Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 16514
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 .
_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
7 '3D HNCO' . . . 16514 2
8 '3D HNCA' . . . 16514 2
9 '3D HNCACB' . . . 16514 2
10 '3D HN(CA)CO' . . . 16514 2
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 1 1 MET C C 13 175.983 0.000 . 1 . . . . 1 M C . 16514 2
2 . 1 1 1 1 MET CA C 13 55.766 0.000 . 1 . . . . 1 M CA . 16514 2
3 . 1 1 1 1 MET CB C 13 33.095 0.000 . 1 . . . . 1 M CB . 16514 2
4 . 1 1 2 2 SER H H 1 8.247 0.004 . 1 . . . . 2 S H . 16514 2
5 . 1 1 2 2 SER C C 13 174.335 0.000 . 1 . . . . 2 S C . 16514 2
6 . 1 1 2 2 SER CA C 13 58.386 0.000 . 1 . . . . 2 S CA . 16514 2
7 . 1 1 2 2 SER CB C 13 63.957 0.035 . 1 . . . . 2 S CB . 16514 2
8 . 1 1 2 2 SER N N 15 116.921 0.029 . 1 . . . . 2 S N . 16514 2
9 . 1 1 3 3 ALA H H 1 8.333 0.002 . 1 . . . . 3 A H . 16514 2
10 . 1 1 3 3 ALA C C 13 177.885 0.009 . 1 . . . . 3 A C . 16514 2
11 . 1 1 3 3 ALA CA C 13 52.886 0.015 . 1 . . . . 3 A CA . 16514 2
12 . 1 1 3 3 ALA CB C 13 19.521 0.003 . 1 . . . . 3 A CB . 16514 2
13 . 1 1 3 3 ALA N N 15 125.992 0.015 . 1 . . . . 3 A N . 16514 2
14 . 1 1 4 4 THR H H 1 7.973 0.004 . 1 . . . . 4 T H . 16514 2
15 . 1 1 4 4 THR C C 13 174.351 0.001 . 1 . . . . 4 T C . 16514 2
16 . 1 1 4 4 THR CA C 13 61.926 0.017 . 1 . . . . 4 T CA . 16514 2
17 . 1 1 4 4 THR CB C 13 69.809 0.004 . 1 . . . . 4 T CB . 16514 2
18 . 1 1 4 4 THR N N 15 112.366 0.019 . 1 . . . . 4 T N . 16514 2
19 . 1 1 5 5 ALA H H 1 8.094 0.004 . 1 . . . . 5 A H . 16514 2
20 . 1 1 5 5 ALA C C 13 177.176 0.019 . 1 . . . . 5 A C . 16514 2
21 . 1 1 5 5 ALA CA C 13 52.542 0.000 . 1 . . . . 5 A CA . 16514 2
22 . 1 1 5 5 ALA CB C 13 19.515 0.000 . 1 . . . . 5 A CB . 16514 2
23 . 1 1 5 5 ALA N N 15 126.037 0.012 . 1 . . . . 5 A N . 16514 2
24 . 1 1 6 6 ALA H H 1 8.106 0.005 . 1 . . . . 6 A H . 16514 2
25 . 1 1 6 6 ALA C C 13 177.733 0.009 . 1 . . . . 6 A C . 16514 2
26 . 1 1 6 6 ALA CA C 13 52.523 0.015 . 1 . . . . 6 A CA . 16514 2
27 . 1 1 6 6 ALA CB C 13 19.511 0.018 . 1 . . . . 6 A CB . 16514 2
28 . 1 1 6 6 ALA N N 15 122.782 0.019 . 1 . . . . 6 A N . 16514 2
29 . 1 1 7 7 THR H H 1 7.977 0.004 . 1 . . . . 7 T H . 16514 2
30 . 1 1 7 7 THR C C 13 174.208 0.005 . 1 . . . . 7 T C . 16514 2
31 . 1 1 7 7 THR CA C 13 61.884 0.003 . 1 . . . . 7 T CA . 16514 2
32 . 1 1 7 7 THR CB C 13 69.936 0.014 . 1 . . . . 7 T CB . 16514 2
33 . 1 1 7 7 THR N N 15 113.343 0.007 . 1 . . . . 7 T N . 16514 2
34 . 1 1 8 8 VAL H H 1 7.972 0.004 . 1 . . . . 8 V H . 16514 2
35 . 1 1 8 8 VAL C C 13 173.842 0.000 . 1 . . . . 8 V C . 16514 2
36 . 1 1 8 8 VAL CA C 13 59.732 0.000 . 1 . . . . 8 V CA . 16514 2
37 . 1 1 8 8 VAL CB C 13 32.797 0.000 . 1 . . . . 8 V CB . 16514 2
38 . 1 1 8 8 VAL N N 15 123.538 0.010 . 1 . . . . 8 V N . 16514 2
39 . 1 1 10 10 PRO C C 13 176.527 0.000 . 1 . . . . 10 P C . 16514 2
40 . 1 1 10 10 PRO CA C 13 62.926 0.000 . 1 . . . . 10 P CA . 16514 2
41 . 1 1 10 10 PRO CB C 13 32.055 0.000 . 1 . . . . 10 P CB . 16514 2
42 . 1 1 11 11 ALA H H 1 8.128 0.004 . 1 . . . . 11 A H . 16514 2
43 . 1 1 11 11 ALA C C 13 176.991 0.007 . 1 . . . . 11 A C . 16514 2
44 . 1 1 11 11 ALA CA C 13 52.133 0.001 . 1 . . . . 11 A CA . 16514 2
45 . 1 1 11 11 ALA CB C 13 19.552 0.000 . 1 . . . . 11 A CB . 16514 2
46 . 1 1 11 11 ALA N N 15 123.861 0.019 . 1 . . . . 11 A N . 16514 2
47 . 1 1 12 12 ALA H H 1 8.094 0.004 . 1 . . . . 12 A H . 16514 2
48 . 1 1 12 12 ALA C C 13 175.440 0.000 . 1 . . . . 12 A C . 16514 2
49 . 1 1 12 12 ALA CA C 13 50.339 0.000 . 1 . . . . 12 A CA . 16514 2
50 . 1 1 12 12 ALA CB C 13 18.668 0.000 . 1 . . . . 12 A CB . 16514 2
51 . 1 1 12 12 ALA N N 15 124.278 0.014 . 1 . . . . 12 A N . 16514 2
52 . 1 1 13 13 PRO C C 13 176.756 0.003 . 1 . . . . 13 P C . 16514 2
53 . 1 1 13 13 PRO CA C 13 63.182 0.000 . 1 . . . . 13 P CA . 16514 2
