 . . . . . . . 65 MET N . 53082 1
383 . 1 . 1 68 68 VAL HA H 1 3.359321794 0.009514778353 . . . . . . . 68 VAL HA . 53082 1
384 . 1 . 1 68 68 VAL HB H 1 2.410250497 0.01335895662 . . . . . . . 68 VAL HB . 53082 1
385 . 1 . 1 68 68 VAL HG11 H 1 1.01962141 0.002349105582 . . . . . . . 68 VAL HG1# . 53082 1
386 . 1 . 1 68 68 VAL HG12 H 1 1.01962141 0.002349105582 . . . . . . . 68 VAL HG1# . 53082 1
387 . 1 . 1 68 68 VAL HG13 H 1 1.01962141 0.002349105582 . . . . . . . 68 VAL HG1# . 53082 1
388 . 1 . 1 68 68 VAL HG21 H 1 0.882674195 0.001364625236 . . . . . . . 68 VAL HG2# . 53082 1
389 . 1 . 1 68 68 VAL HG22 H 1 0.882674195 0.001364625236 . . . . . . . 68 VAL HG2# . 53082 1
390 . 1 . 1 68 68 VAL HG23 H 1 0.882674195 0.001364625236 . . . . . . . 68 VAL HG2# . 53082 1
391 . 1 . 1 68 68 VAL C C 13 179.1544108 0 . . . . . . . 68 VAL C . 53082 1
392 . 1 . 1 68 68 VAL CA C 13 67.10876612 0.1563886918 . . . . . . . 68 VAL CA . 53082 1
393 . 1 . 1 68 68 VAL CB C 13 31.53856706 0.06288650295 . . . . . . . 68 VAL CB . 53082 1
394 . 1 . 1 68 68 VAL CG1 C 13 24.06500498 0.04427007973 . . . . . . . 68 VAL CG1 . 53082 1
395 . 1 . 1 68 68 VAL CG2 C 13 22.48912063 0.03663500772 . . . . . . . 68 VAL CG2 . 53082 1
396 . 1 . 1 69 69 LEU H H 1 7.883149026 0.01562407354 . . . . . . . 69 LEU H . 53082 1
397 . 1 . 1 69 69 LEU HA H 1 4.482656079 0 . . . . . . . 69 LEU HA . 53082 1
398 . 1 . 1 69 69 LEU HD11 H 1 0.9320460857 0.0192243397 . . . . . . . 69 LEU HD1# . 53082 1
399 . 1 . 1 69 69 LEU HD12 H 1 0.9320460857 0.0192243397 . . . . . . . 69 LEU HD1# . 53082 1
400 . 1 . 1 69 69 LEU HD13 H 1 0.9320460857 0.0192243397 . . . . . . . 69 LEU HD1# . 53082 1
401 . 1 . 1 69 69 LEU HD21 H 1 0.745329654 0.001661739772 . . . . . . . 69 LEU HD2# . 53082 1
402 . 1 . 1 69 69 LEU HD22 H 1 0.745329654 0.001661739772 . . . . . . . 69 LEU HD2# . 53082 1
403 . 1 . 1 69 69 LEU HD23 H 1 0.745329654 0.001661739772 . . . . . . . 69 LEU HD2# . 53082 1
404 . 1 . 1 69 69 LEU C C 13 179.4856741 0.04020184724 . . . . . . . 69 LEU C . 53082 1
405 . 1 . 1 69 69 LEU CA C 13 57.02804987 0.06638582889 . . . . . . . 69 LEU CA . 53082 1
406 . 1 . 1 69 69 LEU CB C 13 42.68625035 0.1295074294 . . . . . . . 69 LEU CB . 53082 1
407 . 1 . 1 69 69 LEU CD1 C 13 23.64966671 0 . . . . . . . 69 LEU CD1 . 53082 1
408 . 1 . 1 69 69 LEU CD2 C 13 25.82108504 0.08780962841 . . . . . . . 69 LEU CD2 . 53082 1
409 . 1 . 1 69 69 LEU N N 15 118.9639436 0.1902342348 . . . . . . . 69 LEU N . 53082 1
410 . 1 . 1 70 70 GLN H H 1 7.907388351 0.004617537584 . . . . . . . 70 GLN H . 53082 1
411 . 1 . 1 70 70 GLN HA H 1 4.134406097 0.01686715967 . . . . . . . 70 GLN HA . 53082 1
412 . 1 . 1 70 70 GLN HB2 H 1 2.048511812 0 . . . . . . . 70 GLN HB2 . 53082 1
413 . 1 . 1 70 70 GLN HB3 H 1 2.048511812 0 . . . . . . . 70 GLN HB3 . 53082 1
414 . 1 . 1 70 70 GLN HE21 H 1 6.977824608 0.001225419515 . . . . . . . 70 GLN HE21 . 53082 1
415 . 1 . 1 70 70 GLN HE22 H 1 7.255177891 0.001155336601 . . . . . . . 70 GLN HE22 . 53082 1
416 . 1 . 1 70 70 GLN C C 13 176.7101385 0.02572918219 . . . . . . . 70 GLN C . 53082 1
417 . 1 . 1 70 70 GLN CA C 13 57.03872292 0 . . . . . . . 70 GLN CA . 53082 1
418 . 1 . 1 70 70 GLN CB C 13 28.21650832 0 . . . . . . . 70 GLN CB . 53082 1
419 . 1 . 1 70 70 GLN CG C 13 33.72187515 0 . . . . . . . 70 GLN CG . 53082 1
420 . 1 . 1 70 70 GLN N N 15 117.1600069 0.03307606982 . . . . . . . 70 GLN N . 53082 1
421 . 1 . 1 70 70 GLN NE2 N 15 112.3596617 0 . . . . . . . 70 GLN NE2 . 53082 1
422 . 1 . 1 71 71 HIS H H 1 7.505925978 0.004193370297 . . . . . . . 71 HIS H . 53082 1
423 . 1 . 1 71 71 HIS HA H 1 4.969484932 0 . . . . . . . 71 HIS HA . 53082 1
424 . 1 . 1 71 71 HIS HB2 H 1 2.718899086 0 . . . . . . . 71 HIS HB2 . 53082 1
425 . 1 . 1 71 71 HIS HB3 H 1 3.700537593 0 . . . . . . . 71 HIS HB3 . 53082 1
426 . 1 . 1 71 71 HIS C C 13 175.0120125 0.02572918219 . . . . . . . 71 HIS C . 53082 1
427 . 1 . 1 71 71 HIS CA C 13 55.54903543 0 . . . . . . . 71 HIS CA . 53082 1
428 . 1 . 1 71 71 HIS CB C 13 30.22434799 0.06476902159 . . . . . . . 71 HIS CB . 53082 1
429 . 1 . 1 71 71 HIS N N 15 117.0417468 0.04985146062 . . . . . . . 71 HIS N . 53082 1
430 . 1 . 1 72 72 LYS H H 1 7.420028042 0.003021667321 . . . . . . . 72 LYS H . 53082 1
431 . 1 . 1 72 72 LYS HA H 1 4.705590124 0.007452421976 . . . . . . . 72 LYS HA . 53082 1
432 . 1 . 1 72 72 LYS HB2 H 1 1.864953392 0 . . . . . . . 72 LYS HB2 . 53082 1
433 . 1 . 1 72 72 LYS HB3 H 1 2.399667051 0 . . . . . . . 72 LYS HB3 . 53082 1
434 . 1 . 1 72 72 LYS C C 13 178.5883688 0.05145836442 . . . . . . . 72 LYS C . 53082 1
435 . 1 . 1 72 72 LYS CA C 13 59.31888738 0.05152031893 . . . . . . . 72 LYS CA . 53082 1
436 . 1 . 1 72 72 LYS CB C 13 32.4304463 0.06872059997 . . . . . . . 72 LYS CB . 53082 1
437 . 1 . 1 72 72 LYS CG C 13 24.00774388 0 . . . . . . . 72 LYS CG . 53082 1
438 . 1 . 1 72 72 LYS N N 15 123.8652922 0.009463112306 . . . . . . . 72 LYS N . 53082 1
439 . 1 . 1 73 73 GLU H H 1 8.877130165 0.007503022806 . . . . . . . 73 GLU H . 53082 1
440 . 1 . 1 73 73 GLU HA H 1 4.011788827 0 . . . . . . . 73 GLU HA . 53082 1
441 . 1 . 1 73 73 GLU HB2 H 1 2.040531011 0 . . . . . . . 73 GLU HB2 . 53082 1
442 . 1 . 1 73 73 GLU HB3 H 1 2.040531011 0 . . . . . . . 73 GLU HB3 . 53082 1
443 . 1 . 1 73 73 GLU C C 13 176.7358677 0 . . . . . . . 73 GLU C . 53082 1
444 . 1 . 1 73 73 GLU CA C 13 59.0623515 0.04327416832 . . . . . . . 73 GLU CA . 53082 1
445 . 1 . 1 73 73 GLU CB C 13 29.30477443 0.04043534768 . . . . . . . 73 GLU CB . 53082 1
446 . 1 . 1 73 73 GLU CG C 13 36.78531375 0 . . . . . . . 73 GLU CG . 53082 1
447 . 1 . 1 73 73 GLU N N 15 117.7678381 0.00819424044 . . . . . . . 73 GLU N . 53082 1
448 . 1 . 1 74 74 THR H H 1 7.735944634 0.01114248519 . . . . . . . 74 THR H . 53082 1
449 . 1 . 1 74 74 THR HA H 1 4.40200771 0 . . . . . . . 74 THR HA . 53082 1
450 . 1 . 1 74 74 THR HB H 1 4.204705402 0.002217713971 . . . . . . . 74 THR HB . 53082 1
451 . 1 . 1 74 74 THR HG21 H 1 1.210692844 0.00440347468 . . . . . . . 74 THR HG2# . 53082 1
452 . 1 . 1 74 74 THR HG22 H 1 1.210692844 0.00440347468 . . . . . . . 74 THR HG2# . 53082 1
453 . 1 . 1 74 74 THR HG23 H 1 1.210692844 0.00440347468 . . . . . . . 74 THR HG2# . 53082 1
454 . 1 . 1 74 74 THR C C 13 175.3464919 0 . . . . . . . 74 THR C . 53082 1
455 . 1 . 1 74 74 THR CA C 13 62.84885625 0.2474775643 . . . . . . . 74 THR CA . 53082 1
456 . 1 . 1 74 74 THR CB C 13 69.33800575 0.1629229507 . . . . . . . 74 THR CB . 53082 1
457 . 1 . 1 74 74 THR CG2 C 13 21.83446583 0.2127290954 . . . . . . . 74 THR CG2 . 53082 1
458 . 1 . 1 74 74 THR N N 15 108.0031065 0.08797292382 . . . . . . . 74 THR N . 53082 1
459 . 1 . 1 75 75 ASN H H 1 8.250603874 0.01446136974 . . . . . . . 75 ASN H . 53082 1
460 . 1 . 1 75 75 ASN HA H 1 4.633450935 0 . . . . . . . 75 ASN HA . 53082 1
461 . 1 . 1 75 75 ASN HB2 H 1 2.691178432 0.02822962201 . . . . . . . 75 ASN HB2 . 53082 1
462 . 1 . 1 75 75 ASN HB3 H 1 2.902823133 0.006774813917 . . . . . . . 75 ASN HB3 . 53082 1
463 . 1 . 1 75 75 ASN HD21 H 1 6.964144371 0 . . . . . . . 75 ASN HD21 . 53082 1
464 . 1 . 1 75 75 ASN HD22 H 1 7.677527853 0 . . . . . . . 75 ASN HD22 . 53082 1
465 . 1 . 1 75 75 ASN C C 13 175.9984995 0.06840949999 . . . . . . . 75 ASN C . 53082 1
466 . 1 . 1 75 75 ASN CA C 13 53.63887198 0.1292877998 . . . . . . . 75 ASN CA . 53082 1
467 . 1 . 1 75 75 ASN CB C 13 38.08500449 0.005759609841 . . . . . . . 75 ASN CB . 53082 1
468 . 1 . 1 75 75 ASN N N 15 117.7377023 0.02857756708 . . . . . . . 75 ASN N . 53082 1
