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 51833
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_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
3 '3D HNCACB' . . . 51833 1
4 '3D HNHAHB' . . . 51833 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 . . 51833 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 HIS HA H 1 3.302 0.000 . . . . . . . 138 H HA . 51833 1
2 . 1 . 1 1 1 HIS HB2 H 1 3.302 0.000 . . . . . . . 138 H HB2 . 51833 1
3 . 1 . 1 1 1 HIS CA C 13 59.784 0.000 . . . . . . . 138 H CA . 51833 1
4 . 1 . 1 1 1 HIS CB C 13 30.101 0.000 . . . . . . . 138 H CB . 51833 1
5 . 1 . 1 2 2 MET H H 1 8.469 0.000 . . . . . . . 139 M H . 51833 1
6 . 1 . 1 2 2 MET HA H 1 4.227 0.000 . . . . . . . 139 M HA . 51833 1
7 . 1 . 1 2 2 MET HB2 H 1 1.938 0.000 . . . . . . . 139 M HB2 . 51833 1
8 . 1 . 1 2 2 MET CA C 13 57.815 0.000 . . . . . . . 139 M CA . 51833 1
9 . 1 . 1 2 2 MET CB C 13 31.861 0.000 . . . . . . . 139 M CB . 51833 1
10 . 1 . 1 2 2 MET N N 15 118.493 0.000 . . . . . . . 139 M N . 51833 1
11 . 1 . 1 3 3 GLU H H 1 7.978 0.000 . . . . . . . 140 E H . 51833 1
12 . 1 . 1 3 3 GLU HA H 1 3.529 0.000 . . . . . . . 140 E HA . 51833 1
13 . 1 . 1 3 3 GLU HB2 H 1 1.952 0.000 . . . . . . . 140 E HB2 . 51833 1
14 . 1 . 1 3 3 GLU HB3 H 1 2.424 0.000 . . . . . . . 140 E HB3 . 51833 1
15 . 1 . 1 3 3 GLU CA C 13 60.604 0.000 . . . . . . . 140 E CA . 51833 1
16 . 1 . 1 3 3 GLU CB C 13 30.500 0.000 . . . . . . . 140 E CB . 51833 1
17 . 1 . 1 3 3 GLU N N 15 118.444 0.000 . . . . . . . 140 E N . 51833 1
18 . 1 . 1 4 4 GLN H H 1 8.011 0.000 . . . . . . . 141 Q H . 51833 1
19 . 1 . 1 4 4 GLN HA H 1 3.978 0.000 . . . . . . . 141 Q HA . 51833 1
20 . 1 . 1 4 4 GLN HB2 H 1 2.158 0.000 . . . . . . . 141 Q HB2 . 51833 1
21 . 1 . 1 4 4 GLN HG2 H 1 2.509 0.000 . . . . . . . 141 Q HG2 . 51833 1
22 . 1 . 1 4 4 GLN HG3 H 1 2.338 0.000 . . . . . . . 141 Q HG3 . 51833 1
23 . 1 . 1 4 4 GLN HE21 H 1 7.178 0.000 . . . . . . . 141 Q HE21 . 51833 1
24 . 1 . 1 4 4 GLN HE22 H 1 6.860 0.000 . . . . . . . 141 Q HE22 . 51833 1
25 . 1 . 1 4 4 GLN CA C 13 59.482 0.000 . . . . . . . 141 Q CA . 51833 1
26 . 1 . 1 4 4 GLN CB C 13 28.880 0.000 . . . . . . . 141 Q CB . 51833 1
27 . 1 . 1 4 4 GLN CG C 13 34.606 0.000 . . . . . . . 141 Q CG . 51833 1
28 . 1 . 1 4 4 GLN N N 15 115.524 0.000 . . . . . . . 141 Q N . 51833 1
29 . 1 . 1 4 4 GLN NE2 N 15 111.778 0.000 . . . . . . . 141 Q NE2 . 51833 1
30 . 1 . 1 5 5 ARG H H 1 8.079 0.000 . . . . . . . 142 R H . 51833 1
31 . 1 . 1 5 5 ARG HA H 1 4.005 0.000 . . . . . . . 142 R HA . 51833 1
32 . 1 . 1 5 5 ARG HB2 H 1 1.867 0.000 . . . . . . . 142 R HB2 . 51833 1
33 . 1 . 1 5 5 ARG HG2 H 1 1.584 0.000 . . . . . . . 142 R HG2 . 51833 1
34 . 1 . 1 5 5 ARG HG3 H 1 0.798 0.000 . . . . . . . 142 R HG3 . 51833 1
35 . 1 . 1 5 5 ARG CA C 13 59.893 0.000 . . . . . . . 142 R CA . 51833 1
36 . 1 . 1 5 5 ARG CB C 13 31.009 0.000 . . . . . . . 142 R CB . 51833 1
37 . 1 . 1 5 5 ARG CG C 13 27.340 0.000 . . . . . . . 142 R CG . 51833 1
38 . 1 . 1 5 5 ARG N N 15 119.104 0.000 . . . . . . . 142 R N . 51833 1
39 . 1 . 1 6 6 ILE H H 1 8.037 0.000 . . . . . . . 143 I H . 51833 1
40 . 1 . 1 6 6 ILE HA H 1 3.481 0.000 . . . . . . . 143 I HA . 51833 1
41 . 1 . 1 6 6 ILE HB H 1 1.813 0.000 . . . . . . . 143 I HB . 51833 1
42 . 1 . 1 6 6 ILE HG12 H 1 0.769 0.000 . . . . . . . 143 I HG12 . 51833 1
43 . 1 . 1 6 6 ILE HG13 H 1 1.710 0.000 . . . . . . . 143 I HG13 . 51833 1
44 . 1 . 1 6 6 ILE HD11 H 1 0.629 0.000 . . . . . . . 143 I QD1 . 51833 1
45 . 1 . 1 6 6 ILE HD12 H 1 0.629 0.000 . . . . . . . 143 I QD1 . 51833 1
46 . 1 . 1 6 6 ILE HD13 H 1 0.629 0.000 . . . . . . . 143 I QD1 . 51833 1
47 . 1 . 1 6 6 ILE CA C 13 66.176 0.000 . . . . . . . 143 I CA . 51833 1
48 . 1 . 1 6 6 ILE CB C 13 37.897 0.000 . . . . . . . 143 I CB . 51833 1
49 . 1 . 1 6 6 ILE CG1 C 13 30.475 0.000 . . . . . . . 143 I CG1 . 51833 1
50 . 1 . 1 6 6 ILE CD1 C 13 17.650 0.000 . . . . . . . 143 I CD1 . 51833 1
51 . 1 . 1 6 6 ILE N N 15 119.982 0.000 . . . . . . . 143 I N . 51833 1
52 . 1 . 1 7 7 LEU H H 1 8.110 0.000 . . . . . . . 144 L H . 51833 1
53 . 1 . 1 7 7 LEU HA H 1 3.961 0.000 . . . . . . . 144 L HA . 51833 1
54 . 1 . 1 7 7 LEU HB2 H 1 1.784 0.000 . . . . . . . 144 L HB2 . 51833 1
55 . 1 . 1 7 7 LEU HB3 H 1 1.650 0.000 . . . . . . . 144 L HB3 . 51833 1
56 . 1 . 1 7 7 LEU HD11 H 1 0.892 0.000 . . . . . . . 144 L QD1 . 51833 1
57 . 1 . 1 7 7 LEU HD12 H 1 0.892 0.000 . . . . . . . 144 L QD1 . 51833 1
58 . 1 . 1 7 7 LEU HD13 H 1 0.892 0.000 . . . . . . . 144 L QD1 . 51833 1
59 . 1 . 1 7 7 LEU CA C 13 58.845 0.000 . . . . . . . 144 L CA . 51833 1
60 . 1 . 1 7 7 LEU CB C 13 41.433 0.000 . . . . . . . 144 L CB . 51833 1
61 . 1 . 1 7 7 LEU CD1 C 13 23.903 0.000 . . . . . . . 144 L CD1 . 51833 1
62 . 1 . 1 7 7 LEU N N 15 119.094 0.000 . . . . . . . 144 L N . 51833 1
63 . 1 . 1 8 8 LYS H H 1 8.144 0.000 . . . . . . . 145 K H . 51833 1
