Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51632
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ShiftList_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 $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
1 '2D 1H-15N HSQC' . . . 51632 1
2 '3D HNCO' . . . 51632 1
3 '3D HNCA' . . . 51632 1
4 '3D CBCACONH' . . . 51632 1
5 '3D HNCACB' . . . 51632 1
6 '3D HNCACO' . . . 51632 1
7 '3D HN(CO)CA' . . . 51632 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 $software_1 . . 51632 1
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 2 2 ASP C C 13 176.9670413 . . . . . . . . 2 ASP C . 51632 1
2 . 1 . 1 2 2 ASP CA C 13 55.83266573 . . . . . . . . 2 ASP CA . 51632 1
3 . 1 . 1 2 2 ASP CB C 13 41.20630079 0.06563472011 . . . . . . . 2 ASP CB . 51632 1
4 . 1 . 1 3 3 VAL H H 1 7.891764499 0.01937431438 . . . . . . . 3 VAL H . 51632 1
5 . 1 . 1 3 3 VAL C C 13 176.4596294 0.004773629913 . . . . . . . 3 VAL C . 51632 1
6 . 1 . 1 3 3 VAL CA C 13 64.80414017 0.09215576883 . . . . . . . 3 VAL CA . 51632 1
7 . 1 . 1 3 3 VAL CB C 13 32.11831346 0.07023287424 . . . . . . . 3 VAL CB . 51632 1
8 . 1 . 1 3 3 VAL N N 15 118.0938933 0.04998897177 . . . . . . . 3 VAL N . 51632 1
9 . 1 . 1 4 4 PHE H H 1 7.710933098 0.008756680284 . . . . . . . 4 PHE H . 51632 1
10 . 1 . 1 4 4 PHE C C 13 176.8168851 0.02511761206 . . . . . . . 4 PHE C . 51632 1
11 . 1 . 1 4 4 PHE CA C 13 60.04248257 0.05710561129 . . . . . . . 4 PHE CA . 51632 1
12 . 1 . 1 4 4 PHE CB C 13 38.85704396 0.03850799372 . . . . . . . 4 PHE CB . 51632 1
13 . 1 . 1 4 4 PHE N N 15 119.4630864 0.03387533205 . . . . . . . 4 PHE N . 51632 1
14 . 1 . 1 5 5 MET H H 1 8.02883669 0.01401448187 . . . . . . . 5 MET H . 51632 1
15 . 1 . 1 5 5 MET C C 13 178.7357659 0.0333411119 . . . . . . . 5 MET C . 51632 1
16 . 1 . 1 5 5 MET CA C 13 57.37203379 0.07584634579 . . . . . . . 5 MET CA . 51632 1
17 . 1 . 1 5 5 MET CB C 13 31.77975209 . . . . . . . . 5 MET CB . 51632 1
18 . 1 . 1 5 5 MET N N 15 117.7727878 0.06381576897 . . . . . . . 5 MET N . 51632 1
19 . 1 . 1 6 6 LYS H H 1 8.10100374 0.005881059484 . . . . . . . 6 LYS H . 51632 1
20 . 1 . 1 6 6 LYS C C 13 179.0489658 0.01168099577 . . . . . . . 6 LYS C . 51632 1
21 . 1 . 1 6 6 LYS CA C 13 58.79977401 0.05433695886 . . . . . . . 6 LYS CA . 51632 1
22 . 1 . 1 6 6 LYS CB C 13 32.22239314 0.08908020379 . . . . . . . 6 LYS CB . 51632 1
23 . 1 . 1 6 6 LYS N N 15 120.2303627 0.05505901844 . . . . . . . 6 LYS N . 51632 1
24 . 1 . 1 7 7 GLY H H 1 8.236004271 0.00227874219 . . . . . . . 7 GLY H . 51632 1
25 . 1 . 1 7 7 GLY C C 13 174.7237423 0.0004709760947 . . . . . . . 7 GLY C . 51632 1
26 . 1 . 1 7 7 GLY CA C 13 47.02680914 0.07707438527 . . . . . . . 7 GLY CA . 51632 1
27 . 1 . 1 7 7 GLY N N 15 107.737488 0.05387897981 . . . . . . . 7 GLY N . 51632 1
28 . 1 . 1 8 8 LEU H H 1 8.262106153 0.006145966801 . . . . . . . 8 LEU H . 51632 1
29 . 1 . 1 8 8 LEU C C 13 178.4347606 0.01568891192 . . . . . . . 8 LEU C . 51632 1
30 . 1 . 1 8 8 LEU CA C 13 57.77281226 0.05015021953 . . . . . . . 8 LEU CA . 51632 1
31 . 1 . 1 8 8 LEU CB C 13 41.67894206 0.00992019575 . . . . . . . 8 LEU CB . 51632 1
32 . 1 . 1 8 8 LEU N N 15 121.3707132 0.06016550048 . . . . . . . 8 LEU N . 51632 1
33 . 1 . 1 9 9 SER H H 1 8.018815392 0.004093713885 . . . . . . . 9 SER H . 51632 1
34 . 1 . 1 9 9 SER C C 13 176.7410789 0.01012505777 . . . . . . . 9 SER C . 51632 1
35 . 1 . 1 9 9 SER CA C 13 61.68012683 . . . . . . . . 9 SER CA . 51632 1
36 . 1 . 1 9 9 SER CB C 13 62.76062213 . . . . . . . . 9 SER CB . 51632 1
37 . 1 . 1 9 9 SER N N 15 113.3300597 0.01676807575 . . . . . . . 9 SER N . 51632 1
38 . 1 . 1 10 10 LYS H H 1 7.752729369 0.006466776527 . . . . . . . 10 LYS H . 51632 1
39 . 1 . 1 10 10 LYS C C 13 178.6788167 . . . . . . . . 10 LYS C . 51632 1
40 . 1 . 1 10 10 LYS CA C 13 58.263721 . . . . . . . . 10 LYS CA . 51632 1
41 . 1 . 1 10 10 LYS CB C 13 32.16974284 . . . . . . . . 10 LYS CB . 51632 1
42 . 1 . 1 10 10 LYS N N 15 121.453328 0.02689507863 . . . . . . . 10 LYS N . 51632 1
43 . 1 . 1 11 11 ALA H H 1 8.18350465 0.00163717006 . . . . . . . 11 ALA H . 51632 1
44 . 1 . 1 11 11 ALA C C 13 178.62311 0.005223972332 . . . . . . . 11 ALA C . 51632 1
45 . 1 . 1 11 11 ALA CA C 13 54.81517072 0.08431159366 . . . . . . . 11 ALA CA . 51632 1
46 . 1 . 1 11 11 ALA CB C 13 18.33268764 0.009907907866 . . . . . . . 11 ALA CB . 51632 1
47 . 1 . 1 11 11 ALA N N 15 122.0026414 0.01306223157 . . . . . . . 11 ALA N . 51632 1
48 . 1 . 1 12 12 LYS H H 1 8.210726144 0.003038299216 . . . . . . . 12 LYS H . 51632 1
49 . 1 . 1 12 12 LYS C C 13 177.7904402 0.004981014935 . . . . . . . 12 LYS C . 51632 1
50 . 1 . 1 12 12 LYS CA C 13 60.12176282 0.03038538549 . . . . . . . 12 LYS CA . 51632 1
51 . 1 . 1 12 12 LYS CB C 13 32.24478344 0.03456100094 . . . . . . . 12 LYS CB . 51632 1
52 . 1 . 1 12 12 LYS N N 15 117.0718473 0.03244269412 . . . . . . . 12 LYS N . 51632 1
53 . 1 . 1 13 13 GLU H H 1 7.902328208 0.002335574408 . . . . . . . 13 GLU H . 51632 1
54 . 1 . 1 13 13 GLU C C 13 179.5974975 0.006843331396 . . . . . . . 13 GLU C . 51632 1
55 . 1 . 1 13 13 GLU CA C 13 59.10098201 0.06962020824 . . . . . . . 13 GLU CA . 51632 1
56 . 1 . 1 13 13 GLU CB C 13 29.61240419 0.04760501698 . . . . . . . 13 GLU CB . 51632 1
57 . 1 . 1 13 13 GLU N N 15 116.9772472 0.1227904773 . . . . . . . 13 GLU N . 51632 1
58 . 1 . 1 14 14 GLY H H 1 8.230094651 0.004171010488 . . . . . . . 14 GLY H . 51632 1
