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 52141
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name hSERF2.prot
_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' . . . 52141 1
2 '3D CBCANH' . . . 52141 1
3 '3D CBCA(CO)NH' . . . 52141 1
4 '3D HNCA' . . . 52141 1
5 '3D HNCO' . . . 52141 1
6 '3D HN(CA)CO' . . . 52141 1
7 '3D 1H-15N NOESY' . . . 52141 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 . . 52141 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 H H 1 8.307 0.018 . 1 . . . . . 1 M H . 52141 1
2 . 1 . 1 1 1 MET HA H 1 4.089 0.146 . 1 . . . . . 1 M HA . 52141 1
3 . 1 . 1 1 1 MET HB2 H 1 1.512 0.187 . 1 . . . . . 1 M HB2 . 52141 1
4 . 1 . 1 1 1 MET HB3 H 1 1.639 0.128 . 1 . . . . . 1 M HB3 . 52141 1
5 . 1 . 1 1 1 MET HG2 H 1 2.694 0.175 . 2 . . . . . 1 M QG . 52141 1
6 . 1 . 1 1 1 MET HG3 H 1 2.694 0.175 . 2 . . . . . 1 M QG . 52141 1
7 . 1 . 1 1 1 MET C C 13 173.428 0.000 . 1 . . . . . 1 M C . 52141 1
8 . 1 . 1 1 1 MET CA C 13 52.663 0.000 . 1 . . . . . 1 M CA . 52141 1
9 . 1 . 1 1 1 MET CB C 13 29.990 0.000 . 1 . . . . . 1 M CB . 52141 1
10 . 1 . 1 1 1 MET N N 15 124.287 0.135 . 1 . . . . . 1 M N . 52141 1
11 . 1 . 1 2 2 THR H H 1 8.116 0.007 . 1 . . . . . 2 T H . 52141 1
12 . 1 . 1 2 2 THR HA H 1 4.005 0.000 . 1 . . . . . 2 T HA . 52141 1
13 . 1 . 1 2 2 THR HB H 1 3.891 0.000 . 1 . . . . . 2 T HB . 52141 1
14 . 1 . 1 2 2 THR HG21 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1
15 . 1 . 1 2 2 THR HG22 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1
16 . 1 . 1 2 2 THR HG23 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1
17 . 1 . 1 2 2 THR C C 13 173.586 0.000 . 1 . . . . . 2 T C . 52141 1
18 . 1 . 1 2 2 THR CA C 13 59.007 0.000 . 1 . . . . . 2 T CA . 52141 1
19 . 1 . 1 2 2 THR CB C 13 66.965 0.000 . 1 . . . . . 2 T CB . 52141 1
20 . 1 . 1 2 2 THR N N 15 117.304 0.093 . 1 . . . . . 2 T N . 52141 1
21 . 1 . 1 3 3 ARG H H 1 8.291 0.023 . 1 . . . . . 3 R H . 52141 1
22 . 1 . 1 3 3 ARG HA H 1 4.014 0.003 . 1 . . . . . 3 R HA . 52141 1
23 . 1 . 1 3 3 ARG HB2 H 1 1.461 0.002 . 1 . . . . . 3 R HB2 . 52141 1
24 . 1 . 1 3 3 ARG HB3 H 1 1.545 0.001 . 1 . . . . . 3 R HB3 . 52141 1
25 . 1 . 1 3 3 ARG HG2 H 1 1.306 0.007 . 1 . . . . . 3 R HG2 . 52141 1
26 . 1 . 1 3 3 ARG HG3 H 1 1.345 0.002 . 1 . . . . . 3 R HG3 . 52141 1
27 . 1 . 1 3 3 ARG HD2 H 1 3.740 0.150 . 2 . . . . . 3 R QD . 52141 1
28 . 1 . 1 3 3 ARG HD3 H 1 3.740 0.150 . 2 . . . . . 3 R QD . 52141 1
29 . 1 . 1 3 3 ARG C C 13 174.087 0.000 . 1 . . . . . 3 R C . 52141 1
30 . 1 . 1 3 3 ARG CA C 13 53.478 0.000 . 1 . . . . . 3 R CA . 52141 1
31 . 1 . 1 3 3 ARG CB C 13 27.691 0.000 . 1 . . . . . 3 R CB . 52141 1
32 . 1 . 1 3 3 ARG N N 15 124.164 0.002 . 1 . . . . . 3 R N . 52141 1
33 . 1 . 1 4 4 GLY H H 1 8.250 0.000 . 1 . . . . . 4 G H . 52141 1
34 . 1 . 1 4 4 GLY HA2 H 1 3.624 0.002 . 1 . . . . . 4 G HA . 52141 1
35 . 1 . 1 4 4 GLY HA3 H 1 3.624 0.002 . 1 . . . . . 4 G HA . 52141 1
36 . 1 . 1 4 4 GLY C C 13 171.177 0.000 . 1 . . . . . 4 G C . 52141 1
37 . 1 . 1 4 4 GLY CA C 13 42.399 0.000 . 1 . . . . . 4 G CA . 52141 1
38 . 1 . 1 4 4 GLY N N 15 110.360 0.035 . 1 . . . . . 4 G N . 52141 1
39 . 1 . 1 5 5 ASN H H 1 8.098 0.002 . 1 . . . . . 5 N H . 52141 1
40 . 1 . 1 5 5 ASN HA H 1 4.375 0.030 . 1 . . . . . 5 N HA . 52141 1
41 . 1 . 1 5 5 ASN HB2 H 1 2.455 0.000 . 1 . . . . . 5 N HB2 . 52141 1
42 . 1 . 1 5 5 ASN HB3 H 1 2.542 0.001 . 1 . . . . . 5 N HB3 . 52141 1
43 . 1 . 1 5 5 ASN C C 13 172.609 0.000 . 1 . . . . . 5 N C . 52141 1
44 . 1 . 1 5 5 ASN CA C 13 50.412 0.000 . 1 . . . . . 5 N CA . 52141 1
45 . 1 . 1 5 5 ASN CB C 13 35.560 0.000 . 1 . . . . . 5 N CB . 52141 1
46 . 1 . 1 5 5 ASN N N 15 119.499 0.006 . 1 . . . . . 5 N N . 52141 1
47 . 1 . 1 6 6 GLN H H 1 7.770 0.003 . 1 . . . . . 6 Q H . 52141 1
48 . 1 . 1 6 6 GLN HA H 1 3.893 0.000 . 1 . . . . . 6 Q HA . 52141 1
49 . 1 . 1 6 6 GLN HB2 H 1 1.672 0.001 . 1 . . . . . 6 Q HB2 . 52141 1
50 . 1 . 1 6 6 GLN HB3 H 1 1.717 0.002 . 1 . . . . . 6 Q HB3 . 52141 1
51 . 1 . 1 6 6 GLN HG2 H 1 1.918 0.002 . 1 . . . . . 6 Q HG2 . 52141 1
52 . 1 . 1 6 6 GLN HG3 H 1 2.034 0.000 . 1 . . . . . 6 Q HG3 . 52141 1
53 . 1 . 1 6 6 GLN C C 13 173.530 0.000 . 1 . . . . . 6 Q C . 52141 1
54 . 1 . 1 6 6 GLN CA C 13 53.870 0.000 . 1 . . . . . 6 Q CA . 52141 1
55 . 1 . 1 6 6 GLN CB C 13 27.185 0.000 . 1 . . . . . 6 Q CB . 52141 1
56 . 1 . 1 6 6 GLN N N 15 121.483 0.054 . 1 . . . . . 6 Q N . 52141 1
57 . 1 . 1 7 7 ARG H H 1 7.990 0.002 . 1 . . . . . 7 R H . 52141 1
