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 52533
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'DnaA domain IV from Bacillus subtilis backbone NMR assignment'
_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' . . . 52533 1
2 '3D HNCACB' . . . 52533 1
3 '3D CBCA(CO)NH' . . . 52533 1
4 '3D HNCO' . . . 52533 1
5 '3D HNCACO' . . . 52533 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
3 $software_3 . . 52533 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 3 3 ASN H H 1 8.575173623 0.0008019561726 . . . . . . . 330 ASN H . 52533 1
2 . 1 . 1 3 3 ASN C C 13 175.0169894 . . . . . . . . 330 ASN C . 52533 1
3 . 1 . 1 3 3 ASN CA C 13 53.0034611 0 . . . . . . . 330 ASN CA . 52533 1
4 . 1 . 1 3 3 ASN CB C 13 38.90327145 . . . . . . . . 330 ASN CB . 52533 1
5 . 1 . 1 3 3 ASN N N 15 123.6989502 0.08950531385 . . . . . . . 330 ASN N . 52533 1
6 . 1 . 1 4 4 LYS H H 1 8.371500288 0.001142112382 . . . . . . . 331 LYS H . 52533 1
7 . 1 . 1 4 4 LYS C C 13 176.0087992 0.01050990047 . . . . . . . 331 LYS C . 52533 1
8 . 1 . 1 4 4 LYS CA C 13 56.63224858 0.02744552 . . . . . . . 331 LYS CA . 52533 1
9 . 1 . 1 4 4 LYS CB C 13 36.79500381 2.68103783 . . . . . . . 331 LYS CB . 52533 1
10 . 1 . 1 4 4 LYS N N 15 122.5257127 0.01543740751 . . . . . . . 331 LYS N . 52533 1
11 . 1 . 1 5 5 ASP H H 1 8.369872924 0.01081123593 . . . . . . . 332 ASP H . 52533 1
12 . 1 . 1 5 5 ASP C C 13 176.4308951 0.0007044497236 . . . . . . . 332 ASP C . 52533 1
13 . 1 . 1 5 5 ASP CA C 13 54.42863284 0.04164525855 . . . . . . . 332 ASP CA . 52533 1
14 . 1 . 1 5 5 ASP CB C 13 41.09596844 0.01807119841 . . . . . . . 332 ASP CB . 52533 1
15 . 1 . 1 5 5 ASP N N 15 121.616977 0.09358456546 . . . . . . . 332 ASP N . 52533 1
16 . 1 . 1 6 6 ILE H H 1 8.024108867 0.01921187687 . . . . . . . 333 ILE H . 52533 1
17 . 1 . 1 6 6 ILE C C 13 176.0750526 0.02254750007 . . . . . . . 333 ILE C . 52533 1
18 . 1 . 1 6 6 ILE CA C 13 61.662077699 . . . . . . . . 333 ILE CA . 52533 1
19 . 1 . 1 6 6 ILE CB C 13 38.68357225 0.12702056 . . . . . . . 333 ILE CB . 52533 1
20 . 1 . 1 6 6 ILE N N 15 120.9156533 0.1011819805 . . . . . . . 333 ILE N . 52533 1
21 . 1 . 1 7 7 ASN H H 1 8.419518494 0.001277381595 . . . . . . . 334 ASN H . 52533 1
22 . 1 . 1 7 7 ASN C C 13 175.3524047 . . . . . . . . 334 ASN C . 52533 1
23 . 1 . 1 7 7 ASN CA C 13 53.62471638 . . . . . . . . 334 ASN CA . 52533 1
24 . 1 . 1 7 7 ASN CB C 13 38.67312929 . . . . . . . . 334 ASN CB . 52533 1
25 . 1 . 1 7 7 ASN N N 15 121.6911747 0.0869674988 . . . . . . . 334 ASN N . 52533 1
26 . 1 . 1 8 8 ALA H H 1 8.169142325 0.000773747709 . . . . . . . 335 ALA H . 52533 1
27 . 1 . 1 8 8 ALA C C 13 177.8686936 . . . . . . . . 335 ALA C . 52533 1
28 . 1 . 1 8 8 ALA CA C 13 53.35145898 . . . . . . . . 335 ALA CA . 52533 1
29 . 1 . 1 8 8 ALA CB C 13 19.18616648 . . . . . . . . 335 ALA CB . 52533 1
30 . 1 . 1 8 8 ALA N N 15 124.668713 0.01221606323 . . . . . . . 335 ALA N . 52533 1
31 . 1 . 1 9 9 ASP H H 1 8.271174333 0.003112636665 . . . . . . . 336 ASP H . 52533 1
32 . 1 . 1 9 9 ASP C C 13 176.7763984 . . . . . . . . 336 ASP C . 52533 1
33 . 1 . 1 9 9 ASP CA C 13 54.79286726 . . . . . . . . 336 ASP CA . 52533 1
34 . 1 . 1 9 9 ASP CB C 13 40.74220955 . . . . . . . . 336 ASP CB . 52533 1
35 . 1 . 1 9 9 ASP N N 15 119.2290948 0.0713583389 . . . . . . . 336 ASP N . 52533 1
36 . 1 . 1 10 10 LEU H H 1 8.017562594 0.0002280512033 . . . . . . . 337 LEU H . 52533 1
37 . 1 . 1 10 10 LEU C C 13 177.9657112 . . . . . . . . 337 LEU C . 52533 1
38 . 1 . 1 10 10 LEU CA C 13 55.88073888 . . . . . . . . 337 LEU CA . 52533 1
39 . 1 . 1 10 10 LEU CB C 13 42.05366526 . . . . . . . . 337 LEU CB . 52533 1
40 . 1 . 1 10 10 LEU N N 15 122.3281426 0.004285320446 . . . . . . . 337 LEU N . 52533 1
41 . 1 . 1 11 11 ALA H H 1 8.150688785 0.0002989758525 . . . . . . . 338 ALA H . 52533 1
42 . 1 . 1 11 11 ALA C C 13 178.241696 . . . . . . . . 338 ALA C . 52533 1
43 . 1 . 1 11 11 ALA CA C 13 53.16044166 . . . . . . . . 338 ALA CA . 52533 1
44 . 1 . 1 11 11 ALA CB C 13 18.77061934 . . . . . . . . 338 ALA CB . 52533 1
45 . 1 . 1 11 11 ALA N N 15 123.8326982 0.004211289941 . . . . . . . 338 ALA N . 52533 1
46 . 1 . 1 12 12 ALA H H 1 8.020911837 0.0003898389106 . . . . . . . 339 ALA H . 52533 1
47 . 1 . 1 12 12 ALA C C 13 178.9403305 . . . . . . . . 339 ALA C . 52533 1
48 . 1 . 1 12 12 ALA CA C 13 53.30140733 . . . . . . . . 339 ALA CA . 52533 1
49 . 1 . 1 12 12 ALA CB C 13 18.84506241 . . . . . . . . 339 ALA CB . 52533 1
50 . 1 . 1 12 12 ALA N N 15 122.1655307 0.007402510963 . . . . . . . 339 ALA N . 52533 1
51 . 1 . 1 13 13 GLU H H 1 8.213575851 0.000144774713 . . . . . . . 340 GLU H . 52533 1
52 . 1 . 1 13 13 GLU C C 13 176.9728054 . . . . . . . . 340 GLU C . 52533 1
53 . 1 . 1 13 13 GLU CA C 13 57.29076197 . . . . . . . . 340 GLU CA . 52533 1
54 . 1 . 1 13 13 GLU CB C 13 29.81392023 . . . . . . . . 340 GLU CB . 52533 1
55 . 1 . 1 13 13 GLU N N 15 119.2610194 0.03138330001 . . . . . . . 340 GLU N . 52533 1
56 . 1 . 1 14 14 ALA H H 1 8.030915321 0.0005301025597 . . . . . . . 341 ALA H . 52533 1
57 . 1 . 1 14 14 ALA C C 13 178.1264623 . . . . . . . . 341 ALA C . 52533 1
58 . 1 . 1 14 14 ALA CA C 13 52.9671565 . . . . . . . . 341 ALA CA . 52533 1
59 . 1 . 1 14 14 ALA CB C 13 18.9340844 . . . . . . . . 341 ALA CB . 52533 1
60 . 1 . 1 14 14 ALA N N 15 123.3521898 0.00780311175 . . . . . . . 341 ALA N . 52533 1
61 . 1 . 1 15 15 LEU H H 1 7.920554204 0.000317555972 . . . . . . . 342 LEU H . 52533 1
62 . 1 . 1 15 15 LEU C C 13 177.6292094 . . . . . . . . 342 LEU C . 52533 1