54 . 1 1 13 13 PRO CB C 13 32.056 0.000 . 1 . . . . 13 P CB . 16514 2
55 . 1 1 14 14 ALA H H 1 8.297 0.002 . 1 . . . . 14 A H . 16514 2
56 . 1 1 14 14 ALA C C 13 178.286 0.008 . 1 . . . . 14 A C . 16514 2
57 . 1 1 14 14 ALA CA C 13 52.621 0.006 . 1 . . . . 14 A CA . 16514 2
58 . 1 1 14 14 ALA CB C 13 19.470 0.002 . 1 . . . . 14 A CB . 16514 2
59 . 1 1 14 14 ALA N N 15 124.200 0.012 . 1 . . . . 14 A N . 16514 2
60 . 1 1 15 15 GLY H H 1 8.235 0.002 . 1 . . . . 15 G H . 16514 2
61 . 1 1 15 15 GLY C C 13 174.262 0.002 . 1 . . . . 15 G C . 16514 2
62 . 1 1 15 15 GLY CA C 13 45.373 0.010 . 1 . . . . 15 G CA . 16514 2
63 . 1 1 15 15 GLY N N 15 108.033 0.017 . 1 . . . . 15 G N . 16514 2
64 . 1 1 16 16 GLU H H 1 8.217 0.002 . 1 . . . . 16 E H . 16514 2
65 . 1 1 16 16 GLU C C 13 176.988 0.007 . 1 . . . . 16 E C . 16514 2
66 . 1 1 16 16 GLU CA C 13 56.681 0.008 . 1 . . . . 16 E CA . 16514 2
67 . 1 1 16 16 GLU CB C 13 30.404 0.001 . 1 . . . . 16 E CB . 16514 2
68 . 1 1 16 16 GLU N N 15 120.549 0.010 . 1 . . . . 16 E N . 16514 2
69 . 1 1 17 17 GLY H H 1 8.391 0.003 . 1 . . . . 17 G H . 16514 2
70 . 1 1 17 17 GLY C C 13 174.293 0.005 . 1 . . . . 17 G C . 16514 2
71 . 1 1 17 17 GLY CA C 13 45.352 0.006 . 1 . . . . 17 G CA . 16514 2
72 . 1 1 17 17 GLY N N 15 109.779 0.013 . 1 . . . . 17 G N . 16514 2
73 . 1 1 18 18 GLY H H 1 7.992 0.004 . 1 . . . . 18 G H . 16514 2
74 . 1 1 18 18 GLY C C 13 171.220 0.000 . 1 . . . . 18 G C . 16514 2
75 . 1 1 18 18 GLY CA C 13 44.452 0.062 . 1 . . . . 18 G CA . 16514 2
76 . 1 1 18 18 GLY N N 15 108.783 0.010 . 1 . . . . 18 G N . 16514 2
77 . 1 1 20 20 PRO C C 13 176.204 0.012 . 1 . . . . 20 P C . 16514 2
78 . 1 1 20 20 PRO CA C 13 62.944 0.000 . 1 . . . . 20 P CA . 16514 2
79 . 1 1 20 20 PRO CB C 13 31.915 0.000 . 1 . . . . 20 P CB . 16514 2
80 . 1 1 21 21 ALA H H 1 8.151 0.004 . 1 . . . . 21 A H . 16514 2
81 . 1 1 21 21 ALA C C 13 174.957 0.000 . 1 . . . . 21 A C . 16514 2
82 . 1 1 21 21 ALA CA C 13 50.196 0.000 . 1 . . . . 21 A CA . 16514 2
83 . 1 1 21 21 ALA CB C 13 18.512 0.000 . 1 . . . . 21 A CB . 16514 2
84 . 1 1 21 21 ALA N N 15 125.044 0.019 . 1 . . . . 21 A N . 16514 2
85 . 1 1 24 24 PRO C C 13 176.646 0.001 . 1 . . . . 24 P C . 16514 2
86 . 1 1 24 24 PRO CA C 13 63.312 0.000 . 1 . . . . 24 P CA . 16514 2
87 . 1 1 24 24 PRO CB C 13 31.993 0.000 . 1 . . . . 24 P CB . 16514 2
88 . 1 1 25 25 ASN H H 1 8.324 0.002 . 1 . . . . 25 N H . 16514 2
89 . 1 1 25 25 ASN C C 13 175.302 0.007 . 1 . . . . 25 N C . 16514 2
90 . 1 1 25 25 ASN CA C 13 53.281 0.015 . 1 . . . . 25 N CA . 16514 2
91 . 1 1 25 25 ASN CB C 13 38.752 0.023 . 1 . . . . 25 N CB . 16514 2
92 . 1 1 25 25 ASN N N 15 117.532 0.007 . 1 . . . . 25 N N . 16514 2
93 . 1 1 26 26 LEU H H 1 8.201 0.003 . 1 . . . . 26 L H . 16514 2
94 . 1 1 26 26 LEU C C 13 177.469 0.003 . 1 . . . . 26 L C . 16514 2
95 . 1 1 26 26 LEU CA C 13 55.784 0.017 . 1 . . . . 26 L CA . 16514 2
96 . 1 1 26 26 LEU CB C 13 42.541 0.007 . 1 . . . . 26 L CB . 16514 2
97 . 1 1 26 26 LEU N N 15 122.353 0.012 . 1 . . . . 26 L N . 16514 2
98 . 1 1 27 27 THR H H 1 7.986 0.005 . 1 . . . . 27 T H . 16514 2
99 . 1 1 27 27 THR C C 13 174.757 0.003 . 1 . . . . 27 T C . 16514 2
100 . 1 1 27 27 THR CA C 13 62.156 0.013 . 1 . . . . 27 T CA . 16514 2
101 . 1 1 27 27 THR CB C 13 69.639 0.083 . 1 . . . . 27 T CB . 16514 2
102 . 1 1 27 27 THR N N 15 112.571 0.046 . 1 . . . . 27 T N . 16514 2
103 . 1 1 28 28 SER H H 1 8.130 0.004 . 1 . . . . 28 S H . 16514 2
104 . 1 1 28 28 SER C C 13 174.445 0.000 . 1 . . . . 28 S C . 16514 2
105 . 1 1 28 28 SER CA C 13 58.727 0.006 . 1 . . . . 28 S CA . 16514 2
106 . 1 1 28 28 SER CB C 13 63.782 0.054 . 1 . . . . 28 S CB . 16514 2
107 . 1 1 28 28 SER N N 15 117.118 0.008 . 1 . . . . 28 S N . 16514 2
108 . 1 1 29 29 ASN H H 1 8.342 0.004 . 1 . . . . 29 N H . 16514 2
109 . 1 1 29 29 ASN C C 13 175.475 0.030 . 1 . . . . 29 N C . 16514 2
110 . 1 1 29 29 ASN CA C 13 53.825 0.028 . 1 . . . . 29 N CA . 16514 2