59 . 1 . 1 14 14 GLY C C 13 175.449038 0.05912049297 . . . . . . . 14 GLY C . 51632 1
60 . 1 . 1 14 14 GLY CA C 13 46.90257606 0.02840068745 . . . . . . . 14 GLY CA . 51632 1
61 . 1 . 1 14 14 GLY N N 15 107.552814 0.04138569637 . . . . . . . 14 GLY N . 51632 1
62 . 1 . 1 15 15 VAL H H 1 8.238329814 0.008459844876 . . . . . . . 15 VAL H . 51632 1
63 . 1 . 1 15 15 VAL C C 13 177.230096 0.0156047546 . . . . . . . 15 VAL C . 51632 1
64 . 1 . 1 15 15 VAL CA C 13 66.51015502 0.08590634317 . . . . . . . 15 VAL CA . 51632 1
65 . 1 . 1 15 15 VAL CB C 13 31.98783743 . . . . . . . . 15 VAL CB . 51632 1
66 . 1 . 1 15 15 VAL N N 15 121.6813881 0.06239711338 . . . . . . . 15 VAL N . 51632 1
67 . 1 . 1 16 16 VAL H H 1 8.006900153 0.001922823392 . . . . . . . 16 VAL H . 51632 1
68 . 1 . 1 16 16 VAL C C 13 178.2146851 0.007558539629 . . . . . . . 16 VAL C . 51632 1
69 . 1 . 1 16 16 VAL CA C 13 66.70064956 0.05842169215 . . . . . . . 16 VAL CA . 51632 1
70 . 1 . 1 16 16 VAL CB C 13 31.64429998 0.05171125126 . . . . . . . 16 VAL CB . 51632 1
71 . 1 . 1 16 16 VAL N N 15 119.4376063 0.008368231125 . . . . . . . 16 VAL N . 51632 1
72 . 1 . 1 17 17 ALA H H 1 7.871567613 0.006023199782 . . . . . . . 17 ALA H . 51632 1
73 . 1 . 1 17 17 ALA C C 13 180.4040893 0.012583003 . . . . . . . 17 ALA C . 51632 1
74 . 1 . 1 17 17 ALA CA C 13 54.75272911 0.02427443461 . . . . . . . 17 ALA CA . 51632 1
75 . 1 . 1 17 17 ALA CB C 13 18.38122913 0.008528108612 . . . . . . . 17 ALA CB . 51632 1
76 . 1 . 1 17 17 ALA N N 15 121.6170635 0.02736121976 . . . . . . . 17 ALA N . 51632 1
77 . 1 . 1 18 18 ALA H H 1 8.113724441 0.003931234679 . . . . . . . 18 ALA H . 51632 1
78 . 1 . 1 18 18 ALA C C 13 179.895045 0.01337738527 . . . . . . . 18 ALA C . 51632 1
79 . 1 . 1 18 18 ALA CA C 13 54.59235829 0.0630614395 . . . . . . . 18 ALA CA . 51632 1
80 . 1 . 1 18 18 ALA CB C 13 18.56150264 0.08777129466 . . . . . . . 18 ALA CB . 51632 1
81 . 1 . 1 18 18 ALA N N 15 120.8760597 0.02144415065 . . . . . . . 18 ALA N . 51632 1
82 . 1 . 1 19 19 ALA H H 1 8.518174798 0.003547765433 . . . . . . . 19 ALA H . 51632 1
83 . 1 . 1 19 19 ALA C C 13 179.170359 0.01188657755 . . . . . . . 19 ALA C . 51632 1
84 . 1 . 1 19 19 ALA CA C 13 55.13566859 0.09310042718 . . . . . . . 19 ALA CA . 51632 1
85 . 1 . 1 19 19 ALA CB C 13 18.46240478 0.0223600216 . . . . . . . 19 ALA CB . 51632 1
86 . 1 . 1 19 19 ALA N N 15 122.4275063 0.01882631997 . . . . . . . 19 ALA N . 51632 1
87 . 1 . 1 20 20 GLU H H 1 8.185913058 0.001544472045 . . . . . . . 20 GLU H . 51632 1
88 . 1 . 1 20 20 GLU C C 13 178.81111 0.005636316224 . . . . . . . 20 GLU C . 51632 1
89 . 1 . 1 20 20 GLU CA C 13 59.21644481 0.0610847734 . . . . . . . 20 GLU CA . 51632 1
90 . 1 . 1 20 20 GLU CB C 13 29.62615099 . . . . . . . . 20 GLU CB . 51632 1
91 . 1 . 1 20 20 GLU N N 15 117.9761093 0.04508265726 . . . . . . . 20 GLU N . 51632 1
92 . 1 . 1 21 21 LYS H H 1 7.903096278 0.003970011209 . . . . . . . 21 LYS H . 51632 1
93 . 1 . 1 21 21 LYS C C 13 178.7001284 0.01556315677 . . . . . . . 21 LYS C . 51632 1
94 . 1 . 1 21 21 LYS CA C 13 58.38165477 0.06830168045 . . . . . . . 21 LYS CA . 51632 1
95 . 1 . 1 21 21 LYS CB C 13 32.63548951 . . . . . . . . 21 LYS CB . 51632 1
96 . 1 . 1 21 21 LYS N N 15 118.5274158 0.04892534617 . . . . . . . 21 LYS N . 51632 1
97 . 1 . 1 22 22 THR H H 1 7.990556335 0.003427660521 . . . . . . . 22 THR H . 51632 1
98 . 1 . 1 22 22 THR C C 13 175.7663459 0.04084194707 . . . . . . . 22 THR C . 51632 1
99 . 1 . 1 22 22 THR CA C 13 65.55457217 0.07944186186 . . . . . . . 22 THR CA . 51632 1
100 . 1 . 1 22 22 THR CB C 13 68.88910321 . . . . . . . . 22 THR CB . 51632 1
101 . 1 . 1 22 22 THR N N 15 114.5159155 0.03829184574 . . . . . . . 22 THR N . 51632 1
102 . 1 . 1 23 23 LYS H H 1 8.171821967 0.006060930218 . . . . . . . 23 LYS H . 51632 1
103 . 1 . 1 23 23 LYS C C 13 177.9039309 0.007650817834 . . . . . . . 23 LYS C . 51632 1
104 . 1 . 1 23 23 LYS CA C 13 59.31923915 0.07183656526 . . . . . . . 23 LYS CA . 51632 1
105 . 1 . 1 23 23 LYS CB C 13 32.34952208 0.009207247873 . . . . . . . 23 LYS CB . 51632 1
106 . 1 . 1 23 23 LYS N N 15 121.1038415 0.02708787788 . . . . . . . 23 LYS N . 51632 1
107 . 1 . 1 24 24 GLN H H 1 7.906392797 0.004565541376 . . . . . . . 24 GLN H . 51632 1
108 . 1 . 1 24 24 GLN C C 13 177.8196731 0.03034184505 . . . . . . . 24 GLN C . 51632 1
109 . 1 . 1 24 24 GLN CA C 13 57.64880388 0.003802529898 . . . . . . . 24 GLN CA . 51632 1
110 . 1 . 1 24 24 GLN CB C 13 29.41165373 . . . . . . . . 24 GLN CB . 51632 1
111 . 1 . 1 24 24 GLN N N 15 117.1147929 0.02732263325 . . . . . . . 24 GLN N . 51632 1
112 . 1 . 1 25 25 GLY H H 1 8.146758417 0.01498299662 . . . . . . . 25 GLY H . 51632 1
113 . 1 . 1 25 25 GLY C C 13 175.7660666 0.004943331792 . . . . . . . 25 GLY C . 51632 1
114 . 1 . 1 25 25 GLY CA C 13 46.55328175 0.03901273371 . . . . . . . 25 GLY CA . 51632 1
115 . 1 . 1 25 25 GLY N N 15 107.8871529 0.08436116089 . . . . . . . 25 GLY N . 51632 1
116 . 1 . 1 26 26 VAL H H 1 8.120229021 0.00541216264 . . . . . . . 26 VAL H . 51632 1
117 . 1 . 1 26 26 VAL C C 13 176.8680889 0.009041920126 . . . . . . . 26 VAL C . 51632 1
118 . 1 . 1 26 26 VAL CA C 13 65.1253974 0.03126019793 . . . . . . . 26 VAL CA . 51632 1
119 . 1 . 1 26 26 VAL CB C 13 32.13331294 . . . . . . . . 26 VAL CB . 51632 1
120 . 1 . 1 26 26 VAL N N 15 120.3194954 0.0517206641 . . . . . . . 26 VAL N . 51632 1
