Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16781
_Assigned_chem_shift_list.ID 1
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 16781 1
2 '3D CBCA(CO)NH' . . . 16781 1
3 '3D HNCO' . . . 16781 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 $Felix . . 16781 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.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 9 9 PRO C C 13 175.61 0.2 . 1 . . . . 1 P C . 16781 1
2 . 1 1 9 9 PRO CA C 13 62.72 0.2 . 1 . . . . 1 P CA . 16781 1
3 . 1 1 9 9 PRO CB C 13 35.60 0.2 . 1 . . . . 1 P CB . 16781 1
4 . 1 1 10 10 ALA H H 1 8.494 0.01 . 1 . . . . 2 A H . 16781 1
5 . 1 1 10 10 ALA C C 13 172.45 0.2 . 1 . . . . 2 A C . 16781 1
6 . 1 1 10 10 ALA CA C 13 54.77 0.2 . 1 . . . . 2 A CA . 16781 1
7 . 1 1 10 10 ALA CB C 13 18.67 0.2 . 1 . . . . 2 A CB . 16781 1
8 . 1 1 10 10 ALA N N 15 117.96 0.2 . 1 . . . . 2 A N . 16781 1
9 . 1 1 11 11 ILE H H 1 7.304 0.01 . 1 . . . . 3 I H . 16781 1
10 . 1 1 11 11 ILE C C 13 176.31 0.2 . 1 . . . . 3 I C . 16781 1
11 . 1 1 11 11 ILE CA C 13 62.12 0.2 . 1 . . . . 3 I CA . 16781 1
12 . 1 1 11 11 ILE CB C 13 35.92 0.2 . 1 . . . . 3 I CB . 16781 1
13 . 1 1 11 11 ILE N N 15 118.23 0.2 . 1 . . . . 3 I N . 16781 1
14 . 1 1 12 12 ILE H H 1 7.408 0.01 . 1 . . . . 4 I H . 16781 1
15 . 1 1 12 12 ILE C C 13 174.65 0.2 . 1 . . . . 4 I C . 16781 1
16 . 1 1 12 12 ILE CA C 13 64.17 0.2 . 1 . . . . 4 I CA . 16781 1
17 . 1 1 12 12 ILE CB C 13 37.72 0.2 . 1 . . . . 4 I CB . 16781 1
18 . 1 1 12 12 ILE N N 15 122.12 0.2 . 1 . . . . 4 I N . 16781 1
19 . 1 1 13 13 GLU H H 1 8.235 0.01 . 1 . . . . 5 E H . 16781 1
20 . 1 1 13 13 GLU C C 13 173.84 0.2 . 1 . . . . 5 E C . 16781 1
21 . 1 1 13 13 GLU CA C 13 59.30 0.2 . 1 . . . . 5 E CA . 16781 1
22 . 1 1 13 13 GLU CB C 13 29.46 0.2 . 1 . . . . 5 E CB . 16781 1
23 . 1 1 13 13 GLU N N 15 118.75 0.2 . 1 . . . . 5 E N . 16781 1
24 . 1 1 14 14 ALA H H 1 7.576 0.01 . 1 . . . . 6 A H . 16781 1
25 . 1 1 14 14 ALA C C 13 174.19 0.2 . 1 . . . . 6 A C . 16781 1
26 . 1 1 14 14 ALA CA C 13 55.17 0.2 . 1 . . . . 6 A CA . 16781 1
27 . 1 1 14 14 ALA CB C 13 18.17 0.2 . 1 . . . . 6 A CB . 16781 1
28 . 1 1 14 14 ALA N N 15 121.67 0.2 . 1 . . . . 6 A N . 16781 1
29 . 1 1 15 15 GLN H H 1 8.630 0.01 . 1 . . . . 7 Q H . 16781 1
30 . 1 1 15 15 GLN C C 13 174.71 0.2 . 1 . . . . 7 Q C . 16781 1
31 . 1 1 15 15 GLN CA C 13 59.78 0.2 . 1 . . . . 7 Q CA . 16781 1
32 . 1 1 15 15 GLN CB C 13 28.33 0.2 . 1 . . . . 7 Q CB . 16781 1
33 . 1 1 15 15 GLN N N 15 118.67 0.2 . 1 . . . . 7 Q N . 16781 1
34 . 1 1 16 16 GLU H H 1 8.135 0.01 . 1 . . . . 8 E H . 16781 1
35 . 1 1 16 16 GLU C C 13 173.94 0.2 . 1 . . . . 8 E C . 16781 1
36 . 1 1 16 16 GLU CA C 13 59.28 0.2 . 1 . . . . 8 E CA . 16781 1
37 . 1 1 16 16 GLU CB C 13 28.92 0.2 . 1 . . . . 8 E CB . 16781 1
38 . 1 1 16 16 GLU N N 15 119.85 0.2 . 1 . . . . 8 E N . 16781 1
39 . 1 1 17 17 ALA H H 1 7.759 0.01 . 1 . . . . 9 A H . 16781 1
40 . 1 1 17 17 ALA C C 13 172.61 0.2 . 1 . . . . 9 A C . 16781 1
41 . 1 1 17 17 ALA CA C 13 55.10 0.2 . 1 . . . . 9 A CA . 16781 1
42 . 1 1 17 17 ALA CB C 13 17.60 0.2 . 1 . . . . 9 A CB . 16781 1
43 . 1 1 17 17 ALA N N 15 121.99 0.2 . 1 . . . . 9 A N . 16781 1
44 . 1 1 18 18 VAL H H 1 8.527 0.01 . 1 . . . . 10 V H . 16781 1
45 . 1 1 18 18 VAL C C 13 176.31 0.2 . 1 . . . . 10 V C . 16781 1
46 . 1 1 18 18 VAL CA C 13 66.00 0.2 . 1 . . . . 10 V CA . 16781 1
47 . 1 1 18 18 VAL CB C 13 31.29 0.2 . 1 . . . . 10 V CB . 16781 1
48 . 1 1 18 18 VAL N N 15 120.42 0.2 . 1 . . . . 10 V N . 16781 1
49 . 1 1 19 19 SER H H 1 7.829 0.01 . 1 . . . . 11 S H . 16781 1
50 . 1 1 19 19 SER C C 13 178.80 0.2 . 1 . . . . 11 S C . 16781 1
51 . 1 1 19 19 SER CA C 13 61.25 0.2 . 1 . . . . 11 S CA . 16781 1
52 . 1 1 19 19 SER CB C 13 63.16 0.2 . 1 . . . . 11 S CB . 16781 1
53 . 1 1 19 19 SER N N 15 114.04 0.2 . 1 . . . . 11 S N . 16781 1
54 . 1 1 20 20 THR H H 1 7.305 0.01 . 1 . . . . 12 T H . 16781 1
55 . 1 1 20 20 THR C C 13 178.79 0.2 . 1 . . . . 12 T C . 16781 1
56 . 1 1 20 20 THR CA C 13 62.31 0.2 . 1 . . . . 12 T CA . 16781 1
57 . 1 1 20 20 THR CB C 13 70.24 0.2 . 1 . . . . 12 T CB . 16781 1
58 . 1 1 20 20 THR N N 15 110.42 0.2 . 1 . . . . 12 T N . 16781 1
59 . 1 1 21 21 ILE H H 1 7.507 0.01 . 1 . . . . 13 I H . 16781 1
60 . 1 1 21 21 ILE C C 13 177.45 0.2 . 1 . . . . 13 I C . 16781 1
61 . 1 1 21 21 ILE CA C 13 63.22 0.2 . 1 . . . . 13 I CA . 16781 1
62 . 1 1 21 21 ILE CB C 13 37.92 0.2 . 1 . . . . 13 I CB . 16781 1
63 . 1 1 21 21 ILE N N 15 124.04 0.2 . 1 . . . . 13 I N . 16781 1
64 . 1 1 22 22 LYS H H 1 9.801 0.01 . 1 . . . . 14 K H . 16781 1
65 . 1 1 22 22 LYS C C 13 175.75 0.2 . 1 . . . . 14 K C . 16781 1
66 . 1 1 22 22 LYS CA C 13 54.10 0.2 . 1 . . . . 14 K CA . 16781 1
67 . 1 1 22 22 LYS CB C 13 33.71 0.2 . 1 . . . . 14 K CB . 16781 1
68 . 1 1 22 22 LYS N N 15 129.86 0.2 . 1 . . . . 14 K N . 16781 1
69 . 1 1 23 23 LYS H H 1 8.670 0.01 . 1 . . . . 15 K H . 16781 1
70 . 1 1 23 23 LYS C C 13 175.17 0.2 . 1 . . . . 15 K C . 16781 1
71 . 1 1 23 23 LYS CA C 13 60.32 0.2 . 1 . . . . 15 K CA . 16781 1
72 . 1 1 23 23 LYS CB C 13 31.74 0.2 . 1 . . . . 15 K CB . 16781 1