63 . 1 . 1 15 15 LEU CA C 13 55.41734094 . . . . . . . . 342 LEU CA . 52533 1
64 . 1 . 1 15 15 LEU CB C 13 41.99115691 . . . . . . . . 342 LEU CB . 52533 1
65 . 1 . 1 15 15 LEU N N 15 119.9312473 0.01056774002 . . . . . . . 342 LEU N . 52533 1
66 . 1 . 1 16 16 LYS H H 1 7.947435827 0.0009246578681 . . . . . . . 343 LYS H . 52533 1
67 . 1 . 1 16 16 LYS C C 13 176.316373 . . . . . . . . 343 LYS C . 52533 1
68 . 1 . 1 16 16 LYS CA C 13 56.66628829 . . . . . . . . 343 LYS CA . 52533 1
69 . 1 . 1 16 16 LYS CB C 13 32.93628861 . . . . . . . . 343 LYS CB . 52533 1
70 . 1 . 1 16 16 LYS N N 15 120.7795794 0.0353433899 . . . . . . . 343 LYS N . 52533 1
71 . 1 . 1 17 17 ASP H H 1 8.165031277 0.00207670711 . . . . . . . 344 ASP H . 52533 1
72 . 1 . 1 17 17 ASP C C 13 175.7693981 . . . . . . . . 344 ASP C . 52533 1
73 . 1 . 1 17 17 ASP CA C 13 54.48063043 . . . . . . . . 344 ASP CA . 52533 1
74 . 1 . 1 17 17 ASP CB C 13 41.05444639 . . . . . . . . 344 ASP CB . 52533 1
75 . 1 . 1 17 17 ASP N N 15 120.3602943 0.01477992013 . . . . . . . 344 ASP N . 52533 1
76 . 1 . 1 18 18 ILE H H 1 7.928685211 0.001541497849 . . . . . . . 345 ILE H . 52533 1
77 . 1 . 1 18 18 ILE C C 13 176.0903751 . . . . . . . . 345 ILE C . 52533 1
78 . 1 . 1 18 18 ILE CA C 13 61.03760402 . . . . . . . . 345 ILE CA . 52533 1
79 . 1 . 1 18 18 ILE CB C 13 38.53108251 0.02546918501 . . . . . . . 345 ILE CB . 52533 1
80 . 1 . 1 18 18 ILE N N 15 120.3659457 0.001449641427 . . . . . . . 345 ILE N . 52533 1
81 . 1 . 1 19 19 ILE H H 1 8.26268891 0.0005928217082 . . . . . . . 346 ILE H . 52533 1
82 . 1 . 1 19 19 ILE C C 13 174.6306461 . . . . . . . . 346 ILE C . 52533 1
83 . 1 . 1 19 19 ILE CA C 13 58.55615349 . . . . . . . . 346 ILE CA . 52533 1
84 . 1 . 1 19 19 ILE CB C 13 38.42897176 . . . . . . . . 346 ILE CB . 52533 1
85 . 1 . 1 19 19 ILE N N 15 127.0470321 0.005511842205 . . . . . . . 346 ILE N . 52533 1
86 . 1 . 1 21 21 SER H H 1 8.404572207 0.0005424213013 . . . . . . . 348 SER H . 52533 1
87 . 1 . 1 21 21 SER C C 13 174.6753914 . . . . . . . . 348 SER C . 52533 1
88 . 1 . 1 21 21 SER CA C 13 58.53970932 . . . . . . . . 348 SER CA . 52533 1
89 . 1 . 1 21 21 SER CB C 13 63.84773556 . . . . . . . . 348 SER CB . 52533 1
90 . 1 . 1 21 21 SER N N 15 115.9974655 0.02161886998 . . . . . . . 348 SER N . 52533 1
91 . 1 . 1 22 22 SER H H 1 8.334112746 0.002658413552 . . . . . . . 349 SER H . 52533 1
92 . 1 . 1 22 22 SER C C 13 173.209845 . . . . . . . . 349 SER C . 52533 1
93 . 1 . 1 22 22 SER CA C 13 58.49134115 . . . . . . . . 349 SER CA . 52533 1
94 . 1 . 1 22 22 SER CB C 13 63.95197052 . . . . . . . . 349 SER CB . 52533 1
95 . 1 . 1 22 22 SER N N 15 118.01614 0.0198025149 . . . . . . . 349 SER N . 52533 1
96 . 1 . 1 23 23 LYS H H 1 8.108710921 0.001653781619 . . . . . . . 350 LYS H . 52533 1
97 . 1 . 1 23 23 LYS C C 13 174.3955775 . . . . . . . . 350 LYS C . 52533 1
98 . 1 . 1 23 23 LYS CA C 13 53.86423725 . . . . . . . . 350 LYS CA . 52533 1
99 . 1 . 1 23 23 LYS CB C 13 33.96304798 . . . . . . . . 350 LYS CB . 52533 1
100 . 1 . 1 23 23 LYS N N 15 122.1024706 0.03374325112 . . . . . . . 350 LYS N . 52533 1
101 . 1 . 1 25 25 LYS H H 1 8.436340688 0.0002184353041 . . . . . . . 352 LYS H . 52533 1
102 . 1 . 1 25 25 LYS C C 13 176.3245139 0.006605500254 . . . . . . . 352 LYS C . 52533 1
103 . 1 . 1 25 25 LYS CA C 13 56.50674668 . . . . . . . . 352 LYS CA . 52533 1
104 . 1 . 1 25 25 LYS CB C 13 33.24279869 . . . . . . . . 352 LYS CB . 52533 1
105 . 1 . 1 25 25 LYS N N 15 122.8095778 0.01642114378 . . . . . . . 352 LYS N . 52533 1
106 . 1 . 1 26 26 VAL H H 1 8.305352494 0.0007007893876 . . . . . . . 353 VAL H . 52533 1
107 . 1 . 1 26 26 VAL C C 13 175.6967711 . . . . . . . . 353 VAL C . 52533 1
108 . 1 . 1 26 26 VAL CA C 13 62.31998763 . . . . . . . . 353 VAL CA . 52533 1
109 . 1 . 1 26 26 VAL CB C 13 32.88511942 . . . . . . . . 353 VAL CB . 52533 1
110 . 1 . 1 26 26 VAL N N 15 124.3791122 0.01504553458 . . . . . . . 353 VAL N . 52533 1
111 . 1 . 1 27 27 ILE H H 1 8.597247848 0.0005658847271 . . . . . . . 354 ILE H . 52533 1
112 . 1 . 1 27 27 ILE C C 13 175.2034237 . . . . . . . . 354 ILE C . 52533 1
113 . 1 . 1 27 27 ILE CA C 13 60.7923445 . . . . . . . . 354 ILE CA . 52533 1
114 . 1 . 1 27 27 ILE CB C 13 38.00387209 . . . . . . . . 354 ILE CB . 52533 1
115 . 1 . 1 27 27 ILE N N 15 128.3794252 0.006156963043 . . . . . . . 354 ILE N . 52533 1
116 . 1 . 1 28 28 THR H H 1 7.443758773 0.0009096842335 . . . . . . . 355 THR H . 52533 1
117 . 1 . 1 28 28 THR C C 13 175.0141051 . . . . . . . . 355 THR C . 52533 1
118 . 1 . 1 28 28 THR CA C 13 58.89920619 . . . . . . . . 355 THR CA . 52533 1
119 . 1 . 1 28 28 THR CB C 13 71.94085428 . . . . . . . . 355 THR CB . 52533 1
120 . 1 . 1 28 28 THR N N 15 114.7713713 0.005730791244 . . . . . . . 355 THR N . 52533 1
121 . 1 . 1 29 29 ILE H H 1 8.669720853 0.0007728961753 . . . . . . . 356 ILE H . 52533 1
122 . 1 . 1 29 29 ILE C C 13 177.688576 . . . . . . . . 356 ILE C . 52533 1
123 . 1 . 1 29 29 ILE CA C 13 65.72115659 . . . . . . . . 356 ILE CA . 52533 1
124 . 1 . 1 29 29 ILE CB C 13 37.61984118 . . . . . . . . 356 ILE CB . 52533 1
125 . 1 . 1 29 29 ILE N N 15 121.4770497 0.03621008294 . . . . . . . 356 ILE N . 52533 1
126 . 1 . 1 30 30 LYS H H 1 8.28413788 0.00157395697 . . . . . . . 357 LYS H . 52533 1
127 . 1 . 1 30 30 LYS C C 13 178.7251332 0 . . . . . . . 357 LYS C . 52533 1
128 . 1 . 1 30 30 LYS CA C 13 59.81223673 . . . . . . . . 357 LYS CA . 52533 1
129 . 1 . 1 30 30 LYS CB C 13 32.07386572 . . . . . . . . 357 LYS CB . 52533 1
