Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 17417
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.05
_Assigned_chem_shift_list.Chem_shift_15N_err 0.05
_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 'averaging of resonance in different spectra'
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . isotropic 17417 1
2 '3D 1H-15N NOESY' . . isotropic 17417 1
3 '3D HNCACB' . . isotropic 17417 1
4 '3D HBHA(CO)NH' . . isotropic 17417 1
5 '3D CBCA(CO)NH' . . isotropic 17417 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 2 2 ALA HA H 1 4.286 0.005 . 1 . 380 . . 299 ALA HA . 17417 1
2 . 1 1 2 2 ALA HB1 H 1 1.342 0.005 . 1 . 379 . . 299 ALA HB1 . 17417 1
3 . 1 1 2 2 ALA HB2 H 1 1.342 0.005 . 1 . 379 . . 299 ALA HB2 . 17417 1
4 . 1 1 2 2 ALA HB3 H 1 1.342 0.005 . 1 . 379 . . 299 ALA HB3 . 17417 1
5 . 1 1 2 2 ALA CA C 13 52.683 0.05 . 1 . 364 . . 299 ALA CA . 17417 1
6 . 1 1 2 2 ALA CB C 13 19.326 0.05 . 1 . 363 . . 299 ALA CB . 17417 1
7 . 1 1 3 3 MET H H 1 8.391 0.002 . 1 . 3 . . 300 MET H . 17417 1
8 . 1 1 3 3 MET HA H 1 4.365 0.005 . 1 . 232 . . 300 MET HA . 17417 1
9 . 1 1 3 3 MET HB2 H 1 2.019 0.005 . 1 . 235 . . 300 MET HB2 . 17417 1
10 . 1 1 3 3 MET HB3 H 1 2.019 0.005 . 1 . 234 . . 300 MET HB3 . 17417 1
11 . 1 1 3 3 MET CA C 13 55.526 0.012 . 1 . 108 . . 300 MET CA . 17417 1
12 . 1 1 3 3 MET CB C 13 32.956 0.036 . 1 . 109 . . 300 MET CB . 17417 1
13 . 1 1 3 3 MET N N 15 119.678 0.053 . 1 . 4 . . 300 MET N . 17417 1
14 . 1 1 4 4 ALA H H 1 8.266 0.007 . 1 . 75 . . 301 ALA H . 17417 1
15 . 1 1 4 4 ALA HA H 1 4.283 0.008 . 1 . 233 . . 301 ALA HA . 17417 1
16 . 1 1 4 4 ALA HB1 H 1 1.322 0.01 . 1 . 236 . . 301 ALA HB1 . 17417 1
17 . 1 1 4 4 ALA HB2 H 1 1.322 0.01 . 1 . 236 . . 301 ALA HB2 . 17417 1
18 . 1 1 4 4 ALA HB3 H 1 1.322 0.01 . 1 . 236 . . 301 ALA HB3 . 17417 1
19 . 1 1 4 4 ALA CA C 13 52.550 0.045 . 1 . 79 . . 301 ALA CA . 17417 1
20 . 1 1 4 4 ALA CB C 13 19.104 0.066 . 1 . 78 . . 301 ALA CB . 17417 1
21 . 1 1 4 4 ALA N N 15 125.867 0.056 . 1 . 76 . . 301 ALA N . 17417 1
22 . 1 1 5 5 VAL H H 1 8.047 0.007 . 1 . 43 . . 302 VAL H . 17417 1
23 . 1 1 5 5 VAL HA H 1 4.018 0.002 . 1 . 237 . . 302 VAL HA . 17417 1
24 . 1 1 5 5 VAL HB H 1 2.022 0.007 . 1 . 238 . . 302 VAL HB . 17417 1
25 . 1 1 5 5 VAL CA C 13 62.565 0.031 . 1 . 83 . . 302 VAL CA . 17417 1
26 . 1 1 5 5 VAL CB C 13 32.585 0.038 . 1 . 84 . . 302 VAL CB . 17417 1
27 . 1 1 5 5 VAL N N 15 119.684 0.043 . 1 . 44 . . 302 VAL N . 17417 1
28 . 1 1 6 6 LEU H H 1 8.229 0.006 . 1 . 11 . . 303 LEU H . 17417 1
29 . 1 1 6 6 LEU HA H 1 4.300 0.006 . 1 . 239 . . 303 LEU HA . 17417 1
30 . 1 1 6 6 LEU HB2 H 1 1.622 0.001 . 1 . 240 . . 303 LEU HB2 . 17417 1
31 . 1 1 6 6 LEU HB3 H 1 1.519 0.002 . 1 . 241 . . 303 LEU HB3 . 17417 1
32 . 1 1 6 6 LEU CA C 13 55.476 0.037 . 1 . 68 . . 303 LEU CA . 17417 1
33 . 1 1 6 6 LEU CB C 13 42.315 0.022 . 1 . 67 . . 303 LEU CB . 17417 1
34 . 1 1 6 6 LEU N N 15 125.414 0.045 . 1 . 12 . . 303 LEU N . 17417 1
35 . 1 1 7 7 SER H H 1 8.124 0.007 . 1 . 15 . . 304 SER H . 17417 1
