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 15998
_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 .
_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
;
Extra peaks of x-linker found for a few C-terminal residues, probably the result
of the x-linker binding within the b' domain peptide binding site. Additional
15N and 1H backbone amide chemical shifts corresponding to (in ppm): 338-Leu
(123.40, 8.05), 339-Met (126.04, 7.82), 340-Ser (117.11, 8.54), 341-Gln (120.22,
7.78), 342-Glu (120.01, 8.13), 345-Glu (122.73, 8.44), 346-Asp (115.83, 8.27),
347-Trp (119.01, 7.72), 348-Asp (125.48, 8.34), 349-Lys (120.43, 7.95), 350-Gln
(123.86, 8.39)
;
_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' . . . 15998 1
2 '3D CBCA(CO)NH' . . . 15998 1
3 '3D HNCACB' . . . 15998 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 $CCPN_Analysis . . 15998 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 1 1 LYS CA C 13 53.108 0.345 . 1 . . . . 213 K CA . 15998 1
2 . 1 1 1 1 LYS N N 15 112.247 0.064 . 1 . . . . 213 K N . 15998 1
3 . 1 1 2 2 HIS H H 1 8.279 0.003 . 1 . . . . 214 H HN . 15998 1
4 . 1 1 2 2 HIS CA C 13 55.919 0.345 . 1 . . . . 214 H CA . 15998 1
5 . 1 1 2 2 HIS N N 15 120.146 0.064 . 1 . . . . 214 H N . 15998 1
6 . 1 1 3 3 ASN H H 1 7.567 0.003 . 1 . . . . 215 N HN . 15998 1
7 . 1 1 3 3 ASN CA C 13 53.243 0.345 . 1 . . . . 215 N CA . 15998 1
8 . 1 1 3 3 ASN N N 15 116.943 0.064 . 1 . . . . 215 N N . 15998 1
9 . 1 1 4 4 GLN H H 1 7.855 0.003 . 1 . . . . 216 Q HN . 15998 1
10 . 1 1 4 4 GLN CA C 13 55.837 0.345 . 1 . . . . 216 Q CA . 15998 1
11 . 1 1 4 4 GLN N N 15 120.457 0.064 . 1 . . . . 216 Q N . 15998 1
12 . 1 1 5 5 LEU H H 1 8.454 0.003 . 1 . . . . 217 L HN . 15998 1
13 . 1 1 5 5 LEU CA C 13 53.093 0.345 . 1 . . . . 217 L CA . 15998 1
14 . 1 1 5 5 LEU N N 15 123.981 0.064 . 1 . . . . 217 L N . 15998 1
15 . 1 1 7 7 LEU H H 1 8.242 0.003 . 1 . . . . 219 L HN . 15998 1
16 . 1 1 7 7 LEU CA C 13 56.830 0.345 . 1 . . . . 219 L CA . 15998 1
17 . 1 1 7 7 LEU N N 15 120.527 0.064 . 1 . . . . 219 L N . 15998 1
18 . 1 1 8 8 VAL H H 1 7.396 0.003 . 1 . . . . 220 V HN . 15998 1
19 . 1 1 8 8 VAL CA C 13 59.868 0.345 . 1 . . . . 220 V CA . 15998 1
20 . 1 1 8 8 VAL N N 15 111.563 0.064 . 1 . . . . 220 V N . 15998 1
21 . 1 1 9 9 ILE H H 1 8.740 0.003 . 1 . . . . 221 I HN . 15998 1
22 . 1 1 9 9 ILE N N 15 125.409 0.064 . 1 . . . . 221 I N . 15998 1
23 . 1 1 10 10 GLU H H 1 8.351 0.003 . 1 . . . . 222 E HN . 15998 1
24 . 1 1 10 10 GLU CA C 13 54.719 0.345 . 1 . . . . 222 E CA . 15998 1
25 . 1 1 10 10 GLU N N 15 127.615 0.064 . 1 . . . . 222 E N . 15998 1
26 . 1 1 11 11 PHE H H 1 8.737 0.003 . 1 . . . . 223 F HN . 15998 1
27 . 1 1 11 11 PHE CA C 13 59.301 0.345 . 1 . . . . 223 F CA . 15998 1
28 . 1 1 11 11 PHE N N 15 129.439 0.064 . 1 . . . . 223 F N . 15998 1
29 . 1 1 12 12 THR H H 1 7.080 0.003 . 1 . . . . 224 T HN . 15998 1
30 . 1 1 12 12 THR N N 15 118.224 0.064 . 1 . . . . 224 T N . 15998 1
31 . 1 1 13 13 GLU H H 1 9.068 0.003 . 1 . . . . 225 E HN . 15998 1
32 . 1 1 13 13 GLU CA C 13 59.605 0.345 . 1 . . . . 225 E CA . 15998 1
33 . 1 1 13 13 GLU N N 15 120.600 0.064 . 1 . . . . 225 E N . 15998 1
34 . 1 1 14 14 GLN H H 1 7.941 0.003 . 1 . . . . 226 Q HN . 15998 1
35 . 1 1 14 14 GLN CA C 13 58.347 0.345 . 1 . . . . 226 Q CA . 15998 1
36 . 1 1 14 14 GLN N N 15 114.532 0.064 . 1 . . . . 226 Q N . 15998 1
37 . 1 1 15 15 THR H H 1 7.466 0.003 . 1 . . . . 227 T HN . 15998 1
38 . 1 1 15 15 THR CA C 13 61.758 0.345 . 1 . . . . 227 T CA . 15998 1