73 . 1 1 23 23 LYS N N 15 124.99 0.2 . 1 . . . . 15 K N . 16781 1
74 . 1 1 24 24 LYS H H 1 8.346 0.01 . 1 . . . . 16 K H . 16781 1
75 . 1 1 24 24 LYS C C 13 175.14 0.2 . 1 . . . . 16 K C . 16781 1
76 . 1 1 24 24 LYS CA C 13 58.83 0.2 . 1 . . . . 16 K CA . 16781 1
77 . 1 1 24 24 LYS CB C 13 31.72 0.2 . 1 . . . . 16 K CB . 16781 1
78 . 1 1 24 24 LYS N N 15 115.66 0.2 . 1 . . . . 16 K N . 16781 1
79 . 1 1 25 25 HIS H H 1 7.082 0.01 . 1 . . . . 17 H H . 16781 1
80 . 1 1 25 25 HIS C C 13 174.15 0.2 . 1 . . . . 17 H C . 16781 1
81 . 1 1 25 25 HIS CA C 13 58.45 0.2 . 1 . . . . 17 H CA . 16781 1
82 . 1 1 25 25 HIS CB C 13 31.79 0.2 . 1 . . . . 17 H CB . 16781 1
83 . 1 1 25 25 HIS N N 15 118.07 0.2 . 1 . . . . 17 H N . 16781 1
84 . 1 1 26 26 LEU H H 1 7.424 0.01 . 1 . . . . 18 L H . 16781 1
85 . 1 1 26 26 LEU C C 13 175.06 0.2 . 1 . . . . 18 L C . 16781 1
86 . 1 1 26 26 LEU CA C 13 57.51 0.2 . 1 . . . . 18 L CA . 16781 1
87 . 1 1 26 26 LEU CB C 13 40.68 0.2 . 1 . . . . 18 L CB . 16781 1
88 . 1 1 26 26 LEU N N 15 120.77 0.2 . 1 . . . . 18 L N . 16781 1
89 . 1 1 27 27 ASP H H 1 8.659 0.01 . 1 . . . . 19 D H . 16781 1
90 . 1 1 27 27 ASP C C 13 174.37 0.2 . 1 . . . . 19 D C . 16781 1
91 . 1 1 27 27 ASP CA C 13 57.15 0.2 . 1 . . . . 19 D CA . 16781 1
92 . 1 1 27 27 ASP CB C 13 40.55 0.2 . 1 . . . . 19 D CB . 16781 1
93 . 1 1 27 27 ASP N N 15 120.89 0.2 . 1 . . . . 19 D N . 16781 1
94 . 1 1 28 28 GLU H H 1 7.511 0.01 . 1 . . . . 20 E H . 16781 1
95 . 1 1 28 28 GLU C C 13 174.36 0.2 . 1 . . . . 20 E C . 16781 1
96 . 1 1 28 28 GLU CA C 13 59.02 0.2 . 1 . . . . 20 E CA . 16781 1
97 . 1 1 28 28 GLU CB C 13 29.50 0.2 . 1 . . . . 20 E CB . 16781 1
98 . 1 1 28 28 GLU N N 15 118.67 0.2 . 1 . . . . 20 E N . 16781 1
99 . 1 1 29 29 ILE H H 1 7.199 0.01 . 1 . . . . 21 I H . 16781 1
100 . 1 1 29 29 ILE C C 13 175.72 0.2 . 1 . . . . 21 I C . 16781 1
101 . 1 1 29 29 ILE CA C 13 64.17 0.2 . 1 . . . . 21 I CA . 16781 1
102 . 1 1 29 29 ILE CB C 13 37.72 0.2 . 1 . . . . 21 I CB . 16781 1
103 . 1 1 29 29 ILE N N 15 118.39 0.2 . 1 . . . . 21 I N . 16781 1
104 . 1 1 30 30 LYS H H 1 8.255 0.01 . 1 . . . . 22 K H . 16781 1
105 . 1 1 30 30 LYS C C 13 176.66 0.2 . 1 . . . . 22 K C . 16781 1
106 . 1 1 30 30 LYS CA C 13 58.95 0.2 . 1 . . . . 22 K CA . 16781 1
107 . 1 1 30 30 LYS CB C 13 31.35 0.2 . 1 . . . . 22 K CB . 16781 1
108 . 1 1 30 30 LYS N N 15 119.13 0.2 . 1 . . . . 22 K N . 16781 1
109 . 1 1 31 31 SER H H 1 7.515 0.01 . 1 . . . . 23 S H . 16781 1
110 . 1 1 31 31 SER C C 13 179.49 0.2 . 1 . . . . 23 S C . 16781 1
111 . 1 1 31 31 SER CA C 13 59.32 0.2 . 1 . . . . 23 S CA . 16781 1
112 . 1 1 31 31 SER CB C 13 64.14 0.2 . 1 . . . . 23 S CB . 16781 1
113 . 1 1 31 31 SER N N 15 112.64 0.2 . 1 . . . . 23 S N . 16781 1
114 . 1 1 32 32 LEU H H 1 7.396 0.01 . 1 . . . . 24 L H . 16781 1
115 . 1 1 32 32 LEU C C 13 177.31 0.2 . 1 . . . . 24 L C . 16781 1
116 . 1 1 32 32 LEU CA C 13 53.23 0.2 . 1 . . . . 24 L CA . 16781 1
117 . 1 1 32 32 LEU CB C 13 42.41 0.2 . 1 . . . . 24 L CB . 16781 1
118 . 1 1 32 32 LEU N N 15 123.76 0.2 . 1 . . . . 24 L N . 16781 1
119 . 1 1 33 33 PRO C C 13 176.31 0.2 . 1 . . . . 25 P C . 16781 1
120 . 1 1 33 33 PRO CA C 13 64.54 0.2 . 1 . . . . 25 P CA . 16781 1
121 . 1 1 33 33 PRO CB C 13 31.96 0.2 . 1 . . . . 25 P CB . 16781 1
122 . 1 1 34 34 LYS H H 1 7.154 0.01 . 1 . . . . 26 K H . 16781 1
123 . 1 1 34 34 LYS C C 13 180.80 0.2 . 1 . . . . 26 K C . 16781 1
124 . 1 1 34 34 LYS CA C 13 52.91 0.2 . 1 . . . . 26 K CA . 16781 1
125 . 1 1 34 34 LYS CB C 13 33.72 0.2 . 1 . . . . 26 K CB . 16781 1
126 . 1 1 34 34 LYS N N 15 115.21 0.2 . 1 . . . . 26 K N . 16781 1
127 . 1 1 36 36 PRO C C 13 176.24 0.2 . 1 . . . . 28 P C . 16781 1
128 . 1 1 36 36 PRO CA C 13 62.05 0.2 . 1 . . . . 28 P CA . 16781 1
129 . 1 1 36 36 PRO CB C 13 32.72 0.2 . 1 . . . . 28 P CB . 16781 1
130 . 1 1 37 37 THR H H 1 9.047 0.01 . 1 . . . . 29 T H . 16781 1
131 . 1 1 37 37 THR CA C 13 68.90 0.2 . 1 . . . . 29 T CA . 16781 1
132 . 1 1 37 37 THR CB C 13 67.06 0.2 . 1 . . . . 29 T CB . 16781 1
133 . 1 1 37 37 THR N N 15 121.47 0.2 . 1 . . . . 29 T N . 16781 1
134 . 1 1 38 38 PRO C C 13 175.47 0.2 . 1 . . . . 30 P C . 16781 1
135 . 1 1 38 38 PRO CA C 13 66.52 0.2 . 1 . . . . 30 P CA . 16781 1
136 . 1 1 38 38 PRO CB C 13 32.60 0.2 . 1 . . . . 30 P CB . 16781 1
137 . 1 1 39 39 VAL H H 1 6.313 0.01 . 1 . . . . 31 V H . 16781 1
138 . 1 1 39 39 VAL C C 13 176.81 0.2 . 1 . . . . 31 V C . 16781 1
139 . 1 1 39 39 VAL CA C 13 64.94 0.2 . 1 . . . . 31 V CA . 16781 1
140 . 1 1 39 39 VAL CB C 13 32.22 0.2 . 1 . . . . 31 V CB . 16781 1
141 . 1 1 39 39 VAL N N 15 113.27 0.2 . 1 . . . . 31 V N . 16781 1
142 . 1 1 40 40 LYS H H 1 7.572 0.01 . 1 . . . . 32 K H . 16781 1
143 . 1 1 40 40 LYS C C 13 175.26 0.2 . 1 . . . . 32 K C . 16781 1
144 . 1 1 40 40 LYS CA C 13 60.23 0.2 . 1 . . . . 32 K CA . 16781 1
145 . 1 1 40 40 LYS CB C 13 32.59 0.2 . 1 . . . . 32 K CB . 16781 1
146 . 1 1 40 40 LYS N N 15 119.71 0.2 . 1 . . . . 32 K N . 16781 1
147 . 1 1 41 41 LEU H H 1 8.516 0.01 . 1 . . . . 33 L H . 16781 1
148 . 1 1 41 41 LEU C C 13 174.79 0.2 . 1 . . . . 33 L C . 16781 1
