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 52828
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SN1 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
2 '3D HNCO' . . . 52828 1
3 '3D HNCA' . . . 52828 1
4 '3D HNCACO' . . . 52828 1
5 '3D HNCB' . . . 52828 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 . . 52828 1
2 $software_2 . . 52828 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET H H 1 8.382 0.001 . 1 . . . . . 7 M H . 52828 1
2 . 1 . 1 1 1 MET C C 13 176.137 0.001 . 1 . . . . . 7 M CO . 52828 1
3 . 1 . 1 1 1 MET CA C 13 55.547 0.084 . 1 . . . . . 7 M CA . 52828 1
4 . 1 . 1 1 1 MET CB C 13 33.100 0.011 . 1 . . . . . 7 M CB . 52828 1
5 . 1 . 1 1 1 MET N N 15 122.513 0.056 . 1 . . . . . 7 M N . 52828 1
6 . 1 . 1 2 2 ARG H H 1 8.442 0.000 . 1 . . . . . 8 R H . 52828 1
7 . 1 . 1 2 2 ARG C C 13 176.185 0.012 . 1 . . . . . 8 R CO . 52828 1
8 . 1 . 1 2 2 ARG CA C 13 56.748 0.008 . 1 . . . . . 8 R CA . 52828 1
9 . 1 . 1 2 2 ARG CB C 13 30.635 0.008 . 1 . . . . . 8 R CB . 52828 1
10 . 1 . 1 2 2 ARG N N 15 123.123 0.059 . 1 . . . . . 8 R N . 52828 1
11 . 1 . 1 3 3 ASN H H 1 8.534 0.001 . 1 . . . . . 9 N H . 52828 1
12 . 1 . 1 3 3 ASN C C 13 175.607 0.010 . 1 . . . . . 9 N CO . 52828 1
13 . 1 . 1 3 3 ASN CA C 13 53.482 0.010 . 1 . . . . . 9 N CA . 52828 1
14 . 1 . 1 3 3 ASN CB C 13 38.721 0.036 . 1 . . . . . 9 N CB . 52828 1
15 . 1 . 1 3 3 ASN N N 15 120.828 0.056 . 1 . . . . . 9 N N . 52828 1
16 . 1 . 1 4 4 GLU H H 1 8.524 0.001 . 1 . . . . . 10 E H . 52828 1
17 . 1 . 1 4 4 GLU C C 13 177.462 0.018 . 1 . . . . . 10 E CO . 52828 1
18 . 1 . 1 4 4 GLU CA C 13 58.327 0.070 . 1 . . . . . 10 E CA . 52828 1
19 . 1 . 1 4 4 GLU CB C 13 29.807 0.000 . 1 . . . . . 10 E CB . 52828 1
20 . 1 . 1 4 4 GLU N N 15 122.475 0.058 . 1 . . . . . 10 E N . 52828 1
21 . 1 . 1 5 5 LEU H H 1 8.072 0.002 . 1 . . . . . 11 L H . 52828 1
22 . 1 . 1 5 5 LEU C C 13 178.613 0.025 . 1 . . . . . 11 L CO . 52828 1
23 . 1 . 1 5 5 LEU CA C 13 56.614 0.078 . 1 . . . . . 11 L CA . 52828 1
24 . 1 . 1 5 5 LEU CB C 13 41.761 0.012 . 1 . . . . . 11 L CB . 52828 1
25 . 1 . 1 5 5 LEU N N 15 121.718 0.058 . 1 . . . . . 11 L N . 52828 1
26 . 1 . 1 6 6 GLU H H 1 8.089 0.002 . 1 . . . . . 12 E H . 52828 1
27 . 1 . 1 6 6 GLU C C 13 178.074 0.021 . 1 . . . . . 12 E CO . 52828 1
28 . 1 . 1 6 6 GLU CA C 13 58.057 0.000 . 1 . . . . . 12 E CA . 52828 1
29 . 1 . 1 6 6 GLU CB C 13 30.063 0.000 . 1 . . . . . 12 E CB . 52828 1
30 . 1 . 1 6 6 GLU N N 15 121.094 0.063 . 1 . . . . . 12 E N . 52828 1
31 . 1 . 1 7 7 GLU H H 1 8.167 0.001 . 1 . . . . . 13 E H . 52828 1
32 . 1 . 1 7 7 GLU C C 13 177.891 0.000 . 1 . . . . . 13 E CO . 52828 1
33 . 1 . 1 7 7 GLU CA C 13 58.093 0.005 . 1 . . . . . 13 E CA . 52828 1
34 . 1 . 1 7 7 GLU CB C 13 29.697 0.051 . 1 . . . . . 13 E CB . 52828 1
35 . 1 . 1 7 7 GLU N N 15 121.126 0.070 . 1 . . . . . 13 E N . 52828 1
36 . 1 . 1 8 8 MET H H 1 8.123 0.001 . 1 . . . . . 14 M H . 52828 1
37 . 1 . 1 8 8 MET C C 13 177.675 0.018 . 1 . . . . . 14 M CO . 52828 1
38 . 1 . 1 8 8 MET CA C 13 57.272 0.000 . 1 . . . . . 14 M CA . 52828 1
39 . 1 . 1 8 8 MET CB C 13 32.528 0.002 . 1 . . . . . 14 M CB . 52828 1
40 . 1 . 1 8 8 MET N N 15 120.196 0.054 . 1 . . . . . 14 M N . 52828 1
41 . 1 . 1 9 9 GLN H H 1 8.109 0.002 . 1 . . . . . 15 Q H . 52828 1
42 . 1 . 1 9 9 GLN C C 13 176.732 0.005 . 1 . . . . . 15 Q CO . 52828 1
43 . 1 . 1 9 9 GLN CA C 13 57.174 0.037 . 1 . . . . . 15 Q CA . 52828 1
44 . 1 . 1 9 9 GLN CB C 13 28.893 0.090 . 1 . . . . . 15 Q CB . 52828 1
45 . 1 . 1 9 9 GLN N N 15 121.032 0.084 . 1 . . . . . 15 Q N . 52828 1