39 . 1 1 15 15 THR N N 15 108.962 0.064 . 1 . . . . 227 T N . 15998 1
40 . 1 1 16 16 ALA H H 1 7.597 0.003 . 1 . . . . 228 A HN . 15998 1
41 . 1 1 16 16 ALA CA C 13 56.769 0.345 . 1 . . . . 228 A CA . 15998 1
42 . 1 1 16 16 ALA N N 15 125.382 0.064 . 1 . . . . 228 A N . 15998 1
43 . 1 1 18 18 LYS H H 1 7.239 0.003 . 1 . . . . 230 K HN . 15998 1
44 . 1 1 18 18 LYS CA C 13 57.578 0.345 . 1 . . . . 230 K CA . 15998 1
45 . 1 1 18 18 LYS N N 15 115.497 0.064 . 1 . . . . 230 K N . 15998 1
46 . 1 1 19 19 ILE H H 1 7.605 0.003 . 1 . . . . 231 I HN . 15998 1
47 . 1 1 19 19 ILE CA C 13 64.287 0.345 . 1 . . . . 231 I CA . 15998 1
48 . 1 1 19 19 ILE N N 15 119.490 0.064 . 1 . . . . 231 I N . 15998 1
49 . 1 1 20 20 PHE H H 1 7.921 0.003 . 1 . . . . 232 F HN . 15998 1
50 . 1 1 20 20 PHE CA C 13 59.714 0.345 . 1 . . . . 232 F CA . 15998 1
51 . 1 1 20 20 PHE N N 15 115.238 0.064 . 1 . . . . 232 F N . 15998 1
52 . 1 1 21 21 GLY H H 1 7.654 0.003 . 1 . . . . 233 G HN . 15998 1
53 . 1 1 21 21 GLY CA C 13 45.294 0.345 . 1 . . . . 233 G CA . 15998 1
54 . 1 1 21 21 GLY N N 15 106.806 0.064 . 1 . . . . 233 G N . 15998 1
55 . 1 1 22 22 GLY H H 1 7.434 0.003 . 1 . . . . 234 G HN . 15998 1
56 . 1 1 22 22 GLY CA C 13 44.758 0.345 . 1 . . . . 234 G CA . 15998 1
57 . 1 1 22 22 GLY N N 15 107.760 0.064 . 1 . . . . 234 G N . 15998 1
58 . 1 1 23 23 GLU H H 1 8.482 0.003 . 1 . . . . 235 E HN . 15998 1
59 . 1 1 23 23 GLU CA C 13 58.186 0.345 . 1 . . . . 235 E CA . 15998 1
60 . 1 1 23 23 GLU N N 15 117.309 0.064 . 1 . . . . 235 E N . 15998 1
61 . 1 1 24 24 ILE H H 1 7.825 0.003 . 1 . . . . 236 I HN . 15998 1
62 . 1 1 24 24 ILE CA C 13 61.839 0.345 . 1 . . . . 236 I CA . 15998 1
63 . 1 1 24 24 ILE N N 15 119.610 0.064 . 1 . . . . 236 I N . 15998 1
64 . 1 1 25 25 LYS H H 1 8.573 0.003 . 1 . . . . 237 K HN . 15998 1
65 . 1 1 25 25 LYS CA C 13 55.422 0.345 . 1 . . . . 237 K CA . 15998 1
66 . 1 1 25 25 LYS N N 15 125.505 0.064 . 1 . . . . 237 K N . 15998 1
67 . 1 1 26 26 THR H H 1 6.789 0.003 . 1 . . . . 238 T HN . 15998 1
68 . 1 1 26 26 THR CA C 13 62.106 0.345 . 1 . . . . 238 T CA . 15998 1
69 . 1 1 26 26 THR N N 15 116.034 0.064 . 1 . . . . 238 T N . 15998 1
70 . 1 1 27 27 HIS H H 1 8.870 0.003 . 1 . . . . 239 H HN . 15998 1
71 . 1 1 27 27 HIS CA C 13 54.084 0.345 . 1 . . . . 239 H CA . 15998 1
72 . 1 1 27 27 HIS N N 15 125.874 0.064 . 1 . . . . 239 H N . 15998 1
73 . 1 1 28 28 ILE H H 1 9.274 0.003 . 1 . . . . 240 I HN . 15998 1
74 . 1 1 28 28 ILE CA C 13 58.877 0.345 . 1 . . . . 240 I CA . 15998 1
75 . 1 1 28 28 ILE N N 15 122.550 0.064 . 1 . . . . 240 I N . 15998 1
76 . 1 1 29 29 LEU H H 1 9.073 0.003 . 1 . . . . 241 L HN . 15998 1
77 . 1 1 29 29 LEU CA C 13 53.616 0.345 . 1 . . . . 241 L CA . 15998 1
78 . 1 1 29 29 LEU N N 15 129.024 0.064 . 1 . . . . 241 L N . 15998 1
79 . 1 1 30 30 LEU H H 1 8.732 0.003 . 1 . . . . 242 L HN . 15998 1
80 . 1 1 30 30 LEU CA C 13 53.027 0.345 . 1 . . . . 242 L CA . 15998 1
81 . 1 1 30 30 LEU N N 15 123.279 0.064 . 1 . . . . 242 L N . 15998 1
82 . 1 1 31 31 PHE H H 1 9.174 0.003 . 1 . . . . 243 F HN . 15998 1
83 . 1 1 31 31 PHE CA C 13 57.042 0.345 . 1 . . . . 243 F CA . 15998 1
84 . 1 1 31 31 PHE N N 15 128.070 0.064 . 1 . . . . 243 F N . 15998 1
85 . 1 1 32 32 LEU H H 1 9.092 0.003 . 1 . . . . 244 L HN . 15998 1
86 . 1 1 32 32 LEU CA C 13 50.848 0.345 . 1 . . . . 244 L CA . 15998 1
87 . 1 1 32 32 LEU N N 15 127.194 0.064 . 1 . . . . 244 L N . 15998 1
88 . 1 1 34 34 LYS H H 1 8.284 0.003 . 1 . . . . 246 K HN . 15998 1
