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 51940
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone Assignment of Human Polymerase Theta MOTIF 2 phosphorylated by PLK1'
_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' . . . 51940 1
2 '3D CBCA(CO)NH' . . . 51940 1
3 '3D HNCA' . . . 51940 1
4 '3D HNCACB' . . . 51940 1
5 '3D HNCO' . . . 51940 1
6 '3D HNCACO' . . . 51940 1
7 '3D HNCANNH' . . . 51940 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 . . 51940 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 ASN H H 1 8.38397654000706 . . . . . . . . 2 N H . 51940 1
2 . 1 . 1 2 2 ASN C C 13 174.82567187735 . . . . . . . . 2 N C . 51940 1
3 . 1 . 1 2 2 ASN CA C 13 53.2085454892367 . . . . . . . . 2 N CA . 51940 1
4 . 1 . 1 2 2 ASN CB C 13 38.5553055703639 . . . . . . . . 2 N CB . 51940 1
5 . 1 . 1 2 2 ASN N N 15 118.969669267504 . . . . . . . . 2 N N . 51940 1
6 . 1 . 1 3 3 GLN H H 1 8.76045788534854 . . . . . . . . 3 Q H . 51940 1
7 . 1 . 1 3 3 GLN C C 13 175.455957588087 . . . . . . . . 3 Q C . 51940 1
8 . 1 . 1 3 3 GLN CA C 13 55.7476976197212 . . . . . . . . 3 Q CA . 51940 1
9 . 1 . 1 3 3 GLN CB C 13 29.0339979063719 . . . . . . . . 3 Q CB . 51940 1
10 . 1 . 1 3 3 GLN N N 15 121.559960492554 . . . . . . . . 3 Q N . 51940 1
11 . 1 . 1 4 4 ASP H H 1 8.52074602463176 . . . . . . . . 4 D H . 51940 1
12 . 1 . 1 4 4 ASP C C 13 176.528400716475 . . . . . . . . 4 D C . 51940 1
13 . 1 . 1 4 4 ASP CA C 13 54.4249209258705 . . . . . . . . 4 D CA . 51940 1
14 . 1 . 1 4 4 ASP CB C 13 40.8520905822515 . . . . . . . . 4 D CB . 51940 1
15 . 1 . 1 4 4 ASP N N 15 121.748102121104 . . . . . . . . 4 D N . 51940 1
16 . 1 . 1 5 5 THR H H 1 8.1811171033978 . . . . . . . . 5 T H . 51940 1
17 . 1 . 1 5 5 THR C C 13 174.66377639548 . . . . . . . . 5 T C . 51940 1
18 . 1 . 1 5 5 THR CA C 13 61.7498804125935 . . . . . . . . 5 T CA . 51940 1
19 . 1 . 1 5 5 THR CB C 13 69.2306876797229 . . . . . . . . 5 T CB . 51940 1
20 . 1 . 1 5 5 THR N N 15 114.369660744199 . . . . . . . . 5 T N . 51940 1
21 . 1 . 1 6 6 HIS H H 1 8.58987650267747 . . . . . . . . 6 H H . 51940 1
22 . 1 . 1 6 6 HIS CA C 13 55.6682225689292 . . . . . . . . 6 H CA . 51940 1
23 . 1 . 1 6 6 HIS CB C 13 28.4099144041538 . . . . . . . . 6 H CB . 51940 1
24 . 1 . 1 6 6 HIS N N 15 120.4937618773 . . . . . . . . 6 H N . 51940 1
25 . 1 . 1 8 8 GLN H H 1 8.58891493975922 . . . . . . . . 8 Q H . 51940 1
26 . 1 . 1 8 8 GLN C C 13 175.650414952646 . . . . . . . . 8 Q C . 51940 1
27 . 1 . 1 8 8 GLN CA C 13 56.0600004363805 . . . . . . . . 8 Q CA . 51940 1
28 . 1 . 1 8 8 GLN CB C 13 40.8279660125928 . . . . . . . . 8 Q CB . 51940 1
29 . 1 . 1 8 8 GLN N N 15 122.150649519637 . . . . . . . . 8 Q N . 51940 1
30 . 1 . 1 9 9 LEU H H 1 8.51906784667379 . . . . . . . . 9 L H . 51940 1
31 . 1 . 1 9 9 LEU C C 13 177.349275793052 . . . . . . . . 9 L C . 51940 1
32 . 1 . 1 9 9 LEU CA C 13 54.9944011205807 . . . . . . . . 9 L CA . 51940 1
33 . 1 . 1 9 9 LEU CB C 13 42.0486913137137 . . . . . . . . 9 L CB . 51940 1
34 . 1 . 1 9 9 LEU N N 15 124.285015773004 . . . . . . . . 9 L N . 51940 1
35 . 1 . 1 10 10 THR H H 1 8.24938884968343 . . . . . . . . 10 T H . 51940 1