469 . 1 . 1 75 75 ASN ND2 N 15 113.2617957 0 . . . . . . . 75 ASN ND2 . 53082 1
470 . 1 . 1 76 76 HIS H H 1 8.442612739 0.00596473366 . . . . . . . 76 HIS H . 53082 1
471 . 1 . 1 76 76 HIS HA H 1 4.21844929 0 . . . . . . . 76 HIS HA . 53082 1
472 . 1 . 1 76 76 HIS HB2 H 1 3.460273207 0 . . . . . . . 76 HIS HB2 . 53082 1
473 . 1 . 1 76 76 HIS HB3 H 1 3.460273207 0 . . . . . . . 76 HIS HB3 . 53082 1
474 . 1 . 1 76 76 HIS C C 13 173.3799182 0.03296031331 . . . . . . . 76 HIS C . 53082 1
475 . 1 . 1 76 76 HIS CA C 13 56.72183836 0 . . . . . . . 76 HIS CA . 53082 1
476 . 1 . 1 76 76 HIS CB C 13 26.147019 0.02920231076 . . . . . . . 76 HIS CB . 53082 1
477 . 1 . 1 76 76 HIS N N 15 112.833339 0.1142437138 . . . . . . . 76 HIS N . 53082 1
478 . 1 . 1 77 77 LEU H H 1 8.367705772 0.01245517457 . . . . . . . 77 LEU H . 53082 1
479 . 1 . 1 77 77 LEU HA H 1 5.040243394 0.007811295731 . . . . . . . 77 LEU HA . 53082 1
480 . 1 . 1 77 77 LEU HB2 H 1 0.7948367137 0.009933285906 . . . . . . . 77 LEU HB2 . 53082 1
481 . 1 . 1 77 77 LEU HB3 H 1 1.893937413 0 . . . . . . . 77 LEU HB3 . 53082 1
482 . 1 . 1 77 77 LEU HD11 H 1 0.4778214694 0.002304168972 . . . . . . . 77 LEU HD1# . 53082 1
483 . 1 . 1 77 77 LEU HD12 H 1 0.4778214694 0.002304168972 . . . . . . . 77 LEU HD1# . 53082 1
484 . 1 . 1 77 77 LEU HD13 H 1 0.4778214694 0.002304168972 . . . . . . . 77 LEU HD1# . 53082 1
485 . 1 . 1 77 77 LEU HD21 H 1 0.6605842947 0.004645113062 . . . . . . . 77 LEU HD2# . 53082 1
486 . 1 . 1 77 77 LEU HD22 H 1 0.6605842947 0.004645113062 . . . . . . . 77 LEU HD2# . 53082 1
487 . 1 . 1 77 77 LEU HD23 H 1 0.6605842947 0.004645113062 . . . . . . . 77 LEU HD2# . 53082 1
488 . 1 . 1 77 77 LEU C C 13 176.3242008 0 . . . . . . . 77 LEU C . 53082 1
489 . 1 . 1 77 77 LEU CA C 13 53.88377949 0.06720853943 . . . . . . . 77 LEU CA . 53082 1
490 . 1 . 1 77 77 LEU CB C 13 42.28593457 0.07452906274 . . . . . . . 77 LEU CB . 53082 1
491 . 1 . 1 77 77 LEU CD1 C 13 23.01346323 0.1236116817 . . . . . . . 77 LEU CD1 . 53082 1
492 . 1 . 1 77 77 LEU CD2 C 13 25.70936363 0.09477255848 . . . . . . . 77 LEU CD2 . 53082 1
493 . 1 . 1 77 77 LEU N N 15 117.1887908 0.0505638674 . . . . . . . 77 LEU N . 53082 1
494 . 1 . 1 78 78 GLU H H 1 8.716770356 0.004859834969 . . . . . . . 78 GLU H . 53082 1
495 . 1 . 1 78 78 GLU HA H 1 4.660394459 0.003001121139 . . . . . . . 78 GLU HA . 53082 1
496 . 1 . 1 78 78 GLU HB2 H 1 1.728439417 0 . . . . . . . 78 GLU HB2 . 53082 1
497 . 1 . 1 78 78 GLU HB3 H 1 1.728439417 0 . . . . . . . 78 GLU HB3 . 53082 1
498 . 1 . 1 78 78 GLU C C 13 174.7289915 0.05145836435 . . . . . . . 78 GLU C . 53082 1
499 . 1 . 1 78 78 GLU CA C 13 54.70687892 0.02920231075 . . . . . . . 78 GLU CA . 53082 1
500 . 1 . 1 78 78 GLU CB C 13 33.76882211 0 . . . . . . . 78 GLU CB . 53082 1
501 . 1 . 1 78 78 GLU N N 15 117.6628075 0.02580075907 . . . . . . . 78 GLU N . 53082 1
502 . 1 . 1 79 79 ILE H H 1 8.70229818 0.01668027916 . . . . . . . 79 ILE H . 53082 1
503 . 1 . 1 79 79 ILE HA H 1 5.477288398 0.006493288095 . . . . . . . 79 ILE HA . 53082 1
504 . 1 . 1 79 79 ILE HB H 1 1.643888536 0.008283542858 . . . . . . . 79 ILE HB . 53082 1
505 . 1 . 1 79 79 ILE HG21 H 1 1.021868893 0.005839387991 . . . . . . . 79 ILE HG2# . 53082 1
506 . 1 . 1 79 79 ILE HG22 H 1 1.021868893 0.005839387991 . . . . . . . 79 ILE HG2# . 53082 1
507 . 1 . 1 79 79 ILE HG23 H 1 1.021868893 0.005839387991 . . . . . . . 79 ILE HG2# . 53082 1
508 . 1 . 1 79 79 ILE HD11 H 1 0.7001952453 0.01892929479 . . . . . . . 79 ILE HD1# . 53082 1
509 . 1 . 1 79 79 ILE HD12 H 1 0.7001952453 0.01892929479 . . . . . . . 79 ILE HD1# . 53082 1
510 . 1 . 1 79 79 ILE HD13 H 1 0.7001952453 0.01892929479 . . . . . . . 79 ILE HD1# . 53082 1
511 . 1 . 1 79 79 ILE C C 13 173.4425324 0.05145836435 . . . . . . . 79 ILE C . 53082 1
512 . 1 . 1 79 79 ILE CA C 13 59.07114523 0.1300957939 . . . . . . . 79 ILE CA . 53082 1
513 . 1 . 1 79 79 ILE CB C 13 40.62089213 0.06380605728 . . . . . . . 79 ILE CB . 53082 1
514 . 1 . 1 79 79 ILE CG1 C 13 28.09322719 0 . . . . . . . 79 ILE CG1 . 53082 1
515 . 1 . 1 79 79 ILE CG2 C 13 17.99325115 0 . . . . . . . 79 ILE CG2 . 53082 1
516 . 1 . 1 79 79 ILE CD1 C 13 13.3900149 0 . . . . . . . 79 ILE CD1 . 53082 1
517 . 1 . 1 79 79 ILE N N 15 120.2721326 0.01407662284 . . . . . . . 79 ILE N . 53082 1
518 . 1 . 1 80 80 ALA H H 1 9.457765578 0.01166583614 . . . . . . . 80 ALA H . 53082 1
519 . 1 . 1 80 80 ALA HA H 1 5.298436368 0.01555722066 . . . . . . . 80 ALA HA . 53082 1
520 . 1 . 1 80 80 ALA HB1 H 1 0.8124255312 0.01509292129 . . . . . . . 80 ALA HB# . 53082 1
521 . 1 . 1 80 80 ALA HB2 H 1 0.8124255312 0.01509292129 . . . . . . . 80 ALA HB# . 53082 1
522 . 1 . 1 80 80 ALA HB3 H 1 0.8124255312 0.01509292129 . . . . . . . 80 ALA HB# . 53082 1
523 . 1 . 1 80 80 ALA C C 13 175.5523253 0 . . . . . . . 80 ALA C . 53082 1
524 . 1 . 1 80 80 ALA CA C 13 49.88809953 0.0001990599537 . . . . . . . 80 ALA CA . 53082 1
525 . 1 . 1 80 80 ALA CB C 13 25.53377047 0 . . . . . . . 80 ALA CB . 53082 1
526 . 1 . 1 80 80 ALA N N 15 128.0623581 0.01778201766 . . . . . . . 80 ALA N . 53082 1
527 . 1 . 1 81 81 LEU H H 1 8.48295159 0.01020422556 . . . . . . . 81 LEU H . 53082 1
528 . 1 . 1 81 81 LEU HA H 1 5.157159 0.008923780789 . . . . . . . 81 LEU HA . 53082 1
529 . 1 . 1 81 81 LEU HB2 H 1 1.410730079 0.009503497307 . . . . . . . 81 LEU HB2 . 53082 1
530 . 1 . 1 81 81 LEU HB3 H 1 1.608727404 0 . . . . . . . 81 LEU HB3 . 53082 1
531 . 1 . 1 81 81 LEU HD11 H 1 0.7054988279 0.001945077841 . . . . . . . 81 LEU HD1# . 53082 1
532 . 1 . 1 81 81 LEU HD12 H 1 0.7054988279 0.001945077841 . . . . . . . 81 LEU HD1# . 53082 1
533 . 1 . 1 81 81 LEU HD13 H 1 0.7054988279 0.001945077841 . . . . . . . 81 LEU HD1# . 53082 1
534 . 1 . 1 81 81 LEU HD21 H 1 0.7188607425 0.006901576032 . . . . . . . 81 LEU HD2# . 53082 1
535 . 1 . 1 81 81 LEU HD22 H 1 0.7188607425 0.006901576032 . . . . . . . 81 LEU HD2# . 53082 1
536 . 1 . 1 81 81 LEU HD23 H 1 0.7188607425 0.006901576032 . . . . . . . 81 LEU HD2# . 53082 1
537 . 1 . 1 81 81 LEU C C 13 177.1732638 0.02572918212 . . . . . . . 81 LEU C . 53082 1
538 . 1 . 1 81 81 LEU CA C 13 52.64680652 0.04600612771 . . . . . . . 81 LEU CA . 53082 1
539 . 1 . 1 81 81 LEU CB C 13 46.39769081 0.1146661981 . . . . . . . 81 LEU CB . 53082 1
540 . 1 . 1 81 81 LEU CG C 13 27.09091773 0.1000596527 . . . . . . . 81 LEU CG . 53082 1
541 . 1 . 1 81 81 LEU CD1 C 13 25.97295224 0.03625416711 . . . . . . . 81 LEU CD1 . 53082 1
542 . 1 . 1 81 81 LEU CD2 C 13 24.02303144 0.09783087224 . . . . . . . 81 LEU CD2 . 53082 1
543 . 1 . 1 81 81 LEU N N 15 121.5884077 0.004114326081 . . . . . . . 81 LEU N . 53082 1
544 . 1 . 1 82 82 GLY H H 1 8.902772872 0.006884076137 . . . . . . . 82 GLY H . 53082 1
545 . 1 . 1 82 82 GLY HA2 H 1 4.118772604 0.002788120712 . . . . . . . 82 GLY HA2 . 53082 1
546 . 1 . 1 82 82 GLY HA3 H 1 4.139838103 0.01715842343 . . . . . . . 82 GLY HA3 . 53082 1
547 . 1 . 1 82 82 GLY C C 13 171.4613854 0.02572918219 . . . . . . . 82 GLY C . 53082 1
548 . 1 . 1 82 82 GLY CA C 13 47.08875016 0.007961986132 . . . . . . . 82 GLY CA . 53082 1
549 . 1 . 1 82 82 GLY N N 15 112.8214806 0.03900799343 . . . . . . . 82 GLY N . 53082 1
550 . 1 . 1 83 83 SER H H 1 8.604848213 0.007340661247 . . . . . . . 83 SER H . 53082 1
551 . 1 . 1 83 83 SER HA H 1 4.995325533 0.01713302561 . . . . . . . 83 SER HA . 53082 1
552 . 1 . 1 83 83 SER HB2 H 1 3.891236454 0 . . . . . . . 83 SER HB2 . 53082 1
553 . 1 . 1 83 83 SER HB3 H 1 3.898344176 0.007107722037 . . . . . . . 83 SER HB3 . 53082 1
