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 27555
_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 .
_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 '3D (H)CANH' . . isotropic 27555 1
2 '3D (HCO)CA(CO)NH' . . isotropic 27555 1
3 '3D (HCA)CB(CA)NH' . . isotropic 27555 1
4 '3D (HCA)CB(CACO)NH' . . isotropic 27555 1
5 '3D (H)CONH' . . isotropic 27555 1
6 '3D (H)CO(CA)NH' . . isotropic 27555 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 $CcpNmr_Analysis . . 27555 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.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 6 6 TRP H H 1 8.526 . . 1 . . 1232 . . 6 TRP H . 27555 1
2 . 1 1 6 6 TRP N N 15 123.720 . . 1 . . 1487 . . 6 TRP N . 27555 1
3 . 1 1 7 7 ILE C C 13 173.876 . . 1 . . 1607 . . 7 ILE C . 27555 1
4 . 1 1 7 7 ILE CA C 13 61.133 . . 1 . . 1608 . . 7 ILE CA . 27555 1
5 . 1 1 8 8 GLN H H 1 7.577 0.019 . 1 . . 1205 . . 8 GLN H . 27555 1
6 . 1 1 8 8 GLN C C 13 175.758 0.01 . 1 . . 1345 . . 8 GLN C . 27555 1
7 . 1 1 8 8 GLN CA C 13 56.013 0.069 . 1 . . 1311 . . 8 GLN CA . 27555 1
8 . 1 1 8 8 GLN CB C 13 24.908 . . 1 . . 1312 . . 8 GLN CB . 27555 1
9 . 1 1 8 8 GLN N N 15 117.101 0.145 . 1 . . 1206 . . 8 GLN N . 27555 1
10 . 1 1 9 9 SER H H 1 8.067 0.014 . 1 . . 1204 . . 9 SER H . 27555 1
11 . 1 1 9 9 SER C C 13 172.387 . . 1 . . 1412 . . 9 SER C . 27555 1
12 . 1 1 9 9 SER CA C 13 57.963 . . 1 . . 1310 . . 9 SER CA . 27555 1
13 . 1 1 9 9 SER CB C 13 60.347 . . 1 . . 1413 . . 9 SER CB . 27555 1
14 . 1 1 9 9 SER N N 15 113.321 0.081 . 1 . . 1485 . . 9 SER N . 27555 1
15 . 1 1 10 10 LYS H H 1 7.462 0.021 . 1 . . 1186 . . 10 LYS H . 27555 1
16 . 1 1 10 10 LYS C C 13 173.096 0.008 . 1 . . 1327 . . 10 LYS C . 27555 1
17 . 1 1 10 10 LYS CA C 13 50.529 . . 1 . . 1307 . . 10 LYS CA . 27555 1
18 . 1 1 10 10 LYS CB C 13 27.408 . . 1 . . 1308 . . 10 LYS CB . 27555 1
19 . 1 1 10 10 LYS N N 15 119.721 0.211 . 1 . . 1484 . . 10 LYS N . 27555 1
20 . 1 1 11 11 ARG H H 1 7.203 0.011 . 1 . . 1147 . . 11 ARG H . 27555 1
21 . 1 1 11 11 ARG C C 13 173.263 0.07 . 1 . . 1462 . . 11 ARG C . 27555 1
22 . 1 1 11 11 ARG CA C 13 57.728 0.078 . 1 . . 1148 . . 11 ARG CA . 27555 1
23 . 1 1 11 11 ARG CB C 13 27.873 . . 1 . . 1309 . . 11 ARG CB . 27555 1
24 . 1 1 11 11 ARG N N 15 122.694 0.106 . 1 . . 1482 . . 11 ARG N . 27555 1
25 . 1 1 12 12 GLU H H 1 8.060 0.046 . 1 . . 1465 . . 12 GLU H . 27555 1
26 . 1 1 12 12 GLU C C 13 174.232 0.046 . 1 . . 1352 . . 12 GLU C . 27555 1
27 . 1 1 12 12 GLU CA C 13 56.428 0.066 . 1 . . 1347 . . 12 GLU CA . 27555 1
28 . 1 1 12 12 GLU CB C 13 27.271 0.064 . 1 . . 1348 . . 12 GLU CB . 27555 1
29 . 1 1 12 12 GLU N N 15 112.447 0.176 . 1 . . 1466 . . 12 GLU N . 27555 1
30 . 1 1 13 13 ASP H H 1 7.209 0.013 . 1 . . 1346 . . 13 ASP H . 27555 1
31 . 1 1 13 13 ASP C C 13 174.587 0.004 . 1 . . 1351 . . 13 ASP C . 27555 1
32 . 1 1 13 13 ASP CA C 13 53.581 0.013 . 1 . . 1349 . . 13 ASP CA . 27555 1
33 . 1 1 13 13 ASP CB C 13 38.231 0.017 . 1 . . 1350 . . 13 ASP CB . 27555 1