111 . 1 1 29 29 ASN CB C 13 39.042 0.041 . 1 . . . . 29 N CB . 16514 2
112 . 1 1 29 29 ASN N N 15 120.685 0.037 . 1 . . . . 29 N N . 16514 2
113 . 1 1 30 30 ARG H H 1 8.231 0.003 . 1 . . . . 30 R H . 16514 2
114 . 1 1 30 30 ARG C C 13 176.699 0.008 . 1 . . . . 30 R C . 16514 2
115 . 1 1 30 30 ARG CA C 13 57.137 0.000 . 1 . . . . 30 R CA . 16514 2
116 . 1 1 30 30 ARG CB C 13 30.650 0.000 . 1 . . . . 30 R CB . 16514 2
117 . 1 1 30 30 ARG N N 15 121.363 0.062 . 1 . . . . 30 R N . 16514 2
118 . 1 1 31 31 ARG H H 1 8.244 0.003 . 1 . . . . 31 R H . 16514 2
119 . 1 1 31 31 ARG C C 13 177.141 0.028 . 1 . . . . 31 R C . 16514 2
120 . 1 1 31 31 ARG CA C 13 57.141 0.020 . 1 . . . . 31 R CA . 16514 2
121 . 1 1 31 31 ARG CB C 13 30.534 0.025 . 1 . . . . 31 R CB . 16514 2
122 . 1 1 31 31 ARG N N 15 120.765 0.004 . 1 . . . . 31 R N . 16514 2
123 . 1 1 32 32 LEU H H 1 8.194 0.003 . 1 . . . . 32 L H . 16514 2
124 . 1 1 32 32 LEU C C 13 177.587 0.019 . 1 . . . . 32 L C . 16514 2
125 . 1 1 32 32 LEU CA C 13 56.137 0.025 . 1 . . . . 32 L CA . 16514 2
126 . 1 1 32 32 LEU CB C 13 42.093 0.012 . 1 . . . . 32 L CB . 16514 2
127 . 1 1 32 32 LEU N N 15 121.591 0.073 . 1 . . . . 32 L N . 16514 2
128 . 1 1 33 33 GLN H H 1 8.184 0.002 . 1 . . . . 33 Q H . 16514 2
129 . 1 1 33 33 GLN C C 13 176.825 0.018 . 1 . . . . 33 Q C . 16514 2
130 . 1 1 33 33 GLN CA C 13 57.103 0.000 . 1 . . . . 33 Q CA . 16514 2
131 . 1 1 33 33 GLN CB C 13 29.229 0.000 . 1 . . . . 33 Q CB . 16514 2
132 . 1 1 33 33 GLN N N 15 119.742 0.024 . 1 . . . . 33 Q N . 16514 2
133 . 1 1 34 34 GLN H H 1 8.274 0.002 . 1 . . . . 34 Q H . 16514 2
134 . 1 1 34 34 GLN C C 13 176.768 0.006 . 1 . . . . 34 Q C . 16514 2
135 . 1 1 34 34 GLN CA C 13 56.936 0.032 . 1 . . . . 34 Q CA . 16514 2
136 . 1 1 34 34 GLN CB C 13 29.304 0.038 . 1 . . . . 34 Q CB . 16514 2
137 . 1 1 34 34 GLN N N 15 120.026 0.029 . 1 . . . . 34 Q N . 16514 2
138 . 1 1 35 35 THR H H 1 8.049 0.004 . 1 . . . . 35 T H . 16514 2
139 . 1 1 35 35 THR C C 13 175.068 0.009 . 1 . . . . 35 T C . 16514 2
140 . 1 1 35 35 THR CA C 13 63.591 0.007 . 1 . . . . 35 T CA . 16514 2
141 . 1 1 35 35 THR CB C 13 69.629 0.058 . 1 . . . . 35 T CB . 16514 2
142 . 1 1 35 35 THR N N 15 115.054 0.010 . 1 . . . . 35 T N . 16514 2
143 . 1 1 36 36 GLN H H 1 8.389 0.002 . 1 . . . . 36 Q H . 16514 2
144 . 1 1 36 36 GLN C C 13 176.241 0.014 . 1 . . . . 36 Q C . 16514 2
145 . 1 1 36 36 GLN CA C 13 57.393 0.051 . 1 . . . . 36 Q CA . 16514 2
146 . 1 1 36 36 GLN CB C 13 29.096 0.025 . 1 . . . . 36 Q CB . 16514 2
147 . 1 1 36 36 GLN N N 15 121.754 0.013 . 1 . . . . 36 Q N . 16514 2
148 . 1 1 37 37 ALA H H 1 8.105 0.004 . 1 . . . . 37 A H . 16514 2
149 . 1 1 37 37 ALA C C 13 178.617 0.020 . 1 . . . . 37 A C . 16514 2
150 . 1 1 37 37 ALA CA C 13 53.669 0.023 . 1 . . . . 37 A CA . 16514 2
151 . 1 1 37 37 ALA CB C 13 18.987 0.000 . 1 . . . . 37 A CB . 16514 2
152 . 1 1 37 37 ALA N N 15 122.627 0.013 . 1 . . . . 37 A N . 16514 2
153 . 1 1 38 38 GLN H H 1 8.094 0.004 . 1 . . . . 38 Q H . 16514 2
154 . 1 1 38 38 GLN C C 13 177.508 0.001 . 1 . . . . 38 Q C . 16514 2
155 . 1 1 38 38 GLN CA C 13 57.308 0.000 . 1 . . . . 38 Q CA . 16514 2
156 . 1 1 38 38 GLN CB C 13 29.437 0.000 . 1 . . . . 38 Q CB . 16514 2
157 . 1 1 38 38 GLN N N 15 118.525 0.020 . 1 . . . . 38 Q N . 16514 2
158 . 1 1 39 39 VAL H H 1 8.179 0.003 . 1 . . . . 39 V H . 16514 2
159 . 1 1 39 39 VAL CA C 13 65.503 0.000 . 1 . . . . 39 V CA . 16514 2
160 . 1 1 39 39 VAL CB C 13 31.900 0.000 . 1 . . . . 39 V CB . 16514 2
161 . 1 1 39 39 VAL N N 15 119.887 0.059 . 1 . . . . 39 V N . 16514 2
162 . 1 1 40 40 ASP C C 13 177.855 0.000 . 1 . . . . 40 D C . 16514 2
163 . 1 1 40 40 ASP CA C 13 56.780 0.000 . 1 . . . . 40 D CA . 16514 2
164 . 1 1 40 40 ASP CB C 13 38.926 0.000 . 1 . . . . 40 D CB . 16514 2
165 . 1 1 41 41 GLU H H 1 7.850 0.005 . 1 . . . . 41 E H . 16514 2