121 . 1 . 1 27 27 ALA H H 1 8.027514571 0.003911753873 . . . . . . . 27 ALA H . 51632 1
122 . 1 . 1 27 27 ALA C C 13 179.7722178 0.01047413863 . . . . . . . 27 ALA C . 51632 1
123 . 1 . 1 27 27 ALA CA C 13 54.65616057 0.002729313593 . . . . . . . 27 ALA CA . 51632 1
124 . 1 . 1 27 27 ALA CB C 13 18.51520268 . . . . . . . . 27 ALA CB . 51632 1
125 . 1 . 1 27 27 ALA N N 15 122.6912278 0.0218086289 . . . . . . . 27 ALA N . 51632 1
126 . 1 . 1 28 28 GLU H H 1 8.019535838 0.004126426152 . . . . . . . 28 GLU H . 51632 1
127 . 1 . 1 28 28 GLU C C 13 177.9259946 0.007654235454 . . . . . . . 28 GLU C . 51632 1
128 . 1 . 1 28 28 GLU CA C 13 57.86806445 0.0183179966 . . . . . . . 28 GLU CA . 51632 1
129 . 1 . 1 28 28 GLU CB C 13 29.73084059 . . . . . . . . 28 GLU CB . 51632 1
130 . 1 . 1 28 28 GLU N N 15 117.5472592 0.02414150284 . . . . . . . 28 GLU N . 51632 1
131 . 1 . 1 29 29 ALA H H 1 7.907743882 0.004893631695 . . . . . . . 29 ALA H . 51632 1
132 . 1 . 1 29 29 ALA C C 13 178.6811947 0.0001779771937 . . . . . . . 29 ALA C . 51632 1
133 . 1 . 1 29 29 ALA CA C 13 53.78910733 0.0655150521 . . . . . . . 29 ALA CA . 51632 1
134 . 1 . 1 29 29 ALA CB C 13 18.86888699 0.03890454917 . . . . . . . 29 ALA CB . 51632 1
135 . 1 . 1 29 29 ALA N N 15 122.6360963 0.01776276691 . . . . . . . 29 ALA N . 51632 1
136 . 1 . 1 30 30 ALA H H 1 8.246316258 0.005340070775 . . . . . . . 30 ALA H . 51632 1
137 . 1 . 1 30 30 ALA C C 13 178.7252905 0.002875320314 . . . . . . . 30 ALA C . 51632 1
138 . 1 . 1 30 30 ALA CA C 13 53.91985979 0.1060947873 . . . . . . . 30 ALA CA . 51632 1
139 . 1 . 1 30 30 ALA CB C 13 18.84242719 0.04209002478 . . . . . . . 30 ALA CB . 51632 1
140 . 1 . 1 30 30 ALA N N 15 121.0542234 0.032619496 . . . . . . . 30 ALA N . 51632 1
141 . 1 . 1 31 31 GLY H H 1 8.133789156 0.003009563815 . . . . . . . 31 GLY H . 51632 1
142 . 1 . 1 31 31 GLY C C 13 175.2237562 0.001456857308 . . . . . . . 31 GLY C . 51632 1
143 . 1 . 1 31 31 GLY CA C 13 46.27817871 0.08308647628 . . . . . . . 31 GLY CA . 51632 1
144 . 1 . 1 31 31 GLY N N 15 106.3577538 0.04880166697 . . . . . . . 31 GLY N . 51632 1
145 . 1 . 1 32 32 LYS H H 1 7.84070126 0.006492911981 . . . . . . . 32 LYS H . 51632 1
146 . 1 . 1 32 32 LYS C C 13 177.393651 0.01467374302 . . . . . . . 32 LYS C . 51632 1
147 . 1 . 1 32 32 LYS CA C 13 56.81802761 0.005015603619 . . . . . . . 32 LYS CA . 51632 1
148 . 1 . 1 32 32 LYS CB C 13 32.99287776 . . . . . . . . 32 LYS CB . 51632 1
149 . 1 . 1 32 32 LYS N N 15 120.0311115 0.02302608085 . . . . . . . 32 LYS N . 51632 1
150 . 1 . 1 33 33 THR H H 1 7.950087721 0.002260893608 . . . . . . . 33 THR H . 51632 1
151 . 1 . 1 33 33 THR C C 13 175.2604296 0.003879419116 . . . . . . . 33 THR C . 51632 1
152 . 1 . 1 33 33 THR CA C 13 62.98623595 0.09501914954 . . . . . . . 33 THR CA . 51632 1
153 . 1 . 1 33 33 THR CB C 13 69.87755416 . . . . . . . . 33 THR CB . 51632 1
154 . 1 . 1 33 33 THR N N 15 113.2773407 0.08474568936 . . . . . . . 33 THR N . 51632 1
155 . 1 . 1 34 34 LYS H H 1 8.298759143 0.01020873588 . . . . . . . 34 LYS H . 51632 1
156 . 1 . 1 34 34 LYS C C 13 177.2447178 0.004864844402 . . . . . . . 34 LYS C . 51632 1
157 . 1 . 1 34 34 LYS CA C 13 59.49097369 0.05634250752 . . . . . . . 34 LYS CA . 51632 1
158 . 1 . 1 34 34 LYS CB C 13 32.31338458 0.03311626087 . . . . . . . 34 LYS CB . 51632 1
159 . 1 . 1 34 34 LYS N N 15 121.8049251 0.04874559388 . . . . . . . 34 LYS N . 51632 1
160 . 1 . 1 35 35 GLU H H 1 8.290158953 0.01148241195 . . . . . . . 35 GLU H . 51632 1
161 . 1 . 1 35 35 GLU C C 13 178.9176308 0.01270320165 . . . . . . . 35 GLU C . 51632 1
162 . 1 . 1 35 35 GLU CA C 13 59.14557093 0.07904562581 . . . . . . . 35 GLU CA . 51632 1
163 . 1 . 1 35 35 GLU CB C 13 29.4841985 0.02254517751 . . . . . . . 35 GLU CB . 51632 1
164 . 1 . 1 35 35 GLU N N 15 117.4557337 0.03672472209 . . . . . . . 35 GLU N . 51632 1
165 . 1 . 1 36 36 GLY H H 1 8.169942487 0.004822901564 . . . . . . . 36 GLY H . 51632 1
166 . 1 . 1 36 36 GLY C C 13 176.2105953 0.0008334917114 . . . . . . . 36 GLY C . 51632 1
167 . 1 . 1 36 36 GLY CA C 13 46.5582972 0.04294345264 . . . . . . . 36 GLY CA . 51632 1
168 . 1 . 1 36 36 GLY N N 15 108.6498044 0.06110103813 . . . . . . . 36 GLY N . 51632 1
169 . 1 . 1 37 37 VAL H H 1 8.145525579 0.001998934354 . . . . . . . 37 VAL H . 51632 1
170 . 1 . 1 37 37 VAL C C 13 177.3357264 0.01041844858 . . . . . . . 37 VAL C . 51632 1
171 . 1 . 1 37 37 VAL CA C 13 66.08879016 0.05355467092 . . . . . . . 37 VAL CA . 51632 1
172 . 1 . 1 37 37 VAL CB C 13 31.62503987 0.07147591535 . . . . . . . 37 VAL CB . 51632 1
173 . 1 . 1 37 37 VAL N N 15 122.0331866 0.01809923766 . . . . . . . 37 VAL N . 51632 1
174 . 1 . 1 38 38 LEU H H 1 8.127484283 0.009080875821 . . . . . . . 38 LEU H . 51632 1
175 . 1 . 1 38 38 LEU C C 13 179.2040262 0.0179947452 . . . . . . . 38 LEU C . 51632 1
176 . 1 . 1 38 38 LEU CA C 13 57.75849152 0.04512499078 . . . . . . . 38 LEU CA . 51632 1
177 . 1 . 1 38 38 LEU CB C 13 40.99404829 0.05042139335 . . . . . . . 38 LEU CB . 51632 1
178 . 1 . 1 38 38 LEU N N 15 119.3225034 0.04141369849 . . . . . . . 38 LEU N . 51632 1
179 . 1 . 1 39 39 ALA H H 1 7.871827975 0.006615311638 . . . . . . . 39 ALA H . 51632 1
180 . 1 . 1 39 39 ALA C C 13 180.0934876 0.008898468441 . . . . . . . 39 ALA C . 51632 1
181 . 1 . 1 39 39 ALA CA C 13 54.59647564 0.06621251431 . . . . . . . 39 ALA CA . 51632 1