34 . 1 1 13 13 ASP N N 15 116.647 0.086 . 1 . . 1496 . . 13 ASP N . 27555 1
35 . 1 1 14 14 ILE H H 1 8.494 0.016 . 1 . . 1353 . . 14 ILE H . 27555 1
36 . 1 1 14 14 ILE C C 13 174.807 . . 1 . . 1603 . . 14 ILE C . 27555 1
37 . 1 1 14 14 ILE CA C 13 63.271 . . 1 . . 1374 . . 14 ILE CA . 27555 1
38 . 1 1 14 14 ILE CB C 13 34.717 . . 1 . . 1373 . . 14 ILE CB . 27555 1
39 . 1 1 14 14 ILE N N 15 120.313 0.117 . 1 . . 1354 . . 14 ILE N . 27555 1
40 . 1 1 18 18 MET C C 13 173.002 . . 1 . . 1599 . . 18 MET C . 27555 1
41 . 1 1 19 19 THR H H 1 9.019 0.027 . 1 . . 1598 . . 19 THR H . 27555 1
42 . 1 1 19 19 THR C C 13 171.851 0.108 . 1 . . 1386 . . 19 THR C . 27555 1
43 . 1 1 19 19 THR CA C 13 58.462 0.18 . 1 . . 1383 . . 19 THR CA . 27555 1
44 . 1 1 19 19 THR CB C 13 67.894 0.044 . 1 . . 1384 . . 19 THR CB . 27555 1
45 . 1 1 19 19 THR N N 15 118.798 0.069 . 1 . . 1597 . . 19 THR N . 27555 1
46 . 1 1 20 20 GLU H H 1 9.306 0.015 . 1 . . 1305 . . 20 GLU H . 27555 1
47 . 1 1 20 20 GLU C C 13 174.602 0.015 . 1 . . 1344 . . 20 GLU C . 27555 1
48 . 1 1 20 20 GLU CA C 13 57.298 0.009 . 1 . . 1303 . . 20 GLU CA . 27555 1
49 . 1 1 20 20 GLU CB C 13 26.433 0.051 . 1 . . 1304 . . 20 GLU CB . 27555 1
50 . 1 1 20 20 GLU N N 15 120.244 0.214 . 1 . . 1306 . . 20 GLU N . 27555 1
51 . 1 1 21 21 ALA H H 1 8.597 0.02 . 1 . . 1218 . . 21 ALA H . 27555 1
52 . 1 1 21 21 ALA C C 13 176.196 0.028 . 1 . . 1392 . . 21 ALA C . 27555 1
53 . 1 1 21 21 ALA CA C 13 51.865 0.019 . 1 . . 1301 . . 21 ALA CA . 27555 1
54 . 1 1 21 21 ALA CB C 13 15.962 . . 1 . . 1302 . . 21 ALA CB . 27555 1
55 . 1 1 21 21 ALA N N 15 116.910 0.143 . 1 . . 1494 . . 21 ALA N . 27555 1
56 . 1 1 22 22 CYS H H 1 7.512 0.01 . 1 . . 1229 . . 22 CYS H . 27555 1
57 . 1 1 22 22 CYS C C 13 173.813 0.033 . 1 . . 1393 . . 22 CYS C . 27555 1
58 . 1 1 22 22 CYS CA C 13 59.554 0.078 . 1 . . 1300 . . 22 CYS CA . 27555 1
59 . 1 1 22 22 CYS N N 15 122.609 0.101 . 1 . . 1493 . . 22 CYS N . 27555 1
60 . 1 1 23 23 LEU H H 1 8.295 0.026 . 1 . . 1230 . . 23 LEU H . 27555 1
61 . 1 1 23 23 LEU C C 13 174.991 . . 1 . . 1600 . . 23 LEU C . 27555 1
62 . 1 1 23 23 LEU CA C 13 55.239 0.023 . 1 . . 1234 . . 23 LEU CA . 27555 1
63 . 1 1 23 23 LEU CB C 13 37.214 0.055 . 1 . . 1404 . . 23 LEU CB . 27555 1
64 . 1 1 23 23 LEU N N 15 125.612 0.063 . 1 . . 1231 . . 23 LEU N . 27555 1
65 . 1 1 24 24 ASN H H 1 8.597 0.017 . 1 . . 1228 . . 24 ASN H . 27555 1
66 . 1 1 24 24 ASN C C 13 174.166 . . 1 . . 1604 . . 24 ASN C . 27555 1
67 . 1 1 24 24 ASN CA C 13 52.816 0.038 . 1 . . 1299 . . 24 ASN CA . 27555 1
68 . 1 1 24 24 ASN CB C 13 34.503 0.032 . 1 . . 1298 . . 24 ASN CB . 27555 1
69 . 1 1 24 24 ASN N N 15 118.365 0.122 . 1 . . 1516 . . 24 ASN N . 27555 1
70 . 1 1 25 25 GLN H H 1 8.658 0.026 . 1 . . 1226 . . 25 GLN H . 27555 1
71 . 1 1 25 25 GLN C C 13 175.620 . . 1 . . 1323 . . 25 GLN C . 27555 1
72 . 1 1 25 25 GLN CA C 13 55.976 0.022 . 1 . . 1296 . . 25 GLN CA . 27555 1
73 . 1 1 25 25 GLN CB C 13 26.914 . . 1 . . 1297 . . 25 GLN CB . 27555 1