554 . 1 . 1 83 83 SER C C 13 172.618438 0.0007605682719 . . . . . . . 83 SER C . 53082 1
555 . 1 . 1 83 83 SER CB C 13 65.67430322 0.0733786877 . . . . . . . 83 SER CB . 53082 1
556 . 1 . 1 83 83 SER N N 15 114.1356572 0.07888196113 . . . . . . . 83 SER N . 53082 1
557 . 1 . 1 84 84 ILE H H 1 8.974995773 0.004022329989 . . . . . . . 84 ILE H . 53082 1
558 . 1 . 1 84 84 ILE HA H 1 4.504800004 0.01106496059 . . . . . . . 84 ILE HA . 53082 1
559 . 1 . 1 84 84 ILE HB H 1 1.899825924 0.01369254824 . . . . . . . 84 ILE HB . 53082 1
560 . 1 . 1 84 84 ILE HG21 H 1 1.084972798 0.02085673789 . . . . . . . 84 ILE HG2# . 53082 1
561 . 1 . 1 84 84 ILE HG22 H 1 1.084972798 0.02085673789 . . . . . . . 84 ILE HG2# . 53082 1
562 . 1 . 1 84 84 ILE HG23 H 1 1.084972798 0.02085673789 . . . . . . . 84 ILE HG2# . 53082 1
563 . 1 . 1 84 84 ILE HD11 H 1 0.9174209715 0.01018700735 . . . . . . . 84 ILE HD1# . 53082 1
564 . 1 . 1 84 84 ILE HD12 H 1 0.9174209715 0.01018700735 . . . . . . . 84 ILE HD1# . 53082 1
565 . 1 . 1 84 84 ILE HD13 H 1 0.9174209715 0.01018700735 . . . . . . . 84 ILE HD1# . 53082 1
566 . 1 . 1 84 84 ILE C C 13 176.5248893 0 . . . . . . . 84 ILE C . 53082 1
567 . 1 . 1 84 84 ILE CA C 13 62.0831028 0.2843486985 . . . . . . . 84 ILE CA . 53082 1
568 . 1 . 1 84 84 ILE CB C 13 38.66688906 0.1557656284 . . . . . . . 84 ILE CB . 53082 1
569 . 1 . 1 84 84 ILE CG1 C 13 28.05887487 0.03914377724 . . . . . . . 84 ILE CG1 . 53082 1
570 . 1 . 1 84 84 ILE CG2 C 13 17.30231188 0.05179730194 . . . . . . . 84 ILE CG2 . 53082 1
571 . 1 . 1 84 84 ILE CD1 C 13 13.46598153 0.1100032679 . . . . . . . 84 ILE CD1 . 53082 1
572 . 1 . 1 84 84 ILE N N 15 122.5880813 0.01386239211 . . . . . . . 84 ILE N . 53082 1
573 . 1 . 1 85 85 GLU H H 1 8.962035366 0.00656654428 . . . . . . . 85 GLU H . 53082 1
574 . 1 . 1 85 85 GLU HA H 1 4.278375793 0.007812624811 . . . . . . . 85 GLU HA . 53082 1
575 . 1 . 1 85 85 GLU HB2 H 1 1.916674336 0.005226195515 . . . . . . . 85 GLU HB2 . 53082 1
576 . 1 . 1 85 85 GLU HB3 H 1 1.991805846 0 . . . . . . . 85 GLU HB3 . 53082 1
577 . 1 . 1 85 85 GLU C C 13 177.0988301 0.0220746436 . . . . . . . 85 GLU C . 53082 1
578 . 1 . 1 85 85 GLU CA C 13 57.45232002 0.2073793485 . . . . . . . 85 GLU CA . 53082 1
579 . 1 . 1 85 85 GLU CB C 13 30.04312107 0.08317136768 . . . . . . . 85 GLU CB . 53082 1
580 . 1 . 1 85 85 GLU CG C 13 36.12733784 0 . . . . . . . 85 GLU CG . 53082 1
581 . 1 . 1 85 85 GLU N N 15 129.6355542 0.009803522233 . . . . . . . 85 GLU N . 53082 1
582 . 1 . 1 86 86 GLY H H 1 8.719625569 0.00379745833 . . . . . . . 86 GLY H . 53082 1
583 . 1 . 1 86 86 GLY HA2 H 1 3.827390047 0 . . . . . . . 86 GLY HA2 . 53082 1
584 . 1 . 1 86 86 GLY HA3 H 1 4.202487688 0 . . . . . . . 86 GLY HA3 . 53082 1
585 . 1 . 1 86 86 GLY C C 13 174.1850006 0.02205113735 . . . . . . . 86 GLY C . 53082 1
586 . 1 . 1 86 86 GLY CA C 13 45.25358202 0.06523043866 . . . . . . . 86 GLY CA . 53082 1
587 . 1 . 1 86 86 GLY N N 15 113.3194914 0.04587822938 . . . . . . . 86 GLY N . 53082 1
588 . 1 . 1 87 87 ALA H H 1 7.895380805 0.002895024169 . . . . . . . 87 ALA H . 53082 1
589 . 1 . 1 87 87 ALA HA H 1 4.338161303 0 . . . . . . . 87 ALA HA . 53082 1
590 . 1 . 1 87 87 ALA HB1 H 1 1.429479734 0.00839819041 . . . . . . . 87 ALA HB# . 53082 1
591 . 1 . 1 87 87 ALA HB2 H 1 1.429479734 0.00839819041 . . . . . . . 87 ALA HB# . 53082 1
592 . 1 . 1 87 87 ALA HB3 H 1 1.429479734 0.00839819041 . . . . . . . 87 ALA HB# . 53082 1
593 . 1 . 1 87 87 ALA C C 13 177.925093 0 . . . . . . . 87 ALA C . 53082 1
594 . 1 . 1 87 87 ALA CA C 13 52.85365047 0.0306758704 . . . . . . . 87 ALA CA . 53082 1
595 . 1 . 1 87 87 ALA CB C 13 19.40584663 0.05853221589 . . . . . . . 87 ALA CB . 53082 1
596 . 1 . 1 87 87 ALA N N 15 123.2587128 0.01732081231 . . . . . . . 87 ALA N . 53082 1
597 . 1 . 1 88 88 GLN H H 1 8.590991758 0.002824628225 . . . . . . . 88 GLN H . 53082 1
598 . 1 . 1 88 88 GLN HA H 1 4.330180502 0 . . . . . . . 88 GLN HA . 53082 1
599 . 1 . 1 88 88 GLN HB2 H 1 2.007767448 0 . . . . . . . 88 GLN HB2 . 53082 1
600 . 1 . 1 88 88 GLN HB3 H 1 2.111517859 0 . . . . . . . 88 GLN HB3 . 53082 1
601 . 1 . 1 88 88 GLN HE21 H 1 6.877530378 0.00117038238 . . . . . . . 88 GLN HE21 . 53082 1
602 . 1 . 1 88 88 GLN HE22 H 1 7.565715218 0.00117038238 . . . . . . . 88 GLN HE22 . 53082 1
603 . 1 . 1 88 88 GLN C C 13 176.0808596 0 . . . . . . . 88 GLN C . 53082 1
604 . 1 . 1 88 88 GLN CA C 13 56.01491717 0 . . . . . . . 88 GLN CA . 53082 1
605 . 1 . 1 88 88 GLN CB C 13 29.29308034 0.1109779978 . . . . . . . 88 GLN CB . 53082 1
606 . 1 . 1 88 88 GLN CG C 13 34.03520235 0.02882202198 . . . . . . . 88 GLN CG . 53082 1
607 . 1 . 1 88 88 GLN N N 15 120.1884642 0.008543797189 . . . . . . . 88 GLN N . 53082 1
608 . 1 . 1 88 88 GLN NE2 N 15 112.2439754 0 . . . . . . . 88 GLN NE2 . 53082 1
609 . 1 . 1 89 89 LYS H H 1 8.353377415 0.003586824738 . . . . . . . 89 LYS H . 53082 1
610 . 1 . 1 89 89 LYS HA H 1 4.330180502 0 . . . . . . . 89 LYS HA . 53082 1
611 . 1 . 1 89 89 LYS HB2 H 1 1.75238182 0 . . . . . . . 89 LYS HB2 . 53082 1
612 . 1 . 1 89 89 LYS HB3 H 1 1.816228227 0 . . . . . . . 89 LYS HB3 . 53082 1
613 . 1 . 1 89 89 LYS CA C 13 56.06883719 0.09984851808 . . . . . . . 89 LYS CA . 53082 1
614 . 1 . 1 89 89 LYS CB C 13 32.98806361 0 . . . . . . . 89 LYS CB . 53082 1
615 . 1 . 1 89 89 LYS CG C 13 24.70329254 0 . . . . . . . 89 LYS CG . 53082 1
616 . 1 . 1 89 89 LYS CD C 13 29.13857402 0 . . . . . . . 89 LYS CD . 53082 1
617 . 1 . 1 89 89 LYS CE C 13 42.02599569 0 . . . . . . . 89 LYS CE . 53082 1
618 . 1 . 1 89 89 LYS N N 15 122.9922584 0.02474118325 . . . . . . . 89 LYS N . 53082 1
619 . 1 . 1 90 90 ASN H H 1 8.571453679 0.006166288028 . . . . . . . 90 ASN H . 53082 1
620 . 1 . 1 90 90 ASN C C 13 175.4687892 0 . . . . . . . 90 ASN C . 53082 1
621 . 1 . 1 90 90 ASN CA C 13 53.15604168 0 . . . . . . . 90 ASN CA . 53082 1
622 . 1 . 1 90 90 ASN CB C 13 38.762298 0 . . . . . . . 90 ASN CB . 53082 1
623 . 1 . 1 90 90 ASN N N 15 120.356577 0.003244263782 . . . . . . . 90 ASN N . 53082 1
624 . 1 . 1 91 91 MET HA H 1 4.433930913 0 . . . . . . . 91 MET HA . 53082 1
625 . 1 . 1 91 91 MET HB2 H 1 2.007767448 0 . . . . . . . 91 MET HB2 . 53082 1
626 . 1 . 1 91 91 MET HB3 H 1 2.103537058 0 . . . . . . . 91 MET HB3 . 53082 1
627 . 1 . 1 91 91 MET C C 13 176.1027775 0 . . . . . . . 91 MET C . 53082 1
628 . 1 . 1 91 91 MET CA C 13 55.83394748 0 . . . . . . . 91 MET CA . 53082 1
629 . 1 . 1 91 91 MET CB C 13 32.40227172 0 . . . . . . . 91 MET CB . 53082 1
630 . 1 . 1 92 92 ALA H H 1 8.264796136 0.004149784235 . . . . . . . 92 ALA H . 53082 1
631 . 1 . 1 92 92 ALA HA H 1 4.338161303 0 . . . . . . . 92 ALA HA . 53082 1
632 . 1 . 1 92 92 ALA HB1 H 1 1.397042118 0.02014606488 . . . . . . . 92 ALA HB# . 53082 1
633 . 1 . 1 92 92 ALA HB2 H 1 1.397042118 0.02014606488 . . . . . . . 92 ALA HB# . 53082 1
634 . 1 . 1 92 92 ALA HB3 H 1 1.397042118 0.02014606488 . . . . . . . 92 ALA HB# . 53082 1
635 . 1 . 1 92 92 ALA C C 13 177.6136449 0.02069681342 . . . . . . . 92 ALA C . 53082 1
636 . 1 . 1 92 92 ALA CA C 13 52.72959178 0.09045884936 . . . . . . . 92 ALA CA . 53082 1
637 . 1 . 1 92 92 ALA CB C 13 19.30796829 0.06907480244 . . . . . . . 92 ALA CB . 53082 1
638 . 1 . 1 92 92 ALA N N 15 123.5164113 0.003975415839 . . . . . . . 92 ALA N . 53082 1
639 . 1 . 1 93 93 ASP H H 1 8.107225014 0.006662248512 . . . . . . . 93 ASP H . 53082 1
640 . 1 . 1 93 93 ASP HA H 1 4.561623727 0 . . . . . . . 93 ASP HA . 53082 1
