Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 53598
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'alpha-synuclein MSA1 CSF-derived fibrils'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
15 '2D 1H-15N HSQC-CP' . . . 53598 2
16 '2D 1H-13C HSQC-CP' . . . 53598 2
17 '3D (H)CANH' . . . 53598 2
18 '3D (HCO)CA(CO)NH' . . . 53598 2
19 '3D (HCA)CB(CA)NH' . . . 53598 2
20 '3D (HCA)CB(CACO)NH' . . . 53598 2
21 '3D (H)NCAH' . . . 53598 2
22 '3D (H)N(CO)CAH' . . . 53598 2
23 '3D (H)CONH' . . . 53598 2
24 '3D (H)CO(CA)NH' . . . 53598 2
25 '3D (H)N(CACO)NH' . . . 53598 2
26 '3D CCH-TOCSY' . . . 53598 2
27 '2D 1H-15N HSQC-J' . . . 53598 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53598 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET HA H 1 4.101856398 0 . . . . . . . 1 MET HA . 53598 2
2 . 1 . 1 1 1 MET C C 13 171.691897 0 . . . . . . . 1 MET C . 53598 2
3 . 1 . 1 1 1 MET CA C 13 55.74291552 0.06570249395 . . . . . . . 1 MET CA . 53598 2
4 . 1 . 1 1 1 MET CB C 13 34.30154571 0 . . . . . . . 1 MET CB . 53598 2
5 . 1 . 1 2 2 ASP H H 1 8.453748581 0.02187590379 . . . . . . . 2 ASP H . 53598 2
6 . 1 . 1 2 2 ASP HA H 1 5.390043172 0.02687211954 . . . . . . . 2 ASP HA . 53598 2
7 . 1 . 1 2 2 ASP C C 13 174.6132961 0.01805655259 . . . . . . . 2 ASP C . 53598 2
8 . 1 . 1 2 2 ASP CA C 13 53.42312852 0.08076389856 . . . . . . . 2 ASP CA . 53598 2
9 . 1 . 1 2 2 ASP CB C 13 43.79809071 0.1187681047 . . . . . . . 2 ASP CB . 53598 2
10 . 1 . 1 2 2 ASP N N 15 129.9213358 0.1110177878 . . . . . . . 2 ASP N . 53598 2
11 . 1 . 1 3 3 VAL H H 1 9.393424123 0.01729721779 . . . . . . . 3 VAL H . 53598 2
12 . 1 . 1 3 3 VAL HA H 1 4.98654673 0.008636983505 . . . . . . . 3 VAL HA . 53598 2
13 . 1 . 1 3 3 VAL C C 13 174.5112208 0.08572077287 . . . . . . . 3 VAL C . 53598 2
14 . 1 . 1 3 3 VAL CA C 13 61.35942403 0.1156018149 . . . . . . . 3 VAL CA . 53598 2
15 . 1 . 1 3 3 VAL CB C 13 36.31195894 0.1158600158 . . . . . . . 3 VAL CB . 53598 2
16 . 1 . 1 3 3 VAL N N 15 125.2371338 0.1422163864 . . . . . . . 3 VAL N . 53598 2
17 . 1 . 1 4 4 PHE H H 1 9.072811352 0.02977287034 . . . . . . . 4 PHE H . 53598 2
18 . 1 . 1 4 4 PHE HA H 1 6.496613269 0.004676287491 . . . . . . . 4 PHE HA . 53598 2
19 . 1 . 1 4 4 PHE CA C 13 52.62913656 0.05411237955 . . . . . . . 4 PHE CA . 53598 2
20 . 1 . 1 4 4 PHE CB C 13 41.92339449 0.1281580692 . . . . . . . 4 PHE CB . 53598 2
21 . 1 . 1 4 4 PHE N N 15 130.0597271 0.08389933084 . . . . . . . 4 PHE N . 53598 2
22 . 1 . 1 5 5 MET H H 1 9.178511345 0.01782314411 . . . . . . . 5 MET H . 53598 2
23 . 1 . 1 5 5 MET HA H 1 5.272592253 0.02712415065 . . . . . . . 5 MET HA . 53598 2
24 . 1 . 1 5 5 MET C C 13 175.2676008 0 . . . . . . . 5 MET C . 53598 2
25 . 1 . 1 5 5 MET CA C 13 54.52370614 0.07796217226 . . . . . . . 5 MET CA . 53598 2
26 . 1 . 1 5 5 MET CB C 13 37.83868212 0.08270615105 . . . . . . . 5 MET CB . 53598 2
27 . 1 . 1 5 5 MET N N 15 128.7656369 0.118045876 . . . . . . . 5 MET N . 53598 2
28 . 1 . 1 7 7 GLY CA C 13 44.68598157 0 . . . . . . . 7 GLY CA . 53598 2
29 . 1 . 1 8 8 LEU H H 1 8.689340184 0.05557229667 . . . . . . . 8 LEU H . 53598 2
30 . 1 . 1 8 8 LEU HA H 1 4.451524493 0.008699587726 . . . . . . . 8 LEU HA . 53598 2
31 . 1 . 1 8 8 LEU C C 13 175.95094 0.02416945662 . . . . . . . 8 LEU C . 53598 2
32 . 1 . 1 8 8 LEU CA C 13 56.12777009 0.1194730726 . . . . . . . 8 LEU CA . 53598 2
33 . 1 . 1 8 8 LEU CB C 13 43.56125392 0.1223346397 . . . . . . . 8 LEU CB . 53598 2
34 . 1 . 1 8 8 LEU N N 15 120.6885745 0.09262138576 . . . . . . . 8 LEU N . 53598 2
35 . 1 . 1 9 9 SER H H 1 8.818396729 0.03841415511 . . . . . . . 9 SER H . 53598 2
36 . 1 . 1 9 9 SER HA H 1 5.576474948 0.01087914319 . . . . . . . 9 SER HA . 53598 2
37 . 1 . 1 9 9 SER C C 13 172.4623441 0.01542867372 . . . . . . . 9 SER C . 53598 2
38 . 1 . 1 9 9 SER CA C 13 58.06942746 0.06071339267 . . . . . . . 9 SER CA . 53598 2
39 . 1 . 1 9 9 SER CB C 13 66.89512263 0.07468378068 . . . . . . . 9 SER CB . 53598 2
40 . 1 . 1 9 9 SER N N 15 116.9414086 0.06506512986 . . . . . . . 9 SER N . 53598 2
41 . 1 . 1 10 10 LYS H H 1 8.773594191 0.02689621546 . . . . . . . 10 LYS H . 53598 2
42 . 1 . 1 10 10 LYS HA H 1 5.452912179 0.007487632124 . . . . . . . 10 LYS HA . 53598 2
43 . 1 . 1 10 10 LYS C C 13 173.3985047 0.01719280291 . . . . . . . 10 LYS C . 53598 2
44 . 1 . 1 10 10 LYS CA C 13 55.17631085 0.07296274773 . . . . . . . 10 LYS CA . 53598 2
45 . 1 . 1 10 10 LYS CB C 13 37.15372962 0.2389278171 . . . . . . . 10 LYS CB . 53598 2
46 . 1 . 1 10 10 LYS N N 15 124.6531188 0.146042148 . . . . . . . 10 LYS N . 53598 2
47 . 1 . 1 11 11 ALA H H 1 8.620283249 0.02743586171 . . . . . . . 11 ALA H . 53598 2