74 . 1 1 25 25 GLN N N 15 119.754 0.077 . 1 . . 1227 . . 25 GLN N . 27555 1
75 . 1 1 26 26 SER H H 1 8.204 0.016 . 1 . . 1219 . . 26 SER H . 27555 1
76 . 1 1 26 26 SER C C 13 172.142 . . 1 . . 1410 . . 26 SER C . 27555 1
77 . 1 1 26 26 SER CA C 13 60.851 0.031 . 1 . . 1293 . . 26 SER CA . 27555 1
78 . 1 1 26 26 SER CB C 13 59.660 0.073 . 1 . . 1411 . . 26 SER CB . 27555 1
79 . 1 1 26 26 SER N N 15 117.024 0.108 . 1 . . 1498 . . 26 SER N . 27555 1
80 . 1 1 27 27 LEU H H 1 7.866 0.011 . 1 . . 1220 . . 27 LEU H . 27555 1
81 . 1 1 27 27 LEU C C 13 175.100 0.007 . 1 . . 1334 . . 27 LEU C . 27555 1
82 . 1 1 27 27 LEU CA C 13 55.228 . . 1 . . 1291 . . 27 LEU CA . 27555 1
83 . 1 1 27 27 LEU CB C 13 38.134 0.081 . 1 . . 1292 . . 27 LEU CB . 27555 1
84 . 1 1 27 27 LEU N N 15 120.655 0.079 . 1 . . 1221 . . 27 LEU N . 27555 1
85 . 1 1 28 28 ASP H H 1 8.659 0.013 . 1 . . 1222 . . 28 ASP H . 27555 1
86 . 1 1 28 28 ASP C C 13 175.238 0.022 . 1 . . 1325 . . 28 ASP C . 27555 1
87 . 1 1 28 28 ASP CA C 13 55.143 . . 1 . . 1294 . . 28 ASP CA . 27555 1
88 . 1 1 28 28 ASP CB C 13 37.944 . . 1 . . 1295 . . 28 ASP CB . 27555 1
89 . 1 1 28 28 ASP N N 15 118.571 0.045 . 1 . . 1223 . . 28 ASP N . 27555 1
90 . 1 1 29 29 ALA H H 1 8.162 0.025 . 1 . . 1215 . . 29 ALA H . 27555 1
91 . 1 1 29 29 ALA C C 13 176.985 0.032 . 1 . . 1420 . . 29 ALA C . 27555 1
92 . 1 1 29 29 ALA CA C 13 51.570 0.042 . 1 . . 1290 . . 29 ALA CA . 27555 1
93 . 1 1 29 29 ALA CB C 13 15.967 0.079 . 1 . . 1421 . . 29 ALA CB . 27555 1
94 . 1 1 29 29 ALA N N 15 123.451 0.057 . 1 . . 1481 . . 29 ALA N . 27555 1
95 . 1 1 30 30 LEU H H 1 8.060 0.019 . 1 . . 1213 . . 30 LEU H . 27555 1
96 . 1 1 30 30 LEU C C 13 176.539 0.002 . 1 . . 1322 . . 30 LEU C . 27555 1
97 . 1 1 30 30 LEU CA C 13 54.938 0.025 . 1 . . 1289 . . 30 LEU CA . 27555 1
98 . 1 1 30 30 LEU CB C 13 39.185 0.011 . 1 . . 1288 . . 30 LEU CB . 27555 1
99 . 1 1 30 30 LEU N N 15 120.012 0.121 . 1 . . 1214 . . 30 LEU N . 27555 1
100 . 1 1 31 31 LEU H H 1 8.725 0.007 . 1 . . 1216 . . 31 LEU H . 27555 1
101 . 1 1 31 31 LEU C C 13 178.059 0.014 . 1 . . 1401 . . 31 LEU C . 27555 1
102 . 1 1 31 31 LEU CA C 13 54.845 0.011 . 1 . . 1402 . . 31 LEU CA . 27555 1
103 . 1 1 31 31 LEU CB C 13 39.479 0.038 . 1 . . 1287 . . 31 LEU CB . 27555 1
104 . 1 1 31 31 LEU N N 15 121.757 0.09 . 1 . . 1513 . . 31 LEU N . 27555 1
105 . 1 1 32 32 SER H H 1 8.355 0.011 . 1 . . 1217 . . 32 SER H . 27555 1
106 . 1 1 32 32 SER C C 13 172.416 0.019 . 1 . . 1416 . . 32 SER C . 27555 1
107 . 1 1 32 32 SER CA C 13 58.309 0.0 . 1 . . 1286 . . 32 SER CA . 27555 1
108 . 1 1 32 32 SER CB C 13 60.942 0.057 . 1 . . 1417 . . 32 SER CB . 27555 1
109 . 1 1 32 32 SER N N 15 117.194 0.058 . 1 . . 1517 . . 32 SER N . 27555 1
110 . 1 1 33 33 ARG H H 1 7.037 0.018 . 1 . . 1283 . . 33 ARG H . 27555 1
111 . 1 1 33 33 ARG C C 13 171.319 0.037 . 1 . . 1333 . . 33 ARG C . 27555 1
112 . 1 1 33 33 ARG CA C 13 52.158 0.066 . 1 . . 1285 . . 33 ARG CA . 27555 1
113 . 1 1 33 33 ARG CB C 13 28.057 0.035 . 1 . . 1282 . . 33 ARG CB . 27555 1