89 . 1 1 34 34 LYS CA C 13 58.921 0.345 . 1 . . . . 246 K CA . 15998 1
90 . 1 1 34 34 LYS N N 15 124.128 0.064 . 1 . . . . 246 K N . 15998 1
91 . 1 1 35 35 SER H H 1 7.599 0.003 . 1 . . . . 247 S HN . 15998 1
92 . 1 1 35 35 SER CA C 13 63.735 0.345 . 1 . . . . 247 S CA . 15998 1
93 . 1 1 35 35 SER N N 15 108.152 0.064 . 1 . . . . 247 S N . 15998 1
94 . 1 1 36 36 VAL H H 1 7.548 0.003 . 1 . . . . 248 V HN . 15998 1
95 . 1 1 36 36 VAL CA C 13 62.179 0.345 . 1 . . . . 248 V CA . 15998 1
96 . 1 1 36 36 VAL N N 15 123.012 0.064 . 1 . . . . 248 V N . 15998 1
97 . 1 1 37 37 SER H H 1 8.453 0.003 . 1 . . . . 249 S HN . 15998 1
98 . 1 1 37 37 SER CA C 13 59.535 0.345 . 1 . . . . 249 S CA . 15998 1
99 . 1 1 37 37 SER N N 15 120.932 0.064 . 1 . . . . 249 S N . 15998 1
100 . 1 1 38 38 ASP H H 1 9.057 0.003 . 1 . . . . 250 D HN . 15998 1
101 . 1 1 38 38 ASP CA C 13 54.178 0.345 . 1 . . . . 250 D CA . 15998 1
102 . 1 1 38 38 ASP N N 15 122.866 0.064 . 1 . . . . 250 D N . 15998 1
103 . 1 1 39 39 TYR H H 1 7.643 0.003 . 1 . . . . 251 Y HN . 15998 1
104 . 1 1 39 39 TYR CA C 13 63.076 0.345 . 1 . . . . 251 Y CA . 15998 1
105 . 1 1 39 39 TYR N N 15 120.248 0.064 . 1 . . . . 251 Y N . 15998 1
106 . 1 1 40 40 ASP H H 1 8.724 0.003 . 1 . . . . 252 D HN . 15998 1
107 . 1 1 40 40 ASP CA C 13 57.418 0.345 . 1 . . . . 252 D CA . 15998 1
108 . 1 1 40 40 ASP N N 15 114.979 0.064 . 1 . . . . 252 D N . 15998 1
109 . 1 1 41 41 GLY H H 1 7.770 0.003 . 1 . . . . 253 G HN . 15998 1
110 . 1 1 41 41 GLY CA C 13 47.138 0.345 . 1 . . . . 253 G CA . 15998 1
111 . 1 1 41 41 GLY N N 15 110.160 0.064 . 1 . . . . 253 G N . 15998 1
112 . 1 1 42 42 LYS H H 1 8.017 0.003 . 1 . . . . 254 K HN . 15998 1
113 . 1 1 42 42 LYS CA C 13 60.026 0.345 . 1 . . . . 254 K CA . 15998 1
114 . 1 1 42 42 LYS N N 15 123.280 0.064 . 1 . . . . 254 K N . 15998 1
115 . 1 1 43 43 LEU H H 1 8.185 0.003 . 1 . . . . 255 L HN . 15998 1
116 . 1 1 43 43 LEU CA C 13 57.487 0.345 . 1 . . . . 255 L CA . 15998 1
117 . 1 1 43 43 LEU N N 15 119.835 0.064 . 1 . . . . 255 L N . 15998 1
118 . 1 1 44 44 SER H H 1 8.364 0.003 . 1 . . . . 256 S HN . 15998 1
119 . 1 1 44 44 SER CA C 13 62.648 0.345 . 1 . . . . 256 S CA . 15998 1
120 . 1 1 44 44 SER N N 15 114.667 0.064 . 1 . . . . 256 S N . 15998 1
121 . 1 1 45 45 ASN H H 1 8.038 0.003 . 1 . . . . 257 N HN . 15998 1
122 . 1 1 45 45 ASN CA C 13 56.344 0.345 . 1 . . . . 257 N CA . 15998 1
123 . 1 1 45 45 ASN N N 15 121.918 0.064 . 1 . . . . 257 N N . 15998 1
124 . 1 1 46 46 PHE H H 1 7.712 0.003 . 1 . . . . 258 F HN . 15998 1
125 . 1 1 46 46 PHE CA C 13 61.774 0.345 . 1 . . . . 258 F CA . 15998 1
126 . 1 1 46 46 PHE N N 15 122.043 0.064 . 1 . . . . 258 F N . 15998 1
127 . 1 1 47 47 LYS H H 1 8.506 0.003 . 1 . . . . 259 K HN . 15998 1
128 . 1 1 47 47 LYS CA C 13 59.813 0.345 . 1 . . . . 259 K CA . 15998 1
129 . 1 1 47 47 LYS N N 15 117.163 0.064 . 1 . . . . 259 K N . 15998 1
130 . 1 1 48 48 THR H H 1 8.338 0.003 . 1 . . . . 260 T HN . 15998 1
131 . 1 1 48 48 THR CA C 13 66.543 0.345 . 1 . . . . 260 T CA . 15998 1
132 . 1 1 48 48 THR N N 15 116.642 0.064 . 1 . . . . 260 T N . 15998 1
133 . 1 1 49 49 ALA H H 1 7.672 0.003 . 1 . . . . 261 A HN . 15998 1
134 . 1 1 49 49 ALA CA C 13 54.994 0.345 . 1 . . . . 261 A CA . 15998 1
135 . 1 1 49 49 ALA N N 15 124.597 0.064 . 1 . . . . 261 A N . 15998 1
136 . 1 1 50 50 ALA H H 1 7.284 0.003 . 1 . . . . 262 A HN . 15998 1
137 . 1 1 50 50 ALA CA C 13 53.943 0.345 . 1 . . . . 262 A CA . 15998 1
138 . 1 1 50 50 ALA N N 15 119.111 0.064 . 1 . . . . 262 A N . 15998 1