46 . 1 . 1 10 10 ARG H H 1 8.078 0.002 . 1 . . . . . 16 R H . 52828 1
47 . 1 . 1 10 10 ARG C C 13 177.450 0.028 . 1 . . . . . 16 R CO . 52828 1
48 . 1 . 1 10 10 ARG CA C 13 57.642 0.009 . 1 . . . . . 16 R CA . 52828 1
49 . 1 . 1 10 10 ARG CB C 13 30.532 0.000 . 1 . . . . . 16 R CB . 52828 1
50 . 1 . 1 10 10 ARG N N 15 121.585 0.047 . 1 . . . . . 16 R N . 52828 1
51 . 1 . 1 11 11 ARG H H 1 8.107 0.002 . 1 . . . . . 17 R H . 52828 1
52 . 1 . 1 11 11 ARG C C 13 177.213 0.037 . 1 . . . . . 17 R CO . 52828 1
53 . 1 . 1 11 11 ARG CA C 13 57.161 0.000 . 1 . . . . . 17 R CA . 52828 1
54 . 1 . 1 11 11 ARG CB C 13 30.306 0.138 . 1 . . . . . 17 R CB . 52828 1
55 . 1 . 1 11 11 ARG N N 15 121.561 0.077 . 1 . . . . . 17 R N . 52828 1
56 . 1 . 1 12 12 ALA H H 1 8.159 0.002 . 1 . . . . . 18 A H . 52828 1
57 . 1 . 1 12 12 ALA C C 13 178.643 0.043 . 1 . . . . . 18 A CO . 52828 1
58 . 1 . 1 12 12 ALA CA C 13 53.755 0.058 . 1 . . . . . 18 A CA . 52828 1
59 . 1 . 1 12 12 ALA CB C 13 18.656 0.048 . 1 . . . . . 18 A CB . 52828 1
60 . 1 . 1 12 12 ALA N N 15 124.619 0.069 . 1 . . . . . 18 A N . 52828 1
61 . 1 . 1 13 13 ASP H H 1 8.229 0.001 . 1 . . . . . 19 D H . 52828 1
62 . 1 . 1 13 13 ASP C C 13 176.857 0.010 . 1 . . . . . 19 D CO . 52828 1
63 . 1 . 1 13 13 ASP CA C 13 55.163 0.041 . 1 . . . . . 19 D CA . 52828 1
64 . 1 . 1 13 13 ASP CB C 13 40.683 0.015 . 1 . . . . . 19 D CB . 52828 1
65 . 1 . 1 13 13 ASP N N 15 119.290 0.058 . 1 . . . . . 19 D N . 52828 1
66 . 1 . 1 14 14 GLN H H 1 7.984 0.000 . 1 . . . . . 20 Q H . 52828 1
67 . 1 . 1 14 14 GLN C C 13 176.589 0.018 . 1 . . . . . 20 Q CO . 52828 1
68 . 1 . 1 14 14 GLN CA C 13 56.663 0.001 . 1 . . . . . 20 Q CA . 52828 1
69 . 1 . 1 14 14 GLN CB C 13 28.942 0.162 . 1 . . . . . 20 Q CB . 52828 1
70 . 1 . 1 14 14 GLN N N 15 120.391 0.051 . 1 . . . . . 20 Q N . 52828 1
71 . 1 . 1 15 15 LEU H H 1 8.072 0.001 . 1 . . . . . 21 L H . 52828 1
72 . 1 . 1 15 15 LEU C C 13 177.686 0.037 . 1 . . . . . 21 L CO . 52828 1
73 . 1 . 1 15 15 LEU CA C 13 55.684 0.001 . 1 . . . . . 21 L CA . 52828 1
74 . 1 . 1 15 15 LEU CB C 13 42.089 0.082 . 1 . . . . . 21 L CB . 52828 1
75 . 1 . 1 15 15 LEU N N 15 122.748 0.070 . 1 . . . . . 21 L N . 52828 1
76 . 1 . 1 16 16 ALA H H 1 8.064 0.003 . 1 . . . . . 22 A H . 52828 1
77 . 1 . 1 16 16 ALA C C 13 177.924 0.013 . 1 . . . . . 22 A CO . 52828 1
78 . 1 . 1 16 16 ALA CA C 13 52.980 0.015 . 1 . . . . . 22 A CA . 52828 1
79 . 1 . 1 16 16 ALA CB C 13 19.003 0.004 . 1 . . . . . 22 A CB . 52828 1
80 . 1 . 1 16 16 ALA N N 15 124.651 0.070 . 1 . . . . . 22 A N . 52828 1
81 . 1 . 1 17 17 ASP H H 1 8.120 0.001 . 1 . . . . . 23 D H . 52828 1
82 . 1 . 1 17 17 ASP C C 13 177.055 0.025 . 1 . . . . . 23 D CO . 52828 1
83 . 1 . 1 17 17 ASP CA C 13 54.857 0.010 . 1 . . . . . 23 D CA . 52828 1
84 . 1 . 1 17 17 ASP CB C 13 41.142 0.016 . 1 . . . . . 23 D CB . 52828 1
85 . 1 . 1 17 17 ASP N N 15 120.320 0.050 . 1 . . . . . 23 D N . 52828 1
86 . 1 . 1 18 18 GLU H H 1 8.406 0.001 . 1 . . . . . 24 E H . 52828 1
87 . 1 . 1 18 18 GLU C C 13 177.325 0.011 . 1 . . . . . 24 E CO . 52828 1
88 . 1 . 1 18 18 GLU CA C 13 57.516 0.031 . 1 . . . . . 24 E CA . 52828 1
89 . 1 . 1 18 18 GLU CB C 13 29.741 0.006 . 1 . . . . . 24 E CB . 52828 1
90 . 1 . 1 18 18 GLU N N 15 122.656 0.057 . 1 . . . . . 24 E N . 52828 1
91 . 1 . 1 19 19 SER H H 1 8.314 0.001 . 1 . . . . . 25 S H . 52828 1
92 . 1 . 1 19 19 SER C C 13 175.471 0.013 . 1 . . . . . 25 S CO . 52828 1
93 . 1 . 1 19 19 SER CA C 13 59.431 0.023 . 1 . . . . . 25 S CA . 52828 1