130 . 1 . 1 30 30 LYS N N 15 119.2911989 0.01654403364 . . . . . . . 357 LYS N . 52533 1
131 . 1 . 1 31 31 GLU H H 1 7.61402754 0.0001266855466 . . . . . . . 358 GLU H . 52533 1
132 . 1 . 1 31 31 GLU C C 13 178.395014 . . . . . . . . 358 GLU C . 52533 1
133 . 1 . 1 31 31 GLU CA C 13 58.84592124 0.008520518868 . . . . . . . 358 GLU CA . 52533 1
134 . 1 . 1 31 31 GLU CB C 13 29.81392023 . . . . . . . . 358 GLU CB . 52533 1
135 . 1 . 1 31 31 GLU N N 15 120.1411375 0.01600581003 . . . . . . . 358 GLU N . 52533 1
136 . 1 . 1 32 32 ILE H H 1 7.709243764 0.003195835213 . . . . . . . 359 ILE H . 52533 1
137 . 1 . 1 32 32 ILE C C 13 177.9574114 . . . . . . . . 359 ILE C . 52533 1
138 . 1 . 1 32 32 ILE CA C 13 66.34563027 . . . . . . . . 359 ILE CA . 52533 1
139 . 1 . 1 32 32 ILE CB C 13 37.93207801 . . . . . . . . 359 ILE CB . 52533 1
140 . 1 . 1 32 32 ILE N N 15 119.707808 0.003505980478 . . . . . . . 359 ILE N . 52533 1
141 . 1 . 1 33 33 GLN H H 1 8.607839471 0.001402139365 . . . . . . . 360 GLN H . 52533 1
142 . 1 . 1 33 33 GLN C C 13 177.7313463 . . . . . . . . 360 GLN C . 52533 1
143 . 1 . 1 33 33 GLN CA C 13 59.78865667 . . . . . . . . 360 GLN CA . 52533 1
144 . 1 . 1 33 33 GLN CB C 13 27.62826236 . . . . . . . . 360 GLN CB . 52533 1
145 . 1 . 1 33 33 GLN N N 15 117.0821097 0.005669640412 . . . . . . . 360 GLN N . 52533 1
146 . 1 . 1 34 34 ARG H H 1 8.262513739 0.001299492674 . . . . . . . 361 ARG H . 52533 1
147 . 1 . 1 34 34 ARG C C 13 179.6223762 . . . . . . . . 361 ARG C . 52533 1
148 . 1 . 1 34 34 ARG CA C 13 60.03641852 . . . . . . . . 361 ARG CA . 52533 1
149 . 1 . 1 34 34 ARG CB C 13 29.9579444 . . . . . . . . 361 ARG CB . 52533 1
150 . 1 . 1 34 34 ARG N N 15 119.3746324 0.06535198124 . . . . . . . 361 ARG N . 52533 1
151 . 1 . 1 35 35 VAL H H 1 8.336267138 0.0000207 . . . . . . . 362 VAL H . 52533 1
152 . 1 . 1 35 35 VAL C C 13 179.051418 . . . . . . . . 362 VAL C . 52533 1
153 . 1 . 1 35 35 VAL CA C 13 66.97010394 . . . . . . . . 362 VAL CA . 52533 1
154 . 1 . 1 35 35 VAL CB C 13 31.99957809 . . . . . . . . 362 VAL CB . 52533 1
155 . 1 . 1 35 35 VAL N N 15 119.2627983 0.02604659995 . . . . . . . 362 VAL N . 52533 1
156 . 1 . 1 36 36 VAL H H 1 9.072232759 0.0004123204972 . . . . . . . 363 VAL H . 52533 1
157 . 1 . 1 36 36 VAL C C 13 178.2856134 . . . . . . . . 363 VAL C . 52533 1
158 . 1 . 1 36 36 VAL CA C 13 67.90681446 . . . . . . . . 363 VAL CA . 52533 1
159 . 1 . 1 36 36 VAL CB C 13 31.06286758 . . . . . . . . 363 VAL CB . 52533 1
160 . 1 . 1 36 36 VAL N N 15 121.6741643 0.009379419531 . . . . . . . 363 VAL N . 52533 1
161 . 1 . 1 37 37 GLY H H 1 8.97752176 0.000982289009 . . . . . . . 364 GLY H . 52533 1
162 . 1 . 1 37 37 GLY C C 13 176.0697758 . . . . . . . . 364 GLY C . 52533 1
163 . 1 . 1 37 37 GLY CA C 13 48.07576842 . . . . . . . . 364 GLY CA . 52533 1
164 . 1 . 1 37 37 GLY N N 15 108.301945 0.01256249856 . . . . . . . 364 GLY N . 52533 1
165 . 1 . 1 38 38 GLN H H 1 8.11826275 0.00005896 . . . . . . . 365 GLN H . 52533 1
166 . 1 . 1 38 38 GLN C C 13 178.723216 . . . . . . . . 365 GLN C . 52533 1
167 . 1 . 1 38 38 GLN CA C 13 58.53970932 . . . . . . . . 365 GLN CA . 52533 1
168 . 1 . 1 38 38 GLN CB C 13 28.87720971 . . . . . . . . 365 GLN CB . 52533 1
169 . 1 . 1 38 38 GLN N N 15 120.8088941 0.01634270664 . . . . . . . 365 GLN N . 52533 1
170 . 1 . 1 39 39 GLN H H 1 8.181780149 0.001333958534 . . . . . . . 366 GLN H . 52533 1
171 . 1 . 1 39 39 GLN C C 13 176.9769342 . . . . . . . . 366 GLN C . 52533 1
172 . 1 . 1 39 39 GLN CA C 13 58.22747248 . . . . . . . . 366 GLN CA . 52533 1
173 . 1 . 1 39 39 GLN CB C 13 27.47211126 . . . . . . . . 366 GLN CB . 52533 1
174 . 1 . 1 39 39 GLN N N 15 120.1131756 0.03802273446 . . . . . . . 366 GLN N . 52533 1
175 . 1 . 1 40 40 PHE H H 1 7.685967138 0.00152864781 . . . . . . . 367 PHE H . 52533 1
176 . 1 . 1 40 40 PHE C C 13 173.8154295 . . . . . . . . 367 PHE C . 52533 1
177 . 1 . 1 40 40 PHE CA C 13 58.23719653 . . . . . . . . 367 PHE CA . 52533 1
178 . 1 . 1 40 40 PHE CB C 13 39.91771154 . . . . . . . . 367 PHE CB . 52533 1
179 . 1 . 1 40 40 PHE N N 15 112.1226368 0.004386734337 . . . . . . . 367 PHE N . 52533 1
180 . 1 . 1 41 41 ASN H H 1 7.892356146 0.003766960995 . . . . . . . 368 ASN H . 52533 1
181 . 1 . 1 41 41 ASN C C 13 174.1283881 . . . . . . . . 368 ASN C . 52533 1
182 . 1 . 1 41 41 ASN CA C 13 54.48063043 . . . . . . . . 368 ASN CA . 52533 1
183 . 1 . 1 41 41 ASN CB C 13 36.9953675 . . . . . . . . 368 ASN CB . 52533 1
184 . 1 . 1 41 41 ASN N N 15 119.2723937 0.002739689709 . . . . . . . 368 ASN N . 52533 1
185 . 1 . 1 42 42 ILE H H 1 8.745586979 0.002133332795 . . . . . . . 369 ILE H . 52533 1
186 . 1 . 1 42 42 ILE C C 13 175.5505967 . . . . . . . . 369 ILE C . 52533 1
187 . 1 . 1 42 42 ILE CA C 13 58.85194616 . . . . . . . . 369 ILE CA . 52533 1
188 . 1 . 1 42 42 ILE CB C 13 40.42997272 . . . . . . . . 369 ILE CB . 52533 1
189 . 1 . 1 42 42 ILE N N 15 116.458062 0.06765746717 . . . . . . . 369 ILE N . 52533 1
190 . 1 . 1 43 43 LYS H H 1 8.658377551 0.0007006519275 . . . . . . . 370 LYS H . 52533 1
191 . 1 . 1 43 43 LYS C C 13 178.0829298 . . . . . . . . 370 LYS C . 52533 1
192 . 1 . 1 43 43 LYS CA C 13 55.78298621 . . . . . . . . 370 LYS CA . 52533 1
193 . 1 . 1 43 43 LYS CB C 13 33.13220369 . . . . . . . . 370 LYS CB . 52533 1
194 . 1 . 1 43 43 LYS N N 15 124.2682515 0.008689995916 . . . . . . . 370 LYS N . 52533 1
195 . 1 . 1 44 44 LEU H H 1 8.590586132 0.000678894434 . . . . . . . 371 LEU H . 52533 1