139 . 1 1 51 51 GLU H H 1 6.998 0.003 . 1 . . . . 263 E HN . 15998 1
140 . 1 1 51 51 GLU CA C 13 58.774 0.345 . 1 . . . . 263 E CA . 15998 1
141 . 1 1 51 51 GLU N N 15 113.822 0.064 . 1 . . . . 263 E N . 15998 1
142 . 1 1 52 52 SER H H 1 7.507 0.003 . 1 . . . . 264 S HN . 15998 1
143 . 1 1 52 52 SER CA C 13 60.789 0.345 . 1 . . . . 264 S CA . 15998 1
144 . 1 1 52 52 SER N N 15 112.033 0.064 . 1 . . . . 264 S N . 15998 1
145 . 1 1 53 53 PHE H H 1 7.188 0.003 . 1 . . . . 265 F HN . 15998 1
146 . 1 1 53 53 PHE CA C 13 57.066 0.345 . 1 . . . . 265 F CA . 15998 1
147 . 1 1 53 53 PHE N N 15 115.949 0.064 . 1 . . . . 265 F N . 15998 1
148 . 1 1 54 54 LYS H H 1 7.356 0.003 . 1 . . . . 266 K HN . 15998 1
149 . 1 1 54 54 LYS CA C 13 58.888 0.345 . 1 . . . . 266 K CA . 15998 1
150 . 1 1 54 54 LYS N N 15 123.440 0.064 . 1 . . . . 266 K N . 15998 1
151 . 1 1 55 55 GLY H H 1 9.633 0.003 . 1 . . . . 267 G HN . 15998 1
152 . 1 1 55 55 GLY CA C 13 45.590 0.345 . 1 . . . . 267 G CA . 15998 1
153 . 1 1 55 55 GLY N N 15 115.080 0.064 . 1 . . . . 267 G N . 15998 1
154 . 1 1 56 56 LYS H H 1 8.353 0.003 . 1 . . . . 268 K HN . 15998 1
155 . 1 1 56 56 LYS CA C 13 56.068 0.345 . 1 . . . . 268 K CA . 15998 1
156 . 1 1 56 56 LYS N N 15 118.885 0.064 . 1 . . . . 268 K N . 15998 1
157 . 1 1 57 57 ILE H H 1 7.862 0.003 . 1 . . . . 269 I HN . 15998 1
158 . 1 1 57 57 ILE CA C 13 60.430 0.345 . 1 . . . . 269 I CA . 15998 1
159 . 1 1 57 57 ILE N N 15 116.447 0.064 . 1 . . . . 269 I N . 15998 1
160 . 1 1 58 58 LEU H H 1 8.423 0.003 . 1 . . . . 270 L HN . 15998 1
161 . 1 1 58 58 LEU CA C 13 54.587 0.345 . 1 . . . . 270 L CA . 15998 1
162 . 1 1 58 58 LEU N N 15 130.561 0.064 . 1 . . . . 270 L N . 15998 1
163 . 1 1 59 59 PHE H H 1 9.296 0.003 . 1 . . . . 271 F HN . 15998 1
164 . 1 1 59 59 PHE CA C 13 56.504 0.345 . 1 . . . . 271 F CA . 15998 1
165 . 1 1 59 59 PHE N N 15 130.419 0.064 . 1 . . . . 271 F N . 15998 1
166 . 1 1 60 60 ILE H H 1 9.137 0.003 . 1 . . . . 272 I HN . 15998 1
167 . 1 1 60 60 ILE CA C 13 59.000 0.345 . 1 . . . . 272 I CA . 15998 1
168 . 1 1 60 60 ILE N N 15 123.727 0.064 . 1 . . . . 272 I N . 15998 1
169 . 1 1 61 61 PHE H H 1 8.868 0.003 . 1 . . . . 273 F HN . 15998 1
170 . 1 1 61 61 PHE CA C 13 54.653 0.345 . 1 . . . . 273 F CA . 15998 1
171 . 1 1 61 61 PHE N N 15 122.206 0.064 . 1 . . . . 273 F N . 15998 1
172 . 1 1 62 62 ILE H H 1 8.789 0.003 . 1 . . . . 274 I HN . 15998 1
173 . 1 1 62 62 ILE CA C 13 59.883 0.345 . 1 . . . . 274 I CA . 15998 1
174 . 1 1 62 62 ILE N N 15 121.086 0.064 . 1 . . . . 274 I N . 15998 1
175 . 1 1 63 63 ASP H H 1 8.500 0.003 . 1 . . . . 275 D HN . 15998 1
176 . 1 1 63 63 ASP CA C 13 52.551 0.345 . 1 . . . . 275 D CA . 15998 1
177 . 1 1 63 63 ASP N N 15 123.507 0.064 . 1 . . . . 275 D N . 15998 1
178 . 1 1 64 64 SER H H 1 7.454 0.003 . 1 . . . . 276 S HN . 15998 1
179 . 1 1 64 64 SER CA C 13 60.513 0.345 . 1 . . . . 276 S CA . 15998 1
180 . 1 1 64 64 SER N N 15 123.930 0.064 . 1 . . . . 276 S N . 15998 1
181 . 1 1 65 65 ASP H H 1 8.315 0.003 . 1 . . . . 277 D HN . 15998 1
182 . 1 1 65 65 ASP CA C 13 55.710 0.345 . 1 . . . . 277 D CA . 15998 1
183 . 1 1 65 65 ASP N N 15 118.964 0.064 . 1 . . . . 277 D N . 15998 1
184 . 1 1 66 66 HIS H H 1 7.282 0.003 . 1 . . . . 278 H HN . 15998 1
185 . 1 1 66 66 HIS CA C 13 58.410 0.345 . 1 . . . . 278 H CA . 15998 1
186 . 1 1 66 66 HIS N N 15 121.464 0.064 . 1 . . . . 278 H N . 15998 1
187 . 1 1 67 67 THR H H 1 8.859 0.003 . 1 . . . . 279 T HN . 15998 1
188 . 1 1 67 67 THR CA C 13 65.783 0.345 . 1 . . . . 279 T CA . 15998 1