64 . 1 . 1 8 8 LYS HA H 1 4.077 0.000 . . . . . . . 145 K HA . 51833 1
65 . 1 . 1 8 8 LYS HB2 H 1 1.927 0.000 . . . . . . . 145 K HB2 . 51833 1
66 . 1 . 1 8 8 LYS HB3 H 1 2.310 0.000 . . . . . . . 145 K HB3 . 51833 1
67 . 1 . 1 8 8 LYS CA C 13 59.169 0.000 . . . . . . . 145 K CA . 51833 1
68 . 1 . 1 8 8 LYS CB C 13 32.366 0.000 . . . . . . . 145 K CB . 51833 1
69 . 1 . 1 8 8 LYS N N 15 118.117 0.000 . . . . . . . 145 K N . 51833 1
70 . 1 . 1 9 9 PHE H H 1 7.720 0.000 . . . . . . . 146 F H . 51833 1
71 . 1 . 1 9 9 PHE HA H 1 4.131 0.000 . . . . . . . 146 F HA . 51833 1
72 . 1 . 1 9 9 PHE HB2 H 1 3.211 0.000 . . . . . . . 146 F HB2 . 51833 1
73 . 1 . 1 9 9 PHE HB3 H 1 3.148 0.000 . . . . . . . 146 F HB3 . 51833 1
74 . 1 . 1 9 9 PHE CA C 13 60.550 0.000 . . . . . . . 146 F CA . 51833 1
75 . 1 . 1 9 9 PHE CB C 13 39.453 0.000 . . . . . . . 146 F CB . 51833 1
76 . 1 . 1 9 9 PHE N N 15 118.700 0.000 . . . . . . . 146 F N . 51833 1
77 . 1 . 1 10 10 LEU H H 1 8.302 0.000 . . . . . . . 147 L H . 51833 1
78 . 1 . 1 10 10 LEU HA H 1 4.061 0.000 . . . . . . . 147 L HA . 51833 1
79 . 1 . 1 10 10 LEU HB2 H 1 1.996 0.000 . . . . . . . 147 L HB2 . 51833 1
80 . 1 . 1 10 10 LEU HB3 H 1 1.511 0.000 . . . . . . . 147 L HB3 . 51833 1
81 . 1 . 1 10 10 LEU CA C 13 58.259 0.000 . . . . . . . 147 L CA . 51833 1
82 . 1 . 1 10 10 LEU CB C 13 42.059 0.000 . . . . . . . 147 L CB . 51833 1
83 . 1 . 1 10 10 LEU N N 15 118.373 0.000 . . . . . . . 147 L N . 51833 1
84 . 1 . 1 11 11 GLU H H 1 8.689 0.000 . . . . . . . 148 E H . 51833 1
85 . 1 . 1 11 11 GLU HA H 1 3.931 0.000 . . . . . . . 148 E HA . 51833 1
86 . 1 . 1 11 11 GLU HB2 H 1 2.249 0.000 . . . . . . . 148 E HB2 . 51833 1
87 . 1 . 1 11 11 GLU HB3 H 1 2.107 0.000 . . . . . . . 148 E HB3 . 51833 1
88 . 1 . 1 11 11 GLU HG2 H 1 2.250 0.000 . . . . . . . 148 E HG2 . 51833 1
89 . 1 . 1 11 11 GLU HG3 H 1 2.261 0.000 . . . . . . . 148 E HG3 . 51833 1
90 . 1 . 1 11 11 GLU CA C 13 60.035 0.000 . . . . . . . 148 E CA . 51833 1
91 . 1 . 1 11 11 GLU CB C 13 29.958 0.000 . . . . . . . 148 E CB . 51833 1
92 . 1 . 1 11 11 GLU CG C 13 36.402 0.000 . . . . . . . 148 E CG . 51833 1
93 . 1 . 1 11 11 GLU N N 15 121.972 0.000 . . . . . . . 148 E N . 51833 1
94 . 1 . 1 12 12 GLU H H 1 7.778 0.000 . . . . . . . 149 E H . 51833 1
95 . 1 . 1 12 12 GLU HA H 1 4.013 0.000 . . . . . . . 149 E HA . 51833 1
96 . 1 . 1 12 12 GLU HB2 H 1 2.006 0.000 . . . . . . . 149 E HB2 . 51833 1
97 . 1 . 1 12 12 GLU HG2 H 1 2.198 0.000 . . . . . . . 149 E HG2 . 51833 1
98 . 1 . 1 12 12 GLU HG3 H 1 2.503 0.000 . . . . . . . 149 E HG3 . 51833 1
99 . 1 . 1 12 12 GLU CA C 13 58.317 0.000 . . . . . . . 149 E CA . 51833 1
100 . 1 . 1 12 12 GLU CB C 13 29.758 0.000 . . . . . . . 149 E CB . 51833 1
101 . 1 . 1 12 12 GLU CG C 13 37.056 0.000 . . . . . . . 149 E CG . 51833 1
102 . 1 . 1 12 12 GLU N N 15 117.781 0.000 . . . . . . . 149 E N . 51833 1
103 . 1 . 1 13 13 LEU H H 1 7.398 0.000 . . . . . . . 150 L H . 51833 1
104 . 1 . 1 13 13 LEU HA H 1 4.002 0.000 . . . . . . . 150 L HA . 51833 1
105 . 1 . 1 13 13 LEU HB2 H 1 1.713 0.000 . . . . . . . 150 L HB2 . 51833 1
106 . 1 . 1 13 13 LEU HB3 H 1 1.755 0.000 . . . . . . . 150 L HB3 . 51833 1
107 . 1 . 1 13 13 LEU CA C 13 57.194 0.000 . . . . . . . 150 L CA . 51833 1
108 . 1 . 1 13 13 LEU CB C 13 43.077 0.000 . . . . . . . 150 L CB . 51833 1
109 . 1 . 1 13 13 LEU N N 15 119.626 0.000 . . . . . . . 150 L N . 51833 1
110 . 1 . 1 14 14 GLY H H 1 7.204 0.000 . . . . . . . 151 G H . 51833 1
111 . 1 . 1 14 14 GLY HA2 H 1 4.404 0.000 . . . . . . . 151 G HA2 . 51833 1
112 . 1 . 1 14 14 GLY HA3 H 1 3.768 0.000 . . . . . . . 151 G HA3 . 51833 1
113 . 1 . 1 14 14 GLY CA C 13 44.038 0.000 . . . . . . . 151 G CA . 51833 1
114 . 1 . 1 14 14 GLY N N 15 103.478 0.000 . . . . . . . 151 G N . 51833 1
115 . 1 . 1 15 15 GLU H H 1 8.530 0.000 . . . . . . . 152 E H . 51833 1
116 . 1 . 1 15 15 GLU HA H 1 4.040 0.000 . . . . . . . 152 E HA . 51833 1
117 . 1 . 1 15 15 GLU HB2 H 1 2.012 0.000 . . . . . . . 152 E HB2 . 51833 1
118 . 1 . 1 15 15 GLU HB3 H 1 2.040 0.000 . . . . . . . 152 E HB3 . 51833 1
119 . 1 . 1 15 15 GLU CA C 13 58.472 0.000 . . . . . . . 152 E CA . 51833 1
120 . 1 . 1 15 15 GLU CB C 13 29.959 0.000 . . . . . . . 152 E CB . 51833 1
121 . 1 . 1 15 15 GLU N N 15 121.335 0.000 . . . . . . . 152 E N . 51833 1
122 . 1 . 1 16 16 GLY H H 1 9.009 0.000 . . . . . . . 153 G H . 51833 1
123 . 1 . 1 16 16 GLY HA2 H 1 3.975 0.000 . . . . . . . 153 G HA2 . 51833 1
124 . 1 . 1 16 16 GLY CA C 13 46.041 0.000 . . . . . . . 153 G CA . 51833 1
125 . 1 . 1 16 16 GLY N N 15 112.194 0.000 . . . . . . . 153 G N . 51833 1
126 . 1 . 1 17 17 LYS H H 1 7.230 0.000 . . . . . . . 154 K H . 51833 1
127 . 1 . 1 17 17 LYS HA H 1 4.486 0.000 . . . . . . . 154 K HA . 51833 1
128 . 1 . 1 17 17 LYS HB2 H 1 1.774 0.000 . . . . . . . 154 K HB2 . 51833 1
129 . 1 . 1 17 17 LYS CA C 13 55.527 0.000 . . . . . . . 154 K CA . 51833 1