48 . 1 . 1 11 11 ALA HA H 1 5.139793827 0.02380361844 . . . . . . . 11 ALA HA . 53598 2
49 . 1 . 1 11 11 ALA C C 13 176.2260033 0.006696617661 . . . . . . . 11 ALA C . 53598 2
50 . 1 . 1 11 11 ALA CA C 13 50.38987096 0.06431248001 . . . . . . . 11 ALA CA . 53598 2
51 . 1 . 1 11 11 ALA CB C 13 23.8173465 0.05596606468 . . . . . . . 11 ALA CB . 53598 2
52 . 1 . 1 11 11 ALA N N 15 125.5470334 0.1586886624 . . . . . . . 11 ALA N . 53598 2
53 . 1 . 1 12 12 LYS H H 1 8.77984832 0.01940730888 . . . . . . . 12 LYS H . 53598 2
54 . 1 . 1 12 12 LYS HA H 1 5.660339014 0.01774556952 . . . . . . . 12 LYS HA . 53598 2
55 . 1 . 1 12 12 LYS C C 13 175.9516545 0.006537333028 . . . . . . . 12 LYS C . 53598 2
56 . 1 . 1 12 12 LYS CA C 13 54.64721638 0.03866881006 . . . . . . . 12 LYS CA . 53598 2
57 . 1 . 1 12 12 LYS CB C 13 35.35699746 0.06478539712 . . . . . . . 12 LYS CB . 53598 2
58 . 1 . 1 12 12 LYS N N 15 125.3058142 0.06702229506 . . . . . . . 12 LYS N . 53598 2
59 . 1 . 1 13 13 GLU H H 1 8.464802874 0.0448927464 . . . . . . . 13 GLU H . 53598 2
60 . 1 . 1 13 13 GLU HA H 1 4.840707126 0.04223414831 . . . . . . . 13 GLU HA . 53598 2
61 . 1 . 1 13 13 GLU C C 13 176.3450834 0.005113459396 . . . . . . . 13 GLU C . 53598 2
62 . 1 . 1 13 13 GLU CA C 13 56.90477088 0.08998845707 . . . . . . . 13 GLU CA . 53598 2
63 . 1 . 1 13 13 GLU CB C 13 26.12693613 0.06921538277 . . . . . . . 13 GLU CB . 53598 2
64 . 1 . 1 13 13 GLU N N 15 123.9873686 0.06236508034 . . . . . . . 13 GLU N . 53598 2
65 . 1 . 1 14 14 GLY H H 1 6.408753778 0.02563941471 . . . . . . . 14 GLY H . 53598 2
66 . 1 . 1 14 14 GLY HA2 H 1 4.558990042 0.04049579787 . . . . . . . 14 GLY HA2 . 53598 2
67 . 1 . 1 14 14 GLY HA3 H 1 3.75038742 0.000445905413 . . . . . . . 14 GLY HA3 . 53598 2
68 . 1 . 1 14 14 GLY C C 13 171.5786747 0.006577237816 . . . . . . . 14 GLY C . 53598 2
69 . 1 . 1 14 14 GLY CA C 13 46.45847187 0.07963863296 . . . . . . . 14 GLY CA . 53598 2
70 . 1 . 1 14 14 GLY N N 15 95.95354289 0.07989664903 . . . . . . . 14 GLY N . 53598 2
71 . 1 . 1 15 15 VAL H H 1 8.642052241 0.04004816167 . . . . . . . 15 VAL H . 53598 2
72 . 1 . 1 15 15 VAL HA H 1 5.205114523 0.01249476441 . . . . . . . 15 VAL HA . 53598 2
73 . 1 . 1 15 15 VAL C C 13 175.4593047 0.01547309478 . . . . . . . 15 VAL C . 53598 2
74 . 1 . 1 15 15 VAL CA C 13 60.79676451 0.08579792598 . . . . . . . 15 VAL CA . 53598 2
75 . 1 . 1 15 15 VAL CB C 13 38.06690672 0.111214802 . . . . . . . 15 VAL CB . 53598 2
76 . 1 . 1 15 15 VAL N N 15 118.6424251 0.08737127643 . . . . . . . 15 VAL N . 53598 2
77 . 1 . 1 16 16 VAL H H 1 8.863344559 0.02583750854 . . . . . . . 16 VAL H . 53598 2
78 . 1 . 1 16 16 VAL HA H 1 4.768794614 0.02757973416 . . . . . . . 16 VAL HA . 53598 2
79 . 1 . 1 16 16 VAL C C 13 173.7543902 0.0222110347 . . . . . . . 16 VAL C . 53598 2
80 . 1 . 1 16 16 VAL CA C 13 62.23218403 0.1064431019 . . . . . . . 16 VAL CA . 53598 2
81 . 1 . 1 16 16 VAL CB C 13 33.84221086 0.1286793316 . . . . . . . 16 VAL CB . 53598 2
82 . 1 . 1 16 16 VAL N N 15 126.502929 0.05689984474 . . . . . . . 16 VAL N . 53598 2
83 . 1 . 1 17 17 ALA H H 1 9.279664045 0.03435327454 . . . . . . . 17 ALA H . 53598 2
84 . 1 . 1 17 17 ALA HA H 1 5.252741511 0.01345639172 . . . . . . . 17 ALA HA . 53598 2
85 . 1 . 1 17 17 ALA C C 13 173.7241444 0.03814095025 . . . . . . . 17 ALA C . 53598 2
86 . 1 . 1 17 17 ALA CA C 13 50.18461417 0.05344859222 . . . . . . . 17 ALA CA . 53598 2
87 . 1 . 1 17 17 ALA CB C 13 19.24353417 0.1155912615 . . . . . . . 17 ALA CB . 53598 2
88 . 1 . 1 17 17 ALA N N 15 132.4401313 0.07689909116 . . . . . . . 17 ALA N . 53598 2
89 . 1 . 1 18 18 ALA H H 1 9.257405601 0.02088172244 . . . . . . . 18 ALA H . 53598 2
90 . 1 . 1 18 18 ALA HA H 1 4.919538474 0.02226332409 . . . . . . . 18 ALA HA . 53598 2
91 . 1 . 1 18 18 ALA C C 13 174.2178392 0.04405981927 . . . . . . . 18 ALA C . 53598 2
92 . 1 . 1 18 18 ALA CA C 13 51.52948631 0.07650313606 . . . . . . . 18 ALA CA . 53598 2
93 . 1 . 1 18 18 ALA CB C 13 20.93942634 0.06378709492 . . . . . . . 18 ALA CB . 53598 2
94 . 1 . 1 18 18 ALA N N 15 128.7230376 0.07138271021 . . . . . . . 18 ALA N . 53598 2
95 . 1 . 1 19 19 ALA H H 1 10.0784592 0.02043106002 . . . . . . . 19 ALA H . 53598 2
96 . 1 . 1 19 19 ALA HA H 1 4.264758194 0.02348225859 . . . . . . . 19 ALA HA . 53598 2
97 . 1 . 1 19 19 ALA C C 13 176.6987975 0.0481292318 . . . . . . . 19 ALA C . 53598 2
98 . 1 . 1 19 19 ALA CA C 13 50.30291556 0.07201976271 . . . . . . . 19 ALA CA . 53598 2
99 . 1 . 1 19 19 ALA CB C 13 21.1580345 0.1109387227 . . . . . . . 19 ALA CB . 53598 2
100 . 1 . 1 19 19 ALA N N 15 127.858574 0.07886124471 . . . . . . . 19 ALA N . 53598 2