196 . 1 . 1 44 44 LEU C C 13 180.2121913 . . . . . . . . 371 LEU C . 52533 1
197 . 1 . 1 44 44 LEU CA C 13 59.00247599 . . . . . . . . 371 LEU CA . 52533 1
198 . 1 . 1 44 44 LEU CB C 13 41.661473 . . . . . . . . 371 LEU CB . 52533 1
199 . 1 . 1 44 44 LEU N N 15 124.2199762 0.01124997282 . . . . . . . 371 LEU N . 52533 1
200 . 1 . 1 45 45 GLU H H 1 9.299095863 0.0005398489122 . . . . . . . 372 GLU H . 52533 1
201 . 1 . 1 45 45 GLU C C 13 178.9311336 . . . . . . . . 372 GLU C . 52533 1
202 . 1 . 1 45 45 GLU CA C 13 59.45076675 . . . . . . . . 372 GLU CA . 52533 1
203 . 1 . 1 45 45 GLU CB C 13 28.70416592 . . . . . . . . 372 GLU CB . 52533 1
204 . 1 . 1 45 45 GLU N N 15 115.9939672 0.006669967898 . . . . . . . 372 GLU N . 52533 1
205 . 1 . 1 46 46 ASP H H 1 7.819330604 0.00121067293 . . . . . . . 373 ASP H . 52533 1
206 . 1 . 1 46 46 ASP C C 13 178.7037131 . . . . . . . . 373 ASP C . 52533 1
207 . 1 . 1 46 46 ASP CA C 13 56.97852513 . . . . . . . . 373 ASP CA . 52533 1
208 . 1 . 1 46 46 ASP CB C 13 40.11773588 . . . . . . . . 373 ASP CB . 52533 1
209 . 1 . 1 46 46 ASP N N 15 119.7421834 0.04084919632 . . . . . . . 373 ASP N . 52533 1
210 . 1 . 1 47 47 PHE H H 1 7.643903703 0.000691095764 . . . . . . . 374 PHE H . 52533 1
211 . 1 . 1 47 47 PHE C C 13 176.5071037 . . . . . . . . 374 PHE C . 52533 1
212 . 1 . 1 47 47 PHE CA C 13 61.95326531 . . . . . . . . 374 PHE CA . 52533 1
213 . 1 . 1 47 47 PHE CB C 13 38.69921557 . . . . . . . . 374 PHE CB . 52533 1
214 . 1 . 1 47 47 PHE N N 15 115.5667117 0.01142750062 . . . . . . . 374 PHE N . 52533 1
215 . 1 . 1 48 48 LYS H H 1 7.169347694 0.0007314111291 . . . . . . . 375 LYS H . 52533 1
216 . 1 . 1 48 48 LYS C C 13 175.4744288 . . . . . . . . 375 LYS C . 52533 1
217 . 1 . 1 48 48 LYS CA C 13 56.39001332 0.05227757434 . . . . . . . 375 LYS CA . 52533 1
218 . 1 . 1 48 48 LYS CB C 13 33.50312787 . . . . . . . . 375 LYS CB . 52533 1
219 . 1 . 1 48 48 LYS N N 15 114.4598889 0.00616263384 . . . . . . . 375 LYS N . 52533 1
220 . 1 . 1 49 49 ALA H H 1 7.116462362 0.0003366545792 . . . . . . . 376 ALA H . 52533 1
221 . 1 . 1 49 49 ALA C C 13 177.6810047 . . . . . . . . 376 ALA C . 52533 1
222 . 1 . 1 49 49 ALA CA C 13 52.29497256 . . . . . . . . 376 ALA CA . 52533 1
223 . 1 . 1 49 49 ALA CB C 13 20.13457825 . . . . . . . . 376 ALA CB . 52533 1
224 . 1 . 1 49 49 ALA N N 15 121.6746106 0.003795288541 . . . . . . . 376 ALA N . 52533 1
225 . 1 . 1 56 56 VAL H H 1 7.239240137 0.0004457935425 . . . . . . . 383 VAL H . 52533 1
226 . 1 . 1 56 56 VAL C C 13 175.8787987 . . . . . . . . 383 VAL C . 52533 1
227 . 1 . 1 56 56 VAL CA C 13 62.28655137 . . . . . . . . 383 VAL CA . 52533 1
228 . 1 . 1 56 56 VAL CB C 13 32.93628861 . . . . . . . . 383 VAL CB . 52533 1
229 . 1 . 1 56 56 VAL N N 15 116.6497774 0.005736316846 . . . . . . . 383 VAL N . 52533 1
230 . 1 . 1 57 57 ALA H H 1 8.007880351 0.0008158586932 . . . . . . . 384 ALA H . 52533 1
231 . 1 . 1 57 57 ALA C C 13 179.1586031 . . . . . . . . 384 ALA C . 52533 1
232 . 1 . 1 57 57 ALA CA C 13 55.80487366 . . . . . . . . 384 ALA CA . 52533 1
233 . 1 . 1 57 57 ALA CB C 13 18.9425353 0 . . . . . . . 384 ALA CB . 52533 1
234 . 1 . 1 57 57 ALA N N 15 123.4773617 0.06537613173 . . . . . . . 384 ALA N . 52533 1
235 . 1 . 1 58 58 PHE H H 1 8.602141341 0.0006921615135 . . . . . . . 385 PHE H . 52533 1
236 . 1 . 1 58 58 PHE C C 13 174.840315 . . . . . . . . 385 PHE C . 52533 1
237 . 1 . 1 58 58 PHE CA C 13 61.6620777 . . . . . . . . 385 PHE CA . 52533 1
238 . 1 . 1 58 58 PHE CB C 13 36.60661317 . . . . . . . . 385 PHE CB . 52533 1
239 . 1 . 1 58 58 PHE N N 15 117.0658619 0.03792312678 . . . . . . . 385 PHE N . 52533 1
240 . 1 . 1 60 60 ARG H H 1 8.191093154 0.002201845126 . . . . . . . 387 ARG H . 52533 1
241 . 1 . 1 60 60 ARG C C 13 177.9625551 . . . . . . . . 387 ARG C . 52533 1
242 . 1 . 1 60 60 ARG CA C 13 61.03760402 . . . . . . . . 387 ARG CA . 52533 1
243 . 1 . 1 60 60 ARG CB C 13 30.10983483 . . . . . . . . 387 ARG CB . 52533 1
244 . 1 . 1 60 60 ARG N N 15 116.8934537 0.03835798792 . . . . . . . 387 ARG N . 52533 1
245 . 1 . 1 61 61 GLN H H 1 8.257138622 0.001097332505 . . . . . . . 388 GLN H . 52533 1
246 . 1 . 1 61 61 GLN C C 13 178.6338555 . . . . . . . . 388 GLN C . 52533 1
247 . 1 . 1 61 61 GLN CA C 13 60.09300115 . . . . . . . . 388 GLN CA . 52533 1
248 . 1 . 1 61 61 GLN CB C 13 27.47172924 0 . . . . . . . 388 GLN CB . 52533 1
249 . 1 . 1 61 61 GLN N N 15 119.6461465 0.1073577561 . . . . . . . 388 GLN N . 52533 1
250 . 1 . 1 62 62 ILE H H 1 8.112044444 0.001313521642 . . . . . . . 389 ILE H . 52533 1
251 . 1 . 1 62 62 ILE C C 13 177.6530683 . . . . . . . . 389 ILE C . 52533 1
252 . 1 . 1 62 62 ILE CA C 13 66.34563027 . . . . . . . . 389 ILE CA . 52533 1
253 . 1 . 1 62 62 ILE CB C 13 37.61984118 . . . . . . . . 389 ILE CB . 52533 1
254 . 1 . 1 62 62 ILE N N 15 119.7104583 0.002969256369 . . . . . . . 389 ILE N . 52533 1
255 . 1 . 1 63 63 ALA H H 1 8.574603185 0.0002677976395 . . . . . . . 390 ALA H . 52533 1
256 . 1 . 1 63 63 ALA C C 13 180.364226 . . . . . . . . 390 ALA C . 52533 1
257 . 1 . 1 63 63 ALA CA C 13 55.41734094 . . . . . . . . 390 ALA CA . 52533 1
258 . 1 . 1 63 63 ALA CB C 13 18.26115722 . . . . . . . . 390 ALA CB . 52533 1
259 . 1 . 1 63 63 ALA N N 15 120.5743171 0.01930370755 . . . . . . . 390 ALA N . 52533 1
260 . 1 . 1 64 64 MET H H 1 8.516917666 0.0007067279776 . . . . . . . 391 MET H . 52533 1
261 . 1 . 1 64 64 MET C C 13 177.048974 . . . . . . . . 391 MET C . 52533 1
262 . 1 . 1 64 64 MET CA C 13 61.3420035 . . . . . . . . 391 MET CA . 52533 1