94 . 1 . 1 19 19 SER CB C 13 63.705 0.050 . 1 . . . . . 25 S CB . 52828 1
95 . 1 . 1 19 19 SER N N 15 117.062 0.053 . 1 . . . . . 25 S N . 52828 1
96 . 1 . 1 20 20 LEU H H 1 8.057 0.002 . 1 . . . . . 26 L H . 52828 1
97 . 1 . 1 20 20 LEU C C 13 178.409 0.010 . 1 . . . . . 26 L CO . 52828 1
98 . 1 . 1 20 20 LEU CA C 13 56.424 0.009 . 1 . . . . . 26 L CA . 52828 1
99 . 1 . 1 20 20 LEU CB C 13 42.052 0.046 . 1 . . . . . 26 L CB . 52828 1
100 . 1 . 1 20 20 LEU N N 15 124.551 0.066 . 1 . . . . . 26 L N . 52828 1
101 . 1 . 1 21 21 GLU H H 1 8.299 0.001 . 1 . . . . . 27 E H . 52828 1
102 . 1 . 1 21 21 GLU C C 13 177.867 0.003 . 1 . . . . . 27 E CO . 52828 1
103 . 1 . 1 21 21 GLU CA C 13 58.152 0.026 . 1 . . . . . 27 E CA . 52828 1
104 . 1 . 1 21 21 GLU CB C 13 29.505 0.096 . 1 . . . . . 27 E CB . 52828 1
105 . 1 . 1 21 21 GLU N N 15 121.227 0.063 . 1 . . . . . 27 E N . 52828 1
106 . 1 . 1 22 22 SER H H 1 8.190 0.001 . 1 . . . . . 28 S H . 52828 1
107 . 1 . 1 22 22 SER C C 13 176.177 0.010 . 1 . . . . . 28 S CO . 52828 1
108 . 1 . 1 22 22 SER CA C 13 60.210 0.032 . 1 . . . . . 28 S CA . 52828 1
109 . 1 . 1 22 22 SER CB C 13 63.093 0.072 . 1 . . . . . 28 S CB . 52828 1
110 . 1 . 1 22 22 SER N N 15 116.119 0.057 . 1 . . . . . 28 S N . 52828 1
111 . 1 . 1 23 23 THR H H 1 7.959 0.000 . 1 . . . . . 29 T H . 52828 1
112 . 1 . 1 23 23 THR C C 13 175.454 0.003 . 1 . . . . . 29 T CO . 52828 1
113 . 1 . 1 23 23 THR CA C 13 64.327 0.014 . 1 . . . . . 29 T CA . 52828 1
114 . 1 . 1 23 23 THR CB C 13 69.217 0.021 . 1 . . . . . 29 T CB . 52828 1
115 . 1 . 1 23 23 THR N N 15 117.401 0.057 . 1 . . . . . 29 T N . 52828 1
116 . 1 . 1 24 24 ARG H H 1 8.071 0.001 . 1 . . . . . 30 R H . 52828 1
117 . 1 . 1 24 24 ARG C C 13 177.607 0.032 . 1 . . . . . 30 R CO . 52828 1
118 . 1 . 1 24 24 ARG CA C 13 58.117 0.011 . 1 . . . . . 30 R CA . 52828 1
119 . 1 . 1 24 24 ARG CB C 13 29.922 0.000 . 1 . . . . . 30 R CB . 52828 1
120 . 1 . 1 24 24 ARG N N 15 122.874 0.094 . 1 . . . . . 30 R N . 52828 1
121 . 1 . 1 25 25 ARG H H 1 8.088 0.003 . 1 . . . . . 31 R H . 52828 1
122 . 1 . 1 25 25 ARG C C 13 177.319 0.019 . 1 . . . . . 31 R CO . 52828 1
123 . 1 . 1 25 25 ARG CA C 13 57.549 0.000 . 1 . . . . . 31 R CA . 52828 1
124 . 1 . 1 25 25 ARG CB C 13 30.130 0.038 . 1 . . . . . 31 R CB . 52828 1
125 . 1 . 1 25 25 ARG N N 15 120.970 0.058 . 1 . . . . . 31 R N . 52828 1
126 . 1 . 1 26 26 MET H H 1 8.055 0.001 . 1 . . . . . 32 M H . 52828 1
127 . 1 . 1 26 26 MET C C 13 177.110 0.044 . 1 . . . . . 32 M CO . 52828 1
128 . 1 . 1 26 26 MET CA C 13 56.716 0.084 . 1 . . . . . 32 M CA . 52828 1
129 . 1 . 1 26 26 MET CB C 13 32.614 0.077 . 1 . . . . . 32 M CB . 52828 1
130 . 1 . 1 26 26 MET N N 15 120.621 0.064 . 1 . . . . . 32 M N . 52828 1
131 . 1 . 1 27 27 LEU H H 1 8.031 0.002 . 1 . . . . . 33 L H . 52828 1
132 . 1 . 1 27 27 LEU C C 13 177.905 0.020 . 1 . . . . . 33 L CO . 52828 1
133 . 1 . 1 27 27 LEU CA C 13 56.133 0.000 . 1 . . . . . 33 L CA . 52828 1
134 . 1 . 1 27 27 LEU CB C 13 42.249 0.019 . 1 . . . . . 33 L CB . 52828 1
135 . 1 . 1 27 27 LEU N N 15 122.135 0.062 . 1 . . . . . 33 L N . 52828 1
136 . 1 . 1 28 28 GLN H H 1 8.058 0.001 . 1 . . . . . 34 Q H . 52828 1
137 . 1 . 1 28 28 GLN C C 13 176.305 0.013 . 1 . . . . . 34 Q CO . 52828 1
138 . 1 . 1 28 28 GLN CA C 13 56.356 0.000 . 1 . . . . . 34 Q CA . 52828 1
139 . 1 . 1 28 28 GLN CB C 13 28.982 0.028 . 1 . . . . . 34 Q CB . 52828 1
140 . 1 . 1 28 28 GLN N N 15 120.725 0.060 . 1 . . . . . 34 Q N . 52828 1
141 . 1 . 1 29 29 LEU H H 1 8.032 0.001 . 1 . . . . . 35 L H . 52828 1
142 . 1 . 1 29 29 LEU C C 13 178.019 0.016 . 1 . . . . . 35 L CO . 52828 1