58 . 1 . 1 7 7 ARG HA H 1 3.954 0.002 . 1 . . . . . 7 R HA . 52141 1
59 . 1 . 1 7 7 ARG HB2 H 1 1.499 0.002 . 1 . . . . . 7 R HB2 . 52141 1
60 . 1 . 1 7 7 ARG HB3 H 1 1.446 0.001 . 1 . . . . . 7 R HB3 . 52141 1
61 . 1 . 1 7 7 ARG HG2 H 1 1.099 0.002 . 2 . . . . . 7 R QG . 52141 1
62 . 1 . 1 7 7 ARG HG3 H 1 1.099 0.002 . 2 . . . . . 7 R QG . 52141 1
63 . 1 . 1 7 7 ARG HD2 H 1 2.648 0.000 . 2 . . . . . 7 R QD . 52141 1
64 . 1 . 1 7 7 ARG HD3 H 1 2.648 0.000 . 2 . . . . . 7 R QD . 52141 1
65 . 1 . 1 7 7 ARG CA C 13 53.394 0.000 . 1 . . . . . 7 R CA . 52141 1
66 . 1 . 1 7 7 ARG CB C 13 29.856 0.000 . 1 . . . . . 7 R CB . 52141 1
67 . 1 . 1 7 7 ARG N N 15 122.977 0.099 . 1 . . . . . 7 R N . 52141 1
68 . 1 . 1 8 8 GLU C C 13 174.706 0.000 . 1 . . . . . 8 E C . 52141 1
69 . 1 . 1 9 9 LEU H H 1 7.893 0.003 . 1 . . . . . 9 L H . 52141 1
70 . 1 . 1 9 9 LEU HA H 1 3.868 0.004 . 1 . . . . . 9 L HA . 52141 1
71 . 1 . 1 9 9 LEU HD11 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
72 . 1 . 1 9 9 LEU HD12 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
73 . 1 . 1 9 9 LEU HD13 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
74 . 1 . 1 9 9 LEU HD21 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
75 . 1 . 1 9 9 LEU HD22 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
76 . 1 . 1 9 9 LEU HD23 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1
77 . 1 . 1 9 9 LEU C C 13 173.298 0.000 . 1 . . . . . 9 L C . 52141 1
78 . 1 . 1 9 9 LEU CA C 13 54.042 0.000 . 1 . . . . . 9 L CA . 52141 1
79 . 1 . 1 9 9 LEU CB C 13 38.891 0.000 . 1 . . . . . 9 L CB . 52141 1
80 . 1 . 1 9 9 LEU N N 15 121.780 0.002 . 1 . . . . . 9 L N . 52141 1
81 . 1 . 1 10 10 ALA H H 1 7.781 0.002 . 1 . . . . . 10 A H . 52141 1
82 . 1 . 1 10 10 ALA HA H 1 3.854 0.000 . 1 . . . . . 10 A HA . 52141 1
83 . 1 . 1 10 10 ALA HB1 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1
84 . 1 . 1 10 10 ALA HB2 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1
85 . 1 . 1 10 10 ALA HB3 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1
86 . 1 . 1 10 10 ALA C C 13 175.822 0.000 . 1 . . . . . 10 A C . 52141 1
87 . 1 . 1 10 10 ALA CA C 13 50.688 0.000 . 1 . . . . . 10 A CA . 52141 1
88 . 1 . 1 10 10 ALA CB C 13 15.475 0.000 . 1 . . . . . 10 A CB . 52141 1
89 . 1 . 1 10 10 ALA N N 15 123.400 0.022 . 1 . . . . . 10 A N . 52141 1
90 . 1 . 1 11 11 ARG H H 1 7.764 0.001 . 1 . . . . . 11 R H . 52141 1
91 . 1 . 1 11 11 ARG HA H 1 3.864 0.000 . 1 . . . . . 11 R HA . 52141 1
92 . 1 . 1 11 11 ARG HB2 H 1 1.513 0.000 . 1 . . . . . 11 R HB2 . 52141 1
93 . 1 . 1 11 11 ARG HB3 H 1 1.591 0.002 . 1 . . . . . 11 R HB3 . 52141 1
94 . 1 . 1 11 11 ARG HG2 H 1 1.262 0.002 . 1 . . . . . 11 R HG2 . 52141 1
95 . 1 . 1 11 11 ARG HG3 H 1 1.376 0.000 . 1 . . . . . 11 R HG3 . 52141 1
96 . 1 . 1 11 11 ARG HD2 H 1 2.873 0.006 . 2 . . . . . 11 R QD . 52141 1
97 . 1 . 1 11 11 ARG HD3 H 1 2.873 0.006 . 2 . . . . . 11 R QD . 52141 1
98 . 1 . 1 11 11 ARG C C 13 174.749 0.000 . 1 . . . . . 11 R C . 52141 1
99 . 1 . 1 11 11 ARG CA C 13 54.512 0.000 . 1 . . . . . 11 R CA . 52141 1
100 . 1 . 1 11 11 ARG CB C 13 27.376 0.000 . 1 . . . . . 11 R CB . 52141 1
101 . 1 . 1 11 11 ARG N N 15 120.179 0.002 . 1 . . . . . 11 R N . 52141 1
102 . 1 . 1 12 12 GLN H H 1 7.943 0.002 . 1 . . . . . 12 Q H . 52141 1
103 . 1 . 1 12 12 GLN HA H 1 3.858 0.000 . 1 . . . . . 12 Q HA . 52141 1
104 . 1 . 1 12 12 GLN HB2 H 1 1.729 0.000 . 1 . . . . . 12 Q HB2 . 52141 1
105 . 1 . 1 12 12 GLN HB3 H 1 1.805 0.004 . 1 . . . . . 12 Q HB3 . 52141 1
106 . 1 . 1 12 12 GLN HG2 H 1 2.147 0.000 . 2 . . . . . 12 Q QG . 52141 1
107 . 1 . 1 12 12 GLN HG3 H 1 2.147 0.000 . 2 . . . . . 12 Q QG . 52141 1
108 . 1 . 1 12 12 GLN C C 13 173.881 0.000 . 1 . . . . . 12 Q C . 52141 1
109 . 1 . 1 12 12 GLN CA C 13 54.002 0.000 . 1 . . . . . 12 Q CA . 52141 1
110 . 1 . 1 12 12 GLN CB C 13 25.859 0.000 . 1 . . . . . 12 Q CB . 52141 1
111 . 1 . 1 12 12 GLN N N 15 120.392 0.040 . 1 . . . . . 12 Q N . 52141 1
112 . 1 . 1 13 13 LYS H H 1 7.848 0.004 . 1 . . . . . 13 K H . 52141 1
113 . 1 . 1 13 13 LYS HA H 1 3.857 0.005 . 1 . . . . . 13 K HA . 52141 1
114 . 1 . 1 13 13 LYS HG2 H 1 1.093 0.001 . 1 . . . . . 13 K HG2 . 52141 1
115 . 1 . 1 13 13 LYS HG3 H 1 1.176 0.003 . 1 . . . . . 13 K HG3 . 52141 1
116 . 1 . 1 13 13 LYS HD2 H 1 1.352 0.000 . 2 . . . . . 13 K QD . 52141 1
117 . 1 . 1 13 13 LYS HD3 H 1 1.352 0.000 . 2 . . . . . 13 K QD . 52141 1
118 . 1 . 1 13 13 LYS C C 13 174.169 0.000 . 1 . . . . . 13 K C . 52141 1