166 . 1 1 41 41 GLU C C 13 178.291 0.052 . 1 . . . . 41 E C . 16514 2
167 . 1 1 41 41 GLU CA C 13 58.579 0.020 . 1 . . . . 41 E CA . 16514 2
168 . 1 1 41 41 GLU CB C 13 29.933 0.000 . 1 . . . . 41 E CB . 16514 2
169 . 1 1 41 41 GLU N N 15 119.126 0.052 . 1 . . . . 41 E N . 16514 2
170 . 1 1 42 42 VAL H H 1 7.918 0.004 . 1 . . . . 42 V H . 16514 2
171 . 1 1 42 42 VAL C C 13 177.279 0.012 . 1 . . . . 42 V C . 16514 2
172 . 1 1 42 42 VAL CA C 13 65.813 0.000 . 1 . . . . 42 V CA . 16514 2
173 . 1 1 42 42 VAL CB C 13 31.822 0.000 . 1 . . . . 42 V CB . 16514 2
174 . 1 1 42 42 VAL N N 15 119.354 0.055 . 1 . . . . 42 V N . 16514 2
175 . 1 1 43 43 VAL H H 1 8.303 0.003 . 1 . . . . 43 V H . 16514 2
176 . 1 1 43 43 VAL C C 13 177.226 0.013 . 1 . . . . 43 V C . 16514 2
177 . 1 1 43 43 VAL CA C 13 66.352 0.035 . 1 . . . . 43 V CA . 16514 2
178 . 1 1 43 43 VAL CB C 13 31.542 0.000 . 1 . . . . 43 V CB . 16514 2
179 . 1 1 43 43 VAL N N 15 120.276 0.008 . 1 . . . . 43 V N . 16514 2
180 . 1 1 44 44 ASP H H 1 7.956 0.005 . 1 . . . . 44 D H . 16514 2
181 . 1 1 44 44 ASP C C 13 178.202 0.017 . 1 . . . . 44 D C . 16514 2
182 . 1 1 44 44 ASP CA C 13 57.268 0.019 . 1 . . . . 44 D CA . 16514 2
183 . 1 1 44 44 ASP CB C 13 41.163 0.000 . 1 . . . . 44 D CB . 16514 2
184 . 1 1 44 44 ASP N N 15 120.226 0.022 . 1 . . . . 44 D N . 16514 2
185 . 1 1 45 45 ILE H H 1 7.896 0.004 . 1 . . . . 45 I H . 16514 2
186 . 1 1 45 45 ILE C C 13 178.538 0.009 . 1 . . . . 45 I C . 16514 2
187 . 1 1 45 45 ILE CA C 13 64.253 0.031 . 1 . . . . 45 I CA . 16514 2
188 . 1 1 45 45 ILE CB C 13 38.500 0.000 . 1 . . . . 45 I CB . 16514 2
189 . 1 1 45 45 ILE N N 15 119.228 0.038 . 1 . . . . 45 I N . 16514 2
190 . 1 1 46 46 MET H H 1 8.265 0.003 . 1 . . . . 46 M H . 16514 2
191 . 1 1 46 46 MET C C 13 177.230 0.024 . 1 . . . . 46 M C . 16514 2
192 . 1 1 46 46 MET CA C 13 58.504 0.020 . 1 . . . . 46 M CA . 16514 2
193 . 1 1 46 46 MET CB C 13 31.892 0.000 . 1 . . . . 46 M CB . 16514 2
194 . 1 1 46 46 MET N N 15 119.839 0.030 . 1 . . . . 46 M N . 16514 2
195 . 1 1 47 47 ARG H H 1 8.499 0.006 . 1 . . . . 47 R H . 16514 2
196 . 1 1 47 47 ARG C C 13 177.887 0.027 . 1 . . . . 47 R C . 16514 2
197 . 1 1 47 47 ARG CA C 13 59.416 0.035 . 1 . . . . 47 R CA . 16514 2
198 . 1 1 47 47 ARG CB C 13 30.417 0.000 . 1 . . . . 47 R CB . 16514 2
199 . 1 1 47 47 ARG N N 15 119.230 0.035 . 1 . . . . 47 R N . 16514 2
200 . 1 1 48 48 VAL H H 1 7.956 0.004 . 1 . . . . 48 V H . 16514 2
201 . 1 1 48 48 VAL C C 13 177.450 0.000 . 1 . . . . 48 V C . 16514 2
202 . 1 1 48 48 VAL CA C 13 64.674 0.015 . 1 . . . . 48 V CA . 16514 2
203 . 1 1 48 48 VAL CB C 13 32.156 0.000 . 1 . . . . 48 V CB . 16514 2
204 . 1 1 48 48 VAL N N 15 116.542 0.018 . 1 . . . . 48 V N . 16514 2
205 . 1 1 49 49 ASN H H 1 7.829 0.005 . 1 . . . . 49 N H . 16514 2
206 . 1 1 49 49 ASN C C 13 176.477 0.038 . 1 . . . . 49 N C . 16514 2
207 . 1 1 49 49 ASN CA C 13 56.044 0.024 . 1 . . . . 49 N CA . 16514 2
208 . 1 1 49 49 ASN CB C 13 40.407 0.005 . 1 . . . . 49 N CB . 16514 2
209 . 1 1 49 49 ASN N N 15 118.523 0.078 . 1 . . . . 49 N N . 16514 2
210 . 1 1 50 50 VAL H H 1 8.335 0.005 . 1 . . . . 50 V H . 16514 2
211 . 1 1 50 50 VAL C C 13 176.707 0.030 . 1 . . . . 50 V C . 16514 2
212 . 1 1 50 50 VAL CA C 13 65.964 0.000 . 1 . . . . 50 V CA . 16514 2
213 . 1 1 50 50 VAL CB C 13 31.635 0.000 . 1 . . . . 50 V CB . 16514 2
214 . 1 1 50 50 VAL N N 15 120.299 0.033 . 1 . . . . 50 V N . 16514 2
215 . 1 1 51 51 ASP H H 1 8.332 0.002 . 1 . . . . 51 D H . 16514 2
216 . 1 1 51 51 ASP C C 13 177.861 0.007 . 1 . . . . 51 D C . 16514 2
217 . 1 1 51 51 ASP CA C 13 56.852 0.077 . 1 . . . . 51 D CA . 16514 2
218 . 1 1 51 51 ASP CB C 13 40.371 0.000 . 1 . . . . 51 D CB . 16514 2
219 . 1 1 51 51 ASP N N 15 120.106 0.032 . 1 . . . . 51 D N . 16514 2
220 . 1 1 52 52 LYS H H 1 7.693 0.005 . 1 . . . . 52 K H . 16514 2
221 . 1 1 52 52 LYS C C 13 178.353 0.026 . 1 . . . . 52 K C . 16514 2