36 . 1 1 7 7 SER HA H 1 4.282 0.02 . 1 . 242 . . 304 SER HA . 17417 1
37 . 1 1 7 7 SER HB2 H 1 3.972 0.01 . 1 . 243 . . 304 SER HB2 . 17417 1
38 . 1 1 7 7 SER HB3 H 1 3.833 0.003 . 1 . 244 . . 304 SER HB3 . 17417 1
39 . 1 1 7 7 SER CA C 13 58.810 0.077 . 1 . 65 . . 304 SER CA . 17417 1
40 . 1 1 7 7 SER CB C 13 63.751 0.083 . 1 . 66 . . 304 SER CB . 17417 1
41 . 1 1 7 7 SER N N 15 116.299 0.033 . 1 . 16 . . 304 SER N . 17417 1
42 . 1 1 8 8 GLU H H 1 8.476 0.01 . 1 . 25 . . 305 GLU H . 17417 1
43 . 1 1 8 8 GLU HA H 1 4.130 0.01 . 1 . 245 . . 305 GLU HA . 17417 1
44 . 1 1 8 8 GLU HB2 H 1 2.004 0.004 . 1 . 246 . . 305 GLU HB2 . 17417 1
45 . 1 1 8 8 GLU HB3 H 1 2.004 0.004 . 1 . 247 . . 305 GLU HB3 . 17417 1
46 . 1 1 8 8 GLU CA C 13 58.217 0.025 . 1 . 70 . . 305 GLU CA . 17417 1
47 . 1 1 8 8 GLU CB C 13 29.848 0.045 . 1 . 69 . . 305 GLU CB . 17417 1
48 . 1 1 8 8 GLU N N 15 122.426 0.046 . 1 . 26 . . 305 GLU N . 17417 1
49 . 1 1 9 9 LEU H H 1 8.095 0.005 . 1 . 7 . . 306 LEU H . 17417 1
50 . 1 1 9 9 LEU HA H 1 4.152 0.013 . 1 . 269 . . 306 LEU HA . 17417 1
51 . 1 1 9 9 LEU HB2 H 1 1.593 0.001 . 1 . 270 . . 306 LEU HB2 . 17417 1
52 . 1 1 9 9 LEU HB3 H 1 1.593 0.001 . 1 . 271 . . 306 LEU HB3 . 17417 1
53 . 1 1 9 9 LEU CA C 13 56.647 0.03 . 1 . 111 . . 306 LEU CA . 17417 1
54 . 1 1 9 9 LEU CB C 13 41.975 0.015 . 1 . 110 . . 306 LEU CB . 17417 1
55 . 1 1 9 9 LEU N N 15 121.343 0.036 . 1 . 8 . . 306 LEU N . 17417 1
56 . 1 1 10 10 LYS H H 1 8.066 0.008 . 1 . 178 . . 307 LYS H . 17417 1
57 . 1 1 10 10 LYS HA H 1 4.047 0.008 . 1 . 297 . . 307 LYS HA . 17417 1
58 . 1 1 10 10 LYS HB2 H 1 1.839 0.002 . 1 . 374 . . 307 LYS HB2 . 17417 1
59 . 1 1 10 10 LYS HB3 H 1 1.839 0.002 . 1 . 373 . . 307 LYS HB3 . 17417 1
60 . 1 1 10 10 LYS CA C 13 57.412 0.05 . 1 . 272 . . 307 LYS CA . 17417 1
61 . 1 1 10 10 LYS CB C 13 32.702 0.05 . 1 . 273 . . 307 LYS CB . 17417 1
62 . 1 1 10 10 LYS N N 15 120.525 0.028 . 1 . 179 . . 307 LYS N . 17417 1
63 . 1 1 11 11 LEU H H 1 8.130 0.001 . 1 . 371 . . 308 LEU H . 17417 1
64 . 1 1 11 11 LEU HA H 1 4.115 0.001 . 1 . 296 . . 308 LEU HA . 17417 1
65 . 1 1 11 11 LEU HB2 H 1 1.586 0.005 . 1 . 375 . . 308 LEU HB2 . 17417 1
66 . 1 1 11 11 LEU HB3 H 1 1.741 0.005 . 1 . 376 . . 308 LEU HB3 . 17417 1
67 . 1 1 11 11 LEU CA C 13 57.455 0.05 . 1 . 295 . . 308 LEU CA . 17417 1
68 . 1 1 11 11 LEU CB C 13 41.769 0.05 . 1 . 294 . . 308 LEU CB . 17417 1
69 . 1 1 11 11 LEU N N 15 120.113 0.021 . 1 . 372 . . 308 LEU N . 17417 1
70 . 1 1 12 12 CYS H H 1 8.222 0.007 . 1 . 49 . . 309 CYS H . 17417 1
71 . 1 1 12 12 CYS HA H 1 4.357 0.001 . 1 . 191 . . 309 CYS HA . 17417 1
72 . 1 1 12 12 CYS HB2 H 1 3.182 0.003 . 1 . 193 . . 309 CYS HB2 . 17417 1
73 . 1 1 12 12 CYS HB3 H 1 3.182 0.003 . 1 . 192 . . 309 CYS HB3 . 17417 1
74 . 1 1 12 12 CYS CA C 13 57.826 0.005 . 1 . 138 . . 309 CYS CA . 17417 1
75 . 1 1 12 12 CYS CB C 13 39.586 0.007 . 1 . 137 . . 309 CYS CB . 17417 1
76 . 1 1 12 12 CYS N N 15 117.380 0.026 . 1 . 50 . . 309 CYS N . 17417 1
77 . 1 1 13 13 GLU H H 1 8.229 0.006 . 1 . 31 . . 310 GLU H . 17417 1