101 . 1 . 1 20 20 GLU H H 1 11.7060265 0.01726291951 . . . . . . . 20 GLU H . 53598 2
102 . 1 . 1 20 20 GLU HA H 1 3.881992854 0.02068046012 . . . . . . . 20 GLU HA . 53598 2
103 . 1 . 1 20 20 GLU C C 13 176.9598268 0.01310076179 . . . . . . . 20 GLU C . 53598 2
104 . 1 . 1 20 20 GLU CA C 13 60.36406154 0.03335602306 . . . . . . . 20 GLU CA . 53598 2
105 . 1 . 1 20 20 GLU CB C 13 31.29417564 0.06241716789 . . . . . . . 20 GLU CB . 53598 2
106 . 1 . 1 20 20 GLU N N 15 125.6572324 0.1242519088 . . . . . . . 20 GLU N . 53598 2
107 . 1 . 1 21 21 LYS H H 1 9.221193122 0.02729004982 . . . . . . . 21 LYS H . 53598 2
108 . 1 . 1 21 21 LYS HA H 1 3.219734235 0.01781350265 . . . . . . . 21 LYS HA . 53598 2
109 . 1 . 1 21 21 LYS C C 13 174.9238296 0.0174508877 . . . . . . . 21 LYS C . 53598 2
110 . 1 . 1 21 21 LYS CA C 13 57.69255474 0.06430179015 . . . . . . . 21 LYS CA . 53598 2
111 . 1 . 1 21 21 LYS CB C 13 27.82987037 0.03540817162 . . . . . . . 21 LYS CB . 53598 2
112 . 1 . 1 21 21 LYS N N 15 111.0090702 0.0959733054 . . . . . . . 21 LYS N . 53598 2
113 . 1 . 1 22 22 THR H H 1 7.690883644 0.02468105572 . . . . . . . 22 THR H . 53598 2
114 . 1 . 1 22 22 THR HA H 1 4.29469046 0.02472152269 . . . . . . . 22 THR HA . 53598 2
115 . 1 . 1 22 22 THR C C 13 173.3073823 0.02477515183 . . . . . . . 22 THR C . 53598 2
116 . 1 . 1 22 22 THR CA C 13 66.25316515 0.09171385755 . . . . . . . 22 THR CA . 53598 2
117 . 1 . 1 22 22 THR CB C 13 69.35834687 0.09452091428 . . . . . . . 22 THR CB . 53598 2
118 . 1 . 1 22 22 THR N N 15 122.0285321 0.1234604573 . . . . . . . 22 THR N . 53598 2
119 . 1 . 1 23 23 LYS H H 1 8.736790038 0.02680750677 . . . . . . . 23 LYS H . 53598 2
120 . 1 . 1 23 23 LYS HA H 1 5.267693495 0.01894381164 . . . . . . . 23 LYS HA . 53598 2
121 . 1 . 1 23 23 LYS C C 13 174.5794683 0.02981931675 . . . . . . . 23 LYS C . 53598 2
122 . 1 . 1 23 23 LYS CA C 13 55.06604126 0.08040772721 . . . . . . . 23 LYS CA . 53598 2
123 . 1 . 1 23 23 LYS CB C 13 38.11513894 0.07831096608 . . . . . . . 23 LYS CB . 53598 2
124 . 1 . 1 23 23 LYS N N 15 126.5283261 0.07415771374 . . . . . . . 23 LYS N . 53598 2
125 . 1 . 1 24 24 GLN H H 1 9.084944617 0.01583032387 . . . . . . . 24 GLN H . 53598 2
126 . 1 . 1 24 24 GLN HA H 1 5.91739502 0.01246714587 . . . . . . . 24 GLN HA . 53598 2
127 . 1 . 1 24 24 GLN C C 13 176.025548 0.03895938836 . . . . . . . 24 GLN C . 53598 2
128 . 1 . 1 24 24 GLN CA C 13 53.38291499 0.05065976373 . . . . . . . 24 GLN CA . 53598 2
129 . 1 . 1 24 24 GLN CB C 13 33.26085834 0.01151084983 . . . . . . . 24 GLN CB . 53598 2
130 . 1 . 1 24 24 GLN N N 15 124.1192144 0.1167908971 . . . . . . . 24 GLN N . 53598 2
131 . 1 . 1 25 25 GLY H H 1 8.709863545 0.01909283271 . . . . . . . 25 GLY H . 53598 2
132 . 1 . 1 25 25 GLY HA2 H 1 4.341887801 0.03429552519 . . . . . . . 25 GLY HA2 . 53598 2
133 . 1 . 1 25 25 GLY HA3 H 1 3.756628656 0.03511715312 . . . . . . . 25 GLY HA3 . 53598 2
134 . 1 . 1 25 25 GLY C C 13 174.4491385 0.04941249186 . . . . . . . 25 GLY C . 53598 2
135 . 1 . 1 25 25 GLY CA C 13 49.7798111 0.08264521366 . . . . . . . 25 GLY CA . 53598 2
136 . 1 . 1 25 25 GLY N N 15 116.7742003 0.07173081008 . . . . . . . 25 GLY N . 53598 2
137 . 1 . 1 26 26 VAL H H 1 7.208308419 0.02327954918 . . . . . . . 26 VAL H . 53598 2
138 . 1 . 1 26 26 VAL HA H 1 5.034067485 0.01273361534 . . . . . . . 26 VAL HA . 53598 2
139 . 1 . 1 26 26 VAL C C 13 172.5959355 0.0459458119 . . . . . . . 26 VAL C . 53598 2
140 . 1 . 1 26 26 VAL CA C 13 59.743209 0.05972936779 . . . . . . . 26 VAL CA . 53598 2
141 . 1 . 1 26 26 VAL CB C 13 37.58751561 0.04851520431 . . . . . . . 26 VAL CB . 53598 2
142 . 1 . 1 26 26 VAL N N 15 117.5713424 0.06992515295 . . . . . . . 26 VAL N . 53598 2
143 . 1 . 1 27 27 ALA H H 1 9.388191815 0.02187984402 . . . . . . . 27 ALA H . 53598 2
144 . 1 . 1 27 27 ALA HA H 1 5.636537695 0.0110342659 . . . . . . . 27 ALA HA . 53598 2
145 . 1 . 1 27 27 ALA C C 13 175.3076245 0.01849718953 . . . . . . . 27 ALA C . 53598 2
146 . 1 . 1 27 27 ALA CA C 13 49.54385151 0.06454088437 . . . . . . . 27 ALA CA . 53598 2
147 . 1 . 1 27 27 ALA CB C 13 22.74591133 0.06668220762 . . . . . . . 27 ALA CB . 53598 2
148 . 1 . 1 27 27 ALA N N 15 130.888179 0.07634428304 . . . . . . . 27 ALA N . 53598 2
149 . 1 . 1 28 28 GLU H H 1 8.912600979 0.02152873829 . . . . . . . 28 GLU H . 53598 2
150 . 1 . 1 28 28 GLU HA H 1 5.32846152 0.0171532849 . . . . . . . 28 GLU HA . 53598 2
151 . 1 . 1 28 28 GLU C C 13 174.2132338 0.03399116924 . . . . . . . 28 GLU C . 53598 2
152 . 1 . 1 28 28 GLU CA C 13 54.50970236 0.07214898186 . . . . . . . 28 GLU CA . 53598 2