149 . 1 1 41 41 LEU CA C 13 58.37 0.2 . 1 . . . . 33 L CA . 16781 1
150 . 1 1 41 41 LEU CB C 13 43.41 0.2 . 1 . . . . 33 L CB . 16781 1
151 . 1 1 41 41 LEU N N 15 115.53 0.2 . 1 . . . . 33 L N . 16781 1
152 . 1 1 42 42 ALA H H 1 7.722 0.01 . 1 . . . . 34 A H . 16781 1
153 . 1 1 42 42 ALA C C 13 174.26 0.2 . 1 . . . . 34 A C . 16781 1
154 . 1 1 42 42 ALA CA C 13 56.01 0.2 . 1 . . . . 34 A CA . 16781 1
155 . 1 1 42 42 ALA CB C 13 18.62 0.2 . 1 . . . . 34 A CB . 16781 1
156 . 1 1 42 42 ALA N N 15 118.54 0.2 . 1 . . . . 34 A N . 16781 1
157 . 1 1 43 43 MET H H 1 8.106 0.01 . 1 . . . . 35 M H . 16781 1
158 . 1 1 43 43 MET C C 13 174.21 0.2 . 1 . . . . 35 M C . 16781 1
159 . 1 1 43 43 MET CA C 13 56.69 0.2 . 1 . . . . 35 M CA . 16781 1
160 . 1 1 43 43 MET CB C 13 32.29 0.2 . 1 . . . . 35 M CB . 16781 1
161 . 1 1 43 43 MET N N 15 111.74 0.2 . 1 . . . . 35 M N . 16781 1
162 . 1 1 44 44 GLU H H 1 9.189 0.01 . 1 . . . . 36 E H . 16781 1
163 . 1 1 44 44 GLU C C 13 173.45 0.2 . 1 . . . . 36 E C . 16781 1
164 . 1 1 44 44 GLU CA C 13 59.91 0.2 . 1 . . . . 36 E CA . 16781 1
165 . 1 1 44 44 GLU CB C 13 31.16 0.2 . 1 . . . . 36 E CB . 16781 1
166 . 1 1 44 44 GLU N N 15 121.87 0.2 . 1 . . . . 36 E N . 16781 1
167 . 1 1 45 45 ALA H H 1 8.052 0.01 . 1 . . . . 37 A H . 16781 1
168 . 1 1 45 45 ALA C C 13 174.29 0.2 . 1 . . . . 37 A C . 16781 1
169 . 1 1 45 45 ALA CA C 13 55.51 0.2 . 1 . . . . 37 A CA . 16781 1
170 . 1 1 45 45 ALA CB C 13 17.55 0.2 . 1 . . . . 37 A CB . 16781 1
171 . 1 1 45 45 ALA N N 15 121.11 0.2 . 1 . . . . 37 A N . 16781 1
172 . 1 1 46 46 VAL H H 1 7.664 0.01 . 1 . . . . 38 V H . 16781 1
173 . 1 1 46 46 VAL C C 13 175.17 0.2 . 1 . . . . 38 V C . 16781 1
174 . 1 1 46 46 VAL CA C 13 66.85 0.2 . 1 . . . . 38 V CA . 16781 1
175 . 1 1 46 46 VAL CB C 13 31.74 0.2 . 1 . . . . 38 V CB . 16781 1
176 . 1 1 46 46 VAL N N 15 115.04 0.2 . 1 . . . . 38 V N . 16781 1
177 . 1 1 47 47 CYS H H 1 8.360 0.01 . 1 . . . . 39 C H . 16781 1
178 . 1 1 47 47 CYS C C 13 175.32 0.2 . 1 . . . . 39 C C . 16781 1
179 . 1 1 47 47 CYS CA C 13 65.55 0.2 . 1 . . . . 39 C CA . 16781 1
180 . 1 1 47 47 CYS CB C 13 26.56 0.2 . 1 . . . . 39 C CB . 16781 1
181 . 1 1 47 47 CYS N N 15 115.87 0.2 . 1 . . . . 39 C N . 16781 1
182 . 1 1 48 48 LEU H H 1 8.110 0.01 . 1 . . . . 40 L H . 16781 1
183 . 1 1 48 48 LEU C C 13 174.88 0.2 . 1 . . . . 40 L C . 16781 1
184 . 1 1 48 48 LEU CA C 13 58.57 0.2 . 1 . . . . 40 L CA . 16781 1
185 . 1 1 48 48 LEU CB C 13 42.08 0.2 . 1 . . . . 40 L CB . 16781 1
186 . 1 1 48 48 LEU N N 15 126.09 0.2 . 1 . . . . 40 L N . 16781 1
187 . 1 1 49 49 MET H H 1 7.878 0.01 . 1 . . . . 41 M H . 16781 1
188 . 1 1 49 49 MET C C 13 174.16 0.2 . 1 . . . . 41 M C . 16781 1
189 . 1 1 49 49 MET CA C 13 59.89 0.2 . 1 . . . . 41 M CA . 16781 1
190 . 1 1 49 49 MET CB C 13 32.99 0.2 . 1 . . . . 41 M CB . 16781 1
191 . 1 1 49 49 MET N N 15 118.73 0.2 . 1 . . . . 41 M N . 16781 1
192 . 1 1 50 50 LEU H H 1 8.102 0.01 . 1 . . . . 42 L H . 16781 1
193 . 1 1 50 50 LEU C C 13 175.17 0.2 . 1 . . . . 42 L C . 16781 1
194 . 1 1 50 50 LEU CA C 13 57.09 0.2 . 1 . . . . 42 L CA . 16781 1
195 . 1 1 50 50 LEU CB C 13 43.41 0.2 . 1 . . . . 42 L CB . 16781 1
196 . 1 1 50 50 LEU N N 15 117.54 0.2 . 1 . . . . 42 L N . 16781 1
197 . 1 1 51 51 GLY H H 1 7.802 0.01 . 1 . . . . 43 G H . 16781 1
198 . 1 1 51 51 GLY C C 13 178.02 0.2 . 1 . . . . 43 G C . 16781 1
199 . 1 1 51 51 GLY CA C 13 45.42 0.2 . 1 . . . . 43 G CA . 16781 1
200 . 1 1 51 51 GLY N N 15 102.94 0.2 . 1 . . . . 43 G N . 16781 1
201 . 1 1 52 52 GLY H H 1 8.558 0.01 . 1 . . . . 44 G H . 16781 1
202 . 1 1 52 52 GLY C C 13 180.22 0.2 . 1 . . . . 44 G C . 16781 1
203 . 1 1 52 52 GLY CA C 13 46.16 0.2 . 1 . . . . 44 G CA . 16781 1
204 . 1 1 52 52 GLY N N 15 109.64 0.2 . 1 . . . . 44 G N . 16781 1
205 . 1 1 53 53 LYS H H 1 7.674 0.01 . 1 . . . . 45 K H . 16781 1
206 . 1 1 53 53 LYS C C 13 177.80 0.2 . 1 . . . . 45 K C . 16781 1
207 . 1 1 53 53 LYS CA C 13 54.62 0.2 . 1 . . . . 45 K CA . 16781 1
208 . 1 1 53 53 LYS CB C 13 35.94 0.2 . 1 . . . . 45 K CB . 16781 1
209 . 1 1 53 53 LYS N N 15 117.44 0.2 . 1 . . . . 45 K N . 16781 1
210 . 1 1 54 54 LYS H H 1 8.834 0.01 . 1 . . . . 46 K H . 16781 1
211 . 1 1 54 54 LYS C C 13 178.41 0.2 . 1 . . . . 46 K C . 16781 1
212 . 1 1 54 54 LYS CA C 13 56.93 0.2 . 1 . . . . 46 K CA . 16781 1
213 . 1 1 54 54 LYS CB C 13 31.85 0.2 . 1 . . . . 46 K CB . 16781 1
214 . 1 1 54 54 LYS N N 15 126.38 0.2 . 1 . . . . 46 K N . 16781 1
215 . 1 1 55 55 LEU H H 1 8.213 0.01 . 1 . . . . 47 L H . 16781 1
216 . 1 1 55 55 LEU C C 13 176.42 0.2 . 1 . . . . 47 L C . 16781 1
217 . 1 1 55 55 LEU CA C 13 53.32 0.2 . 1 . . . . 47 L CA . 16781 1
218 . 1 1 55 55 LEU CB C 13 44.41 0.2 . 1 . . . . 47 L CB . 16781 1
219 . 1 1 55 55 LEU N N 15 128.75 0.2 . 1 . . . . 47 L N . 16781 1
220 . 1 1 56 56 GLU H H 1 8.864 0.01 . 1 . . . . 48 E H . 16781 1
221 . 1 1 56 56 GLU C C 13 175.01 0.2 . 1 . . . . 48 E C . 16781 1
222 . 1 1 56 56 GLU CA C 13 55.29 0.2 . 1 . . . . 48 E CA . 16781 1
223 . 1 1 56 56 GLU CB C 13 30.24 0.2 . 1 . . . . 48 E CB . 16781 1
224 . 1 1 56 56 GLU N N 15 119.22 0.2 . 1 . . . . 48 E N . 16781 1