263 . 1 . 1 64 64 MET CB C 13 33.66857243 0.1432393548 . . . . . . . 391 MET CB . 52533 1
264 . 1 . 1 64 64 MET N N 15 123.0404365 0.01367278101 . . . . . . . 391 MET N . 52533 1
265 . 1 . 1 65 65 TYR H H 1 8.554717849 0.001072544428 . . . . . . . 392 TYR H . 52533 1
266 . 1 . 1 65 65 TYR C C 13 177.0822061 . . . . . . . . 392 TYR C . 52533 1
267 . 1 . 1 65 65 TYR CA C 13 61.6620777 . . . . . . . . 392 TYR CA . 52533 1
268 . 1 . 1 65 65 TYR CB C 13 37.61984118 . . . . . . . . 392 TYR CB . 52533 1
269 . 1 . 1 65 65 TYR N N 15 120.378104 0.03155695133 . . . . . . . 392 TYR N . 52533 1
270 . 1 . 1 66 66 LEU H H 1 8.764537786 0.002111227246 . . . . . . . 393 LEU H . 52533 1
271 . 1 . 1 66 66 LEU C C 13 178.5097471 0.005332399649 . . . . . . . 393 LEU C . 52533 1
272 . 1 . 1 66 66 LEU CA C 13 57.29076197 . . . . . . . . 393 LEU CA . 52533 1
273 . 1 . 1 66 66 LEU CB C 13 42.30339374 . . . . . . . . 393 LEU CB . 52533 1
274 . 1 . 1 66 66 LEU N N 15 118.6248497 0.02884037993 . . . . . . . 393 LEU N . 52533 1
275 . 1 . 1 67 67 SER H H 1 8.131728189 0.0004574675708 . . . . . . . 394 SER H . 52533 1
276 . 1 . 1 67 67 SER CA C 13 63.22326189 . . . . . . . . 394 SER CA . 52533 1
277 . 1 . 1 67 67 SER CB C 13 63.45927859 0.06193254612 . . . . . . . 394 SER CB . 52533 1
278 . 1 . 1 67 67 SER N N 15 116.5920965 0.04866309764 . . . . . . . 394 SER N . 52533 1
279 . 1 . 1 68 68 ARG H H 1 7.493109254 0.0009078851102 . . . . . . . 395 ARG H . 52533 1
280 . 1 . 1 68 68 ARG C C 13 176.58638 . . . . . . . . 395 ARG C . 52533 1
281 . 1 . 1 68 68 ARG CA C 13 56.91850615 . . . . . . . . 395 ARG CA . 52533 1
282 . 1 . 1 68 68 ARG CB C 13 30.12754473 0 . . . . . . . 395 ARG CB . 52533 1
283 . 1 . 1 68 68 ARG N N 15 122.2271132 0.0324982234 . . . . . . . 395 ARG N . 52533 1
284 . 1 . 1 69 69 GLU H H 1 7.63182477 0.0004792459043 . . . . . . . 396 GLU H . 52533 1
285 . 1 . 1 69 69 GLU C C 13 178.8538221 . . . . . . . . 396 GLU C . 52533 1
286 . 1 . 1 69 69 GLU CA C 13 58.455576 . . . . . . . . 396 GLU CA . 52533 1
287 . 1 . 1 69 69 GLU CB C 13 31.63535022 . . . . . . . . 396 GLU CB . 52533 1
288 . 1 . 1 69 69 GLU N N 15 115.0811145 0.01353246146 . . . . . . . 396 GLU N . 52533 1
289 . 1 . 1 70 70 MET H H 1 8.424730298 0.001492235017 . . . . . . . 397 MET H . 52533 1
290 . 1 . 1 70 70 MET C C 13 175.5143466 . . . . . . . . 397 MET C . 52533 1
291 . 1 . 1 70 70 MET CA C 13 56.56334664 . . . . . . . . 397 MET CA . 52533 1
292 . 1 . 1 70 70 MET CB C 13 35.35173613 . . . . . . . . 397 MET CB . 52533 1
293 . 1 . 1 70 70 MET N N 15 111.2645047 0.01304813227 . . . . . . . 397 MET N . 52533 1
294 . 1 . 1 71 71 THR H H 1 7.211750589 0.001424225384 . . . . . . . 398 THR H . 52533 1
295 . 1 . 1 71 71 THR C C 13 173.1556005 . . . . . . . . 398 THR C . 52533 1
296 . 1 . 1 71 71 THR CA C 13 59.85955982 . . . . . . . . 398 THR CA . 52533 1
297 . 1 . 1 71 71 THR CB C 13 72.50064512 . . . . . . . . 398 THR CB . 52533 1
298 . 1 . 1 71 71 THR N N 15 107.5199439 0.01157198924 . . . . . . . 398 THR N . 52533 1
299 . 1 . 1 72 72 ASP H H 1 8.411059961 0.0004336686005 . . . . . . . 399 ASP H . 52533 1
300 . 1 . 1 72 72 ASP C C 13 176.9764542 0.004576461164 . . . . . . . 399 ASP C . 52533 1
301 . 1 . 1 72 72 ASP CA C 13 52.6072094 . . . . . . . . 399 ASP CA . 52533 1
302 . 1 . 1 72 72 ASP CB C 13 40.11773588 . . . . . . . . 399 ASP CB . 52533 1
303 . 1 . 1 72 72 ASP N N 15 119.0481474 0.01375503017 . . . . . . . 399 ASP N . 52533 1
304 . 1 . 1 73 73 SER H H 1 7.83797598 0.00115219542 . . . . . . . 400 SER H . 52533 1
305 . 1 . 1 73 73 SER C C 13 173.4121736 . . . . . . . . 400 SER C . 52533 1
306 . 1 . 1 73 73 SER CA C 13 60.10089351 . . . . . . . . 400 SER CA . 52533 1
307 . 1 . 1 73 73 SER CB C 13 64.78444608 . . . . . . . . 400 SER CB . 52533 1
308 . 1 . 1 73 73 SER N N 15 116.0042243 0.01745171473 . . . . . . . 400 SER N . 52533 1
309 . 1 . 1 74 74 SER H H 1 8.691220373 0.002180370859 . . . . . . . 401 SER H . 52533 1
310 . 1 . 1 74 74 SER C C 13 174.0189874 . . . . . . . . 401 SER C . 52533 1
311 . 1 . 1 74 74 SER CA C 13 57.29076197 . . . . . . . . 401 SER CA . 52533 1
312 . 1 . 1 74 74 SER CB C 13 64.47220924 . . . . . . . . 401 SER CB . 52533 1
313 . 1 . 1 74 74 SER N N 15 120.359898 0.01505546623 . . . . . . . 401 SER N . 52533 1
314 . 1 . 1 75 75 LEU H H 1 8.977874151 0.002120353687 . . . . . . . 402 LEU H . 52533 1
315 . 1 . 1 75 75 LEU C C 13 176.8266174 . . . . . . . . 402 LEU C . 52533 1
316 . 1 . 1 75 75 LEU CA C 13 59.78865667 . . . . . . . . 402 LEU CA . 52533 1
317 . 1 . 1 75 75 LEU CB C 13 39.4932622 . . . . . . . . 402 LEU CB . 52533 1
318 . 1 . 1 75 75 LEU N N 15 119.6942045 0.02954448 . . . . . . . 402 LEU N . 52533 1
319 . 1 . 1 77 77 LYS H H 1 7.415724534 0.002278780787 . . . . . . . 404 LYS H . 52533 1
320 . 1 . 1 77 77 LYS C C 13 178.6138154 . . . . . . . . 404 LYS C . 52533 1
321 . 1 . 1 77 77 LYS CA C 13 58.53970932 . . . . . . . . 404 LYS CA . 52533 1
322 . 1 . 1 77 77 LYS CB C 13 31.37510442 . . . . . . . . 404 LYS CB . 52533 1
323 . 1 . 1 77 77 LYS N N 15 119.7001212 0.0165670612 . . . . . . . 404 LYS N . 52533 1
324 . 1 . 1 78 78 ILE H H 1 8.379313399 0.0009342273369 . . . . . . . 405 ILE H . 52533 1
325 . 1 . 1 78 78 ILE C C 13 178.6053945 . . . . . . . . 405 ILE C . 52533 1
326 . 1 . 1 78 78 ILE CA C 13 66.58062714 . . . . . . . . 405 ILE CA . 52533 1
327 . 1 . 1 78 78 ILE CB C 13 37.89773683 . . . . . . . . 405 ILE CB . 52533 1
328 . 1 . 1 78 78 ILE N N 15 118.8138299 0.01220277705 . . . . . . . 405 ILE N . 52533 1