189 . 1 1 67 67 THR N N 15 127.641 0.064 . 1 . . . . 279 T N . 15998 1
190 . 1 1 68 68 ASP H H 1 11.157 0.003 . 1 . . . . 280 D HN . 15998 1
191 . 1 1 68 68 ASP CA C 13 56.759 0.345 . 1 . . . . 280 D CA . 15998 1
192 . 1 1 68 68 ASP N N 15 125.193 0.064 . 1 . . . . 280 D N . 15998 1
193 . 1 1 69 69 ASN H H 1 8.031 0.003 . 1 . . . . 281 N HN . 15998 1
194 . 1 1 69 69 ASN CA C 13 52.721 0.345 . 1 . . . . 281 N CA . 15998 1
195 . 1 1 69 69 ASN N N 15 115.320 0.064 . 1 . . . . 281 N N . 15998 1
196 . 1 1 70 70 GLN H H 1 7.620 0.003 . 1 . . . . 282 Q HN . 15998 1
197 . 1 1 70 70 GLN CA C 13 59.518 0.345 . 1 . . . . 282 Q CA . 15998 1
198 . 1 1 70 70 GLN N N 15 120.210 0.064 . 1 . . . . 282 Q N . 15998 1
199 . 1 1 71 71 ARG H H 1 7.670 0.003 . 1 . . . . 283 R HN . 15998 1
200 . 1 1 71 71 ARG CA C 13 55.891 0.345 . 1 . . . . 283 R CA . 15998 1
201 . 1 1 71 71 ARG N N 15 118.233 0.064 . 1 . . . . 283 R N . 15998 1
202 . 1 1 72 72 ILE H H 1 8.102 0.003 . 1 . . . . 284 I HN . 15998 1
203 . 1 1 72 72 ILE CA C 13 64.207 0.345 . 1 . . . . 284 I CA . 15998 1
204 . 1 1 72 72 ILE N N 15 120.850 0.064 . 1 . . . . 284 I N . 15998 1
205 . 1 1 73 73 LEU H H 1 7.526 0.003 . 1 . . . . 285 L HN . 15998 1
206 . 1 1 73 73 LEU CA C 13 60.587 0.345 . 1 . . . . 285 L CA . 15998 1
207 . 1 1 73 73 LEU N N 15 122.376 0.064 . 1 . . . . 285 L N . 15998 1
208 . 1 1 74 74 GLU H H 1 8.040 0.003 . 1 . . . . 286 E HN . 15998 1
209 . 1 1 74 74 GLU CA C 13 59.305 0.345 . 1 . . . . 286 E CA . 15998 1
210 . 1 1 74 74 GLU N N 15 117.373 0.064 . 1 . . . . 286 E N . 15998 1
211 . 1 1 75 75 PHE H H 1 8.432 0.003 . 1 . . . . 287 F HN . 15998 1
212 . 1 1 75 75 PHE CA C 13 58.312 0.345 . 1 . . . . 287 F CA . 15998 1
213 . 1 1 75 75 PHE N N 15 122.409 0.064 . 1 . . . . 287 F N . 15998 1
214 . 1 1 76 76 PHE H H 1 7.572 0.003 . 1 . . . . 288 F HN . 15998 1
215 . 1 1 76 76 PHE CA C 13 59.996 0.034 . 1 . . . . 288 F CA . 15998 1
216 . 1 1 76 76 PHE N N 15 112.764 0.064 . 1 . . . . 288 F N . 15998 1
217 . 1 1 77 77 GLY H H 1 8.025 0.003 . 1 . . . . 289 G HN . 15998 1
218 . 1 1 77 77 GLY CA C 13 46.721 0.345 . 1 . . . . 289 G CA . 15998 1
219 . 1 1 77 77 GLY N N 15 110.914 0.064 . 1 . . . . 289 G N . 15998 1
220 . 1 1 78 78 LEU H H 1 7.815 0.003 . 1 . . . . 290 L HN . 15998 1
221 . 1 1 78 78 LEU N N 15 121.223 0.064 . 1 . . . . 290 L N . 15998 1
222 . 1 1 79 79 LYS H H 1 8.207 0.003 . 1 . . . . 291 K HN . 15998 1
223 . 1 1 79 79 LYS CA C 13 54.039 0.345 . 1 . . . . 291 K CA . 15998 1
224 . 1 1 79 79 LYS N N 15 119.198 0.064 . 1 . . . . 291 K N . 15998 1
225 . 1 1 80 80 LYS H H 1 9.150 0.003 . 1 . . . . 292 K HN . 15998 1
226 . 1 1 80 80 LYS CA C 13 61.143 0.345 . 1 . . . . 292 K CA . 15998 1
227 . 1 1 80 80 LYS N N 15 124.515 0.064 . 1 . . . . 292 K N . 15998 1
228 . 1 1 81 81 GLU H H 1 9.465 0.003 . 1 . . . . 293 E HN . 15998 1
229 . 1 1 81 81 GLU CA C 13 58.747 0.345 . 1 . . . . 293 E CA . 15998 1
230 . 1 1 81 81 GLU N N 15 116.490 0.064 . 1 . . . . 293 E N . 15998 1
231 . 1 1 82 82 GLU H H 1 7.666 0.003 . 1 . . . . 294 E HN . 15998 1
232 . 1 1 82 82 GLU CA C 13 53.213 0.345 . 1 . . . . 294 E CA . 15998 1
233 . 1 1 82 82 GLU N N 15 117.826 0.064 . 1 . . . . 294 E N . 15998 1
234 . 1 1 83 83 CYS H H 1 7.112 0.003 . 1 . . . . 295 C HN . 15998 1
235 . 1 1 83 83 CYS CA C 13 58.405 0.345 . 1 . . . . 295 C CA . 15998 1
236 . 1 1 83 83 CYS N N 15 117.800 0.064 . 1 . . . . 295 C N . 15998 1
237 . 1 1 85 85 ALA H H 1 8.442 0.003 . 1 . . . . 297 A HN . 15998 1
238 . 1 1 85 85 ALA CA C 13 51.660 0.345 . 1 . . . . 297 A CA . 15998 1