182 . 1 . 1 39 39 ALA CB C 13 18.43688897 0.01478957537 . . . . . . . 39 ALA CB . 51632 1
183 . 1 . 1 39 39 ALA N N 15 121.1569801 0.02846493902 . . . . . . . 39 ALA N . 51632 1
184 . 1 . 1 40 40 ALA H H 1 7.84614287 0.004592006701 . . . . . . . 40 ALA H . 51632 1
185 . 1 . 1 40 40 ALA C C 13 179.7333096 0.0193559989 . . . . . . . 40 ALA C . 51632 1
186 . 1 . 1 40 40 ALA CA C 13 54.32489633 0.05682993277 . . . . . . . 40 ALA CA . 51632 1
187 . 1 . 1 40 40 ALA CB C 13 18.5079212 0.001069416617 . . . . . . . 40 ALA CB . 51632 1
188 . 1 . 1 40 40 ALA N N 15 121.1162529 0.04613713646 . . . . . . . 40 ALA N . 51632 1
189 . 1 . 1 41 41 ALA H H 1 8.357923 0.009715209494 . . . . . . . 41 ALA H . 51632 1
190 . 1 . 1 41 41 ALA C C 13 178.597366 0.0126176697 . . . . . . . 41 ALA C . 51632 1
191 . 1 . 1 41 41 ALA CA C 13 54.83894853 0.09711127005 . . . . . . . 41 ALA CA . 51632 1
192 . 1 . 1 41 41 ALA CB C 13 18.44498426 . . . . . . . . 41 ALA CB . 51632 1
193 . 1 . 1 41 41 ALA N N 15 122.1254151 0.0625147457 . . . . . . . 41 ALA N . 51632 1
194 . 1 . 1 42 42 GLU H H 1 8.139902886 0.01440333393 . . . . . . . 42 GLU H . 51632 1
195 . 1 . 1 42 42 GLU C C 13 178.2481817 0.01568375123 . . . . . . . 42 GLU C . 51632 1
196 . 1 . 1 42 42 GLU CA C 13 58.98990473 0.08312924601 . . . . . . . 42 GLU CA . 51632 1
197 . 1 . 1 42 42 GLU CB C 13 29.62536598 . . . . . . . . 42 GLU CB . 51632 1
198 . 1 . 1 42 42 GLU N N 15 118.1495791 0.07784846691 . . . . . . . 42 GLU N . 51632 1
199 . 1 . 1 43 43 LYS H H 1 7.810879102 0.005201393903 . . . . . . . 43 LYS H . 51632 1
200 . 1 . 1 43 43 LYS C C 13 178.3183361 0.04980870883 . . . . . . . 43 LYS C . 51632 1
201 . 1 . 1 43 43 LYS CA C 13 58.03967822 0.01379140964 . . . . . . . 43 LYS CA . 51632 1
202 . 1 . 1 43 43 LYS CB C 13 32.57183196 . . . . . . . . 43 LYS CB . 51632 1
203 . 1 . 1 43 43 LYS N N 15 118.467048 0.06249011128 . . . . . . . 43 LYS N . 51632 1
204 . 1 . 1 44 44 THR H H 1 7.965172965 0.003551586877 . . . . . . . 44 THR H . 51632 1
205 . 1 . 1 44 44 THR C C 13 175.5196392 0.02961968955 . . . . . . . 44 THR C . 51632 1
206 . 1 . 1 44 44 THR CA C 13 64.87652618 0.09352409982 . . . . . . . 44 THR CA . 51632 1
207 . 1 . 1 44 44 THR CB C 13 68.96996894 . . . . . . . . 44 THR CB . 51632 1
208 . 1 . 1 44 44 THR N N 15 114.5861268 0.06998361169 . . . . . . . 44 THR N . 51632 1
209 . 1 . 1 45 45 LYS H H 1 8.246095045 0.005987424602 . . . . . . . 45 LYS H . 51632 1
210 . 1 . 1 45 45 LYS C C 13 177.3192065 . . . . . . . . 45 LYS C . 51632 1
211 . 1 . 1 45 45 LYS CA C 13 59.9869054 0.01152851486 . . . . . . . 45 LYS CA . 51632 1
212 . 1 . 1 45 45 LYS CB C 13 31.6847169 0.0000003372 . . . . . . . 45 LYS CB . 51632 1
213 . 1 . 1 45 45 LYS N N 15 121.7356671 0.01487936257 . . . . . . . 45 LYS N . 51632 1
214 . 1 . 1 46 46 GLU H H 1 8.102663358 0.003877377872 . . . . . . . 46 GLU H . 51632 1
215 . 1 . 1 46 46 GLU C C 13 178.6604774 0.01588676762 . . . . . . . 46 GLU C . 51632 1
216 . 1 . 1 46 46 GLU CA C 13 59.01127071 0.02933865439 . . . . . . . 46 GLU CA . 51632 1
217 . 1 . 1 46 46 GLU CB C 13 29.92222651 . . . . . . . . 46 GLU CB . 51632 1
218 . 1 . 1 46 46 GLU N N 15 117.2754728 0.05317061287 . . . . . . . 46 GLU N . 51632 1
219 . 1 . 1 47 47 GLY H H 1 8.127525017 0.006299703318 . . . . . . . 47 GLY H . 51632 1
220 . 1 . 1 47 47 GLY C C 13 176.2512299 0.009439581884 . . . . . . . 47 GLY C . 51632 1
221 . 1 . 1 47 47 GLY CA C 13 46.6762825 0 . . . . . . . 47 GLY CA . 51632 1
222 . 1 . 1 47 47 GLY N N 15 107.5488282 0.01845148695 . . . . . . . 47 GLY N . 51632 1
223 . 1 . 1 48 48 VAL H H 1 8.204094604 0.00132887571 . . . . . . . 48 VAL H . 51632 1
224 . 1 . 1 48 48 VAL C C 13 177.1857801 0.01326088413 . . . . . . . 48 VAL C . 51632 1
225 . 1 . 1 48 48 VAL CA C 13 66.11289047 0.04969029865 . . . . . . . 48 VAL CA . 51632 1
226 . 1 . 1 48 48 VAL CB C 13 31.60956146 . . . . . . . . 48 VAL CB . 51632 1
227 . 1 . 1 48 48 VAL N N 15 121.6810667 0.005155263272 . . . . . . . 48 VAL N . 51632 1
228 . 1 . 1 49 49 VAL H H 1 8.176761299 0.01710397058 . . . . . . . 49 VAL H . 51632 1
229 . 1 . 1 49 49 VAL C C 13 177.7432433 0.0008992981934 . . . . . . . 49 VAL C . 51632 1
230 . 1 . 1 49 49 VAL CA C 13 66.68843266 . . . . . . . . 49 VAL CA . 51632 1
231 . 1 . 1 49 49 VAL CB C 13 31.6626708 . . . . . . . . 49 VAL CB . 51632 1
232 . 1 . 1 49 49 VAL N N 15 119.070278 0.01621305919 . . . . . . . 49 VAL N . 51632 1
233 . 1 . 1 50 50 HIS H H 1 8.065224823 0.002003685693 . . . . . . . 50 HIS H . 51632 1
234 . 1 . 1 50 50 HIS C C 13 177.7651234 0.07773614543 . . . . . . . 50 HIS C . 51632 1
235 . 1 . 1 50 50 HIS CA C 13 58.82237129 . . . . . . . . 50 HIS CA . 51632 1
236 . 1 . 1 50 50 HIS CB C 13 29.48208064 . . . . . . . . 50 HIS CB . 51632 1
237 . 1 . 1 50 50 HIS N N 15 117.6581482 0.05361496892 . . . . . . . 50 HIS N . 51632 1
238 . 1 . 1 51 51 GLY H H 1 8.376036115 0.01382013228 . . . . . . . 51 GLY H . 51632 1
239 . 1 . 1 51 51 GLY C C 13 175.2751793 . . . . . . . . 51 GLY C . 51632 1
240 . 1 . 1 51 51 GLY CA C 13 47.19928836 0.05239872482 . . . . . . . 51 GLY CA . 51632 1
241 . 1 . 1 51 51 GLY N N 15 109.2639377 0.1085360484 . . . . . . . 51 GLY N . 51632 1
242 . 1 . 1 52 52 VAL H H 1 8.471024017 0.00242738756 . . . . . . . 52 VAL H . 51632 1
243 . 1 . 1 52 52 VAL C C 13 177.010001 0.01887249456 . . . . . . . 52 VAL C . 51632 1
244 . 1 . 1 52 52 VAL CA C 13 66.37249901 0.07115042877 . . . . . . . 52 VAL CA . 51632 1