78 . 1 1 13 13 GLU HA H 1 3.950 0.018 . 1 . 274 . . 310 GLU HA . 17417 1
79 . 1 1 13 13 GLU HB2 H 1 1.938 0.005 . 1 . 378 . . 310 GLU HB2 . 17417 1
80 . 1 1 13 13 GLU HB3 H 1 1.938 0.005 . 1 . 377 . . 310 GLU HB3 . 17417 1
81 . 1 1 13 13 GLU CA C 13 59.395 0.05 . 1 . 275 . . 310 GLU CA . 17417 1
82 . 1 1 13 13 GLU CB C 13 29.749 0.05 . 1 . 276 . . 310 GLU CB . 17417 1
83 . 1 1 13 13 GLU N N 15 120.561 0.063 . 1 . 32 . . 310 GLU N . 17417 1
84 . 1 1 15 15 GLN HA H 1 4.263 0.006 . 1 . 302 . . 312 GLN HA . 17417 1
85 . 1 1 15 15 GLN HB2 H 1 2.048 0.005 . 1 . 300 . . 312 GLN HB2 . 17417 1
86 . 1 1 15 15 GLN HB3 H 1 1.912 0.005 . 1 . 301 . . 312 GLN HB3 . 17417 1
87 . 1 1 15 15 GLN HE21 H 1 7.386 0.001 . 1 . 160 . . 312 GLN HE21 . 17417 1
88 . 1 1 15 15 GLN HE22 H 1 6.806 0.005 . 1 . 162 . . 312 GLN HE22 . 17417 1
89 . 1 1 15 15 GLN CA C 13 56.785 0.05 . 1 . 298 . . 312 GLN CA . 17417 1
90 . 1 1 15 15 GLN CB C 13 30.122 0.05 . 1 . 299 . . 312 GLN CB . 17417 1
91 . 1 1 15 15 GLN NE2 N 15 111.266 0.011 . 1 . 161 . . 312 GLN NE2 . 17417 1
92 . 1 1 16 16 LEU H H 1 8.320 0.005 . 1 . 182 . . 313 LEU H . 17417 1
93 . 1 1 16 16 LEU HA H 1 4.258 0.023 . 1 . 289 . . 313 LEU HA . 17417 1
94 . 1 1 16 16 LEU HB2 H 1 1.563 0.01 . 1 . 290 . . 313 LEU HB2 . 17417 1
95 . 1 1 16 16 LEU HB3 H 1 1.563 0.01 . 1 . 291 . . 313 LEU HB3 . 17417 1
96 . 1 1 16 16 LEU CA C 13 55.695 0.006 . 1 . 278 . . 313 LEU CA . 17417 1
97 . 1 1 16 16 LEU CB C 13 42.277 0.011 . 1 . 277 . . 313 LEU CB . 17417 1
98 . 1 1 16 16 LEU N N 15 123.240 0.045 . 1 . 183 . . 313 LEU N . 17417 1
99 . 1 1 17 17 GLN H H 1 8.389 0.007 . 1 . 279 . . 314 GLN H . 17417 1
100 . 1 1 17 17 GLN HA H 1 4.074 0.004 . 1 . 286 . . 314 GLN HA . 17417 1
101 . 1 1 17 17 GLN HB2 H 1 2.243 0.005 . 1 . 288 . . 314 GLN HB2 . 17417 1
102 . 1 1 17 17 GLN HB3 H 1 2.243 0.005 . 1 . 287 . . 314 GLN HB3 . 17417 1
103 . 1 1 17 17 GLN HE21 H 1 7.585 0.002 . 1 . 154 . . 314 GLN HE21 . 17417 1
104 . 1 1 17 17 GLN HE22 H 1 6.799 0.005 . 1 . 156 . . 314 GLN HE22 . 17417 1
105 . 1 1 17 17 GLN CA C 13 59.501 0.05 . 1 . 293 . . 314 GLN CA . 17417 1
106 . 1 1 17 17 GLN CB C 13 28.445 0.05 . 1 . 292 . . 314 GLN CB . 17417 1
107 . 1 1 17 17 GLN N N 15 121.972 0.02 . 1 . 280 . . 314 GLN N . 17417 1
108 . 1 1 17 17 GLN NE2 N 15 111.535 0.031 . 1 . 155 . . 314 GLN NE2 . 17417 1
109 . 1 1 18 18 GLU H H 1 8.357 0.005 . 1 . 99 . . 315 GLU H . 17417 1
110 . 1 1 18 18 GLU HA H 1 4.056 0.016 . 1 . 283 . . 315 GLU HA . 17417 1
111 . 1 1 18 18 GLU HB2 H 1 2.085 0.007 . 1 . 284 . . 315 GLU HB2 . 17417 1
112 . 1 1 18 18 GLU HB3 H 1 2.085 0.007 . 1 . 285 . . 315 GLU HB3 . 17417 1
113 . 1 1 18 18 GLU CA C 13 59.417 0.032 . 1 . 282 . . 315 GLU CA . 17417 1
114 . 1 1 18 18 GLU CB C 13 29.006 0.028 . 1 . 281 . . 315 GLU CB . 17417 1
115 . 1 1 18 18 GLU N N 15 119.631 0.022 . 1 . 100 . . 315 GLU N . 17417 1
116 . 1 1 19 19 ARG H H 1 7.964 0.007 . 1 . 37 . . 316 ARG H . 17417 1
117 . 1 1 19 19 ARG HA H 1 4.101 0.002 . 1 . 208 . . 316 ARG HA . 17417 1
118 . 1 1 19 19 ARG HB2 H 1 1.902 0.002 . 1 . 209 . . 316 ARG HB2 . 17417 1