114 . 1 1 33 33 ARG N N 15 117.754 0.036 . 1 . . 1284 . . 33 ARG N . 27555 1
115 . 1 1 34 34 ASP H H 1 8.113 0.015 . 1 . . 1281 . . 34 ASP H . 27555 1
116 . 1 1 34 34 ASP C C 13 172.253 0.029 . 1 . . 1318 . . 34 ASP C . 27555 1
117 . 1 1 34 34 ASP CA C 13 52.121 0.031 . 1 . . 1279 . . 34 ASP CA . 27555 1
118 . 1 1 34 34 ASP CB C 13 37.086 0.013 . 1 . . 1280 . . 34 ASP CB . 27555 1
119 . 1 1 34 34 ASP N N 15 118.955 0.106 . 1 . . 1511 . . 34 ASP N . 27555 1
120 . 1 1 35 35 LEU H H 1 8.343 0.02 . 1 . . 1155 . . 35 LEU H . 27555 1
121 . 1 1 35 35 LEU C C 13 172.333 0.0 . 1 . . 1361 . . 35 LEU C . 27555 1
122 . 1 1 35 35 LEU CA C 13 52.180 0.006 . 1 . . 1278 . . 35 LEU CA . 27555 1
123 . 1 1 35 35 LEU CB C 13 41.590 0.07 . 1 . . 1357 . . 35 LEU CB . 27555 1
124 . 1 1 35 35 LEU N N 15 114.844 0.083 . 1 . . 1156 . . 35 LEU N . 27555 1
125 . 1 1 36 36 ILE H H 1 6.800 0.007 . 1 . . 1157 . . 36 ILE H . 27555 1
126 . 1 1 36 36 ILE C C 13 169.772 0.019 . 1 . . 1400 . . 36 ILE C . 27555 1
127 . 1 1 36 36 ILE CA C 13 53.795 0.022 . 1 . . 1372 . . 36 ILE CA . 27555 1
128 . 1 1 36 36 ILE CB C 13 39.202 0.003 . 1 . . 1371 . . 36 ILE CB . 27555 1
129 . 1 1 36 36 ILE N N 15 114.122 0.079 . 1 . . 1472 . . 36 ILE N . 27555 1
130 . 1 1 37 37 MET H H 1 9.863 0.022 . 1 . . 1158 . . 37 MET H . 27555 1
131 . 1 1 37 37 MET C C 13 174.965 . . 1 . . 1332 . . 37 MET C . 27555 1
132 . 1 1 37 37 MET CA C 13 53.237 0.032 . 1 . . 1159 . . 37 MET CA . 27555 1
133 . 1 1 37 37 MET CB C 13 30.433 . . 1 . . 1277 . . 37 MET CB . 27555 1
134 . 1 1 37 37 MET N N 15 127.860 0.039 . 1 . . 1471 . . 37 MET N . 27555 1
135 . 1 1 38 38 LYS H H 1 8.923 0.04 . 1 . . 1160 . . 38 LYS H . 27555 1
136 . 1 1 38 38 LYS C C 13 175.294 0.063 . 1 . . 1316 . . 38 LYS C . 27555 1
137 . 1 1 38 38 LYS CA C 13 57.414 0.032 . 1 . . 1161 . . 38 LYS CA . 27555 1
138 . 1 1 38 38 LYS CB C 13 26.866 . . 1 . . 1276 . . 38 LYS CB . 27555 1
139 . 1 1 38 38 LYS N N 15 125.454 0.081 . 1 . . 1489 . . 38 LYS N . 27555 1
140 . 1 1 39 39 GLU H H 1 9.387 0.015 . 1 . . 1275 . . 39 GLU H . 27555 1
141 . 1 1 39 39 GLU C C 13 174.580 0.001 . 1 . . 1331 . . 39 GLU C . 27555 1
142 . 1 1 39 39 GLU CA C 13 56.317 0.013 . 1 . . 1163 . . 39 GLU CA . 27555 1
143 . 1 1 39 39 GLU CB C 13 25.654 0.048 . 1 . . 1274 . . 39 GLU CB . 27555 1
144 . 1 1 39 39 GLU N N 15 117.528 0.078 . 1 . . 1162 . . 39 GLU N . 27555 1
145 . 1 1 40 40 ASP H H 1 6.656 0.007 . 1 . . 1164 . . 40 ASP H . 27555 1
146 . 1 1 40 40 ASP C C 13 175.750 0.011 . 1 . . 1326 . . 40 ASP C . 27555 1
147 . 1 1 40 40 ASP CA C 13 54.979 0.013 . 1 . . 1166 . . 40 ASP CA . 27555 1
148 . 1 1 40 40 ASP CB C 13 37.659 0.053 . 1 . . 1273 . . 40 ASP CB . 27555 1
149 . 1 1 40 40 ASP N N 15 118.122 0.084 . 1 . . 1165 . . 40 ASP N . 27555 1
150 . 1 1 41 41 TYR H H 1 8.332 0.029 . 1 . . 1167 . . 41 TYR H . 27555 1
151 . 1 1 41 41 TYR C C 13 174.396 0.02 . 1 . . 1330 . . 41 TYR C . 27555 1
152 . 1 1 41 41 TYR CA C 13 57.627 0.049 . 1 . . 1367 . . 41 TYR CA . 27555 1
153 . 1 1 41 41 TYR CB C 13 34.025 0.063 . 1 . . 1272 . . 41 TYR CB . 27555 1