36 . 1 . 1 10 10 THR C C 13 174.18677451565 . . . . . . . . 10 T C . 51940 1
37 . 1 . 1 10 10 THR CA C 13 61.2834389638155 . . . . . . . . 10 T CA . 51940 1
38 . 1 . 1 10 10 THR CB C 13 69.696307875216 . . . . . . . . 10 T CB . 51940 1
39 . 1 . 1 10 10 THR N N 15 115.128307179504 . . . . . . . . 10 T N . 51940 1
40 . 1 . 1 11 11 GLN H H 1 8.57912104906213 . . . . . . . . 11 Q H . 51940 1
41 . 1 . 1 11 11 GLN C C 13 175.94207384308 . . . . . . . . 11 Q C . 51940 1
42 . 1 . 1 11 11 GLN CA C 13 55.441516611725 . . . . . . . . 11 Q CA . 51940 1
43 . 1 . 1 11 11 GLN CB C 13 29.4043450988829 . . . . . . . . 11 Q CB . 51940 1
44 . 1 . 1 11 11 GLN N N 15 122.592427262101 . . . . . . . . 11 Q N . 51940 1
45 . 1 . 1 12 12 SEP H H 1 8.92239103648641 . . . . . . . . 12 SEP H . 51940 1
46 . 1 . 1 12 12 SEP C C 13 173.780986669111 . . . . . . . . 12 SEP C . 51940 1
47 . 1 . 1 12 12 SEP CA C 13 57.8395481556653 . . . . . . . . 12 SEP CA . 51940 1
48 . 1 . 1 12 12 SEP CB C 13 65.6221554763615 . . . . . . . . 12 SEP CB . 51940 1
49 . 1 . 1 12 12 SEP N N 15 118.276098755085 . . . . . . . . 12 SEP N . 51940 1
50 . 1 . 1 13 13 ASN H H 1 8.580759226568 . . . . . . . . 13 N H . 51940 1
51 . 1 . 1 13 13 ASN C C 13 174.57671155527 . . . . . . . . 13 N C . 51940 1
52 . 1 . 1 13 13 ASN CA C 13 53.2908150802832 . . . . . . . . 13 N CA . 51940 1
53 . 1 . 1 13 13 ASN CB C 13 38.7077130209654 . . . . . . . . 13 N CB . 51940 1
54 . 1 . 1 13 13 ASN N N 15 120.528696824794 . . . . . . . . 13 N N . 51940 1
55 . 1 . 1 14 14 ASP H H 1 8.41480763464306 . . . . . . . . 14 D H . 51940 1
56 . 1 . 1 14 14 ASP C C 13 176.018191082972 . . . . . . . . 14 D C . 51940 1
57 . 1 . 1 14 14 ASP CA C 13 53.2276856903918 . . . . . . . . 14 D CA . 51940 1
58 . 1 . 1 14 14 ASP CB C 13 40.5704893073998 . . . . . . . . 14 D CB . 51940 1
59 . 1 . 1 14 14 ASP N N 15 121.379660659386 . . . . . . . . 14 D N . 51940 1
60 . 1 . 1 15 15 GLU H H 1 8.42339195950491 . . . . . . . . 15 E H . 51940 1
61 . 1 . 1 15 15 GLU C C 13 176.429167023498 . . . . . . . . 15 E C . 51940 1
62 . 1 . 1 15 15 GLU CA C 13 56.8254808541387 . . . . . . . . 15 E CA . 51940 1
63 . 1 . 1 15 15 GLU CB C 13 29.7429435928352 . . . . . . . . 15 E CB . 51940 1
64 . 1 . 1 15 15 GLU N N 15 121.375379415406 . . . . . . . . 15 E N . 51940 1
65 . 1 . 1 16 16 SEP H H 1 8.71798509341939 . . . . . . . . 16 SEP H . 51940 1
66 . 1 . 1 16 16 SEP C C 13 173.712414133 . . . . . . . . 16 SEP C . 51940 1
67 . 1 . 1 16 16 SEP CA C 13 57.4838901031762 . . . . . . . . 16 SEP CA . 51940 1
68 . 1 . 1 16 16 SEP CB C 13 65.5755798909813 . . . . . . . . 16 SEP CB . 51940 1
69 . 1 . 1 16 16 SEP N N 15 117.826783467406 . . . . . . . . 16 SEP N . 51940 1
70 . 1 . 1 17 17 ILE H H 1 8.20367415612616 . . . . . . . . 17 I H . 51940 1
71 . 1 . 1 17 17 ILE C C 13 175.636015769663 . . . . . . . . 17 I C . 51940 1
72 . 1 . 1 17 17 ILE CA C 13 60.6840818915516 . . . . . . . . 17 I CA . 51940 1
73 . 1 . 1 17 17 ILE CB C 13 38.3623341750353 . . . . . . . . 17 I CB . 51940 1
74 . 1 . 1 17 17 ILE N N 15 123.337519129896 . . . . . . . . 17 I N . 51940 1
75 . 1 . 1 18 18 ILE H H 1 8.24702550022708 . . . . . . . . 18 I H . 51940 1