143 . 1 . 1 29 29 LEU CA C 13 55.880 0.057 . 1 . . . . . 35 L CA . 52828 1
144 . 1 . 1 29 29 LEU CB C 13 42.239 0.002 . 1 . . . . . 35 L CB . 52828 1
145 . 1 . 1 29 29 LEU N N 15 122.913 0.059 . 1 . . . . . 35 L N . 52828 1
146 . 1 . 1 30 30 VAL H H 1 7.970 0.000 . 1 . . . . . 36 V H . 52828 1
147 . 1 . 1 30 30 VAL C C 13 176.745 0.013 . 1 . . . . . 36 V CO . 52828 1
148 . 1 . 1 30 30 VAL CA C 13 63.266 0.031 . 1 . . . . . 36 V CA . 52828 1
149 . 1 . 1 30 30 VAL CB C 13 32.691 0.107 . 1 . . . . . 36 V CB . 52828 1
150 . 1 . 1 30 30 VAL N N 15 121.365 0.058 . 1 . . . . . 36 V N . 52828 1
151 . 1 . 1 31 31 GLU H H 1 8.288 0.000 . 1 . . . . . 37 E H . 52828 1
152 . 1 . 1 31 31 GLU C C 13 176.988 0.015 . 1 . . . . . 37 E CO . 52828 1
153 . 1 . 1 31 31 GLU CA C 13 57.136 0.000 . 1 . . . . . 37 E CA . 52828 1
154 . 1 . 1 31 31 GLU CB C 13 30.152 0.000 . 1 . . . . . 37 E CB . 52828 1
155 . 1 . 1 31 31 GLU N N 15 124.518 0.054 . 1 . . . . . 37 E N . 52828 1
156 . 1 . 1 32 32 GLU H H 1 8.374 0.001 . 1 . . . . . 38 E H . 52828 1
157 . 1 . 1 32 32 GLU C C 13 176.904 0.010 . 1 . . . . . 38 E CO . 52828 1
158 . 1 . 1 32 32 GLU CA C 13 57.058 0.040 . 1 . . . . . 38 E CA . 52828 1
159 . 1 . 1 32 32 GLU CB C 13 30.221 0.043 . 1 . . . . . 38 E CB . 52828 1
160 . 1 . 1 32 32 GLU N N 15 122.308 0.082 . 1 . . . . . 38 E N . 52828 1
161 . 1 . 1 33 33 SER H H 1 8.216 0.001 . 1 . . . . . 39 S H . 52828 1
162 . 1 . 1 33 33 SER C C 13 175.015 0.017 . 1 . . . . . 39 S CO . 52828 1
163 . 1 . 1 33 33 SER CA C 13 58.767 0.026 . 1 . . . . . 39 S CA . 52828 1
164 . 1 . 1 33 33 SER CB C 13 63.748 0.002 . 1 . . . . . 39 S CB . 52828 1
165 . 1 . 1 33 33 SER N N 15 117.194 0.059 . 1 . . . . . 39 S N . 52828 1
166 . 1 . 1 34 34 LYS H H 1 8.232 0.000 . 1 . . . . . 40 K H . 52828 1
167 . 1 . 1 34 34 LYS C C 13 176.611 0.008 . 1 . . . . . 40 K CO . 52828 1
168 . 1 . 1 34 34 LYS CA C 13 56.894 0.021 . 1 . . . . . 40 K CA . 52828 1
169 . 1 . 1 34 34 LYS CB C 13 32.707 0.041 . 1 . . . . . 40 K CB . 52828 1
170 . 1 . 1 34 34 LYS N N 15 124.144 0.055 . 1 . . . . . 40 K N . 52828 1
171 . 1 . 1 35 35 ASP H H 1 8.186 0.001 . 1 . . . . . 41 D H . 52828 1
172 . 1 . 1 35 35 ASP C C 13 176.124 0.015 . 1 . . . . . 41 D CO . 52828 1
173 . 1 . 1 35 35 ASP CA C 13 54.572 0.039 . 1 . . . . . 41 D CA . 52828 1
174 . 1 . 1 35 35 ASP CB C 13 41.321 0.013 . 1 . . . . . 41 D CB . 52828 1
175 . 1 . 1 35 35 ASP N N 15 121.381 0.057 . 1 . . . . . 41 D N . 52828 1
176 . 1 . 1 36 36 ALA H H 1 8.139 0.001 . 1 . . . . . 42 A H . 52828 1
177 . 1 . 1 36 36 ALA C C 13 178.429 0.011 . 1 . . . . . 42 A CO . 52828 1
178 . 1 . 1 36 36 ALA CA C 13 53.102 0.026 . 1 . . . . . 42 A CA . 52828 1
179 . 1 . 1 36 36 ALA CB C 13 19.062 0.042 . 1 . . . . . 42 A CB . 52828 1
180 . 1 . 1 36 36 ALA N N 15 125.199 0.058 . 1 . . . . . 42 A N . 52828 1
181 . 1 . 1 37 37 GLY H H 1 8.337 0.001 . 1 . . . . . 43 G H . 52828 1
182 . 1 . 1 37 37 GLY C C 13 174.310 0.008 . 1 . . . . . 43 G CO . 52828 1
183 . 1 . 1 37 37 GLY CA C 13 45.478 0.011 . 1 . . . . . 43 G CA . 52828 1
184 . 1 . 1 37 37 GLY N N 15 108.169 0.049 . 1 . . . . . 43 G N . 52828 1
185 . 1 . 1 38 38 ILE H H 1 7.831 0.000 . 1 . . . . . 44 I H . 52828 1
186 . 1 . 1 38 38 ILE C C 13 176.437 0.008 . 1 . . . . . 44 I CO . 52828 1
187 . 1 . 1 38 38 ILE CA C 13 61.404 0.035 . 1 . . . . . 44 I CA . 52828 1
188 . 1 . 1 38 38 ILE CB C 13 38.630 0.038 . 1 . . . . . 44 I CB . 52828 1
189 . 1 . 1 38 38 ILE N N 15 120.683 0.054 . 1 . . . . . 44 I N . 52828 1
190 . 1 . 1 39 39 ARG H H 1 8.327 0.001 . 1 . . . . . 45 R H . 52828 1