329 . 1 . 1 79 79 GLY H H 1 8.347016589 0.0007592906348 . . . . . . . 406 GLY H . 52533 1
330 . 1 . 1 79 79 GLY C C 13 177.6585932 . . . . . . . . 406 GLY C . 52533 1
331 . 1 . 1 79 79 GLY CA C 13 48.51675484 . . . . . . . . 406 GLY CA . 52533 1
332 . 1 . 1 79 79 GLY N N 15 104.8264858 0.01887092952 . . . . . . . 406 GLY N . 52533 1
333 . 1 . 1 80 80 GLU H H 1 8.433682641 0.0007336658417 . . . . . . . 407 GLU H . 52533 1
334 . 1 . 1 80 80 GLU C C 13 180.0524591 . . . . . . . . 407 GLU C . 52533 1
335 . 1 . 1 80 80 GLU CA C 13 60.3953593 . . . . . . . . 407 GLU CA . 52533 1
336 . 1 . 1 80 80 GLU CB C 13 29.85613718 . . . . . . . . 407 GLU CB . 52533 1
337 . 1 . 1 80 80 GLU N N 15 123.2615091 0.02100562383 . . . . . . . 407 GLU N . 52533 1
338 . 1 . 1 81 81 GLU H H 1 8.029284725 0.0005717267336 . . . . . . . 408 GLU H . 52533 1
339 . 1 . 1 81 81 GLU C C 13 176.6446034 . . . . . . . . 408 GLU C . 52533 1
340 . 1 . 1 81 81 GLU CA C 13 58.22747248 . . . . . . . . 408 GLU CA . 52533 1
341 . 1 . 1 81 81 GLU CB C 13 29.74909253 . . . . . . . . 408 GLU CB . 52533 1
342 . 1 . 1 81 81 GLU N N 15 118.1731052 0.009901846165 . . . . . . . 408 GLU N . 52533 1
343 . 1 . 1 82 82 PHE H H 1 7.768623207 0.001618892141 . . . . . . . 409 PHE H . 52533 1
344 . 1 . 1 82 82 PHE C C 13 174.8893876 . . . . . . . . 409 PHE C . 52533 1
345 . 1 . 1 82 82 PHE CA C 13 57.52196366 . . . . . . . . 409 PHE CA . 52533 1
346 . 1 . 1 82 82 PHE CB C 13 38.61734945 . . . . . . . . 409 PHE CB . 52533 1
347 . 1 . 1 82 82 PHE N N 15 117.6542277 0.04318295544 . . . . . . . 409 PHE N . 52533 1
348 . 1 . 1 83 83 GLY H H 1 8.0448747 0.0008225970493 . . . . . . . 410 GLY H . 52533 1
349 . 1 . 1 83 83 GLY C C 13 175.0136681 . . . . . . . . 410 GLY C . 52533 1
350 . 1 . 1 83 83 GLY CA C 13 46.76613747 . . . . . . . . 410 GLY CA . 52533 1
351 . 1 . 1 83 83 GLY N N 15 107.4655236 0.005193794381 . . . . . . . 410 GLY N . 52533 1
352 . 1 . 1 84 84 GLY H H 1 8.261437426 0.0009681364532 . . . . . . . 411 GLY H . 52533 1
353 . 1 . 1 84 84 GLY C C 13 175.0511997 . . . . . . . . 411 GLY C . 52533 1
354 . 1 . 1 84 84 GLY CA C 13 46.2821846 . . . . . . . . 411 GLY CA . 52533 1
355 . 1 . 1 84 84 GLY N N 15 108.0174383 0.01107157822 . . . . . . . 411 GLY N . 52533 1
356 . 1 . 1 85 85 ARG H H 1 7.367946441 0.002415210907 . . . . . . . 412 ARG H . 52533 1
357 . 1 . 1 85 85 ARG C C 13 175.339498 . . . . . . . . 412 ARG C . 52533 1
358 . 1 . 1 85 85 ARG CA C 13 56.01033123 . . . . . . . . 412 ARG CA . 52533 1
359 . 1 . 1 85 85 ARG CB C 13 31.38655107 0.01833172809 . . . . . . . 412 ARG CB . 52533 1
360 . 1 . 1 85 85 ARG N N 15 120.4200724 0.01937774117 . . . . . . . 412 ARG N . 52533 1
361 . 1 . 1 86 86 ASP H H 1 8.275450645 0.001051103803 . . . . . . . 413 ASP H . 52533 1
362 . 1 . 1 86 86 ASP C C 13 176.7556051 . . . . . . . . 413 ASP C . 52533 1
363 . 1 . 1 86 86 ASP CA C 13 54.7875917 . . . . . . . . 413 ASP CA . 52533 1
364 . 1 . 1 86 86 ASP CB C 13 45.42250791 6.622114252 . . . . . . . 413 ASP CB . 52533 1
365 . 1 . 1 86 86 ASP N N 15 118.9035443 0.1126087134 . . . . . . . 413 ASP N . 52533 1
366 . 1 . 1 88 88 THR H H 1 7.570623603 0.0009270022722 . . . . . . . 415 THR H . 52533 1
367 . 1 . 1 88 88 THR C C 13 176.6423191 . . . . . . . . 415 THR C . 52533 1
368 . 1 . 1 88 88 THR CA C 13 65.55548028 . . . . . . . . 415 THR CA . 52533 1
369 . 1 . 1 88 88 THR CB C 13 68.17156675 . . . . . . . . 415 THR CB . 52533 1
370 . 1 . 1 88 88 THR N N 15 115.3363154 0.01039262131 . . . . . . . 415 THR N . 52533 1
371 . 1 . 1 89 89 THR H H 1 7.762562162 0.001657486989 . . . . . . . 416 THR H . 52533 1
372 . 1 . 1 89 89 THR C C 13 176.6446034 . . . . . . . . 416 THR C . 52533 1
373 . 1 . 1 89 89 THR CA C 13 66.332581 . . . . . . . . 416 THR CA . 52533 1
374 . 1 . 1 89 89 THR CB C 13 68.45738642 . . . . . . . . 416 THR CB . 52533 1
375 . 1 . 1 89 89 THR N N 15 118.3408617 0.03281588514 . . . . . . . 416 THR N . 52533 1
376 . 1 . 1 90 90 VAL H H 1 7.262552508 0.0005707129144 . . . . . . . 417 VAL H . 52533 1
377 . 1 . 1 90 90 VAL C C 13 177.5767555 . . . . . . . . 417 VAL C . 52533 1
378 . 1 . 1 90 90 VAL CA C 13 65.9888062 . . . . . . . . 417 VAL CA . 52533 1
379 . 1 . 1 90 90 VAL CB C 13 31.45852829 . . . . . . . . 417 VAL CB . 52533 1
380 . 1 . 1 90 90 VAL N N 15 122.7963346 0.005383267242 . . . . . . . 417 VAL N . 52533 1
381 . 1 . 1 91 91 ILE H H 1 7.883538282 0.002847910545 . . . . . . . 418 ILE H . 52533 1
382 . 1 . 1 91 91 ILE C C 13 178.395014 . . . . . . . . 418 ILE C . 52533 1
383 . 1 . 1 91 91 ILE CA C 13 65.41404643 . . . . . . . . 418 ILE CA . 52533 1
384 . 1 . 1 91 91 ILE CB C 13 38.24431485 . . . . . . . . 418 ILE CB . 52533 1
385 . 1 . 1 91 91 ILE N N 15 119.9465642 0.02113346825 . . . . . . . 418 ILE N . 52533 1
386 . 1 . 1 92 92 HIS H H 1 8.276738388 0.002653261443 . . . . . . . 419 HIS H . 52533 1
387 . 1 . 1 92 92 HIS C C 13 177.73861 . . . . . . . . 419 HIS C . 52533 1
388 . 1 . 1 92 92 HIS CA C 13 59.164183 . . . . . . . . 419 HIS CA . 52533 1
389 . 1 . 1 92 92 HIS CB C 13 29.81392023 . . . . . . . . 419 HIS CB . 52533 1
390 . 1 . 1 92 92 HIS N N 15 118.1392805 0.0471032205 . . . . . . . 419 HIS N . 52533 1
391 . 1 . 1 93 93 ALA H H 1 7.982019802 0.0001250637264 . . . . . . . 420 ALA H . 52533 1
392 . 1 . 1 93 93 ALA C C 13 178.5044147 . . . . . . . . 420 ALA C . 52533 1
393 . 1 . 1 93 93 ALA CA C 13 55.72957778 . . . . . . . . 420 ALA CA . 52533 1
394 . 1 . 1 93 93 ALA CB C 13 19.82234141 . . . . . . . . 420 ALA CB . 52533 1