153 . 1 . 1 28 28 GLU CB C 13 33.25262331 0.193058193 . . . . . . . 28 GLU CB . 53598 2
154 . 1 . 1 28 28 GLU N N 15 122.1122927 0.08901156013 . . . . . . . 28 GLU N . 53598 2
155 . 1 . 1 29 29 ALA H H 1 9.07080624 0.004632867547 . . . . . . . 29 ALA H . 53598 2
156 . 1 . 1 29 29 ALA HA H 1 5.487774375 0.01432654992 . . . . . . . 29 ALA HA . 53598 2
157 . 1 . 1 29 29 ALA C C 13 176.2904327 0.009701182784 . . . . . . . 29 ALA C . 53598 2
158 . 1 . 1 29 29 ALA CA C 13 50.24500898 0.1126706637 . . . . . . . 29 ALA CA . 53598 2
159 . 1 . 1 29 29 ALA CB C 13 24.93919865 0.06769920138 . . . . . . . 29 ALA CB . 53598 2
160 . 1 . 1 29 29 ALA N N 15 125.813871 0.06422127126 . . . . . . . 29 ALA N . 53598 2
161 . 1 . 1 30 30 ALA H H 1 8.473956469 0.02094646093 . . . . . . . 30 ALA H . 53598 2
162 . 1 . 1 30 30 ALA HA H 1 5.623324836 0.0176905375 . . . . . . . 30 ALA HA . 53598 2
163 . 1 . 1 30 30 ALA C C 13 175.6759311 0.01332165516 . . . . . . . 30 ALA C . 53598 2
164 . 1 . 1 30 30 ALA CA C 13 50.9041065 0.1065576237 . . . . . . . 30 ALA CA . 53598 2
165 . 1 . 1 30 30 ALA CB C 13 23.0251786 0.09004718024 . . . . . . . 30 ALA CB . 53598 2
166 . 1 . 1 30 30 ALA N N 15 126.9337971 0.09068590591 . . . . . . . 30 ALA N . 53598 2
167 . 1 . 1 31 31 GLY H H 1 9.07711946 0.02103658823 . . . . . . . 31 GLY H . 53598 2
168 . 1 . 1 31 31 GLY HA2 H 1 3.542823238 0.0007757624456 . . . . . . . 31 GLY HA2 . 53598 2
169 . 1 . 1 31 31 GLY HA3 H 1 3.542823238 0.0007757624456 . . . . . . . 31 GLY HA3 . 53598 2
170 . 1 . 1 31 31 GLY C C 13 174.0857401 0.03624084385 . . . . . . . 31 GLY C . 53598 2
171 . 1 . 1 31 31 GLY CA C 13 44.41920737 0.05489696805 . . . . . . . 31 GLY CA . 53598 2
172 . 1 . 1 31 31 GLY N N 15 108.8788557 0.0971453813 . . . . . . . 31 GLY N . 53598 2
173 . 1 . 1 32 32 LYS H H 1 8.739699232 0.03437793142 . . . . . . . 32 LYS H . 53598 2
174 . 1 . 1 32 32 LYS HA H 1 4.00560605 0.03259790709 . . . . . . . 32 LYS HA . 53598 2
175 . 1 . 1 32 32 LYS C C 13 176.3700661 0.003480001879 . . . . . . . 32 LYS C . 53598 2
176 . 1 . 1 32 32 LYS CA C 13 58.14194181 0.1047809114 . . . . . . . 32 LYS CA . 53598 2
177 . 1 . 1 32 32 LYS CB C 13 30.98048686 0.1192664835 . . . . . . . 32 LYS CB . 53598 2
178 . 1 . 1 32 32 LYS N N 15 115.0948089 0.06769917018 . . . . . . . 32 LYS N . 53598 2
179 . 1 . 1 33 33 THR H H 1 6.936546813 0.0309508436 . . . . . . . 33 THR H . 53598 2
180 . 1 . 1 33 33 THR HA H 1 4.506629776 0.04604617146 . . . . . . . 33 THR HA . 53598 2
181 . 1 . 1 33 33 THR C C 13 174.8626231 0.04803441073 . . . . . . . 33 THR C . 53598 2
182 . 1 . 1 33 33 THR CA C 13 62.4883287 0.09603503416 . . . . . . . 33 THR CA . 53598 2
183 . 1 . 1 33 33 THR CB C 13 69.31186475 0.0965023985 . . . . . . . 33 THR CB . 53598 2
184 . 1 . 1 33 33 THR N N 15 110.5744925 0.1010795379 . . . . . . . 33 THR N . 53598 2
185 . 1 . 1 34 34 LYS H H 1 9.311334651 0.04227190308 . . . . . . . 34 LYS H . 53598 2
186 . 1 . 1 34 34 LYS HA H 1 5.334012412 0.002837300726 . . . . . . . 34 LYS HA . 53598 2
187 . 1 . 1 34 34 LYS C C 13 176.3083408 0.05976339336 . . . . . . . 34 LYS C . 53598 2
188 . 1 . 1 34 34 LYS CA C 13 58.46632001 0.02573906898 . . . . . . . 34 LYS CA . 53598 2
189 . 1 . 1 34 34 LYS CB C 13 34.38904416 0.07970335684 . . . . . . . 34 LYS CB . 53598 2
190 . 1 . 1 34 34 LYS N N 15 120.7984439 0.112568087 . . . . . . . 34 LYS N . 53598 2
191 . 1 . 1 35 35 GLU H H 1 8.644740461 0.01566070616 . . . . . . . 35 GLU H . 53598 2
192 . 1 . 1 35 35 GLU HA H 1 4.874455805 0.001708140255 . . . . . . . 35 GLU HA . 53598 2
193 . 1 . 1 35 35 GLU C C 13 176.9269118 0.0309226344 . . . . . . . 35 GLU C . 53598 2
194 . 1 . 1 35 35 GLU CA C 13 55.68555079 0.0516612142 . . . . . . . 35 GLU CA . 53598 2
195 . 1 . 1 35 35 GLU CB C 13 34.10959391 0.02623016861 . . . . . . . 35 GLU CB . 53598 2
196 . 1 . 1 35 35 GLU N N 15 125.6469229 0.2127734154 . . . . . . . 35 GLU N . 53598 2
197 . 1 . 1 36 36 GLY H H 1 8.8501784 0.07288792893 . . . . . . . 36 GLY H . 53598 2
198 . 1 . 1 36 36 GLY HA2 H 1 4.183749023 0.03496070527 . . . . . . . 36 GLY HA2 . 53598 2
199 . 1 . 1 36 36 GLY HA3 H 1 3.867460389 0.0202162525 . . . . . . . 36 GLY HA3 . 53598 2
200 . 1 . 1 36 36 GLY C C 13 169.9980549 0.01969150701 . . . . . . . 36 GLY C . 53598 2
201 . 1 . 1 36 36 GLY CA C 13 49.09710973 0.07779465578 . . . . . . . 36 GLY CA . 53598 2
202 . 1 . 1 36 36 GLY N N 15 117.777573 0.1301147093 . . . . . . . 36 GLY N . 53598 2
203 . 1 . 1 37 37 VAL H H 1 9.004331645 0.04382279952 . . . . . . . 37 VAL H . 53598 2
204 . 1 . 1 37 37 VAL HA H 1 5.242655146 0.001953574822 . . . . . . . 37 VAL HA . 53598 2
205 . 1 . 1 37 37 VAL C C 13 172.366866 0.01708756106 . . . . . . . 37 VAL C . 53598 2