76 . 1 . 1 18 18 ILE C C 13 175.785534477431 . . . . . . . . 18 I C . 51940 1
77 . 1 . 1 18 18 ILE CA C 13 60.716048527509 . . . . . . . . 18 I CA . 51940 1
78 . 1 . 1 18 18 ILE CB C 13 38.3193969046697 . . . . . . . . 18 I CB . 51940 1
79 . 1 . 1 18 18 ILE N N 15 125.822021717042 . . . . . . . . 18 I N . 51940 1
80 . 1 . 1 19 19 PHE H H 1 8.51985059615104 . . . . . . . . 19 F H . 51940 1
81 . 1 . 1 19 19 PHE C C 13 175.490733204979 . . . . . . . . 19 F C . 51940 1
82 . 1 . 1 19 19 PHE CA C 13 57.803440307267 . . . . . . . . 19 F CA . 51940 1
83 . 1 . 1 19 19 PHE CB C 13 39.3443515915423 . . . . . . . . 19 F CB . 51940 1
84 . 1 . 1 19 19 PHE N N 15 125.906349616898 . . . . . . . . 19 F N . 51940 1
85 . 1 . 1 20 20 SER H H 1 8.28181995359007 . . . . . . . . 20 S H . 51940 1
86 . 1 . 1 20 20 SER C C 13 173.953685635339 . . . . . . . . 20 S C . 51940 1
87 . 1 . 1 20 20 SER CA C 13 57.78293357566 . . . . . . . . 20 S CA . 51940 1
88 . 1 . 1 20 20 SER CB C 13 63.6138882264494 . . . . . . . . 20 S CB . 51940 1
89 . 1 . 1 20 20 SER N N 15 118.169985375209 . . . . . . . . 20 S N . 51940 1
90 . 1 . 1 21 21 GLU H H 1 8.49083676183787 . . . . . . . . 21 E H . 51940 1
91 . 1 . 1 21 21 GLU C C 13 176.138982507969 . . . . . . . . 21 E C . 51940 1
92 . 1 . 1 21 21 GLU CA C 13 56.1494705826044 . . . . . . . . 21 E CA . 51940 1
93 . 1 . 1 21 21 GLU CB C 13 29.7862463565543 . . . . . . . . 21 E CB . 51940 1
94 . 1 . 1 21 21 GLU N N 15 122.952576739617 . . . . . . . . 21 E N . 51940 1
95 . 1 . 1 22 22 MET H H 1 8.35312473090248 . . . . . . . . 22 M H . 51940 1
96 . 1 . 1 22 22 MET C C 13 175.73438290517 . . . . . . . . 22 M C . 51940 1
97 . 1 . 1 22 22 MET CA C 13 55.1865211991619 . . . . . . . . 22 M CA . 51940 1
98 . 1 . 1 22 22 MET CB C 13 32.5405477117747 . . . . . . . . 22 M CB . 51940 1
99 . 1 . 1 22 22 MET N N 15 121.007201586204 . . . . . . . . 22 M N . 51940 1
100 . 1 . 1 23 23 ASP H H 1 8.39183291983659 . . . . . . . . 23 D H . 51940 1
101 . 1 . 1 23 23 ASP C C 13 176.120932882755 . . . . . . . . 23 D C . 51940 1
102 . 1 . 1 23 23 ASP CA C 13 54.1071662417328 . . . . . . . . 23 D CA . 51940 1
103 . 1 . 1 23 23 ASP CB C 13 41.1513912500813 . . . . . . . . 23 D CB . 51940 1
104 . 1 . 1 23 23 ASP N N 15 122.364797173131 . . . . . . . . 23 D N . 51940 1
105 . 1 . 1 24 24 SEP H H 1 8.81546995713886 . . . . . . . . 24 SEP H . 51940 1
106 . 1 . 1 24 24 SEP C C 13 174.315516347635 . . . . . . . . 24 SEP C . 51940 1
107 . 1 . 1 24 24 SEP CA C 13 57.5892426851978 . . . . . . . . 24 SEP CA . 51940 1
108 . 1 . 1 24 24 SEP CB C 13 65.6678143255412 . . . . . . . . 24 SEP CB . 51940 1
109 . 1 . 1 24 24 SEP N N 15 117.264038215478 . . . . . . . . 24 SEP N . 51940 1
110 . 1 . 1 25 25 VAL H H 1 8.31589031174897 . . . . . . . . 25 V H . 51940 1
111 . 1 . 1 25 25 VAL C C 13 176.15331252535 . . . . . . . . 25 V C . 51940 1
112 . 1 . 1 25 25 VAL CA C 13 62.7051525339484 . . . . . . . . 25 V CA . 51940 1
113 . 1 . 1 25 25 VAL CB C 13 32.0960699822753 . . . . . . . . 25 V CB . 51940 1
114 . 1 . 1 25 25 VAL N N 15 122.945489971002 . . . . . . . . 25 V N . 51940 1
