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 52788
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'BRD2-BD1 R100Y V106I G109N triple mutant'
_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' . . . 52788 1
2 '3D CBCA(CO)NH' . . . 52788 1
3 '3D HNCA' . . . 52788 1
4 '3D HNCACB' . . . 52788 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 . . 52788 1
2 $software_2 . . 52788 1
3 $software_3 . . 52788 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 2 2 PRO CA C 13 63.045 0.000 . 1 . . . . . 2 P CA . 52788 1
2 . 1 . 1 2 2 PRO CB C 13 32.195 0.000 . 1 . . . . . 2 P CB . 52788 1
3 . 1 . 1 3 3 LEU H H 1 8.467 0.000 . 1 . . . . . 3 L H . 52788 1
4 . 1 . 1 3 3 LEU CA C 13 55.415 0.000 . 1 . . . . . 3 L CA . 52788 1
5 . 1 . 1 3 3 LEU CB C 13 42.324 0.000 . 1 . . . . . 3 L CB . 52788 1
6 . 1 . 1 3 3 LEU N N 15 122.426 0.000 . 1 . . . . . 3 L N . 52788 1
7 . 1 . 1 4 4 GLY H H 1 8.390 0.000 . 1 . . . . . 4 G H . 52788 1
8 . 1 . 1 4 4 GLY CA C 13 45.302 0.000 . 1 . . . . . 4 G CA . 52788 1
9 . 1 . 1 4 4 GLY N N 15 110.131 0.000 . 1 . . . . . 4 G N . 52788 1
10 . 1 . 1 5 5 SER H H 1 8.080 0.000 . 1 . . . . . 5 S H . 52788 1
11 . 1 . 1 5 5 SER CA C 13 58.425 0.000 . 1 . . . . . 5 S CA . 52788 1
12 . 1 . 1 5 5 SER CB C 13 63.946 0.000 . 1 . . . . . 5 S CB . 52788 1
13 . 1 . 1 5 5 SER N N 15 115.458 0.000 . 1 . . . . . 5 S N . 52788 1
14 . 1 . 1 6 6 GLU H H 1 8.553 0.000 . 1 . . . . . 6 E H . 52788 1
15 . 1 . 1 6 6 GLU CA C 13 56.865 0.000 . 1 . . . . . 6 E CA . 52788 1
16 . 1 . 1 6 6 GLU CB C 13 29.951 0.000 . 1 . . . . . 6 E CB . 52788 1
17 . 1 . 1 6 6 GLU N N 15 122.711 0.000 . 1 . . . . . 6 E N . 52788 1
18 . 1 . 1 7 7 VAL H H 1 8.101 0.000 . 1 . . . . . 7 V H . 52788 1
19 . 1 . 1 7 7 VAL CA C 13 62.121 0.000 . 1 . . . . . 7 V CA . 52788 1
20 . 1 . 1 7 7 VAL CB C 13 32.544 0.000 . 1 . . . . . 7 V CB . 52788 1
21 . 1 . 1 7 7 VAL N N 15 118.725 0.000 . 1 . . . . . 7 V N . 52788 1
22 . 1 . 1 8 8 SER H H 1 8.011 0.000 . 1 . . . . . 8 S H . 52788 1
23 . 1 . 1 8 8 SER CA C 13 57.968 0.000 . 1 . . . . . 8 S CA . 52788 1
24 . 1 . 1 8 8 SER CB C 13 63.991 0.000 . 1 . . . . . 8 S CB . 52788 1
25 . 1 . 1 8 8 SER N N 15 117.719 0.000 . 1 . . . . . 8 S N . 52788 1
26 . 1 . 1 10 10 PRO CA C 13 63.389 0.000 . 1 . . . . . 10 P CA . 52788 1
27 . 1 . 1 10 10 PRO CB C 13 32.012 0.000 . 1 . . . . . 10 P CB . 52788 1
28 . 1 . 1 11 11 LYS H H 1 8.132 0.000 . 1 . . . . . 11 K H . 52788 1
29 . 1 . 1 11 11 LYS CA C 13 56.045 0.000 . 1 . . . . . 11 K CA . 52788 1
30 . 1 . 1 11 11 LYS CB C 13 32.923 0.000 . 1 . . . . . 11 K CB . 52788 1
31 . 1 . 1 11 11 LYS N N 15 120.567 0.000 . 1 . . . . . 11 K N . 52788 1
32 . 1 . 1 12 12 LYS H H 1 7.978 0.000 . 1 . . . . . 12 K H . 52788 1
33 . 1 . 1 12 12 LYS CA C 13 54.108 0.000 . 1 . . . . . 12 K CA . 52788 1
34 . 1 . 1 12 12 LYS N N 15 124.653 0.000 . 1 . . . . . 12 K N . 52788 1
35 . 1 . 1 13 13 PRO CA C 13 63.539 0.000 . 1 . . . . . 13 P CA . 52788 1
36 . 1 . 1 13 13 PRO CB C 13 32.361 0.000 . 1 . . . . . 13 P CB . 52788 1
37 . 1 . 1 14 14 GLY H H 1 7.827 0.000 . 1 . . . . . 14 G H . 52788 1
38 . 1 . 1 14 14 GLY CA C 13 44.440 0.000 . 1 . . . . . 14 G CA . 52788 1
39 . 1 . 1 14 14 GLY N N 15 108.382 0.000 . 1 . . . . . 14 G N . 52788 1
40 . 1 . 1 15 15 ARG H H 1 8.415 0.000 . 1 . . . . . 15 R H . 52788 1
41 . 1 . 1 15 15 ARG CA C 13 54.795 0.000 . 1 . . . . . 15 R CA . 52788 1
42 . 1 . 1 15 15 ARG CB C 13 33.748 0.000 . 1 . . . . . 15 R CB . 52788 1
43 . 1 . 1 15 15 ARG N N 15 116.837 0.000 . 1 . . . . . 15 R N . 52788 1
44 . 1 . 1 16 16 VAL H H 1 8.272 0.000 . 1 . . . . . 16 V H . 52788 1
45 . 1 . 1 16 16 VAL CA C 13 62.711 0.000 . 1 . . . . . 16 V CA . 52788 1
46 . 1 . 1 16 16 VAL CB C 13 32.633 0.000 . 1 . . . . . 16 V CB . 52788 1
47 . 1 . 1 16 16 VAL N N 15 116.695 0.000 . 1 . . . . . 16 V N . 52788 1
48 . 1 . 1 17 17 THR H H 1 6.503 0.000 . 1 . . . . . 17 T H . 52788 1
49 . 1 . 1 17 17 THR CA C 13 57.728 0.000 . 1 . . . . . 17 T CA . 52788 1
50 . 1 . 1 17 17 THR CB C 13 72.742 0.000 . 1 . . . . . 17 T CB . 52788 1
51 . 1 . 1 17 17 THR N N 15 113.525 0.000 . 1 . . . . . 17 T N . 52788 1
52 . 1 . 1 18 18 ASN H H 1 9.355 0.000 . 1 . . . . . 18 N H . 52788 1
53 . 1 . 1 18 18 ASN CA C 13 56.584 0.000 . 1 . . . . . 18 N CA . 52788 1
54 . 1 . 1 18 18 ASN CB C 13 35.477 0.000 . 1 . . . . . 18 N CB . 52788 1
55 . 1 . 1 18 18 ASN N N 15 121.434 0.000 . 1 . . . . . 18 N N . 52788 1
56 . 1 . 1 19 19 GLN H H 1 7.945 0.000 . 1 . . . . . 19 Q H . 52788 1
57 . 1 . 1 19 19 GLN CA C 13 59.842 0.000 . 1 . . . . . 19 Q CA . 52788 1
58 . 1 . 1 19 19 GLN CB C 13 29.830 0.000 . 1 . . . . . 19 Q CB . 52788 1
59 . 1 . 1 19 19 GLN N N 15 123.450 0.000 . 1 . . . . . 19 Q N . 52788 1