239 . 1 1 85 85 ALA N N 15 123.199 0.064 . 1 . . . . 297 A N . 15998 1
240 . 1 1 86 86 VAL H H 1 8.676 0.003 . 1 . . . . 298 V HN . 15998 1
241 . 1 1 86 86 VAL CA C 13 59.443 0.345 . 1 . . . . 298 V CA . 15998 1
242 . 1 1 86 86 VAL N N 15 118.191 0.064 . 1 . . . . 298 V N . 15998 1
243 . 1 1 87 87 ARG H H 1 9.006 0.003 . 1 . . . . 299 R HN . 15998 1
244 . 1 1 87 87 ARG CA C 13 53.148 0.345 . 1 . . . . 299 R CA . 15998 1
245 . 1 1 87 87 ARG N N 15 123.276 0.064 . 1 . . . . 299 R N . 15998 1
246 . 1 1 88 88 LEU H H 1 8.804 0.003 . 1 . . . . 300 L HN . 15998 1
247 . 1 1 88 88 LEU CA C 13 54.439 0.345 . 1 . . . . 300 L CA . 15998 1
248 . 1 1 88 88 LEU N N 15 125.674 0.064 . 1 . . . . 300 L N . 15998 1
249 . 1 1 89 89 ILE H H 1 9.682 0.003 . 1 . . . . 301 I HN . 15998 1
250 . 1 1 89 89 ILE CA C 13 58.265 0.345 . 1 . . . . 301 I CA . 15998 1
251 . 1 1 89 89 ILE N N 15 122.053 0.064 . 1 . . . . 301 I N . 15998 1
252 . 1 1 90 90 THR H H 1 8.892 0.003 . 1 . . . . 302 T HN . 15998 1
253 . 1 1 90 90 THR CA C 13 59.027 0.345 . 1 . . . . 302 T CA . 15998 1
254 . 1 1 90 90 THR N N 15 113.685 0.064 . 1 . . . . 302 T N . 15998 1
255 . 1 1 91 91 LEU H H 1 8.661 0.003 . 1 . . . . 303 L HN . 15998 1
256 . 1 1 91 91 LEU CA C 13 54.479 0.345 . 1 . . . . 303 L CA . 15998 1
257 . 1 1 91 91 LEU N N 15 124.833 0.064 . 1 . . . . 303 L N . 15998 1
258 . 1 1 92 92 GLU H H 1 7.552 0.003 . 1 . . . . 304 E HN . 15998 1
259 . 1 1 92 92 GLU CA C 13 56.477 0.345 . 1 . . . . 304 E CA . 15998 1
260 . 1 1 92 92 GLU N N 15 123.524 0.064 . 1 . . . . 304 E N . 15998 1
261 . 1 1 93 93 GLU H H 1 8.571 0.003 . 1 . . . . 305 E HN . 15998 1
262 . 1 1 93 93 GLU CA C 13 59.354 0.345 . 1 . . . . 305 E CA . 15998 1
263 . 1 1 94 94 GLU H H 1 7.959 0.003 . 1 . . . . 306 E HN . 15998 1
264 . 1 1 94 94 GLU CA C 13 54.688 0.345 . 1 . . . . 306 E CA . 15998 1
265 . 1 1 94 94 GLU N N 15 116.072 0.064 . 1 . . . . 306 E N . 15998 1
266 . 1 1 95 95 MET H H 1 9.105 0.003 . 1 . . . . 307 M HN . 15998 1
267 . 1 1 95 95 MET CA C 13 56.470 0.345 . 1 . . . . 307 M CA . 15998 1
268 . 1 1 95 95 MET N N 15 125.240 0.064 . 1 . . . . 307 M N . 15998 1
269 . 1 1 96 96 THR H H 1 8.414 0.003 . 1 . . . . 308 T HN . 15998 1
270 . 1 1 96 96 THR CA C 13 62.091 0.345 . 1 . . . . 308 T CA . 15998 1
271 . 1 1 96 96 THR N N 15 121.297 0.064 . 1 . . . . 308 T N . 15998 1
272 . 1 1 97 97 LYS H H 1 8.787 0.003 . 1 . . . . 309 K HN . 15998 1
273 . 1 1 97 97 LYS CA C 13 54.431 0.345 . 1 . . . . 309 K CA . 15998 1
274 . 1 1 97 97 LYS N N 15 123.623 0.064 . 1 . . . . 309 K N . 15998 1
275 . 1 1 98 98 TYR H H 1 9.620 0.003 . 1 . . . . 310 Y HN . 15998 1
276 . 1 1 98 98 TYR CA C 13 57.575 0.345 . 1 . . . . 310 Y CA . 15998 1
277 . 1 1 98 98 TYR N N 15 120.029 0.064 . 1 . . . . 310 Y N . 15998 1
278 . 1 1 99 99 LYS H H 1 9.303 0.003 . 1 . . . . 311 K HN . 15998 1
279 . 1 1 99 99 LYS CA C 13 52.692 0.345 . 1 . . . . 311 K CA . 15998 1
280 . 1 1 99 99 LYS N N 15 122.561 0.064 . 1 . . . . 311 K N . 15998 1
281 . 1 1 101 101 GLU H H 1 9.093 0.003 . 1 . . . . 313 E HN . 15998 1
282 . 1 1 101 101 GLU CA C 13 57.594 0.345 . 1 . . . . 313 E CA . 15998 1
283 . 1 1 101 101 GLU N N 15 119.485 0.064 . 1 . . . . 313 E N . 15998 1
284 . 1 1 102 102 SER H H 1 7.585 0.003 . 1 . . . . 314 S HN . 15998 1
285 . 1 1 102 102 SER CA C 13 56.457 0.345 . 1 . . . . 314 S CA . 15998 1
286 . 1 1 102 102 SER N N 15 112.072 0.064 . 1 . . . . 314 S N . 15998 1
287 . 1 1 103 103 GLU H H 1 8.805 0.003 . 1 . . . . 315 E HN . 15998 1