115 . 1 . 1 26 26 GLN H H 1 8.52176571430949 . . . . . . . . 26 Q H . 51940 1
116 . 1 . 1 26 26 GLN C C 13 175.895159184571 . . . . . . . . 26 Q C . 51940 1
117 . 1 . 1 26 26 GLN CA C 13 55.5205839453265 . . . . . . . . 26 Q CA . 51940 1
118 . 1 . 1 26 26 GLN CB C 13 28.7592622637749 . . . . . . . . 26 Q CB . 51940 1
119 . 1 . 1 26 26 GLN N N 15 124.304802533527 . . . . . . . . 26 Q N . 51940 1
120 . 1 . 1 27 27 MET H H 1 8.52534377086121 . . . . . . . . 27 M H . 51940 1
121 . 1 . 1 27 27 MET C C 13 176.002776196796 . . . . . . . . 27 M C . 51940 1
122 . 1 . 1 27 27 MET CA C 13 55.3409972088412 . . . . . . . . 27 M CA . 51940 1
123 . 1 . 1 27 27 MET CB C 13 31.1949293307447 . . . . . . . . 27 M CB . 51940 1
124 . 1 . 1 27 27 MET N N 15 122.608114830892 . . . . . . . . 27 M N . 51940 1
125 . 1 . 1 28 28 VAL H H 1 8.2238382186571 . . . . . . . . 28 V H . 51940 1
126 . 1 . 1 28 28 VAL C C 13 176.035949987928 . . . . . . . . 28 V C . 51940 1
127 . 1 . 1 28 28 VAL CA C 13 62.2950313385606 . . . . . . . . 28 V CA . 51940 1
128 . 1 . 1 28 28 VAL CB C 13 32.6191816926002 . . . . . . . . 28 V CB . 51940 1
129 . 1 . 1 28 28 VAL N N 15 122.058017349495 . . . . . . . . 28 V N . 51940 1
130 . 1 . 1 29 29 GLU H H 1 8.52854689974589 . . . . . . . . 29 E H . 51940 1
131 . 1 . 1 29 29 GLU C C 13 175.89086075836 . . . . . . . . 29 E C . 51940 1
132 . 1 . 1 29 29 GLU CA C 13 56.2559538893401 . . . . . . . . 29 E CA . 51940 1
133 . 1 . 1 29 29 GLU CB C 13 30.0757390968502 . . . . . . . . 29 E CB . 51940 1
134 . 1 . 1 29 29 GLU N N 15 125.056472458802 . . . . . . . . 29 E N . 51940 1
135 . 1 . 1 30 30 ALA H H 1 8.4185376365287 . . . . . . . . 30 A H . 51940 1
136 . 1 . 1 30 30 ALA C C 13 177.523767014603 . . . . . . . . 30 A C . 51940 1
137 . 1 . 1 30 30 ALA CA C 13 52.2993129175156 . . . . . . . . 30 A CA . 51940 1
138 . 1 . 1 30 30 ALA CB C 13 18.870922729373 . . . . . . . . 30 A CB . 51940 1
139 . 1 . 1 30 30 ALA N N 15 125.647585458938 . . . . . . . . 30 A N . 51940 1
140 . 1 . 1 31 31 LEU H H 1 8.30594138720602 . . . . . . . . 31 L H . 51940 1
141 . 1 . 1 31 31 LEU C C 13 177.04598156606 . . . . . . . . 31 L C . 51940 1
142 . 1 . 1 31 31 LEU CA C 13 55.8845245540142 . . . . . . . . 31 L CA . 51940 1
143 . 1 . 1 31 31 LEU CB C 13 42.1259690932929 . . . . . . . . 31 L CB . 51940 1
144 . 1 . 1 31 31 LEU N N 15 121.701117660003 . . . . . . . . 31 L N . 51940 1
145 . 1 . 1 32 32 ASP H H 1 8.33382914847073 . . . . . . . . 32 D H . 51940 1
146 . 1 . 1 32 32 ASP C C 13 175.677796525053 . . . . . . . . 32 D C . 51940 1
147 . 1 . 1 32 32 ASP CA C 13 54.1070590238086 . . . . . . . . 32 D CA . 51940 1
148 . 1 . 1 32 32 ASP CB C 13 40.6467275843024 . . . . . . . . 32 D CB . 51940 1
149 . 1 . 1 32 32 ASP N N 15 120.503070443189 . . . . . . . . 32 D N . 51940 1
150 . 1 . 1 33 33 ASN H H 1 8.34777976052299 . . . . . . . . 33 N H . 51940 1
151 . 1 . 1 33 33 ASN C C 13 174.997612568188 . . . . . . . . 33 N C . 51940 1
152 . 1 . 1 33 33 ASN CA C 13 53.0298763997852 . . . . . . . . 33 N CA . 51940 1
153 . 1 . 1 33 33 ASN CB C 13 38.5355012714862 . . . . . . . . 33 N CB . 51940 1
154 . 1 . 1 33 33 ASN N N 15 118.913719299098 . . . . . . . . 33 N N . 51940 1