206 . 1 . 1 37 37 VAL CA C 13 61.14815076 0.06849834591 . . . . . . . 37 VAL CA . 53598 2
207 . 1 . 1 37 37 VAL CB C 13 36.02334875 0.1067660276 . . . . . . . 37 VAL CB . 53598 2
208 . 1 . 1 37 37 VAL N N 15 126.4781873 0.1447249328 . . . . . . . 37 VAL N . 53598 2
209 . 1 . 1 38 38 LEU H H 1 8.82426234 0.02532588021 . . . . . . . 38 LEU H . 53598 2
210 . 1 . 1 38 38 LEU HA H 1 5.662834823 0.008314844214 . . . . . . . 38 LEU HA . 53598 2
211 . 1 . 1 38 38 LEU C C 13 173.0868578 0.01415845883 . . . . . . . 38 LEU C . 53598 2
212 . 1 . 1 38 38 LEU CA C 13 53.47350898 0.06893262536 . . . . . . . 38 LEU CA . 53598 2
213 . 1 . 1 38 38 LEU CB C 13 46.13293775 0.1047961606 . . . . . . . 38 LEU CB . 53598 2
214 . 1 . 1 38 38 LEU N N 15 131.4649942 0.1148907444 . . . . . . . 38 LEU N . 53598 2
215 . 1 . 1 39 39 TYR H H 1 9.42024247 0.02002938115 . . . . . . . 39 TYR H . 53598 2
216 . 1 . 1 39 39 TYR HA H 1 5.248711222 0.005714341549 . . . . . . . 39 TYR HA . 53598 2
217 . 1 . 1 39 39 TYR C C 13 173.3475306 0.04502210731 . . . . . . . 39 TYR C . 53598 2
218 . 1 . 1 39 39 TYR CA C 13 56.88535484 0.09540800074 . . . . . . . 39 TYR CA . 53598 2
219 . 1 . 1 39 39 TYR CB C 13 42.55066731 0.1026939691 . . . . . . . 39 TYR CB . 53598 2
220 . 1 . 1 39 39 TYR N N 15 128.5844414 0.09280132417 . . . . . . . 39 TYR N . 53598 2
221 . 1 . 1 40 40 VAL H H 1 8.934099188 0.02495494072 . . . . . . . 40 VAL H . 53598 2
222 . 1 . 1 40 40 VAL HA H 1 4.719566995 0.002585626304 . . . . . . . 40 VAL HA . 53598 2
223 . 1 . 1 40 40 VAL C C 13 173.6423949 0.03205967793 . . . . . . . 40 VAL C . 53598 2
224 . 1 . 1 40 40 VAL CA C 13 61.28335916 0.1125300502 . . . . . . . 40 VAL CA . 53598 2
225 . 1 . 1 40 40 VAL CB C 13 34.88291764 0.2019228095 . . . . . . . 40 VAL CB . 53598 2
226 . 1 . 1 40 40 VAL N N 15 129.3311356 0.1003588753 . . . . . . . 40 VAL N . 53598 2
227 . 1 . 1 41 41 GLY H H 1 8.83039521 0.01878826669 . . . . . . . 41 GLY H . 53598 2
228 . 1 . 1 41 41 GLY HA2 H 1 4.993946893 0.01206421275 . . . . . . . 41 GLY HA2 . 53598 2
229 . 1 . 1 41 41 GLY HA3 H 1 3.037934421 0.007018523432 . . . . . . . 41 GLY HA3 . 53598 2
230 . 1 . 1 41 41 GLY C C 13 172.2699774 0.03016669755 . . . . . . . 41 GLY C . 53598 2
231 . 1 . 1 41 41 GLY CA C 13 44.46267386 0.06787431887 . . . . . . . 41 GLY CA . 53598 2
232 . 1 . 1 41 41 GLY N N 15 113.5239215 0.146633952 . . . . . . . 41 GLY N . 53598 2
233 . 1 . 1 42 42 SER H H 1 8.551702233 0.03940854403 . . . . . . . 42 SER H . 53598 2
234 . 1 . 1 42 42 SER HA H 1 5.486416747 0.03505468161 . . . . . . . 42 SER HA . 53598 2
235 . 1 . 1 42 42 SER CA C 13 54.88469643 0.05331941422 . . . . . . . 42 SER CA . 53598 2
236 . 1 . 1 42 42 SER CB C 13 64.6780057 0.08796885392 . . . . . . . 42 SER CB . 53598 2
237 . 1 . 1 42 42 SER N N 15 118.0269141 0.08132733542 . . . . . . . 42 SER N . 53598 2
238 . 1 . 1 43 43 LYS H H 1 9.415620877 0.03972561644 . . . . . . . 43 LYS H . 53598 2
239 . 1 . 1 43 43 LYS HA H 1 4.137020961 0.01486819138 . . . . . . . 43 LYS HA . 53598 2
240 . 1 . 1 43 43 LYS C C 13 175.671267 0.001476259502 . . . . . . . 43 LYS C . 53598 2
241 . 1 . 1 43 43 LYS CA C 13 58.27486357 0.09968906093 . . . . . . . 43 LYS CA . 53598 2
242 . 1 . 1 43 43 LYS N N 15 122.94459 0.1405505833 . . . . . . . 43 LYS N . 53598 2
243 . 1 . 1 44 44 THR H H 1 6.804586736 0.01380086155 . . . . . . . 44 THR H . 53598 2
244 . 1 . 1 44 44 THR HA H 1 4.471665977 0.05461165591 . . . . . . . 44 THR HA . 53598 2
245 . 1 . 1 44 44 THR CA C 13 61.57953836 0.0816768349 . . . . . . . 44 THR CA . 53598 2
246 . 1 . 1 44 44 THR CB C 13 70.18112707 0.08209757543 . . . . . . . 44 THR CB . 53598 2
247 . 1 . 1 44 44 THR N N 15 107.6376535 0.07335463942 . . . . . . . 44 THR N . 53598 2
248 . 1 . 1 63 63 VAL C C 13 175.0905007 0 . . . . . . . 63 VAL C . 53598 2
249 . 1 . 1 63 63 VAL CA C 13 61.43040098 0 . . . . . . . 63 VAL CA . 53598 2
250 . 1 . 1 63 63 VAL CB C 13 36.69704997 0 . . . . . . . 63 VAL CB . 53598 2
251 . 1 . 1 64 64 THR H H 1 9.359568775 0.04234893698 . . . . . . . 64 THR H . 53598 2
252 . 1 . 1 64 64 THR HA H 1 4.947448689 0.0004414421518 . . . . . . . 64 THR HA . 53598 2
253 . 1 . 1 64 64 THR C C 13 172.7583823 0 . . . . . . . 64 THR C . 53598 2
254 . 1 . 1 64 64 THR CA C 13 62.79740318 0.1616772011 . . . . . . . 64 THR CA . 53598 2
255 . 1 . 1 64 64 THR CB C 13 70.4054146 0.06383077547 . . . . . . . 64 THR CB . 53598 2
256 . 1 . 1 64 64 THR N N 15 127.4260216 0.1004904098 . . . . . . . 64 THR N . 53598 2
257 . 1 . 1 65 65 ASN H H 1 9.312566544 0.04406584309 . . . . . . . 65 ASN H . 53598 2
258 . 1 . 1 65 65 ASN HA H 1 5.684378211 0.06425071295 . . . . . . . 65 ASN HA . 53598 2