60 . 1 . 1 20 20 LEU H H 1 8.044 0.000 . 1 . . . . . 20 L H . 52788 1
61 . 1 . 1 20 20 LEU CA C 13 59.182 0.000 . 1 . . . . . 20 L CA . 52788 1
62 . 1 . 1 20 20 LEU CB C 13 42.669 0.000 . 1 . . . . . 20 L CB . 52788 1
63 . 1 . 1 20 20 LEU N N 15 121.594 0.000 . 1 . . . . . 20 L N . 52788 1
64 . 1 . 1 21 21 GLN H H 1 8.791 0.000 . 1 . . . . . 21 Q H . 52788 1
65 . 1 . 1 21 21 GLN CA C 13 59.575 0.000 . 1 . . . . . 21 Q CA . 52788 1
66 . 1 . 1 21 21 GLN CB C 13 29.426 0.000 . 1 . . . . . 21 Q CB . 52788 1
67 . 1 . 1 21 21 GLN N N 15 118.788 0.000 . 1 . . . . . 21 Q N . 52788 1
68 . 1 . 1 22 22 TYR H H 1 7.781 0.000 . 1 . . . . . 22 Y H . 52788 1
69 . 1 . 1 22 22 TYR CA C 13 62.074 0.000 . 1 . . . . . 22 Y CA . 52788 1
70 . 1 . 1 22 22 TYR CB C 13 38.863 0.000 . 1 . . . . . 22 Y CB . 52788 1
71 . 1 . 1 22 22 TYR N N 15 121.338 0.000 . 1 . . . . . 22 Y N . 52788 1
72 . 1 . 1 23 23 LEU H H 1 8.739 0.000 . 1 . . . . . 23 L H . 52788 1
73 . 1 . 1 23 23 LEU CA C 13 58.451 0.000 . 1 . . . . . 23 L CA . 52788 1
74 . 1 . 1 23 23 LEU CB C 13 41.908 0.000 . 1 . . . . . 23 L CB . 52788 1
75 . 1 . 1 23 23 LEU N N 15 121.442 0.000 . 1 . . . . . 23 L N . 52788 1
76 . 1 . 1 24 24 HIS H H 1 8.256 0.000 . 1 . . . . . 24 H H . 52788 1
77 . 1 . 1 24 24 HIS CA C 13 58.342 0.000 . 1 . . . . . 24 H CA . 52788 1
78 . 1 . 1 24 24 HIS CB C 13 33.502 0.000 . 1 . . . . . 24 H CB . 52788 1
79 . 1 . 1 24 24 HIS N N 15 117.810 0.000 . 1 . . . . . 24 H N . 52788 1
80 . 1 . 1 25 25 LYS H H 1 9.059 0.000 . 1 . . . . . 25 K H . 52788 1
81 . 1 . 1 25 25 LYS CA C 13 57.943 0.000 . 1 . . . . . 25 K CA . 52788 1
82 . 1 . 1 25 25 LYS CB C 13 32.806 0.000 . 1 . . . . . 25 K CB . 52788 1
83 . 1 . 1 25 25 LYS N N 15 114.608 0.000 . 1 . . . . . 25 K N . 52788 1
84 . 1 . 1 26 26 VAL H H 1 7.898 0.000 . 1 . . . . . 26 V H . 52788 1
85 . 1 . 1 26 26 VAL CA C 13 64.108 0.000 . 1 . . . . . 26 V CA . 52788 1
86 . 1 . 1 26 26 VAL CB C 13 31.921 0.000 . 1 . . . . . 26 V CB . 52788 1
87 . 1 . 1 26 26 VAL N N 15 115.519 0.000 . 1 . . . . . 26 V N . 52788 1
88 . 1 . 1 27 27 VAL H H 1 7.360 0.000 . 1 . . . . . 27 V H . 52788 1
89 . 1 . 1 27 27 VAL CA C 13 68.122 0.000 . 1 . . . . . 27 V CA . 52788 1
90 . 1 . 1 27 27 VAL CB C 13 30.647 0.000 . 1 . . . . . 27 V CB . 52788 1
91 . 1 . 1 27 27 VAL N N 15 119.365 0.000 . 1 . . . . . 27 V N . 52788 1
92 . 1 . 1 28 28 MET H H 1 9.221 0.000 . 1 . . . . . 28 M H . 52788 1
93 . 1 . 1 28 28 MET CA C 13 57.790 0.000 . 1 . . . . . 28 M CA . 52788 1
94 . 1 . 1 28 28 MET CB C 13 31.012 0.000 . 1 . . . . . 28 M CB . 52788 1
95 . 1 . 1 28 28 MET N N 15 117.462 0.000 . 1 . . . . . 28 M N . 52788 1
96 . 1 . 1 29 29 LYS H H 1 6.117 0.000 . 1 . . . . . 29 K H . 52788 1
97 . 1 . 1 29 29 LYS CA C 13 59.216 0.000 . 1 . . . . . 29 K CA . 52788 1
98 . 1 . 1 29 29 LYS CB C 13 32.716 0.000 . 1 . . . . . 29 K CB . 52788 1
99 . 1 . 1 29 29 LYS N N 15 115.373 0.000 . 1 . . . . . 29 K N . 52788 1
100 . 1 . 1 30 30 ALA H H 1 7.036 0.000 . 1 . . . . . 30 A H . 52788 1
101 . 1 . 1 30 30 ALA CA C 13 54.529 0.000 . 1 . . . . . 30 A CA . 52788 1
102 . 1 . 1 30 30 ALA CB C 13 18.328 0.000 . 1 . . . . . 30 A CB . 52788 1
103 . 1 . 1 30 30 ALA N N 15 118.047 0.000 . 1 . . . . . 30 A N . 52788 1
104 . 1 . 1 31 31 LEU H H 1 8.140 0.000 . 1 . . . . . 31 L H . 52788 1
105 . 1 . 1 31 31 LEU CA C 13 57.857 0.000 . 1 . . . . . 31 L CA . 52788 1
106 . 1 . 1 31 31 LEU CB C 13 42.541 0.000 . 1 . . . . . 31 L CB . 52788 1
107 . 1 . 1 31 31 LEU N N 15 116.550 0.000 . 1 . . . . . 31 L N . 52788 1
108 . 1 . 1 32 32 TRP H H 1 8.903 0.000 . 1 . . . . . 32 W H . 52788 1
109 . 1 . 1 32 32 TRP CA C 13 60.909 0.000 . 1 . . . . . 32 W CA . 52788 1
110 . 1 . 1 32 32 TRP CB C 13 29.151 0.000 . 1 . . . . . 32 W CB . 52788 1
111 . 1 . 1 32 32 TRP N N 15 116.771 0.000 . 1 . . . . . 32 W N . 52788 1
112 . 1 . 1 33 33 LYS H H 1 7.110 0.000 . 1 . . . . . 33 K H . 52788 1
113 . 1 . 1 33 33 LYS CA C 13 55.716 0.000 . 1 . . . . . 33 K CA . 52788 1
114 . 1 . 1 33 33 LYS CB C 13 32.726 0.000 . 1 . . . . . 33 K CB . 52788 1
115 . 1 . 1 33 33 LYS N N 15 110.417 0.000 . 1 . . . . . 33 K N . 52788 1
116 . 1 . 1 34 34 HIS H H 1 7.613 0.000 . 1 . . . . . 34 H H . 52788 1
117 . 1 . 1 34 34 HIS CA C 13 59.641 0.000 . 1 . . . . . 34 H CA . 52788 1
118 . 1 . 1 34 34 HIS CB C 13 31.938 0.000 . 1 . . . . . 34 H CB . 52788 1
119 . 1 . 1 34 34 HIS N N 15 123.454 0.000 . 1 . . . . . 34 H N . 52788 1
120 . 1 . 1 35 35 GLN H H 1 8.352 0.000 . 1 . . . . . 35 Q H . 52788 1
121 . 1 . 1 35 35 GLN CA C 13 58.765 0.000 . 1 . . . . . 35 Q CA . 52788 1
122 . 1 . 1 35 35 GLN CB C 13 28.054 0.000 . 1 . . . . . 35 Q CB . 52788 1
123 . 1 . 1 35 35 GLN N N 15 128.054 0.000 . 1 . . . . . 35 Q N . 52788 1
124 . 1 . 1 36 36 PHE CA C 13 53.051 0.000 . 1 . . . . . 36 F CA . 52788 1