641 . 1 . 1 93 93 ASP HB2 H 1 2.606327513 0 . . . . . . . 93 ASP HB2 . 53082 1
642 . 1 . 1 93 93 ASP HB3 H 1 2.718058726 0 . . . . . . . 93 ASP HB3 . 53082 1
643 . 1 . 1 93 93 ASP C C 13 175.9578998 0.06209044046 . . . . . . . 93 ASP C . 53082 1
644 . 1 . 1 93 93 ASP CA C 13 54.75628486 0.06130834155 . . . . . . . 93 ASP CA . 53082 1
645 . 1 . 1 93 93 ASP CB C 13 41.13576953 0 . . . . . . . 93 ASP CB . 53082 1
646 . 1 . 1 93 93 ASP N N 15 118.7944436 0.02363973347 . . . . . . . 93 ASP N . 53082 1
647 . 1 . 1 94 94 ASP H H 1 8.153451666 0.003499105095 . . . . . . . 94 ASP H . 53082 1
648 . 1 . 1 94 94 ASP HA H 1 4.601527732 0 . . . . . . . 94 ASP HA . 53082 1
649 . 1 . 1 94 94 ASP HB2 H 1 2.606327513 0 . . . . . . . 94 ASP HB2 . 53082 1
650 . 1 . 1 94 94 ASP HB3 H 1 2.606327513 0 . . . . . . . 94 ASP HB3 . 53082 1
651 . 1 . 1 94 94 ASP C C 13 175.5646604 0.04139362701 . . . . . . . 94 ASP C . 53082 1
652 . 1 . 1 94 94 ASP CA C 13 53.98953986 0.1205057611 . . . . . . . 94 ASP CA . 53082 1
653 . 1 . 1 94 94 ASP CB C 13 41.09542343 0 . . . . . . . 94 ASP CB . 53082 1
654 . 1 . 1 94 94 ASP N N 15 119.4234251 0.03777933181 . . . . . . . 94 ASP N . 53082 1
655 . 1 . 1 95 95 PHE H H 1 8.131030713 0.005595475612 . . . . . . . 95 PHE H . 53082 1
656 . 1 . 1 95 95 PHE HA H 1 4.492645179 0.01311294262 . . . . . . . 95 PHE HA . 53082 1
657 . 1 . 1 95 95 PHE HB2 H 1 2.947482579 0.007667086583 . . . . . . . 95 PHE HB2 . 53082 1
658 . 1 . 1 95 95 PHE HB3 H 1 3.143536238 0.02187398182 . . . . . . . 95 PHE HB3 . 53082 1
659 . 1 . 1 95 95 PHE HD1 H 1 7.199977413 0.005642128123 . . . . . . . 95 PHE HD# . 53082 1
660 . 1 . 1 95 95 PHE HD2 H 1 7.199977413 0.005642128123 . . . . . . . 95 PHE HD# . 53082 1
661 . 1 . 1 95 95 PHE HE1 H 1 6.814393346 0.003491068227 . . . . . . . 95 PHE HE# . 53082 1
662 . 1 . 1 95 95 PHE HE2 H 1 6.814393346 0.003491068227 . . . . . . . 95 PHE HE# . 53082 1
663 . 1 . 1 95 95 PHE C C 13 174.612607 0.08278725395 . . . . . . . 95 PHE C . 53082 1
664 . 1 . 1 95 95 PHE CA C 13 57.80555563 0.1606743481 . . . . . . . 95 PHE CA . 53082 1
665 . 1 . 1 95 95 PHE CB C 13 39.60918571 0.04016858703 . . . . . . . 95 PHE CB . 53082 1
666 . 1 . 1 95 95 PHE CD1 C 13 131.9801737 0.0000019 . . . . . . . 95 PHE CD# . 53082 1
667 . 1 . 1 95 95 PHE CD2 C 13 131.9801737 0.0000019 . . . . . . . 95 PHE CD# . 53082 1
668 . 1 . 1 95 95 PHE CE1 C 13 131.7865896 0 . . . . . . . 95 PHE CE# . 53082 1
669 . 1 . 1 95 95 PHE CE2 C 13 131.7865896 0 . . . . . . . 95 PHE CE# . 53082 1
670 . 1 . 1 95 95 PHE N N 15 121.2897161 0.0122337151 . . . . . . . 95 PHE N . 53082 1
671 . 1 . 1 96 96 ASN H H 1 8.351961975 0.005382512875 . . . . . . . 96 ASN H . 53082 1
672 . 1 . 1 96 96 ASN C C 13 173.7888738 0 . . . . . . . 96 ASN C . 53082 1
673 . 1 . 1 96 96 ASN N N 15 124.5295988 0.02907956596 . . . . . . . 96 ASN N . 53082 1
674 . 1 . 1 97 97 PRO HA H 1 4.254077043 0.01386487895 . . . . . . . 97 PRO HA . 53082 1
675 . 1 . 1 97 97 PRO HB2 H 1 1.840170629 0 . . . . . . . 97 PRO HB2 . 53082 1
676 . 1 . 1 97 97 PRO HB3 H 1 2.478634699 0 . . . . . . . 97 PRO HB3 . 53082 1
677 . 1 . 1 97 97 PRO C C 13 177.8370331 0 . . . . . . . 97 PRO C . 53082 1
678 . 1 . 1 97 97 PRO CA C 13 63.78071019 0 . . . . . . . 97 PRO CA . 53082 1
679 . 1 . 1 97 97 PRO CB C 13 32.52949128 0 . . . . . . . 97 PRO CB . 53082 1
680 . 1 . 1 97 97 PRO CG C 13 27.27546539 0 . . . . . . . 97 PRO CG . 53082 1
681 . 1 . 1 98 98 LEU H H 1 7.849594672 0.007657803019 . . . . . . . 98 LEU H . 53082 1
682 . 1 . 1 98 98 LEU HA H 1 4.038794904 0.01188483499 . . . . . . . 98 LEU HA . 53082 1
683 . 1 . 1 98 98 LEU HB2 H 1 1.002186538 0 . . . . . . . 98 LEU HB2 . 53082 1
684 . 1 . 1 98 98 LEU HB3 H 1 1.129879352 0 . . . . . . . 98 LEU HB3 . 53082 1
685 . 1 . 1 98 98 LEU HD11 H 1 0.5723207514 0 . . . . . . . 98 LEU HD1# . 53082 1
686 . 1 . 1 98 98 LEU HD12 H 1 0.5723207514 0 . . . . . . . 98 LEU HD1# . 53082 1
687 . 1 . 1 98 98 LEU HD13 H 1 0.5723207514 0 . . . . . . . 98 LEU HD1# . 53082 1
688 . 1 . 1 98 98 LEU HD21 H 1 0.770655395 0.01255890369 . . . . . . . 98 LEU HD2# . 53082 1
689 . 1 . 1 98 98 LEU HD22 H 1 0.770655395 0.01255890369 . . . . . . . 98 LEU HD2# . 53082 1
690 . 1 . 1 98 98 LEU HD23 H 1 0.770655395 0.01255890369 . . . . . . . 98 LEU HD2# . 53082 1
691 . 1 . 1 98 98 LEU C C 13 177.7271658 0 . . . . . . . 98 LEU C . 53082 1
692 . 1 . 1 98 98 LEU CA C 13 56.56961946 0.08390841636 . . . . . . . 98 LEU CA . 53082 1
693 . 1 . 1 98 98 LEU CB C 13 40.38118914 0.05326173977 . . . . . . . 98 LEU CB . 53082 1
694 . 1 . 1 98 98 LEU CD1 C 13 22.3810217 0.080792103 . . . . . . . 98 LEU CD1 . 53082 1
695 . 1 . 1 98 98 LEU CD2 C 13 25.75621718 0.1214576802 . . . . . . . 98 LEU CD2 . 53082 1
696 . 1 . 1 98 98 LEU N N 15 114.1439285 0.03664056541 . . . . . . . 98 LEU N . 53082 1
697 . 1 . 1 99 99 GLU H H 1 7.549321832 0.008059319482 . . . . . . . 99 GLU H . 53082 1
698 . 1 . 1 99 99 GLU HA H 1 4.03489087 0 . . . . . . . 99 GLU HA . 53082 1
699 . 1 . 1 99 99 GLU C C 13 175.2790443 0 . . . . . . . 99 GLU C . 53082 1
700 . 1 . 1 99 99 GLU CA C 13 57.60532909 0.03431188209 . . . . . . . 99 GLU CA . 53082 1
701 . 1 . 1 99 99 GLU CB C 13 29.55485676 0 . . . . . . . 99 GLU CB . 53082 1
702 . 1 . 1 99 99 GLU CG C 13 36.69623099 0 . . . . . . . 99 GLU CG . 53082 1
703 . 1 . 1 99 99 GLU N N 15 115.9124675 0.0000013 . . . . . . . 99 GLU N . 53082 1
704 . 1 . 1 100 100 ASN H H 1 7.260333275 0.007373136137 . . . . . . . 100 ASN H . 53082 1
705 . 1 . 1 100 100 ASN HA H 1 5.072367823 0.008107629003 . . . . . . . 100 ASN HA . 53082 1
706 . 1 . 1 100 100 ASN HB2 H 1 2.262553784 0.01280817732 . . . . . . . 100 ASN HB2 . 53082 1
707 . 1 . 1 100 100 ASN HB3 H 1 3.04250143 0.002540960419 . . . . . . . 100 ASN HB3 . 53082 1
708 . 1 . 1 100 100 ASN HD21 H 1 6.977778729 0 . . . . . . . 100 ASN HD21 . 53082 1
709 . 1 . 1 100 100 ASN HD22 H 1 7.494646747 0 . . . . . . . 100 ASN HD22 . 53082 1
710 . 1 . 1 100 100 ASN C C 13 172.8261047 0.002436978079 . . . . . . . 100 ASN C . 53082 1
711 . 1 . 1 100 100 ASN CA C 13 53.01382792 0.09383038818 . . . . . . . 100 ASN CA . 53082 1
712 . 1 . 1 100 100 ASN CB C 13 40.05438123 0.07520275972 . . . . . . . 100 ASN CB . 53082 1
713 . 1 . 1 100 100 ASN N N 15 112.8704869 0.009063300752 . . . . . . . 100 ASN N . 53082 1
714 . 1 . 1 100 100 ASN ND2 N 15 109.5059116 0 . . . . . . . 100 ASN ND2 . 53082 1
715 . 1 . 1 101 101 TYR H H 1 6.902757687 0.008296915732 . . . . . . . 101 TYR H . 53082 1
716 . 1 . 1 101 101 TYR HA H 1 5.484146843 0.01114149265 . . . . . . . 101 TYR HA . 53082 1
717 . 1 . 1 101 101 TYR HB2 H 1 2.32382701 0.01211521819 . . . . . . . 101 TYR HB2 . 53082 1
718 . 1 . 1 101 101 TYR HB3 H 1 2.578920182 0.006351239602 . . . . . . . 101 TYR HB3 . 53082 1
719 . 1 . 1 101 101 TYR HD1 H 1 6.887452905 0.008958128043 . . . . . . . 101 TYR HD# . 53082 1
720 . 1 . 1 101 101 TYR HD2 H 1 6.887452905 0.008958128043 . . . . . . . 101 TYR HD# . 53082 1
721 . 1 . 1 101 101 TYR HE1 H 1 6.639993032 0.01073014681 . . . . . . . 101 TYR HE# . 53082 1
722 . 1 . 1 101 101 TYR HE2 H 1 6.639993032 0.01073014681 . . . . . . . 101 TYR HE# . 53082 1
723 . 1 . 1 101 101 TYR C C 13 174.2311885 0 . . . . . . . 101 TYR C . 53082 1
724 . 1 . 1 101 101 TYR CA C 13 56.67406307 0.2114830855 . . . . . . . 101 TYR CA . 53082 1
725 . 1 . 1 101 101 TYR CB C 13 42.5818013 0 . . . . . . . 101 TYR CB . 53082 1
726 . 1 . 1 101 101 TYR CD1 C 13 132.4745545 0.2043305033 . . . . . . . 101 TYR CD# . 53082 1