259 . 1 . 1 65 65 ASN C C 13 175.2595551 0.06367292599 . . . . . . . 65 ASN C . 53598 2
260 . 1 . 1 65 65 ASN CA C 13 52.48166913 0.1219625385 . . . . . . . 65 ASN CA . 53598 2
261 . 1 . 1 65 65 ASN CB C 13 43.04095871 0.0671326438 . . . . . . . 65 ASN CB . 53598 2
262 . 1 . 1 65 65 ASN N N 15 126.4590484 0.1527995939 . . . . . . . 65 ASN N . 53598 2
263 . 1 . 1 66 66 VAL H H 1 9.150905755 0.01893756332 . . . . . . . 66 VAL H . 53598 2
264 . 1 . 1 66 66 VAL HA H 1 4.731528472 0.0003596183301 . . . . . . . 66 VAL HA . 53598 2
265 . 1 . 1 66 66 VAL CA C 13 61.21506898 0.08784597217 . . . . . . . 66 VAL CA . 53598 2
266 . 1 . 1 66 66 VAL CB C 13 35.12240934 0.005838856068 . . . . . . . 66 VAL CB . 53598 2
267 . 1 . 1 66 66 VAL N N 15 128.0784606 0.1123676641 . . . . . . . 66 VAL N . 53598 2
268 . 1 . 1 71 71 VAL C C 13 176.9496295 0 . . . . . . . 71 VAL C . 53598 2
269 . 1 . 1 71 71 VAL CA C 13 61.79194848 0 . . . . . . . 71 VAL CA . 53598 2
270 . 1 . 1 71 71 VAL CB C 13 35.58685931 0 . . . . . . . 71 VAL CB . 53598 2
271 . 1 . 1 72 72 THR H H 1 8.670214203 0.02384309056 . . . . . . . 72 THR H . 53598 2
272 . 1 . 1 72 72 THR HA H 1 5.145524005 0.02671223345 . . . . . . . 72 THR HA . 53598 2
273 . 1 . 1 72 72 THR CA C 13 61.12815032 0.1117644605 . . . . . . . 72 THR CA . 53598 2
274 . 1 . 1 72 72 THR CB C 13 68.8526681 0.1600419873 . . . . . . . 72 THR CB . 53598 2
275 . 1 . 1 72 72 THR N N 15 121.2633808 0.07598787486 . . . . . . . 72 THR N . 53598 2
276 . 1 . 1 73 73 GLY H H 1 7.288836179 0.0541391984 . . . . . . . 73 GLY H . 53598 2
277 . 1 . 1 73 73 GLY HA2 H 1 4.246324282 0.02897513436 . . . . . . . 73 GLY HA# . 53598 2
278 . 1 . 1 73 73 GLY HA3 H 1 4.246324282 0.02897513436 . . . . . . . 73 GLY HA# . 53598 2
279 . 1 . 1 73 73 GLY C C 13 172.2875771 0.02675427015 . . . . . . . 73 GLY C . 53598 2
280 . 1 . 1 73 73 GLY CA C 13 44.33349631 0.08767121902 . . . . . . . 73 GLY CA . 53598 2
281 . 1 . 1 73 73 GLY N N 15 110.8972119 0.2048376986 . . . . . . . 73 GLY N . 53598 2
282 . 1 . 1 74 74 VAL H H 1 8.714080064 0.01563726883 . . . . . . . 74 VAL H . 53598 2
283 . 1 . 1 74 74 VAL HA H 1 5.266343232 0.005090025825 . . . . . . . 74 VAL HA . 53598 2
284 . 1 . 1 74 74 VAL C C 13 175.2116193 0.07615913301 . . . . . . . 74 VAL C . 53598 2
285 . 1 . 1 74 74 VAL CA C 13 61.16952838 0.1009547172 . . . . . . . 74 VAL CA . 53598 2
286 . 1 . 1 74 74 VAL CB C 13 35.97633341 0.140220641 . . . . . . . 74 VAL CB . 53598 2
287 . 1 . 1 74 74 VAL N N 15 126.569184 0.1093138669 . . . . . . . 74 VAL N . 53598 2
288 . 1 . 1 75 75 THR H H 1 8.881542628 0.03418205015 . . . . . . . 75 THR H . 53598 2
289 . 1 . 1 75 75 THR HA H 1 5.61645211 0.01705891364 . . . . . . . 75 THR HA . 53598 2
290 . 1 . 1 75 75 THR C C 13 173.0151084 0.004992320268 . . . . . . . 75 THR C . 53598 2
291 . 1 . 1 75 75 THR CA C 13 58.79492807 0.06804182123 . . . . . . . 75 THR CA . 53598 2
292 . 1 . 1 75 75 THR CB C 13 72.1279915 0.1212416559 . . . . . . . 75 THR CB . 53598 2
293 . 1 . 1 75 75 THR N N 15 115.3864404 0.07700971241 . . . . . . . 75 THR N . 53598 2
294 . 1 . 1 76 76 ALA H H 1 8.411854508 0.01246646405 . . . . . . . 76 ALA H . 53598 2
295 . 1 . 1 76 76 ALA HA H 1 5.532959341 0.005372455903 . . . . . . . 76 ALA HA . 53598 2
296 . 1 . 1 76 76 ALA C C 13 177.8048627 0.01001679941 . . . . . . . 76 ALA C . 53598 2
297 . 1 . 1 76 76 ALA CA C 13 50.94455047 0.09377861498 . . . . . . . 76 ALA CA . 53598 2
298 . 1 . 1 76 76 ALA CB C 13 24.15917865 0.08106420852 . . . . . . . 76 ALA CB . 53598 2
299 . 1 . 1 76 76 ALA N N 15 122.5355509 0.1212421483 . . . . . . . 76 ALA N . 53598 2
300 . 1 . 1 77 77 VAL H H 1 8.273177789 0.01852099592 . . . . . . . 77 VAL H . 53598 2
301 . 1 . 1 77 77 VAL HA H 1 4.928831554 0.005232169025 . . . . . . . 77 VAL HA . 53598 2
302 . 1 . 1 77 77 VAL C C 13 173.1844709 0.02330391152 . . . . . . . 77 VAL C . 53598 2
303 . 1 . 1 77 77 VAL CA C 13 61.41072453 0.06913243254 . . . . . . . 77 VAL CA . 53598 2
304 . 1 . 1 77 77 VAL CB C 13 36.89564517 0.03617195043 . . . . . . . 77 VAL CB . 53598 2
305 . 1 . 1 77 77 VAL N N 15 124.7256897 0.07072095292 . . . . . . . 77 VAL N . 53598 2
306 . 1 . 1 78 78 ALA H H 1 9.166208733 0.01377313006 . . . . . . . 78 ALA H . 53598 2
307 . 1 . 1 78 78 ALA HA H 1 5.866127762 0.01710636669 . . . . . . . 78 ALA HA . 53598 2
308 . 1 . 1 78 78 ALA C C 13 177.257529 0.008983453316 . . . . . . . 78 ALA C . 53598 2
309 . 1 . 1 78 78 ALA CA C 13 50.52184974 0.05209908178 . . . . . . . 78 ALA CA . 53598 2
310 . 1 . 1 78 78 ALA CB C 13 20.66967716 0.04430921348 . . . . . . . 78 ALA CB . 53598 2
311 . 1 . 1 78 78 ALA N N 15 130.3903634 0.08002283298 . . . . . . . 78 ALA N . 53598 2