119 . 1 1 19 19 ARG HB3 H 1 1.902 0.002 . 1 . 210 . . 316 ARG HB3 . 17417 1
120 . 1 1 19 19 ARG CA C 13 59.006 0.009 . 1 . 131 . . 316 ARG CA . 17417 1
121 . 1 1 19 19 ARG CB C 13 30.731 0.016 . 1 . 130 . . 316 ARG CB . 17417 1
122 . 1 1 19 19 ARG N N 15 121.098 0.035 . 1 . 38 . . 316 ARG N . 17417 1
123 . 1 1 20 20 GLU H H 1 8.540 0.008 . 1 . 13 . . 317 GLU H . 17417 1
124 . 1 1 20 20 GLU HA H 1 3.885 0.005 . 1 . 211 . . 317 GLU HA . 17417 1
125 . 1 1 20 20 GLU HB2 H 1 2.117 0.012 . 1 . 212 . . 317 GLU HB2 . 17417 1
126 . 1 1 20 20 GLU HB3 H 1 2.117 0.012 . 1 . 213 . . 317 GLU HB3 . 17417 1
127 . 1 1 20 20 GLU CA C 13 60.017 0.023 . 1 . 115 . . 317 GLU CA . 17417 1
128 . 1 1 20 20 GLU CB C 13 29.280 0.049 . 1 . 114 . . 317 GLU CB . 17417 1
129 . 1 1 20 20 GLU N N 15 120.607 0.04 . 1 . 14 . . 317 GLU N . 17417 1
130 . 1 1 21 21 ARG H H 1 8.185 0.007 . 1 . 41 . . 318 ARG H . 17417 1
131 . 1 1 21 21 ARG HA H 1 3.983 0.01 . 1 . 214 . . 318 ARG HA . 17417 1
132 . 1 1 21 21 ARG HB2 H 1 1.912 0.001 . 1 . 216 . . 318 ARG HB2 . 17417 1
133 . 1 1 21 21 ARG HB3 H 1 1.912 0.001 . 1 . 215 . . 318 ARG HB3 . 17417 1
134 . 1 1 21 21 ARG CA C 13 59.688 0.001 . 1 . 132 . . 318 ARG CA . 17417 1
135 . 1 1 21 21 ARG CB C 13 30.053 0.045 . 1 . 133 . . 318 ARG CB . 17417 1
136 . 1 1 21 21 ARG N N 15 119.763 0.029 . 1 . 42 . . 318 ARG N . 17417 1
137 . 1 1 22 22 ALA H H 1 7.869 0.01 . 1 . 90 . . 319 ALA H . 17417 1
138 . 1 1 22 22 ALA HA H 1 4.163 0.007 . 1 . 187 . . 319 ALA HA . 17417 1
139 . 1 1 22 22 ALA HB1 H 1 1.491 0.006 . 1 . 189 . . 319 ALA HB1 . 17417 1
140 . 1 1 22 22 ALA HB2 H 1 1.491 0.006 . 1 . 189 . . 319 ALA HB2 . 17417 1
141 . 1 1 22 22 ALA HB3 H 1 1.491 0.006 . 1 . 189 . . 319 ALA HB3 . 17417 1
142 . 1 1 22 22 ALA CA C 13 54.842 0.018 . 1 . 170 . . 319 ALA CA . 17417 1
143 . 1 1 22 22 ALA CB C 13 18.034 0.117 . 1 . 136 . . 319 ALA CB . 17417 1
144 . 1 1 22 22 ALA N N 15 122.351 0.043 . 1 . 91 . . 319 ALA N . 17417 1
145 . 1 1 23 23 LEU H H 1 7.911 0.014 . 1 . 61 . . 320 LEU H . 17417 1
146 . 1 1 23 23 LEU HA H 1 4.017 0.01 . 1 . 188 . . 320 LEU HA . 17417 1
147 . 1 1 23 23 LEU HB2 H 1 1.815 0.005 . 1 . 217 . . 320 LEU HB2 . 17417 1
148 . 1 1 23 23 LEU HB3 H 1 1.579 0.008 . 1 . 218 . . 320 LEU HB3 . 17417 1
149 . 1 1 23 23 LEU CA C 13 57.900 0.028 . 1 . 171 . . 320 LEU CA . 17417 1
150 . 1 1 23 23 LEU CB C 13 41.597 0.021 . 1 . 96 . . 320 LEU CB . 17417 1
151 . 1 1 23 23 LEU N N 15 120.496 0.026 . 1 . 62 . . 320 LEU N . 17417 1
152 . 1 1 24 24 LYS H H 1 8.251 0.005 . 1 . 144 . . 321 LYS H . 17417 1
153 . 1 1 24 24 LYS HA H 1 4.177 0.008 . 1 . 190 . . 321 LYS HA . 17417 1
154 . 1 1 24 24 LYS HB2 H 1 1.889 0.02 . 1 . 219 . . 321 LYS HB2 . 17417 1
155 . 1 1 24 24 LYS HB3 H 1 1.919 0.01 . 1 . 220 . . 321 LYS HB3 . 17417 1
156 . 1 1 24 24 LYS CA C 13 58.789 0.016 . 1 . 172 . . 321 LYS CA . 17417 1
157 . 1 1 24 24 LYS CB C 13 31.984 0.044 . 1 . 173 . . 321 LYS CB . 17417 1
158 . 1 1 24 24 LYS N N 15 120.524 0.039 . 1 . 145 . . 321 LYS N . 17417 1