727 . 1 . 1 101 101 TYR CD2 C 13 132.4745545 0.2043305033 . . . . . . . 101 TYR CD# . 53082 1
728 . 1 . 1 101 101 TYR CE1 C 13 118.3716776 0.1978035592 . . . . . . . 101 TYR CE# . 53082 1
729 . 1 . 1 101 101 TYR CE2 C 13 118.3716776 0.1978035592 . . . . . . . 101 TYR CE# . 53082 1
730 . 1 . 1 101 101 TYR N N 15 114.4113186 0.07364551962 . . . . . . . 101 TYR N . 53082 1
731 . 1 . 1 102 102 PHE H H 1 9.102419148 0.01340095233 . . . . . . . 102 PHE H . 53082 1
732 . 1 . 1 102 102 PHE HA H 1 4.933710325 0.0142993748 . . . . . . . 102 PHE HA . 53082 1
733 . 1 . 1 102 102 PHE HB2 H 1 2.029730393 0.006001343183 . . . . . . . 102 PHE HB2 . 53082 1
734 . 1 . 1 102 102 PHE HB3 H 1 2.586343499 0.01309900355 . . . . . . . 102 PHE HB3 . 53082 1
735 . 1 . 1 102 102 PHE HD1 H 1 7.0500184 0.02718316022 . . . . . . . 102 PHE HD# . 53082 1
736 . 1 . 1 102 102 PHE HD2 H 1 7.0500184 0.02718316022 . . . . . . . 102 PHE HD# . 53082 1
737 . 1 . 1 102 102 PHE C C 13 173.2760851 0.05026860209 . . . . . . . 102 PHE C . 53082 1
738 . 1 . 1 102 102 PHE CA C 13 55.82371789 0 . . . . . . . 102 PHE CA . 53082 1
739 . 1 . 1 102 102 PHE CB C 13 43.03993445 0 . . . . . . . 102 PHE CB . 53082 1
740 . 1 . 1 102 102 PHE N N 15 120.4292702 0.04321406056 . . . . . . . 102 PHE N . 53082 1
741 . 1 . 1 103 103 ILE H H 1 9.666591013 0.0102326505 . . . . . . . 103 ILE H . 53082 1
742 . 1 . 1 103 103 ILE HA H 1 5.81282916 0.009418370813 . . . . . . . 103 ILE HA . 53082 1
743 . 1 . 1 103 103 ILE HB H 1 1.531177217 0.01637383922 . . . . . . . 103 ILE HB . 53082 1
744 . 1 . 1 103 103 ILE HG12 H 1 0.3543957259 0.01089016455 . . . . . . . 103 ILE HG12 . 53082 1
745 . 1 . 1 103 103 ILE HG21 H 1 0.804524197 0.0130164393 . . . . . . . 103 ILE HG2# . 53082 1
746 . 1 . 1 103 103 ILE HG22 H 1 0.804524197 0.0130164393 . . . . . . . 103 ILE HG2# . 53082 1
747 . 1 . 1 103 103 ILE HG23 H 1 0.804524197 0.0130164393 . . . . . . . 103 ILE HG2# . 53082 1
748 . 1 . 1 103 103 ILE HD11 H 1 0.58814641 0.00740154046 . . . . . . . 103 ILE HD1# . 53082 1
749 . 1 . 1 103 103 ILE HD12 H 1 0.58814641 0.00740154046 . . . . . . . 103 ILE HD1# . 53082 1
750 . 1 . 1 103 103 ILE HD13 H 1 0.58814641 0.00740154046 . . . . . . . 103 ILE HD1# . 53082 1
751 . 1 . 1 103 103 ILE C C 13 172.8236677 0 . . . . . . . 103 ILE C . 53082 1
752 . 1 . 1 103 103 ILE CA C 13 58.43322476 0.1548553122 . . . . . . . 103 ILE CA . 53082 1
753 . 1 . 1 103 103 ILE CB C 13 43.36776209 0.152490214 . . . . . . . 103 ILE CB . 53082 1
754 . 1 . 1 103 103 ILE CG1 C 13 28.29026431 0.1321368254 . . . . . . . 103 ILE CG1 . 53082 1
755 . 1 . 1 103 103 ILE CG2 C 13 16.24801133 0.2125629987 . . . . . . . 103 ILE CG2 . 53082 1
756 . 1 . 1 103 103 ILE CD1 C 13 14.9106031 0.00599483759 . . . . . . . 103 ILE CD1 . 53082 1
757 . 1 . 1 103 103 ILE N N 15 121.9625835 0.02511051749 . . . . . . . 103 ILE N . 53082 1
758 . 1 . 1 104 104 ARG H H 1 8.667100796 0.01185465973 . . . . . . . 104 ARG H . 53082 1
759 . 1 . 1 104 104 ARG HA H 1 4.655880342 0.01531016877 . . . . . . . 104 ARG HA . 53082 1
760 . 1 . 1 104 104 ARG C C 13 174.0301141 0.05026860205 . . . . . . . 104 ARG C . 53082 1
761 . 1 . 1 104 104 ARG CA C 13 54.14109615 0.005649968656 . . . . . . . 104 ARG CA . 53082 1
762 . 1 . 1 104 104 ARG CB C 13 33.98462237 0.02478180743 . . . . . . . 104 ARG CB . 53082 1
763 . 1 . 1 104 104 ARG N N 15 120.2410838 0.02851257254 . . . . . . . 104 ARG N . 53082 1
764 . 1 . 1 105 105 ARG H H 1 7.735831187 0.003487581907 . . . . . . . 105 ARG H . 53082 1
765 . 1 . 1 105 105 ARG C C 13 177.9007965 0 . . . . . . . 105 ARG C . 53082 1
766 . 1 . 1 105 105 ARG CA C 13 54.90949245 0.02270057385 . . . . . . . 105 ARG CA . 53082 1
767 . 1 . 1 105 105 ARG CB C 13 32.79687428 0.04462450136 . . . . . . . 105 ARG CB . 53082 1
768 . 1 . 1 105 105 ARG N N 15 117.5514426 0.0105521558 . . . . . . . 105 ARG N . 53082 1
769 . 1 . 1 106 106 GLU H H 1 9.198926219 0.01151753717 . . . . . . . 106 GLU H . 53082 1
770 . 1 . 1 106 106 GLU HA H 1 4.098737277 0 . . . . . . . 106 GLU HA . 53082 1
771 . 1 . 1 106 106 GLU HB2 H 1 2.063633054 0 . . . . . . . 106 GLU HB2 . 53082 1
772 . 1 . 1 106 106 GLU HB3 H 1 2.063633054 0 . . . . . . . 106 GLU HB3 . 53082 1
773 . 1 . 1 106 106 GLU HG2 H 1 2.268123092 0 . . . . . . . 106 GLU HG2 . 53082 1
774 . 1 . 1 106 106 GLU HG3 H 1 2.334431527 0 . . . . . . . 106 GLU HG3 . 53082 1
775 . 1 . 1 106 106 GLU C C 13 177.5991849 0 . . . . . . . 106 GLU C . 53082 1
776 . 1 . 1 106 106 GLU CA C 13 59.38173147 0 . . . . . . . 106 GLU CA . 53082 1
777 . 1 . 1 106 106 GLU CB C 13 30.40205708 0.1281923288 . . . . . . . 106 GLU CB . 53082 1
778 . 1 . 1 106 106 GLU CG C 13 36.13199994 0 . . . . . . . 106 GLU CG . 53082 1
779 . 1 . 1 106 106 GLU N N 15 123.3815607 0.02507845307 . . . . . . . 106 GLU N . 53082 1
780 . 1 . 1 107 107 ASN H H 1 8.330576475 0.005449407781 . . . . . . . 107 ASN H . 53082 1
781 . 1 . 1 107 107 ASN HA H 1 4.771391574 0.02105010288 . . . . . . . 107 ASN HA . 53082 1
782 . 1 . 1 107 107 ASN HB2 H 1 2.640590867 0.01454471005 . . . . . . . 107 ASN HB2 . 53082 1
783 . 1 . 1 107 107 ASN HB3 H 1 3.014326883 0.008067577932 . . . . . . . 107 ASN HB3 . 53082 1
784 . 1 . 1 107 107 ASN HD21 H 1 6.997735023 0 . . . . . . . 107 ASN HD21 . 53082 1
785 . 1 . 1 107 107 ASN HD22 H 1 7.673087669 0 . . . . . . . 107 ASN HD22 . 53082 1
786 . 1 . 1 107 107 ASN C C 13 175.3119635 0.02513430095 . . . . . . . 107 ASN C . 53082 1
787 . 1 . 1 107 107 ASN CA C 13 52.3229453 0.08546155251 . . . . . . . 107 ASN CA . 53082 1
788 . 1 . 1 107 107 ASN CB C 13 35.96200961 0.0175847542 . . . . . . . 107 ASN CB . 53082 1
789 . 1 . 1 107 107 ASN N N 15 115.0373987 0.02846467018 . . . . . . . 107 ASN N . 53082 1
790 . 1 . 1 107 107 ASN ND2 N 15 111.0425463 0 . . . . . . . 107 ASN ND2 . 53082 1
791 . 1 . 1 108 108 TRP H H 1 7.210026276 0.008492023883 . . . . . . . 108 TRP H . 53082 1
792 . 1 . 1 108 108 TRP HA H 1 4.00625633 0.004692137183 . . . . . . . 108 TRP HA . 53082 1
793 . 1 . 1 108 108 TRP HB2 H 1 2.958887976 0.01085495416 . . . . . . . 108 TRP HB2 . 53082 1
794 . 1 . 1 108 108 TRP HB3 H 1 3.608561382 0.00872043398 . . . . . . . 108 TRP HB3 . 53082 1
795 . 1 . 1 108 108 TRP HD1 H 1 7.389412472 0.008328730045 . . . . . . . 108 TRP HD1 . 53082 1
796 . 1 . 1 108 108 TRP HE1 H 1 9.947507514 0.004739124074 . . . . . . . 108 TRP HE1 . 53082 1
797 . 1 . 1 108 108 TRP HE3 H 1 7.025122169 0 . . . . . . . 108 TRP HE3 . 53082 1
798 . 1 . 1 108 108 TRP HZ2 H 1 7.441170934 0.005640355883 . . . . . . . 108 TRP HZ2 . 53082 1
799 . 1 . 1 108 108 TRP HZ3 H 1 7.07291227 0.009138837885 . . . . . . . 108 TRP HZ3 . 53082 1
800 . 1 . 1 108 108 TRP HH2 H 1 6.692539476 0 . . . . . . . 108 TRP HH2 . 53082 1
801 . 1 . 1 108 108 TRP C C 13 177.0900937 0.00640513628 . . . . . . . 108 TRP C . 53082 1
802 . 1 . 1 108 108 TRP CA C 13 59.80478706 0.2163846844 . . . . . . . 108 TRP CA . 53082 1
803 . 1 . 1 108 108 TRP CB C 13 27.60663302 0.1720998413 . . . . . . . 108 TRP CB . 53082 1
804 . 1 . 1 108 108 TRP CD1 C 13 120.8981322 0 . . . . . . . 108 TRP CD1 . 53082 1
805 . 1 . 1 108 108 TRP CE3 C 13 119.0955701 0 . . . . . . . 108 TRP CE3 . 53082 1
806 . 1 . 1 108 108 TRP CZ2 C 13 114.5957896 0.09198241481 . . . . . . . 108 TRP CZ2 . 53082 1
807 . 1 . 1 108 108 TRP CZ3 C 13 123.7815507 0.04217597009 . . . . . . . 108 TRP CZ3 . 53082 1
808 . 1 . 1 108 108 TRP CH2 C 13 120.3908922 0 . . . . . . . 108 TRP CH2 . 53082 1
809 . 1 . 1 108 108 TRP N N 15 118.0434555 0.02087234621 . . . . . . . 108 TRP N . 53082 1
810 . 1 . 1 108 108 TRP NE1 N 15 131.3057037 0 . . . . . . . 108 TRP NE1 . 53082 1