312 . 1 . 1 79 79 GLN H H 1 8.474856148 0.02880547567 . . . . . . . 79 GLN H . 53598 2
313 . 1 . 1 79 79 GLN HA H 1 6.063722525 0.005204322401 . . . . . . . 79 GLN HA . 53598 2
314 . 1 . 1 79 79 GLN C C 13 174.6172027 0.03786784105 . . . . . . . 79 GLN C . 53598 2
315 . 1 . 1 79 79 GLN CA C 13 52.76429162 0.08087515617 . . . . . . . 79 GLN CA . 53598 2
316 . 1 . 1 79 79 GLN CB C 13 33.2843283 0.1271403034 . . . . . . . 79 GLN CB . 53598 2
317 . 1 . 1 79 79 GLN N N 15 118.1974408 0.06739097111 . . . . . . . 79 GLN N . 53598 2
318 . 1 . 1 80 80 LYS H H 1 8.406293783 0.05202096956 . . . . . . . 80 LYS H . 53598 2
319 . 1 . 1 80 80 LYS HA H 1 4.484991667 0.02798290367 . . . . . . . 80 LYS HA . 53598 2
320 . 1 . 1 80 80 LYS C C 13 176.4344502 0.03036657274 . . . . . . . 80 LYS C . 53598 2
321 . 1 . 1 80 80 LYS CA C 13 57.1196902 0.07985694502 . . . . . . . 80 LYS CA . 53598 2
322 . 1 . 1 80 80 LYS CB C 13 30.69717138 0.152204127 . . . . . . . 80 LYS CB . 53598 2
323 . 1 . 1 80 80 LYS N N 15 121.77863 0.1112533945 . . . . . . . 80 LYS N . 53598 2
324 . 1 . 1 81 81 THR H H 1 7.521868033 0.03756250115 . . . . . . . 81 THR H . 53598 2
325 . 1 . 1 81 81 THR HA H 1 3.833829908 0.02511326632 . . . . . . . 81 THR HA . 53598 2
326 . 1 . 1 81 81 THR C C 13 174.7525325 0.008625290971 . . . . . . . 81 THR C . 53598 2
327 . 1 . 1 81 81 THR CA C 13 69.02316772 0.03807139474 . . . . . . . 81 THR CA . 53598 2
328 . 1 . 1 81 81 THR CB C 13 68.16356403 0.05040054942 . . . . . . . 81 THR CB . 53598 2
329 . 1 . 1 81 81 THR N N 15 118.4363057 0.1290789359 . . . . . . . 81 THR N . 53598 2
330 . 1 . 1 82 82 VAL H H 1 8.559416857 0.02724523938 . . . . . . . 82 VAL H . 53598 2
331 . 1 . 1 82 82 VAL HA H 1 4.368858643 0.01620435653 . . . . . . . 82 VAL HA . 53598 2
332 . 1 . 1 82 82 VAL C C 13 173.6403869 0.06083946489 . . . . . . . 82 VAL C . 53598 2
333 . 1 . 1 82 82 VAL CA C 13 62.82780481 0.04480798789 . . . . . . . 82 VAL CA . 53598 2
334 . 1 . 1 82 82 VAL CB C 13 33.66488282 0.07167135996 . . . . . . . 82 VAL CB . 53598 2
335 . 1 . 1 82 82 VAL N N 15 119.9240516 0.09694901388 . . . . . . . 82 VAL N . 53598 2
336 . 1 . 1 83 83 GLU H H 1 9.462988985 0.01764646681 . . . . . . . 83 GLU H . 53598 2
337 . 1 . 1 83 83 GLU HA H 1 5.022505978 0.006976723378 . . . . . . . 83 GLU HA . 53598 2
338 . 1 . 1 83 83 GLU C C 13 175.2290432 0.0277733099 . . . . . . . 83 GLU C . 53598 2
339 . 1 . 1 83 83 GLU CA C 13 54.14212003 0.04524882854 . . . . . . . 83 GLU CA . 53598 2
340 . 1 . 1 83 83 GLU CB C 13 30.47392391 0.09436478006 . . . . . . . 83 GLU CB . 53598 2
341 . 1 . 1 83 83 GLU N N 15 130.6064361 0.1052954683 . . . . . . . 83 GLU N . 53598 2
342 . 1 . 1 84 84 GLY H H 1 8.382859007 0.02032025521 . . . . . . . 84 GLY H . 53598 2
343 . 1 . 1 84 84 GLY HA2 H 1 4.57792565 0.007308209431 . . . . . . . 84 GLY HA2 . 53598 2
344 . 1 . 1 84 84 GLY HA3 H 1 3.549039619 0.0004849351462 . . . . . . . 84 GLY HA3 . 53598 2
345 . 1 . 1 84 84 GLY C C 13 172.3930967 0.02780935584 . . . . . . . 84 GLY C . 53598 2
346 . 1 . 1 84 84 GLY CA C 13 44.3122911 0.05162263701 . . . . . . . 84 GLY CA . 53598 2
347 . 1 . 1 84 84 GLY N N 15 114.6375274 0.1320603562 . . . . . . . 84 GLY N . 53598 2
348 . 1 . 1 85 85 ALA H H 1 8.006425 0.01529632448 . . . . . . . 85 ALA H . 53598 2
349 . 1 . 1 85 85 ALA HA H 1 4.020952358 0.0270280789 . . . . . . . 85 ALA HA . 53598 2
350 . 1 . 1 85 85 ALA C C 13 177.8603102 0 . . . . . . . 85 ALA C . 53598 2
351 . 1 . 1 85 85 ALA CA C 13 51.61848679 0.09154653438 . . . . . . . 85 ALA CA . 53598 2
352 . 1 . 1 85 85 ALA CB C 13 19.03968697 0.04278968967 . . . . . . . 85 ALA CB . 53598 2
353 . 1 . 1 85 85 ALA N N 15 121.644773 0.07306633021 . . . . . . . 85 ALA N . 53598 2
354 . 1 . 1 86 86 GLY C C 13 171.1618876 0.0001668902806 . . . . . . . 86 GLY C . 53598 2
355 . 1 . 1 86 86 GLY CA C 13 45.75746693 0 . . . . . . . 86 GLY CA . 53598 2
356 . 1 . 1 86 86 GLY N N 15 109.0711887 0 . . . . . . . 86 GLY N . 53598 2
357 . 1 . 1 87 87 SER H H 1 8.227057177 0.0189368684 . . . . . . . 87 SER H . 53598 2
358 . 1 . 1 87 87 SER HA H 1 5.628801325 0.01728142984 . . . . . . . 87 SER HA . 53598 2
359 . 1 . 1 87 87 SER C C 13 173.2469451 0.02665881472 . . . . . . . 87 SER C . 53598 2
360 . 1 . 1 87 87 SER CA C 13 56.66033303 0.09195217789 . . . . . . . 87 SER CA . 53598 2
361 . 1 . 1 87 87 SER CB C 13 67.4973915 0.1383905949 . . . . . . . 87 SER CB . 53598 2
362 . 1 . 1 87 87 SER N N 15 109.1147419 0.08220158856 . . . . . . . 87 SER N . 53598 2
363 . 1 . 1 88 88 ILE H H 1 8.453984758 0.01481432843 . . . . . . . 88 ILE H . 53598 2
364 . 1 . 1 88 88 ILE HA H 1 4.865024034 0.01367704991 . . . . . . . 88 ILE HA . 53598 2