225 . 1 1 57 57 TRP H H 1 9.071 0.01 . 1 . . . . 49 W H . 16781 1
226 . 1 1 57 57 TRP C C 13 176.83 0.2 . 1 . . . . 49 W C . 16781 1
227 . 1 1 57 57 TRP CA C 13 60.45 0.2 . 1 . . . . 49 W CA . 16781 1
228 . 1 1 57 57 TRP CB C 13 29.39 0.2 . 1 . . . . 49 W CB . 16781 1
229 . 1 1 57 57 TRP N N 15 124.34 0.2 . 1 . . . . 49 W N . 16781 1
230 . 1 1 58 58 ALA H H 1 8.878 0.01 . 1 . . . . 50 A H . 16781 1
231 . 1 1 58 58 ALA C C 13 173.35 0.2 . 1 . . . . 50 A C . 16781 1
232 . 1 1 58 58 ALA CA C 13 55.50 0.2 . 1 . . . . 50 A CA . 16781 1
233 . 1 1 58 58 ALA CB C 13 18.46 0.2 . 1 . . . . 50 A CB . 16781 1
234 . 1 1 58 58 ALA N N 15 117.68 0.2 . 1 . . . . 50 A N . 16781 1
235 . 1 1 59 59 ASP H H 1 6.962 0.01 . 1 . . . . 51 D H . 16781 1
236 . 1 1 59 59 ASP C C 13 174.51 0.2 . 1 . . . . 51 D C . 16781 1
237 . 1 1 59 59 ASP CA C 13 56.52 0.2 . 1 . . . . 51 D CA . 16781 1
238 . 1 1 59 59 ASP CB C 13 41.91 0.2 . 1 . . . . 51 D CB . 16781 1
239 . 1 1 59 59 ASP N N 15 114.49 0.2 . 1 . . . . 51 D N . 16781 1
240 . 1 1 60 60 ILE H H 1 7.803 0.01 . 1 . . . . 52 I H . 16781 1
241 . 1 1 60 60 ILE C C 13 176.55 0.2 . 1 . . . . 52 I C . 16781 1
242 . 1 1 60 60 ILE CA C 13 66.05 0.2 . 1 . . . . 52 I CA . 16781 1
243 . 1 1 60 60 ILE CB C 13 36.80 0.2 . 1 . . . . 52 I CB . 16781 1
244 . 1 1 60 60 ILE N N 15 126.38 0.2 . 1 . . . . 52 I N . 16781 1
245 . 1 1 61 61 ARG H H 1 7.724 0.01 . 1 . . . . 53 R H . 16781 1
246 . 1 1 61 61 ARG C C 13 176.54 0.2 . 1 . . . . 53 R C . 16781 1
247 . 1 1 61 61 ARG CA C 13 59.98 0.2 . 1 . . . . 53 R CA . 16781 1
248 . 1 1 61 61 ARG CB C 13 30.79 0.2 . 1 . . . . 53 R CB . 16781 1
249 . 1 1 61 61 ARG N N 15 115.72 0.2 . 1 . . . . 53 R N . 16781 1
250 . 1 1 62 62 LYS H H 1 6.247 0.01 . 1 . . . . 54 K H . 16781 1
251 . 1 1 62 62 LYS C C 13 174.70 0.2 . 1 . . . . 54 K C . 16781 1
252 . 1 1 62 62 LYS CA C 13 58.53 0.2 . 1 . . . . 54 K CA . 16781 1
253 . 1 1 62 62 LYS CB C 13 32.75 0.2 . 1 . . . . 54 K CB . 16781 1
254 . 1 1 62 62 LYS N N 15 113.31 0.2 . 1 . . . . 54 K N . 16781 1
255 . 1 1 63 63 LYS H H 1 7.516 0.01 . 1 . . . . 55 K H . 16781 1
256 . 1 1 63 63 LYS C C 13 174.68 0.2 . 1 . . . . 55 K C . 16781 1
257 . 1 1 63 63 LYS CA C 13 58.36 0.2 . 1 . . . . 55 K CA . 16781 1
258 . 1 1 63 63 LYS CB C 13 31.17 0.2 . 1 . . . . 55 K CB . 16781 1
259 . 1 1 63 63 LYS N N 15 121.64 0.2 . 1 . . . . 55 K N . 16781 1
260 . 1 1 64 64 ILE H H 1 7.521 0.01 . 1 . . . . 56 I H . 16781 1
261 . 1 1 64 64 ILE C C 13 178.55 0.2 . 1 . . . . 56 I C . 16781 1
262 . 1 1 64 64 ILE CA C 13 62.75 0.2 . 1 . . . . 56 I CA . 16781 1
263 . 1 1 64 64 ILE CB C 13 36.90 0.2 . 1 . . . . 56 I CB . 16781 1
264 . 1 1 64 64 ILE N N 15 109.59 0.2 . 1 . . . . 56 I N . 16781 1
265 . 1 1 65 65 MET H H 1 6.468 0.01 . 1 . . . . 57 M H . 16781 1
266 . 1 1 65 65 MET C C 13 176.06 0.2 . 1 . . . . 57 M C . 16781 1
267 . 1 1 65 65 MET CA C 13 53.40 0.2 . 1 . . . . 57 M CA . 16781 1
268 . 1 1 65 65 MET CB C 13 32.79 0.2 . 1 . . . . 57 M CB . 16781 1
269 . 1 1 65 65 MET N N 15 113.73 0.2 . 1 . . . . 57 M N . 16781 1
270 . 1 1 66 66 GLU H H 1 7.469 0.01 . 1 . . . . 58 E H . 16781 1
271 . 1 1 66 66 GLU CA C 13 55.65 0.2 . 1 . . . . 58 E CA . 16781 1
272 . 1 1 66 66 GLU CB C 13 28.36 0.2 . 1 . . . . 58 E CB . 16781 1
273 . 1 1 66 66 GLU N N 15 123.92 0.2 . 1 . . . . 58 E N . 16781 1
274 . 1 1 67 67 PRO C C 13 176.24 0.2 . 1 . . . . 59 P C . 16781 1
275 . 1 1 67 67 PRO CA C 13 65.07 0.2 . 1 . . . . 59 P CA . 16781 1
276 . 1 1 67 67 PRO CB C 13 31.74 0.2 . 1 . . . . 59 P CB . 16781 1
277 . 1 1 68 68 ASN H H 1 8.065 0.01 . 1 . . . . 60 N H . 16781 1
278 . 1 1 68 68 ASN C C 13 177.93 0.2 . 1 . . . . 60 N C . 16781 1
279 . 1 1 68 68 ASN CA C 13 52.41 0.2 . 1 . . . . 60 N CA . 16781 1
280 . 1 1 68 68 ASN CB C 13 37.86 0.2 . 1 . . . . 60 N CB . 16781 1
281 . 1 1 68 68 ASN N N 15 113.39 0.2 . 1 . . . . 60 N N . 16781 1
282 . 1 1 69 69 PHE H H 1 7.638 0.01 . 1 . . . . 61 F H . 16781 1
283 . 1 1 69 69 PHE C C 13 176.66 0.2 . 1 . . . . 61 F C . 16781 1
284 . 1 1 69 69 PHE CA C 13 62.76 0.2 . 1 . . . . 61 F CA . 16781 1
285 . 1 1 69 69 PHE CB C 13 39.30 0.2 . 1 . . . . 61 F CB . 16781 1
286 . 1 1 69 69 PHE N N 15 122.67 0.2 . 1 . . . . 61 F N . 16781 1
287 . 1 1 70 70 ILE H H 1 8.381 0.01 . 1 . . . . 62 I H . 16781 1
288 . 1 1 70 70 ILE C C 13 174.79 0.2 . 1 . . . . 62 I C . 16781 1
289 . 1 1 70 70 ILE CA C 13 62.66 0.2 . 1 . . . . 62 I CA . 16781 1
290 . 1 1 70 70 ILE CB C 13 35.04 0.2 . 1 . . . . 62 I CB . 16781 1
291 . 1 1 70 70 ILE N N 15 118.61 0.2 . 1 . . . . 62 I N . 16781 1
292 . 1 1 71 71 THR H H 1 7.861 0.01 . 1 . . . . 63 T H . 16781 1
293 . 1 1 71 71 THR C C 13 177.44 0.2 . 1 . . . . 63 T C . 16781 1
294 . 1 1 71 71 THR CA C 13 66.48 0.2 . 1 . . . . 63 T CA . 16781 1
295 . 1 1 71 71 THR CB C 13 68.66 0.2 . 1 . . . . 63 T CB . 16781 1
296 . 1 1 71 71 THR N N 15 115.14 0.2 . 1 . . . . 63 T N . 16781 1
297 . 1 1 72 72 SER H H 1 8.177 0.01 . 1 . . . . 64 S H . 16781 1
298 . 1 1 72 72 SER C C 13 178.79 0.2 . 1 . . . . 64 S C . 16781 1
299 . 1 1 72 72 SER CA C 13 61.35 0.2 . 1 . . . . 64 S CA . 16781 1
300 . 1 1 72 72 SER CB C 13 62.65 0.2 . 1 . . . . 64 S CB . 16781 1