130 . 1 . 1 17 17 LYS CB C 13 34.164 0.000 . . . . . . . 154 K CB . 51833 1
131 . 1 . 1 17 17 LYS N N 15 119.303 0.000 . . . . . . . 154 K N . 51833 1
132 . 1 . 1 18 18 ALA H H 1 8.141 0.000 . . . . . . . 155 A H . 51833 1
133 . 1 . 1 18 18 ALA HA H 1 5.152 0.000 . . . . . . . 155 A HA . 51833 1
134 . 1 . 1 18 18 ALA HB1 H 1 1.330 0.000 . . . . . . . 155 A HB# . 51833 1
135 . 1 . 1 18 18 ALA HB2 H 1 1.330 0.000 . . . . . . . 155 A HB# . 51833 1
136 . 1 . 1 18 18 ALA HB3 H 1 1.330 0.000 . . . . . . . 155 A HB# . 51833 1
137 . 1 . 1 18 18 ALA CA C 13 50.528 0.000 . . . . . . . 155 A CA . 51833 1
138 . 1 . 1 18 18 ALA CB C 13 24.664 0.000 . . . . . . . 155 A CB . 51833 1
139 . 1 . 1 18 18 ALA N N 15 121.660 0.000 . . . . . . . 155 A N . 51833 1
140 . 1 . 1 19 19 THR H H 1 8.764 0.000 . . . . . . . 156 T H . 51833 1
141 . 1 . 1 19 19 THR HA H 1 5.044 0.000 . . . . . . . 156 T HA . 51833 1
142 . 1 . 1 19 19 THR HB H 1 4.031 0.000 . . . . . . . 156 T HB . 51833 1
143 . 1 . 1 19 19 THR CA C 13 60.170 0.000 . . . . . . . 156 T CA . 51833 1
144 . 1 . 1 19 19 THR CB C 13 70.635 0.000 . . . . . . . 156 T CB . 51833 1
145 . 1 . 1 19 19 THR N N 15 112.797 0.000 . . . . . . . 156 T N . 51833 1
146 . 1 . 1 20 20 THR H H 1 8.462 0.000 . . . . . . . 157 T H . 51833 1
147 . 1 . 1 20 20 THR HA H 1 5.008 0.000 . . . . . . . 157 T HA . 51833 1
148 . 1 . 1 20 20 THR HB H 1 4.886 0.000 . . . . . . . 157 T HB . 51833 1
149 . 1 . 1 20 20 THR CA C 13 59.950 0.000 . . . . . . . 157 T CA . 51833 1
150 . 1 . 1 20 20 THR CB C 13 72.972 0.000 . . . . . . . 157 T CB . 51833 1
151 . 1 . 1 20 20 THR N N 15 110.744 0.000 . . . . . . . 157 T N . 51833 1
152 . 1 . 1 21 21 ALA H H 1 9.716 0.000 . . . . . . . 158 A H . 51833 1
153 . 1 . 1 21 21 ALA HA H 1 3.685 0.000 . . . . . . . 158 A HA . 51833 1
154 . 1 . 1 21 21 ALA HB1 H 1 1.955 0.000 . . . . . . . 158 A HB# . 51833 1
155 . 1 . 1 21 21 ALA HB2 H 1 1.955 0.000 . . . . . . . 158 A HB# . 51833 1
156 . 1 . 1 21 21 ALA HB3 H 1 1.955 0.000 . . . . . . . 158 A HB# . 51833 1
157 . 1 . 1 21 21 ALA CA C 13 55.791 0.000 . . . . . . . 158 A CA . 51833 1
158 . 1 . 1 21 21 ALA CB C 13 18.340 0.000 . . . . . . . 158 A CB . 51833 1
159 . 1 . 1 21 21 ALA N N 15 123.637 0.000 . . . . . . . 158 A N . 51833 1
160 . 1 . 1 22 22 HIS H H 1 8.859 0.000 . . . . . . . 159 H H . 51833 1
161 . 1 . 1 22 22 HIS HA H 1 4.039 0.000 . . . . . . . 159 H HA . 51833 1
162 . 1 . 1 22 22 HIS HB2 H 1 3.328 0.000 . . . . . . . 159 H HB2 . 51833 1
163 . 1 . 1 22 22 HIS CA C 13 60.674 0.000 . . . . . . . 159 H CA . 51833 1
164 . 1 . 1 22 22 HIS CB C 13 31.151 0.000 . . . . . . . 159 H CB . 51833 1
165 . 1 . 1 22 22 HIS N N 15 117.370 0.000 . . . . . . . 159 H N . 51833 1
166 . 1 . 1 23 23 ASP H H 1 8.141 0.000 . . . . . . . 160 D H . 51833 1
167 . 1 . 1 23 23 ASP HA H 1 4.283 0.000 . . . . . . . 160 D HA . 51833 1
168 . 1 . 1 23 23 ASP HB2 H 1 2.786 0.000 . . . . . . . 160 D HB2 . 51833 1
169 . 1 . 1 23 23 ASP HB3 H 1 2.868 0.000 . . . . . . . 160 D HB3 . 51833 1
170 . 1 . 1 23 23 ASP CA C 13 57.743 0.000 . . . . . . . 160 D CA . 51833 1
171 . 1 . 1 23 23 ASP CB C 13 41.081 0.000 . . . . . . . 160 D CB . 51833 1
172 . 1 . 1 23 23 ASP N N 15 121.561 0.000 . . . . . . . 160 D N . 51833 1
173 . 1 . 1 24 24 LEU H H 1 7.833 0.000 . . . . . . . 161 L H . 51833 1
174 . 1 . 1 24 24 LEU HA H 1 3.488 0.000 . . . . . . . 161 L HA . 51833 1
175 . 1 . 1 24 24 LEU HB2 H 1 1.104 0.000 . . . . . . . 161 L HB2 . 51833 1
176 . 1 . 1 24 24 LEU HB3 H 1 1.100 0.000 . . . . . . . 161 L HB3 . 51833 1
177 . 1 . 1 24 24 LEU HG H 1 1.866 0.000 . . . . . . . 161 L HG . 51833 1
178 . 1 . 1 24 24 LEU HD11 H 1 0.489 0.000 . . . . . . . 161 L QD1 . 51833 1
179 . 1 . 1 24 24 LEU HD12 H 1 0.489 0.000 . . . . . . . 161 L QD1 . 51833 1
180 . 1 . 1 24 24 LEU HD13 H 1 0.489 0.000 . . . . . . . 161 L QD1 . 51833 1
181 . 1 . 1 24 24 LEU HD21 H 1 0.569 0.000 . . . . . . . 161 L QD2 . 51833 1
182 . 1 . 1 24 24 LEU HD22 H 1 0.569 0.000 . . . . . . . 161 L QD2 . 51833 1
183 . 1 . 1 24 24 LEU HD23 H 1 0.569 0.000 . . . . . . . 161 L QD2 . 51833 1
184 . 1 . 1 24 24 LEU CA C 13 58.129 0.000 . . . . . . . 161 L CA . 51833 1
185 . 1 . 1 24 24 LEU CB C 13 41.102 0.000 . . . . . . . 161 L CB . 51833 1
186 . 1 . 1 24 24 LEU CD1 C 13 24.868 0.000 . . . . . . . 161 L CD* . 51833 1
187 . 1 . 1 24 24 LEU CD2 C 13 24.868 0.000 . . . . . . . 161 L CD* . 51833 1
188 . 1 . 1 24 24 LEU N N 15 118.734 0.000 . . . . . . . 161 L N . 51833 1
189 . 1 . 1 25 25 SER H H 1 8.229 0.000 . . . . . . . 162 S H . 51833 1
190 . 1 . 1 25 25 SER HB2 H 1 3.984 0.000 . . . . . . . 162 S QB . 51833 1
191 . 1 . 1 25 25 SER HB3 H 1 3.984 0.000 . . . . . . . 162 S QB . 51833 1
192 . 1 . 1 25 25 SER CA C 13 61.398 0.000 . . . . . . . 162 S CA . 51833 1
193 . 1 . 1 25 25 SER CB C 13 63.401 0.000 . . . . . . . 162 S CB . 51833 1
194 . 1 . 1 25 25 SER N N 15 113.027 0.000 . . . . . . . 162 S N . 51833 1
195 . 1 . 1 26 26 GLY H H 1 7.499 0.000 . . . . . . . 163 G H . 51833 1