365 . 1 . 1 88 88 ILE C C 13 175.6945375 0.003693771087 . . . . . . . 88 ILE C . 53598 2
366 . 1 . 1 88 88 ILE CA C 13 60.99011503 0.06964284882 . . . . . . . 88 ILE CA . 53598 2
367 . 1 . 1 88 88 ILE CB C 13 42.11630316 0.08229002448 . . . . . . . 88 ILE CB . 53598 2
368 . 1 . 1 88 88 ILE N N 15 120.3085043 0.09285627035 . . . . . . . 88 ILE N . 53598 2
369 . 1 . 1 89 89 ALA H H 1 8.616276951 0.02041859432 . . . . . . . 89 ALA H . 53598 2
370 . 1 . 1 89 89 ALA HA H 1 5.753369897 0.01446175617 . . . . . . . 89 ALA HA . 53598 2
371 . 1 . 1 89 89 ALA C C 13 177.6306003 0.02566113592 . . . . . . . 89 ALA C . 53598 2
372 . 1 . 1 89 89 ALA CA C 13 50.67853831 0.05864420027 . . . . . . . 89 ALA CA . 53598 2
373 . 1 . 1 89 89 ALA CB C 13 23.07006879 0.04982642865 . . . . . . . 89 ALA CB . 53598 2
374 . 1 . 1 89 89 ALA N N 15 130.7584986 0.07808471212 . . . . . . . 89 ALA N . 53598 2
375 . 1 . 1 90 90 ALA H H 1 7.852094482 0.02729558566 . . . . . . . 90 ALA H . 53598 2
376 . 1 . 1 90 90 ALA HA H 1 4.829593004 0.01520812184 . . . . . . . 90 ALA HA . 53598 2
377 . 1 . 1 90 90 ALA C C 13 175.2402912 0.03902321075 . . . . . . . 90 ALA C . 53598 2
378 . 1 . 1 90 90 ALA CA C 13 54.51865986 0.06909325313 . . . . . . . 90 ALA CA . 53598 2
379 . 1 . 1 90 90 ALA CB C 13 18.59490055 0.05307228532 . . . . . . . 90 ALA CB . 53598 2
380 . 1 . 1 90 90 ALA N N 15 125.6465173 0.115149666 . . . . . . . 90 ALA N . 53598 2
381 . 1 . 1 91 91 ALA H H 1 9.11512918 0.02024395347 . . . . . . . 91 ALA H . 53598 2
382 . 1 . 1 91 91 ALA HA H 1 5.473146833 0.005531320575 . . . . . . . 91 ALA HA . 53598 2
383 . 1 . 1 91 91 ALA C C 13 176.0900126 0.0150247398 . . . . . . . 91 ALA C . 53598 2
384 . 1 . 1 91 91 ALA CA C 13 50.95728657 0.08929624927 . . . . . . . 91 ALA CA . 53598 2
385 . 1 . 1 91 91 ALA CB C 13 22.59176175 0.01926020011 . . . . . . . 91 ALA CB . 53598 2
386 . 1 . 1 91 91 ALA N N 15 123.1676231 0.07135302202 . . . . . . . 91 ALA N . 53598 2
387 . 1 . 1 92 92 THR H H 1 9.017622142 0.0203422494 . . . . . . . 92 THR H . 53598 2
388 . 1 . 1 92 92 THR HA H 1 5.301051775 0.02625865809 . . . . . . . 92 THR HA . 53598 2
389 . 1 . 1 92 92 THR C C 13 173.6301831 0.04728037963 . . . . . . . 92 THR C . 53598 2
390 . 1 . 1 92 92 THR CA C 13 61.61816508 0.15042195 . . . . . . . 92 THR CA . 53598 2
391 . 1 . 1 92 92 THR CB C 13 71.23851463 0.137976288 . . . . . . . 92 THR CB . 53598 2
392 . 1 . 1 92 92 THR N N 15 121.7369825 0.07845599116 . . . . . . . 92 THR N . 53598 2
393 . 1 . 1 93 93 GLY H H 1 8.857439501 0.02436860346 . . . . . . . 93 GLY H . 53598 2
394 . 1 . 1 93 93 GLY HA2 H 1 5.647351876 0.001527010252 . . . . . . . 93 GLY HA2 . 53598 2
395 . 1 . 1 93 93 GLY HA3 H 1 3.226737641 0.002477844431 . . . . . . . 93 GLY HA3 . 53598 2
396 . 1 . 1 93 93 GLY C C 13 171.6676074 0 . . . . . . . 93 GLY C . 53598 2
397 . 1 . 1 93 93 GLY CA C 13 45.08843096 0.05634885939 . . . . . . . 93 GLY CA . 53598 2
398 . 1 . 1 93 93 GLY N N 15 110.6888894 0.11986975 . . . . . . . 93 GLY N . 53598 2
399 . 1 . 1 95 95 VAL CA C 13 61.92011823 0 . . . . . . . 95 VAL CA . 53598 2
400 . 1 . 1 96 96 LYS H H 1 9.144763855 0.02470369726 . . . . . . . 96 LYS H . 53598 2
401 . 1 . 1 96 96 LYS HA H 1 5.111783499 0.001148411392 . . . . . . . 96 LYS HA . 53598 2
402 . 1 . 1 96 96 LYS C C 13 174.0724733 0.04052668742 . . . . . . . 96 LYS C . 53598 2
403 . 1 . 1 96 96 LYS CA C 13 54.60140478 0.02949076059 . . . . . . . 96 LYS CA . 53598 2
404 . 1 . 1 96 96 LYS CB C 13 35.95491818 0 . . . . . . . 96 LYS CB . 53598 2
405 . 1 . 1 96 96 LYS N N 15 132.8687152 0.08308756025 . . . . . . . 96 LYS N . 53598 2
406 . 1 . 1 97 97 LYS H H 1 9.229968369 0.02156955624 . . . . . . . 97 LYS H . 53598 2
407 . 1 . 1 97 97 LYS HA H 1 4.618108021 0.03119178431 . . . . . . . 97 LYS HA . 53598 2
408 . 1 . 1 97 97 LYS C C 13 175.2288854 0.07001325125 . . . . . . . 97 LYS C . 53598 2
409 . 1 . 1 97 97 LYS CA C 13 54.43689806 0.0565278553 . . . . . . . 97 LYS CA . 53598 2
410 . 1 . 1 97 97 LYS CB C 13 35.42538747 0.1928577724 . . . . . . . 97 LYS CB . 53598 2
411 . 1 . 1 97 97 LYS N N 15 128.1320878 0.07880853271 . . . . . . . 97 LYS N . 53598 2
412 . 1 . 1 98 98 ASP H H 1 9.927094452 0.00986579647 . . . . . . . 98 ASP H . 53598 2
413 . 1 . 1 98 98 ASP HA H 1 5.078223006 0.007123502256 . . . . . . . 98 ASP HA . 53598 2
414 . 1 . 1 98 98 ASP CA C 13 54.92099921 0.03974088685 . . . . . . . 98 ASP CA . 53598 2
415 . 1 . 1 98 98 ASP CB C 13 43.27317621 0.02195431504 . . . . . . . 98 ASP CB . 53598 2
416 . 1 . 1 98 98 ASP N N 15 125.5409272 0.0822092399 . . . . . . . 98 ASP N . 53598 2
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