125 . 1 . 1 36 36 PHE CB C 13 37.365 0.000 . 1 . . . . . 36 F CB . 52788 1
126 . 1 . 1 37 37 ALA H H 1 7.795 0.000 . 1 . . . . . 37 A H . 52788 1
127 . 1 . 1 37 37 ALA CA C 13 54.359 0.000 . 1 . . . . . 37 A CA . 52788 1
128 . 1 . 1 37 37 ALA CB C 13 20.563 0.000 . 1 . . . . . 37 A CB . 52788 1
129 . 1 . 1 37 37 ALA N N 15 117.219 0.000 . 1 . . . . . 37 A N . 52788 1
130 . 1 . 1 38 38 TRP H H 1 6.810 0.000 . 1 . . . . . 38 W H . 52788 1
131 . 1 . 1 38 38 TRP CA C 13 59.064 0.000 . 1 . . . . . 38 W CA . 52788 1
132 . 1 . 1 38 38 TRP CB C 13 27.294 0.000 . 1 . . . . . 38 W CB . 52788 1
133 . 1 . 1 38 38 TRP N N 15 114.884 0.000 . 1 . . . . . 38 W N . 52788 1
134 . 1 . 1 39 39 PRO CA C 13 64.558 0.000 . 1 . . . . . 39 P CA . 52788 1
135 . 1 . 1 39 39 PRO CB C 13 30.430 0.000 . 1 . . . . . 39 P CB . 52788 1
136 . 1 . 1 40 40 PHE H H 1 7.907 0.000 . 1 . . . . . 40 F H . 52788 1
137 . 1 . 1 40 40 PHE CA C 13 56.716 0.000 . 1 . . . . . 40 F CA . 52788 1
138 . 1 . 1 40 40 PHE CB C 13 39.104 0.000 . 1 . . . . . 40 F CB . 52788 1
139 . 1 . 1 40 40 PHE N N 15 112.194 0.000 . 1 . . . . . 40 F N . 52788 1
140 . 1 . 1 41 41 TYR H H 1 7.070 0.000 . 1 . . . . . 41 Y H . 52788 1
141 . 1 . 1 41 41 TYR CA C 13 57.229 0.000 . 1 . . . . . 41 Y CA . 52788 1
142 . 1 . 1 41 41 TYR CB C 13 37.875 0.000 . 1 . . . . . 41 Y CB . 52788 1
143 . 1 . 1 41 41 TYR N N 15 118.054 0.000 . 1 . . . . . 41 Y N . 52788 1
144 . 1 . 1 42 42 GLN H H 1 7.409 0.000 . 1 . . . . . 42 Q H . 52788 1
145 . 1 . 1 42 42 GLN CA C 13 52.797 0.000 . 1 . . . . . 42 Q CA . 52788 1
146 . 1 . 1 42 42 GLN CB C 13 29.713 0.000 . 1 . . . . . 42 Q CB . 52788 1
147 . 1 . 1 42 42 GLN N N 15 112.779 0.000 . 1 . . . . . 42 Q N . 52788 1
148 . 1 . 1 43 43 PRO CA C 13 62.733 0.000 . 1 . . . . . 43 P CA . 52788 1
149 . 1 . 1 43 43 PRO CB C 13 32.346 0.000 . 1 . . . . . 43 P CB . 52788 1
150 . 1 . 1 44 44 VAL H H 1 8.533 0.000 . 1 . . . . . 44 V H . 52788 1
151 . 1 . 1 44 44 VAL CA C 13 64.525 0.000 . 1 . . . . . 44 V CA . 52788 1
152 . 1 . 1 44 44 VAL CB C 13 32.271 0.000 . 1 . . . . . 44 V CB . 52788 1
153 . 1 . 1 44 44 VAL N N 15 125.171 0.000 . 1 . . . . . 44 V N . 52788 1
154 . 1 . 1 45 45 ASP H H 1 7.871 0.000 . 1 . . . . . 45 D H . 52788 1
155 . 1 . 1 45 45 ASP CA C 13 52.024 0.000 . 1 . . . . . 45 D CA . 52788 1
156 . 1 . 1 45 45 ASP CB C 13 40.283 0.000 . 1 . . . . . 45 D CB . 52788 1
157 . 1 . 1 45 45 ASP N N 15 128.814 0.000 . 1 . . . . . 45 D N . 52788 1
158 . 1 . 1 46 46 ALA H H 1 8.589 0.000 . 1 . . . . . 46 A H . 52788 1
159 . 1 . 1 46 46 ALA CA C 13 54.601 0.000 . 1 . . . . . 46 A CA . 52788 1
160 . 1 . 1 46 46 ALA CB C 13 19.175 0.000 . 1 . . . . . 46 A CB . 52788 1
161 . 1 . 1 46 46 ALA N N 15 125.098 0.000 . 1 . . . . . 46 A N . 52788 1
162 . 1 . 1 47 47 ILE H H 1 7.851 0.000 . 1 . . . . . 47 I H . 52788 1
163 . 1 . 1 47 47 ILE CA C 13 63.169 0.000 . 1 . . . . . 47 I CA . 52788 1
164 . 1 . 1 47 47 ILE CB C 13 36.879 0.000 . 1 . . . . . 47 I CB . 52788 1
165 . 1 . 1 47 47 ILE N N 15 117.919 0.000 . 1 . . . . . 47 I N . 52788 1
166 . 1 . 1 48 48 LYS H H 1 7.787 0.000 . 1 . . . . . 48 K H . 52788 1
167 . 1 . 1 48 48 LYS CA C 13 58.900 0.000 . 1 . . . . . 48 K CA . 52788 1
168 . 1 . 1 48 48 LYS CB C 13 32.709 0.000 . 1 . . . . . 48 K CB . 52788 1
169 . 1 . 1 48 48 LYS N N 15 122.956 0.000 . 1 . . . . . 48 K N . 52788 1
170 . 1 . 1 49 49 LEU H H 1 7.768 0.000 . 1 . . . . . 49 L H . 52788 1
171 . 1 . 1 49 49 LEU CA C 13 54.799 0.000 . 1 . . . . . 49 L CA . 52788 1
172 . 1 . 1 49 49 LEU CB C 13 42.119 0.000 . 1 . . . . . 49 L CB . 52788 1
173 . 1 . 1 49 49 LEU N N 15 114.375 0.000 . 1 . . . . . 49 L N . 52788 1
174 . 1 . 1 50 50 ASN H H 1 7.404 0.000 . 1 . . . . . 50 N H . 52788 1
175 . 1 . 1 50 50 ASN CA C 13 53.816 0.000 . 1 . . . . . 50 N CA . 52788 1
176 . 1 . 1 50 50 ASN CB C 13 36.779 0.000 . 1 . . . . . 50 N CB . 52788 1
177 . 1 . 1 50 50 ASN N N 15 116.491 0.000 . 1 . . . . . 50 N N . 52788 1
178 . 1 . 1 51 51 LEU H H 1 8.226 0.000 . 1 . . . . . 51 L H . 52788 1
179 . 1 . 1 51 51 LEU CA C 13 51.331 0.000 . 1 . . . . . 51 L CA . 52788 1
180 . 1 . 1 51 51 LEU CB C 13 41.908 0.000 . 1 . . . . . 51 L CB . 52788 1
181 . 1 . 1 51 51 LEU N N 15 118.606 0.000 . 1 . . . . . 51 L N . 52788 1
182 . 1 . 1 52 52 PRO CA C 13 59.178 0.000 . 1 . . . . . 52 P CA . 52788 1
183 . 1 . 1 52 52 PRO CB C 13 29.618 0.000 . 1 . . . . . 52 P CB . 52788 1
184 . 1 . 1 53 53 ASP H H 1 8.151 0.000 . 1 . . . . . 53 D H . 52788 1
185 . 1 . 1 53 53 ASP CA C 13 54.121 0.000 . 1 . . . . . 53 D CA . 52788 1
186 . 1 . 1 53 53 ASP CB C 13 40.470 0.000 . 1 . . . . . 53 D CB . 52788 1
187 . 1 . 1 53 53 ASP N N 15 120.321 0.000 . 1 . . . . . 53 D N . 52788 1