245 . 1 . 1 52 52 VAL CB C 13 31.60194878 . . . . . . . . 52 VAL CB . 51632 1
246 . 1 . 1 52 52 VAL N N 15 120.9459799 0.01503510488 . . . . . . . 52 VAL N . 51632 1
247 . 1 . 1 53 53 ALA H H 1 8.097233946 0.009629104184 . . . . . . . 53 ALA H . 51632 1
248 . 1 . 1 53 53 ALA C C 13 180.2455285 0.02368913303 . . . . . . . 53 ALA C . 51632 1
249 . 1 . 1 53 53 ALA CA C 13 55.15544639 0.05828446433 . . . . . . . 53 ALA CA . 51632 1
250 . 1 . 1 53 53 ALA CB C 13 18.40196426 0.02878573841 . . . . . . . 53 ALA CB . 51632 1
251 . 1 . 1 53 53 ALA N N 15 121.55798 0.02897863797 . . . . . . . 53 ALA N . 51632 1
252 . 1 . 1 54 54 THR H H 1 7.894168601 0.005918193991 . . . . . . . 54 THR H . 51632 1
253 . 1 . 1 54 54 THR C C 13 176.3809259 0.003128605305 . . . . . . . 54 THR C . 51632 1
254 . 1 . 1 54 54 THR CA C 13 65.96383085 0.04879462719 . . . . . . . 54 THR CA . 51632 1
255 . 1 . 1 54 54 THR CB C 13 68.79811796 . . . . . . . . 54 THR CB . 51632 1
256 . 1 . 1 54 54 THR N N 15 113.9460104 0.06184101564 . . . . . . . 54 THR N . 51632 1
257 . 1 . 1 55 55 VAL H H 1 7.925459663 0.002489088574 . . . . . . . 55 VAL H . 51632 1
258 . 1 . 1 55 55 VAL C C 13 178.4217477 0.009557645588 . . . . . . . 55 VAL C . 51632 1
259 . 1 . 1 55 55 VAL CA C 13 65.98601445 0.05861262898 . . . . . . . 55 VAL CA . 51632 1
260 . 1 . 1 55 55 VAL CB C 13 31.7274477 . . . . . . . . 55 VAL CB . 51632 1
261 . 1 . 1 55 55 VAL N N 15 121.3883641 0.03749579384 . . . . . . . 55 VAL N . 51632 1
262 . 1 . 1 56 56 ALA H H 1 8.695377749 0.008095267545 . . . . . . . 56 ALA H . 51632 1
263 . 1 . 1 56 56 ALA C C 13 178.8314483 0.01405123854 . . . . . . . 56 ALA C . 51632 1
264 . 1 . 1 56 56 ALA CA C 13 55.47024627 0.05837261728 . . . . . . . 56 ALA CA . 51632 1
265 . 1 . 1 56 56 ALA CB C 13 18.48294373 0.03483605629 . . . . . . . 56 ALA CB . 51632 1
266 . 1 . 1 56 56 ALA N N 15 124.8117961 0.05671952367 . . . . . . . 56 ALA N . 51632 1
267 . 1 . 1 57 57 GLU H H 1 7.99014132 0.001123346803 . . . . . . . 57 GLU H . 51632 1
268 . 1 . 1 57 57 GLU C C 13 178.9575935 0.02412019529 . . . . . . . 57 GLU C . 51632 1
269 . 1 . 1 57 57 GLU CA C 13 59.43111149 0.09295104549 . . . . . . . 57 GLU CA . 51632 1
270 . 1 . 1 57 57 GLU CB C 13 29.81402135 . . . . . . . . 57 GLU CB . 51632 1
271 . 1 . 1 57 57 GLU N N 15 117.5746917 0.02414820651 . . . . . . . 57 GLU N . 51632 1
272 . 1 . 1 58 58 LYS H H 1 7.966348171 0.004520452051 . . . . . . . 58 LYS H . 51632 1
273 . 1 . 1 58 58 LYS C C 13 178.7078786 0.01323801952 . . . . . . . 58 LYS C . 51632 1
274 . 1 . 1 58 58 LYS CA C 13 58.39149303 0.03604417908 . . . . . . . 58 LYS CA . 51632 1
275 . 1 . 1 58 58 LYS CB C 13 32.53869446 . . . . . . . . 58 LYS CB . 51632 1
276 . 1 . 1 58 58 LYS N N 15 118.2591068 0.03546858064 . . . . . . . 58 LYS N . 51632 1
277 . 1 . 1 59 59 THR H H 1 8.113657037 0.001669695887 . . . . . . . 59 THR H . 51632 1
278 . 1 . 1 59 59 THR C C 13 176.1078082 0.007309558472 . . . . . . . 59 THR C . 51632 1
279 . 1 . 1 59 59 THR CA C 13 66.02215615 0.03382994163 . . . . . . . 59 THR CA . 51632 1
280 . 1 . 1 59 59 THR CB C 13 68.53583808 . . . . . . . . 59 THR CB . 51632 1
281 . 1 . 1 59 59 THR N N 15 114.4353279 0.01741579983 . . . . . . . 59 THR N . 51632 1
282 . 1 . 1 60 60 LYS H H 1 8.074167666 0.004083234449 . . . . . . . 60 LYS H . 51632 1
283 . 1 . 1 60 60 LYS C C 13 178.3190662 0.0223689633 . . . . . . . 60 LYS C . 51632 1
284 . 1 . 1 60 60 LYS CA C 13 59.84136101 0.03838619533 . . . . . . . 60 LYS CA . 51632 1
285 . 1 . 1 60 60 LYS CB C 13 32.29603984 . . . . . . . . 60 LYS CB . 51632 1
286 . 1 . 1 60 60 LYS N N 15 121.0153905 0.05843632295 . . . . . . . 60 LYS N . 51632 1
287 . 1 . 1 61 61 GLU H H 1 7.899785569 0.01739883091 . . . . . . . 61 GLU H . 51632 1
288 . 1 . 1 61 61 GLU C C 13 177.9467436 0.003045577108 . . . . . . . 61 GLU C . 51632 1
289 . 1 . 1 61 61 GLU CA C 13 58.65647688 0.006756132999 . . . . . . . 61 GLU CA . 51632 1
290 . 1 . 1 61 61 GLU CB C 13 29.86056377 . . . . . . . . 61 GLU CB . 51632 1
291 . 1 . 1 61 61 GLU N N 15 118.0773255 0.06149340573 . . . . . . . 61 GLU N . 51632 1
292 . 1 . 1 62 62 GLN H H 1 7.918315845 0.007421111276 . . . . . . . 62 GLN H . 51632 1
293 . 1 . 1 62 62 GLN C C 13 177.8614293 0.005905869044 . . . . . . . 62 GLN C . 51632 1
294 . 1 . 1 62 62 GLN CA C 13 57.66117078 0.06477990257 . . . . . . . 62 GLN CA . 51632 1
295 . 1 . 1 62 62 GLN CB C 13 28.98511001 0.09018793438 . . . . . . . 62 GLN CB . 51632 1
296 . 1 . 1 62 62 GLN N N 15 117.3311202 0.02748990129 . . . . . . . 62 GLN N . 51632 1
297 . 1 . 1 63 63 VAL H H 1 8.163123757 0.004485336789 . . . . . . . 63 VAL H . 51632 1
298 . 1 . 1 63 63 VAL C C 13 177.0151536 0.01967113893 . . . . . . . 63 VAL C . 51632 1
299 . 1 . 1 63 63 VAL CA C 13 65.0520107 0.04403042485 . . . . . . . 63 VAL CA . 51632 1
300 . 1 . 1 63 63 VAL CB C 13 31.76503042 . . . . . . . . 63 VAL CB . 51632 1
301 . 1 . 1 63 63 VAL N N 15 117.8339942 0.03895405411 . . . . . . . 63 VAL N . 51632 1
302 . 1 . 1 64 64 THR H H 1 7.913074029 0.004591747789 . . . . . . . 64 THR H . 51632 1
303 . 1 . 1 64 64 THR C C 13 175.7459296 0.03754978439 . . . . . . . 64 THR C . 51632 1
304 . 1 . 1 64 64 THR CA C 13 64.32864658 0.0362019954 . . . . . . . 64 THR CA . 51632 1
305 . 1 . 1 64 64 THR CB C 13 69.01998752 . . . . . . . . 64 THR CB . 51632 1
306 . 1 . 1 64 64 THR N N 15 113.2020421 0.03655857029 . . . . . . . 64 THR N . 51632 1