811 . 1 . 1 109 109 ALA H H 1 7.159990894 0.01132239834 . . . . . . . 109 ALA H . 53082 1
812 . 1 . 1 109 109 ALA HA H 1 3.231484664 0.004911643015 . . . . . . . 109 ALA HA . 53082 1
813 . 1 . 1 109 109 ALA HB1 H 1 0.2811055631 0.02070863264 . . . . . . . 109 ALA HB# . 53082 1
814 . 1 . 1 109 109 ALA HB2 H 1 0.2811055631 0.02070863264 . . . . . . . 109 ALA HB# . 53082 1
815 . 1 . 1 109 109 ALA HB3 H 1 0.2811055631 0.02070863264 . . . . . . . 109 ALA HB# . 53082 1
816 . 1 . 1 109 109 ALA C C 13 179.4026419 0.03011627625 . . . . . . . 109 ALA C . 53082 1
817 . 1 . 1 109 109 ALA CA C 13 55.38529911 0.07034497804 . . . . . . . 109 ALA CA . 53082 1
818 . 1 . 1 109 109 ALA CB C 13 16.69881127 0.1969844926 . . . . . . . 109 ALA CB . 53082 1
819 . 1 . 1 109 109 ALA N N 15 124.4132011 0.002753838583 . . . . . . . 109 ALA N . 53082 1
820 . 1 . 1 110 110 GLU H H 1 7.674101785 0.007212152658 . . . . . . . 110 GLU H . 53082 1
821 . 1 . 1 110 110 GLU HA H 1 3.850387112 0.01195501143 . . . . . . . 110 GLU HA . 53082 1
822 . 1 . 1 110 110 GLU HB2 H 1 1.658306617 0.003629450561 . . . . . . . 110 GLU HB2 . 53082 1
823 . 1 . 1 110 110 GLU HB3 H 1 1.666541752 0.001948741397 . . . . . . . 110 GLU HB3 . 53082 1
824 . 1 . 1 110 110 GLU HG2 H 1 1.970164911 0.003281709566 . . . . . . . 110 GLU HG2 . 53082 1
825 . 1 . 1 110 110 GLU HG3 H 1 2.037278743 0.009302828233 . . . . . . . 110 GLU HG3 . 53082 1
826 . 1 . 1 110 110 GLU C C 13 176.9029909 0 . . . . . . . 110 GLU C . 53082 1
827 . 1 . 1 110 110 GLU CA C 13 57.99420953 0 . . . . . . . 110 GLU CA . 53082 1
828 . 1 . 1 110 110 GLU CB C 13 28.9714663 0 . . . . . . . 110 GLU CB . 53082 1
829 . 1 . 1 110 110 GLU CG C 13 37.05399994 0.0000004768 . . . . . . . 110 GLU CG . 53082 1
830 . 1 . 1 110 110 GLU N N 15 116.1308109 0.07446423357 . . . . . . . 110 GLU N . 53082 1
831 . 1 . 1 111 111 TYR H H 1 7.686226491 0.008294029532 . . . . . . . 111 TYR H . 53082 1
832 . 1 . 1 111 111 TYR HA H 1 4.47875063 0.01104588986 . . . . . . . 111 TYR HA . 53082 1
833 . 1 . 1 111 111 TYR HB2 H 1 2.962187724 0.01268577322 . . . . . . . 111 TYR HB2 . 53082 1
834 . 1 . 1 111 111 TYR HB3 H 1 3.21286838 0 . . . . . . . 111 TYR HB3 . 53082 1
835 . 1 . 1 111 111 TYR HD1 H 1 6.998838653 0.01529541788 . . . . . . . 111 TYR HD# . 53082 1
836 . 1 . 1 111 111 TYR HD2 H 1 6.998838653 0.01529541788 . . . . . . . 111 TYR HD# . 53082 1
837 . 1 . 1 111 111 TYR C C 13 175.382119 0.0150581384 . . . . . . . 111 TYR C . 53082 1
838 . 1 . 1 111 111 TYR CA C 13 57.9429326 0.05127693151 . . . . . . . 111 TYR CA . 53082 1
839 . 1 . 1 111 111 TYR CB C 13 40.50877589 0.05127693151 . . . . . . . 111 TYR CB . 53082 1
840 . 1 . 1 111 111 TYR N N 15 115.9321422 0.07980313761 . . . . . . . 111 TYR N . 53082 1
841 . 1 . 1 112 112 ALA H H 1 7.259522982 0.01143477716 . . . . . . . 112 ALA H . 53082 1
842 . 1 . 1 112 112 ALA HA H 1 4.649412537 0 . . . . . . . 112 ALA HA . 53082 1
843 . 1 . 1 112 112 ALA HB1 H 1 1.674218073 0.01697776985 . . . . . . . 112 ALA HB# . 53082 1
844 . 1 . 1 112 112 ALA HB2 H 1 1.674218073 0.01697776985 . . . . . . . 112 ALA HB# . 53082 1
845 . 1 . 1 112 112 ALA HB3 H 1 1.674218073 0.01697776985 . . . . . . . 112 ALA HB# . 53082 1
846 . 1 . 1 112 112 ALA C C 13 177.2945025 0 . . . . . . . 112 ALA C . 53082 1
847 . 1 . 1 112 112 ALA CA C 13 52.94310781 0.07659142394 . . . . . . . 112 ALA CA . 53082 1
848 . 1 . 1 112 112 ALA CB C 13 19.74127464 0.004668906773 . . . . . . . 112 ALA CB . 53082 1
849 . 1 . 1 112 112 ALA N N 15 121.8845922 0.004347783742 . . . . . . . 112 ALA N . 53082 1
850 . 1 . 1 113 113 MET H H 1 8.620854847 0.01152862142 . . . . . . . 113 MET H . 53082 1
851 . 1 . 1 113 113 MET HA H 1 4.577585329 0 . . . . . . . 113 MET HA . 53082 1
852 . 1 . 1 113 113 MET HB2 H 1 1.983825045 0 . . . . . . . 113 MET HB2 . 53082 1
853 . 1 . 1 113 113 MET HB3 H 1 2.167383465 0 . . . . . . . 113 MET HB3 . 53082 1
854 . 1 . 1 113 113 MET HE1 H 1 2.077613098 0 . . . . . . . 113 MET HE# . 53082 1
855 . 1 . 1 113 113 MET HE2 H 1 2.077613098 0 . . . . . . . 113 MET HE# . 53082 1
856 . 1 . 1 113 113 MET HE3 H 1 2.077613098 0 . . . . . . . 113 MET HE# . 53082 1
857 . 1 . 1 113 113 MET C C 13 176.4060724 0.04517441451 . . . . . . . 113 MET C . 53082 1
858 . 1 . 1 113 113 MET CA C 13 55.41774508 0.07493893271 . . . . . . . 113 MET CA . 53082 1
859 . 1 . 1 113 113 MET CE C 13 17.0456359 0 . . . . . . . 113 MET CE . 53082 1
860 . 1 . 1 113 113 MET N N 15 121.1227979 0.0133831387 . . . . . . . 113 MET N . 53082 1
861 . 1 . 1 114 114 GLU H H 1 8.555219081 0.004377360413 . . . . . . . 114 GLU H . 53082 1
862 . 1 . 1 114 114 GLU HA H 1 4.354122905 0 . . . . . . . 114 GLU HA . 53082 1
863 . 1 . 1 114 114 GLU HB2 H 1 2.007767448 0 . . . . . . . 114 GLU HB2 . 53082 1
864 . 1 . 1 114 114 GLU HB3 H 1 2.11949866 0 . . . . . . . 114 GLU HB3 . 53082 1
865 . 1 . 1 114 114 GLU CA C 13 56.99146267 0 . . . . . . . 114 GLU CA . 53082 1
866 . 1 . 1 114 114 GLU CB C 13 30.33736964 0.02416702214 . . . . . . . 114 GLU CB . 53082 1
867 . 1 . 1 114 114 GLU N N 15 122.364413 0.01206027807 . . . . . . . 114 GLU N . 53082 1
868 . 1 . 1 115 115 SER H H 1 8.376907461 0.003670545437 . . . . . . . 115 SER H . 53082 1
869 . 1 . 1 115 115 SER HA H 1 4.306238099 0 . . . . . . . 115 SER HA . 53082 1
870 . 1 . 1 115 115 SER HB2 H 1 1.393245781 0 . . . . . . . 115 SER HB2 . 53082 1
871 . 1 . 1 115 115 SER CA C 13 58.16596962 0 . . . . . . . 115 SER CA . 53082 1
872 . 1 . 1 115 115 SER CB C 13 63.92655656 0 . . . . . . . 115 SER CB . 53082 1
873 . 1 . 1 115 115 SER N N 15 116.0725242 0.01122515904 . . . . . . . 115 SER N . 53082 1
874 . 1 . 1 116 116 ASN H H 1 8.344375628 0.007177792676 . . . . . . . 116 ASN H . 53082 1
875 . 1 . 1 116 116 ASN N N 15 119.3574365 0.0000023 . . . . . . . 116 ASN N . 53082 1
876 . 1 . 1 119 119 GLU HA H 1 4.250372493 0 . . . . . . . 119 GLU HA . 53082 1
877 . 1 . 1 119 119 GLU HB2 H 1 1.951901842 0 . . . . . . . 119 GLU HB2 . 53082 1
878 . 1 . 1 119 119 GLU HB3 H 1 2.071613855 0 . . . . . . . 119 GLU HB3 . 53082 1
879 . 1 . 1 119 119 GLU C C 13 176.2439573 0 . . . . . . . 119 GLU C . 53082 1
880 . 1 . 1 119 119 GLU CA C 13 56.85222501 0 . . . . . . . 119 GLU CA . 53082 1
881 . 1 . 1 119 119 GLU CB C 13 30.15628341 0 . . . . . . . 119 GLU CB . 53082 1
882 . 1 . 1 119 119 GLU CG C 13 36.40244918 0 . . . . . . . 119 GLU CG . 53082 1
883 . 1 . 1 120 120 ASN H H 1 8.468624076 0.01019218931 . . . . . . . 120 ASN H . 53082 1
884 . 1 . 1 120 120 ASN C C 13 175.0354171 0 . . . . . . . 120 ASN C . 53082 1
885 . 1 . 1 120 120 ASN CA C 13 53.32776081 0 . . . . . . . 120 ASN CA . 53082 1
886 . 1 . 1 120 120 ASN CB C 13 39.30489261 0 . . . . . . . 120 ASN CB . 53082 1
887 . 1 . 1 120 120 ASN N N 15 119.3230578 0.01111318608 . . . . . . . 120 ASN N . 53082 1
888 . 1 . 1 122 122 ASP C C 13 176.0493849 0 . . . . . . . 122 ASP C . 53082 1
889 . 1 . 1 122 122 ASP CA C 13 54.4102788 0 . . . . . . . 122 ASP CA . 53082 1
890 . 1 . 1 122 122 ASP CB C 13 41.09341693 0 . . . . . . . 122 ASP CB . 53082 1
891 . 1 . 1 123 123 GLU H H 1 8.315402476 0.008350229279 . . . . . . . 123 GLU H . 53082 1
892 . 1 . 1 123 123 GLU HA H 1 4.322199701 0 . . . . . . . 123 GLU HA . 53082 1
893 . 1 . 1 123 123 GLU HB2 H 1 1.951901842 0 . . . . . . . 123 GLU HB2 . 53082 1
894 . 1 . 1 123 123 GLU HB3 H 1 2.095556257 0 . . . . . . . 123 GLU HB3 . 53082 1
895 . 1 . 1 123 123 GLU HG2 H 1 2.234941558 0 . . . . . . . 123 GLU HG2 . 53082 1
896 . 1 . 1 123 123 GLU HG3 H 1 2.234941558 0 . . . . . . . 123 GLU HG3 . 53082 1