188 . 1 . 1 54 54 TYR H H 1 7.549 0.000 . 1 . . . . . 54 Y H . 52788 1
189 . 1 . 1 54 54 TYR CA C 13 63.838 0.000 . 1 . . . . . 54 Y CA . 52788 1
190 . 1 . 1 54 54 TYR CB C 13 39.348 0.000 . 1 . . . . . 54 Y CB . 52788 1
191 . 1 . 1 54 54 TYR N N 15 122.813 0.000 . 1 . . . . . 54 Y N . 52788 1
192 . 1 . 1 55 55 HIS H H 1 8.238 0.000 . 1 . . . . . 55 H H . 52788 1
193 . 1 . 1 55 55 HIS CA C 13 58.006 0.000 . 1 . . . . . 55 H CA . 52788 1
194 . 1 . 1 55 55 HIS CB C 13 29.216 0.000 . 1 . . . . . 55 H CB . 52788 1
195 . 1 . 1 55 55 HIS N N 15 112.474 0.000 . 1 . . . . . 55 H N . 52788 1
196 . 1 . 1 56 56 LYS H H 1 7.177 0.000 . 1 . . . . . 56 K H . 52788 1
197 . 1 . 1 56 56 LYS CA C 13 57.462 0.000 . 1 . . . . . 56 K CA . 52788 1
198 . 1 . 1 56 56 LYS CB C 13 32.716 0.000 . 1 . . . . . 56 K CB . 52788 1
199 . 1 . 1 56 56 LYS N N 15 117.923 0.000 . 1 . . . . . 56 K N . 52788 1
200 . 1 . 1 57 57 ILE H H 1 7.108 0.000 . 1 . . . . . 57 I H . 52788 1
201 . 1 . 1 57 57 ILE CA C 13 62.299 0.000 . 1 . . . . . 57 I CA . 52788 1
202 . 1 . 1 57 57 ILE CB C 13 39.838 0.000 . 1 . . . . . 57 I CB . 52788 1
203 . 1 . 1 57 57 ILE N N 15 118.851 0.000 . 1 . . . . . 57 I N . 52788 1
204 . 1 . 1 58 58 ILE H H 1 8.231 0.000 . 1 . . . . . 58 I H . 52788 1
205 . 1 . 1 58 58 ILE CA C 13 57.342 0.000 . 1 . . . . . 58 I CA . 52788 1
206 . 1 . 1 58 58 ILE CB C 13 34.175 0.000 . 1 . . . . . 58 I CB . 52788 1
207 . 1 . 1 58 58 ILE N N 15 121.625 0.000 . 1 . . . . . 58 I N . 52788 1
208 . 1 . 1 59 59 LYS H H 1 7.769 0.000 . 1 . . . . . 59 K H . 52788 1
209 . 1 . 1 59 59 LYS CA C 13 56.844 0.000 . 1 . . . . . 59 K CA . 52788 1
210 . 1 . 1 59 59 LYS CB C 13 32.755 0.000 . 1 . . . . . 59 K CB . 52788 1
211 . 1 . 1 59 59 LYS N N 15 124.535 0.000 . 1 . . . . . 59 K N . 52788 1
212 . 1 . 1 60 60 GLN H H 1 8.285 0.000 . 1 . . . . . 60 Q H . 52788 1
213 . 1 . 1 60 60 GLN CA C 13 52.271 0.000 . 1 . . . . . 60 Q CA . 52788 1
214 . 1 . 1 60 60 GLN CB C 13 29.608 0.000 . 1 . . . . . 60 Q CB . 52788 1
215 . 1 . 1 60 60 GLN N N 15 118.253 0.000 . 1 . . . . . 60 Q N . 52788 1
216 . 1 . 1 61 61 PRO CA C 13 63.018 0.000 . 1 . . . . . 61 P CA . 52788 1
217 . 1 . 1 61 61 PRO CB C 13 32.021 0.000 . 1 . . . . . 61 P CB . 52788 1
218 . 1 . 1 62 62 MET H H 1 7.995 0.000 . 1 . . . . . 62 M H . 52788 1
219 . 1 . 1 62 62 MET CA C 13 54.160 0.000 . 1 . . . . . 62 M CA . 52788 1
220 . 1 . 1 62 62 MET CB C 13 31.924 0.000 . 1 . . . . . 62 M CB . 52788 1
221 . 1 . 1 62 62 MET N N 15 119.336 0.000 . 1 . . . . . 62 M N . 52788 1
222 . 1 . 1 63 63 ASP H H 1 7.234 0.000 . 1 . . . . . 63 D H . 52788 1
223 . 1 . 1 63 63 ASP CA C 13 53.046 0.000 . 1 . . . . . 63 D CA . 52788 1
224 . 1 . 1 63 63 ASP CB C 13 44.108 0.000 . 1 . . . . . 63 D CB . 52788 1
225 . 1 . 1 63 63 ASP N N 15 119.451 0.000 . 1 . . . . . 63 D N . 52788 1
226 . 1 . 1 64 64 MET H H 1 9.068 0.000 . 1 . . . . . 64 M H . 52788 1
227 . 1 . 1 64 64 MET CA C 13 60.037 0.000 . 1 . . . . . 64 M CA . 52788 1
228 . 1 . 1 64 64 MET CB C 13 35.329 0.000 . 1 . . . . . 64 M CB . 52788 1
229 . 1 . 1 64 64 MET N N 15 120.175 0.000 . 1 . . . . . 64 M N . 52788 1
230 . 1 . 1 65 65 GLY H H 1 8.529 0.000 . 1 . . . . . 65 G H . 52788 1
231 . 1 . 1 65 65 GLY CA C 13 47.854 0.000 . 1 . . . . . 65 G CA . 52788 1
232 . 1 . 1 65 65 GLY N N 15 112.244 0.000 . 1 . . . . . 65 G N . 52788 1
233 . 1 . 1 66 66 THR H H 1 8.291 0.000 . 1 . . . . . 66 T H . 52788 1
234 . 1 . 1 66 66 THR CA C 13 67.398 0.000 . 1 . . . . . 66 T CA . 52788 1
235 . 1 . 1 66 66 THR N N 15 123.599 0.000 . 1 . . . . . 66 T N . 52788 1
236 . 1 . 1 67 67 ILE H H 1 7.150 0.000 . 1 . . . . . 67 I H . 52788 1
237 . 1 . 1 67 67 ILE CA C 13 65.829 0.000 . 1 . . . . . 67 I CA . 52788 1
238 . 1 . 1 67 67 ILE CB C 13 38.696 0.000 . 1 . . . . . 67 I CB . 52788 1
239 . 1 . 1 67 67 ILE N N 15 121.157 0.000 . 1 . . . . . 67 I N . 52788 1
240 . 1 . 1 68 68 LYS H H 1 8.566 0.000 . 1 . . . . . 68 K H . 52788 1
241 . 1 . 1 68 68 LYS CA C 13 61.078 0.000 . 1 . . . . . 68 K CA . 52788 1
242 . 1 . 1 68 68 LYS CB C 13 32.758 0.000 . 1 . . . . . 68 K CB . 52788 1
243 . 1 . 1 68 68 LYS N N 15 120.033 0.000 . 1 . . . . . 68 K N . 52788 1
244 . 1 . 1 69 69 ARG H H 1 7.917 0.000 . 1 . . . . . 69 R H . 52788 1
245 . 1 . 1 69 69 ARG CA C 13 59.230 0.000 . 1 . . . . . 69 R CA . 52788 1
246 . 1 . 1 69 69 ARG CB C 13 29.675 0.000 . 1 . . . . . 69 R CB . 52788 1
247 . 1 . 1 69 69 ARG N N 15 117.891 0.000 . 1 . . . . . 69 R N . 52788 1
248 . 1 . 1 70 70 ARG CA C 13 60.193 0.000 . 1 . . . . . 70 R CA . 52788 1
249 . 1 . 1 70 70 ARG CB C 13 29.675 0.000 . 1 . . . . . 70 R CB . 52788 1
250 . 1 . 1 71 71 LEU H H 1 8.503 0.000 . 1 . . . . . 71 L H . 52788 1
251 . 1 . 1 71 71 LEU CA C 13 58.229 0.000 . 1 . . . . . 71 L CA . 52788 1