159 . 1 1 25 25 ALA H H 1 7.714 0.012 . 1 . 39 . . 322 ALA H . 17417 1
160 . 1 1 25 25 ALA HA H 1 4.188 0.018 . 1 . 194 . . 322 ALA HA . 17417 1
161 . 1 1 25 25 ALA HB1 H 1 1.468 0.004 . 1 . 105 . . 322 ALA HB1 . 17417 1
162 . 1 1 25 25 ALA HB2 H 1 1.468 0.004 . 1 . 105 . . 322 ALA HB2 . 17417 1
163 . 1 1 25 25 ALA HB3 H 1 1.468 0.004 . 1 . 105 . . 322 ALA HB3 . 17417 1
164 . 1 1 25 25 ALA CA C 13 54.947 0.013 . 1 . 103 . . 322 ALA CA . 17417 1
165 . 1 1 25 25 ALA CB C 13 17.827 0.007 . 1 . 104 . . 322 ALA CB . 17417 1
166 . 1 1 25 25 ALA N N 15 120.120 0.069 . 1 . 40 . . 322 ALA N . 17417 1
167 . 1 1 26 26 ARG H H 1 7.683 0.013 . 1 . 63 . . 323 ARG H . 17417 1
168 . 1 1 26 26 ARG HA H 1 4.013 0.004 . 1 . 195 . . 323 ARG HA . 17417 1
169 . 1 1 26 26 ARG HB2 H 1 2.089 0.01 . 1 . 221 . . 323 ARG HB2 . 17417 1
170 . 1 1 26 26 ARG HB3 H 1 1.937 0.01 . 1 . 222 . . 323 ARG HB3 . 17417 1
171 . 1 1 26 26 ARG CA C 13 59.340 0.029 . 1 . 82 . . 323 ARG CA . 17417 1
172 . 1 1 26 26 ARG CB C 13 31.716 0.074 . 1 . 81 . . 323 ARG CB . 17417 1
173 . 1 1 26 26 ARG N N 15 119.380 0.038 . 1 . 64 . . 323 ARG N . 17417 1
174 . 1 1 27 27 GLU H H 1 8.739 0.007 . 1 . 59 . . 324 GLU H . 17417 1
175 . 1 1 27 27 GLU HA H 1 3.850 0.006 . 1 . 196 . . 324 GLU HA . 17417 1
176 . 1 1 27 27 GLU HB2 H 1 2.038 0.001 . 1 . 224 . . 324 GLU HB2 . 17417 1
177 . 1 1 27 27 GLU HB3 H 1 2.038 0.001 . 1 . 223 . . 324 GLU HB3 . 17417 1
178 . 1 1 27 27 GLU CA C 13 59.827 0.002 . 1 . 86 . . 324 GLU CA . 17417 1
179 . 1 1 27 27 GLU CB C 13 29.623 0.016 . 1 . 85 . . 324 GLU CB . 17417 1
180 . 1 1 27 27 GLU N N 15 122.333 0.044 . 1 . 60 . . 324 GLU N . 17417 1
181 . 1 1 28 28 GLU H H 1 8.428 0.008 . 1 . 73 . . 325 GLU H . 17417 1
182 . 1 1 28 28 GLU HA H 1 4.044 0.002 . 1 . 197 . . 325 GLU HA . 17417 1
183 . 1 1 28 28 GLU HB2 H 1 2.167 0.005 . 1 . 225 . . 325 GLU HB2 . 17417 1
184 . 1 1 28 28 GLU HB3 H 1 2.011 0.01 . 1 . 226 . . 325 GLU HB3 . 17417 1
185 . 1 1 28 28 GLU CA C 13 59.391 0.026 . 1 . 88 . . 325 GLU CA . 17417 1
186 . 1 1 28 28 GLU CB C 13 29.525 0.036 . 1 . 87 . . 325 GLU CB . 17417 1
187 . 1 1 28 28 GLU N N 15 119.944 0.037 . 1 . 74 . . 325 GLU N . 17417 1
188 . 1 1 29 29 ARG H H 1 7.800 0.007 . 1 . 5 . . 326 ARG H . 17417 1
189 . 1 1 29 29 ARG HA H 1 4.101 0.003 . 1 . 198 . . 326 ARG HA . 17417 1
190 . 1 1 29 29 ARG HB2 H 1 1.917 0.001 . 1 . 227 . . 326 ARG HB2 . 17417 1
191 . 1 1 29 29 ARG HB3 H 1 1.917 0.001 . 1 . 228 . . 326 ARG HB3 . 17417 1
192 . 1 1 29 29 ARG CA C 13 58.954 0.034 . 1 . 184 . . 326 ARG CA . 17417 1
193 . 1 1 29 29 ARG CB C 13 29.959 0.03 . 1 . 89 . . 326 ARG CB . 17417 1
194 . 1 1 29 29 ARG N N 15 119.706 0.032 . 1 . 6 . . 326 ARG N . 17417 1
195 . 1 1 30 30 LEU H H 1 7.892 0.011 . 1 . 1 . . 327 LEU H . 17417 1
196 . 1 1 30 30 LEU HA H 1 4.045 0.002 . 1 . 229 . . 327 LEU HA . 17417 1
197 . 1 1 30 30 LEU HB2 H 1 1.834 0.007 . 1 . 230 . . 327 LEU HB2 . 17417 1
198 . 1 1 30 30 LEU HB3 H 1 1.834 0.007 . 1 . 231 . . 327 LEU HB3 . 17417 1
199 . 1 1 30 30 LEU CA C 13 57.873 0.014 . 1 . 106 . . 327 LEU CA . 17417 1