191 . 1 . 1 39 39 ARG C C 13 176.324 0.012 . 1 . . . . . 45 R CO . 52828 1
192 . 1 . 1 39 39 ARG CA C 13 56.151 0.014 . 1 . . . . . 45 R CA . 52828 1
193 . 1 . 1 39 39 ARG CB C 13 30.794 0.009 . 1 . . . . . 45 R CB . 52828 1
194 . 1 . 1 39 39 ARG N N 15 125.535 0.059 . 1 . . . . . 45 R N . 52828 1
195 . 1 . 1 40 40 THR H H 1 8.088 0.001 . 1 . . . . . 46 T H . 52828 1
196 . 1 . 1 40 40 THR C C 13 174.207 0.005 . 1 . . . . . 46 T CO . 52828 1
197 . 1 . 1 40 40 THR CA C 13 62.100 0.014 . 1 . . . . . 46 T CA . 52828 1
198 . 1 . 1 40 40 THR CB C 13 69.780 0.010 . 1 . . . . . 46 T CB . 52828 1
199 . 1 . 1 40 40 THR N N 15 116.741 0.053 . 1 . . . . . 46 T N . 52828 1
200 . 1 . 1 41 41 LEU H H 1 8.181 0.000 . 1 . . . . . 47 L H . 52828 1
201 . 1 . 1 41 41 LEU C C 13 176.989 0.039 . 1 . . . . . 47 L CO . 52828 1
202 . 1 . 1 41 41 LEU CA C 13 55.310 0.059 . 1 . . . . . 47 L CA . 52828 1
203 . 1 . 1 41 41 LEU CB C 13 42.427 0.021 . 1 . . . . . 47 L CB . 52828 1
204 . 1 . 1 41 41 LEU N N 15 125.649 0.060 . 1 . . . . . 47 L N . 52828 1
205 . 1 . 1 42 42 VAL H H 1 8.042 0.003 . 1 . . . . . 48 V H . 52828 1
206 . 1 . 1 42 42 VAL C C 13 175.806 0.016 . 1 . . . . . 48 V CO . 52828 1
207 . 1 . 1 42 42 VAL CA C 13 62.413 0.011 . 1 . . . . . 48 V CA . 52828 1
208 . 1 . 1 42 42 VAL CB C 13 32.875 0.000 . 1 . . . . . 48 V CB . 52828 1
209 . 1 . 1 42 42 VAL N N 15 122.209 0.052 . 1 . . . . . 48 V N . 52828 1
210 . 1 . 1 43 43 MET H H 1 8.369 0.000 . 1 . . . . . 49 M H . 52828 1
211 . 1 . 1 43 43 MET C C 13 175.813 0.017 . 1 . . . . . 49 M CO . 52828 1
212 . 1 . 1 43 43 MET CA C 13 55.185 0.000 . 1 . . . . . 49 M CA . 52828 1
213 . 1 . 1 43 43 MET CB C 13 32.888 0.037 . 1 . . . . . 49 M CB . 52828 1
214 . 1 . 1 43 43 MET N N 15 125.284 0.070 . 1 . . . . . 49 M N . 52828 1
215 . 1 . 1 44 44 LEU H H 1 8.218 0.001 . 1 . . . . . 50 L H . 52828 1
216 . 1 . 1 44 44 LEU C C 13 177.118 0.013 . 1 . . . . . 50 L CO . 52828 1
217 . 1 . 1 44 44 LEU CA C 13 55.099 0.000 . 1 . . . . . 50 L CA . 52828 1
218 . 1 . 1 44 44 LEU CB C 13 42.858 0.060 . 1 . . . . . 50 L CB . 52828 1
219 . 1 . 1 44 44 LEU N N 15 124.409 0.088 . 1 . . . . . 50 L N . 52828 1
220 . 1 . 1 45 45 ASP H H 1 8.337 0.001 . 1 . . . . . 51 D H . 52828 1
221 . 1 . 1 45 45 ASP C C 13 176.613 0.018 . 1 . . . . . 51 D CO . 52828 1
222 . 1 . 1 45 45 ASP CA C 13 54.120 0.009 . 1 . . . . . 51 D CA . 52828 1
223 . 1 . 1 45 45 ASP CB C 13 41.263 0.000 . 1 . . . . . 51 D CB . 52828 1
224 . 1 . 1 45 45 ASP N N 15 121.775 0.068 . 1 . . . . . 51 D N . 52828 1
225 . 1 . 1 46 46 GLU H H 1 8.364 0.000 . 1 . . . . . 52 E H . 52828 1
226 . 1 . 1 46 46 GLU C C 13 176.825 0.019 . 1 . . . . . 52 E CO . 52828 1
227 . 1 . 1 46 46 GLU CA C 13 57.254 0.034 . 1 . . . . . 52 E CA . 52828 1
228 . 1 . 1 46 46 GLU CB C 13 29.899 0.093 . 1 . . . . . 52 E CB . 52828 1
229 . 1 . 1 46 46 GLU N N 15 121.553 0.055 . 1 . . . . . 52 E N . 52828 1
230 . 1 . 1 47 47 GLN H H 1 8.324 0.001 . 1 . . . . . 53 Q H . 52828 1
231 . 1 . 1 47 47 GLN C C 13 176.606 0.007 . 1 . . . . . 53 Q CO . 52828 1
232 . 1 . 1 47 47 GLN CA C 13 56.096 0.020 . 1 . . . . . 53 Q CA . 52828 1
233 . 1 . 1 47 47 GLN CB C 13 29.344 0.018 . 1 . . . . . 53 Q CB . 52828 1
234 . 1 . 1 47 47 GLN N N 15 120.813 0.057 . 1 . . . . . 53 Q N . 52828 1
235 . 1 . 1 48 48 GLY H H 1 8.248 0.001 . 1 . . . . . 54 G H . 52828 1
236 . 1 . 1 48 48 GLY C C 13 174.060 0.007 . 1 . . . . . 54 G CO . 52828 1
237 . 1 . 1 48 48 GLY CA C 13 45.403 0.019 . 1 . . . . . 54 G CA . 52828 1
238 . 1 . 1 48 48 GLY N N 15 110.059 0.050 . 1 . . . . . 54 G N . 52828 1