155 . 1 . 1 34 34 VAL H H 1 8.07864192783643 . . . . . . . . 34 V H . 51940 1
156 . 1 . 1 34 34 VAL C C 13 175.562664058629 . . . . . . . . 34 V C . 51940 1
157 . 1 . 1 34 34 VAL CA C 13 62.0642050784081 . . . . . . . . 34 V CA . 51940 1
158 . 1 . 1 34 34 VAL CB C 13 32.2549993097782 . . . . . . . . 34 V CB . 51940 1
159 . 1 . 1 34 34 VAL N N 15 119.807374037996 . . . . . . . . 34 V N . 51940 1
160 . 1 . 1 35 35 ASP H H 1 8.41344391155304 . . . . . . . . 35 D H . 51940 1
161 . 1 . 1 35 35 ASP C C 13 175.517847182333 . . . . . . . . 35 D C . 51940 1
162 . 1 . 1 35 35 ASP CA C 13 54.1920316070318 . . . . . . . . 35 D CA . 51940 1
163 . 1 . 1 35 35 ASP CB C 13 40.8305290192366 . . . . . . . . 35 D CB . 51940 1
164 . 1 . 1 35 35 ASP N N 15 123.738005082247 . . . . . . . . 35 D N . 51940 1
165 . 1 . 1 36 36 ILE H H 1 7.89924574312895 . . . . . . . . 36 I H . 51940 1
166 . 1 . 1 36 36 ILE C C 13 175.40700530178 . . . . . . . . 36 I C . 51940 1
167 . 1 . 1 36 36 ILE CA C 13 60.780764172785 . . . . . . . . 36 I CA . 51940 1
168 . 1 . 1 36 36 ILE CB C 13 38.4621356232091 . . . . . . . . 36 I CB . 51940 1
169 . 1 . 1 36 36 ILE N N 15 120.026551055104 . . . . . . . . 36 I N . 51940 1
170 . 1 . 1 37 37 PHE H H 1 8.33818802131987 . . . . . . . . 37 F H . 51940 1
171 . 1 . 1 37 37 PHE C C 13 173.429412082407 . . . . . . . . 37 F C . 51940 1
172 . 1 . 1 37 37 PHE CA C 13 55.3074281848967 . . . . . . . . 37 F CA . 51940 1
173 . 1 . 1 37 37 PHE CB C 13 38.6637784522026 . . . . . . . . 37 F CB . 51940 1
174 . 1 . 1 37 37 PHE N N 15 125.038084465046 . . . . . . . . 37 F N . 51940 1
175 . 1 . 1 38 38 PRO C C 13 176.681533124867 . . . . . . . . 38 P C . 51940 1
176 . 1 . 1 38 38 PRO CA C 13 62.2818412482738 . . . . . . . . 38 P CA . 51940 1
177 . 1 . 1 38 38 PRO CB C 13 31.58524094522 . . . . . . . . 38 P CB . 51940 1
178 . 1 . 1 39 39 VAL H H 1 8.35333802718886 . . . . . . . . 39 V H . 51940 1
179 . 1 . 1 39 39 VAL C C 13 176.197863506722 . . . . . . . . 39 V C . 51940 1
180 . 1 . 1 39 39 VAL CA C 13 62.4107229784131 . . . . . . . . 39 V CA . 51940 1
181 . 1 . 1 39 39 VAL CB C 13 32.4404060989618 . . . . . . . . 39 V CB . 51940 1
182 . 1 . 1 39 39 VAL N N 15 121.312270332203 . . . . . . . . 39 V N . 51940 1
183 . 1 . 1 40 40 GLN H H 1 8.599248756127 . . . . . . . . 40 Q H . 51940 1
184 . 1 . 1 40 40 GLN C C 13 175.607502061046 . . . . . . . . 40 Q C . 51940 1
185 . 1 . 1 40 40 GLN CA C 13 55.3710478665307 . . . . . . . . 40 Q CA . 51940 1
186 . 1 . 1 40 40 GLN CB C 13 29.349828235805 . . . . . . . . 40 Q CB . 51940 1
187 . 1 . 1 40 40 GLN N N 15 124.823333609702 . . . . . . . . 40 Q N . 51940 1
188 . 1 . 1 41 41 GLU H H 1 8.60474703671244 . . . . . . . . 41 E H . 51940 1
189 . 1 . 1 41 41 GLU C C 13 176.04909355716 . . . . . . . . 41 E C . 51940 1
190 . 1 . 1 41 41 GLU CA C 13 56.2778000080337 . . . . . . . . 41 E CA . 51940 1
191 . 1 . 1 41 41 GLU CB C 13 30.2280510974427 . . . . . . . . 41 E CB . 51940 1
192 . 1 . 1 41 41 GLU N N 15 123.626535428997 . . . . . . . . 41 E N . 51940 1
193 . 1 . 1 42 42 LYS H H 1 8.49091374897786 . . . . . . . . 42 K H . 51940 1
194 . 1 . 1 42 42 LYS C C 13 175.768237954575 . . . . . . . . 42 K C . 51940 1