252 . 1 . 1 71 71 LEU CB C 13 41.649 0.000 . 1 . . . . . 71 L CB . 52788 1
253 . 1 . 1 71 71 LEU N N 15 120.506 0.000 . 1 . . . . . 71 L N . 52788 1
254 . 1 . 1 72 72 GLU H H 1 8.285 0.000 . 1 . . . . . 72 E H . 52788 1
255 . 1 . 1 72 72 GLU CA C 13 58.726 0.000 . 1 . . . . . 72 E CA . 52788 1
256 . 1 . 1 72 72 GLU CB C 13 29.680 0.000 . 1 . . . . . 72 E CB . 52788 1
257 . 1 . 1 72 72 GLU N N 15 118.524 0.000 . 1 . . . . . 72 E N . 52788 1
258 . 1 . 1 73 73 ASN H H 1 7.705 0.000 . 1 . . . . . 73 N H . 52788 1
259 . 1 . 1 73 73 ASN CA C 13 52.677 0.000 . 1 . . . . . 73 N CA . 52788 1
260 . 1 . 1 73 73 ASN CB C 13 38.854 0.000 . 1 . . . . . 73 N CB . 52788 1
261 . 1 . 1 73 73 ASN N N 15 114.468 0.000 . 1 . . . . . 73 N N . 52788 1
262 . 1 . 1 74 74 ASN H H 1 7.647 0.000 . 1 . . . . . 74 N H . 52788 1
263 . 1 . 1 74 74 ASN CA C 13 54.289 0.000 . 1 . . . . . 74 N CA . 52788 1
264 . 1 . 1 74 74 ASN CB C 13 35.847 0.000 . 1 . . . . . 74 N CB . 52788 1
265 . 1 . 1 74 74 ASN N N 15 116.285 0.000 . 1 . . . . . 74 N N . 52788 1
266 . 1 . 1 75 75 TYR H H 1 8.394 0.000 . 1 . . . . . 75 Y H . 52788 1
267 . 1 . 1 75 75 TYR CA C 13 60.327 0.000 . 1 . . . . . 75 Y CA . 52788 1
268 . 1 . 1 75 75 TYR CB C 13 40.852 0.000 . 1 . . . . . 75 Y CB . 52788 1
269 . 1 . 1 75 75 TYR N N 15 115.743 0.000 . 1 . . . . . 75 Y N . 52788 1
270 . 1 . 1 76 76 TYR H H 1 7.943 0.000 . 1 . . . . . 76 Y H . 52788 1
271 . 1 . 1 76 76 TYR CA C 13 57.533 0.000 . 1 . . . . . 76 Y CA . 52788 1
272 . 1 . 1 76 76 TYR CB C 13 38.953 0.000 . 1 . . . . . 76 Y CB . 52788 1
273 . 1 . 1 76 76 TYR N N 15 115.394 0.000 . 1 . . . . . 76 Y N . 52788 1
274 . 1 . 1 77 77 TRP H H 1 9.534 0.000 . 1 . . . . . 77 W H . 52788 1
275 . 1 . 1 77 77 TRP CA C 13 58.543 0.000 . 1 . . . . . 77 W CA . 52788 1
276 . 1 . 1 77 77 TRP CB C 13 30.698 0.000 . 1 . . . . . 77 W CB . 52788 1
277 . 1 . 1 77 77 TRP N N 15 121.808 0.000 . 1 . . . . . 77 W N . 52788 1
278 . 1 . 1 78 78 ALA H H 1 7.587 0.000 . 1 . . . . . 78 A H . 52788 1
279 . 1 . 1 78 78 ALA CA C 13 50.085 0.000 . 1 . . . . . 78 A CA . 52788 1
280 . 1 . 1 78 78 ALA CB C 13 23.344 0.000 . 1 . . . . . 78 A CB . 52788 1
281 . 1 . 1 78 78 ALA N N 15 117.249 0.000 . 1 . . . . . 78 A N . 52788 1
282 . 1 . 1 79 79 ALA CA C 13 55.408 0.000 . 1 . . . . . 79 A CA . 52788 1
283 . 1 . 1 79 79 ALA CB C 13 19.250 0.000 . 1 . . . . . 79 A CB . 52788 1
284 . 1 . 1 80 80 SER H H 1 9.362 0.000 . 1 . . . . . 80 S H . 52788 1
285 . 1 . 1 80 80 SER CA C 13 61.488 0.000 . 1 . . . . . 80 S CA . 52788 1
286 . 1 . 1 80 80 SER N N 15 114.597 0.000 . 1 . . . . . 80 S N . 52788 1
287 . 1 . 1 81 81 GLU H H 1 7.532 0.000 . 1 . . . . . 81 E H . 52788 1
288 . 1 . 1 81 81 GLU CA C 13 58.667 0.000 . 1 . . . . . 81 E CA . 52788 1
289 . 1 . 1 81 81 GLU CB C 13 31.991 0.000 . 1 . . . . . 81 E CB . 52788 1
290 . 1 . 1 81 81 GLU N N 15 122.089 0.000 . 1 . . . . . 81 E N . 52788 1
291 . 1 . 1 82 82 CYS H H 1 6.562 0.000 . 1 . . . . . 82 C H . 52788 1
292 . 1 . 1 82 82 CYS CA C 13 61.719 0.000 . 1 . . . . . 82 C CA . 52788 1
293 . 1 . 1 82 82 CYS CB C 13 26.064 0.000 . 1 . . . . . 82 C CB . 52788 1
294 . 1 . 1 82 82 CYS N N 15 120.685 0.000 . 1 . . . . . 82 C N . 52788 1
295 . 1 . 1 83 83 MET H H 1 8.582 0.000 . 1 . . . . . 83 M H . 52788 1
296 . 1 . 1 83 83 MET CA C 13 59.650 0.000 . 1 . . . . . 83 M CA . 52788 1
297 . 1 . 1 83 83 MET CB C 13 31.696 0.000 . 1 . . . . . 83 M CB . 52788 1
298 . 1 . 1 83 83 MET N N 15 117.392 0.000 . 1 . . . . . 83 M N . 52788 1
299 . 1 . 1 84 84 GLN H H 1 7.885 0.000 . 1 . . . . . 84 Q H . 52788 1
300 . 1 . 1 84 84 GLN CA C 13 58.961 0.000 . 1 . . . . . 84 Q CA . 52788 1
301 . 1 . 1 84 84 GLN CB C 13 28.082 0.000 . 1 . . . . . 84 Q CB . 52788 1
302 . 1 . 1 84 84 GLN N N 15 118.503 0.000 . 1 . . . . . 84 Q N . 52788 1
303 . 1 . 1 85 85 ASP H H 1 7.387 0.000 . 1 . . . . . 85 D H . 52788 1
304 . 1 . 1 85 85 ASP CA C 13 58.625 0.000 . 1 . . . . . 85 D CA . 52788 1
305 . 1 . 1 85 85 ASP CB C 13 39.642 0.000 . 1 . . . . . 85 D CB . 52788 1
306 . 1 . 1 85 85 ASP N N 15 121.908 0.000 . 1 . . . . . 85 D N . 52788 1
307 . 1 . 1 86 86 PHE H H 1 8.037 0.000 . 1 . . . . . 86 F H . 52788 1
308 . 1 . 1 86 86 PHE CA C 13 63.474 0.000 . 1 . . . . . 86 F CA . 52788 1
309 . 1 . 1 86 86 PHE CB C 13 39.321 0.000 . 1 . . . . . 86 F CB . 52788 1
310 . 1 . 1 86 86 PHE N N 15 119.091 0.000 . 1 . . . . . 86 F N . 52788 1
311 . 1 . 1 87 87 ASN H H 1 8.152 0.000 . 1 . . . . . 87 N H . 52788 1
312 . 1 . 1 87 87 ASN CA C 13 57.390 0.000 . 1 . . . . . 87 N CA . 52788 1
313 . 1 . 1 87 87 ASN CB C 13 38.807 0.000 . 1 . . . . . 87 N CB . 52788 1
314 . 1 . 1 87 87 ASN N N 15 115.509 0.000 . 1 . . . . . 87 N N . 52788 1
315 . 1 . 1 88 88 THR H H 1 9.011 0.000 . 1 . . . . . 88 T H . 52788 1