288 . 1 1 103 103 GLU CA C 13 56.245 0.345 . 1 . . . . 315 E CA . 15998 1
289 . 1 1 104 104 GLU H H 1 8.021 0.003 . 1 . . . . 316 E HN . 15998 1
290 . 1 1 104 104 GLU CA C 13 57.754 0.345 . 1 . . . . 316 E CA . 15998 1
291 . 1 1 104 104 GLU N N 15 120.801 0.064 . 1 . . . . 316 E N . 15998 1
292 . 1 1 105 105 LEU H H 1 8.701 0.003 . 1 . . . . 317 L HN . 15998 1
293 . 1 1 105 105 LEU CA C 13 53.144 0.345 . 1 . . . . 317 L CA . 15998 1
294 . 1 1 105 105 LEU N N 15 125.227 0.064 . 1 . . . . 317 L N . 15998 1
295 . 1 1 106 106 THR H H 1 6.794 0.003 . 1 . . . . 318 T HN . 15998 1
296 . 1 1 106 106 THR CA C 13 59.511 0.345 . 1 . . . . 318 T CA . 15998 1
297 . 1 1 106 106 THR N N 15 107.901 0.064 . 1 . . . . 318 T N . 15998 1
298 . 1 1 107 107 ALA H H 1 9.371 0.003 . 1 . . . . 319 A HN . 15998 1
299 . 1 1 107 107 ALA CA C 13 55.944 0.345 . 1 . . . . 319 A CA . 15998 1
300 . 1 1 107 107 ALA N N 15 125.644 0.064 . 1 . . . . 319 A N . 15998 1
301 . 1 1 108 108 GLU H H 1 9.417 0.003 . 1 . . . . 320 E HN . 15998 1
302 . 1 1 108 108 GLU CA C 13 60.373 0.345 . 1 . . . . 320 E CA . 15998 1
303 . 1 1 108 108 GLU N N 15 118.400 0.064 . 1 . . . . 320 E N . 15998 1
304 . 1 1 109 109 ARG H H 1 7.739 0.003 . 1 . . . . 321 R HN . 15998 1
305 . 1 1 109 109 ARG CA C 13 57.860 0.345 . 1 . . . . 321 R CA . 15998 1
306 . 1 1 109 109 ARG N N 15 119.891 0.064 . 1 . . . . 321 R N . 15998 1
307 . 1 1 110 110 ILE H H 1 8.566 0.003 . 1 . . . . 322 I HN . 15998 1
308 . 1 1 110 110 ILE CA C 13 65.423 0.345 . 1 . . . . 322 I CA . 15998 1
309 . 1 1 111 111 THR H H 1 8.589 0.003 . 1 . . . . 323 T HN . 15998 1
310 . 1 1 111 111 THR CA C 13 67.726 0.345 . 1 . . . . 323 T CA . 15998 1
311 . 1 1 111 111 THR N N 15 117.034 0.064 . 1 . . . . 323 T N . 15998 1
312 . 1 1 112 112 GLU H H 1 8.117 0.003 . 1 . . . . 324 E HN . 15998 1
313 . 1 1 112 112 GLU CA C 13 59.986 0.345 . 1 . . . . 324 E CA . 15998 1
314 . 1 1 112 112 GLU N N 15 121.738 0.064 . 1 . . . . 324 E N . 15998 1
315 . 1 1 113 113 PHE H H 1 7.969 0.003 . 1 . . . . 325 F HN . 15998 1
316 . 1 1 113 113 PHE CA C 13 59.500 0.345 . 1 . . . . 325 F CA . 15998 1
317 . 1 1 113 113 PHE N N 15 119.892 0.064 . 1 . . . . 325 F N . 15998 1
318 . 1 1 114 114 CYS H H 1 7.690 0.003 . 1 . . . . 326 C HN . 15998 1
319 . 1 1 114 114 CYS CA C 13 64.318 0.345 . 1 . . . . 326 C CA . 15998 1
320 . 1 1 114 114 CYS N N 15 115.992 0.064 . 1 . . . . 326 C N . 15998 1
321 . 1 1 115 115 HIS H H 1 8.621 0.003 . 1 . . . . 327 H HN . 15998 1
322 . 1 1 115 115 HIS CA C 13 60.479 0.345 . 1 . . . . 327 H CA . 15998 1
323 . 1 1 115 115 HIS N N 15 118.145 0.064 . 1 . . . . 327 H N . 15998 1
324 . 1 1 116 116 ARG H H 1 8.827 0.003 . 1 . . . . 328 R HN . 15998 1
325 . 1 1 116 116 ARG N N 15 119.331 0.064 . 1 . . . . 328 R N . 15998 1
326 . 1 1 117 117 PHE H H 1 8.406 0.003 . 1 . . . . 329 F HN . 15998 1
327 . 1 1 117 117 PHE CA C 13 59.547 0.345 . 1 . . . . 329 F CA . 15998 1
328 . 1 1 117 117 PHE N N 15 121.087 0.064 . 1 . . . . 329 F N . 15998 1
329 . 1 1 118 118 LEU H H 1 8.195 0.003 . 1 . . . . 330 L HN . 15998 1
330 . 1 1 118 118 LEU CA C 13 57.450 0.345 . 1 . . . . 330 L CA . 15998 1
331 . 1 1 118 118 LEU N N 15 124.806 0.064 . 1 . . . . 330 L N . 15998 1
332 . 1 1 119 119 GLU H H 1 7.731 0.003 . 1 . . . . 331 E HN . 15998 1
333 . 1 1 119 119 GLU CA C 13 56.056 0.345 . 1 . . . . 331 E CA . 15998 1
334 . 1 1 119 119 GLU N N 15 116.511 0.064 . 1 . . . . 331 E N . 15998 1
335 . 1 1 120 120 GLY H H 1 7.778 0.003 . 1 . . . . 332 G HN . 15998 1