196 . 1 . 1 26 26 GLY HA2 H 1 3.897 0.000 . . . . . . . 163 G HA2 . 51833 1
197 . 1 . 1 26 26 GLY HA3 H 1 3.984 0.000 . . . . . . . 163 G HA3 . 51833 1
198 . 1 . 1 26 26 GLY CA C 13 47.284 0.000 . . . . . . . 163 G CA . 51833 1
199 . 1 . 1 26 26 GLY N N 15 106.308 0.000 . . . . . . . 163 G N . 51833 1
200 . 1 . 1 27 27 LYS H H 1 7.686 0.000 . . . . . . . 164 K H . 51833 1
201 . 1 . 1 27 27 LYS HA H 1 4.111 0.000 . . . . . . . 164 K HA . 51833 1
202 . 1 . 1 27 27 LYS HB2 H 1 1.584 0.000 . . . . . . . 164 K HB2 . 51833 1
203 . 1 . 1 27 27 LYS HB3 H 1 1.615 0.000 . . . . . . . 164 K HB3 . 51833 1
204 . 1 . 1 27 27 LYS HG2 H 1 1.500 0.000 . . . . . . . 164 K HG2 . 51833 1
205 . 1 . 1 27 27 LYS HG3 H 1 1.510 0.000 . . . . . . . 164 K HG3 . 51833 1
206 . 1 . 1 27 27 LYS HD2 H 1 1.681 0.000 . . . . . . . 164 K HD2 . 51833 1
207 . 1 . 1 27 27 LYS HD3 H 1 1.733 0.000 . . . . . . . 164 K HD3 . 51833 1
208 . 1 . 1 27 27 LYS HE2 H 1 3.079 0.000 . . . . . . . 164 K HE2 . 51833 1
209 . 1 . 1 27 27 LYS HE3 H 1 3.067 0.000 . . . . . . . 164 K HE3 . 51833 1
210 . 1 . 1 27 27 LYS CA C 13 57.891 0.000 . . . . . . . 164 K CA . 51833 1
211 . 1 . 1 27 27 LYS CB C 13 33.058 0.000 . . . . . . . 164 K CB . 51833 1
212 . 1 . 1 27 27 LYS CG C 13 25.139 0.000 . . . . . . . 164 K CG . 51833 1
213 . 1 . 1 27 27 LYS CD C 13 28.638 0.000 . . . . . . . 164 K CD . 51833 1
214 . 1 . 1 27 27 LYS N N 15 119.882 0.000 . . . . . . . 164 K N . 51833 1
215 . 1 . 1 28 28 LEU H H 1 8.189 0.000 . . . . . . . 165 L H . 51833 1
216 . 1 . 1 28 28 LEU HA H 1 4.381 0.000 . . . . . . . 165 L HA . 51833 1
217 . 1 . 1 28 28 LEU HB2 H 1 1.495 0.000 . . . . . . . 165 L HB2 . 51833 1
218 . 1 . 1 28 28 LEU HB3 H 1 1.487 0.000 . . . . . . . 165 L HB3 . 51833 1
219 . 1 . 1 28 28 LEU HD11 H 1 0.539 0.000 . . . . . . . 165 L QD1 . 51833 1
220 . 1 . 1 28 28 LEU HD12 H 1 0.539 0.000 . . . . . . . 165 L QD1 . 51833 1
221 . 1 . 1 28 28 LEU HD13 H 1 0.539 0.000 . . . . . . . 165 L QD1 . 51833 1
222 . 1 . 1 28 28 LEU HD21 H 1 0.811 0.000 . . . . . . . 165 L QD2 . 51833 1
223 . 1 . 1 28 28 LEU HD22 H 1 0.811 0.000 . . . . . . . 165 L QD2 . 51833 1
224 . 1 . 1 28 28 LEU HD23 H 1 0.811 0.000 . . . . . . . 165 L QD2 . 51833 1
225 . 1 . 1 28 28 LEU CA C 13 55.303 0.000 . . . . . . . 165 L CA . 51833 1
226 . 1 . 1 28 28 LEU CD1 C 13 26.448 0.000 . . . . . . . 165 L CD1 . 51833 1
227 . 1 . 1 28 28 LEU CD2 C 13 26.468 0.000 . . . . . . . 165 L CD2 . 51833 1
228 . 1 . 1 28 28 LEU N N 15 115.472 0.000 . . . . . . . 165 L N . 51833 1
229 . 1 . 1 29 29 GLY H H 1 7.728 0.000 . . . . . . . 166 G H . 51833 1
230 . 1 . 1 29 29 GLY HA2 H 1 4.392 0.000 . . . . . . . 166 G QA . 51833 1
231 . 1 . 1 29 29 GLY HA3 H 1 4.392 0.000 . . . . . . . 166 G QA . 51833 1
232 . 1 . 1 29 29 GLY CA C 13 47.534 0.000 . . . . . . . 166 G CA . 51833 1
233 . 1 . 1 29 29 GLY N N 15 110.611 0.000 . . . . . . . 166 G N . 51833 1
234 . 1 . 1 30 30 THR H H 1 7.353 0.000 . . . . . . . 167 T H . 51833 1
235 . 1 . 1 30 30 THR CA C 13 60.079 0.000 . . . . . . . 167 T CA . 51833 1
236 . 1 . 1 30 30 THR CB C 13 73.776 0.000 . . . . . . . 167 T CB . 51833 1
237 . 1 . 1 30 30 THR N N 15 115.295 0.000 . . . . . . . 167 T N . 51833 1
238 . 1 . 1 31 31 PRO HA H 1 4.388 0.000 . . . . . . . 168 P HA . 51833 1
239 . 1 . 1 31 31 PRO HB2 H 1 2.581 0.000 . . . . . . . 168 P HB2 . 51833 1
240 . 1 . 1 31 31 PRO HB3 H 1 1.917 0.000 . . . . . . . 168 P HB3 . 51833 1
241 . 1 . 1 31 31 PRO CA C 13 63.649 0.000 . . . . . . . 168 P CA . 51833 1
242 . 1 . 1 31 31 PRO CB C 13 32.607 0.000 . . . . . . . 168 P CB . 51833 1
243 . 1 . 1 32 32 LYS H H 1 8.868 0.000 . . . . . . . 169 K H . 51833 1
244 . 1 . 1 32 32 LYS HA H 1 3.934 0.000 . . . . . . . 169 K HA . 51833 1
245 . 1 . 1 32 32 LYS HB2 H 1 1.422 0.000 . . . . . . . 169 K HB2 . 51833 1
246 . 1 . 1 32 32 LYS HB3 H 1 1.403 0.000 . . . . . . . 169 K HB3 . 51833 1
247 . 1 . 1 32 32 LYS CA C 13 61.232 0.000 . . . . . . . 169 K CA . 51833 1
248 . 1 . 1 32 32 LYS CB C 13 33.290 0.000 . . . . . . . 169 K CB . 51833 1
249 . 1 . 1 32 32 LYS N N 15 126.232 0.000 . . . . . . . 169 K N . 51833 1
250 . 1 . 1 33 33 LYS H H 1 8.884 0.000 . . . . . . . 170 K H . 51833 1
251 . 1 . 1 33 33 LYS HA H 1 4.091 0.000 . . . . . . . 170 K HA . 51833 1
252 . 1 . 1 33 33 LYS HB2 H 1 1.867 0.000 . . . . . . . 170 K HB2 . 51833 1
253 . 1 . 1 33 33 LYS CA C 13 60.040 0.000 . . . . . . . 170 K CA . 51833 1
254 . 1 . 1 33 33 LYS CB C 13 32.542 0.000 . . . . . . . 170 K CB . 51833 1
255 . 1 . 1 33 33 LYS N N 15 117.339 0.000 . . . . . . . 170 K N . 51833 1
256 . 1 . 1 34 34 GLU H H 1 6.995 0.000 . . . . . . . 171 E H . 51833 1
257 . 1 . 1 34 34 GLU HA H 1 4.277 0.000 . . . . . . . 171 E HA . 51833 1
258 . 1 . 1 34 34 GLU HB2 H 1 2.004 0.000 . . . . . . . 171 E HB2 . 51833 1
259 . 1 . 1 34 34 GLU CA C 13 58.510 0.000 . . . . . . . 171 E CA . 51833 1
260 . 1 . 1 34 34 GLU CB C 13 29.744 0.000 . . . . . . . 171 E CB . 51833 1