154 . 1 1 41 41 TYR N N 15 123.023 0.047 . 1 . . 1483 . . 41 TYR N . 27555 1
155 . 1 1 42 42 GLU H H 1 8.886 0.015 . 1 . . 1168 . . 42 GLU H . 27555 1
156 . 1 1 42 42 GLU C C 13 176.149 0.002 . 1 . . 1329 . . 42 GLU C . 27555 1
157 . 1 1 42 42 GLU CA C 13 56.172 0.026 . 1 . . 1169 . . 42 GLU CA . 27555 1
158 . 1 1 42 42 GLU CB C 13 26.505 0.064 . 1 . . 1271 . . 42 GLU CB . 27555 1
159 . 1 1 42 42 GLU N N 15 123.349 0.121 . 1 . . 1491 . . 42 GLU N . 27555 1
160 . 1 1 43 43 LEU H H 1 8.387 0.011 . 1 . . 1187 . . 43 LEU H . 27555 1
161 . 1 1 43 43 LEU C C 13 176.002 0.005 . 1 . . 1321 . . 43 LEU C . 27555 1
162 . 1 1 43 43 LEU CA C 13 54.488 0.01 . 1 . . 1270 . . 43 LEU CA . 27555 1
163 . 1 1 43 43 LEU CB C 13 39.748 0.061 . 1 . . 1269 . . 43 LEU CB . 27555 1
164 . 1 1 43 43 LEU N N 15 120.424 0.07 . 1 . . 1188 . . 43 LEU N . 27555 1
165 . 1 1 44 44 VAL H H 1 7.443 0.013 . 1 . . 1268 . . 44 VAL H . 27555 1
166 . 1 1 44 44 VAL C C 13 173.403 0.016 . 1 . . 1314 . . 44 VAL C . 27555 1
167 . 1 1 44 44 VAL CA C 13 63.452 0.097 . 1 . . 1266 . . 44 VAL CA . 27555 1
168 . 1 1 44 44 VAL CB C 13 28.804 0.068 . 1 . . 1267 . . 44 VAL CB . 27555 1
169 . 1 1 44 44 VAL N N 15 116.695 0.067 . 1 . . 1478 . . 44 VAL N . 27555 1
170 . 1 1 45 45 SER H H 1 7.883 0.013 . 1 . . 1152 . . 45 SER H . 27555 1
171 . 1 1 45 45 SER C C 13 171.996 . . 1 . . 1414 . . 45 SER C . 27555 1
172 . 1 1 45 45 SER CA C 13 58.271 0.018 . 1 . . 1153 . . 45 SER CA . 27555 1
173 . 1 1 45 45 SER CB C 13 60.948 0.09 . 1 . . 1415 . . 45 SER CB . 27555 1
174 . 1 1 45 45 SER N N 15 109.324 0.024 . 1 . . 1470 . . 45 SER N . 27555 1
175 . 1 1 46 46 THR H H 1 7.497 0.011 . 1 . . 1149 . . 46 THR H . 27555 1
176 . 1 1 46 46 THR C C 13 172.583 0.006 . 1 . . 1387 . . 46 THR C . 27555 1
177 . 1 1 46 46 THR CA C 13 58.262 0.008 . 1 . . 1382 . . 46 THR CA . 27555 1
178 . 1 1 46 46 THR CB C 13 66.977 0.097 . 1 . . 1381 . . 46 THR CB . 27555 1
179 . 1 1 46 46 THR N N 15 107.111 0.074 . 1 . . 1468 . . 46 THR N . 27555 1
180 . 1 1 47 47 LYS H H 1 7.068 0.01 . 1 . . 1150 . . 47 LYS H . 27555 1
181 . 1 1 47 47 LYS C C 13 173.143 . . 1 . . 1328 . . 47 LYS C . 27555 1
182 . 1 1 47 47 LYS CA C 13 50.556 . . 1 . . 1151 . . 47 LYS CA . 27555 1
183 . 1 1 47 47 LYS CB C 13 26.437 . . 1 . . 1265 . . 47 LYS CB . 27555 1
184 . 1 1 47 47 LYS N N 15 123.879 0.102 . 1 . . 1475 . . 47 LYS N . 27555 1
185 . 1 1 48 48 PRO C C 13 174.048 . . 1 . . 1313 . . 48 PRO C . 27555 1
186 . 1 1 48 48 PRO CA C 13 62.041 . . 1 . . 1388 . . 48 PRO CA . 27555 1
187 . 1 1 48 48 PRO CB C 13 29.587 . . 1 . . 1389 . . 48 PRO CB . 27555 1
188 . 1 1 49 49 THR H H 1 6.833 0.006 . 1 . . 1154 . . 49 THR H . 27555 1
189 . 1 1 49 49 THR C C 13 170.071 0.02 . 1 . . 1379 . . 49 THR C . 27555 1
190 . 1 1 49 49 THR CA C 13 54.758 0.0 . 1 . . 1377 . . 49 THR CA . 27555 1
191 . 1 1 49 49 THR CB C 13 69.708 . . 1 . . 1378 . . 49 THR CB . 27555 1
192 . 1 1 49 49 THR N N 15 104.247 0.025 . 1 . . 1467 . . 49 THR N . 27555 1