301 . 1 1 72 72 SER N N 15 117.90 0.2 . 1 . . . . 64 S N . 16781 1
302 . 1 1 73 73 ILE H H 1 6.741 0.01 . 1 . . . . 65 I H . 16781 1
303 . 1 1 73 73 ILE C C 13 175.76 0.2 . 1 . . . . 65 I C . 16781 1
304 . 1 1 73 73 ILE CA C 13 63.97 0.2 . 1 . . . . 65 I CA . 16781 1
305 . 1 1 73 73 ILE CB C 13 37.40 0.2 . 1 . . . . 65 I CB . 16781 1
306 . 1 1 73 73 ILE N N 15 123.22 0.2 . 1 . . . . 65 I N . 16781 1
307 . 1 1 74 74 ILE H H 1 7.749 0.01 . 1 . . . . 66 I H . 16781 1
308 . 1 1 74 74 ILE C C 13 176.26 0.2 . 1 . . . . 66 I C . 16781 1
309 . 1 1 74 74 ILE CA C 13 65.00 0.2 . 1 . . . . 66 I CA . 16781 1
310 . 1 1 74 74 ILE CB C 13 37.31 0.2 . 1 . . . . 66 I CB . 16781 1
311 . 1 1 74 74 ILE N N 15 119.33 0.2 . 1 . . . . 66 I N . 16781 1
312 . 1 1 75 75 ASN H H 1 7.982 0.01 . 1 . . . . 67 N H . 16781 1
313 . 1 1 75 75 ASN C C 13 179.58 0.2 . 1 . . . . 67 N C . 16781 1
314 . 1 1 75 75 ASN CA C 13 52.83 0.2 . 1 . . . . 67 N CA . 16781 1
315 . 1 1 75 75 ASN CB C 13 38.17 0.2 . 1 . . . . 67 N CB . 16781 1
316 . 1 1 75 75 ASN N N 15 114.82 0.2 . 1 . . . . 67 N N . 16781 1
317 . 1 1 76 76 TYR H H 1 6.887 0.01 . 1 . . . . 68 Y H . 16781 1
318 . 1 1 76 76 TYR C C 13 179.00 0.2 . 1 . . . . 68 Y C . 16781 1
319 . 1 1 76 76 TYR CA C 13 59.76 0.2 . 1 . . . . 68 Y CA . 16781 1
320 . 1 1 76 76 TYR CB C 13 41.54 0.2 . 1 . . . . 68 Y CB . 16781 1
321 . 1 1 76 76 TYR N N 15 122.67 0.2 . 1 . . . . 68 Y N . 16781 1
322 . 1 1 77 77 ASP H H 1 8.048 0.01 . 1 . . . . 69 D H . 16781 1
323 . 1 1 77 77 ASP C C 13 179.06 0.2 . 1 . . . . 69 D C . 16781 1
324 . 1 1 77 77 ASP CA C 13 51.93 0.2 . 1 . . . . 69 D CA . 16781 1
325 . 1 1 77 77 ASP CB C 13 40.23 0.2 . 1 . . . . 69 D CB . 16781 1
326 . 1 1 77 77 ASP N N 15 129.80 0.2 . 1 . . . . 69 D N . 16781 1
327 . 1 1 78 78 THR H H 1 7.776 0.01 . 1 . . . . 70 T H . 16781 1
328 . 1 1 78 78 THR C C 13 177.92 0.2 . 1 . . . . 70 T C . 16781 1
329 . 1 1 78 78 THR CA C 13 67.88 0.2 . 1 . . . . 70 T CA . 16781 1
330 . 1 1 78 78 THR CB C 13 70.05 0.2 . 1 . . . . 70 T CB . 16781 1
331 . 1 1 78 78 THR N N 15 121.84 0.2 . 1 . . . . 70 T N . 16781 1
332 . 1 1 79 79 LYS H H 1 8.291 0.01 . 1 . . . . 71 K H . 16781 1
333 . 1 1 79 79 LYS C C 13 175.90 0.2 . 1 . . . . 71 K C . 16781 1
334 . 1 1 79 79 LYS CA C 13 58.54 0.2 . 1 . . . . 71 K CA . 16781 1
335 . 1 1 79 79 LYS CB C 13 32.18 0.2 . 1 . . . . 71 K CB . 16781 1
336 . 1 1 79 79 LYS N N 15 118.02 0.2 . 1 . . . . 71 K N . 16781 1
337 . 1 1 80 80 LYS H H 1 7.044 0.01 . 1 . . . . 72 K H . 16781 1
338 . 1 1 80 80 LYS C C 13 175.78 0.2 . 1 . . . . 72 K C . 16781 1
339 . 1 1 80 80 LYS CA C 13 57.47 0.2 . 1 . . . . 72 K CA . 16781 1
340 . 1 1 80 80 LYS CB C 13 34.14 0.2 . 1 . . . . 72 K CB . 16781 1
341 . 1 1 80 80 LYS N N 15 115.64 0.2 . 1 . . . . 72 K N . 16781 1
342 . 1 1 81 81 MET H H 1 7.909 0.01 . 1 . . . . 73 M H . 16781 1
343 . 1 1 81 81 MET C C 13 175.77 0.2 . 1 . . . . 73 M C . 16781 1
344 . 1 1 81 81 MET CA C 13 55.70 0.2 . 1 . . . . 73 M CA . 16781 1
345 . 1 1 81 81 MET CB C 13 33.20 0.2 . 1 . . . . 73 M CB . 16781 1
346 . 1 1 81 81 MET N N 15 113.68 0.2 . 1 . . . . 73 M N . 16781 1
347 . 1 1 82 82 MET H H 1 8.006 0.01 . 1 . . . . 74 M H . 16781 1
348 . 1 1 82 82 MET C C 13 178.22 0.2 . 1 . . . . 74 M C . 16781 1
349 . 1 1 82 82 MET CA C 13 54.79 0.2 . 1 . . . . 74 M CA . 16781 1
350 . 1 1 82 82 MET CB C 13 30.43 0.2 . 1 . . . . 74 M CB . 16781 1
351 . 1 1 82 82 MET N N 15 120.77 0.2 . 1 . . . . 74 M N . 16781 1
352 . 1 1 83 83 THR H H 1 6.781 0.01 . 1 . . . . 75 T H . 16781 1
353 . 1 1 83 83 THR C C 13 180.33 0.2 . 1 . . . . 75 T C . 16781 1
354 . 1 1 83 83 THR CA C 13 59.34 0.2 . 1 . . . . 75 T CA . 16781 1
355 . 1 1 83 83 THR CB C 13 68.78 0.2 . 1 . . . . 75 T CB . 16781 1
356 . 1 1 83 83 THR N N 15 114.56 0.2 . 1 . . . . 75 T N . 16781 1
357 . 1 1 84 84 PRO C C 13 174.53 0.2 . 1 . . . . 76 P C . 16781 1
358 . 1 1 84 84 PRO CA C 13 66.37 0.2 . 1 . . . . 76 P CA . 16781 1
359 . 1 1 84 84 PRO CB C 13 31.74 0.2 . 1 . . . . 76 P CB . 16781 1
360 . 1 1 85 85 LYS H H 1 7.828 0.01 . 1 . . . . 77 K H . 16781 1
361 . 1 1 85 85 LYS C C 13 173.64 0.2 . 1 . . . . 77 K C . 16781 1
362 . 1 1 85 85 LYS CA C 13 59.04 0.2 . 1 . . . . 77 K CA . 16781 1
363 . 1 1 85 85 LYS CB C 13 32.52 0.2 . 1 . . . . 77 K CB . 16781 1
364 . 1 1 85 85 LYS N N 15 115.89 0.2 . 1 . . . . 77 K N . 16781 1
365 . 1 1 86 86 ILE H H 1 7.530 0.01 . 1 . . . . 78 I H . 16781 1
366 . 1 1 86 86 ILE C C 13 176.26 0.2 . 1 . . . . 78 I C . 16781 1
367 . 1 1 86 86 ILE CA C 13 64.54 0.2 . 1 . . . . 78 I CA . 16781 1
368 . 1 1 86 86 ILE CB C 13 37.72 0.2 . 1 . . . . 78 I CB . 16781 1
369 . 1 1 86 86 ILE N N 15 122.46 0.2 . 1 . . . . 78 I N . 16781 1
370 . 1 1 87 87 ARG H H 1 8.622 0.01 . 1 . . . . 79 R H . 16781 1
371 . 1 1 87 87 ARG C C 13 174.15 0.2 . 1 . . . . 79 R C . 16781 1
372 . 1 1 87 87 ARG CA C 13 60.74 0.2 . 1 . . . . 79 R CA . 16781 1
373 . 1 1 87 87 ARG CB C 13 30.38 0.2 . 1 . . . . 79 R CB . 16781 1
374 . 1 1 87 87 ARG N N 15 120.60 0.2 . 1 . . . . 79 R N . 16781 1
375 . 1 1 88 88 GLU H H 1 8.243 0.01 . 1 . . . . 80 E H . 16781 1
376 . 1 1 88 88 GLU C C 13 176.07 0.2 . 1 . . . . 80 E C . 16781 1