261 . 1 . 1 34 34 GLU N N 15 118.224 0.000 . . . . . . . 171 E N . 51833 1
262 . 1 . 1 35 35 ILE H H 1 7.613 0.000 . . . . . . . 172 I H . 51833 1
263 . 1 . 1 35 35 ILE HA H 1 3.470 0.000 . . . . . . . 172 I HA . 51833 1
264 . 1 . 1 35 35 ILE HB H 1 2.097 0.000 . . . . . . . 172 I HB . 51833 1
265 . 1 . 1 35 35 ILE HG12 H 1 1.326 0.000 . . . . . . . 172 I HG12 . 51833 1
266 . 1 . 1 35 35 ILE HG13 H 1 1.316 0.000 . . . . . . . 172 I HG13 . 51833 1
267 . 1 . 1 35 35 ILE HG21 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51833 1
268 . 1 . 1 35 35 ILE HG22 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51833 1
269 . 1 . 1 35 35 ILE HG23 H 1 0.768 0.000 . . . . . . . 172 I QG2 . 51833 1
270 . 1 . 1 35 35 ILE HD11 H 1 0.570 0.000 . . . . . . . 172 I QD1 . 51833 1
271 . 1 . 1 35 35 ILE HD12 H 1 0.570 0.000 . . . . . . . 172 I QD1 . 51833 1
272 . 1 . 1 35 35 ILE HD13 H 1 0.570 0.000 . . . . . . . 172 I QD1 . 51833 1
273 . 1 . 1 35 35 ILE CA C 13 62.813 0.000 . . . . . . . 172 I CA . 51833 1
274 . 1 . 1 35 35 ILE CB C 13 36.215 0.000 . . . . . . . 172 I CB . 51833 1
275 . 1 . 1 35 35 ILE CG1 C 13 27.692 0.000 . . . . . . . 172 I CG1 . 51833 1
276 . 1 . 1 35 35 ILE CG2 C 13 18.377 0.000 . . . . . . . 172 I CG2 . 51833 1
277 . 1 . 1 35 35 ILE CD1 C 13 11.061 0.000 . . . . . . . 172 I CD1 . 51833 1
278 . 1 . 1 35 35 ILE N N 15 118.487 0.000 . . . . . . . 172 I N . 51833 1
279 . 1 . 1 36 36 SER H H 1 8.762 0.000 . . . . . . . 173 S H . 51833 1
280 . 1 . 1 36 36 SER CA C 13 63.098 0.000 . . . . . . . 173 S CA . 51833 1
281 . 1 . 1 36 36 SER CB C 13 61.550 0.000 . . . . . . . 173 S CB . 51833 1
282 . 1 . 1 36 36 SER N N 15 114.047 0.000 . . . . . . . 173 S N . 51833 1
283 . 1 . 1 37 37 ARG H H 1 7.214 0.000 . . . . . . . 174 R H . 51833 1
284 . 1 . 1 37 37 ARG HA H 1 4.048 0.000 . . . . . . . 174 R HA . 51833 1
285 . 1 . 1 37 37 ARG HB2 H 1 2.032 0.000 . . . . . . . 174 R HB2 . 51833 1
286 . 1 . 1 37 37 ARG CA C 13 60.119 0.000 . . . . . . . 174 R CA . 51833 1
287 . 1 . 1 37 37 ARG CB C 13 30.407 0.000 . . . . . . . 174 R CB . 51833 1
288 . 1 . 1 37 37 ARG N N 15 119.029 0.000 . . . . . . . 174 R N . 51833 1
289 . 1 . 1 38 38 VAL H H 1 7.539 0.000 . . . . . . . 175 V H . 51833 1
290 . 1 . 1 38 38 VAL HA H 1 3.757 0.000 . . . . . . . 175 V HA . 51833 1
291 . 1 . 1 38 38 VAL HB H 1 1.967 0.000 . . . . . . . 175 V HB . 51833 1
292 . 1 . 1 38 38 VAL HG21 H 1 0.832 0.000 . . . . . . . 175 V QG2 . 51833 1
293 . 1 . 1 38 38 VAL HG22 H 1 0.832 0.000 . . . . . . . 175 V QG2 . 51833 1
294 . 1 . 1 38 38 VAL HG23 H 1 0.832 0.000 . . . . . . . 175 V QG2 . 51833 1
295 . 1 . 1 38 38 VAL CA C 13 66.185 0.000 . . . . . . . 175 V CA . 51833 1
296 . 1 . 1 38 38 VAL CB C 13 31.526 0.000 . . . . . . . 175 V CB . 51833 1
297 . 1 . 1 38 38 VAL N N 15 120.562 0.000 . . . . . . . 175 V N . 51833 1
298 . 1 . 1 39 39 LEU H H 1 8.343 0.000 . . . . . . . 176 L H . 51833 1
299 . 1 . 1 39 39 LEU HA H 1 3.409 0.000 . . . . . . . 176 L HA . 51833 1
300 . 1 . 1 39 39 LEU HB2 H 1 0.894 0.000 . . . . . . . 176 L HB2 . 51833 1
301 . 1 . 1 39 39 LEU HB3 H 1 0.945 0.000 . . . . . . . 176 L HB3 . 51833 1
302 . 1 . 1 39 39 LEU HD11 H 1 -0.007 0.000 . . . . . . . 176 L QD1 . 51833 1
303 . 1 . 1 39 39 LEU HD12 H 1 -0.007 0.000 . . . . . . . 176 L QD1 . 51833 1
304 . 1 . 1 39 39 LEU HD13 H 1 -0.007 0.000 . . . . . . . 176 L QD1 . 51833 1
305 . 1 . 1 39 39 LEU HD21 H 1 1.015 0.000 . . . . . . . 176 L QD2 . 51833 1
306 . 1 . 1 39 39 LEU HD22 H 1 1.015 0.000 . . . . . . . 176 L QD2 . 51833 1
307 . 1 . 1 39 39 LEU HD23 H 1 1.015 0.000 . . . . . . . 176 L QD2 . 51833 1
308 . 1 . 1 39 39 LEU CA C 13 58.489 0.000 . . . . . . . 176 L CA . 51833 1
309 . 1 . 1 39 39 LEU CB C 13 38.675 0.000 . . . . . . . 176 L CB . 51833 1
310 . 1 . 1 39 39 LEU CD1 C 13 24.653 0.000 . . . . . . . 176 L CD1 . 51833 1
311 . 1 . 1 39 39 LEU CD2 C 13 24.610 0.000 . . . . . . . 176 L CD2 . 51833 1
312 . 1 . 1 39 39 LEU N N 15 121.543 0.000 . . . . . . . 176 L N . 51833 1
313 . 1 . 1 40 40 TYR H H 1 7.864 0.000 . . . . . . . 177 Y H . 51833 1
314 . 1 . 1 40 40 TYR HA H 1 4.200 0.000 . . . . . . . 177 Y HA . 51833 1
315 . 1 . 1 40 40 TYR HB2 H 1 3.127 0.000 . . . . . . . 177 Y HB2 . 51833 1
316 . 1 . 1 40 40 TYR HB3 H 1 3.155 0.000 . . . . . . . 177 Y HB3 . 51833 1
317 . 1 . 1 40 40 TYR CA C 13 63.013 0.000 . . . . . . . 177 Y CA . 51833 1
318 . 1 . 1 40 40 TYR CB C 13 38.058 0.000 . . . . . . . 177 Y CB . 51833 1
319 . 1 . 1 40 40 TYR N N 15 115.451 0.000 . . . . . . . 177 Y N . 51833 1
320 . 1 . 1 41 41 SER H H 1 7.765 0.000 . . . . . . . 178 S H . 51833 1
321 . 1 . 1 41 41 SER HA H 1 4.183 0.000 . . . . . . . 178 S HA . 51833 1
322 . 1 . 1 41 41 SER CA C 13 61.771 0.000 . . . . . . . 178 S CA . 51833 1
323 . 1 . 1 41 41 SER CB C 13 63.031 0.000 . . . . . . . 178 S CB . 51833 1
324 . 1 . 1 41 41 SER N N 15 115.823 0.000 . . . . . . . 178 S N . 51833 1
325 . 1 . 1 42 42 LEU H H 1 8.601 0.000 . . . . . . . 179 L H . 51833 1