239 . 1 . 1 49 49 GLU H H 1 8.294 0.001 . 1 . . . . . 55 E H . 52828 1
240 . 1 . 1 49 49 GLU C C 13 176.484 0.020 . 1 . . . . . 55 E CO . 52828 1
241 . 1 . 1 49 49 GLU CA C 13 56.450 0.036 . 1 . . . . . 55 E CA . 52828 1
242 . 1 . 1 49 49 GLU CB C 13 30.346 0.100 . 1 . . . . . 55 E CB . 52828 1
243 . 1 . 1 49 49 GLU N N 15 121.443 0.049 . 1 . . . . . 55 E N . 52828 1
244 . 1 . 1 50 50 GLN H H 1 8.457 0.001 . 1 . . . . . 56 Q H . 52828 1
245 . 1 . 1 50 50 GLN C C 13 176.050 0.013 . 1 . . . . . 56 Q CO . 52828 1
246 . 1 . 1 50 50 GLN CA C 13 55.912 0.006 . 1 . . . . . 56 Q CA . 52828 1
247 . 1 . 1 50 50 GLN CB C 13 29.083 0.005 . 1 . . . . . 56 Q CB . 52828 1
248 . 1 . 1 50 50 GLN N N 15 122.172 0.061 . 1 . . . . . 56 Q N . 52828 1
249 . 1 . 1 51 51 LEU H H 1 8.248 0.000 . 1 . . . . . 57 L H . 52828 1
250 . 1 . 1 51 51 LEU C C 13 177.091 0.010 . 1 . . . . . 57 L CO . 52828 1
251 . 1 . 1 51 51 LEU CA C 13 55.419 0.000 . 1 . . . . . 57 L CA . 52828 1
252 . 1 . 1 51 51 LEU CB C 13 42.603 0.073 . 1 . . . . . 57 L CB . 52828 1
253 . 1 . 1 51 51 LEU N N 15 124.586 0.061 . 1 . . . . . 57 L N . 52828 1
254 . 1 . 1 52 52 ASP H H 1 8.316 0.002 . 1 . . . . . 58 D H . 52828 1
255 . 1 . 1 52 52 ASP C C 13 175.954 0.008 . 1 . . . . . 58 D CO . 52828 1
256 . 1 . 1 52 52 ASP CA C 13 54.309 0.031 . 1 . . . . . 58 D CA . 52828 1
257 . 1 . 1 52 52 ASP CB C 13 41.070 0.022 . 1 . . . . . 58 D CB . 52828 1
258 . 1 . 1 52 52 ASP N N 15 121.431 0.077 . 1 . . . . . 58 D N . 52828 1
259 . 1 . 1 53 53 ARG H H 1 8.072 0.001 . 1 . . . . . 59 R H . 52828 1
260 . 1 . 1 53 53 ARG C C 13 176.281 0.028 . 1 . . . . . 59 R CO . 52828 1
261 . 1 . 1 53 53 ARG CA C 13 56.017 0.005 . 1 . . . . . 59 R CA . 52828 1
262 . 1 . 1 53 53 ARG CB C 13 30.656 0.005 . 1 . . . . . 59 R CB . 52828 1
263 . 1 . 1 53 53 ARG N N 15 121.777 0.064 . 1 . . . . . 59 R N . 52828 1
264 . 1 . 1 54 54 VAL H H 1 8.156 0.001 . 1 . . . . . 60 V H . 52828 1
265 . 1 . 1 54 54 VAL C C 13 176.319 0.017 . 1 . . . . . 60 V CO . 52828 1
266 . 1 . 1 54 54 VAL CA C 13 62.669 0.001 . 1 . . . . . 60 V CA . 52828 1
267 . 1 . 1 54 54 VAL CB C 13 32.794 0.034 . 1 . . . . . 60 V CB . 52828 1
268 . 1 . 1 54 54 VAL N N 15 122.825 0.068 . 1 . . . . . 60 V N . 52828 1
269 . 1 . 1 55 55 GLU H H 1 8.470 0.000 . 1 . . . . . 61 E H . 52828 1
270 . 1 . 1 55 55 GLU C C 13 176.546 0.009 . 1 . . . . . 61 E CO . 52828 1
271 . 1 . 1 55 55 GLU CA C 13 56.599 0.014 . 1 . . . . . 61 E CA . 52828 1
272 . 1 . 1 55 55 GLU CB C 13 30.153 0.000 . 1 . . . . . 61 E CB . 52828 1
273 . 1 . 1 55 55 GLU N N 15 125.385 0.057 . 1 . . . . . 61 E N . 52828 1
274 . 1 . 1 56 56 GLU H H 1 8.399 0.002 . 1 . . . . . 62 E H . 52828 1
275 . 1 . 1 56 56 GLU C C 13 177.240 0.017 . 1 . . . . . 62 E CO . 52828 1
276 . 1 . 1 56 56 GLU CA C 13 57.139 0.001 . 1 . . . . . 62 E CA . 52828 1
277 . 1 . 1 56 56 GLU CB C 13 30.224 0.007 . 1 . . . . . 62 E CB . 52828 1
278 . 1 . 1 56 56 GLU N N 15 123.099 0.073 . 1 . . . . . 62 E N . 52828 1
279 . 1 . 1 57 57 GLY H H 1 8.414 0.001 . 1 . . . . . 63 G H . 52828 1
280 . 1 . 1 57 57 GLY C C 13 174.491 0.004 . 1 . . . . . 63 G CO . 52828 1
281 . 1 . 1 57 57 GLY CA C 13 45.561 0.019 . 1 . . . . . 63 G CA . 52828 1
282 . 1 . 1 57 57 GLY N N 15 110.361 0.055 . 1 . . . . . 63 G N . 52828 1
283 . 1 . 1 58 58 MET H H 1 8.089 0.000 . 1 . . . . . 64 M H . 52828 1
284 . 1 . 1 58 58 MET C C 13 176.063 0.005 . 1 . . . . . 64 M CO . 52828 1
285 . 1 . 1 58 58 MET CA C 13 55.644 0.044 . 1 . . . . . 64 M CA . 52828 1
286 . 1 . 1 58 58 MET CB C 13 32.657 0.034 . 1 . . . . . 64 M CB . 52828 1