193 . 1 1 50 50 ARG H H 1 8.906 0.009 . 1 . . 1184 . . 50 ARG H . 27555 1
194 . 1 1 50 50 ARG C C 13 174.571 0.049 . 1 . . 1315 . . 50 ARG C . 27555 1
195 . 1 1 50 50 ARG CA C 13 57.179 0.04 . 1 . . 1185 . . 50 ARG CA . 27555 1
196 . 1 1 50 50 ARG CB C 13 25.617 . . 1 . . 1264 . . 50 ARG CB . 27555 1
197 . 1 1 50 50 ARG N N 15 124.653 0.14 . 1 . . 1490 . . 50 ARG N . 27555 1
198 . 1 1 51 51 THR H H 1 9.057 0.004 . 1 . . 1195 . . 51 THR H . 27555 1
199 . 1 1 51 51 THR C C 13 172.250 . . 1 . . 1319 . . 51 THR C . 27555 1
200 . 1 1 51 51 THR CA C 13 65.272 . . 1 . . 1262 . . 51 THR CA . 27555 1
201 . 1 1 51 51 THR CB C 13 66.639 . . 1 . . 1263 . . 51 THR CB . 27555 1
202 . 1 1 51 51 THR N N 15 113.766 0.067 . 1 . . 1477 . . 51 THR N . 27555 1
203 . 1 1 52 52 SER H H 1 8.083 0.012 . 1 . . 1194 . . 52 SER H . 27555 1
204 . 1 1 52 52 SER C C 13 175.544 0.003 . 1 . . 1408 . . 52 SER C . 27555 1
205 . 1 1 52 52 SER CA C 13 58.450 0.064 . 1 . . 1261 . . 52 SER CA . 27555 1
206 . 1 1 52 52 SER CB C 13 60.305 0.033 . 1 . . 1409 . . 52 SER CB . 27555 1
207 . 1 1 52 52 SER N N 15 114.258 0.108 . 1 . . 1486 . . 52 SER N . 27555 1
208 . 1 1 53 53 LYS H H 1 8.479 0.013 . 1 . . 1193 . . 53 LYS H . 27555 1
209 . 1 1 53 53 LYS C C 13 175.063 0.009 . 1 . . 1340 . . 53 LYS C . 27555 1
210 . 1 1 53 53 LYS CA C 13 57.507 0.019 . 1 . . 1233 . . 53 LYS CA . 27555 1
211 . 1 1 53 53 LYS CB C 13 31.504 0.035 . 1 . . 1436 . . 53 LYS CB . 27555 1
212 . 1 1 53 53 LYS N N 15 126.215 0.117 . 1 . . 1474 . . 53 LYS N . 27555 1
213 . 1 1 54 54 VAL H H 1 8.281 0.016 . 1 . . 1191 . . 54 VAL H . 27555 1
214 . 1 1 54 54 VAL C C 13 175.242 0.0 . 1 . . 1422 . . 54 VAL C . 27555 1
215 . 1 1 54 54 VAL CA C 13 63.647 0.101 . 1 . . 1519 . . 54 VAL CA . 27555 1
216 . 1 1 54 54 VAL CB C 13 28.485 . . 1 . . 1518 . . 54 VAL CB . 27555 1
217 . 1 1 54 54 VAL N N 15 118.824 0.083 . 1 . . 1192 . . 54 VAL N . 27555 1
218 . 1 1 55 55 ARG H H 1 8.756 0.011 . 1 . . 1189 . . 55 ARG H . 27555 1
219 . 1 1 55 55 ARG C C 13 174.211 0.031 . 1 . . 1341 . . 55 ARG C . 27555 1
220 . 1 1 55 55 ARG CA C 13 58.266 0.039 . 1 . . 1259 . . 55 ARG CA . 27555 1
221 . 1 1 55 55 ARG CB C 13 26.870 0.007 . 1 . . 1260 . . 55 ARG CB . 27555 1
222 . 1 1 55 55 ARG N N 15 118.431 0.014 . 1 . . 1190 . . 55 ARG N . 27555 1
223 . 1 1 56 56 GLN H H 1 8.134 0.013 . 1 . . 1202 . . 56 GLN H . 27555 1
224 . 1 1 56 56 GLN C C 13 176.175 0.006 . 1 . . 1324 . . 56 GLN C . 27555 1
225 . 1 1 56 56 GLN CA C 13 55.073 0.037 . 1 . . 1258 . . 56 GLN CA . 27555 1
226 . 1 1 56 56 GLN CB C 13 24.019 0.052 . 1 . . 1257 . . 56 GLN CB . 27555 1
227 . 1 1 56 56 GLN N N 15 118.262 0.081 . 1 . . 1203 . . 56 GLN N . 27555 1
228 . 1 1 57 57 LEU H H 1 8.603 0.01 . 1 . . 1256 . . 57 LEU H . 27555 1
229 . 1 1 57 57 LEU C C 13 176.921 0.014 . 1 . . 1342 . . 57 LEU C . 27555 1
230 . 1 1 57 57 LEU CA C 13 55.384 0.001 . 1 . . 1255 . . 57 LEU CA . 27555 1
231 . 1 1 57 57 LEU CB C 13 37.507 0.057 . 1 . . 1254 . . 57 LEU CB . 27555 1
232 . 1 1 57 57 LEU N N 15 124.504 0.135 . 1 . . 1515 . . 57 LEU N . 27555 1