222 . 1 1 52 52 LYS CA C 13 58.355 0.021 . 1 . . . . 52 K CA . 16514 2
223 . 1 1 52 52 LYS CB C 13 32.750 0.000 . 1 . . . . 52 K CB . 16514 2
224 . 1 1 52 52 LYS N N 15 117.550 0.076 . 1 . . . . 52 K N . 16514 2
225 . 1 1 53 53 VAL H H 1 7.709 0.004 . 1 . . . . 53 V H . 16514 2
226 . 1 1 53 53 VAL C C 13 176.423 0.009 . 1 . . . . 53 V C . 16514 2
227 . 1 1 53 53 VAL CA C 13 64.409 0.025 . 1 . . . . 53 V CA . 16514 2
228 . 1 1 53 53 VAL CB C 13 32.382 0.000 . 1 . . . . 53 V CB . 16514 2
229 . 1 1 53 53 VAL N N 15 117.099 0.024 . 1 . . . . 53 V N . 16514 2
230 . 1 1 54 54 LEU H H 1 7.879 0.006 . 1 . . . . 54 L H . 16514 2
231 . 1 1 54 54 LEU C C 13 177.171 0.006 . 1 . . . . 54 L C . 16514 2
232 . 1 1 54 54 LEU CA C 13 55.638 0.008 . 1 . . . . 54 L CA . 16514 2
233 . 1 1 54 54 LEU CB C 13 42.327 0.000 . 1 . . . . 54 L CB . 16514 2
234 . 1 1 54 54 LEU N N 15 119.026 0.066 . 1 . . . . 54 L N . 16514 2
235 . 1 1 55 55 GLU H H 1 7.900 0.004 . 1 . . . . 55 E H . 16514 2
236 . 1 1 55 55 GLU C C 13 176.533 0.005 . 1 . . . . 55 E C . 16514 2
237 . 1 1 55 55 GLU CA C 13 56.970 0.000 . 1 . . . . 55 E CA . 16514 2
238 . 1 1 55 55 GLU CB C 13 29.709 0.073 . 1 . . . . 55 E CB . 16514 2
239 . 1 1 55 55 GLU N N 15 118.967 0.036 . 1 . . . . 55 E N . 16514 2
240 . 1 1 56 56 ARG H H 1 8.038 0.005 . 1 . . . . 56 R H . 16514 2
241 . 1 1 56 56 ARG C C 13 176.185 0.014 . 1 . . . . 56 R C . 16514 2
242 . 1 1 56 56 ARG CA C 13 56.677 0.055 . 1 . . . . 56 R CA . 16514 2
243 . 1 1 56 56 ARG CB C 13 30.892 0.145 . 1 . . . . 56 R CB . 16514 2
244 . 1 1 56 56 ARG N N 15 120.557 0.014 . 1 . . . . 56 R N . 16514 2
245 . 1 1 57 57 ASP H H 1 8.350 0.002 . 1 . . . . 57 D H . 16514 2
246 . 1 1 57 57 ASP C C 13 176.300 0.024 . 1 . . . . 57 D C . 16514 2
247 . 1 1 57 57 ASP CA C 13 54.719 0.005 . 1 . . . . 57 D CA . 16514 2
248 . 1 1 57 57 ASP CB C 13 41.277 0.000 . 1 . . . . 57 D CB . 16514 2
249 . 1 1 57 57 ASP N N 15 120.514 0.026 . 1 . . . . 57 D N . 16514 2
250 . 1 1 58 58 GLN H H 1 8.183 0.004 . 1 . . . . 58 Q H . 16514 2
251 . 1 1 58 58 GLN C C 13 176.087 0.005 . 1 . . . . 58 Q C . 16514 2
252 . 1 1 58 58 GLN CA C 13 56.350 0.000 . 1 . . . . 58 Q CA . 16514 2
253 . 1 1 58 58 GLN CB C 13 29.733 0.022 . 1 . . . . 58 Q CB . 16514 2
254 . 1 1 58 58 GLN N N 15 120.637 0.036 . 1 . . . . 58 Q N . 16514 2
255 . 1 1 59 59 LYS H H 1 8.287 0.002 . 1 . . . . 59 K H . 16514 2
256 . 1 1 59 59 LYS C C 13 176.910 0.006 . 1 . . . . 59 K C . 16514 2
257 . 1 1 59 59 LYS CA C 13 56.635 0.024 . 1 . . . . 59 K CA . 16514 2
258 . 1 1 59 59 LYS CB C 13 32.689 0.033 . 1 . . . . 59 K CB . 16514 2
259 . 1 1 59 59 LYS N N 15 121.620 0.022 . 1 . . . . 59 K N . 16514 2
260 . 1 1 60 60 LEU H H 1 8.226 0.002 . 1 . . . . 60 L H . 16514 2
261 . 1 1 60 60 LEU C C 13 177.614 0.023 . 1 . . . . 60 L C . 16514 2
262 . 1 1 60 60 LEU CA C 13 55.776 0.009 . 1 . . . . 60 L CA . 16514 2
263 . 1 1 60 60 LEU CB C 13 42.270 0.010 . 1 . . . . 60 L CB . 16514 2
264 . 1 1 60 60 LEU N N 15 122.414 0.012 . 1 . . . . 60 L N . 16514 2
265 . 1 1 61 61 SER H H 1 8.150 0.004 . 1 . . . . 61 S H . 16514 2
266 . 1 1 61 61 SER C C 13 174.766 0.000 . 1 . . . . 61 S C . 16514 2
267 . 1 1 61 61 SER CA C 13 58.909 0.000 . 1 . . . . 61 S CA . 16514 2
268 . 1 1 61 61 SER CB C 13 63.945 0.007 . 1 . . . . 61 S CB . 16514 2
269 . 1 1 61 61 SER N N 15 115.325 0.007 . 1 . . . . 61 S N . 16514 2
270 . 1 1 62 62 GLU H H 1 8.270 0.003 . 1 . . . . 62 E H . 16514 2
271 . 1 1 62 62 GLU C C 13 176.506 0.009 . 1 . . . . 62 E C . 16514 2
272 . 1 1 62 62 GLU CA C 13 56.933 0.035 . 1 . . . . 62 E CA . 16514 2
273 . 1 1 62 62 GLU CB C 13 30.124 0.033 . 1 . . . . 62 E CB . 16514 2
274 . 1 1 62 62 GLU N N 15 121.913 0.025 . 1 . . . . 62 E N . 16514 2
275 . 1 1 63 63 LEU H H 1 7.969 0.004 . 1 . . . . 63 L H . 16514 2
276 . 1 1 63 63 LEU C C 13 177.059 0.006 . 1 . . . . 63 L C . 16514 2
277 . 1 1 63 63 LEU CA C 13 55.519 0.001 . 1 . . . . 63 L CA . 16514 2