200 . 1 1 30 30 LEU CB C 13 41.537 0.017 . 1 . 107 . . 327 LEU CB . 17417 1
201 . 1 1 30 30 LEU N N 15 121.057 0.048 . 1 . 2 . . 327 LEU N . 17417 1
202 . 1 1 31 31 GLU H H 1 8.111 0.008 . 1 . 152 . . 328 GLU H . 17417 1
203 . 1 1 31 31 GLU HA H 1 4.082 0.008 . 1 . 257 . . 328 GLU HA . 17417 1
204 . 1 1 31 31 GLU HB2 H 1 2.104 0.004 . 1 . 259 . . 328 GLU HB2 . 17417 1
205 . 1 1 31 31 GLU HB3 H 1 2.104 0.004 . 1 . 258 . . 328 GLU HB3 . 17417 1
206 . 1 1 31 31 GLU CA C 13 59.331 0.015 . 1 . 185 . . 328 GLU CA . 17417 1
207 . 1 1 31 31 GLU CB C 13 29.377 0.03 . 1 . 186 . . 328 GLU CB . 17417 1
208 . 1 1 31 31 GLU N N 15 119.378 0.035 . 1 . 153 . . 328 GLU N . 17417 1
209 . 1 1 32 32 GLN H H 1 7.741 0.016 . 1 . 27 . . 329 GLN H . 17417 1
210 . 1 1 32 32 GLN HA H 1 4.023 0.012 . 1 . 254 . . 329 GLN HA . 17417 1
211 . 1 1 32 32 GLN HB2 H 1 2.161 0.005 . 1 . 255 . . 329 GLN HB2 . 17417 1
212 . 1 1 32 32 GLN HB3 H 1 2.161 0.005 . 1 . 256 . . 329 GLN HB3 . 17417 1
213 . 1 1 32 32 GLN HE21 H 1 7.591 0.002 . 1 . 157 . . 329 GLN HE21 . 17417 1
214 . 1 1 32 32 GLN HE22 H 1 6.743 0.005 . 1 . 159 . . 329 GLN HE22 . 17417 1
215 . 1 1 32 32 GLN CA C 13 58.814 0.03 . 1 . 123 . . 329 GLN CA . 17417 1
216 . 1 1 32 32 GLN CB C 13 28.144 0.062 . 1 . 122 . . 329 GLN CB . 17417 1
217 . 1 1 32 32 GLN N N 15 118.445 0.042 . 1 . 28 . . 329 GLN N . 17417 1
218 . 1 1 32 32 GLN NE2 N 15 112.000 0.025 . 1 . 158 . . 329 GLN NE2 . 17417 1
219 . 1 1 33 33 LYS H H 1 8.113 0.015 . 1 . 53 . . 330 LYS H . 17417 1
220 . 1 1 33 33 LYS HA H 1 4.044 0.001 . 1 . 253 . . 330 LYS HA . 17417 1
221 . 1 1 33 33 LYS HB2 H 1 1.933 0.01 . 1 . 303 . . 330 LYS HB2 . 17417 1
222 . 1 1 33 33 LYS HB3 H 1 1.933 0.01 . 1 . 304 . . 330 LYS HB3 . 17417 1
223 . 1 1 33 33 LYS CA C 13 58.794 0.005 . 1 . 140 . . 330 LYS CA . 17417 1
224 . 1 1 33 33 LYS CB C 13 32.044 0.038 . 1 . 139 . . 330 LYS CB . 17417 1
225 . 1 1 33 33 LYS N N 15 120.820 0.097 . 1 . 54 . . 330 LYS N . 17417 1
226 . 1 1 34 34 GLU H H 1 8.789 0.01 . 1 . 92 . . 331 GLU H . 17417 1
227 . 1 1 34 34 GLU HA H 1 3.848 0.008 . 1 . 248 . . 331 GLU HA . 17417 1
228 . 1 1 34 34 GLU HB2 H 1 2.012 0.006 . 1 . 249 . . 331 GLU HB2 . 17417 1
229 . 1 1 34 34 GLU HB3 H 1 2.178 0.009 . 1 . 250 . . 331 GLU HB3 . 17417 1
230 . 1 1 34 34 GLU CA C 13 59.787 0.05 . 1 . 268 . . 331 GLU CA . 17417 1
231 . 1 1 34 34 GLU CB C 13 29.678 0.05 . 1 . 267 . . 331 GLU CB . 17417 1
232 . 1 1 34 34 GLU N N 15 120.170 0.056 . 1 . 93 . . 331 GLU N . 17417 1
233 . 1 1 35 35 GLN H H 1 7.897 0.009 . 1 . 51 . . 332 GLN H . 17417 1
234 . 1 1 35 35 GLN HA H 1 4.079 0.008 . 1 . 260 . . 332 GLN HA . 17417 1
235 . 1 1 35 35 GLN HB2 H 1 2.191 0.006 . 1 . 262 . . 332 GLN HB2 . 17417 1
236 . 1 1 35 35 GLN HB3 H 1 2.191 0.006 . 1 . 263 . . 332 GLN HB3 . 17417 1
237 . 1 1 35 35 GLN HE21 H 1 7.467 0.001 . 1 . 164 . . 332 GLN HE21 . 17417 1
238 . 1 1 35 35 GLN HE22 H 1 6.758 0.005 . 1 . 165 . . 332 GLN HE22 . 17417 1
239 . 1 1 35 35 GLN CA C 13 58.523 0.045 . 1 . 252 . . 332 GLN CA . 17417 1