119 . 1 . 1 13 13 LYS CA C 13 54.619 0.000 . 1 . . . . . 13 K CA . 52141 1
120 . 1 . 1 13 13 LYS CB C 13 29.796 0.000 . 1 . . . . . 13 K CB . 52141 1
121 . 1 . 1 13 13 LYS N N 15 122.140 0.006 . 1 . . . . . 13 K N . 52141 1
122 . 1 . 1 14 14 ASN H H 1 8.009 0.003 . 1 . . . . . 14 N H . 52141 1
123 . 1 . 1 14 14 ASN HA H 1 4.319 0.002 . 1 . . . . . 14 N HA . 52141 1
124 . 1 . 1 14 14 ASN HB2 H 1 2.452 0.001 . 1 . . . . . 14 N HB2 . 52141 1
125 . 1 . 1 14 14 ASN HB3 H 1 2.531 0.003 . 1 . . . . . 14 N HB3 . 52141 1
126 . 1 . 1 14 14 ASN C C 13 172.779 0.000 . 1 . . . . . 14 N C . 52141 1
127 . 1 . 1 14 14 ASN CA C 13 50.856 0.000 . 1 . . . . . 14 N CA . 52141 1
128 . 1 . 1 14 14 ASN CB C 13 35.580 0.000 . 1 . . . . . 14 N CB . 52141 1
129 . 1 . 1 14 14 ASN N N 15 118.975 0.002 . 1 . . . . . 14 N N . 52141 1
130 . 1 . 1 15 15 MET H H 1 7.897 0.002 . 1 . . . . . 15 M H . 52141 1
131 . 1 . 1 15 15 MET HA H 1 4.084 0.000 . 1 . . . . . 15 M HA . 52141 1
132 . 1 . 1 15 15 MET HB2 H 1 1.711 0.002 . 1 . . . . . 15 M HB2 . 52141 1
133 . 1 . 1 15 15 MET HB3 H 1 1.785 0.000 . 1 . . . . . 15 M HB3 . 52141 1
134 . 1 . 1 15 15 MET HG2 H 1 2.227 0.000 . 1 . . . . . 15 M HG2 . 52141 1
135 . 1 . 1 15 15 MET HG3 H 1 2.321 0.004 . 1 . . . . . 15 M HG3 . 52141 1
136 . 1 . 1 15 15 MET C C 13 173.787 0.000 . 1 . . . . . 15 M C . 52141 1
137 . 1 . 1 15 15 MET CA C 13 53.072 0.000 . 1 . . . . . 15 M CA . 52141 1
138 . 1 . 1 15 15 MET CB C 13 29.631 0.000 . 1 . . . . . 15 M CB . 52141 1
139 . 1 . 1 15 15 MET N N 15 121.188 0.044 . 1 . . . . . 15 M N . 52141 1
140 . 1 . 1 16 16 LYS H H 1 7.913 0.003 . 1 . . . . . 16 K H . 52141 1
141 . 1 . 1 16 16 LYS HA H 1 3.926 0.000 . 1 . . . . . 16 K HA . 52141 1
142 . 1 . 1 16 16 LYS CA C 13 53.623 0.000 . 1 . . . . . 16 K CA . 52141 1
143 . 1 . 1 16 16 LYS CB C 13 29.692 0.000 . 1 . . . . . 16 K CB . 52141 1
144 . 1 . 1 16 16 LYS N N 15 122.813 0.007 . 1 . . . . . 16 K N . 52141 1
145 . 1 . 1 18 18 GLN HA H 1 3.977 0.000 . 1 . . . . . 18 Q HA . 52141 1
146 . 1 . 1 18 18 GLN HB2 H 1 1.705 0.000 . 1 . . . . . 18 Q HB2 . 52141 1
147 . 1 . 1 18 18 GLN HB3 H 1 1.793 0.000 . 1 . . . . . 18 Q HB3 . 52141 1
148 . 1 . 1 18 18 GLN HG2 H 1 2.076 0.000 . 2 . . . . . 18 Q QG . 52141 1
149 . 1 . 1 18 18 GLN HG3 H 1 2.076 0.000 . 2 . . . . . 18 Q QG . 52141 1
150 . 1 . 1 18 18 GLN C C 13 173.589 0.000 . 1 . . . . . 18 Q C . 52141 1
151 . 1 . 1 18 18 GLN CA C 13 53.326 0.000 . 1 . . . . . 18 Q CA . 52141 1
152 . 1 . 1 18 18 GLN CB C 13 26.321 0.000 . 1 . . . . . 18 Q CB . 52141 1
153 . 1 . 1 19 19 SER H H 1 8.173 0.001 . 1 . . . . . 19 S H . 52141 1
154 . 1 . 1 19 19 SER HA H 1 4.061 0.006 . 1 . . . . . 19 S HA . 52141 1
155 . 1 . 1 19 19 SER HB2 H 1 3.535 0.001 . 1 . . . . . 19 S HB2 . 52141 1
156 . 1 . 1 19 19 SER HB3 H 1 3.602 0.001 . 1 . . . . . 19 S HB3 . 52141 1
157 . 1 . 1 19 19 SER C C 13 171.791 0.000 . 1 . . . . . 19 S C . 52141 1
158 . 1 . 1 19 19 SER CA C 13 55.931 0.000 . 1 . . . . . 19 S CA . 52141 1
159 . 1 . 1 19 19 SER CB C 13 60.591 0.000 . 1 . . . . . 19 S CB . 52141 1
160 . 1 . 1 19 19 SER N N 15 117.655 0.006 . 1 . . . . . 19 S N . 52141 1
161 . 1 . 1 20 20 ASP H H 1 8.162 0.004 . 1 . . . . . 20 D H . 52141 1
162 . 1 . 1 20 20 ASP HA H 1 4.291 0.002 . 1 . . . . . 20 D HA . 52141 1
163 . 1 . 1 20 20 ASP HB2 H 1 2.365 0.001 . 2 . . . . . 20 D QB . 52141 1
164 . 1 . 1 20 20 ASP HB3 H 1 2.365 0.001 . 2 . . . . . 20 D QB . 52141 1
165 . 1 . 1 20 20 ASP C C 13 173.757 0.000 . 1 . . . . . 20 D C . 52141 1
166 . 1 . 1 20 20 ASP CA C 13 51.831 0.000 . 1 . . . . . 20 D CA . 52141 1
167 . 1 . 1 20 20 ASP CB C 13 37.993 0.000 . 1 . . . . . 20 D CB . 52141 1
168 . 1 . 1 20 20 ASP N N 15 123.219 0.011 . 1 . . . . . 20 D N . 52141 1
169 . 1 . 1 21 21 SER H H 1 7.929 0.003 . 1 . . . . . 21 S H . 52141 1
170 . 1 . 1 21 21 SER HA H 1 4.087 0.002 . 1 . . . . . 21 S HA . 52141 1
171 . 1 . 1 21 21 SER HB2 H 1 3.556 0.000 . 2 . . . . . 21 S QB . 52141 1
172 . 1 . 1 21 21 SER HB3 H 1 3.556 0.000 . 2 . . . . . 21 S QB . 52141 1
173 . 1 . 1 21 21 SER C C 13 171.893 0.000 . 1 . . . . . 21 S C . 52141 1
174 . 1 . 1 21 21 SER CA C 13 55.881 0.000 . 1 . . . . . 21 S CA . 52141 1
175 . 1 . 1 21 21 SER CB C 13 60.762 0.000 . 1 . . . . . 21 S CB . 52141 1
176 . 1 . 1 21 21 SER N N 15 116.434 0.024 . 1 . . . . . 21 S N . 52141 1
177 . 1 . 1 22 22 VAL H H 1 7.796 0.002 . 1 . . . . . 22 V H . 52141 1
178 . 1 . 1 22 22 VAL HA H 1 3.853 0.108 . 1 . . . . . 22 V HA . 52141 1
179 . 1 . 1 22 22 VAL HB H 1 1.783 0.000 . 1 . . . . . 22 V HB . 52141 1