897 . 1 . 1 123 123 GLU C C 13 176.548273 0.008030771316 . . . . . . . 123 GLU C . 53082 1
898 . 1 . 1 123 123 GLU CA C 13 56.5619084 0.08786483239 . . . . . . . 123 GLU CA . 53082 1
899 . 1 . 1 123 123 GLU CB C 13 29.97972218 0.1638992987 . . . . . . . 123 GLU CB . 53082 1
900 . 1 . 1 123 123 GLU CG C 13 36.40043994 0.02298700464 . . . . . . . 123 GLU CG . 53082 1
901 . 1 . 1 123 123 GLU N N 15 120.7519897 0.01988006857 . . . . . . . 123 GLU N . 53082 1
902 . 1 . 1 124 124 THR H H 1 8.015776143 0.007026671962 . . . . . . . 124 THR H . 53082 1
903 . 1 . 1 124 124 THR HA H 1 4.202487688 0 . . . . . . . 124 THR HA . 53082 1
904 . 1 . 1 124 124 THR HB H 1 4.124892667 0.001894812871 . . . . . . . 124 THR HB . 53082 1
905 . 1 . 1 124 124 THR HG21 H 1 1.145112053 0 . . . . . . . 124 THR HG2# . 53082 1
906 . 1 . 1 124 124 THR HG22 H 1 1.145112053 0 . . . . . . . 124 THR HG2# . 53082 1
907 . 1 . 1 124 124 THR HG23 H 1 1.145112053 0 . . . . . . . 124 THR HG2# . 53082 1
908 . 1 . 1 124 124 THR C C 13 174.2260164 0.06026223151 . . . . . . . 124 THR C . 53082 1
909 . 1 . 1 124 124 THR CA C 13 62.4702444 0.09465312111 . . . . . . . 124 THR CA . 53082 1
910 . 1 . 1 124 124 THR CB C 13 70.09754801 0.2333692645 . . . . . . . 124 THR CB . 53082 1
911 . 1 . 1 124 124 THR CG2 C 13 21.56207409 0.0179150412 . . . . . . . 124 THR CG2 . 53082 1
912 . 1 . 1 124 124 THR N N 15 115.7389565 0.0306906957 . . . . . . . 124 THR N . 53082 1
913 . 1 . 1 125 125 GLU H H 1 8.303162239 0.006339067875 . . . . . . . 125 GLU H . 53082 1
914 . 1 . 1 125 125 GLU HA H 1 4.33762026 0.007439758063 . . . . . . . 125 GLU HA . 53082 1
915 . 1 . 1 125 125 GLU HB2 H 1 1.920378625 0.01636158842 . . . . . . . 125 GLU HB2 . 53082 1
916 . 1 . 1 125 125 GLU HB3 H 1 1.975844244 0 . . . . . . . 125 GLU HB3 . 53082 1
917 . 1 . 1 125 125 GLU C C 13 174.614141 0 . . . . . . . 125 GLU C . 53082 1
918 . 1 . 1 125 125 GLU CA C 13 56.28381142 0.07198905598 . . . . . . . 125 GLU CA . 53082 1
919 . 1 . 1 125 125 GLU CB C 13 30.87167466 0 . . . . . . . 125 GLU CB . 53082 1
920 . 1 . 1 125 125 GLU N N 15 124.4373905 0.03367812032 . . . . . . . 125 GLU N . 53082 1
921 . 1 . 1 126 126 LYS H H 1 8.401462458 0.01101367186 . . . . . . . 126 LYS H . 53082 1
922 . 1 . 1 126 126 LYS HA H 1 4.386046108 0 . . . . . . . 126 LYS HA . 53082 1
923 . 1 . 1 126 126 LYS HB2 H 1 1.5688234 0 . . . . . . . 126 LYS HB2 . 53082 1
924 . 1 . 1 126 126 LYS HB3 H 1 1.704497015 0 . . . . . . . 126 LYS HB3 . 53082 1
925 . 1 . 1 126 126 LYS C C 13 174.5733785 0.08152487604 . . . . . . . 126 LYS C . 53082 1
926 . 1 . 1 126 126 LYS CA C 13 54.70005219 0.07198905598 . . . . . . . 126 LYS CA . 53082 1
927 . 1 . 1 126 126 LYS CB C 13 34.43513293 0.03599452799 . . . . . . . 126 LYS CB . 53082 1
928 . 1 . 1 126 126 LYS CG C 13 24.65901912 0 . . . . . . . 126 LYS CG . 53082 1
929 . 1 . 1 126 126 LYS CD C 13 28.97836248 0 . . . . . . . 126 LYS CD . 53082 1
930 . 1 . 1 126 126 LYS N N 15 123.7459908 0.004312301826 . . . . . . . 126 LYS N . 53082 1
931 . 1 . 1 127 127 TYR H H 1 8.194712969 0.009060502775 . . . . . . . 127 TYR H . 53082 1
932 . 1 . 1 127 127 TYR HA H 1 5.078755449 0.01496444409 . . . . . . . 127 TYR HA . 53082 1
933 . 1 . 1 127 127 TYR HB2 H 1 2.130636959 0.003248353667 . . . . . . . 127 TYR HB2 . 53082 1
934 . 1 . 1 127 127 TYR HB3 H 1 2.33412176 0.007004990945 . . . . . . . 127 TYR HB3 . 53082 1
935 . 1 . 1 127 127 TYR HD1 H 1 6.725912208 0.01524407802 . . . . . . . 127 TYR HD# . 53082 1
936 . 1 . 1 127 127 TYR HD2 H 1 6.725912208 0.01524407802 . . . . . . . 127 TYR HD# . 53082 1
937 . 1 . 1 127 127 TYR HE1 H 1 6.96239135 0.007751756978 . . . . . . . 127 TYR HE# . 53082 1
938 . 1 . 1 127 127 TYR HE2 H 1 6.96239135 0.007751756978 . . . . . . . 127 TYR HE# . 53082 1
939 . 1 . 1 127 127 TYR C C 13 174.7975719 0.02038121896 . . . . . . . 127 TYR C . 53082 1
940 . 1 . 1 127 127 TYR CA C 13 52.71233579 0.1299906017 . . . . . . . 127 TYR CA . 53082 1
941 . 1 . 1 127 127 TYR CB C 13 37.67104099 0.03239507519 . . . . . . . 127 TYR CB . 53082 1
942 . 1 . 1 127 127 TYR CD1 C 13 132.1708295 0.04067956525 . . . . . . . 127 TYR CD# . 53082 1
943 . 1 . 1 127 127 TYR CD2 C 13 132.1708295 0.04067956525 . . . . . . . 127 TYR CD# . 53082 1
944 . 1 . 1 127 127 TYR CE1 C 13 118.0650187 0.04490041939 . . . . . . . 127 TYR CE# . 53082 1
945 . 1 . 1 127 127 TYR CE2 C 13 118.0650187 0.04490041939 . . . . . . . 127 TYR CE# . 53082 1
946 . 1 . 1 127 127 TYR N N 15 123.6949888 0.02622904525 . . . . . . . 127 TYR N . 53082 1
947 . 1 . 1 128 128 ASN H H 1 9.032761055 0.01578183769 . . . . . . . 128 ASN H . 53082 1
948 . 1 . 1 128 128 ASN HA H 1 4.738705514 0.0234384196 . . . . . . . 128 ASN HA . 53082 1
949 . 1 . 1 128 128 ASN HB2 H 1 2.621596622 0.00048966649 . . . . . . . 128 ASN HB2 . 53082 1
950 . 1 . 1 128 128 ASN HB3 H 1 2.645552839 0.01644993702 . . . . . . . 128 ASN HB3 . 53082 1
951 . 1 . 1 128 128 ASN HD21 H 1 7.202474399 0.00148927763 . . . . . . . 128 ASN HD21 . 53082 1
952 . 1 . 1 128 128 ASN HD22 H 1 7.313619061 0.0009165204991 . . . . . . . 128 ASN HD22 . 53082 1
953 . 1 . 1 128 128 ASN C C 13 173.6562237 0.02038121896 . . . . . . . 128 ASN C . 53082 1
954 . 1 . 1 128 128 ASN CA C 13 51.95726915 0 . . . . . . . 128 ASN CA . 53082 1
955 . 1 . 1 128 128 ASN CB C 13 38.95604564 0.04319343359 . . . . . . . 128 ASN CB . 53082 1
956 . 1 . 1 128 128 ASN N N 15 123.10764 0.007107733976 . . . . . . . 128 ASN N . 53082 1
957 . 1 . 1 128 128 ASN ND2 N 15 113.3695965 0.01243855201 . . . . . . . 128 ASN ND2 . 53082 1
958 . 1 . 1 129 129 ILE H H 1 8.52457492 0.008722043146 . . . . . . . 129 ILE H . 53082 1
959 . 1 . 1 129 129 ILE HA H 1 3.653000123 0.01002410588 . . . . . . . 129 ILE HA . 53082 1
960 . 1 . 1 129 129 ILE HB H 1 1.822278676 0.00991115305 . . . . . . . 129 ILE HB . 53082 1
961 . 1 . 1 129 129 ILE HG21 H 1 0.2628669325 0.005014740944 . . . . . . . 129 ILE HG2# . 53082 1
962 . 1 . 1 129 129 ILE HG22 H 1 0.2628669325 0.005014740944 . . . . . . . 129 ILE HG2# . 53082 1
963 . 1 . 1 129 129 ILE HG23 H 1 0.2628669325 0.005014740944 . . . . . . . 129 ILE HG2# . 53082 1
964 . 1 . 1 129 129 ILE HD11 H 1 -0.7040211932 0.007450415676 . . . . . . . 129 ILE HD1# . 53082 1
965 . 1 . 1 129 129 ILE HD12 H 1 -0.7040211932 0.007450415676 . . . . . . . 129 ILE HD1# . 53082 1
966 . 1 . 1 129 129 ILE HD13 H 1 -0.7040211932 0.007450415676 . . . . . . . 129 ILE HD1# . 53082 1
967 . 1 . 1 129 129 ILE C C 13 175.9156508 0.002888223411 . . . . . . . 129 ILE C . 53082 1
968 . 1 . 1 129 129 ILE CA C 13 59.12980417 0.1546266615 . . . . . . . 129 ILE CA . 53082 1
969 . 1 . 1 129 129 ILE CB C 13 35.32618284 0.03534111276 . . . . . . . 129 ILE CB . 53082 1
970 . 1 . 1 129 129 ILE CG1 C 13 25.7481905 0.2066316282 . . . . . . . 129 ILE CG1 . 53082 1
971 . 1 . 1 129 129 ILE CG2 C 13 16.9970506 0.009312161796 . . . . . . . 129 ILE CG2 . 53082 1
972 . 1 . 1 129 129 ILE CD1 C 13 8.04683814 0.06039761226 . . . . . . . 129 ILE CD1 . 53082 1
973 . 1 . 1 129 129 ILE N N 15 126.1371934 0.002426082232 . . . . . . . 129 ILE N . 53082 1
974 . 1 . 1 130 130 GLU H H 1 9.247064954 0.006894382899 . . . . . . . 130 GLU H . 53082 1
975 . 1 . 1 130 130 GLU HA H 1 4.242391693 0 . . . . . . . 130 GLU HA . 53082 1
976 . 1 . 1 130 130 GLU HB2 H 1 1.808247426 0 . . . . . . . 130 GLU HB2 . 53082 1
977 . 1 . 1 130 130 GLU HB3 H 1 1.808247426 0 . . . . . . . 130 GLU HB3 . 53082 1
978 . 1 . 1 130 130 GLU C C 13 176.5762137 0 . . . . . . . 130 GLU C . 53082 1