316 . 1 . 1 88 88 THR CA C 13 66.605 0.000 . 1 . . . . . 88 T CA . 52788 1
317 . 1 . 1 88 88 THR CB C 13 68.814 0.000 . 1 . . . . . 88 T CB . 52788 1
318 . 1 . 1 88 88 THR N N 15 121.228 0.000 . 1 . . . . . 88 T N . 52788 1
319 . 1 . 1 89 89 MET H H 1 7.601 0.000 . 1 . . . . . 89 M H . 52788 1
320 . 1 . 1 89 89 MET CA C 13 60.138 0.000 . 1 . . . . . 89 M CA . 52788 1
321 . 1 . 1 89 89 MET CB C 13 33.886 0.000 . 1 . . . . . 89 M CB . 52788 1
322 . 1 . 1 89 89 MET N N 15 120.066 0.000 . 1 . . . . . 89 M N . 52788 1
323 . 1 . 1 90 90 PHE H H 1 7.691 0.000 . 1 . . . . . 90 F H . 52788 1
324 . 1 . 1 90 90 PHE CA C 13 61.229 0.000 . 1 . . . . . 90 F CA . 52788 1
325 . 1 . 1 90 90 PHE CB C 13 38.094 0.000 . 1 . . . . . 90 F CB . 52788 1
326 . 1 . 1 90 90 PHE N N 15 116.140 0.000 . 1 . . . . . 90 F N . 52788 1
327 . 1 . 1 91 91 THR H H 1 8.506 0.000 . 1 . . . . . 91 T H . 52788 1
328 . 1 . 1 91 91 THR CA C 13 66.943 0.000 . 1 . . . . . 91 T CA . 52788 1
329 . 1 . 1 91 91 THR CB C 13 68.979 0.000 . 1 . . . . . 91 T CB . 52788 1
330 . 1 . 1 91 91 THR N N 15 111.975 0.000 . 1 . . . . . 91 T N . 52788 1
331 . 1 . 1 92 92 ASN H H 1 8.651 0.000 . 1 . . . . . 92 N H . 52788 1
332 . 1 . 1 92 92 ASN CA C 13 55.150 0.000 . 1 . . . . . 92 N CA . 52788 1
333 . 1 . 1 92 92 ASN CB C 13 38.035 0.000 . 1 . . . . . 92 N CB . 52788 1
334 . 1 . 1 92 92 ASN N N 15 119.425 0.000 . 1 . . . . . 92 N N . 52788 1
335 . 1 . 1 93 93 CYS H H 1 6.854 0.000 . 1 . . . . . 93 C H . 52788 1
336 . 1 . 1 93 93 CYS CA C 13 62.228 0.000 . 1 . . . . . 93 C CA . 52788 1
337 . 1 . 1 93 93 CYS CB C 13 25.936 0.000 . 1 . . . . . 93 C CB . 52788 1
338 . 1 . 1 93 93 CYS N N 15 117.742 0.000 . 1 . . . . . 93 C N . 52788 1
339 . 1 . 1 94 94 TYR H H 1 7.376 0.000 . 1 . . . . . 94 Y H . 52788 1
340 . 1 . 1 94 94 TYR CA C 13 56.605 0.000 . 1 . . . . . 94 Y CA . 52788 1
341 . 1 . 1 94 94 TYR CB C 13 36.240 0.000 . 1 . . . . . 94 Y CB . 52788 1
342 . 1 . 1 94 94 TYR N N 15 118.155 0.000 . 1 . . . . . 94 Y N . 52788 1
343 . 1 . 1 95 95 ILE H H 1 8.542 0.000 . 1 . . . . . 95 I H . 52788 1
344 . 1 . 1 95 95 ILE CA C 13 63.709 0.000 . 1 . . . . . 95 I CA . 52788 1
345 . 1 . 1 95 95 ILE CB C 13 38.754 0.000 . 1 . . . . . 95 I CB . 52788 1
346 . 1 . 1 95 95 ILE N N 15 116.771 0.000 . 1 . . . . . 95 I N . 52788 1
347 . 1 . 1 96 96 TYR H H 1 7.881 0.000 . 1 . . . . . 96 Y H . 52788 1
348 . 1 . 1 96 96 TYR CA C 13 61.919 0.000 . 1 . . . . . 96 Y CA . 52788 1
349 . 1 . 1 96 96 TYR CB C 13 40.812 0.000 . 1 . . . . . 96 Y CB . 52788 1
350 . 1 . 1 96 96 TYR N N 15 118.158 0.000 . 1 . . . . . 96 Y N . 52788 1
351 . 1 . 1 97 97 ASN H H 1 7.544 0.000 . 1 . . . . . 97 N H . 52788 1
352 . 1 . 1 97 97 ASN CA C 13 53.711 0.000 . 1 . . . . . 97 N CA . 52788 1
353 . 1 . 1 97 97 ASN CB C 13 41.339 0.000 . 1 . . . . . 97 N CB . 52788 1
354 . 1 . 1 97 97 ASN N N 15 114.046 0.000 . 1 . . . . . 97 N N . 52788 1
355 . 1 . 1 98 98 LYS H H 1 8.475 0.000 . 1 . . . . . 98 K H . 52788 1
356 . 1 . 1 98 98 LYS CA C 13 54.704 0.000 . 1 . . . . . 98 K CA . 52788 1
357 . 1 . 1 98 98 LYS CB C 13 31.695 0.000 . 1 . . . . . 98 K CB . 52788 1
358 . 1 . 1 98 98 LYS N N 15 120.545 0.000 . 1 . . . . . 98 K N . 52788 1
359 . 1 . 1 99 99 PRO CA C 13 65.068 0.000 . 1 . . . . . 99 P CA . 52788 1
360 . 1 . 1 99 99 PRO CB C 13 32.225 0.000 . 1 . . . . . 99 P CB . 52788 1
361 . 1 . 1 100 100 THR H H 1 6.694 0.000 . 1 . . . . . 100 T H . 52788 1
362 . 1 . 1 100 100 THR CA C 13 60.409 0.000 . 1 . . . . . 100 T CA . 52788 1
363 . 1 . 1 100 100 THR CB C 13 69.031 0.000 . 1 . . . . . 100 T CB . 52788 1
364 . 1 . 1 100 100 THR N N 15 125.761 0.000 . 1 . . . . . 100 T N . 52788 1
365 . 1 . 1 101 101 ASP H H 1 7.828 0.000 . 1 . . . . . 101 D H . 52788 1
366 . 1 . 1 101 101 ASP CA C 13 55.123 0.000 . 1 . . . . . 101 D CA . 52788 1
367 . 1 . 1 101 101 ASP CB C 13 41.383 0.000 . 1 . . . . . 101 D CB . 52788 1
368 . 1 . 1 101 101 ASP N N 15 124.196 0.000 . 1 . . . . . 101 D N . 52788 1
369 . 1 . 1 102 102 ASP H H 1 8.823 0.000 . 1 . . . . . 102 D H . 52788 1
370 . 1 . 1 102 102 ASP CA C 13 57.808 0.000 . 1 . . . . . 102 D CA . 52788 1
371 . 1 . 1 102 102 ASP CB C 13 40.011 0.000 . 1 . . . . . 102 D CB . 52788 1
372 . 1 . 1 102 102 ASP N N 15 124.583 0.000 . 1 . . . . . 102 D N . 52788 1
373 . 1 . 1 103 103 ILE H H 1 8.589 0.000 . 1 . . . . . 103 I H . 52788 1
374 . 1 . 1 103 103 ILE CA C 13 63.095 0.000 . 1 . . . . . 103 I CA . 52788 1
375 . 1 . 1 103 103 ILE CB C 13 37.597 0.000 . 1 . . . . . 103 I CB . 52788 1
376 . 1 . 1 103 103 ILE N N 15 116.901 0.000 . 1 . . . . . 103 I N . 52788 1
377 . 1 . 1 104 104 VAL H H 1 6.963 0.000 . 1 . . . . . 104 V H . 52788 1
378 . 1 . 1 104 104 VAL CA C 13 67.166 0.000 . 1 . . . . . 104 V CA . 52788 1