180 . 1 . 1 22 22 VAL HG11 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
181 . 1 . 1 22 22 VAL HG12 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
182 . 1 . 1 22 22 VAL HG13 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
183 . 1 . 1 22 22 VAL HG21 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
184 . 1 . 1 22 22 VAL HG22 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
185 . 1 . 1 22 22 VAL HG23 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1
186 . 1 . 1 22 22 VAL C C 13 173.634 0.000 . 1 . . . . . 22 V C . 52141 1
187 . 1 . 1 22 22 VAL CA C 13 59.883 0.000 . 1 . . . . . 22 V CA . 52141 1
188 . 1 . 1 22 22 VAL CB C 13 29.357 0.000 . 1 . . . . . 22 V CB . 52141 1
189 . 1 . 1 22 22 VAL N N 15 122.351 0.002 . 1 . . . . . 22 V N . 52141 1
190 . 1 . 1 23 23 LYS H H 1 8.089 0.003 . 1 . . . . . 23 K H . 52141 1
191 . 1 . 1 23 23 LYS HA H 1 3.936 0.000 . 1 . . . . . 23 K HA . 52141 1
192 . 1 . 1 23 23 LYS HB2 H 1 1.448 0.000 . 1 . . . . . 23 K HB2 . 52141 1
193 . 1 . 1 23 23 LYS HB3 H 1 1.510 0.000 . 1 . . . . . 23 K HB3 . 52141 1
194 . 1 . 1 23 23 LYS HG2 H 1 1.088 0.000 . 1 . . . . . 23 K HG1 . 52141 1
195 . 1 . 1 23 23 LYS HG3 H 1 1.161 0.001 . 1 . . . . . 23 K HG3 . 52141 1
196 . 1 . 1 23 23 LYS HD2 H 1 1.332 0.000 . 2 . . . . . 23 K QD . 52141 1
197 . 1 . 1 23 23 LYS HD3 H 1 1.332 0.000 . 2 . . . . . 23 K QD . 52141 1
198 . 1 . 1 23 23 LYS C C 13 174.376 0.000 . 1 . . . . . 23 K C . 52141 1
199 . 1 . 1 23 23 LYS CA C 13 53.839 0.000 . 1 . . . . . 23 K CA . 52141 1
200 . 1 . 1 23 23 LYS CB C 13 29.795 0.000 . 1 . . . . . 23 K CB . 52141 1
201 . 1 . 1 23 23 LYS N N 15 125.301 0.054 . 1 . . . . . 23 K N . 52141 1
202 . 1 . 1 24 24 GLY H H 1 8.111 0.000 . 1 . . . . . 24 G H . 52141 1
203 . 1 . 1 24 24 GLY HA2 H 1 3.593 0.007 . 1 . . . . . 24 G HA . 52141 1
204 . 1 . 1 24 24 GLY HA3 H 1 3.593 0.007 . 1 . . . . . 24 G HA . 52141 1
205 . 1 . 1 24 24 GLY C C 13 175.112 0.000 . 1 . . . . . 24 G C . 52141 1
206 . 1 . 1 24 24 GLY CA C 13 42.106 0.000 . 1 . . . . . 24 G CA . 52141 1
207 . 1 . 1 24 24 GLY N N 15 110.324 0.041 . 1 . . . . . 24 G N . 52141 1
208 . 1 . 1 25 25 LYS H H 1 7.839 0.006 . 1 . . . . . 25 K H . 52141 1
209 . 1 . 1 25 25 LYS HA H 1 3.834 0.000 . 1 . . . . . 25 K HA . 52141 1
210 . 1 . 1 25 25 LYS C C 13 176.142 0.000 . 1 . . . . . 25 K C . 52141 1
211 . 1 . 1 25 25 LYS N N 15 120.296 0.001 . 1 . . . . . 25 K N . 52141 1
212 . 1 . 1 26 26 ARG H H 1 7.611 0.008 . 1 . . . . . 26 R H . 52141 1
213 . 1 . 1 26 26 ARG HA H 1 3.811 0.000 . 1 . . . . . 26 R HA . 52141 1
214 . 1 . 1 26 26 ARG HB2 H 1 1.212 0.000 . 1 . . . . . 26 R HB2 . 52141 1
215 . 1 . 1 26 26 ARG HB3 H 1 1.366 0.000 . 1 . . . . . 26 R HB3 . 52141 1
216 . 1 . 1 26 26 ARG HG2 H 1 1.115 0.001 . 2 . . . . . 26 R QG . 52141 1
217 . 1 . 1 26 26 ARG HG3 H 1 1.115 0.001 . 2 . . . . . 26 R QG . 52141 1
218 . 1 . 1 26 26 ARG C C 13 177.554 0.000 . 1 . . . . . 26 R C . 52141 1
219 . 1 . 1 26 26 ARG CA C 13 56.085 0.000 . 1 . . . . . 26 R CA . 52141 1
220 . 1 . 1 26 26 ARG CB C 13 27.131 0.000 . 1 . . . . . 26 R CB . 52141 1
221 . 1 . 1 26 26 ARG N N 15 120.303 0.021 . 1 . . . . . 26 R N . 52141 1
222 . 1 . 1 27 27 ARG H H 1 8.135 0.001 . 1 . . . . . 27 R H . 52141 1
223 . 1 . 1 27 27 ARG HA H 1 3.799 0.000 . 1 . . . . . 27 R HA . 52141 1
224 . 1 . 1 27 27 ARG C C 13 174.243 0.000 . 1 . . . . . 27 R C . 52141 1
225 . 1 . 1 27 27 ARG CA C 13 51.762 0.000 . 1 . . . . . 27 R CA . 52141 1
226 . 1 . 1 27 27 ARG CB C 13 27.121 0.000 . 1 . . . . . 27 R CB . 52141 1
227 . 1 . 1 27 27 ARG N N 15 121.255 0.000 . 1 . . . . . 27 R N . 52141 1
228 . 1 . 1 28 28 ASP H H 1 8.209 0.006 . 1 . . . . . 28 D H . 52141 1
229 . 1 . 1 28 28 ASP HA H 1 4.305 0.002 . 1 . . . . . 28 D HA . 52141 1
230 . 1 . 1 28 28 ASP HB2 H 1 2.325 0.000 . 1 . . . . . 28 D HB2 . 52141 1
231 . 1 . 1 28 28 ASP HB3 H 1 2.407 0.000 . 1 . . . . . 28 D HB3 . 52141 1
232 . 1 . 1 28 28 ASP C C 13 173.159 0.000 . 1 . . . . . 28 D C . 52141 1
233 . 1 . 1 28 28 ASP CA C 13 53.475 0.000 . 1 . . . . . 28 D CA . 52141 1
234 . 1 . 1 28 28 ASP CB C 13 38.120 0.000 . 1 . . . . . 28 D CB . 52141 1
235 . 1 . 1 28 28 ASP N N 15 122.573 0.046 . 1 . . . . . 28 D N . 52141 1
236 . 1 . 1 29 29 ASP H H 1 7.993 0.003 . 1 . . . . . 29 D H . 52141 1
237 . 1 . 1 29 29 ASP HA H 1 4.206 0.006 . 1 . . . . . 29 D HA . 52141 1
238 . 1 . 1 29 29 ASP HB2 H 1 2.355 0.001 . 1 . . . . . 29 D HB2 . 52141 1
239 . 1 . 1 29 29 ASP HB3 H 1 2.433 0.002 . 1 . . . . . 29 D HB3 . 52141 1