307 . 1 . 1 65 65 ASN H H 1 8.01095427 0.004248413813 . . . . . . . 65 ASN H . 51632 1
308 . 1 . 1 65 65 ASN C C 13 176.4878984 0.01643388251 . . . . . . . 65 ASN C . 51632 1
309 . 1 . 1 65 65 ASN CA C 13 54.60494266 0.04627882735 . . . . . . . 65 ASN CA . 51632 1
310 . 1 . 1 65 65 ASN CB C 13 38.97111294 0.02330195434 . . . . . . . 65 ASN CB . 51632 1
311 . 1 . 1 65 65 ASN N N 15 120.0613336 0.02451643543 . . . . . . . 65 ASN N . 51632 1
312 . 1 . 1 66 66 VAL H H 1 8.010273005 0.00403423708 . . . . . . . 66 VAL H . 51632 1
313 . 1 . 1 66 66 VAL C C 13 177.024323 0.002363732151 . . . . . . . 66 VAL C . 51632 1
314 . 1 . 1 66 66 VAL CA C 13 64.15566026 0.05037933365 . . . . . . . 66 VAL CA . 51632 1
315 . 1 . 1 66 66 VAL CB C 13 32.03284241 . . . . . . . . 66 VAL CB . 51632 1
316 . 1 . 1 66 66 VAL N N 15 118.4423257 0.06469230787 . . . . . . . 66 VAL N . 51632 1
317 . 1 . 1 67 67 GLY H H 1 8.335086931 0.003846071898 . . . . . . . 67 GLY H . 51632 1
318 . 1 . 1 67 67 GLY C C 13 175.1534362 0.009333948412 . . . . . . . 67 GLY C . 51632 1
319 . 1 . 1 67 67 GLY CA C 13 47.05148188 0.06081863855 . . . . . . . 67 GLY CA . 51632 1
320 . 1 . 1 67 67 GLY N N 15 108.6379299 0.06191973239 . . . . . . . 67 GLY N . 51632 1
321 . 1 . 1 68 68 GLY H H 1 8.159436374 0.002438842 . . . . . . . 68 GLY H . 51632 1
322 . 1 . 1 68 68 GLY C C 13 175.7765761 0.003935907144 . . . . . . . 68 GLY C . 51632 1
323 . 1 . 1 68 68 GLY CA C 13 46.72459702 0.09567752083 . . . . . . . 68 GLY CA . 51632 1
324 . 1 . 1 68 68 GLY N N 15 107.7700662 0.05259683352 . . . . . . . 68 GLY N . 51632 1
325 . 1 . 1 69 69 ALA H H 1 7.945903364 0.003386542208 . . . . . . . 69 ALA H . 51632 1
326 . 1 . 1 69 69 ALA C C 13 179.8311052 0.009685541148 . . . . . . . 69 ALA C . 51632 1
327 . 1 . 1 69 69 ALA CA C 13 54.56031923 0.07443727664 . . . . . . . 69 ALA CA . 51632 1
328 . 1 . 1 69 69 ALA CB C 13 18.77950823 0.007504259985 . . . . . . . 69 ALA CB . 51632 1
329 . 1 . 1 69 69 ALA N N 15 124.5005472 0.02517508539 . . . . . . . 69 ALA N . 51632 1
330 . 1 . 1 70 70 VAL H H 1 8.047297887 0.004062589056 . . . . . . . 70 VAL H . 51632 1
331 . 1 . 1 70 70 VAL C C 13 177.3597109 0.01950066433 . . . . . . . 70 VAL C . 51632 1
332 . 1 . 1 70 70 VAL CA C 13 66.18128843 0.01235291905 . . . . . . . 70 VAL CA . 51632 1
333 . 1 . 1 70 70 VAL CB C 13 31.63306893 . . . . . . . . 70 VAL CB . 51632 1
334 . 1 . 1 70 70 VAL N N 15 117.9924623 0.1009597059 . . . . . . . 70 VAL N . 51632 1
335 . 1 . 1 71 71 VAL H H 1 8.016985953 0.004258699952 . . . . . . . 71 VAL H . 51632 1
336 . 1 . 1 71 71 VAL C C 13 178.7271238 0.01910605863 . . . . . . . 71 VAL C . 51632 1
337 . 1 . 1 71 71 VAL CA C 13 66.76801131 0.07619503282 . . . . . . . 71 VAL CA . 51632 1
338 . 1 . 1 71 71 VAL CB C 13 31.64780078 . . . . . . . . 71 VAL CB . 51632 1
339 . 1 . 1 71 71 VAL N N 15 118.7363219 0.02810177523 . . . . . . . 71 VAL N . 51632 1
340 . 1 . 1 72 72 THR H H 1 8.16268147 0.005680608466 . . . . . . . 72 THR H . 51632 1
341 . 1 . 1 72 72 THR C C 13 176.6181898 0.01459788961 . . . . . . . 72 THR C . 51632 1
342 . 1 . 1 72 72 THR CA C 13 66.13583895 0.06404570659 . . . . . . . 72 THR CA . 51632 1
343 . 1 . 1 72 72 THR CB C 13 68.59556073 0.06128271909 . . . . . . . 72 THR CB . 51632 1
344 . 1 . 1 72 72 THR N N 15 116.7402575 0.05205348849 . . . . . . . 72 THR N . 51632 1
345 . 1 . 1 73 73 GLY H H 1 8.244739752 0.004056450214 . . . . . . . 73 GLY H . 51632 1
346 . 1 . 1 73 73 GLY C C 13 175.0278184 0.02413291458 . . . . . . . 73 GLY C . 51632 1
347 . 1 . 1 73 73 GLY CA C 13 47.34513879 0.09519117816 . . . . . . . 73 GLY CA . 51632 1
348 . 1 . 1 73 73 GLY N N 15 110.1706056 0.07524167293 . . . . . . . 73 GLY N . 51632 1
349 . 1 . 1 74 74 VAL H H 1 8.576279184 0.003842496855 . . . . . . . 74 VAL H . 51632 1
350 . 1 . 1 74 74 VAL C C 13 177.5829859 0.009827177518 . . . . . . . 74 VAL C . 51632 1
351 . 1 . 1 74 74 VAL CA C 13 66.42962066 0.08235549895 . . . . . . . 74 VAL CA . 51632 1
352 . 1 . 1 74 74 VAL CB C 13 31.59306631 . . . . . . . . 74 VAL CB . 51632 1
353 . 1 . 1 74 74 VAL N N 15 120.1494957 0.04109872004 . . . . . . . 74 VAL N . 51632 1
354 . 1 . 1 75 75 THR H H 1 8.085342526 0.003572289505 . . . . . . . 75 THR H . 51632 1
355 . 1 . 1 75 75 THR C C 13 176.1063091 0.003200554308 . . . . . . . 75 THR C . 51632 1
356 . 1 . 1 75 75 THR CA C 13 66.51279745 0.1088918685 . . . . . . . 75 THR CA . 51632 1
357 . 1 . 1 75 75 THR CB C 13 68.62777609 . . . . . . . . 75 THR CB . 51632 1
358 . 1 . 1 75 75 THR N N 15 113.7325518 0.04901926898 . . . . . . . 75 THR N . 51632 1
359 . 1 . 1 76 76 ALA H H 1 7.784519439 0.007009857626 . . . . . . . 76 ALA H . 51632 1
360 . 1 . 1 76 76 ALA C C 13 180.5888972 0.02053170182 . . . . . . . 76 ALA C . 51632 1
361 . 1 . 1 76 76 ALA CA C 13 55.09577272 0.07068792849 . . . . . . . 76 ALA CA . 51632 1
362 . 1 . 1 76 76 ALA CB C 13 18.38937907 0.009434156988 . . . . . . . 76 ALA CB . 51632 1
363 . 1 . 1 76 76 ALA N N 15 123.5530967 0.01705335021 . . . . . . . 76 ALA N . 51632 1
364 . 1 . 1 77 77 VAL H H 1 7.833216455 0.003903141829 . . . . . . . 77 VAL H . 51632 1
365 . 1 . 1 77 77 VAL C C 13 178.4156239 0.006858056548 . . . . . . . 77 VAL C . 51632 1
366 . 1 . 1 77 77 VAL CA C 13 65.7831126 0.06640286266 . . . . . . . 77 VAL CA . 51632 1
367 . 1 . 1 77 77 VAL CB C 13 31.86432607 . . . . . . . . 77 VAL CB . 51632 1