395 . 1 . 1 93 93 ALA N N 15 121.4534314 0.01658984984 . . . . . . . 420 ALA N . 52533 1
396 . 1 . 1 94 94 HIS H H 1 8.569528393 0.001224967386 . . . . . . . 421 HIS H . 52533 1
397 . 1 . 1 94 94 HIS C C 13 178.395014 . . . . . . . . 421 HIS C . 52533 1
398 . 1 . 1 94 94 HIS CA C 13 61.33195666 . . . . . . . . 421 HIS CA . 52533 1
399 . 1 . 1 94 94 HIS CB C 13 31.54610117 . . . . . . . . 421 HIS CB . 52533 1
400 . 1 . 1 94 94 HIS N N 15 116.9014052 0.01362082497 . . . . . . . 421 HIS N . 52533 1
401 . 1 . 1 95 95 GLU H H 1 8.860913491 0.0001222402188 . . . . . . . 422 GLU H . 52533 1
402 . 1 . 1 95 95 GLU C C 13 178.5044147 . . . . . . . . 422 GLU C . 52533 1
403 . 1 . 1 95 95 GLU CA C 13 59.78865667 . . . . . . . . 422 GLU CA . 52533 1
404 . 1 . 1 95 95 GLU CB C 13 29.81392023 . . . . . . . . 422 GLU CB . 52533 1
405 . 1 . 1 95 95 GLU N N 15 121.4220623 0.07336624372 . . . . . . . 422 GLU N . 52533 1
406 . 1 . 1 96 96 LYS H H 1 8.363569399 0.0001603841268 . . . . . . . 423 LYS H . 52533 1
407 . 1 . 1 96 96 LYS C C 13 179.1608187 . . . . . . . . 423 LYS C . 52533 1
408 . 1 . 1 96 96 LYS CA C 13 59.47641983 . . . . . . . . 423 LYS CA . 52533 1
409 . 1 . 1 96 96 LYS CB C 13 32.93628861 . . . . . . . . 423 LYS CB . 52533 1
410 . 1 . 1 96 96 LYS N N 15 119.9263023 0.004023091805 . . . . . . . 423 LYS N . 52533 1
411 . 1 . 1 97 97 ILE H H 1 8.2487631 0.001891118529 . . . . . . . 424 ILE H . 52533 1
412 . 1 . 1 97 97 ILE C C 13 177.1916067 . . . . . . . . 424 ILE C . 52533 1
413 . 1 . 1 97 97 ILE CA C 13 61.24350565 . . . . . . . . 424 ILE CA . 52533 1
414 . 1 . 1 97 97 ILE CB C 13 34.40436924 . . . . . . . . 424 ILE CB . 52533 1
415 . 1 . 1 97 97 ILE N N 15 117.247677 0.0245958519 . . . . . . . 424 ILE N . 52533 1
416 . 1 . 1 98 98 SER H H 1 7.920501851 0.001265796334 . . . . . . . 425 SER H . 52533 1
417 . 1 . 1 98 98 SER CA C 13 62.86733873 . . . . . . . . 425 SER CA . 52533 1
418 . 1 . 1 98 98 SER CB C 13 62.75518416 0.05248843266 . . . . . . . 425 SER CB . 52533 1
419 . 1 . 1 98 98 SER N N 15 114.2413705 0.006100270332 . . . . . . . 425 SER N . 52533 1
420 . 1 . 1 99 99 LYS H H 1 7.538769026 0.0005740310098 . . . . . . . 426 LYS H . 52533 1
421 . 1 . 1 99 99 LYS C C 13 179.5984213 . . . . . . . . 426 LYS C . 52533 1
422 . 1 . 1 99 99 LYS CA C 13 59.164183 . . . . . . . . 426 LYS CA . 52533 1
423 . 1 . 1 99 99 LYS CB C 13 32.62405177 . . . . . . . . 426 LYS CB . 52533 1
424 . 1 . 1 99 99 LYS N N 15 119.9348446 0.01538061853 . . . . . . . 426 LYS N . 52533 1
425 . 1 . 1 100 100 LEU H H 1 8.029229733 0.001213776605 . . . . . . . 427 LEU H . 52533 1
426 . 1 . 1 100 100 LEU C C 13 178.9420174 0 . . . . . . . 427 LEU C . 52533 1
427 . 1 . 1 100 100 LEU CA C 13 57.60299881 . . . . . . . . 427 LEU CA . 52533 1
428 . 1 . 1 100 100 LEU CB C 13 42.92786742 . . . . . . . . 427 LEU CB . 52533 1
429 . 1 . 1 100 100 LEU N N 15 121.0345665 0.02620287978 . . . . . . . 427 LEU N . 52533 1
430 . 1 . 1 101 101 LEU H H 1 8.261455195 0.0003398837891 . . . . . . . 428 LEU H . 52533 1
431 . 1 . 1 101 101 LEU C C 13 177.734756 . . . . . . . . 428 LEU C . 52533 1
432 . 1 . 1 101 101 LEU CA C 13 57.29076197 . . . . . . . . 428 LEU CA . 52533 1
433 . 1 . 1 101 101 LEU CB C 13 42.61563058 . . . . . . . . 428 LEU CB . 52533 1
434 . 1 . 1 101 101 LEU N N 15 118.1860824 0.01523634697 . . . . . . . 428 LEU N . 52533 1
435 . 1 . 1 102 102 ALA H H 1 7.19178009 0.0003708248929 . . . . . . . 429 ALA H . 52533 1
436 . 1 . 1 102 102 ALA C C 13 178.395014 . . . . . . . . 429 ALA C . 52533 1
437 . 1 . 1 102 102 ALA CA C 13 54.79286726 . . . . . . . . 429 ALA CA . 52533 1
438 . 1 . 1 102 102 ALA CB C 13 18.57339406 . . . . . . . . 429 ALA CB . 52533 1
439 . 1 . 1 102 102 ALA N N 15 118.4025845 0.01828917011 . . . . . . . 429 ALA N . 52533 1
440 . 1 . 1 103 103 ASP H H 1 7.213404355 0.0005427210063 . . . . . . . 430 ASP H . 52533 1
441 . 1 . 1 103 103 ASP C C 13 175.3466361 . . . . . . . . 430 ASP C . 52533 1
442 . 1 . 1 103 103 ASP CA C 13 54.44266357 . . . . . . . . 430 ASP CA . 52533 1
443 . 1 . 1 103 103 ASP CB C 13 43.5893661 . . . . . . . . 430 ASP CB . 52533 1
444 . 1 . 1 103 103 ASP N N 15 112.1285233 0.003832050906 . . . . . . . 430 ASP N . 52533 1
445 . 1 . 1 104 104 ASP H H 1 7.89275501 0.0006749555494 . . . . . . . 431 ASP H . 52533 1
446 . 1 . 1 104 104 ASP C C 13 175.5505967 . . . . . . . . 431 ASP C . 52533 1
447 . 1 . 1 104 104 ASP CA C 13 53.92885606 . . . . . . . . 431 ASP CA . 52533 1
448 . 1 . 1 104 104 ASP CB C 13 41.99303181 . . . . . . . . 431 ASP CB . 52533 1
449 . 1 . 1 104 104 ASP N N 15 120.2150844 0.04852252008 . . . . . . . 431 ASP N . 52533 1
450 . 1 . 1 105 105 GLU H H 1 8.83803448 0.0006164750939 . . . . . . . 432 GLU H . 52533 1
451 . 1 . 1 105 105 GLU C C 13 179.128612 . . . . . . . . 432 GLU C . 52533 1
452 . 1 . 1 105 105 GLU CA C 13 59.46996175 . . . . . . . . 432 GLU CA . 52533 1
453 . 1 . 1 105 105 GLU CB C 13 29.71085291 . . . . . . . . 432 GLU CB . 52533 1
454 . 1 . 1 105 105 GLU N N 15 126.277182 0.007041202685 . . . . . . . 432 GLU N . 52533 1
455 . 1 . 1 106 106 GLN H H 1 8.246252103 0.001411492492 . . . . . . . 433 GLN H . 52533 1
456 . 1 . 1 106 106 GLN C C 13 178.395014 . . . . . . . . 433 GLN C . 52533 1
457 . 1 . 1 106 106 GLN CA C 13 58.95877419 . . . . . . . . 433 GLN CA . 52533 1
458 . 1 . 1 106 106 GLN CB C 13 28.27805326 . . . . . . . . 433 GLN CB . 52533 1
459 . 1 . 1 106 106 GLN N N 15 120.5604325 0.01688557103 . . . . . . . 433 GLN N . 52533 1
460 . 1 . 1 107 107 LEU H H 1 8.343419794 0.0005859650626 . . . . . . . 434 LEU H . 52533 1