240 . 1 . 1 29 29 ASP C C 13 174.231 0.000 . 1 . . . . . 29 D C . 52141 1
241 . 1 . 1 29 29 ASP CA C 13 51.627 0.000 . 1 . . . . . 29 D CA . 52141 1
242 . 1 . 1 29 29 ASP CB C 13 37.880 0.000 . 1 . . . . . 29 D CB . 52141 1
243 . 1 . 1 29 29 ASP N N 15 121.896 0.041 . 1 . . . . . 29 D N . 52141 1
244 . 1 . 1 30 30 GLY H H 1 8.196 0.001 . 1 . . . . . 30 G H . 52141 1
245 . 1 . 1 30 30 GLY HA2 H 1 3.591 0.001 . 1 . . . . . 30 G HA . 52141 1
246 . 1 . 1 30 30 GLY HA3 H 1 3.591 0.001 . 1 . . . . . 30 G HA . 52141 1
247 . 1 . 1 30 30 GLY C C 13 171.703 0.000 . 1 . . . . . 30 G C . 52141 1
248 . 1 . 1 30 30 GLY CA C 13 42.694 0.000 . 1 . . . . . 30 G CA . 52141 1
249 . 1 . 1 30 30 GLY N N 15 109.371 0.015 . 1 . . . . . 30 G N . 52141 1
250 . 1 . 1 31 31 LEU H H 1 7.723 0.002 . 1 . . . . . 31 L H . 52141 1
251 . 1 . 1 31 31 LEU HA H 1 3.995 0.091 . 1 . . . . . 31 L HA . 52141 1
252 . 1 . 1 31 31 LEU HB2 H 1 1.192 0.013 . 2 . . . . . 31 L QB . 52141 1
253 . 1 . 1 31 31 LEU HB3 H 1 1.192 0.013 . 2 . . . . . 31 L QB . 52141 1
254 . 1 . 1 31 31 LEU HG H 1 1.388 0.002 . 1 . . . . . 31 L HG . 52141 1
255 . 1 . 1 31 31 LEU HD11 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
256 . 1 . 1 31 31 LEU HD12 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
257 . 1 . 1 31 31 LEU HD13 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
258 . 1 . 1 31 31 LEU HD21 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
259 . 1 . 1 31 31 LEU HD22 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
260 . 1 . 1 31 31 LEU HD23 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1
261 . 1 . 1 31 31 LEU C C 13 175.162 0.000 . 1 . . . . . 31 L C . 52141 1
262 . 1 . 1 31 31 LEU CA C 13 52.257 0.000 . 1 . . . . . 31 L CA . 52141 1
263 . 1 . 1 31 31 LEU CB C 13 39.840 0.000 . 1 . . . . . 31 L CB . 52141 1
264 . 1 . 1 31 31 LEU N N 15 121.803 0.001 . 1 . . . . . 31 L N . 52141 1
265 . 1 . 1 32 32 SER H H 1 8.175 0.003 . 1 . . . . . 32 S H . 52141 1
266 . 1 . 1 32 32 SER HA H 1 4.079 0.004 . 1 . . . . . 32 S HA . 52141 1
267 . 1 . 1 32 32 SER HB2 H 1 3.709 0.000 . 1 . . . . . 32 S HB2 . 52141 1
268 . 1 . 1 32 32 SER HB3 H 1 3.904 0.000 . 1 . . . . . 32 S HB3 . 52141 1
269 . 1 . 1 32 32 SER C C 13 171.861 0.000 . 1 . . . . . 32 S C . 52141 1
270 . 1 . 1 32 32 SER CA C 13 55.208 0.000 . 1 . . . . . 32 S CA . 52141 1
271 . 1 . 1 32 32 SER CB C 13 61.232 0.000 . 1 . . . . . 32 S CB . 52141 1
272 . 1 . 1 32 32 SER N N 15 118.497 0.014 . 1 . . . . . 32 S N . 52141 1
273 . 1 . 1 33 33 ALA H H 1 8.442 0.001 . 1 . . . . . 33 A H . 52141 1
274 . 1 . 1 33 33 ALA HA H 1 3.776 0.005 . 1 . . . . . 33 A HA . 52141 1
275 . 1 . 1 33 33 ALA HB1 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1
276 . 1 . 1 33 33 ALA HB2 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1
277 . 1 . 1 33 33 ALA HB3 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1
278 . 1 . 1 33 33 ALA C C 13 174.755 0.000 . 1 . . . . . 33 A C . 52141 1
279 . 1 . 1 33 33 ALA CA C 13 52.167 0.000 . 1 . . . . . 33 A CA . 52141 1
280 . 1 . 1 33 33 ALA CB C 13 14.922 0.000 . 1 . . . . . 33 A CB . 52141 1
281 . 1 . 1 33 33 ALA N N 15 124.945 0.007 . 1 . . . . . 33 A N . 52141 1
282 . 1 . 1 34 34 ALA H H 1 7.813 0.006 . 1 . . . . . 34 A H . 52141 1
283 . 1 . 1 34 34 ALA HA H 1 3.829 0.000 . 1 . . . . . 34 A HA . 52141 1
284 . 1 . 1 34 34 ALA HB1 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1
285 . 1 . 1 34 34 ALA HB2 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1
286 . 1 . 1 34 34 ALA HB3 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1
287 . 1 . 1 34 34 ALA C C 13 175.633 0.000 . 1 . . . . . 34 A C . 52141 1
288 . 1 . 1 34 34 ALA CA C 13 55.131 0.000 . 1 . . . . . 34 A CA . 52141 1
289 . 1 . 1 34 34 ALA CB C 13 25.372 0.000 . 1 . . . . . 34 A CB . 52141 1
290 . 1 . 1 34 34 ALA N N 15 121.081 0.031 . 1 . . . . . 34 A N . 52141 1
291 . 1 . 1 35 35 ALA H H 1 7.765 0.013 . 1 . . . . . 35 A H . 52141 1
292 . 1 . 1 35 35 ALA HA H 1 3.879 0.000 . 1 . . . . . 35 A HA . 52141 1
293 . 1 . 1 35 35 ALA HB1 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1
294 . 1 . 1 35 35 ALA HB2 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1
295 . 1 . 1 35 35 ALA HB3 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1
296 . 1 . 1 35 35 ALA C C 13 173.425 0.000 . 1 . . . . . 35 A C . 52141 1
297 . 1 . 1 35 35 ALA N N 15 123.385 0.034 . 1 . . . . . 35 A N . 52141 1
298 . 1 . 1 36 36 ARG H H 1 8.118 0.001 . 1 . . . . . 36 R H . 52141 1