368 . 1 . 1 77 77 VAL N N 15 117.3401788 0.05242187124 . . . . . . . 77 VAL N . 51632 1
369 . 1 . 1 78 78 ALA H H 1 8.494232432 0.002820215261 . . . . . . . 78 ALA H . 51632 1
370 . 1 . 1 78 78 ALA C C 13 178.9735669 0.008711982907 . . . . . . . 78 ALA C . 51632 1
371 . 1 . 1 78 78 ALA CA C 13 55.29631071 0.02319079 . . . . . . . 78 ALA CA . 51632 1
372 . 1 . 1 78 78 ALA CB C 13 18.45080767 0.02967794412 . . . . . . . 78 ALA CB . 51632 1
373 . 1 . 1 78 78 ALA N N 15 124.0619742 0.03625299724 . . . . . . . 78 ALA N . 51632 1
374 . 1 . 1 79 79 GLN H H 1 8.13271718 0.005096925668 . . . . . . . 79 GLN H . 51632 1
375 . 1 . 1 79 79 GLN C C 13 177.8922719 0.01165573025 . . . . . . . 79 GLN C . 51632 1
376 . 1 . 1 79 79 GLN CA C 13 58.04816964 0.005299992096 . . . . . . . 79 GLN CA . 51632 1
377 . 1 . 1 79 79 GLN CB C 13 28.55517491 0.0650983849 . . . . . . . 79 GLN CB . 51632 1
378 . 1 . 1 79 79 GLN N N 15 115.5986708 0.03304328604 . . . . . . . 79 GLN N . 51632 1
379 . 1 . 1 80 80 LYS H H 1 7.815889935 0.00510641402 . . . . . . . 80 LYS H . 51632 1
380 . 1 . 1 80 80 LYS C C 13 178.2606534 0.007874001583 . . . . . . . 80 LYS C . 51632 1
381 . 1 . 1 80 80 LYS CA C 13 58.02588681 . . . . . . . . 80 LYS CA . 51632 1
382 . 1 . 1 80 80 LYS CB C 13 32.57183196 . . . . . . . . 80 LYS CB . 51632 1
383 . 1 . 1 80 80 LYS N N 15 118.4250221 0.06609364715 . . . . . . . 80 LYS N . 51632 1
384 . 1 . 1 81 81 THR H H 1 7.990913934 0.003101595372 . . . . . . . 81 THR H . 51632 1
385 . 1 . 1 81 81 THR C C 13 175.713335 0.008759431678 . . . . . . . 81 THR C . 51632 1
386 . 1 . 1 81 81 THR CA C 13 65.19159483 0.05984938071 . . . . . . . 81 THR CA . 51632 1
387 . 1 . 1 81 81 THR CB C 13 68.94142302 0.05399026784 . . . . . . . 81 THR CB . 51632 1
388 . 1 . 1 81 81 THR N N 15 114.5175235 0.0427271889 . . . . . . . 81 THR N . 51632 1
389 . 1 . 1 82 82 VAL H H 1 7.913013948 0.005889541603 . . . . . . . 82 VAL H . 51632 1
390 . 1 . 1 82 82 VAL C C 13 177.4410985 0.01987876857 . . . . . . . 82 VAL C . 51632 1
391 . 1 . 1 82 82 VAL CA C 13 64.76746512 0.06610635762 . . . . . . . 82 VAL CA . 51632 1
392 . 1 . 1 82 82 VAL CB C 13 32.12328961 0.02906390749 . . . . . . . 82 VAL CB . 51632 1
393 . 1 . 1 82 82 VAL N N 15 120.1803639 0.03815717458 . . . . . . . 82 VAL N . 51632 1
394 . 1 . 1 83 83 GLU H H 1 8.030163954 0.002072101337 . . . . . . . 83 GLU H . 51632 1
395 . 1 . 1 83 83 GLU C C 13 178.1341904 0.00233676364 . . . . . . . 83 GLU C . 51632 1
396 . 1 . 1 83 83 GLU CA C 13 58.02245454 0.06574058031 . . . . . . . 83 GLU CA . 51632 1
397 . 1 . 1 83 83 GLU CB C 13 29.87257922 0.0162625576 . . . . . . . 83 GLU CB . 51632 1
398 . 1 . 1 83 83 GLU N N 15 120.8821252 0.01324524746 . . . . . . . 83 GLU N . 51632 1
399 . 1 . 1 84 84 GLY H H 1 8.109494467 0.006588581845 . . . . . . . 84 GLY H . 51632 1
400 . 1 . 1 84 84 GLY C C 13 174.6717683 0.03131013457 . . . . . . . 84 GLY C . 51632 1
401 . 1 . 1 84 84 GLY CA C 13 46.01901966 0.08315649386 . . . . . . . 84 GLY CA . 51632 1
402 . 1 . 1 84 84 GLY N N 15 108.0334797 0.03296795798 . . . . . . . 84 GLY N . 51632 1
403 . 1 . 1 85 85 ALA H H 1 8.185853002 0.00379191037 . . . . . . . 85 ALA H . 51632 1
404 . 1 . 1 85 85 ALA C C 13 178.491119 0.01252977981 . . . . . . . 85 ALA C . 51632 1
405 . 1 . 1 85 85 ALA CA C 13 53.75444587 0.05456650356 . . . . . . . 85 ALA CA . 51632 1
406 . 1 . 1 85 85 ALA CB C 13 18.9871037 0.06557599496 . . . . . . . 85 ALA CB . 51632 1
407 . 1 . 1 85 85 ALA N N 15 123.4798895 0.01397807801 . . . . . . . 85 ALA N . 51632 1
408 . 1 . 1 86 86 GLY H H 1 8.30040009 0.001980606231 . . . . . . . 86 GLY H . 51632 1
409 . 1 . 1 86 86 GLY C C 13 175.2330674 0.01568069024 . . . . . . . 86 GLY C . 51632 1
410 . 1 . 1 86 86 GLY CA C 13 46.29977514 0.04816523901 . . . . . . . 86 GLY CA . 51632 1
411 . 1 . 1 86 86 GLY N N 15 106.2732074 0.04526810445 . . . . . . . 86 GLY N . 51632 1
412 . 1 . 1 87 87 SER H H 1 7.949388132 0.002420365852 . . . . . . . 87 SER H . 51632 1
413 . 1 . 1 87 87 SER C C 13 175.6998738 0.005026954011 . . . . . . . 87 SER C . 51632 1
414 . 1 . 1 87 87 SER CA C 13 59.94083479 0.07642463646 . . . . . . . 87 SER CA . 51632 1
415 . 1 . 1 87 87 SER CB C 13 63.55312983 0.05139247554 . . . . . . . 87 SER CB . 51632 1
416 . 1 . 1 87 87 SER N N 15 115.7190177 0.03973558979 . . . . . . . 87 SER N . 51632 1
417 . 1 . 1 88 88 ILE H H 1 8.045955344 0.003460785332 . . . . . . . 88 ILE H . 51632 1
418 . 1 . 1 88 88 ILE C C 13 177.5298855 0.006765727487 . . . . . . . 88 ILE C . 51632 1
419 . 1 . 1 88 88 ILE CA C 13 63.59117433 0.06696595661 . . . . . . . 88 ILE CA . 51632 1
420 . 1 . 1 88 88 ILE CB C 13 37.65756808 . . . . . . . . 88 ILE CB . 51632 1
421 . 1 . 1 88 88 ILE N N 15 122.1078327 0.05506116767 . . . . . . . 88 ILE N . 51632 1
422 . 1 . 1 89 89 ALA H H 1 8.160106997 0.005493168216 . . . . . . . 89 ALA H . 51632 1
423 . 1 . 1 89 89 ALA C C 13 179.2889822 0.003601480316 . . . . . . . 89 ALA C . 51632 1
424 . 1 . 1 89 89 ALA CA C 13 54.61763267 0.02813319846 . . . . . . . 89 ALA CA . 51632 1
425 . 1 . 1 89 89 ALA CB C 13 18.46339569 . . . . . . . . 89 ALA CB . 51632 1
426 . 1 . 1 89 89 ALA N N 15 123.5914487 0.02014226407 . . . . . . . 89 ALA N . 51632 1
427 . 1 . 1 90 90 ALA H H 1 7.890310727 0.002265754497 . . . . . . . 90 ALA H . 51632 1
428 . 1 . 1 90 90 ALA C C 13 179.1248721 0.001299950099 . . . . . . . 90 ALA C . 51632 1
429 . 1 . 1 90 90 ALA CA C 13 54.01370858 0.02721548164 . . . . . . . 90 ALA CA . 51632 1