240 . 1 1 35 35 GLN CB C 13 28.138 0.044 . 1 . 251 . . 332 GLN CB . 17417 1
241 . 1 1 35 35 GLN N N 15 119.064 0.09 . 1 . 52 . . 332 GLN N . 17417 1
242 . 1 1 35 35 GLN NE2 N 15 111.791 0.017 . 1 . 163 . . 332 GLN NE2 . 17417 1
243 . 1 1 36 36 GLU H H 1 8.005 0.009 . 1 . 55 . . 333 GLU H . 17417 1
244 . 1 1 36 36 GLU HA H 1 4.012 0.007 . 1 . 261 . . 333 GLU HA . 17417 1
245 . 1 1 36 36 GLU HB2 H 1 2.108 0.005 . 1 . 264 . . 333 GLU HB2 . 17417 1
246 . 1 1 36 36 GLU HB3 H 1 2.108 0.005 . 1 . 265 . . 333 GLU HB3 . 17417 1
247 . 1 1 36 36 GLU CA C 13 58.934 0.069 . 1 . 266 . . 333 GLU CA . 17417 1
248 . 1 1 36 36 GLU CB C 13 29.666 0.028 . 1 . 141 . . 333 GLU CB . 17417 1
249 . 1 1 36 36 GLU N N 15 120.222 0.046 . 1 . 56 . . 333 GLU N . 17417 1
250 . 1 1 37 37 LEU H H 1 8.067 0.012 . 1 . 150 . . 334 LEU H . 17417 1
251 . 1 1 37 37 LEU HA H 1 4.071 0.002 . 1 . 207 . . 334 LEU HA . 17417 1
252 . 1 1 37 37 LEU HB2 H 1 1.730 0.005 . 1 . 305 . . 334 LEU HB2 . 17417 1
253 . 1 1 37 37 LEU HB3 H 1 1.578 0.002 . 1 . 306 . . 334 LEU HB3 . 17417 1
254 . 1 1 37 37 LEU CA C 13 57.126 0.016 . 1 . 181 . . 334 LEU CA . 17417 1
255 . 1 1 37 37 LEU CB C 13 41.585 0.042 . 1 . 180 . . 334 LEU CB . 17417 1
256 . 1 1 37 37 LEU N N 15 120.029 0.034 . 1 . 151 . . 334 LEU N . 17417 1
257 . 1 1 38 38 ALA H H 1 7.815 0.014 . 1 . 33 . . 335 ALA H . 17417 1
258 . 1 1 38 38 ALA HA H 1 4.170 0.007 . 1 . 206 . . 335 ALA HA . 17417 1
259 . 1 1 38 38 ALA HB1 H 1 1.452 0.001 . 1 . 308 . . 335 ALA HB3 . 17417 1
260 . 1 1 38 38 ALA HB2 H 1 1.452 0.001 . 1 . 307 . . 335 ALA HB2 . 17417 1
261 . 1 1 38 38 ALA HB3 H 1 1.452 0.001 . 1 . 308 . . 335 ALA HB3 . 17417 1
262 . 1 1 38 38 ALA CA C 13 54.415 0.043 . 1 . 126 . . 335 ALA CA . 17417 1
263 . 1 1 38 38 ALA CB C 13 18.119 0.096 . 1 . 127 . . 335 ALA CB . 17417 1
264 . 1 1 38 38 ALA N N 15 121.560 0.056 . 1 . 34 . . 335 ALA N . 17417 1
265 . 1 1 39 39 VAL H H 1 7.579 0.016 . 1 . 21 . . 336 VAL H . 17417 1
266 . 1 1 39 39 VAL HA H 1 3.794 0.011 . 1 . 204 . . 336 VAL HA . 17417 1
267 . 1 1 39 39 VAL HB H 1 2.160 0.01 . 1 . 205 . . 336 VAL HB . 17417 1
268 . 1 1 39 39 VAL CA C 13 64.779 0.019 . 1 . 175 . . 336 VAL CA . 17417 1
269 . 1 1 39 39 VAL CB C 13 31.984 0.05 . 1 . 174 . . 336 VAL CB . 17417 1
270 . 1 1 39 39 VAL N N 15 116.943 0.022 . 1 . 22 . . 336 VAL N . 17417 1
271 . 1 1 40 40 ARG H H 1 7.729 0.019 . 1 . 45 . . 337 ARG H . 17417 1
272 . 1 1 40 40 ARG HA H 1 4.072 0.004 . 1 . 203 . . 337 ARG HA . 17417 1
273 . 1 1 40 40 ARG HB2 H 1 1.888 0.01 . 1 . 309 . . 337 ARG HB2 . 17417 1
274 . 1 1 40 40 ARG HB3 H 1 1.888 0.01 . 1 . 310 . . 337 ARG HB3 . 17417 1
275 . 1 1 40 40 ARG CA C 13 57.982 0.001 . 1 . 135 . . 337 ARG CA . 17417 1
276 . 1 1 40 40 ARG CB C 13 30.800 0.003 . 1 . 134 . . 337 ARG CB . 17417 1
277 . 1 1 40 40 ARG N N 15 120.860 0.109 . 1 . 46 . . 337 ARG N . 17417 1
278 . 1 1 41 41 GLU H H 1 8.285 0.01 . 1 . 9 . . 338 GLU H . 17417 1
279 . 1 1 41 41 GLU HA H 1 4.043 0.018 . 1 . 202 . . 338 GLU HA . 17417 1
280 . 1 1 41 41 GLU HB2 H 1 2.009 0.001 . 1 . 311 . . 338 GLU HB2 . 17417 1