278 . 1 1 63 63 LEU CB C 13 42.488 0.000 . 1 . . . . 63 L CB . 16514 2
279 . 1 1 63 63 LEU N N 15 121.273 0.005 . 1 . . . . 63 L N . 16514 2
280 . 1 1 64 64 ASP H H 1 8.082 0.003 . 1 . . . . 64 D H . 16514 2
281 . 1 1 64 64 ASP C C 13 176.114 0.020 . 1 . . . . 64 D C . 16514 2
282 . 1 1 64 64 ASP CA C 13 54.703 0.000 . 1 . . . . 64 D CA . 16514 2
283 . 1 1 64 64 ASP CB C 13 41.689 0.000 . 1 . . . . 64 D CB . 16514 2
284 . 1 1 64 64 ASP N N 15 120.594 0.006 . 1 . . . . 64 D N . 16514 2
285 . 1 1 65 65 ASP H H 1 8.191 0.004 . 1 . . . . 65 D H . 16514 2
286 . 1 1 65 65 ASP C C 13 176.704 0.007 . 1 . . . . 65 D C . 16514 2
287 . 1 1 65 65 ASP CA C 13 54.735 0.014 . 1 . . . . 65 D CA . 16514 2
288 . 1 1 65 65 ASP CB C 13 41.191 0.049 . 1 . . . . 65 D CB . 16514 2
289 . 1 1 65 65 ASP N N 15 120.873 0.014 . 1 . . . . 65 D N . 16514 2
290 . 1 1 66 66 ARG H H 1 8.161 0.003 . 1 . . . . 66 R H . 16514 2
291 . 1 1 66 66 ARG C C 13 176.641 0.003 . 1 . . . . 66 R C . 16514 2
292 . 1 1 66 66 ARG CA C 13 56.611 0.020 . 1 . . . . 66 R CA . 16514 2
293 . 1 1 66 66 ARG CB C 13 30.584 0.040 . 1 . . . . 66 R CB . 16514 2
294 . 1 1 66 66 ARG N N 15 120.422 0.012 . 1 . . . . 66 R N . 16514 2
295 . 1 1 67 67 ALA H H 1 8.173 0.003 . 1 . . . . 67 A H . 16514 2
296 . 1 1 67 67 ALA C C 13 178.080 0.004 . 1 . . . . 67 A C . 16514 2
297 . 1 1 67 67 ALA CA C 13 53.498 0.002 . 1 . . . . 67 A CA . 16514 2
298 . 1 1 67 67 ALA CB C 13 19.160 0.004 . 1 . . . . 67 A CB . 16514 2
299 . 1 1 67 67 ALA N N 15 123.647 0.021 . 1 . . . . 67 A N . 16514 2
300 . 1 1 68 68 ASP H H 1 8.162 0.003 . 1 . . . . 68 D H . 16514 2
301 . 1 1 68 68 ASP C C 13 176.791 0.008 . 1 . . . . 68 D C . 16514 2
302 . 1 1 68 68 ASP CA C 13 55.016 0.001 . 1 . . . . 68 D CA . 16514 2
303 . 1 1 68 68 ASP CB C 13 41.130 0.001 . 1 . . . . 68 D CB . 16514 2
304 . 1 1 68 68 ASP N N 15 118.601 0.008 . 1 . . . . 68 D N . 16514 2
305 . 1 1 69 69 ALA H H 1 8.017 0.004 . 1 . . . . 69 A H . 16514 2
306 . 1 1 69 69 ALA C C 13 178.416 0.013 . 1 . . . . 69 A C . 16514 2
307 . 1 1 69 69 ALA CA C 13 53.514 0.001 . 1 . . . . 69 A CA . 16514 2
308 . 1 1 69 69 ALA CB C 13 19.242 0.004 . 1 . . . . 69 A CB . 16514 2
309 . 1 1 69 69 ALA N N 15 123.249 0.011 . 1 . . . . 69 A N . 16514 2
310 . 1 1 70 70 LEU H H 1 8.034 0.004 . 1 . . . . 70 L H . 16514 2
311 . 1 1 70 70 LEU C C 13 177.766 0.008 . 1 . . . . 70 L C . 16514 2
312 . 1 1 70 70 LEU CA C 13 56.114 0.000 . 1 . . . . 70 L CA . 16514 2
313 . 1 1 70 70 LEU CB C 13 42.076 0.001 . 1 . . . . 70 L CB . 16514 2
314 . 1 1 70 70 LEU N N 15 119.304 0.012 . 1 . . . . 70 L N . 16514 2
315 . 1 1 71 71 GLN H H 1 8.064 0.004 . 1 . . . . 71 Q H . 16514 2
316 . 1 1 71 71 GLN C C 13 176.370 0.014 . 1 . . . . 71 Q C . 16514 2
317 . 1 1 71 71 GLN CA C 13 56.651 0.001 . 1 . . . . 71 Q CA . 16514 2
318 . 1 1 71 71 GLN CB C 13 29.228 0.023 . 1 . . . . 71 Q CB . 16514 2
319 . 1 1 71 71 GLN N N 15 119.457 0.007 . 1 . . . . 71 Q N . 16514 2
320 . 1 1 72 72 ALA H H 1 8.149 0.002 . 1 . . . . 72 A H . 16514 2
321 . 1 1 72 72 ALA C C 13 178.679 0.016 . 1 . . . . 72 A C . 16514 2
322 . 1 1 72 72 ALA CA C 13 53.315 0.020 . 1 . . . . 72 A CA . 16514 2
323 . 1 1 72 72 ALA CB C 13 19.242 0.025 . 1 . . . . 72 A CB . 16514 2
324 . 1 1 72 72 ALA N N 15 123.911 0.040 . 1 . . . . 72 A N . 16514 2
325 . 1 1 73 73 GLY H H 1 8.283 0.002 . 1 . . . . 73 G H . 16514 2
326 . 1 1 73 73 GLY C C 13 174.222 0.004 . 1 . . . . 73 G C . 16514 2
327 . 1 1 73 73 GLY CA C 13 45.798 0.015 . 1 . . . . 73 G CA . 16514 2
328 . 1 1 73 73 GLY N N 15 107.525 0.017 . 1 . . . . 73 G N . 16514 2
329 . 1 1 74 74 ALA H H 1 8.135 0.003 . 1 . . . . 74 A H . 16514 2
330 . 1 1 74 74 ALA C C 13 178.250 0.013 . 1 . . . . 74 A C . 16514 2
331 . 1 1 74 74 ALA CA C 13 53.262 0.009 . 1 . . . . 74 A CA . 16514 2
332 . 1 1 74 74 ALA CB C 13 19.425 0.016 . 1 . . . . 74 A CB . 16514 2