430 . 1 . 1 90 90 ALA CB C 13 18.67182395 . . . . . . . . 90 ALA CB . 51632 1
431 . 1 . 1 90 90 ALA N N 15 119.706251 0.01766405027 . . . . . . . 90 ALA N . 51632 1
432 . 1 . 1 91 91 ALA H H 1 7.874339099 0.002863716751 . . . . . . . 91 ALA H . 51632 1
433 . 1 . 1 91 91 ALA C C 13 178.4917985 0.008115164603 . . . . . . . 91 ALA C . 51632 1
434 . 1 . 1 91 91 ALA CA C 13 53.8886673 0.05831006359 . . . . . . . 91 ALA CA . 51632 1
435 . 1 . 1 91 91 ALA CB C 13 19.06764938 0.02203981808 . . . . . . . 91 ALA CB . 51632 1
436 . 1 . 1 91 91 ALA N N 15 120.2173688 0.01136876077 . . . . . . . 91 ALA N . 51632 1
437 . 1 . 1 92 92 THR H H 1 7.769925043 0.003034835338 . . . . . . . 92 THR H . 51632 1
438 . 1 . 1 92 92 THR C C 13 175.7237886 0.007564592049 . . . . . . . 92 THR C . 51632 1
439 . 1 . 1 92 92 THR CA C 13 63.26037701 0.05208231877 . . . . . . . 92 THR CA . 51632 1
440 . 1 . 1 92 92 THR CB C 13 69.78759897 . . . . . . . . 92 THR CB . 51632 1
441 . 1 . 1 92 92 THR N N 15 107.8758577 0.01035796638 . . . . . . . 92 THR N . 51632 1
442 . 1 . 1 93 93 GLY H H 1 7.92749567 0.003455293487 . . . . . . . 93 GLY H . 51632 1
443 . 1 . 1 93 93 GLY C C 13 174.4741135 0.004185937637 . . . . . . . 93 GLY C . 51632 1
444 . 1 . 1 93 93 GLY CA C 13 45.95330097 0.06040411744 . . . . . . . 93 GLY CA . 51632 1
445 . 1 . 1 93 93 GLY N N 15 108.8810698 0.03236519526 . . . . . . . 93 GLY N . 51632 1
446 . 1 . 1 94 94 PHE H H 1 7.789179927 0.001549021338 . . . . . . . 94 PHE H . 51632 1
447 . 1 . 1 94 94 PHE C C 13 175.5229943 0.009299065389 . . . . . . . 94 PHE C . 51632 1
448 . 1 . 1 94 94 PHE CA C 13 58.99825705 0.03884334836 . . . . . . . 94 PHE CA . 51632 1
449 . 1 . 1 94 94 PHE CB C 13 39.76990936 0.03902894508 . . . . . . . 94 PHE CB . 51632 1
450 . 1 . 1 94 94 PHE N N 15 119.3881357 0.009693856572 . . . . . . . 94 PHE N . 51632 1
451 . 1 . 1 95 95 VAL H H 1 7.470566614 0.001805190344 . . . . . . . 95 VAL H . 51632 1
452 . 1 . 1 95 95 VAL C C 13 175.4135885 0.006923906464 . . . . . . . 95 VAL C . 51632 1
453 . 1 . 1 95 95 VAL CA C 13 62.27813819 . . . . . . . . 95 VAL CA . 51632 1
454 . 1 . 1 95 95 VAL CB C 13 32.78764993 0.01333414711 . . . . . . . 95 VAL CB . 51632 1
455 . 1 . 1 95 95 VAL N N 15 118.4429695 0.09302057433 . . . . . . . 95 VAL N . 51632 1
456 . 1 . 1 96 96 LYS H H 1 7.904580332 0.003677124212 . . . . . . . 96 LYS H . 51632 1
457 . 1 . 1 96 96 LYS C C 13 176.7853914 0.004161110875 . . . . . . . 96 LYS C . 51632 1
458 . 1 . 1 96 96 LYS CA C 13 56.27991296 0.04548848837 . . . . . . . 96 LYS CA . 51632 1
459 . 1 . 1 96 96 LYS CB C 13 32.73210626 0.03077948146 . . . . . . . 96 LYS CB . 51632 1
460 . 1 . 1 96 96 LYS N N 15 122.6747646 0.03551570631 . . . . . . . 96 LYS N . 51632 1
461 . 1 . 1 97 97 LYS H H 1 7.986829783 0.002610994012 . . . . . . . 97 LYS H . 51632 1
462 . 1 . 1 97 97 LYS C C 13 176.6441125 0.004400918792 . . . . . . . 97 LYS C . 51632 1
463 . 1 . 1 97 97 LYS CA C 13 57.27150526 0.03724501012 . . . . . . . 97 LYS CA . 51632 1
464 . 1 . 1 97 97 LYS CB C 13 32.77272449 0.02475336594 . . . . . . . 97 LYS CB . 51632 1
465 . 1 . 1 97 97 LYS N N 15 121.3040025 0.02755865042 . . . . . . . 97 LYS N . 51632 1
466 . 1 . 1 98 98 ASP H H 1 8.202516758 0.002796551556 . . . . . . . 98 ASP H . 51632 1
467 . 1 . 1 98 98 ASP C C 13 176.4922425 0.005150014733 . . . . . . . 98 ASP C . 51632 1
468 . 1 . 1 98 98 ASP CA C 13 54.9252128 0.03590194548 . . . . . . . 98 ASP CA . 51632 1
469 . 1 . 1 98 98 ASP CB C 13 40.88873387 0.01008197147 . . . . . . . 98 ASP CB . 51632 1
470 . 1 . 1 98 98 ASP N N 15 119.2511682 0.02139782592 . . . . . . . 98 ASP N . 51632 1
471 . 1 . 1 99 99 GLN H H 1 8.05597223 0.004727181014 . . . . . . . 99 GLN H . 51632 1
472 . 1 . 1 99 99 GLN C C 13 176.0081243 0.02620968076 . . . . . . . 99 GLN C . 51632 1
473 . 1 . 1 99 99 GLN CA C 13 56.03341991 0.09459382401 . . . . . . . 99 GLN CA . 51632 1
474 . 1 . 1 99 99 GLN CB C 13 29.54790294 0.0123167337 . . . . . . . 99 GLN CB . 51632 1
475 . 1 . 1 99 99 GLN N N 15 118.5217554 0.04209041076 . . . . . . . 99 GLN N . 51632 1
476 . 1 . 1 100 100 LEU H H 1 7.919629429 0.001870075006 . . . . . . . 100 LEU H . 51632 1
477 . 1 . 1 100 100 LEU C C 13 177.6062213 0.005318319059 . . . . . . . 100 LEU C . 51632 1
478 . 1 . 1 100 100 LEU CA C 13 55.43069517 0.05205581776 . . . . . . . 100 LEU CA . 51632 1
479 . 1 . 1 100 100 LEU CB C 13 42.37503245 0.07269768571 . . . . . . . 100 LEU CB . 51632 1
480 . 1 . 1 100 100 LEU N N 15 121.1297601 0.03138102962 . . . . . . . 100 LEU N . 51632 1
481 . 1 . 1 101 101 GLY H H 1 8.202009668 0.007756651005 . . . . . . . 101 GLY H . 51632 1
482 . 1 . 1 101 101 GLY C C 13 173.4014667 0.003591901099 . . . . . . . 101 GLY C . 51632 1
483 . 1 . 1 101 101 GLY CA C 13 45.55784461 0.09472628643 . . . . . . . 101 GLY CA . 51632 1
484 . 1 . 1 101 101 GLY N N 15 109.3423563 0.03260069105 . . . . . . . 101 GLY N . 51632 1
485 . 1 . 1 102 102 LYS H H 1 7.607027089 0.002290044443 . . . . . . . 102 LYS H . 51632 1
486 . 1 . 1 102 102 LYS C C 13 181.4069477 . . . . . . . . 102 LYS C . 51632 1
487 . 1 . 1 102 102 LYS CA C 13 57.3415376 0.02812595361 . . . . . . . 102 LYS CA . 51632 1
488 . 1 . 1 102 102 LYS CB C 13 33.71790895 . . . . . . . . 102 LYS CB . 51632 1
489 . 1 . 1 102 102 LYS N N 15 125.5167704 0.0173349323 . . . . . . . 102 LYS N . 51632 1
stop_
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