281 . 1 1 41 41 GLU HB3 H 1 2.148 0.01 . 1 . 312 . . 338 GLU HB3 . 17417 1
282 . 1 1 41 41 GLU CA C 13 57.759 0.02 . 1 . 112 . . 338 GLU CA . 17417 1
283 . 1 1 41 41 GLU CB C 13 30.157 0.004 . 1 . 113 . . 338 GLU CB . 17417 1
284 . 1 1 41 41 GLU N N 15 119.643 0.063 . 1 . 10 . . 338 GLU N . 17417 1
285 . 1 1 42 42 ARG H H 1 7.806 0.015 . 1 . 146 . . 339 ARG H . 17417 1
286 . 1 1 42 42 ARG HA H 1 4.228 0.008 . 1 . 201 . . 339 ARG HA . 17417 1
287 . 1 1 42 42 ARG HB2 H 1 1.853 0.004 . 1 . 313 . . 339 ARG HB2 . 17417 1
288 . 1 1 42 42 ARG HB3 H 1 1.853 0.004 . 1 . 314 . . 339 ARG HB3 . 17417 1
289 . 1 1 42 42 ARG CA C 13 56.883 0.036 . 1 . 176 . . 339 ARG CA . 17417 1
290 . 1 1 42 42 ARG CB C 13 30.438 0.039 . 1 . 177 . . 339 ARG CB . 17417 1
291 . 1 1 42 42 ARG N N 15 120.026 0.082 . 1 . 147 . . 339 ARG N . 17417 1
292 . 1 1 43 43 LEU H H 1 8.031 0.015 . 1 . 35 . . 340 LEU H . 17417 1
293 . 1 1 43 43 LEU HA H 1 4.212 0.011 . 1 . 200 . . 340 LEU HA . 17417 1
294 . 1 1 43 43 LEU HB2 H 1 1.670 0.003 . 1 . 315 . . 340 LEU HB2 . 17417 1
295 . 1 1 43 43 LEU HB3 H 1 1.544 0.005 . 1 . 316 . . 340 LEU HB3 . 17417 1
296 . 1 1 43 43 LEU CA C 13 55.561 0.025 . 1 . 129 . . 340 LEU CA . 17417 1
297 . 1 1 43 43 LEU CB C 13 42.150 0.011 . 1 . 128 . . 340 LEU CB . 17417 1
298 . 1 1 43 43 LEU N N 15 122.045 0.126 . 1 . 36 . . 340 LEU N . 17417 1
299 . 1 1 44 44 ALA H H 1 7.920 0.019 . 1 . 19 . . 341 ALA H . 17417 1
300 . 1 1 44 44 ALA HA H 1 4.293 0.01 . 1 . 143 . . 341 ALA HA . 17417 1
301 . 1 1 44 44 ALA HB1 H 1 1.368 0.001 . 1 . 142 . . 341 ALA HB1 . 17417 1
302 . 1 1 44 44 ALA HB2 H 1 1.368 0.001 . 1 . 142 . . 341 ALA HB2 . 17417 1
303 . 1 1 44 44 ALA HB3 H 1 1.368 0.001 . 1 . 142 . . 341 ALA HB3 . 17417 1
304 . 1 1 44 44 ALA CA C 13 52.430 0.004 . 1 . 118 . . 341 ALA CA . 17417 1
305 . 1 1 44 44 ALA CB C 13 19.246 0.006 . 1 . 119 . . 341 ALA CB . 17417 1
306 . 1 1 44 44 ALA N N 15 123.392 0.101 . 1 . 20 . . 341 ALA N . 17417 1
307 . 1 1 45 45 GLU H H 1 8.065 0.015 . 1 . 17 . . 342 GLU H . 17417 1
308 . 1 1 45 45 GLU HA H 1 4.252 0.007 . 1 . 199 . . 342 GLU HA . 17417 1
309 . 1 1 45 45 GLU HB2 H 1 2.060 0.005 . 1 . 381 . . 342 GLU HB2 . 17417 1
310 . 1 1 45 45 GLU HB3 H 1 1.880 0.005 . 1 . 382 . . 342 GLU HB3 . 17417 1
311 . 1 1 45 45 GLU CA C 13 56.383 0.05 . 1 . 116 . . 342 GLU CA . 17417 1
312 . 1 1 45 45 GLU CB C 13 30.675 0.011 . 1 . 117 . . 342 GLU CB . 17417 1
313 . 1 1 45 45 GLU N N 15 120.079 0.041 . 1 . 18 . . 342 GLU N . 17417 1
314 . 1 1 46 46 ASP H H 1 7.870 0.009 . 1 . 57 . . 343 ASP H . 17417 1
315 . 1 1 46 46 ASP HA H 1 4.278 0.005 . 1 . 385 . . 343 ASP HA . 17417 1
316 . 1 1 46 46 ASP HB2 H 1 2.514 0.005 . 1 . 384 . . 343 ASP HB2 . 17417 1
317 . 1 1 46 46 ASP HB3 H 1 2.514 0.005 . 1 . 383 . . 343 ASP HB3 . 17417 1
318 . 1 1 46 46 ASP CA C 13 55.970 0.038 . 1 . 72 . . 343 ASP CA . 17417 1
319 . 1 1 46 46 ASP CB C 13 42.234 0.016 . 1 . 71 . . 343 ASP CB . 17417 1
320 . 1 1 46 46 ASP N N 15 126.698 0.076 . 1 . 58 . . 343 ASP N . 17417 1
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