287 . 1 . 1 58 58 MET N N 15 120.068 0.059 . 1 . . . . . 64 M N . 52828 1
288 . 1 . 1 59 59 ASN H H 1 8.332 0.002 . 1 . . . . . 65 N H . 52828 1
289 . 1 . 1 59 59 ASN C C 13 174.883 0.035 . 1 . . . . . 65 N CO . 52828 1
290 . 1 . 1 59 59 ASN CA C 13 53.371 0.000 . 1 . . . . . 65 N CA . 52828 1
291 . 1 . 1 59 59 ASN CB C 13 38.792 0.000 . 1 . . . . . 65 N CB . 52828 1
292 . 1 . 1 59 59 ASN N N 15 119.697 0.063 . 1 . . . . . 65 N N . 52828 1
293 . 1 . 1 60 60 HIS H H 1 8.301 0.004 . 1 . . . . . 66 H H . 52828 1
294 . 1 . 1 60 60 HIS C C 13 174.649 0.036 . 1 . . . . . 66 H CO . 52828 1
295 . 1 . 1 60 60 HIS CA C 13 55.804 0.012 . 1 . . . . . 66 H CA . 52828 1
296 . 1 . 1 60 60 HIS CB C 13 29.426 0.026 . 1 . . . . . 66 H CB . 52828 1
297 . 1 . 1 60 60 HIS N N 15 119.935 0.087 . 1 . . . . . 66 H N . 52828 1
298 . 1 . 1 61 61 ILE H H 1 8.014 0.001 . 1 . . . . . 67 I H . 52828 1
299 . 1 . 1 61 61 ILE C C 13 175.929 0.006 . 1 . . . . . 67 I CO . 52828 1
300 . 1 . 1 61 61 ILE CA C 13 61.398 0.014 . 1 . . . . . 67 I CA . 52828 1
301 . 1 . 1 61 61 ILE CB C 13 38.680 0.000 . 1 . . . . . 67 I CB . 52828 1
302 . 1 . 1 61 61 ILE N N 15 122.544 0.074 . 1 . . . . . 67 I N . 52828 1
303 . 1 . 1 62 62 ASN H H 1 8.472 0.001 . 1 . . . . . 68 N H . 52828 1
304 . 1 . 1 62 62 ASN C C 13 175.347 0.012 . 1 . . . . . 68 N CO . 52828 1
305 . 1 . 1 62 62 ASN CA C 13 53.421 0.009 . 1 . . . . . 68 N CA . 52828 1
306 . 1 . 1 62 62 ASN CB C 13 38.799 0.008 . 1 . . . . . 68 N CB . 52828 1
307 . 1 . 1 62 62 ASN N N 15 123.297 0.056 . 1 . . . . . 68 N N . 52828 1
308 . 1 . 1 63 63 GLN H H 1 8.359 0.001 . 1 . . . . . 69 Q H . 52828 1
309 . 1 . 1 63 63 GLN C C 13 175.808 0.007 . 1 . . . . . 69 Q CO . 52828 1
310 . 1 . 1 63 63 GLN CA C 13 56.439 0.030 . 1 . . . . . 69 Q CA . 52828 1
311 . 1 . 1 63 63 GLN CB C 13 29.340 0.007 . 1 . . . . . 69 Q CB . 52828 1
312 . 1 . 1 63 63 GLN N N 15 122.048 0.065 . 1 . . . . . 69 Q N . 52828 1
313 . 1 . 1 64 64 ASP H H 1 8.337 0.001 . 1 . . . . . 70 D H . 52828 1
314 . 1 . 1 64 64 ASP C C 13 176.663 0.016 . 1 . . . . . 70 D CO . 52828 1
315 . 1 . 1 64 64 ASP CA C 13 54.826 0.116 . 1 . . . . . 70 D CA . 52828 1
316 . 1 . 1 64 64 ASP CB C 13 41.056 0.014 . 1 . . . . . 70 D CB . 52828 1
317 . 1 . 1 64 64 ASP N N 15 121.868 0.047 . 1 . . . . . 70 D N . 52828 1
318 . 1 . 1 65 65 MET H H 1 8.201 0.001 . 1 . . . . . 71 M H . 52828 1
319 . 1 . 1 65 65 MET C C 13 176.697 0.010 . 1 . . . . . 71 M CO . 52828 1
320 . 1 . 1 65 65 MET CA C 13 55.971 0.073 . 1 . . . . . 71 M CA . 52828 1
321 . 1 . 1 65 65 MET CB C 13 32.468 0.000 . 1 . . . . . 71 M CB . 52828 1
322 . 1 . 1 65 65 MET N N 15 121.699 0.053 . 1 . . . . . 71 M N . 52828 1
323 . 1 . 1 66 66 LYS H H 1 8.219 0.001 . 1 . . . . . 72 K H . 52828 1
324 . 1 . 1 66 66 LYS C C 13 177.377 0.017 . 1 . . . . . 72 K CO . 52828 1
325 . 1 . 1 66 66 LYS CA C 13 57.078 0.000 . 1 . . . . . 72 K CA . 52828 1
326 . 1 . 1 66 66 LYS CB C 13 32.650 0.075 . 1 . . . . . 72 K CB . 52828 1
327 . 1 . 1 66 66 LYS N N 15 122.716 0.065 . 1 . . . . . 72 K N . 52828 1
328 . 1 . 1 67 67 GLU H H 1 8.307 0.000 . 1 . . . . . 73 E H . 52828 1
329 . 1 . 1 67 67 GLU C C 13 176.861 0.006 . 1 . . . . . 73 E CO . 52828 1
330 . 1 . 1 67 67 GLU CA C 13 57.245 0.042 . 1 . . . . . 73 E CA . 52828 1
331 . 1 . 1 67 67 GLU CB C 13 29.934 0.058 . 1 . . . . . 73 E CB . 52828 1
332 . 1 . 1 67 67 GLU N N 15 122.207 0.064 . 1 . . . . . 73 E N . 52828 1
333 . 1 . 1 68 68 ALA H H 1 8.156 0.001 . 1 . . . . . 74 A H . 52828 1
334 . 1 . 1 68 68 ALA C C 13 178.462 0.015 . 1 . . . . . 74 A CO . 52828 1