299 . 1 . 1 36 36 ARG HA H 1 3.961 0.000 . 1 . . . . . 36 R HA . 52141 1
300 . 1 . 1 36 36 ARG HB3 H 1 1.490 0.000 . 1 . . . . . 36 R HB3 . 52141 1
301 . 1 . 1 36 36 ARG HD2 H 1 2.638 0.006 . 2 . . . . . 36 R QD . 52141 1
302 . 1 . 1 36 36 ARG HD3 H 1 2.638 0.006 . 2 . . . . . 36 R QD . 52141 1
303 . 1 . 1 36 36 ARG CA C 13 53.247 0.000 . 1 . . . . . 36 R CA . 52141 1
304 . 1 . 1 36 36 ARG CB C 13 29.982 0.000 . 1 . . . . . 36 R CB . 52141 1
305 . 1 . 1 36 36 ARG N N 15 124.349 0.002 . 1 . . . . . 36 R N . 52141 1
306 . 1 . 1 37 37 LYS C C 13 174.532 0.000 . 1 . . . . . 37 K C . 52141 1
307 . 1 . 1 37 37 LYS CA C 13 55.675 0.000 . 1 . . . . . 37 K CA . 52141 1
308 . 1 . 1 37 37 LYS CB C 13 27.208 0.000 . 1 . . . . . 37 K CB . 52141 1
309 . 1 . 1 38 38 GLN H H 1 7.621 0.002 . 1 . . . . . 38 Q H . 52141 1
310 . 1 . 1 38 38 GLN HA H 1 3.859 0.000 . 1 . . . . . 38 Q HA . 52141 1
311 . 1 . 1 38 38 GLN HB2 H 1 1.801 0.000 . 2 . . . . . 38 Q QB . 52141 1
312 . 1 . 1 38 38 GLN HB3 H 1 1.801 0.000 . 2 . . . . . 38 Q QB . 52141 1
313 . 1 . 1 38 38 GLN HG2 H 1 2.073 0.000 . 2 . . . . . 38 Q QG . 52141 1
314 . 1 . 1 38 38 GLN HG3 H 1 2.073 0.000 . 2 . . . . . 38 Q QG . 52141 1
315 . 1 . 1 38 38 GLN CA C 13 55.909 0.000 . 1 . . . . . 38 Q CA . 52141 1
316 . 1 . 1 38 38 GLN CB C 13 29.402 0.000 . 1 . . . . . 38 Q CB . 52141 1
317 . 1 . 1 38 38 GLN N N 15 120.279 0.025 . 1 . . . . . 38 Q N . 52141 1
318 . 1 . 1 39 39 ARG C C 13 175.473 0.000 . 1 . . . . . 39 R C . 52141 1
319 . 1 . 1 39 39 ARG CA C 13 55.462 0.000 . 1 . . . . . 39 R CA . 52141 1
320 . 1 . 1 39 39 ARG CB C 13 26.738 0.000 . 1 . . . . . 39 R CB . 52141 1
321 . 1 . 1 40 40 ASP H H 1 8.187 0.001 . 1 . . . . . 40 D H . 52141 1
322 . 1 . 1 40 40 ASP HA H 1 4.139 0.002 . 1 . . . . . 40 D HA . 52141 1
323 . 1 . 1 40 40 ASP HB2 H 1 2.362 0.001 . 1 . . . . . 40 D HB2 . 52141 1
324 . 1 . 1 40 40 ASP HB3 H 1 2.445 0.000 . 1 . . . . . 40 D HB3 . 52141 1
325 . 1 . 1 40 40 ASP C C 13 175.784 0.000 . 1 . . . . . 40 D C . 52141 1
326 . 1 . 1 40 40 ASP CA C 13 53.907 0.000 . 1 . . . . . 40 D CA . 52141 1
327 . 1 . 1 40 40 ASP CB C 13 36.870 0.000 . 1 . . . . . 40 D CB . 52141 1
328 . 1 . 1 40 40 ASP N N 15 120.146 0.002 . 1 . . . . . 40 D N . 52141 1
329 . 1 . 1 41 41 SER H H 1 7.777 0.001 . 1 . . . . . 41 S H . 52141 1
330 . 1 . 1 41 41 SER HA H 1 4.002 0.000 . 1 . . . . . 41 S HA . 52141 1
331 . 1 . 1 41 41 SER HB2 H 1 3.692 0.004 . 2 . . . . . 41 S QB . 52141 1
332 . 1 . 1 41 41 SER HB3 H 1 3.692 0.004 . 2 . . . . . 41 S QB . 52141 1
333 . 1 . 1 41 41 SER C C 13 177.184 0.000 . 1 . . . . . 41 S C . 52141 1
334 . 1 . 1 41 41 SER CA C 13 57.966 0.000 . 1 . . . . . 41 S CA . 52141 1
335 . 1 . 1 41 41 SER CB C 13 59.989 0.000 . 1 . . . . . 41 S CB . 52141 1
336 . 1 . 1 41 41 SER N N 15 116.769 0.160 . 1 . . . . . 41 S N . 52141 1
337 . 1 . 1 42 42 GLU H H 1 7.772 0.002 . 1 . . . . . 42 E H . 52141 1
338 . 1 . 1 42 42 GLU HA H 1 3.806 0.000 . 1 . . . . . 42 E HA . 52141 1
339 . 1 . 1 42 42 GLU C C 13 172.611 0.000 . 1 . . . . . 42 E C . 52141 1
340 . 1 . 1 42 42 GLU CA C 13 51.495 0.000 . 1 . . . . . 42 E CA . 52141 1
341 . 1 . 1 42 42 GLU CB C 13 26.384 0.000 . 1 . . . . . 42 E CB . 52141 1
342 . 1 . 1 42 42 GLU N N 15 123.320 0.004 . 1 . . . . . 42 E N . 52141 1
343 . 1 . 1 43 43 ILE H H 1 7.765 0.002 . 1 . . . . . 43 I H . 52141 1
344 . 1 . 1 43 43 ILE HA H 1 3.658 0.169 . 1 . . . . . 43 I HA . 52141 1
345 . 1 . 1 43 43 ILE HG12 H 1 1.621 0.001 . 2 . . . . . 43 I QG1 . 52141 1
346 . 1 . 1 43 43 ILE HG13 H 1 1.621 0.001 . 2 . . . . . 43 I QG1 . 52141 1
347 . 1 . 1 43 43 ILE HD11 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1
348 . 1 . 1 43 43 ILE HD12 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1
349 . 1 . 1 43 43 ILE HD13 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1
350 . 1 . 1 43 43 ILE C C 13 175.446 0.000 . 1 . . . . . 43 I C . 52141 1
351 . 1 . 1 43 43 ILE CA C 13 61.064 0.000 . 1 . . . . . 43 I CA . 52141 1
352 . 1 . 1 43 43 ILE CB C 13 35.524 0.000 . 1 . . . . . 43 I CB . 52141 1
353 . 1 . 1 43 43 ILE N N 15 121.362 0.003 . 1 . . . . . 43 I N . 52141 1
354 . 1 . 1 44 44 MET H H 1 7.683 0.006 . 1 . . . . . 44 M H . 52141 1
355 . 1 . 1 44 44 MET HA H 1 3.982 0.002 . 1 . . . . . 44 M HA . 52141 1
356 . 1 . 1 44 44 MET HB2 H 1 1.851 0.009 . 2 . . . . . 44 M QB . 52141 1
357 . 1 . 1 44 44 MET HB3 H 1 1.851 0.009 . 2 . . . . . 44 M QB . 52141 1
358 . 1 . 1 44 44 MET HG2 H 1 2.273 0.001 . 1 . . . . . 44 M HG2 . 52141 1