377 . 1 1 88 88 GLU CA C 13 59.30 0.2 . 1 . . . . 80 E CA . 16781 1
378 . 1 1 88 88 GLU CB C 13 29.46 0.2 . 1 . . . . 80 E CB . 16781 1
379 . 1 1 88 88 GLU N N 15 120.91 0.2 . 1 . . . . 80 E N . 16781 1
380 . 1 1 89 89 ALA H H 1 7.575 0.01 . 1 . . . . 81 A H . 16781 1
381 . 1 1 89 89 ALA C C 13 171.30 0.2 . 1 . . . . 81 A C . 16781 1
382 . 1 1 89 89 ALA CA C 13 55.17 0.2 . 1 . . . . 81 A CA . 16781 1
383 . 1 1 89 89 ALA CB C 13 18.17 0.2 . 1 . . . . 81 A CB . 16781 1
384 . 1 1 89 89 ALA N N 15 121.60 0.2 . 1 . . . . 81 A N . 16781 1
385 . 1 1 90 90 ILE H H 1 8.640 0.01 . 1 . . . . 82 I H . 16781 1
386 . 1 1 90 90 ILE C C 13 174.70 0.2 . 1 . . . . 82 I C . 16781 1
387 . 1 1 90 90 ILE CA C 13 61.66 0.2 . 1 . . . . 82 I CA . 16781 1
388 . 1 1 90 90 ILE CB C 13 35.60 0.2 . 1 . . . . 82 I CB . 16781 1
389 . 1 1 90 90 ILE N N 15 118.87 0.2 . 1 . . . . 82 I N . 16781 1
390 . 1 1 91 91 THR H H 1 8.496 0.01 . 1 . . . . 83 T H . 16781 1
391 . 1 1 91 91 THR C C 13 178.64 0.2 . 1 . . . . 83 T C . 16781 1
392 . 1 1 91 91 THR CA C 13 67.60 0.2 . 1 . . . . 83 T CA . 16781 1
393 . 1 1 91 91 THR CB C 13 68.94 0.2 . 1 . . . . 83 T CB . 16781 1
394 . 1 1 91 91 THR N N 15 118.18 0.2 . 1 . . . . 83 T N . 16781 1
395 . 1 1 92 92 LYS H H 1 8.242 0.01 . 1 . . . . 84 K H . 16781 1
396 . 1 1 92 92 LYS C C 13 174.82 0.2 . 1 . . . . 84 K C . 16781 1
397 . 1 1 92 92 LYS CA C 13 57.52 0.2 . 1 . . . . 84 K CA . 16781 1
398 . 1 1 92 92 LYS CB C 13 32.14 0.2 . 1 . . . . 84 K CB . 16781 1
399 . 1 1 92 92 LYS N N 15 116.32 0.2 . 1 . . . . 84 K N . 16781 1
400 . 1 1 93 93 GLY H H 1 7.536 0.01 . 1 . . . . 85 G H . 16781 1
401 . 1 1 93 93 GLY C C 13 180.18 0.2 . 1 . . . . 85 G C . 16781 1
402 . 1 1 93 93 GLY CA C 13 45.71 0.2 . 1 . . . . 85 G CA . 16781 1
403 . 1 1 93 93 GLY N N 15 103.15 0.2 . 1 . . . . 85 G N . 16781 1
404 . 1 1 94 94 TYR H H 1 7.027 0.01 . 1 . . . . 86 Y H . 16781 1
405 . 1 1 94 94 TYR C C 13 177.85 0.2 . 1 . . . . 86 Y C . 16781 1
406 . 1 1 94 94 TYR CA C 13 60.47 0.2 . 1 . . . . 86 Y CA . 16781 1
407 . 1 1 94 94 TYR CB C 13 37.83 0.2 . 1 . . . . 86 Y CB . 16781 1
408 . 1 1 94 94 TYR N N 15 115.27 0.2 . 1 . . . . 86 Y N . 16781 1
409 . 1 1 95 95 LEU H H 1 8.078 0.01 . 1 . . . . 87 L H . 16781 1
410 . 1 1 95 95 LEU C C 13 173.97 0.2 . 1 . . . . 87 L C . 16781 1
411 . 1 1 95 95 LEU CA C 13 58.55 0.2 . 1 . . . . 87 L CA . 16781 1
412 . 1 1 95 95 LEU CB C 13 40.27 0.2 . 1 . . . . 87 L CB . 16781 1
413 . 1 1 95 95 LEU N N 15 114.99 0.2 . 1 . . . . 87 L N . 16781 1
414 . 1 1 96 96 GLU H H 1 7.453 0.01 . 1 . . . . 88 E H . 16781 1
415 . 1 1 96 96 GLU C C 13 177.38 0.2 . 1 . . . . 88 E C . 16781 1
416 . 1 1 96 96 GLU CA C 13 56.13 0.2 . 1 . . . . 88 E CA . 16781 1
417 . 1 1 96 96 GLU CB C 13 29.47 0.2 . 1 . . . . 88 E CB . 16781 1
418 . 1 1 96 96 GLU N N 15 113.46 0.2 . 1 . . . . 88 E N . 16781 1
419 . 1 1 97 97 ASP H H 1 7.591 0.01 . 1 . . . . 89 D H . 16781 1
420 . 1 1 97 97 ASP C C 13 175.00 0.2 . 1 . . . . 89 D C . 16781 1
421 . 1 1 97 97 ASP CA C 13 51.86 0.2 . 1 . . . . 89 D CA . 16781 1
422 . 1 1 97 97 ASP CB C 13 43.02 0.2 . 1 . . . . 89 D CB . 16781 1
423 . 1 1 97 97 ASP N N 15 124.47 0.2 . 1 . . . . 89 D N . 16781 1
424 . 1 1 98 98 PRO C C 13 175.24 0.2 . 1 . . . . 90 P C . 16781 1
425 . 1 1 98 98 PRO CA C 13 64.67 0.2 . 1 . . . . 90 P CA . 16781 1
426 . 1 1 98 98 PRO CB C 13 31.83 0.2 . 1 . . . . 90 P CB . 16781 1
427 . 1 1 99 99 GLY H H 1 9.437 0.01 . 1 . . . . 91 G H . 16781 1
428 . 1 1 99 99 GLY C C 13 181.52 0.2 . 1 . . . . 91 G C . 16781 1
429 . 1 1 99 99 GLY CA C 13 45.77 0.2 . 1 . . . . 91 G CA . 16781 1
430 . 1 1 99 99 GLY N N 15 107.74 0.2 . 1 . . . . 91 G N . 16781 1
431 . 1 1 100 100 PHE H H 1 7.905 0.01 . 1 . . . . 92 F H . 16781 1
432 . 1 1 100 100 PHE C C 13 179.39 0.2 . 1 . . . . 92 F C . 16781 1
433 . 1 1 100 100 PHE CA C 13 56.63 0.2 . 1 . . . . 92 F CA . 16781 1
434 . 1 1 100 100 PHE CB C 13 41.93 0.2 . 1 . . . . 92 F CB . 16781 1
435 . 1 1 100 100 PHE N N 15 121.20 0.2 . 1 . . . . 92 F N . 16781 1
436 . 1 1 101 101 ASP H H 1 6.860 0.01 . 1 . . . . 93 D H . 16781 1
437 . 1 1 101 101 ASP C C 13 178.10 0.2 . 1 . . . . 93 D C . 16781 1
438 . 1 1 101 101 ASP CA C 13 53.74 0.2 . 1 . . . . 93 D CA . 16781 1
439 . 1 1 101 101 ASP CB C 13 43.84 0.2 . 1 . . . . 93 D CB . 16781 1
440 . 1 1 101 101 ASP N N 15 119.24 0.2 . 1 . . . . 93 D N . 16781 1
441 . 1 1 102 102 TYR H H 1 8.833 0.01 . 1 . . . . 94 Y H . 16781 1
442 . 1 1 102 102 TYR C C 13 177.80 0.2 . 1 . . . . 94 Y C . 16781 1
443 . 1 1 102 102 TYR CA C 13 62.79 0.2 . 1 . . . . 94 Y CA . 16781 1
444 . 1 1 102 102 TYR CB C 13 38.28 0.2 . 1 . . . . 94 Y CB . 16781 1
445 . 1 1 102 102 TYR N N 15 126.07 0.2 . 1 . . . . 94 Y N . 16781 1
446 . 1 1 103 103 GLU H H 1 8.504 0.01 . 1 . . . . 95 E H . 16781 1
447 . 1 1 103 103 GLU C C 13 174.25 0.2 . 1 . . . . 95 E C . 16781 1
448 . 1 1 103 103 GLU CA C 13 59.50 0.2 . 1 . . . . 95 E CA . 16781 1
449 . 1 1 103 103 GLU CB C 13 28.81 0.2 . 1 . . . . 95 E CB . 16781 1
450 . 1 1 103 103 GLU N N 15 117.64 0.2 . 1 . . . . 95 E N . 16781 1
451 . 1 1 104 104 THR H H 1 7.677 0.01 . 1 . . . . 96 T H . 16781 1