979 . 1 . 1 130 130 GLU CA C 13 57.75958707 0.03599452799 . . . . . . . 130 GLU CA . 53082 1
980 . 1 . 1 130 130 GLU CB C 13 31.26761446 0.03599452799 . . . . . . . 130 GLU CB . 53082 1
981 . 1 . 1 130 130 GLU CG C 13 36.1988648 0 . . . . . . . 130 GLU CG . 53082 1
982 . 1 . 1 130 130 GLU N N 15 129.5231304 0.01219887595 . . . . . . . 130 GLU N . 53082 1
983 . 1 . 1 131 131 LYS H H 1 7.426801794 0.004121195166 . . . . . . . 131 LYS H . 53082 1
984 . 1 . 1 131 131 LYS HA H 1 4.536677999 0.008984126381 . . . . . . . 131 LYS HA . 53082 1
985 . 1 . 1 131 131 LYS HB2 H 1 1.769256083 0.007586042172 . . . . . . . 131 LYS HB2 . 53082 1
986 . 1 . 1 131 131 LYS HB3 H 1 1.900354568 0.004262526209 . . . . . . . 131 LYS HB3 . 53082 1
987 . 1 . 1 131 131 LYS HG2 H 1 1.212061643 0.00119543642 . . . . . . . 131 LYS HG2 . 53082 1
988 . 1 . 1 131 131 LYS HG3 H 1 1.213257079 0 . . . . . . . 131 LYS HG3 . 53082 1
989 . 1 . 1 131 131 LYS C C 13 173.9776967 0.05528759499 . . . . . . . 131 LYS C . 53082 1
990 . 1 . 1 131 131 LYS CA C 13 55.62063564 0.1772189098 . . . . . . . 131 LYS CA . 53082 1
991 . 1 . 1 131 131 LYS CB C 13 35.02225826 0.05594891922 . . . . . . . 131 LYS CB . 53082 1
992 . 1 . 1 131 131 LYS CG C 13 23.98703099 0.1442322449 . . . . . . . 131 LYS CG . 53082 1
993 . 1 . 1 131 131 LYS CD C 13 29.46466005 0.1739948873 . . . . . . . 131 LYS CD . 53082 1
994 . 1 . 1 131 131 LYS CE C 13 42.45530963 0 . . . . . . . 131 LYS CE . 53082 1
995 . 1 . 1 131 131 LYS N N 15 113.8100013 0.03905358781 . . . . . . . 131 LYS N . 53082 1
996 . 1 . 1 132 132 LEU H H 1 8.668100048 0.004502356606 . . . . . . . 132 LEU H . 53082 1
997 . 1 . 1 132 132 LEU HA H 1 4.541674265 0.009818716941 . . . . . . . 132 LEU HA . 53082 1
998 . 1 . 1 132 132 LEU HB2 H 1 1.696516214 0 . . . . . . . 132 LEU HB2 . 53082 1
999 . 1 . 1 132 132 LEU HB3 H 1 1.696516214 0 . . . . . . . 132 LEU HB3 . 53082 1
1000 . 1 . 1 132 132 LEU C C 13 177.2396648 0 . . . . . . . 132 LEU C . 53082 1
1001 . 1 . 1 132 132 LEU CA C 13 54.97703554 0.01097287032 . . . . . . . 132 LEU CA . 53082 1
1002 . 1 . 1 132 132 LEU CB C 13 41.96722366 0.009234387102 . . . . . . . 132 LEU CB . 53082 1
1003 . 1 . 1 132 132 LEU CG C 13 28.22722743 0 . . . . . . . 132 LEU CG . 53082 1
1004 . 1 . 1 132 132 LEU CD1 C 13 24.88487303 0 . . . . . . . 132 LEU CD1 . 53082 1
1005 . 1 . 1 132 132 LEU N N 15 125.0966083 0.02620976914 . . . . . . . 132 LEU N . 53082 1
1006 . 1 . 1 133 133 LEU H H 1 9.034306651 0.00751426205 . . . . . . . 133 LEU H . 53082 1
1007 . 1 . 1 133 133 LEU HA H 1 4.561623727 0 . . . . . . . 133 LEU HA . 53082 1
1008 . 1 . 1 133 133 LEU HB2 H 1 1.624689006 0 . . . . . . . 133 LEU HB2 . 53082 1
1009 . 1 . 1 133 133 LEU HB3 H 1 1.816228227 0 . . . . . . . 133 LEU HB3 . 53082 1
1010 . 1 . 1 133 133 LEU C C 13 177.4608152 0 . . . . . . . 133 LEU C . 53082 1
1011 . 1 . 1 133 133 LEU CA C 13 54.73817487 0 . . . . . . . 133 LEU CA . 53082 1
1012 . 1 . 1 133 133 LEU CB C 13 42.92692266 0.03891340412 . . . . . . . 133 LEU CB . 53082 1
1013 . 1 . 1 133 133 LEU CG C 13 27.48818903 0 . . . . . . . 133 LEU CG . 53082 1
1014 . 1 . 1 133 133 LEU CD2 C 13 26.62432035 0 . . . . . . . 133 LEU CD2 . 53082 1
1015 . 1 . 1 133 133 LEU N N 15 122.6441454 0.01849794604 . . . . . . . 133 LEU N . 53082 1
1016 . 1 . 1 134 134 GLY H H 1 9.417319449 0.007579444134 . . . . . . . 134 GLY H . 53082 1
1017 . 1 . 1 134 134 GLY CA C 13 44.02744825 0 . . . . . . . 134 GLY CA . 53082 1
1018 . 1 . 1 134 134 GLY N N 15 110.17517 0.01691666272 . . . . . . . 134 GLY N . 53082 1
1019 . 1 . 1 135 135 PRO HA H 1 4.114698879 0 . . . . . . . 135 PRO HA . 53082 1
1020 . 1 . 1 135 135 PRO HB2 H 1 2.263153076 0 . . . . . . . 135 PRO HB2 . 53082 1
1021 . 1 . 1 135 135 PRO HG2 H 1 1.975844244 0 . . . . . . . 135 PRO HG2 . 53082 1
1022 . 1 . 1 135 135 PRO C C 13 177.8282327 0 . . . . . . . 135 PRO C . 53082 1
1023 . 1 . 1 135 135 PRO CA C 13 65.49070287 0 . . . . . . . 135 PRO CA . 53082 1
1024 . 1 . 1 135 135 PRO CB C 13 31.99075633 0.127790309 . . . . . . . 135 PRO CB . 53082 1
1025 . 1 . 1 135 135 PRO CG C 13 27.42304062 0 . . . . . . . 135 PRO CG . 53082 1
1026 . 1 . 1 136 136 ASN H H 1 8.637234671 0.003568601606 . . . . . . . 136 ASN H . 53082 1
1027 . 1 . 1 136 136 ASN C C 13 177.1975699 0 . . . . . . . 136 ASN C . 53082 1
1028 . 1 . 1 136 136 ASN CA C 13 54.45253209 0.133524228 . . . . . . . 136 ASN CA . 53082 1
1029 . 1 . 1 136 136 ASN CB C 13 38.8012958 0.1450641812 . . . . . . . 136 ASN CB . 53082 1
1030 . 1 . 1 136 136 ASN N N 15 113.5114936 0.005997665889 . . . . . . . 136 ASN N . 53082 1
1031 . 1 . 1 137 137 ASP H H 1 7.730639411 0.003461938749 . . . . . . . 137 ASP H . 53082 1
1032 . 1 . 1 137 137 ASP HA H 1 4.936721369 0 . . . . . . . 137 ASP HA . 53082 1
1033 . 1 . 1 137 137 ASP HB2 H 1 2.622289115 0 . . . . . . . 137 ASP HB2 . 53082 1
1034 . 1 . 1 137 137 ASP HB3 H 1 3.02930996 0 . . . . . . . 137 ASP HB3 . 53082 1
1035 . 1 . 1 137 137 ASP C C 13 176.509574 0 . . . . . . . 137 ASP C . 53082 1
1036 . 1 . 1 137 137 ASP CA C 13 57.29170033 0 . . . . . . . 137 ASP CA . 53082 1
1037 . 1 . 1 137 137 ASP CB C 13 42.3959683 0 . . . . . . . 137 ASP CB . 53082 1
1038 . 1 . 1 137 137 ASP N N 15 119.0104413 0.008260594699 . . . . . . . 137 ASP N . 53082 1
1039 . 1 . 1 141 141 TYR HA H 1 4.457873316 0 . . . . . . . 141 TYR HA . 53082 1
1040 . 1 . 1 141 141 TYR HB2 H 1 2.949501951 0 . . . . . . . 141 TYR HB2 . 53082 1
1041 . 1 . 1 141 141 TYR HB3 H 1 2.949501951 0 . . . . . . . 141 TYR HB3 . 53082 1
1042 . 1 . 1 141 141 TYR CA C 13 58.36455552 0 . . . . . . . 141 TYR CA . 53082 1
1043 . 1 . 1 141 141 TYR CB C 13 38.6770394 0 . . . . . . . 141 TYR CB . 53082 1
1044 . 1 . 1 142 142 SER H H 1 8.153583486 0.003174983368 . . . . . . . 142 SER H . 53082 1
1045 . 1 . 1 142 142 SER HA H 1 4.330180502 0 . . . . . . . 142 SER HA . 53082 1
1046 . 1 . 1 142 142 SER HB2 H 1 3.771524441 0 . . . . . . . 142 SER HB2 . 53082 1
1047 . 1 . 1 142 142 SER HB3 H 1 3.771524441 0 . . . . . . . 142 SER HB3 . 53082 1
1048 . 1 . 1 142 142 SER C C 13 174.454208 0 . . . . . . . 142 SER C . 53082 1
1049 . 1 . 1 142 142 SER CA C 13 59.13965458 0.07750990599 . . . . . . . 142 SER CA . 53082 1
1050 . 1 . 1 142 142 SER CB C 13 63.497218 0.01202695782 . . . . . . . 142 SER CB . 53082 1
1051 . 1 . 1 142 142 SER N N 15 117.3102299 0.01758592522 . . . . . . . 142 SER N . 53082 1
1052 . 1 . 1 143 143 TYR H H 1 7.961333988 0.002937280942 . . . . . . . 143 TYR H . 53082 1
1053 . 1 . 1 143 143 TYR HA H 1 4.457873316 0 . . . . . . . 143 TYR HA . 53082 1
1054 . 1 . 1 143 143 TYR HB2 H 1 3.013348358 0 . . . . . . . 143 TYR HB2 . 53082 1
1055 . 1 . 1 143 143 TYR HB3 H 1 3.017591193 0.004242834906 . . . . . . . 143 TYR HB3 . 53082 1
1056 . 1 . 1 143 143 TYR C C 13 175.9101396 0.01712860656 . . . . . . . 143 TYR C . 53082 1
1057 . 1 . 1 143 143 TYR CA C 13 58.36455552 0.155019812 . . . . . . . 143 TYR CA . 53082 1
1058 . 1 . 1 143 143 TYR CB C 13 38.36699977 0 . . . . . . . 143 TYR CB . 53082 1
1059 . 1 . 1 143 143 TYR N N 15 121.7484821 0.008171802332 . . . . . . . 143 TYR N . 53082 1
1060 . 1 . 1 144 144 LEU H H 1 7.819977692 0.002547431729 . . . . . . . 144 LEU H . 53082 1
1061 . 1 . 1 144 144 LEU C C 13 177.3660711 0 . . . . . . . 144 LEU C . 53082 1
1062 . 1 . 1 144 144 LEU CA C 13 55.41917909 0 . . . . . . . 144 LEU CA . 53082 1
1063 . 1 . 1 144 144 LEU CB C 13 42.32000498 0 . . . . . . . 144 LEU CB . 53082 1
1064 . 1 . 1 144 144 LEU N N 15 122.3973922 0 . . . . . . . 144 LEU N . 53082 1
stop_
save_