326 . 1 . 1 42 42 LEU HA H 1 4.012 0.000 . . . . . . . 179 L HA . 51833 1
327 . 1 . 1 42 42 LEU HB2 H 1 2.133 0.000 . . . . . . . 179 L HB2 . 51833 1
328 . 1 . 1 42 42 LEU HB3 H 1 1.211 0.000 . . . . . . . 179 L HB3 . 51833 1
329 . 1 . 1 42 42 LEU HG H 1 1.325 0.000 . . . . . . . 179 L HG . 51833 1
330 . 1 . 1 42 42 LEU HD11 H 1 -0.086 0.000 . . . . . . . 179 L QD1 . 51833 1
331 . 1 . 1 42 42 LEU HD12 H 1 -0.086 0.000 . . . . . . . 179 L QD1 . 51833 1
332 . 1 . 1 42 42 LEU HD13 H 1 -0.086 0.000 . . . . . . . 179 L QD1 . 51833 1
333 . 1 . 1 42 42 LEU HD21 H 1 0.454 0.000 . . . . . . . 179 L QD2 . 51833 1
334 . 1 . 1 42 42 LEU HD22 H 1 0.454 0.000 . . . . . . . 179 L QD2 . 51833 1
335 . 1 . 1 42 42 LEU HD23 H 1 0.454 0.000 . . . . . . . 179 L QD2 . 51833 1
336 . 1 . 1 42 42 LEU CA C 13 58.059 0.000 . . . . . . . 179 L CA . 51833 1
337 . 1 . 1 42 42 LEU CB C 13 43.077 0.000 . . . . . . . 179 L CB . 51833 1
338 . 1 . 1 42 42 LEU CG C 13 29.600 0.000 . . . . . . . 179 L CG . 51833 1
339 . 1 . 1 42 42 LEU CD1 C 13 24.130 0.000 . . . . . . . 179 L CD* . 51833 1
340 . 1 . 1 42 42 LEU CD2 C 13 24.130 0.000 . . . . . . . 179 L CD* . 51833 1
341 . 1 . 1 42 42 LEU N N 15 120.756 0.000 . . . . . . . 179 L N . 51833 1
342 . 1 . 1 43 43 ALA H H 1 8.715 0.000 . . . . . . . 180 A H . 51833 1
343 . 1 . 1 43 43 ALA HA H 1 4.579 0.000 . . . . . . . 180 A HA . 51833 1
344 . 1 . 1 43 43 ALA HB1 H 1 1.741 0.000 . . . . . . . 180 A HB# . 51833 1
345 . 1 . 1 43 43 ALA HB2 H 1 1.741 0.000 . . . . . . . 180 A HB# . 51833 1
346 . 1 . 1 43 43 ALA HB3 H 1 1.741 0.000 . . . . . . . 180 A HB# . 51833 1
347 . 1 . 1 43 43 ALA CA C 13 55.422 0.000 . . . . . . . 180 A CA . 51833 1
348 . 1 . 1 43 43 ALA CB C 13 18.203 0.000 . . . . . . . 180 A CB . 51833 1
349 . 1 . 1 43 43 ALA N N 15 123.623 0.000 . . . . . . . 180 A N . 51833 1
350 . 1 . 1 44 44 LYS H H 1 8.215 0.000 . . . . . . . 181 K H . 51833 1
351 . 1 . 1 44 44 LYS HA H 1 4.148 0.000 . . . . . . . 181 K HA . 51833 1
352 . 1 . 1 44 44 LYS HB2 H 1 2.053 0.000 . . . . . . . 181 K HB2 . 51833 1
353 . 1 . 1 44 44 LYS HB3 H 1 2.087 0.000 . . . . . . . 181 K HB3 . 51833 1
354 . 1 . 1 44 44 LYS HD2 H 1 1.787 0.000 . . . . . . . 181 K HD2 . 51833 1
355 . 1 . 1 44 44 LYS HE2 H 1 3.055 0.000 . . . . . . . 181 K HE2 . 51833 1
356 . 1 . 1 44 44 LYS CA C 13 59.546 0.000 . . . . . . . 181 K CA . 51833 1
357 . 1 . 1 44 44 LYS CB C 13 32.185 0.000 . . . . . . . 181 K CB . 51833 1
358 . 1 . 1 44 44 LYS CD C 13 29.556 0.000 . . . . . . . 181 K CD . 51833 1
359 . 1 . 1 44 44 LYS CE C 13 42.455 0.000 . . . . . . . 181 K CE . 51833 1
360 . 1 . 1 44 44 LYS N N 15 122.427 0.000 . . . . . . . 181 K N . 51833 1
361 . 1 . 1 45 45 LYS H H 1 7.585 0.000 . . . . . . . 182 K H . 51833 1
362 . 1 . 1 45 45 LYS HA H 1 4.415 0.000 . . . . . . . 182 K HA . 51833 1
363 . 1 . 1 45 45 LYS HB2 H 1 2.116 0.000 . . . . . . . 182 K HB2 . 51833 1
364 . 1 . 1 45 45 LYS HB3 H 1 1.875 0.000 . . . . . . . 182 K HB3 . 51833 1
365 . 1 . 1 45 45 LYS HD2 H 1 1.819 0.000 . . . . . . . 182 K HD2 . 51833 1
366 . 1 . 1 45 45 LYS HD3 H 1 1.549 0.000 . . . . . . . 182 K HD3 . 51833 1
367 . 1 . 1 45 45 LYS HE2 H 1 2.981 0.000 . . . . . . . 182 K HE2 . 51833 1
368 . 1 . 1 45 45 LYS CA C 13 57.377 0.000 . . . . . . . 182 K CA . 51833 1
369 . 1 . 1 45 45 LYS CB C 13 34.060 0.000 . . . . . . . 182 K CB . 51833 1
370 . 1 . 1 45 45 LYS CD C 13 26.590 0.000 . . . . . . . 182 K CD . 51833 1
371 . 1 . 1 45 45 LYS CE C 13 42.425 0.000 . . . . . . . 182 K CE . 51833 1
372 . 1 . 1 45 45 LYS N N 15 115.637 0.000 . . . . . . . 182 K N . 51833 1
373 . 1 . 1 46 46 GLY H H 1 7.968 0.000 . . . . . . . 183 G H . 51833 1
374 . 1 . 1 46 46 GLY HA2 H 1 4.420 0.000 . . . . . . . 183 G HA2 . 51833 1
375 . 1 . 1 46 46 GLY HA3 H 1 4.426 0.000 . . . . . . . 183 G HA3 . 51833 1
376 . 1 . 1 46 46 GLY CA C 13 45.945 0.000 . . . . . . . 183 G CA . 51833 1
377 . 1 . 1 46 46 GLY N N 15 107.203 0.000 . . . . . . . 183 G N . 51833 1
378 . 1 . 1 47 47 LYS H H 1 7.993 0.000 . . . . . . . 184 K H . 51833 1
379 . 1 . 1 47 47 LYS HA H 1 4.504 0.000 . . . . . . . 184 K HA . 51833 1
380 . 1 . 1 47 47 LYS HB2 H 1 1.889 0.000 . . . . . . . 184 K HB2 . 51833 1
381 . 1 . 1 47 47 LYS HB3 H 1 1.891 0.000 . . . . . . . 184 K HB3 . 51833 1
382 . 1 . 1 47 47 LYS CA C 13 56.214 0.000 . . . . . . . 184 K CA . 51833 1
383 . 1 . 1 47 47 LYS CB C 13 33.755 0.000 . . . . . . . 184 K CB . 51833 1
384 . 1 . 1 47 47 LYS N N 15 114.842 0.000 . . . . . . . 184 K N . 51833 1
385 . 1 . 1 48 48 LEU H H 1 6.870 0.000 . . . . . . . 185 L H . 51833 1
386 . 1 . 1 48 48 LEU HA H 1 5.222 0.000 . . . . . . . 185 L HA . 51833 1
387 . 1 . 1 48 48 LEU HB2 H 1 1.795 0.000 . . . . . . . 185 L HB2 . 51833 1
388 . 1 . 1 48 48 LEU HB3 H 1 1.408 0.000 . . . . . . . 185 L HB3 . 51833 1
389 . 1 . 1 48 48 LEU HD11 H 1 0.854 0.000 . . . . . . . 185 L QD1 . 51833 1
390 . 1 . 1 48 48 LEU HD12 H 1 0.854 0.000 . . . . . . . 185 L QD1 . 51833 1