333 . 1 1 74 74 ALA N N 15 123.405 0.027 . 1 . . . . 74 A N . 16514 2
334 . 1 1 75 75 SER H H 1 8.273 0.002 . 1 . . . . 75 S H . 16514 2
335 . 1 1 75 75 SER C C 13 175.507 0.000 . 1 . . . . 75 S C . 16514 2
336 . 1 1 75 75 SER CA C 13 59.213 0.001 . 1 . . . . 75 S CA . 16514 2
337 . 1 1 75 75 SER CB C 13 63.899 0.014 . 1 . . . . 75 S CB . 16514 2
338 . 1 1 75 75 SER N N 15 114.293 0.017 . 1 . . . . 75 S N . 16514 2
339 . 1 1 76 76 GLN H H 1 8.382 0.002 . 1 . . . . 76 Q H . 16514 2
340 . 1 1 76 76 GLN C C 13 176.782 0.011 . 1 . . . . 76 Q C . 16514 2
341 . 1 1 76 76 GLN CA C 13 57.203 0.024 . 1 . . . . 76 Q CA . 16514 2
342 . 1 1 76 76 GLN CB C 13 29.195 0.000 . 1 . . . . 76 Q CB . 16514 2
343 . 1 1 76 76 GLN N N 15 121.773 0.035 . 1 . . . . 76 Q N . 16514 2
344 . 1 1 77 77 PHE H H 1 8.213 0.003 . 1 . . . . 77 F H . 16514 2
345 . 1 1 77 77 PHE C C 13 175.983 0.036 . 1 . . . . 77 F C . 16514 2
346 . 1 1 77 77 PHE CA C 13 59.257 0.006 . 1 . . . . 77 F CA . 16514 2
347 . 1 1 77 77 PHE CB C 13 39.581 0.033 . 1 . . . . 77 F CB . 16514 2
348 . 1 1 77 77 PHE N N 15 119.734 0.038 . 1 . . . . 77 F N . 16514 2
349 . 1 1 78 78 GLU H H 1 8.194 0.004 . 1 . . . . 78 E H . 16514 2
350 . 1 1 78 78 GLU C C 13 177.517 0.016 . 1 . . . . 78 E C . 16514 2
351 . 1 1 78 78 GLU CA C 13 58.290 0.025 . 1 . . . . 78 E CA . 16514 2
352 . 1 1 78 78 GLU CB C 13 30.244 0.000 . 1 . . . . 78 E CB . 16514 2
353 . 1 1 78 78 GLU N N 15 120.498 0.008 . 1 . . . . 78 E N . 16514 2
354 . 1 1 79 79 THR H H 1 8.093 0.012 . 1 . . . . 79 T H . 16514 2
355 . 1 1 79 79 THR C C 13 175.843 0.011 . 1 . . . . 79 T C . 16514 2
356 . 1 1 79 79 THR CA C 13 63.848 0.048 . 1 . . . . 79 T CA . 16514 2
357 . 1 1 79 79 THR CB C 13 69.259 0.112 . 1 . . . . 79 T CB . 16514 2
358 . 1 1 79 79 THR N N 15 114.086 0.045 . 1 . . . . 79 T N . 16514 2
359 . 1 1 80 80 SER H H 1 8.245 0.003 . 1 . . . . 80 S H . 16514 2
360 . 1 1 80 80 SER C C 13 175.441 0.000 . 1 . . . . 80 S C . 16514 2
361 . 1 1 80 80 SER CA C 13 61.041 0.012 . 1 . . . . 80 S CA . 16514 2
362 . 1 1 80 80 SER CB C 13 63.520 0.010 . 1 . . . . 80 S CB . 16514 2
363 . 1 1 80 80 SER N N 15 118.001 0.017 . 1 . . . . 80 S N . 16514 2
364 . 1 1 81 81 ALA H H 1 8.452 0.005 . 1 . . . . 81 A H . 16514 2
365 . 1 1 81 81 ALA C C 13 178.522 0.037 . 1 . . . . 81 A C . 16514 2
366 . 1 1 81 81 ALA CA C 13 54.738 0.000 . 1 . . . . 81 A CA . 16514 2
367 . 1 1 81 81 ALA CB C 13 18.687 0.000 . 1 . . . . 81 A CB . 16514 2
368 . 1 1 81 81 ALA N N 15 124.286 0.020 . 1 . . . . 81 A N . 16514 2
369 . 1 1 82 82 ALA H H 1 7.926 0.003 . 1 . . . . 82 A H . 16514 2
370 . 1 1 82 82 ALA C C 13 179.691 0.018 . 1 . . . . 82 A C . 16514 2
371 . 1 1 82 82 ALA CA C 13 54.693 0.011 . 1 . . . . 82 A CA . 16514 2
372 . 1 1 82 82 ALA CB C 13 18.694 0.030 . 1 . . . . 82 A CB . 16514 2
373 . 1 1 82 82 ALA N N 15 119.678 0.014 . 1 . . . . 82 A N . 16514 2
374 . 1 1 83 83 LYS H H 1 7.769 0.002 . 1 . . . . 83 K H . 16514 2
375 . 1 1 83 83 LYS C C 13 178.347 0.008 . 1 . . . . 83 K C . 16514 2
376 . 1 1 83 83 LYS CA C 13 58.704 0.024 . 1 . . . . 83 K CA . 16514 2
377 . 1 1 83 83 LYS CB C 13 32.701 0.016 . 1 . . . . 83 K CB . 16514 2
378 . 1 1 83 83 LYS N N 15 117.609 0.013 . 1 . . . . 83 K N . 16514 2
379 . 1 1 84 84 LEU H H 1 7.862 0.003 . 1 . . . . 84 L H . 16514 2
380 . 1 1 84 84 LEU C C 13 177.963 0.031 . 1 . . . . 84 L C . 16514 2
381 . 1 1 84 84 LEU CA C 13 56.980 0.045 . 1 . . . . 84 L CA . 16514 2
382 . 1 1 84 84 LEU CB C 13 42.136 0.010 . 1 . . . . 84 L CB . 16514 2
383 . 1 1 84 84 LEU N N 15 119.699 0.012 . 1 . . . . 84 L N . 16514 2
384 . 1 1 85 85 LYS H H 1 7.957 0.004 . 1 . . . . 85 K H . 16514 2
385 . 1 1 85 85 LYS C C 13 177.282 0.019 . 1 . . . . 85 K C . 16514 2
386 . 1 1 85 85 LYS CA C 13 58.439 0.031 . 1 . . . . 85 K CA . 16514 2
387 . 1 1 85 85 LYS CB C 13 32.666 0.000 . 1 . . . . 85 K CB . 16514 2
388 . 1 1 85 85 LYS N N 15 118.382 0.027 . 1 . . . . 85 K N . 16514 2