335 . 1 . 1 68 68 ALA CA C 13 53.220 0.016 . 1 . . . . . 74 A CA . 52828 1
336 . 1 . 1 68 68 ALA CB C 13 18.912 0.049 . 1 . . . . . 74 A CB . 52828 1
337 . 1 . 1 68 68 ALA N N 15 124.463 0.051 . 1 . . . . . 74 A N . 52828 1
338 . 1 . 1 69 69 GLU H H 1 8.152 0.000 . 1 . . . . . 75 E H . 52828 1
339 . 1 . 1 69 69 GLU C C 13 177.066 0.006 . 1 . . . . . 75 E CO . 52828 1
340 . 1 . 1 69 69 GLU CA C 13 57.185 0.000 . 1 . . . . . 75 E CA . 52828 1
341 . 1 . 1 69 69 GLU CB C 13 29.953 0.031 . 1 . . . . . 75 E CB . 52828 1
342 . 1 . 1 69 69 GLU N N 15 119.951 0.058 . 1 . . . . . 75 E N . 52828 1
343 . 1 . 1 70 70 LYS H H 1 8.055 0.002 . 1 . . . . . 76 K H . 52828 1
344 . 1 . 1 70 70 LYS C C 13 176.582 0.024 . 1 . . . . . 76 K CO . 52828 1
345 . 1 . 1 70 70 LYS CA C 13 57.087 0.014 . 1 . . . . . 76 K CA . 52828 1
346 . 1 . 1 70 70 LYS CB C 13 32.877 0.055 . 1 . . . . . 76 K CB . 52828 1
347 . 1 . 1 70 70 LYS N N 15 122.098 0.056 . 1 . . . . . 76 K N . 52828 1
348 . 1 . 1 71 71 ASN H H 1 8.316 0.002 . 1 . . . . . 77 N H . 52828 1
349 . 1 . 1 71 71 ASN C C 13 175.465 0.006 . 1 . . . . . 77 N CO . 52828 1
350 . 1 . 1 71 71 ASN CA C 13 53.448 0.006 . 1 . . . . . 77 N CA . 52828 1
351 . 1 . 1 71 71 ASN CB C 13 38.744 0.033 . 1 . . . . . 77 N CB . 52828 1
352 . 1 . 1 71 71 ASN N N 15 119.593 0.060 . 1 . . . . . 77 N N . 52828 1
353 . 1 . 1 72 72 LEU H H 1 8.063 0.002 . 1 . . . . . 78 L H . 52828 1
354 . 1 . 1 72 72 LEU C C 13 177.757 0.003 . 1 . . . . . 78 L CO . 52828 1
355 . 1 . 1 72 72 LEU CA C 13 55.736 0.020 . 1 . . . . . 78 L CA . 52828 1
356 . 1 . 1 72 72 LEU CB C 13 42.123 0.037 . 1 . . . . . 78 L CB . 52828 1
357 . 1 . 1 72 72 LEU N N 15 122.988 0.061 . 1 . . . . . 78 L N . 52828 1
358 . 1 . 1 73 73 LYS H H 1 8.100 0.001 . 1 . . . . . 79 K H . 52828 1
359 . 1 . 1 73 73 LYS C C 13 176.582 0.016 . 1 . . . . . 79 K CO . 52828 1
360 . 1 . 1 73 73 LYS CA C 13 56.916 0.062 . 1 . . . . . 79 K CA . 52828 1
361 . 1 . 1 73 73 LYS CB C 13 32.816 0.096 . 1 . . . . . 79 K CB . 52828 1
362 . 1 . 1 73 73 LYS N N 15 121.463 0.053 . 1 . . . . . 79 K N . 52828 1
363 . 1 . 1 74 74 ASP H H 1 8.146 0.000 . 1 . . . . . 80 D H . 52828 1
364 . 1 . 1 74 74 ASP C C 13 176.291 0.009 . 1 . . . . . 80 D CO . 52828 1
365 . 1 . 1 74 74 ASP CA C 13 54.478 0.037 . 1 . . . . . 80 D CA . 52828 1
366 . 1 . 1 74 74 ASP CB C 13 41.075 0.038 . 1 . . . . . 80 D CB . 52828 1
367 . 1 . 1 74 74 ASP N N 15 121.390 0.053 . 1 . . . . . 80 D N . 52828 1
368 . 1 . 1 75 75 LEU H H 1 8.038 0.001 . 1 . . . . . 81 L H . 52828 1
369 . 1 . 1 75 75 LEU C C 13 178.071 0.012 . 1 . . . . . 81 L CO . 52828 1
370 . 1 . 1 75 75 LEU CA C 13 55.611 0.056 . 1 . . . . . 81 L CA . 52828 1
371 . 1 . 1 75 75 LEU CB C 13 42.209 0.031 . 1 . . . . . 81 L CB . 52828 1
372 . 1 . 1 75 75 LEU N N 15 122.968 0.052 . 1 . . . . . 81 L N . 52828 1
373 . 1 . 1 76 76 GLY H H 1 8.389 0.000 . 1 . . . . . 82 G H . 52828 1
374 . 1 . 1 76 76 GLY C C 13 173.375 0.005 . 1 . . . . . 82 G CO . 52828 1
375 . 1 . 1 76 76 GLY CA C 13 45.565 0.007 . 1 . . . . . 82 G CA . 52828 1
376 . 1 . 1 76 76 GLY N N 15 110.348 0.056 . 1 . . . . . 82 G N . 52828 1
377 . 1 . 1 77 77 LYS H H 1 7.630 0.000 . 1 . . . . . 83 K H . 52828 1
378 . 1 . 1 77 77 LYS C C 13 181.342 0.000 . 1 . . . . . 83 K CO . 52828 1
379 . 1 . 1 77 77 LYS CA C 13 57.398 0.000 . 1 . . . . . 83 K CA . 52828 1
380 . 1 . 1 77 77 LYS CB C 13 33.691 0.000 . 1 . . . . . 83 K CB . 52828 1
381 . 1 . 1 77 77 LYS N N 15 126.242 0.055 . 1 . . . . . 83 K N . 52828 1
stop_
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