233 . 1 1 58 58 LEU H H 1 8.944 0.009 . 1 . . 1252 . . 58 LEU H . 27555 1
234 . 1 1 58 58 LEU C C 13 176.499 0.052 . 1 . . 1360 . . 58 LEU C . 27555 1
235 . 1 1 58 58 LEU CA C 13 55.355 . . 1 . . 1253 . . 58 LEU CA . 27555 1
236 . 1 1 58 58 LEU CB C 13 36.026 0.006 . 1 . . 1359 . . 58 LEU CB . 27555 1
237 . 1 1 58 58 LEU N N 15 123.701 0.119 . 1 . . 1514 . . 58 LEU N . 27555 1
238 . 1 1 59 59 ASP H H 1 9.221 0.016 . 1 . . 1207 . . 59 ASP H . 27555 1
239 . 1 1 59 59 ASP C C 13 176.188 . . 1 . . 1343 . . 59 ASP C . 27555 1
240 . 1 1 59 59 ASP CA C 13 54.242 0.021 . 1 . . 1236 . . 59 ASP CA . 27555 1
241 . 1 1 59 59 ASP CB C 13 36.464 0.024 . 1 . . 1249 . . 59 ASP CB . 27555 1
242 . 1 1 59 59 ASP N N 15 123.475 0.142 . 1 . . 1492 . . 59 ASP N . 27555 1
243 . 1 1 60 60 THR H H 1 8.008 0.018 . 1 . . 1210 . . 60 THR H . 27555 1
244 . 1 1 60 60 THR C C 13 171.825 . . 1 . . 1424 . . 60 THR C . 27555 1
245 . 1 1 60 60 THR CA C 13 63.901 0.021 . 1 . . 1442 . . 60 THR CA . 27555 1
246 . 1 1 60 60 THR CB C 13 65.840 0.093 . 1 . . 1443 . . 60 THR CB . 27555 1
247 . 1 1 60 60 THR N N 15 117.340 0.094 . 1 . . 1211 . . 60 THR N . 27555 1
248 . 1 1 61 61 THR H H 1 8.265 0.023 . 1 . . 1212 . . 61 THR H . 27555 1
249 . 1 1 61 61 THR C C 13 171.606 0.066 . 1 . . 1425 . . 61 THR C . 27555 1
250 . 1 1 61 61 THR CA C 13 63.974 . . 1 . . 1247 . . 61 THR CA . 27555 1
251 . 1 1 61 61 THR CB C 13 65.498 . . 1 . . 1248 . . 61 THR CB . 27555 1
252 . 1 1 61 61 THR N N 15 120.346 0.057 . 1 . . 1476 . . 61 THR N . 27555 1
253 . 1 1 62 62 ASP H H 1 7.401 0.007 . 1 . . 1576 . . 62 ASP H . 27555 1
254 . 1 1 62 62 ASP C C 13 175.530 . . 1 . . 1605 . . 62 ASP C . 27555 1
255 . 1 1 62 62 ASP CA C 13 53.736 . . 1 . . 1579 . . 62 ASP CA . 27555 1
256 . 1 1 62 62 ASP CB C 13 39.079 . . 1 . . 1578 . . 62 ASP CB . 27555 1
257 . 1 1 62 62 ASP N N 15 117.401 0.088 . 1 . . 1577 . . 62 ASP N . 27555 1
258 . 1 1 63 63 ILE H H 1 6.807 0.006 . 1 . . 1172 . . 63 ILE H . 27555 1
259 . 1 1 63 63 ILE CA C 13 59.296 . . 1 . . 1601 . . 63 ILE CA . 27555 1
260 . 1 1 63 63 ILE N N 15 115.088 0.017 . 1 . . 1173 . . 63 ILE N . 27555 1
261 . 1 1 64 64 GLN H H 1 8.013 . . 1 . . 1170 . . 64 GLN H . 27555 1
262 . 1 1 64 64 GLN N N 15 117.207 . . 1 . . 1171 . . 64 GLN N . 27555 1
263 . 1 1 65 65 GLY H H 1 7.881 . . 1 . . 1174 . . 65 GLY H . 27555 1
264 . 1 1 65 65 GLY C C 13 171.206 . . 1 . . 1339 . . 65 GLY C . 27555 1
265 . 1 1 65 65 GLY CA C 13 42.292 . . 1 . . 1246 . . 65 GLY CA . 27555 1
266 . 1 1 65 65 GLY N N 15 104.368 . . 1 . . 1175 . . 65 GLY N . 27555 1
267 . 1 1 66 66 GLU H H 1 8.355 0.014 . 1 . . 1200 . . 66 GLU H . 27555 1
268 . 1 1 66 66 GLU C C 13 174.868 0.001 . 1 . . 1338 . . 66 GLU C . 27555 1
269 . 1 1 66 66 GLU CA C 13 55.877 0.052 . 1 . . 1245 . . 66 GLU CA . 27555 1
270 . 1 1 66 66 GLU CB C 13 27.423 0.066 . 1 . . 1244 . . 66 GLU CB . 27555 1
271 . 1 1 66 66 GLU N N 15 120.740 0.118 . 1 . . 1201 . . 66 GLU N . 27555 1
272 . 1 1 67 67 GLU H H 1 8.709 0.015 . 1 . . 1198 . . 67 GLU H . 27555 1