379 . 1 . 1 104 104 VAL CB C 13 31.224 0.000 . 1 . . . . . 104 V CB . 52788 1
380 . 1 . 1 104 104 VAL N N 15 122.833 0.000 . 1 . . . . . 104 V N . 52788 1
381 . 1 . 1 105 105 LEU H H 1 7.054 0.000 . 1 . . . . . 105 L H . 52788 1
382 . 1 . 1 105 105 LEU CA C 13 58.002 0.000 . 1 . . . . . 105 L CA . 52788 1
383 . 1 . 1 105 105 LEU CB C 13 40.654 0.000 . 1 . . . . . 105 L CB . 52788 1
384 . 1 . 1 105 105 LEU N N 15 121.125 0.000 . 1 . . . . . 105 L N . 52788 1
385 . 1 . 1 106 106 MET H H 1 8.134 0.000 . 1 . . . . . 106 M H . 52788 1
386 . 1 . 1 106 106 MET CA C 13 60.289 0.000 . 1 . . . . . 106 M CA . 52788 1
387 . 1 . 1 106 106 MET CB C 13 33.551 0.000 . 1 . . . . . 106 M CB . 52788 1
388 . 1 . 1 106 106 MET N N 15 120.349 0.000 . 1 . . . . . 106 M N . 52788 1
389 . 1 . 1 107 107 ALA H H 1 8.596 0.000 . 1 . . . . . 107 A H . 52788 1
390 . 1 . 1 107 107 ALA CA C 13 56.084 0.000 . 1 . . . . . 107 A CA . 52788 1
391 . 1 . 1 107 107 ALA CB C 13 19.396 0.000 . 1 . . . . . 107 A CB . 52788 1
392 . 1 . 1 107 107 ALA N N 15 122.287 0.000 . 1 . . . . . 107 A N . 52788 1
393 . 1 . 1 108 108 GLN H H 1 8.933 0.000 . 1 . . . . . 108 Q H . 52788 1
394 . 1 . 1 108 108 GLN CA C 13 58.801 0.000 . 1 . . . . . 108 Q CA . 52788 1
395 . 1 . 1 108 108 GLN CB C 13 28.651 0.000 . 1 . . . . . 108 Q CB . 52788 1
396 . 1 . 1 108 108 GLN N N 15 115.829 0.000 . 1 . . . . . 108 Q N . 52788 1
397 . 1 . 1 109 109 THR H H 1 7.801 0.000 . 1 . . . . . 109 T H . 52788 1
398 . 1 . 1 109 109 THR CA C 13 67.299 0.000 . 1 . . . . . 109 T CA . 52788 1
399 . 1 . 1 109 109 THR CB C 13 68.927 0.000 . 1 . . . . . 109 T CB . 52788 1
400 . 1 . 1 109 109 THR N N 15 116.950 0.000 . 1 . . . . . 109 T N . 52788 1
401 . 1 . 1 110 110 LEU H H 1 7.844 0.000 . 1 . . . . . 110 L H . 52788 1
402 . 1 . 1 110 110 LEU CA C 13 57.729 0.000 . 1 . . . . . 110 L CA . 52788 1
403 . 1 . 1 110 110 LEU CB C 13 42.237 0.000 . 1 . . . . . 110 L CB . 52788 1
404 . 1 . 1 110 110 LEU N N 15 121.920 0.000 . 1 . . . . . 110 L N . 52788 1
405 . 1 . 1 111 111 GLU H H 1 8.884 0.000 . 1 . . . . . 111 E H . 52788 1
406 . 1 . 1 111 111 GLU CA C 13 59.269 0.000 . 1 . . . . . 111 E CA . 52788 1
407 . 1 . 1 111 111 GLU CB C 13 28.691 0.000 . 1 . . . . . 111 E CB . 52788 1
408 . 1 . 1 111 111 GLU N N 15 121.429 0.000 . 1 . . . . . 111 E N . 52788 1
409 . 1 . 1 112 112 LYS H H 1 7.472 0.000 . 1 . . . . . 112 K H . 52788 1
410 . 1 . 1 112 112 LYS CA C 13 59.865 0.000 . 1 . . . . . 112 K CA . 52788 1
411 . 1 . 1 112 112 LYS CB C 13 32.221 0.000 . 1 . . . . . 112 K CB . 52788 1
412 . 1 . 1 112 112 LYS N N 15 117.916 0.000 . 1 . . . . . 112 K N . 52788 1
413 . 1 . 1 113 113 ILE H H 1 7.272 0.000 . 1 . . . . . 113 I H . 52788 1
414 . 1 . 1 113 113 ILE CA C 13 64.773 0.000 . 1 . . . . . 113 I CA . 52788 1
415 . 1 . 1 113 113 ILE CB C 13 37.804 0.000 . 1 . . . . . 113 I CB . 52788 1
416 . 1 . 1 113 113 ILE N N 15 120.265 0.000 . 1 . . . . . 113 I N . 52788 1
417 . 1 . 1 114 114 PHE H H 1 8.622 0.000 . 1 . . . . . 114 F H . 52788 1
418 . 1 . 1 114 114 PHE CA C 13 61.811 0.000 . 1 . . . . . 114 F CA . 52788 1
419 . 1 . 1 114 114 PHE CB C 13 38.875 0.000 . 1 . . . . . 114 F CB . 52788 1
420 . 1 . 1 114 114 PHE N N 15 121.215 0.000 . 1 . . . . . 114 F N . 52788 1
421 . 1 . 1 115 115 LEU H H 1 8.642 0.000 . 1 . . . . . 115 L H . 52788 1
422 . 1 . 1 115 115 LEU CA C 13 57.576 0.000 . 1 . . . . . 115 L CA . 52788 1
423 . 1 . 1 115 115 LEU CB C 13 41.584 0.000 . 1 . . . . . 115 L CB . 52788 1
424 . 1 . 1 115 115 LEU N N 15 118.071 0.000 . 1 . . . . . 115 L N . 52788 1
425 . 1 . 1 116 116 GLN H H 1 7.889 0.000 . 1 . . . . . 116 Q H . 52788 1
426 . 1 . 1 116 116 GLN CA C 13 58.952 0.000 . 1 . . . . . 116 Q CA . 52788 1
427 . 1 . 1 116 116 GLN CB C 13 28.422 0.000 . 1 . . . . . 116 Q CB . 52788 1
428 . 1 . 1 116 116 GLN N N 15 119.616 0.000 . 1 . . . . . 116 Q N . 52788 1
429 . 1 . 1 117 117 LYS H H 1 8.415 0.000 . 1 . . . . . 117 K H . 52788 1
430 . 1 . 1 117 117 LYS CA C 13 57.385 0.000 . 1 . . . . . 117 K CA . 52788 1
431 . 1 . 1 117 117 LYS CB C 13 32.956 0.000 . 1 . . . . . 117 K CB . 52788 1
432 . 1 . 1 117 117 LYS N N 15 116.902 0.000 . 1 . . . . . 117 K N . 52788 1
433 . 1 . 1 118 118 VAL H H 1 8.752 0.000 . 1 . . . . . 118 V H . 52788 1
434 . 1 . 1 118 118 VAL CA C 13 66.222 0.000 . 1 . . . . . 118 V CA . 52788 1
435 . 1 . 1 118 118 VAL CB C 13 31.377 0.000 . 1 . . . . . 118 V CB . 52788 1
436 . 1 . 1 118 118 VAL N N 15 121.407 0.000 . 1 . . . . . 118 V N . 52788 1
437 . 1 . 1 119 119 ALA H H 1 7.230 0.000 . 1 . . . . . 119 A H . 52788 1
438 . 1 . 1 119 119 ALA CA C 13 54.630 0.000 . 1 . . . . . 119 A CA . 52788 1
439 . 1 . 1 119 119 ALA CB C 13 18.045 0.000 . 1 . . . . . 119 A CB . 52788 1