359 . 1 . 1 44 44 MET HG3 H 1 2.353 0.004 . 1 . . . . . 44 M HG3 . 52141 1
360 . 1 . 1 44 44 MET C C 13 175.269 0.000 . 1 . . . . . 44 M C . 52141 1
361 . 1 . 1 44 44 MET CA C 13 54.610 0.000 . 1 . . . . . 44 M CA . 52141 1
362 . 1 . 1 44 44 MET CB C 13 28.923 0.000 . 1 . . . . . 44 M CB . 52141 1
363 . 1 . 1 44 44 MET N N 15 120.928 0.028 . 1 . . . . . 44 M N . 52141 1
364 . 1 . 1 45 45 GLN H H 1 7.917 0.006 . 1 . . . . . 45 Q H . 52141 1
365 . 1 . 1 45 45 GLN HA H 1 3.835 0.000 . 1 . . . . . 45 Q HA . 52141 1
366 . 1 . 1 45 45 GLN C C 13 174.847 0.000 . 1 . . . . . 45 Q C . 52141 1
367 . 1 . 1 45 45 GLN CA C 13 54.859 0.000 . 1 . . . . . 45 Q CA . 52141 1
368 . 1 . 1 45 45 GLN CB C 13 25.804 0.000 . 1 . . . . . 45 Q CB . 52141 1
369 . 1 . 1 45 45 GLN N N 15 119.958 0.000 . 1 . . . . . 45 Q N . 52141 1
370 . 1 . 1 46 46 GLN H H 1 7.840 0.004 . 1 . . . . . 46 Q H . 52141 1
371 . 1 . 1 46 46 GLN HA H 1 3.971 0.000 . 1 . . . . . 46 Q HA . 52141 1
372 . 1 . 1 46 46 GLN C C 13 173.755 0.000 . 1 . . . . . 46 Q C . 52141 1
373 . 1 . 1 46 46 GLN CA C 13 53.279 0.000 . 1 . . . . . 46 Q CA . 52141 1
374 . 1 . 1 46 46 GLN CB C 13 30.158 0.000 . 1 . . . . . 46 Q CB . 52141 1
375 . 1 . 1 46 46 GLN N N 15 121.545 0.027 . 1 . . . . . 46 Q N . 52141 1
376 . 1 . 1 47 47 LYS H H 1 8.184 0.004 . 1 . . . . . 47 K H . 52141 1
377 . 1 . 1 47 47 LYS HA H 1 3.971 0.000 . 1 . . . . . 47 K HA . 52141 1
378 . 1 . 1 47 47 LYS HB2 H 1 1.498 0.000 . 2 . . . . . 47 K QB . 52141 1
379 . 1 . 1 47 47 LYS HB3 H 1 1.498 0.000 . 2 . . . . . 47 K QB . 52141 1
380 . 1 . 1 47 47 LYS HD2 H 1 1.446 0.000 . 2 . . . . . 47 K QD . 52141 1
381 . 1 . 1 47 47 LYS HD3 H 1 1.446 0.000 . 2 . . . . . 47 K QD . 52141 1
382 . 1 . 1 47 47 LYS HE2 H 1 2.872 0.000 . 2 . . . . . 47 K QE . 52141 1
383 . 1 . 1 47 47 LYS HE3 H 1 2.872 0.000 . 2 . . . . . 47 K QE . 52141 1
384 . 1 . 1 47 47 LYS HZ1 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1
385 . 1 . 1 47 47 LYS HZ2 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1
386 . 1 . 1 47 47 LYS HZ3 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1
387 . 1 . 1 47 47 LYS CA C 13 53.251 0.000 . 1 . . . . . 47 K CA . 52141 1
388 . 1 . 1 47 47 LYS CB C 13 27.787 0.000 . 1 . . . . . 47 K CB . 52141 1
389 . 1 . 1 47 47 LYS N N 15 123.848 0.029 . 1 . . . . . 47 K N . 52141 1
390 . 1 . 1 50 50 LYS C C 13 174.479 0.000 . 1 . . . . . 50 K C . 52141 1
391 . 1 . 1 50 50 LYS CA C 13 53.949 0.000 . 1 . . . . . 50 K CA . 52141 1
392 . 1 . 1 50 50 LYS CB C 13 29.617 0.000 . 1 . . . . . 50 K CB . 52141 1
393 . 1 . 1 51 51 ALA H H 1 7.918 0.002 . 1 . . . . . 51 A H . 52141 1
394 . 1 . 1 51 51 ALA HA H 1 3.889 0.001 . 1 . . . . . 51 A HA . 52141 1
395 . 1 . 1 51 51 ALA HB1 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1
396 . 1 . 1 51 51 ALA HB2 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1
397 . 1 . 1 51 51 ALA HB3 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1
398 . 1 . 1 51 51 ALA C C 13 175.324 0.000 . 1 . . . . . 51 A C . 52141 1
399 . 1 . 1 51 51 ALA CA C 13 50.431 0.000 . 1 . . . . . 51 A CA . 52141 1
400 . 1 . 1 51 51 ALA CB C 13 15.771 0.000 . 1 . . . . . 51 A CB . 52141 1
401 . 1 . 1 51 51 ALA N N 15 124.372 0.008 . 1 . . . . . 51 A N . 52141 1
402 . 1 . 1 52 52 ASN H H 1 7.952 0.004 . 1 . . . . . 52 N H . 52141 1
403 . 1 . 1 52 52 ASN HA H 1 4.357 0.033 . 1 . . . . . 52 N HA . 52141 1
404 . 1 . 1 52 52 ASN HB2 H 1 2.462 0.000 . 1 . . . . . 52 N HB1 . 52141 1
405 . 1 . 1 52 52 ASN HB3 H 1 2.535 0.000 . 1 . . . . . 52 N HB2 . 52141 1
406 . 1 . 1 52 52 ASN C C 13 172.921 0.000 . 1 . . . . . 52 N C . 52141 1
407 . 1 . 1 52 52 ASN CA C 13 50.392 0.000 . 1 . . . . . 52 N CA . 52141 1
408 . 1 . 1 52 52 ASN CB C 13 35.655 0.000 . 1 . . . . . 52 N CB . 52141 1
409 . 1 . 1 52 52 ASN N N 15 117.219 0.030 . 1 . . . . . 52 N N . 52141 1
410 . 1 . 1 53 53 GLU H H 1 8.248 0.001 . 1 . . . . . 53 E H . 52141 1
411 . 1 . 1 53 53 GLU HA H 1 3.819 0.000 . 1 . . . . . 53 E HA . 52141 1
412 . 1 . 1 53 53 GLU HB2 H 1 1.737 0.011 . 1 . . . . . 53 E HB2 . 52141 1
413 . 1 . 1 53 53 GLU HB3 H 1 1.812 0.001 . 1 . . . . . 53 E HB3 . 52141 1
414 . 1 . 1 53 53 GLU HG2 H 1 2.084 0.003 . 2 . . . . . 53 E QG . 52141 1
415 . 1 . 1 53 53 GLU HG3 H 1 2.084 0.003 . 2 . . . . . 53 E QG . 52141 1
416 . 1 . 1 53 53 GLU C C 13 174.343 0.000 . 1 . . . . . 53 E C . 52141 1
417 . 1 . 1 53 53 GLU CA C 13 54.628 0.000 . 1 . . . . . 53 E CA . 52141 1
418 . 1 . 1 53 53 GLU CB C 13 25.773 0.000 . 1 . . . . . 53 E CB . 52141 1