273 . 1 1 67 67 GLU C C 13 175.153 0.036 . 1 . . 1317 . . 67 GLU C . 27555 1
274 . 1 1 67 67 GLU CA C 13 56.579 0.003 . 1 . . 1243 . . 67 GLU CA . 27555 1
275 . 1 1 67 67 GLU CB C 13 25.783 0.063 . 1 . . 1242 . . 67 GLU CB . 27555 1
276 . 1 1 67 67 GLU N N 15 118.190 0.028 . 1 . . 1199 . . 67 GLU N . 27555 1
277 . 1 1 68 68 PHE H H 1 7.749 0.013 . 1 . . 1197 . . 68 PHE H . 27555 1
278 . 1 1 68 68 PHE C C 13 173.759 0.01 . 1 . . 1337 . . 68 PHE C . 27555 1
279 . 1 1 68 68 PHE CA C 13 56.664 0.033 . 1 . . 1363 . . 68 PHE CA . 27555 1
280 . 1 1 68 68 PHE CB C 13 37.573 0.059 . 1 . . 1241 . . 68 PHE CB . 27555 1
281 . 1 1 68 68 PHE N N 15 120.477 0.121 . 1 . . 1488 . . 68 PHE N . 27555 1
282 . 1 1 69 69 ALA H H 1 8.053 0.017 . 1 . . 1196 . . 69 ALA H . 27555 1
283 . 1 1 69 69 ALA C C 13 175.876 0.057 . 1 . . 1335 . . 69 ALA C . 27555 1
284 . 1 1 69 69 ALA CA C 13 52.143 0.008 . 1 . . 1239 . . 69 ALA CA . 27555 1
285 . 1 1 69 69 ALA CB C 13 15.362 0.01 . 1 . . 1240 . . 69 ALA CB . 27555 1
286 . 1 1 69 69 ALA N N 15 118.447 0.06 . 1 . . 1495 . . 69 ALA N . 27555 1
287 . 1 1 70 70 LYS H H 1 8.809 0.013 . 1 . . 1179 . . 70 LYS H . 27555 1
288 . 1 1 70 70 LYS C C 13 175.607 0.055 . 1 . . 1320 . . 70 LYS C . 27555 1
289 . 1 1 70 70 LYS CA C 13 57.419 0.081 . 1 . . 1180 . . 70 LYS CA . 27555 1
290 . 1 1 70 70 LYS CB C 13 29.701 0.056 . 1 . . 1238 . . 70 LYS CB . 27555 1
291 . 1 1 70 70 LYS N N 15 116.744 0.145 . 1 . . 1497 . . 70 LYS N . 27555 1
292 . 1 1 71 71 VAL H H 1 7.187 0.01 . 1 . . 1176 . . 71 VAL H . 27555 1
293 . 1 1 71 71 VAL C C 13 174.099 0.018 . 1 . . 1336 . . 71 VAL C . 27555 1
294 . 1 1 71 71 VAL CA C 13 63.074 0.105 . 1 . . 1178 . . 71 VAL CA . 27555 1
295 . 1 1 71 71 VAL CB C 13 28.476 0.056 . 1 . . 1237 . . 71 VAL CB . 27555 1
296 . 1 1 71 71 VAL N N 15 118.526 0.13 . 1 . . 1177 . . 71 VAL N . 27555 1
297 . 1 1 72 72 ILE H H 1 6.958 0.014 . 1 . . 1181 . . 72 ILE H . 27555 1
298 . 1 1 72 72 ILE C C 13 174.614 0.027 . 1 . . 1602 . . 72 ILE C . 27555 1
299 . 1 1 72 72 ILE CA C 13 61.563 0.028 . 1 . . 1430 . . 72 ILE CA . 27555 1
300 . 1 1 72 72 ILE CB C 13 34.520 . . 1 . . 1427 . . 72 ILE CB . 27555 1
301 . 1 1 72 72 ILE N N 15 118.304 0.106 . 1 . . 1182 . . 72 ILE N . 27555 1
302 . 1 1 73 73 VAL H H 1 8.181 0.018 . 1 . . 1183 . . 73 VAL H . 27555 1
303 . 1 1 73 73 VAL C C 13 173.767 0.031 . 1 . . 1609 . . 73 VAL C . 27555 1
304 . 1 1 73 73 VAL CA C 13 64.362 . . 1 . . 1394 . . 73 VAL CA . 27555 1
305 . 1 1 73 73 VAL CB C 13 28.252 0.063 . 1 . . 1395 . . 73 VAL CB . 27555 1
306 . 1 1 73 73 VAL N N 15 117.291 0.115 . 1 . . 1479 . . 73 VAL N . 27555 1
307 . 1 1 74 74 GLN H H 1 7.921 0.023 . 1 . . 1396 . . 74 GLN H . 27555 1
308 . 1 1 74 74 GLN C C 13 174.607 . . 1 . . 1610 . . 74 GLN C . 27555 1
309 . 1 1 74 74 GLN CA C 13 55.736 . . 1 . . 1398 . . 74 GLN CA . 27555 1
310 . 1 1 74 74 GLN CB C 13 25.072 . . 1 . . 1399 . . 74 GLN CB . 27555 1
311 . 1 1 74 74 GLN N N 15 117.519 0.134 . 1 . . 1397 . . 74 GLN N . 27555 1
stop_
save_