389 . 1 1 86 86 ARG H H 1 7.736 0.002 . 1 . . . . 86 R H . 16514 2
390 . 1 1 86 86 ARG C C 13 176.906 0.001 . 1 . . . . 86 R C . 16514 2
391 . 1 1 86 86 ARG CA C 13 57.588 0.000 . 1 . . . . 86 R CA . 16514 2
392 . 1 1 86 86 ARG CB C 13 30.436 0.121 . 1 . . . . 86 R CB . 16514 2
393 . 1 1 86 86 ARG N N 15 117.875 0.029 . 1 . . . . 86 R N . 16514 2
394 . 1 1 87 87 LYS H H 1 7.810 0.002 . 1 . . . . 87 K H . 16514 2
395 . 1 1 87 87 LYS C C 13 177.248 0.009 . 1 . . . . 87 K C . 16514 2
396 . 1 1 87 87 LYS CA C 13 57.650 0.045 . 1 . . . . 87 K CA . 16514 2
397 . 1 1 87 87 LYS CB C 13 33.070 0.000 . 1 . . . . 87 K CB . 16514 2
398 . 1 1 87 87 LYS N N 15 118.847 0.036 . 1 . . . . 87 K N . 16514 2
399 . 1 1 88 88 TYR H H 1 7.969 0.004 . 1 . . . . 88 Y H . 16514 2
400 . 1 1 88 88 TYR C C 13 176.009 0.001 . 1 . . . . 88 Y C . 16514 2
401 . 1 1 88 88 TYR CA C 13 58.583 0.000 . 1 . . . . 88 Y CA . 16514 2
402 . 1 1 88 88 TYR CB C 13 38.072 0.000 . 1 . . . . 88 Y CB . 16514 2
403 . 1 1 88 88 TYR N N 15 117.265 0.022 . 1 . . . . 88 Y N . 16514 2
404 . 1 1 89 89 TRP H H 1 7.710 0.003 . 1 . . . . 89 W H . 16514 2
405 . 1 1 89 89 TRP C C 13 176.487 0.003 . 1 . . . . 89 W C . 16514 2
406 . 1 1 89 89 TRP CA C 13 58.373 0.000 . 1 . . . . 89 W CA . 16514 2
407 . 1 1 89 89 TRP CB C 13 29.647 0.000 . 1 . . . . 89 W CB . 16514 2
408 . 1 1 89 89 TRP N N 15 119.378 0.012 . 1 . . . . 89 W N . 16514 2
409 . 1 1 90 90 TRP H H 1 7.021 0.003 . 1 . . . . 90 W H . 16514 2
410 . 1 1 90 90 TRP C C 13 176.444 0.013 . 1 . . . . 90 W C . 16514 2
411 . 1 1 90 90 TRP CA C 13 58.343 0.045 . 1 . . . . 90 W CA . 16514 2
412 . 1 1 90 90 TRP CB C 13 29.270 0.046 . 1 . . . . 90 W CB . 16514 2
413 . 1 1 90 90 TRP N N 15 119.525 0.012 . 1 . . . . 90 W N . 16514 2
414 . 1 1 91 91 LYS H H 1 7.513 0.004 . 1 . . . . 91 K H . 16514 2
415 . 1 1 91 91 LYS C C 13 176.740 0.010 . 1 . . . . 91 K C . 16514 2
416 . 1 1 91 91 LYS CA C 13 57.728 0.016 . 1 . . . . 91 K CA . 16514 2
417 . 1 1 91 91 LYS CB C 13 32.462 0.055 . 1 . . . . 91 K CB . 16514 2
418 . 1 1 91 91 LYS N N 15 118.749 0.010 . 1 . . . . 91 K N . 16514 2
419 . 1 1 92 92 ASN H H 1 7.904 0.004 . 1 . . . . 92 N H . 16514 2
420 . 1 1 92 92 ASN C C 13 175.004 0.007 . 1 . . . . 92 N C . 16514 2
421 . 1 1 92 92 ASN CA C 13 53.740 0.005 . 1 . . . . 92 N CA . 16514 2
422 . 1 1 92 92 ASN CB C 13 39.192 0.058 . 1 . . . . 92 N CB . 16514 2
423 . 1 1 92 92 ASN N N 15 116.284 0.010 . 1 . . . . 92 N N . 16514 2
424 . 1 1 93 93 LEU H H 1 7.706 0.003 . 1 . . . . 93 L H . 16514 2
425 . 1 1 93 93 LEU C C 13 176.130 0.012 . 1 . . . . 93 L C . 16514 2
426 . 1 1 93 93 LEU CA C 13 55.744 0.000 . 1 . . . . 93 L CA . 16514 2
427 . 1 1 93 93 LEU CB C 13 42.437 0.008 . 1 . . . . 93 L CB . 16514 2
428 . 1 1 93 93 LEU N N 15 121.074 0.008 . 1 . . . . 93 L N . 16514 2
429 . 1 1 94 94 LYS H H 1 7.924 0.004 . 1 . . . . 94 K H . 16514 2
430 . 1 1 94 94 LYS C C 13 175.887 0.008 . 1 . . . . 94 K C . 16514 2
431 . 1 1 94 94 LYS CA C 13 56.182 0.000 . 1 . . . . 94 K CA . 16514 2
432 . 1 1 94 94 LYS CB C 13 32.981 0.000 . 1 . . . . 94 K CB . 16514 2
433 . 1 1 94 94 LYS N N 15 119.907 0.005 . 1 . . . . 94 K N . 16514 2
434 . 1 1 95 95 MET H H 1 8.274 0.003 . 1 . . . . 95 M H . 16514 2
435 . 1 1 95 95 MET C C 13 174.811 0.008 . 1 . . . . 95 M C . 16514 2
436 . 1 1 95 95 MET CA C 13 55.929 0.044 . 1 . . . . 95 M CA . 16514 2
437 . 1 1 95 95 MET CB C 13 33.360 0.000 . 1 . . . . 95 M CB . 16514 2
438 . 1 1 95 95 MET N N 15 120.331 0.010 . 1 . . . . 95 M N . 16514 2
439 . 1 1 96 96 MET H H 1 7.658 0.004 . 1 . . . . 96 M H . 16514 2
440 . 1 1 96 96 MET C C 13 180.029 0.000 . 1 . . . . 96 M C . 16514 2
441 . 1 1 96 96 MET CA C 13 57.181 0.000 . 1 . . . . 96 M CA . 16514 2
442 . 1 1 96 96 MET CB C 13 34.200 0.000 . 1 . . . . 96 M CB . 16514 2
443 . 1 1 96 96 MET N N 15 123.745 0.015 . 1 . . . . 96 M N . 16514 2
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