336 . 1 1 120 120 GLY CA C 13 46.543 0.345 . 1 . . . . 332 G CA . 15998 1
337 . 1 1 120 120 GLY N N 15 108.571 0.064 . 1 . . . . 332 G N . 15998 1
338 . 1 1 121 121 LYS H H 1 8.040 0.003 . 1 . . . . 333 K HN . 15998 1
339 . 1 1 121 121 LYS CA C 13 56.291 0.345 . 1 . . . . 333 K CA . 15998 1
340 . 1 1 121 121 LYS N N 15 116.586 0.064 . 1 . . . . 333 K N . 15998 1
341 . 1 1 122 122 ILE H H 1 8.028 0.003 . 1 . . . . 334 I HN . 15998 1
342 . 1 1 122 122 ILE CA C 13 58.683 0.345 . 1 . . . . 334 I CA . 15998 1
343 . 1 1 122 122 ILE N N 15 119.355 0.064 . 1 . . . . 334 I N . 15998 1
344 . 1 1 123 123 LYS H H 1 8.873 0.003 . 1 . . . . 335 K HN . 15998 1
345 . 1 1 123 123 LYS CA C 13 54.683 0.345 . 1 . . . . 335 K CA . 15998 1
346 . 1 1 123 123 LYS N N 15 129.335 0.064 . 1 . . . . 335 K N . 15998 1
347 . 1 1 125 125 HIS H H 1 8.468 0.003 . 1 . . . . 337 H HN . 15998 1
348 . 1 1 125 125 HIS CA C 13 55.189 0.345 . 1 . . . . 337 H CA . 15998 1
349 . 1 1 125 125 HIS N N 15 120.194 0.064 . 1 . . . . 337 H N . 15998 1
350 . 1 1 126 126 LEU H H 1 8.372 0.003 . 1 . . . . 338 L HN . 15998 1
351 . 1 1 126 126 LEU N N 15 126.039 0.064 . 1 . . . . 338 L N . 15998 1
352 . 1 1 127 127 MET H H 1 8.340 0.003 . 1 . . . . 339 M HN . 15998 1
353 . 1 1 127 127 MET N N 15 120.765 0.064 . 1 . . . . 339 M N . 15998 1
354 . 1 1 128 128 SER H H 1 8.254 0.003 . 1 . . . . 340 S HN . 15998 1
355 . 1 1 128 128 SER N N 15 116.455 0.064 . 1 . . . . 340 S N . 15998 1
356 . 1 1 129 129 GLN H H 1 8.002 0.003 . 1 . . . . 341 Q HN . 15998 1
357 . 1 1 129 129 GLN CA C 13 57.722 0.345 . 1 . . . . 341 Q CA . 15998 1
358 . 1 1 129 129 GLN N N 15 120.298 0.064 . 1 . . . . 341 Q N . 15998 1
359 . 1 1 130 130 GLU H H 1 8.314 0.003 . 1 . . . . 342 E HN . 15998 1
360 . 1 1 130 130 GLU N N 15 120.874 0.064 . 1 . . . . 342 E N . 15998 1
361 . 1 1 131 131 LEU H H 1 8.259 0.003 . 1 . . . . 343 L HN . 15998 1
362 . 1 1 131 131 LEU CA C 13 52.958 0.345 . 1 . . . . 343 L CA . 15998 1
363 . 1 1 131 131 LEU N N 15 124.976 0.064 . 1 . . . . 343 L N . 15998 1
364 . 1 1 133 133 GLU H H 1 8.564 0.003 . 1 . . . . 345 E HN . 15998 1
365 . 1 1 133 133 GLU CA C 13 57.153 0.345 . 1 . . . . 345 E CA . 15998 1
366 . 1 1 133 133 GLU N N 15 120.705 0.064 . 1 . . . . 345 E N . 15998 1
367 . 1 1 134 134 ASP H H 1 8.338 0.003 . 1 . . . . 346 D HN . 15998 1
368 . 1 1 134 134 ASP CA C 13 54.052 0.345 . 1 . . . . 346 D CA . 15998 1
369 . 1 1 134 134 ASP N N 15 119.191 0.064 . 1 . . . . 346 D N . 15998 1
370 . 1 1 135 135 TRP H H 1 7.808 0.003 . 1 . . . . 347 W HN . 15998 1
371 . 1 1 135 135 TRP CA C 13 58.015 0.345 . 1 . . . . 347 W CA . 15998 1
372 . 1 1 135 135 TRP N N 15 120.812 0.064 . 1 . . . . 347 W N . 15998 1
373 . 1 1 136 136 ASP H H 1 8.053 0.003 . 1 . . . . 348 D HN . 15998 1
374 . 1 1 136 136 ASP CA C 13 53.865 0.345 . 1 . . . . 348 D CA . 15998 1
375 . 1 1 136 136 ASP N N 15 120.742 0.064 . 1 . . . . 348 D N . 15998 1
376 . 1 1 137 137 LYS H H 1 7.633 0.003 . 1 . . . . 349 K HN . 15998 1
377 . 1 1 137 137 LYS CA C 13 56.065 0.345 . 1 . . . . 349 K CA . 15998 1
378 . 1 1 137 137 LYS N N 15 120.630 0.064 . 1 . . . . 349 K N . 15998 1
379 . 1 1 138 138 GLN H H 1 8.233 0.003 . 1 . . . . 350 Q HN . 15998 1
380 . 1 1 138 138 GLN CA C 13 53.457 0.345 . 1 . . . . 350 Q CA . 15998 1
381 . 1 1 138 138 GLN N N 15 123.335 0.064 . 1 . . . . 350 Q N . 15998 1
382 . 1 1 140 140 VAL H H 1 8.373 0.003 . 1 . . . . 352 V HN . 15998 1
383 . 1 1 140 140 VAL N N 15 122.157 0.064 . 1 . . . . 352 V N . 15998 1
stop_
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