195 . 1 . 1 42 42 LYS CA C 13 55.9342678363125 . . . . . . . . 42 K CA . 51940 1
196 . 1 . 1 42 42 LYS CB C 13 31.7515371739864 . . . . . . . . 42 K CB . 51940 1
197 . 1 . 1 42 42 LYS N N 15 122.966054331162 . . . . . . . . 42 K N . 51940 1
198 . 1 . 1 43 43 ASN H H 1 8.63418583828186 . . . . . . . . 43 N H . 51940 1
199 . 1 . 1 43 43 ASN C C 13 174.725569426186 . . . . . . . . 43 N C . 51940 1
200 . 1 . 1 43 43 ASN CA C 13 53.1442980840802 . . . . . . . . 43 N CA . 51940 1
201 . 1 . 1 43 43 ASN CB C 13 38.5435407534241 . . . . . . . . 43 N CB . 51940 1
202 . 1 . 1 43 43 ASN N N 15 119.975471660302 . . . . . . . . 43 N N . 51940 1
203 . 1 . 1 44 44 HIS H H 1 8.52968684278101 . . . . . . . . 44 H H . 51940 1
204 . 1 . 1 44 44 HIS C C 13 173.995557713891 . . . . . . . . 44 H C . 51940 1
205 . 1 . 1 44 44 HIS CA C 13 55.2470937715843 . . . . . . . . 44 H CA . 51940 1
206 . 1 . 1 44 44 HIS CB C 13 29.3167514950037 . . . . . . . . 44 H CB . 51940 1
207 . 1 . 1 44 44 HIS N N 15 119.187604253151 . . . . . . . . 44 H N . 51940 1
208 . 1 . 1 45 45 TPO H H 1 9.17562685551264 . . . . . . . . 45 TPO H . 51940 1
209 . 1 . 1 45 45 TPO C C 13 173.669275658774 . . . . . . . . 45 TPO C . 51940 1
210 . 1 . 1 45 45 TPO CA C 13 62.8566601742058 . . . . . . . . 45 TPO CA . 51940 1
211 . 1 . 1 45 45 TPO CB C 13 72.5231413766741 . . . . . . . . 45 TPO CB . 51940 1
212 . 1 . 1 45 45 TPO N N 15 120.012082602899 . . . . . . . . 45 TPO N . 51940 1
213 . 1 . 1 46 46 VAL H H 1 8.60523611107868 . . . . . . . . 46 V H . 51940 1
214 . 1 . 1 46 46 VAL C C 13 175.65013575052 . . . . . . . . 46 V C . 51940 1
215 . 1 . 1 46 46 VAL CA C 13 62.2880251696333 . . . . . . . . 46 V CA . 51940 1
216 . 1 . 1 46 46 VAL CB C 13 32.5248275175691 . . . . . . . . 46 V CB . 51940 1
217 . 1 . 1 46 46 VAL N N 15 126.579640615005 . . . . . . . . 46 V N . 51940 1
218 . 1 . 1 47 47 VAL H H 1 8.47432497349975 . . . . . . . . 47 V H . 51940 1
219 . 1 . 1 47 47 VAL C C 13 175.705202076222 . . . . . . . . 47 V C . 51940 1
220 . 1 . 1 47 47 VAL CA C 13 61.9388974905014 . . . . . . . . 47 V CA . 51940 1
221 . 1 . 1 47 47 VAL CB C 13 32.3750369399785 . . . . . . . . 47 V CB . 51940 1
222 . 1 . 1 47 47 VAL N N 15 126.356954811728 . . . . . . . . 47 V N . 51940 1
223 . 1 . 1 48 48 SER H H 1 8.59124888621705 . . . . . . . . 48 S H . 51940 1
224 . 1 . 1 48 48 SER C C 13 172.480648090235 . . . . . . . . 48 S C . 51940 1
225 . 1 . 1 48 48 SER CA C 13 56.6162474751472 . . . . . . . . 48 S CA . 51940 1
226 . 1 . 1 48 48 SER CB C 13 63.026279233396 . . . . . . . . 48 S CB . 51940 1
227 . 1 . 1 48 48 SER N N 15 122.214746128297 . . . . . . . . 48 S N . 51940 1
228 . 1 . 1 49 49 PRO C C 13 176.793667734239 . . . . . . . . 49 P C . 51940 1
229 . 1 . 1 49 49 PRO CA C 13 62.7493705712258 . . . . . . . . 49 P CA . 51940 1
230 . 1 . 1 49 49 PRO CB C 13 29.8294281028211 . . . . . . . . 49 P CB . 51940 1
231 . 1 . 1 50 50 ARG H H 1 8.34289332460739 . . . . . . . . 50 R H . 51940 1
232 . 1 . 1 50 50 ARG C C 13 176.770605832287 . . . . . . . . 50 R C . 51940 1
233 . 1 . 1 50 50 ARG CA C 13 55.6179398111999 . . . . . . . . 50 R CA . 51940 1