461 . 1 . 1 107 107 LEU C C 13 178.926266 . . . . . . . . 434 LEU C . 52533 1
462 . 1 . 1 107 107 LEU CA C 13 57.80691086 . . . . . . . . 434 LEU CA . 52533 1
463 . 1 . 1 107 107 LEU CB C 13 41.07606228 . . . . . . . . 434 LEU CB . 52533 1
464 . 1 . 1 107 107 LEU N N 15 123.3786071 0.01894070532 . . . . . . . 434 LEU N . 52533 1
465 . 1 . 1 108 108 GLN H H 1 8.327494328 0.002458881515 . . . . . . . 435 GLN H . 52533 1
466 . 1 . 1 108 108 GLN C C 13 179.2768604 0.008498825327 . . . . . . . 435 GLN C . 52533 1
467 . 1 . 1 108 108 GLN CA C 13 59.42368296 0.04182770554 . . . . . . . 435 GLN CA . 52533 1
468 . 1 . 1 108 108 GLN CB C 13 28.02979353 0.089294325 . . . . . . . 435 GLN CB . 52533 1
469 . 1 . 1 108 108 GLN N N 15 116.6819785 0.04344791208 . . . . . . . 435 GLN N . 52533 1
470 . 1 . 1 109 109 GLN H H 1 7.704629701 0.001657941366 . . . . . . . 436 GLN H . 52533 1
471 . 1 . 1 109 109 GLN C C 13 177.9754818 0 . . . . . . . 436 GLN C . 52533 1
472 . 1 . 1 109 109 GLN CA C 13 58.86259451 . . . . . . . . 436 GLN CA . 52533 1
473 . 1 . 1 109 109 GLN CB C 13 27.4154356 . . . . . . . . 436 GLN CB . 52533 1
474 . 1 . 1 109 109 GLN N N 15 119.7393402 0.02138241481 . . . . . . . 436 GLN N . 52533 1
475 . 1 . 1 110 110 HIS H H 1 8.294126349 0.001189579514 . . . . . . . 437 HIS H . 52533 1
476 . 1 . 1 110 110 HIS C C 13 178.723216 . . . . . . . . 437 HIS C . 52533 1
477 . 1 . 1 110 110 HIS CA C 13 59.73149444 . . . . . . . . 437 HIS CA . 52533 1
478 . 1 . 1 110 110 HIS CB C 13 31.68734125 . . . . . . . . 437 HIS CB . 52533 1
479 . 1 . 1 110 110 HIS N N 15 118.8106938 0.02202673716 . . . . . . . 437 HIS N . 52533 1
480 . 1 . 1 111 111 VAL H H 1 8.71826808 0.0006576461134 . . . . . . . 438 VAL H . 52533 1
481 . 1 . 1 111 111 VAL C C 13 176.9457708 . . . . . . . . 438 VAL C . 52533 1
482 . 1 . 1 111 111 VAL CA C 13 68.2190513 . . . . . . . . 438 VAL CA . 52533 1
483 . 1 . 1 111 111 VAL CB C 13 31.37510442 . . . . . . . . 438 VAL CB . 52533 1
484 . 1 . 1 111 111 VAL N N 15 117.3474253 0.0499510753 . . . . . . . 438 VAL N . 52533 1
485 . 1 . 1 112 112 LYS H H 1 8.165817359 0.000344783087 . . . . . . . 439 LYS H . 52533 1
486 . 1 . 1 112 112 LYS C C 13 179.1608187 . . . . . . . . 439 LYS C . 52533 1
487 . 1 . 1 112 112 LYS CA C 13 60.41313035 . . . . . . . . 439 LYS CA . 52533 1
488 . 1 . 1 112 112 LYS CB C 13 32.51930652 0.1467209821 . . . . . . . 439 LYS CB . 52533 1
489 . 1 . 1 112 112 LYS N N 15 121.4575734 0.004163609475 . . . . . . . 439 LYS N . 52533 1
490 . 1 . 1 113 113 GLU H H 1 8.230777556 0.003112424986 . . . . . . . 440 GLU H . 52533 1
491 . 1 . 1 113 113 GLU C C 13 180.364226 . . . . . . . . 440 GLU C . 52533 1
492 . 1 . 1 113 113 GLU CA C 13 59.57978298 . . . . . . . . 440 GLU CA . 52533 1
493 . 1 . 1 113 113 GLU CB C 13 29.57302134 . . . . . . . . 440 GLU CB . 52533 1
494 . 1 . 1 113 113 GLU N N 15 118.9372845 0.09624781587 . . . . . . . 440 GLU N . 52533 1
495 . 1 . 1 114 114 ILE H H 1 8.437759247 0.002569946108 . . . . . . . 441 ILE H . 52533 1
496 . 1 . 1 114 114 ILE C C 13 177.8480107 . . . . . . . . 441 ILE C . 52533 1
497 . 1 . 1 114 114 ILE CA C 13 65.40891975 . . . . . . . . 441 ILE CA . 52533 1
498 . 1 . 1 114 114 ILE CB C 13 38.10451472 . . . . . . . . 441 ILE CB . 52533 1
499 . 1 . 1 114 114 ILE N N 15 121.1066313 0.09492807207 . . . . . . . 441 ILE N . 52533 1
500 . 1 . 1 115 115 LYS H H 1 8.663197853 0.0001904924909 . . . . . . . 442 LYS H . 52533 1
501 . 1 . 1 115 115 LYS C C 13 180.2548253 . . . . . . . . 442 LYS C . 52533 1
502 . 1 . 1 115 115 LYS CA C 13 61.34984086 . . . . . . . . 442 LYS CA . 52533 1
503 . 1 . 1 115 115 LYS CB C 13 32.31181493 . . . . . . . . 442 LYS CB . 52533 1
504 . 1 . 1 115 115 LYS N N 15 117.7419273 0.003366880419 . . . . . . . 442 LYS N . 52533 1
505 . 1 . 1 116 116 GLU H H 1 8.044196536 0.00200079287 . . . . . . . 443 GLU H . 52533 1
506 . 1 . 1 116 116 GLU C C 13 178.395014 . . . . . . . . 443 GLU C . 52533 1
507 . 1 . 1 116 116 GLU CA C 13 58.85194616 . . . . . . . . 443 GLU CA . 52533 1
508 . 1 . 1 116 116 GLU CB C 13 29.41140754 . . . . . . . . 443 GLU CB . 52533 1
509 . 1 . 1 116 116 GLU N N 15 118.3770993 0.02961694445 . . . . . . . 443 GLU N . 52533 1
510 . 1 . 1 117 117 GLN H H 1 7.481393598 0.0009089860954 . . . . . . . 444 GLN H . 52533 1
511 . 1 . 1 117 117 GLN C C 13 176.7167254 . . . . . . . . 444 GLN C . 52533 1
512 . 1 . 1 117 117 GLN CA C 13 56.85034579 . . . . . . . . 444 GLN CA . 52533 1
513 . 1 . 1 117 117 GLN CB C 13 30.18474435 . . . . . . . . 444 GLN CB . 52533 1
514 . 1 . 1 117 117 GLN N N 15 115.7929175 0.006064452246 . . . . . . . 444 GLN N . 52533 1
515 . 1 . 1 118 118 LEU H H 1 7.429783942 0.000994958988 . . . . . . . 445 LEU H . 52533 1
516 . 1 . 1 118 118 LEU C C 13 175.5505967 . . . . . . . . 445 LEU C . 52533 1
517 . 1 . 1 118 118 LEU CA C 13 54.79286726 . . . . . . . . 445 LEU CA . 52533 1
518 . 1 . 1 118 118 LEU CB C 13 42.92786742 . . . . . . . . 445 LEU CB . 52533 1
519 . 1 . 1 118 118 LEU N N 15 120.3650553 0.0004966821538 . . . . . . . 445 LEU N . 52533 1
520 . 1 . 1 119 119 LYS H H 1 7.193450852 0.0004233237857 . . . . . . . 446 LYS H . 52533 1
521 . 1 . 1 119 119 LYS C C 13 181.0695547 . . . . . . . . 446 LYS C . 52533 1
522 . 1 . 1 119 119 LYS CA C 13 58.46759841 . . . . . . . . 446 LYS CA . 52533 1
523 . 1 . 1 119 119 LYS CB C 13 33.72747663 . . . . . . . . 446 LYS CB . 52533 1
524 . 1 . 1 119 119 LYS N N 15 124.460975 0.01240285021 . . . . . . . 446 LYS N . 52533 1
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