440 . 1 . 1 119 119 ALA N N 15 122.905 0.000 . 1 . . . . . 119 A N . 52788 1
441 . 1 . 1 120 120 SER H H 1 6.845 0.000 . 1 . . . . . 120 S H . 52788 1
442 . 1 . 1 120 120 SER CA C 13 57.767 0.000 . 1 . . . . . 120 S CA . 52788 1
443 . 1 . 1 120 120 SER CB C 13 63.770 0.000 . 1 . . . . . 120 S CB . 52788 1
444 . 1 . 1 120 120 SER N N 15 109.477 0.000 . 1 . . . . . 120 S N . 52788 1
445 . 1 . 1 121 121 MET H H 1 7.122 0.000 . 1 . . . . . 121 M H . 52788 1
446 . 1 . 1 121 121 MET CA C 13 53.935 0.000 . 1 . . . . . 121 M CA . 52788 1
447 . 1 . 1 121 121 MET CB C 13 35.448 0.000 . 1 . . . . . 121 M CB . 52788 1
448 . 1 . 1 121 121 MET N N 15 122.910 0.000 . 1 . . . . . 121 M N . 52788 1
449 . 1 . 1 122 122 PRO CA C 13 63.377 0.000 . 1 . . . . . 122 P CA . 52788 1
450 . 1 . 1 122 122 PRO CB C 13 32.117 0.000 . 1 . . . . . 122 P CB . 52788 1
451 . 1 . 1 123 123 GLN H H 1 8.403 0.000 . 1 . . . . . 123 Q H . 52788 1
452 . 1 . 1 123 123 GLN CA C 13 58.108 0.000 . 1 . . . . . 123 Q CA . 52788 1
453 . 1 . 1 123 123 GLN CB C 13 29.649 0.000 . 1 . . . . . 123 Q CB . 52788 1
454 . 1 . 1 123 123 GLN N N 15 121.344 0.000 . 1 . . . . . 123 Q N . 52788 1
455 . 1 . 1 124 124 GLU H H 1 7.907 0.000 . 1 . . . . . 124 E H . 52788 1
456 . 1 . 1 124 124 GLU CA C 13 54.715 0.000 . 1 . . . . . 124 E CA . 52788 1
457 . 1 . 1 124 124 GLU CB C 13 30.968 0.000 . 1 . . . . . 124 E CB . 52788 1
458 . 1 . 1 124 124 GLU N N 15 118.665 0.000 . 1 . . . . . 124 E N . 52788 1
459 . 1 . 1 125 125 GLU H H 1 8.837 0.000 . 1 . . . . . 125 E H . 52788 1
460 . 1 . 1 125 125 GLU CA C 13 56.995 0.000 . 1 . . . . . 125 E CA . 52788 1
461 . 1 . 1 125 125 GLU CB C 13 29.688 0.000 . 1 . . . . . 125 E CB . 52788 1
462 . 1 . 1 125 125 GLU N N 15 127.828 0.000 . 1 . . . . . 125 E N . 52788 1
463 . 1 . 1 126 126 GLN H H 1 8.621 0.000 . 1 . . . . . 126 Q H . 52788 1
464 . 1 . 1 126 126 GLN CA C 13 53.964 0.000 . 1 . . . . . 126 Q CA . 52788 1
465 . 1 . 1 126 126 GLN CB C 13 32.528 0.000 . 1 . . . . . 126 Q CB . 52788 1
466 . 1 . 1 126 126 GLN N N 15 126.103 0.000 . 1 . . . . . 126 Q N . 52788 1
467 . 1 . 1 127 127 GLU H H 1 8.901 0.000 . 1 . . . . . 127 E H . 52788 1
468 . 1 . 1 127 127 GLU CA C 13 57.181 0.000 . 1 . . . . . 127 E CA . 52788 1
469 . 1 . 1 127 127 GLU CB C 13 30.087 0.000 . 1 . . . . . 127 E CB . 52788 1
470 . 1 . 1 127 127 GLU N N 15 124.803 0.000 . 1 . . . . . 127 E N . 52788 1
471 . 1 . 1 128 128 LEU H H 1 8.092 0.000 . 1 . . . . . 128 L H . 52788 1
472 . 1 . 1 128 128 LEU CA C 13 54.293 0.000 . 1 . . . . . 128 L CA . 52788 1
473 . 1 . 1 128 128 LEU CB C 13 42.377 0.000 . 1 . . . . . 128 L CB . 52788 1
474 . 1 . 1 128 128 LEU N N 15 125.989 0.000 . 1 . . . . . 128 L N . 52788 1
475 . 1 . 1 129 129 VAL H H 1 8.142 0.000 . 1 . . . . . 129 V H . 52788 1
476 . 1 . 1 129 129 VAL CA C 13 62.118 0.000 . 1 . . . . . 129 V CA . 52788 1
477 . 1 . 1 129 129 VAL CB C 13 32.733 0.000 . 1 . . . . . 129 V CB . 52788 1
478 . 1 . 1 129 129 VAL N N 15 122.269 0.000 . 1 . . . . . 129 V N . 52788 1
479 . 1 . 1 130 130 VAL H H 1 8.291 0.000 . 1 . . . . . 130 V H . 52788 1
480 . 1 . 1 130 130 VAL CA C 13 62.075 0.000 . 1 . . . . . 130 V CA . 52788 1
481 . 1 . 1 130 130 VAL CB C 13 32.857 0.000 . 1 . . . . . 130 V CB . 52788 1
482 . 1 . 1 130 130 VAL N N 15 125.378 0.000 . 1 . . . . . 130 V N . 52788 1
483 . 1 . 1 131 131 THR H H 1 8.212 0.000 . 1 . . . . . 131 T H . 52788 1
484 . 1 . 1 131 131 THR CA C 13 61.679 0.000 . 1 . . . . . 131 T CA . 52788 1
485 . 1 . 1 131 131 THR CB C 13 69.834 0.000 . 1 . . . . . 131 T CB . 52788 1
486 . 1 . 1 131 131 THR N N 15 119.670 0.000 . 1 . . . . . 131 T N . 52788 1
487 . 1 . 1 132 132 ILE H H 1 8.211 0.000 . 1 . . . . . 132 I H . 52788 1
488 . 1 . 1 132 132 ILE CA C 13 58.479 0.000 . 1 . . . . . 132 I CA . 52788 1
489 . 1 . 1 132 132 ILE CB C 13 38.663 0.000 . 1 . . . . . 132 I CB . 52788 1
490 . 1 . 1 132 132 ILE N N 15 125.781 0.000 . 1 . . . . . 132 I N . 52788 1
491 . 1 . 1 133 133 PRO CA C 13 63.107 0.000 . 1 . . . . . 133 P CA . 52788 1
492 . 1 . 1 133 133 PRO CB C 13 32.166 0.000 . 1 . . . . . 133 P CB . 52788 1
493 . 1 . 1 134 134 LYS H H 1 8.307 0.000 . 1 . . . . . 134 K H . 52788 1
494 . 1 . 1 134 134 LYS CA C 13 56.220 0.000 . 1 . . . . . 134 K CA . 52788 1
495 . 1 . 1 134 134 LYS CB C 13 33.246 0.000 . 1 . . . . . 134 K CB . 52788 1
496 . 1 . 1 134 134 LYS N N 15 122.154 0.000 . 1 . . . . . 134 K N . 52788 1
497 . 1 . 1 135 135 ASN H H 1 7.924 0.000 . 1 . . . . . 135 N H . 52788 1
498 . 1 . 1 135 135 ASN CA C 13 54.681 0.000 . 1 . . . . . 135 N CA . 52788 1
499 . 1 . 1 135 135 ASN CB C 13 40.392 0.000 . 1 . . . . . 135 N CB . 52788 1
500 . 1 . 1 135 135 ASN N N 15 125.287 0.000 . 1 . . . . . 135 N N . 52788 1
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