234 . 1 . 1 50 50 ARG CB C 13 29.6754110753536 . . . . . . . . 50 R CB . 51940 1
235 . 1 . 1 50 50 ARG N N 15 120.741187718305 . . . . . . . . 50 R N . 51940 1
236 . 1 . 1 51 51 ALA H H 1 8.27772544675749 . . . . . . . . 51 A H . 51940 1
237 . 1 . 1 51 51 ALA C C 13 177.823282655898 . . . . . . . . 51 A C . 51940 1
238 . 1 . 1 51 51 ALA CA C 13 52.655247092247 . . . . . . . . 51 A CA . 51940 1
239 . 1 . 1 51 51 ALA CB C 13 18.8567859046161 . . . . . . . . 51 A CB . 51940 1
240 . 1 . 1 51 51 ALA N N 15 124.524698041399 . . . . . . . . 51 A N . 51940 1
241 . 1 . 1 52 52 LEU H H 1 8.30641019507727 . . . . . . . . 52 L H . 51940 1
242 . 1 . 1 52 52 LEU C C 13 177.1125744639 . . . . . . . . 52 L C . 51940 1
243 . 1 . 1 52 52 LEU CA C 13 54.9518217667937 . . . . . . . . 52 L CA . 51940 1
244 . 1 . 1 52 52 LEU CB C 13 41.9394679926335 . . . . . . . . 52 L CB . 51940 1
245 . 1 . 1 52 52 LEU N N 15 122.977866203979 . . . . . . . . 52 L N . 51940 1
246 . 1 . 1 53 53 GLU H H 1 8.42638340263823 . . . . . . . . 53 E H . 51940 1
247 . 1 . 1 53 53 GLU C C 13 175.938478015001 . . . . . . . . 53 E C . 51940 1
248 . 1 . 1 53 53 GLU CA C 13 56.0290447538718 . . . . . . . . 53 E CA . 51940 1
249 . 1 . 1 53 53 GLU CB C 13 29.8318308899179 . . . . . . . . 53 E CB . 51940 1
250 . 1 . 1 53 53 GLU N N 15 121.746116584187 . . . . . . . . 53 E N . 51940 1
251 . 1 . 1 54 54 LEU H H 1 8.32000085228356 . . . . . . . . 54 L H . 51940 1
252 . 1 . 1 54 54 LEU C C 13 177.105153238401 . . . . . . . . 54 L C . 51940 1
253 . 1 . 1 54 54 LEU CA C 13 54.7707222774624 . . . . . . . . 54 L CA . 51940 1
254 . 1 . 1 54 54 LEU CB C 13 42.0976347774267 . . . . . . . . 54 L CB . 51940 1
255 . 1 . 1 54 54 LEU N N 15 123.291835391133 . . . . . . . . 54 L N . 51940 1
256 . 1 . 1 55 55 SEP H H 1 8.53658317760776 . . . . . . . . 55 SEP H . 51940 1
257 . 1 . 1 55 55 SEP C C 13 173.962099983116 . . . . . . . . 55 SEP C . 51940 1
258 . 1 . 1 55 55 SEP CA C 13 57.5200960282236 . . . . . . . . 55 SEP CA . 51940 1
259 . 1 . 1 55 55 SEP CB C 13 65.002381970485 . . . . . . . . 55 SEP CB . 51940 1
260 . 1 . 1 55 55 SEP N N 15 117.161095650657 . . . . . . . . 55 SEP N . 51940 1
261 . 1 . 1 56 56 ASP H H 1 8.43483318997169 . . . . . . . . 56 D H . 51940 1
262 . 1 . 1 56 56 ASP C C 13 174.165971520926 . . . . . . . . 56 D C . 51940 1
263 . 1 . 1 56 56 ASP CA C 13 52.1855446994305 . . . . . . . . 56 D CA . 51940 1
264 . 1 . 1 56 56 ASP CB C 13 40.7237959131598 . . . . . . . . 56 D CB . 51940 1
265 . 1 . 1 56 56 ASP N N 15 123.268337796191 . . . . . . . . 56 D N . 51940 1
266 . 1 . 1 57 57 PRO C C 13 176.757623639527 . . . . . . . . 57 P C . 51940 1
267 . 1 . 1 57 57 PRO CA C 13 62.8310669735074 . . . . . . . . 57 P CA . 51940 1
268 . 1 . 1 57 57 PRO CB C 13 31.5526388511062 . . . . . . . . 57 P CB . 51940 1
269 . 1 . 1 58 58 VAL H H 1 8.35606242590681 . . . . . . . . 58 V H . 51940 1
270 . 1 . 1 58 58 VAL C C 13 176.287742487724 . . . . . . . . 58 V C . 51940 1
271 . 1 . 1 58 58 VAL CA C 13 62.5160654261708 . . . . . . . . 58 V CA . 51940 1
272 . 1 . 1 58 58 VAL CB C 13 32.1608827747404 . . . . . . . . 58 V CB . 51940 1