452 . 1 1 104 104 THR C C 13 176.63 0.2 . 1 . . . . 96 T C . 16781 1
453 . 1 1 104 104 THR CA C 13 66.84 0.2 . 1 . . . . 96 T CA . 16781 1
454 . 1 1 104 104 THR CB C 13 68.78 0.2 . 1 . . . . 96 T CB . 16781 1
455 . 1 1 104 104 THR N N 15 116.60 0.2 . 1 . . . . 96 T N . 16781 1
456 . 1 1 105 105 VAL H H 1 8.277 0.01 . 1 . . . . 97 V H . 16781 1
457 . 1 1 105 105 VAL C C 13 176.61 0.2 . 1 . . . . 97 V C . 16781 1
458 . 1 1 105 105 VAL CA C 13 66.51 0.2 . 1 . . . . 97 V CA . 16781 1
459 . 1 1 105 105 VAL CB C 13 31.69 0.2 . 1 . . . . 97 V CB . 16781 1
460 . 1 1 105 105 VAL N N 15 122.35 0.2 . 1 . . . . 97 V N . 16781 1
461 . 1 1 106 106 ASN H H 1 8.629 0.01 . 1 . . . . 98 N H . 16781 1
462 . 1 1 106 106 ASN C C 13 176.61 0.2 . 1 . . . . 98 N C . 16781 1
463 . 1 1 106 106 ASN CA C 13 55.26 0.2 . 1 . . . . 98 N CA . 16781 1
464 . 1 1 106 106 ASN CB C 13 38.79 0.2 . 1 . . . . 98 N CB . 16781 1
465 . 1 1 106 106 ASN N N 15 117.50 0.2 . 1 . . . . 98 N N . 16781 1
466 . 1 1 107 107 ARG H H 1 7.221 0.01 . 1 . . . . 99 R H . 16781 1
467 . 1 1 107 107 ARG C C 13 175.90 0.2 . 1 . . . . 99 R C . 16781 1
468 . 1 1 107 107 ARG CA C 13 58.50 0.2 . 1 . . . . 99 R CA . 16781 1
469 . 1 1 107 107 ARG CB C 13 30.23 0.2 . 1 . . . . 99 R CB . 16781 1
470 . 1 1 107 107 ARG N N 15 114.75 0.2 . 1 . . . . 99 R N . 16781 1
471 . 1 1 108 108 ALA H H 1 7.015 0.01 . 1 . . . . 100 A H . 16781 1
472 . 1 1 108 108 ALA C C 13 174.76 0.2 . 1 . . . . 100 A C . 16781 1
473 . 1 1 108 108 ALA CA C 13 53.74 0.2 . 1 . . . . 100 A CA . 16781 1
474 . 1 1 108 108 ALA CB C 13 18.94 0.2 . 1 . . . . 100 A CB . 16781 1
475 . 1 1 108 108 ALA N N 15 121.01 0.2 . 1 . . . . 100 A N . 16781 1
476 . 1 1 109 109 SER H H 1 8.239 0.01 . 1 . . . . 101 S H . 16781 1
477 . 1 1 109 109 SER C C 13 179.07 0.2 . 1 . . . . 101 S C . 16781 1
478 . 1 1 109 109 SER CA C 13 57.38 0.2 . 1 . . . . 101 S CA . 16781 1
479 . 1 1 109 109 SER CB C 13 64.47 0.2 . 1 . . . . 101 S CB . 16781 1
480 . 1 1 109 109 SER N N 15 111.92 0.2 . 1 . . . . 101 S N . 16781 1
481 . 1 1 110 110 LYS H H 1 8.819 0.01 . 1 . . . . 102 K H . 16781 1
482 . 1 1 110 110 LYS C C 13 175.20 0.2 . 1 . . . . 102 K C . 16781 1
483 . 1 1 110 110 LYS CA C 13 57.52 0.2 . 1 . . . . 102 K CA . 16781 1
484 . 1 1 110 110 LYS CB C 13 31.35 0.2 . 1 . . . . 102 K CB . 16781 1
485 . 1 1 110 110 LYS N N 15 130.21 0.2 . 1 . . . . 102 K N . 16781 1
486 . 1 1 111 111 ALA H H 1 7.704 0.01 . 1 . . . . 103 A H . 16781 1
487 . 1 1 111 111 ALA C C 13 176.56 0.2 . 1 . . . . 103 A C . 16781 1
488 . 1 1 111 111 ALA CA C 13 53.37 0.2 . 1 . . . . 103 A CA . 16781 1
489 . 1 1 111 111 ALA CB C 13 19.15 0.2 . 1 . . . . 103 A CB . 16781 1
490 . 1 1 111 111 ALA N N 15 118.22 0.2 . 1 . . . . 103 A N . 16781 1
491 . 1 1 112 112 CYS H H 1 7.141 0.01 . 1 . . . . 104 C H . 16781 1
492 . 1 1 112 112 CYS C C 13 176.57 0.2 . 1 . . . . 104 C C . 16781 1
493 . 1 1 112 112 CYS CA C 13 61.78 0.2 . 1 . . . . 104 C CA . 16781 1
494 . 1 1 112 112 CYS CB C 13 28.81 0.2 . 1 . . . . 104 C CB . 16781 1
495 . 1 1 112 112 CYS N N 15 109.29 0.2 . 1 . . . . 104 C N . 16781 1
496 . 1 1 113 113 GLY H H 1 7.647 0.01 . 1 . . . . 105 G H . 16781 1
497 . 1 1 113 113 GLY C C 13 179.53 0.2 . 1 . . . . 105 G C . 16781 1
498 . 1 1 113 113 GLY CA C 13 49.07 0.2 . 1 . . . . 105 G CA . 16781 1
499 . 1 1 113 113 GLY N N 15 108.10 0.2 . 1 . . . . 105 G N . 16781 1
500 . 1 1 114 114 PRO C C 13 175.89 0.2 . 1 . . . . 106 P C . 16781 1
501 . 1 1 114 114 PRO CA C 13 65.47 0.2 . 1 . . . . 106 P CA . 16781 1
502 . 1 1 114 114 PRO CB C 13 33.14 0.2 . 1 . . . . 106 P CB . 16781 1
503 . 1 1 115 115 LEU H H 1 6.631 0.01 . 1 . . . . 107 L H . 16781 1
504 . 1 1 115 115 LEU C C 13 174.64 0.2 . 1 . . . . 107 L C . 16781 1
505 . 1 1 115 115 LEU CA C 13 57.43 0.2 . 1 . . . . 107 L CA . 16781 1
506 . 1 1 115 115 LEU CB C 13 39.79 0.2 . 1 . . . . 107 L CB . 16781 1
507 . 1 1 115 115 LEU N N 15 112.64 0.2 . 1 . . . . 107 L N . 16781 1
508 . 1 1 116 116 VAL H H 1 7.749 0.01 . 1 . . . . 108 V H . 16781 1
509 . 1 1 116 116 VAL C C 13 173.87 0.2 . 1 . . . . 108 V C . 16781 1
510 . 1 1 116 116 VAL CA C 13 66.45 0.2 . 1 . . . . 108 V CA . 16781 1
511 . 1 1 116 116 VAL CB C 13 31.65 0.2 . 1 . . . . 108 V CB . 16781 1
512 . 1 1 116 116 VAL N N 15 119.69 0.2 . 1 . . . . 108 V N . 16781 1
513 . 1 1 117 117 LYS H H 1 7.681 0.01 . 1 . . . . 109 K H . 16781 1
514 . 1 1 117 117 LYS C C 13 174.62 0.2 . 1 . . . . 109 K C . 16781 1
515 . 1 1 117 117 LYS CA C 13 59.91 0.2 . 1 . . . . 109 K CA . 16781 1
516 . 1 1 117 117 LYS CB C 13 32.17 0.2 . 1 . . . . 109 K CB . 16781 1
517 . 1 1 117 117 LYS N N 15 122.31 0.2 . 1 . . . . 109 K N . 16781 1
518 . 1 1 118 118 TRP H H 1 8.474 0.01 . 1 . . . . 110 W H . 16781 1
519 . 1 1 118 118 TRP C C 13 177.35 0.2 . 1 . . . . 110 W C . 16781 1
520 . 1 1 118 118 TRP CA C 13 63.02 0.2 . 1 . . . . 110 W CA . 16781 1
521 . 1 1 118 118 TRP CB C 13 28.50 0.2 . 1 . . . . 110 W CB . 16781 1
522 . 1 1 118 118 TRP N N 15 120.22 0.2 . 1 . . . . 110 W N . 16781 1
523 . 1 1 119 119 ALA H H 1 8.825 0.01 . 1 . . . . 111 A H . 16781 1
524 . 1 1 119 119 ALA C C 13 173.15 0.2 . 1 . . . . 111 A C . 16781 1