391 . 1 . 1 48 48 LEU HD13 H 1 0.854 0.000 . . . . . . . 185 L QD1 . 51833 1
392 . 1 . 1 48 48 LEU CA C 13 52.795 0.000 . . . . . . . 185 L CA . 51833 1
393 . 1 . 1 48 48 LEU CB C 13 47.150 0.000 . . . . . . . 185 L CB . 51833 1
394 . 1 . 1 48 48 LEU CD1 C 13 25.629 0.000 . . . . . . . 185 L CD1 . 51833 1
395 . 1 . 1 48 48 LEU CD2 C 13 26.468 0.000 . . . . . . . 185 L CD2 . 51833 1
396 . 1 . 1 48 48 LEU N N 15 113.943 0.000 . . . . . . . 185 L N . 51833 1
397 . 1 . 1 49 49 GLN H H 1 9.246 0.000 . . . . . . . 186 Q H . 51833 1
398 . 1 . 1 49 49 GLN HA H 1 4.639 0.000 . . . . . . . 186 Q HA . 51833 1
399 . 1 . 1 49 49 GLN HB2 H 1 1.898 0.000 . . . . . . . 186 Q HB2 . 51833 1
400 . 1 . 1 49 49 GLN HE21 H 1 7.632 0.000 . . . . . . . 186 Q HE21 . 51833 1
401 . 1 . 1 49 49 GLN HE22 H 1 6.848 0.000 . . . . . . . 186 Q HE22 . 51833 1
402 . 1 . 1 49 49 GLN CA C 13 54.678 0.000 . . . . . . . 186 Q CA . 51833 1
403 . 1 . 1 49 49 GLN CB C 13 32.876 0.000 . . . . . . . 186 Q CB . 51833 1
404 . 1 . 1 49 49 GLN N N 15 118.683 0.000 . . . . . . . 186 Q N . 51833 1
405 . 1 . 1 49 49 GLN NE2 N 15 112.514 0.000 . . . . . . . 186 Q NE2 . 51833 1
406 . 1 . 1 50 50 LYS H H 1 8.292 0.000 . . . . . . . 187 K H . 51833 1
407 . 1 . 1 50 50 LYS HA H 1 4.240 0.000 . . . . . . . 187 K HA . 51833 1
408 . 1 . 1 50 50 LYS HB2 H 1 1.110 0.000 . . . . . . . 187 K HB2 . 51833 1
409 . 1 . 1 50 50 LYS CA C 13 54.622 0.000 . . . . . . . 187 K CA . 51833 1
410 . 1 . 1 50 50 LYS CB C 13 34.355 0.000 . . . . . . . 187 K CB . 51833 1
411 . 1 . 1 50 50 LYS N N 15 124.172 0.000 . . . . . . . 187 K N . 51833 1
412 . 1 . 1 51 51 GLU H H 1 9.045 0.000 . . . . . . . 188 E H . 51833 1
413 . 1 . 1 51 51 GLU HA H 1 4.464 0.000 . . . . . . . 188 E HA . 51833 1
414 . 1 . 1 51 51 GLU HB2 H 1 1.903 0.000 . . . . . . . 188 E HB2 . 51833 1
415 . 1 . 1 51 51 GLU HB3 H 1 1.685 0.000 . . . . . . . 188 E HB3 . 51833 1
416 . 1 . 1 51 51 GLU CA C 13 54.657 0.000 . . . . . . . 188 E CA . 51833 1
417 . 1 . 1 51 51 GLU CB C 13 31.855 0.000 . . . . . . . 188 E CB . 51833 1
418 . 1 . 1 51 51 GLU N N 15 128.289 0.000 . . . . . . . 188 E N . 51833 1
419 . 1 . 1 52 52 ALA H H 1 8.258 0.000 . . . . . . . 189 A H . 51833 1
420 . 1 . 1 52 52 ALA HA H 1 4.061 0.000 . . . . . . . 189 A HA . 51833 1
421 . 1 . 1 52 52 ALA HB1 H 1 1.369 0.000 . . . . . . . 189 A HB# . 51833 1
422 . 1 . 1 52 52 ALA HB2 H 1 1.369 0.000 . . . . . . . 189 A HB# . 51833 1
423 . 1 . 1 52 52 ALA HB3 H 1 1.369 0.000 . . . . . . . 189 A HB# . 51833 1
424 . 1 . 1 52 52 ALA CA C 13 53.194 0.000 . . . . . . . 189 A CA . 51833 1
425 . 1 . 1 52 52 ALA CB C 13 19.343 0.000 . . . . . . . 189 A CB . 51833 1
426 . 1 . 1 52 52 ALA N N 15 125.289 0.000 . . . . . . . 189 A N . 51833 1
427 . 1 . 1 53 53 GLY H H 1 7.691 0.000 . . . . . . . 190 G H . 51833 1
428 . 1 . 1 53 53 GLY HA2 H 1 4.016 0.000 . . . . . . . 190 G HA2 . 51833 1
429 . 1 . 1 53 53 GLY HA3 H 1 4.020 0.000 . . . . . . . 190 G HA3 . 51833 1
430 . 1 . 1 53 53 GLY CA C 13 45.047 0.000 . . . . . . . 190 G CA . 51833 1
431 . 1 . 1 53 53 GLY N N 15 107.194 0.000 . . . . . . . 190 G N . 51833 1
432 . 1 . 1 54 54 THR H H 1 8.211 0.000 . . . . . . . 191 T H . 51833 1
433 . 1 . 1 54 54 THR CA C 13 57.868 0.000 . . . . . . . 191 T CA . 51833 1
434 . 1 . 1 54 54 THR CB C 13 70.706 0.000 . . . . . . . 191 T CB . 51833 1
435 . 1 . 1 54 54 THR N N 15 113.294 0.000 . . . . . . . 191 T N . 51833 1
436 . 1 . 1 55 55 PRO HA H 1 5.215 0.000 . . . . . . . 192 P HA . 51833 1
437 . 1 . 1 55 55 PRO HG2 H 1 2.116 0.000 . . . . . . . 192 P HG2 . 51833 1
438 . 1 . 1 55 55 PRO HG3 H 1 1.917 0.000 . . . . . . . 192 P HG3 . 51833 1
439 . 1 . 1 55 55 PRO CA C 13 63.103 0.000 . . . . . . . 192 P CA . 51833 1
440 . 1 . 1 55 55 PRO CG C 13 25.101 0.000 . . . . . . . 192 P CG . 51833 1
441 . 1 . 1 56 56 PRO HB2 H 1 1.451 0.000 . . . . . . . 193 P HB2 . 51833 1
442 . 1 . 1 56 56 PRO CA C 13 63.480 0.000 . . . . . . . 193 P CA . 51833 1
443 . 1 . 1 56 56 PRO CB C 13 32.423 0.000 . . . . . . . 193 P CB . 51833 1
444 . 1 . 1 57 57 LEU H H 1 7.377 0.000 . . . . . . . 194 L H . 51833 1
445 . 1 . 1 57 57 LEU HA H 1 4.824 0.000 . . . . . . . 194 L HA . 51833 1
446 . 1 . 1 57 57 LEU HB2 H 1 1.282 0.000 . . . . . . . 194 L HB2 . 51833 1
447 . 1 . 1 57 57 LEU HB3 H 1 1.430 0.000 . . . . . . . 194 L HB3 . 51833 1
448 . 1 . 1 57 57 LEU CA C 13 53.313 0.000 . . . . . . . 194 L CA . 51833 1
449 . 1 . 1 57 57 LEU CB C 13 45.575 0.000 . . . . . . . 194 L CB . 51833 1
450 . 1 . 1 57 57 LEU N N 15 119.499 0.000 . . . . . . . 194 L N . 51833 1
451 . 1 . 1 58 58 TRP H H 1 8.916 0.000 . . . . . . . 195 W H . 51833 1
452 . 1 . 1 58 58 TRP HA H 1 5.214 0.000 . . . . . . . 195 W HA . 51833 1
453 . 1 . 1 58 58 TRP HB2 H 1 2.913 0.000 . . . . . . . 195 W HB2 . 51833 1
454 . 1 . 1 58 58 TRP HB3 H 1 2.824 0.000 . . . . . . . 195 W HB3 . 51833 1
455 . 1 . 1 58 58 TRP HE1 H 1 9.756 0.000 . . . . . . . 195 W HE1 . 51833 1