419 . 1 . 1 53 53 GLU N N 15 121.394 0.018 . 1 . . . . . 53 E N . 52141 1
420 . 1 . 1 54 54 LYS H H 1 8.097 0.001 . 1 . . . . . 54 K H . 52141 1
421 . 1 . 1 54 54 LYS HA H 1 3.825 0.000 . 1 . . . . . 54 K HA . 52141 1
422 . 1 . 1 54 54 LYS HB2 H 1 1.323 0.048 . 1 . . . . . 54 K HB2 . 52141 1
423 . 1 . 1 54 54 LYS HD2 H 1 2.197 0.678 . 2 . . . . . 54 K QD . 52141 1
424 . 1 . 1 54 54 LYS HD3 H 1 2.197 0.678 . 2 . . . . . 54 K QD . 52141 1
425 . 1 . 1 54 54 LYS C C 13 174.315 0.000 . 1 . . . . . 54 K C . 52141 1
426 . 1 . 1 54 54 LYS CA C 13 54.769 0.000 . 1 . . . . . 54 K CA . 52141 1
427 . 1 . 1 54 54 LYS CB C 13 27.214 0.000 . 1 . . . . . 54 K CB . 52141 1
428 . 1 . 1 54 54 LYS N N 15 121.727 0.008 . 1 . . . . . 54 K N . 52141 1
429 . 1 . 1 55 55 LYS H H 1 7.941 0.002 . 1 . . . . . 55 K H . 52141 1
430 . 1 . 1 55 55 LYS HA H 1 3.910 0.001 . 1 . . . . . 55 K HA . 52141 1
431 . 1 . 1 55 55 LYS HB2 H 1 1.437 0.000 . 1 . . . . . 55 K HB2 . 52141 1
432 . 1 . 1 55 55 LYS HB3 H 1 1.490 0.000 . 1 . . . . . 55 K HB3 . 52141 1
433 . 1 . 1 55 55 LYS HD2 H 1 1.445 0.000 . 2 . . . . . 55 K QD . 52141 1
434 . 1 . 1 55 55 LYS HD3 H 1 1.445 0.000 . 2 . . . . . 55 K QD . 52141 1
435 . 1 . 1 55 55 LYS HE2 H 1 2.647 0.000 . 2 . . . . . 55 K QE . 52141 1
436 . 1 . 1 55 55 LYS HE3 H 1 2.647 0.000 . 2 . . . . . 55 K QE . 52141 1
437 . 1 . 1 55 55 LYS C C 13 173.480 0.000 . 1 . . . . . 55 K C . 52141 1
438 . 1 . 1 55 55 LYS N N 15 122.066 0.002 . 1 . . . . . 55 K N . 52141 1
439 . 1 . 1 56 56 GLU H H 1 8.207 0.004 . 1 . . . . . 56 E H . 52141 1
440 . 1 . 1 56 56 GLU HA H 1 3.971 0.001 . 1 . . . . . 56 E HA . 52141 1
441 . 1 . 1 56 56 GLU HB2 H 1 1.561 0.000 . 1 . . . . . 56 E HB2 . 52141 1
442 . 1 . 1 56 56 GLU HB3 H 1 1.678 0.001 . 1 . . . . . 56 E HB3 . 52141 1
443 . 1 . 1 56 56 GLU HG2 H 1 1.921 0.003 . 2 . . . . . 56 E QG . 52141 1
444 . 1 . 1 56 56 GLU HG3 H 1 1.921 0.003 . 2 . . . . . 56 E QG . 52141 1
445 . 1 . 1 56 56 GLU C C 13 173.213 0.000 . 1 . . . . . 56 E C . 52141 1
446 . 1 . 1 56 56 GLU CA C 13 53.014 0.000 . 1 . . . . . 56 E CA . 52141 1
447 . 1 . 1 56 56 GLU CB C 13 27.270 0.000 . 1 . . . . . 56 E CB . 52141 1
448 . 1 . 1 56 56 GLU N N 15 123.359 0.007 . 1 . . . . . 56 E N . 52141 1
449 . 1 . 1 57 57 GLU H H 1 8.252 0.003 . 1 . . . . . 57 E H . 52141 1
450 . 1 . 1 57 57 GLU HA H 1 4.232 0.006 . 1 . . . . . 57 E HA . 52141 1
451 . 1 . 1 57 57 GLU HB2 H 1 1.532 0.000 . 1 . . . . . 57 E HB2 . 52141 1
452 . 1 . 1 57 57 GLU HB3 H 1 1.700 0.000 . 1 . . . . . 57 E HB3 . 52141 1
453 . 1 . 1 57 57 GLU HG2 H 1 1.953 0.000 . 1 . . . . . 57 E HG2 . 52141 1
454 . 1 . 1 57 57 GLU HG3 H 1 2.018 0.000 . 1 . . . . . 57 E HG3 . 52141 1
455 . 1 . 1 57 57 GLU CA C 13 51.353 0.000 . 1 . . . . . 57 E CA . 52141 1
456 . 1 . 1 57 57 GLU CB C 13 26.514 0.000 . 1 . . . . . 57 E CB . 52141 1
457 . 1 . 1 57 57 GLU N N 15 124.904 0.028 . 1 . . . . . 57 E N . 52141 1
458 . 1 . 1 58 58 PRO HA H 1 4.082 0.000 . 1 . . . . . 58 P HA . 52141 1
459 . 1 . 1 58 58 PRO HB2 H 1 1.617 0.000 . 2 . . . . . 58 P QB . 52141 1
460 . 1 . 1 58 58 PRO HB3 H 1 1.617 0.000 . 2 . . . . . 58 P QB . 52141 1
461 . 1 . 1 58 58 PRO HG2 H 1 1.969 0.000 . 2 . . . . . 58 P QG . 52141 1
462 . 1 . 1 58 58 PRO HG3 H 1 1.969 0.000 . 2 . . . . . 58 P QG . 52141 1
463 . 1 . 1 58 58 PRO HD2 H 1 3.382 0.005 . 1 . . . . . 58 P HD2 . 52141 1
464 . 1 . 1 58 58 PRO HD3 H 1 3.497 0.001 . 1 . . . . . 58 P HD3 . 52141 1
465 . 1 . 1 58 58 PRO C C 13 173.151 0.000 . 1 . . . . . 58 P C . 52141 1
466 . 1 . 1 58 58 PRO CA C 13 60.399 0.000 . 1 . . . . . 58 P CA . 52141 1
467 . 1 . 1 58 58 PRO CB C 13 28.948 0.000 . 1 . . . . . 58 P CB . 52141 1
468 . 1 . 1 59 59 LYS H H 1 7.831 0.000 . 1 . . . . . 59 K H . 52141 1
469 . 1 . 1 59 59 LYS HA H 1 3.822 0.000 . 1 . . . . . 59 K HA . 52141 1
470 . 1 . 1 59 59 LYS HB2 H 1 1.376 0.000 . 1 . . . . . 59 K HB2 . 52141 1
471 . 1 . 1 59 59 LYS HB3 H 1 1.508 0.000 . 1 . . . . . 59 K HB3 . 52141 1
472 . 1 . 1 59 59 LYS HG2 H 1 1.106 0.002 . 2 . . . . . 59 K QG . 52141 1
473 . 1 . 1 59 59 LYS HG3 H 1 1.106 0.002 . 2 . . . . . 59 K QG . 52141 1
474 . 1 . 1 59 59 LYS HD2 H 1 1.374 0.005 . 2 . . . . . 59 K QD . 52141 1
475 . 1 . 1 59 59 LYS HD3 H 1 1.374 0.005 . 2 . . . . . 59 K QD . 52141 1
476 . 1 . 1 59 59 LYS CA C 13 54.622 0.000 . 1 . . . . . 59 K CA . 52141 1
477 . 1 . 1 59 59 LYS CB C 13 30.553 0.000 . 1 . . . . . 59 K CB . 52141 1
478 . 1 . 1 59 59 LYS N N 15 127.730 0.001 . 1 . . . . . 59 K N . 52141 1
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