525 . 1 1 119 119 ALA CA C 13 55.50 0.2 . 1 . . . . 111 A CA . 16781 1
526 . 1 1 119 119 ALA CB C 13 17.80 0.2 . 1 . . . . 111 A CB . 16781 1
527 . 1 1 119 119 ALA N N 15 121.48 0.2 . 1 . . . . 111 A N . 16781 1
528 . 1 1 120 120 THR H H 1 8.057 0.01 . 1 . . . . 112 T H . 16781 1
529 . 1 1 120 120 THR C C 13 178.29 0.2 . 1 . . . . 112 T C . 16781 1
530 . 1 1 120 120 THR CA C 13 66.94 0.2 . 1 . . . . 112 T CA . 16781 1
531 . 1 1 120 120 THR CB C 13 69.16 0.2 . 1 . . . . 112 T CB . 16781 1
532 . 1 1 120 120 THR N N 15 113.58 0.2 . 1 . . . . 112 T N . 16781 1
533 . 1 1 121 121 ALA H H 1 7.907 0.01 . 1 . . . . 113 A H . 16781 1
534 . 1 1 121 121 ALA C C 13 172.80 0.2 . 1 . . . . 113 A C . 16781 1
535 . 1 1 121 121 ALA CA C 13 55.19 0.2 . 1 . . . . 113 A CA . 16781 1
536 . 1 1 121 121 ALA CB C 13 18.14 0.2 . 1 . . . . 113 A CB . 16781 1
537 . 1 1 121 121 ALA N N 15 123.41 0.2 . 1 . . . . 113 A N . 16781 1
538 . 1 1 122 122 GLN H H 1 8.164 0.01 . 1 . . . . 114 Q H . 16781 1
539 . 1 1 122 122 GLN C C 13 175.41 0.2 . 1 . . . . 114 Q C . 16781 1
540 . 1 1 122 122 GLN CA C 13 58.49 0.2 . 1 . . . . 114 Q CA . 16781 1
541 . 1 1 122 122 GLN CB C 13 28.00 0.2 . 1 . . . . 114 Q CB . 16781 1
542 . 1 1 122 122 GLN N N 15 115.92 0.2 . 1 . . . . 114 Q N . 16781 1
543 . 1 1 123 123 THR H H 1 7.353 0.01 . 1 . . . . 115 T H . 16781 1
544 . 1 1 123 123 THR C C 13 176.71 0.2 . 1 . . . . 115 T C . 16781 1
545 . 1 1 123 123 THR CA C 13 67.98 0.2 . 1 . . . . 115 T CA . 16781 1
546 . 1 1 123 123 THR N N 15 115.36 0.2 . 1 . . . . 115 T N . 16781 1
547 . 1 1 124 124 TYR H H 1 7.594 0.01 . 1 . . . . 116 Y H . 16781 1
548 . 1 1 124 124 TYR C C 13 175.49 0.2 . 1 . . . . 116 Y C . 16781 1
549 . 1 1 124 124 TYR CA C 13 60.27 0.2 . 1 . . . . 116 Y CA . 16781 1
550 . 1 1 124 124 TYR CB C 13 37.37 0.2 . 1 . . . . 116 Y CB . 16781 1
551 . 1 1 124 124 TYR N N 15 121.16 0.2 . 1 . . . . 116 Y N . 16781 1
552 . 1 1 125 125 TYR H H 1 8.274 0.01 . 1 . . . . 117 Y H . 16781 1
553 . 1 1 125 125 TYR C C 13 176.55 0.2 . 1 . . . . 117 Y C . 16781 1
554 . 1 1 125 125 TYR CA C 13 58.33 0.2 . 1 . . . . 117 Y CA . 16781 1
555 . 1 1 125 125 TYR CB C 13 38.41 0.2 . 1 . . . . 117 Y CB . 16781 1
556 . 1 1 125 125 TYR N N 15 120.07 0.2 . 1 . . . . 117 Y N . 16781 1
557 . 1 1 126 126 SER H H 1 8.259 0.01 . 1 . . . . 118 S H . 16781 1
558 . 1 1 126 126 SER C C 13 177.62 0.2 . 1 . . . . 118 S C . 16781 1
559 . 1 1 126 126 SER CA C 13 60.81 0.2 . 1 . . . . 118 S CA . 16781 1
560 . 1 1 126 126 SER CB C 13 63.53 0.2 . 1 . . . . 118 S CB . 16781 1
561 . 1 1 126 126 SER N N 15 112.90 0.2 . 1 . . . . 118 S N . 16781 1
562 . 1 1 127 127 GLU H H 1 7.281 0.01 . 1 . . . . 119 E H . 16781 1
563 . 1 1 127 127 GLU C C 13 174.88 0.2 . 1 . . . . 119 E C . 16781 1
564 . 1 1 127 127 GLU CA C 13 59.49 0.2 . 1 . . . . 119 E CA . 16781 1
565 . 1 1 127 127 GLU CB C 13 29.45 0.2 . 1 . . . . 119 E CB . 16781 1
566 . 1 1 127 127 GLU N N 15 119.18 0.2 . 1 . . . . 119 E N . 16781 1
567 . 1 1 128 128 ILE H H 1 7.281 0.01 . 1 . . . . 120 I H . 16781 1
568 . 1 1 128 128 ILE C C 13 174.41 0.2 . 1 . . . . 120 I C . 16781 1
569 . 1 1 128 128 ILE CA C 13 64.16 0.2 . 1 . . . . 120 I CA . 16781 1
570 . 1 1 128 128 ILE CB C 13 37.68 0.2 . 1 . . . . 120 I CB . 16781 1
571 . 1 1 128 128 ILE N N 15 119.18 0.2 . 1 . . . . 120 I N . 16781 1
572 . 1 1 129 129 LEU H H 1 8.087 0.01 . 1 . . . . 121 L H . 16781 1
573 . 1 1 129 129 LEU C C 13 174.40 0.2 . 1 . . . . 121 L C . 16781 1
574 . 1 1 129 129 LEU CA C 13 57.03 0.2 . 1 . . . . 121 L CA . 16781 1
575 . 1 1 129 129 LEU CB C 13 41.71 0.2 . 1 . . . . 121 L CB . 16781 1
576 . 1 1 129 129 LEU N N 15 120.93 0.2 . 1 . . . . 121 L N . 16781 1
577 . 1 1 130 130 ASP H H 1 7.556 0.01 . 1 . . . . 122 D H . 16781 1
578 . 1 1 130 130 ASP C C 13 176.79 0.2 . 1 . . . . 122 D C . 16781 1
579 . 1 1 130 130 ASP CA C 13 55.29 0.2 . 1 . . . . 122 D CA . 16781 1
580 . 1 1 130 130 ASP CB C 13 41.08 0.2 . 1 . . . . 122 D CB . 16781 1
581 . 1 1 130 130 ASP N N 15 118.09 0.2 . 1 . . . . 122 D N . 16781 1
582 . 1 1 131 131 ARG H H 1 7.427 0.01 . 1 . . . . 123 R H . 16781 1
583 . 1 1 131 131 ARG C C 13 176.78 0.2 . 1 . . . . 123 R C . 16781 1
584 . 1 1 131 131 ARG CA C 13 56.98 0.2 . 1 . . . . 123 R CA . 16781 1
585 . 1 1 131 131 ARG CB C 13 30.68 0.2 . 1 . . . . 123 R CB . 16781 1
586 . 1 1 131 131 ARG N N 15 118.20 0.2 . 1 . . . . 123 R N . 16781 1
587 . 1 1 132 132 ILE H H 1 7.655 0.01 . 1 . . . . 124 I H . 16781 1
588 . 1 1 132 132 ILE C C 13 177.69 0.2 . 1 . . . . 124 I C . 16781 1
589 . 1 1 132 132 ILE CA C 13 61.67 0.2 . 1 . . . . 124 I CA . 16781 1
590 . 1 1 132 132 ILE CB C 13 38.25 0.2 . 1 . . . . 124 I CB . 16781 1
591 . 1 1 132 132 ILE N N 15 120.02 0.2 . 1 . . . . 124 I N . 16781 1
592 . 1 1 133 133 LYS H H 1 8.059 0.01 . 1 . . . . 125 K H . 16781 1
593 . 1 1 133 133 LYS C C 13 180.13 0.2 . 1 . . . . 125 K C . 16781 1
594 . 1 1 133 133 LYS CA C 13 53.87 0.2 . 1 . . . . 125 K CA . 16781 1
595 . 1 1 133 133 LYS CB C 13 32.42 0.2 . 1 . . . . 125 K CB . 16781 1
596 . 1 1 133 133 LYS N N 15 127.04 0.2 . 1 . . . . 125 K N . 16781 1
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