456 . 1 . 1 58 58 TRP CA C 13 56.334 0.000 . . . . . . . 195 W CA . 51833 1
457 . 1 . 1 58 58 TRP CB C 13 32.226 0.000 . . . . . . . 195 W CB . 51833 1
458 . 1 . 1 58 58 TRP N N 15 120.048 0.000 . . . . . . . 195 W N . 51833 1
459 . 1 . 1 58 58 TRP NE1 N 15 128.469 0.000 . . . . . . . 195 W NE1 . 51833 1
460 . 1 . 1 59 59 LYS H H 1 8.584 0.000 . . . . . . . 196 K H . 51833 1
461 . 1 . 1 59 59 LYS HA H 1 5.030 0.000 . . . . . . . 196 K HA . 51833 1
462 . 1 . 1 59 59 LYS HB2 H 1 1.820 0.000 . . . . . . . 196 K HB2 . 51833 1
463 . 1 . 1 59 59 LYS HG2 H 1 1.389 0.000 . . . . . . . 196 K HG2 . 51833 1
464 . 1 . 1 59 59 LYS HD2 H 1 1.545 0.000 . . . . . . . 196 K HD2 . 51833 1
465 . 1 . 1 59 59 LYS CA C 13 54.227 0.000 . . . . . . . 196 K CA . 51833 1
466 . 1 . 1 59 59 LYS CB C 13 37.466 0.000 . . . . . . . 196 K CB . 51833 1
467 . 1 . 1 59 59 LYS CG C 13 22.574 0.000 . . . . . . . 196 K CG . 51833 1
468 . 1 . 1 59 59 LYS CD C 13 30.154 0.000 . . . . . . . 196 K CD . 51833 1
469 . 1 . 1 59 59 LYS N N 15 116.426 0.000 . . . . . . . 196 K N . 51833 1
470 . 1 . 1 60 60 ILE H H 1 8.829 0.000 . . . . . . . 197 I H . 51833 1
471 . 1 . 1 60 60 ILE HA H 1 4.116 0.000 . . . . . . . 197 I HA . 51833 1
472 . 1 . 1 60 60 ILE HB H 1 1.845 0.000 . . . . . . . 197 I HB . 51833 1
473 . 1 . 1 60 60 ILE HG12 H 1 1.279 0.000 . . . . . . . 197 I HG12 . 51833 1
474 . 1 . 1 60 60 ILE HG21 H 1 1.028 0.000 . . . . . . . 197 I QG2 . 51833 1
475 . 1 . 1 60 60 ILE HG22 H 1 1.028 0.000 . . . . . . . 197 I QG2 . 51833 1
476 . 1 . 1 60 60 ILE HG23 H 1 1.028 0.000 . . . . . . . 197 I QG2 . 51833 1
477 . 1 . 1 60 60 ILE HD11 H 1 0.955 0.000 . . . . . . . 197 I QD1 . 51833 1
478 . 1 . 1 60 60 ILE HD12 H 1 0.955 0.000 . . . . . . . 197 I QD1 . 51833 1
479 . 1 . 1 60 60 ILE HD13 H 1 0.955 0.000 . . . . . . . 197 I QD1 . 51833 1
480 . 1 . 1 60 60 ILE CA C 13 62.159 0.000 . . . . . . . 197 I CA . 51833 1
481 . 1 . 1 60 60 ILE CB C 13 38.191 0.000 . . . . . . . 197 I CB . 51833 1
482 . 1 . 1 60 60 ILE CG1 C 13 28.919 0.000 . . . . . . . 197 I CG1 . 51833 1
483 . 1 . 1 60 60 ILE CD1 C 13 12.993 0.000 . . . . . . . 197 I CD1 . 51833 1
484 . 1 . 1 60 60 ILE N N 15 121.522 0.000 . . . . . . . 197 I N . 51833 1
485 . 1 . 1 61 61 ALA H H 1 7.694 0.000 . . . . . . . 198 A H . 51833 1
486 . 1 . 1 61 61 ALA HA H 1 4.325 0.000 . . . . . . . 198 A HA . 51833 1
487 . 1 . 1 61 61 ALA HB1 H 1 1.171 0.000 . . . . . . . 198 A HB# . 51833 1
488 . 1 . 1 61 61 ALA HB2 H 1 1.171 0.000 . . . . . . . 198 A HB# . 51833 1
489 . 1 . 1 61 61 ALA HB3 H 1 1.171 0.000 . . . . . . . 198 A HB# . 51833 1
490 . 1 . 1 61 61 ALA CA C 13 52.530 0.000 . . . . . . . 198 A CA . 51833 1
491 . 1 . 1 61 61 ALA CB C 13 19.432 0.000 . . . . . . . 198 A CB . 51833 1
492 . 1 . 1 61 61 ALA N N 15 128.655 0.000 . . . . . . . 198 A N . 51833 1
493 . 1 . 1 62 62 VAL H H 1 8.063 0.000 . . . . . . . 199 V H . 51833 1
494 . 1 . 1 62 62 VAL HA H 1 4.172 0.000 . . . . . . . 199 V HA . 51833 1
495 . 1 . 1 62 62 VAL HB H 1 2.071 0.000 . . . . . . . 199 V HB . 51833 1
496 . 1 . 1 62 62 VAL CA C 13 62.253 0.000 . . . . . . . 199 V CA . 51833 1
497 . 1 . 1 62 62 VAL CB C 13 33.429 0.000 . . . . . . . 199 V CB . 51833 1
498 . 1 . 1 62 62 VAL N N 15 120.596 0.000 . . . . . . . 199 V N . 51833 1
499 . 1 . 1 63 63 SER H H 1 8.493 0.000 . . . . . . . 200 S H . 51833 1
500 . 1 . 1 63 63 SER HA H 1 4.559 0.000 . . . . . . . 200 S HA . 51833 1
501 . 1 . 1 63 63 SER HB2 H 1 3.943 0.000 . . . . . . . 200 S HB2 . 51833 1
502 . 1 . 1 63 63 SER HB3 H 1 3.929 0.000 . . . . . . . 200 S HB3 . 51833 1
503 . 1 . 1 63 63 SER CA C 13 58.478 0.000 . . . . . . . 200 S CA . 51833 1
504 . 1 . 1 63 63 SER CB C 13 64.311 0.000 . . . . . . . 200 S CB . 51833 1
505 . 1 . 1 63 63 SER N N 15 119.867 0.000 . . . . . . . 200 S N . 51833 1
506 . 1 . 1 64 64 THR H H 1 8.254 0.000 . . . . . . . 201 T H . 51833 1
507 . 1 . 1 64 64 THR HA H 1 4.413 0.000 . . . . . . . 201 T HA . 51833 1
508 . 1 . 1 64 64 THR CA C 13 62.124 0.000 . . . . . . . 201 T CA . 51833 1
509 . 1 . 1 64 64 THR CB C 13 70.070 0.000 . . . . . . . 201 T CB . 51833 1
510 . 1 . 1 64 64 THR N N 15 116.206 0.000 . . . . . . . 201 T N . 51833 1
511 . 1 . 1 65 65 GLN H H 1 7.969 0.000 . . . . . . . 202 Q H . 51833 1
512 . 1 . 1 65 65 GLN HB2 H 1 2.139 0.000 . . . . . . . 202 Q HB2 . 51833 1
513 . 1 . 1 65 65 GLN HB3 H 1 1.942 0.000 . . . . . . . 202 Q HB3 . 51833 1
514 . 1 . 1 65 65 GLN HE21 H 1 7.471 0.000 . . . . . . . 202 Q HE21 . 51833 1
515 . 1 . 1 65 65 GLN HE22 H 1 6.769 0.000 . . . . . . . 202 Q HE22 . 51833 1
516 . 1 . 1 65 65 GLN CA C 13 57.801 0.000 . . . . . . . 202 Q CA . 51833 1
517 . 1 . 1 65 65 GLN CB C 13 30.705 0.000 . . . . . . . 202 Q CB . 51833 1
518 . 1 . 1 65 65 GLN N N 15 127.011 0.000 . . . . . . . 202 Q N . 51833 1
519 . 1 . 1 65 65 GLN NE2 N 15 112.350 0.000 . . . . . . . 202 Q NE2 . 51833 1
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