273 . 1 . 1 58 58 VAL N N 15 121.005755281658 . . . . . . . . 58 V N . 51940 1
274 . 1 . 1 59 59 LEU H H 1 8.30330470583693 . . . . . . . . 59 L H . 51940 1
275 . 1 . 1 59 59 LEU C C 13 176.712151269998 . . . . . . . . 59 L C . 51940 1
276 . 1 . 1 59 59 LEU CA C 13 54.6473931949585 . . . . . . . . 59 L CA . 51940 1
277 . 1 . 1 59 59 LEU CB C 13 41.8975869975984 . . . . . . . . 59 L CB . 51940 1
278 . 1 . 1 59 59 LEU N N 15 125.846917281921 . . . . . . . . 59 L N . 51940 1
279 . 1 . 1 60 60 ASP H H 1 8.33391770170108 . . . . . . . . 60 D H . 51940 1
280 . 1 . 1 60 60 ASP C C 13 176.079251831682 . . . . . . . . 60 D C . 51940 1
281 . 1 . 1 60 60 ASP CA C 13 54.0128067091107 . . . . . . . . 60 D CA . 51940 1
282 . 1 . 1 60 60 ASP CB C 13 40.8992271237075 . . . . . . . . 60 D CB . 51940 1
283 . 1 . 1 60 60 ASP N N 15 121.583847883315 . . . . . . . . 60 D N . 51940 1
284 . 1 . 1 61 61 GLU H H 1 8.46488933799964 . . . . . . . . 61 E H . 51940 1
285 . 1 . 1 61 61 GLU C C 13 176.216107514325 . . . . . . . . 61 E C . 51940 1
286 . 1 . 1 61 61 GLU CA C 13 56.6103633986786 . . . . . . . . 61 E CA . 51940 1
287 . 1 . 1 61 61 GLU CB C 13 29.6448795078322 . . . . . . . . 61 E CB . 51940 1
288 . 1 . 1 61 61 GLU N N 15 121.779767906102 . . . . . . . . 61 E N . 51940 1
289 . 1 . 1 62 62 HIS H H 1 8.56761851173239 . . . . . . . . 62 H H . 51940 1
290 . 1 . 1 62 62 HIS C C 13 174.166347945213 . . . . . . . . 62 H C . 51940 1
291 . 1 . 1 62 62 HIS CA C 13 55.5603201882913 . . . . . . . . 62 H CA . 51940 1
292 . 1 . 1 62 62 HIS CB C 13 28.8211440630257 . . . . . . . . 62 H CB . 51940 1
293 . 1 . 1 62 62 HIS N N 15 118.6866616768 . . . . . . . . 62 H N . 51940 1
294 . 1 . 1 63 63 HIS H H 1 8.54097604938151 . . . . . . . . 63 H H . 51940 1
295 . 1 . 1 63 63 HIS C C 13 174.22242594055 . . . . . . . . 63 H C . 51940 1
296 . 1 . 1 63 63 HIS CA C 13 48.7391331944382 . . . . . . . . 63 H CA . 51940 1
297 . 1 . 1 63 63 HIS CB C 13 29.1843907162547 . . . . . . . . 63 H CB . 51940 1
298 . 1 . 1 63 63 HIS N N 15 120.058988536877 . . . . . . . . 63 H N . 51940 1
299 . 1 . 1 64 64 GLN H H 1 8.67397478324025 . . . . . . . . 64 Q H . 51940 1
300 . 1 . 1 64 64 GLN C C 13 176.227618273451 . . . . . . . . 64 Q C . 51940 1
301 . 1 . 1 64 64 GLN CA C 13 49.3124841544777 . . . . . . . . 64 Q CA . 51940 1
302 . 1 . 1 64 64 GLN CB C 13 29.2277921289206 . . . . . . . . 64 Q CB . 51940 1
303 . 1 . 1 64 64 GLN N N 15 122.414711071526 . . . . . . . . 64 Q N . 51940 1
304 . 1 . 1 65 65 GLY H H 1 8.66356174459893 . . . . . . . . 65 G H . 51940 1
305 . 1 . 1 65 65 GLY C C 13 173.869796044762 . . . . . . . . 65 G C . 51940 1
306 . 1 . 1 65 65 GLY CA C 13 45.0525860115885 . . . . . . . . 65 G CA . 51940 1
307 . 1 . 1 65 65 GLY N N 15 110.883579167701 . . . . . . . . 65 G N . 51940 1
308 . 1 . 1 66 66 ASP H H 1 8.3393431337276 . . . . . . . . 66 D H . 51940 1
309 . 1 . 1 66 66 ASP C C 13 176.479717991884 . . . . . . . . 66 D C . 51940 1
310 . 1 . 1 66 66 ASP CA C 13 53.9583279103972 . . . . . . . . 66 D CA . 51940 1
311 . 1 . 1 66 66 ASP CB C 13 40.8412192286923 . . . . . . . . 66 D CB . 51940 1
312 . 1 . 1 66 66 ASP N N 15 120.505883649196 . . . . . . . . 66 D N . 51940 1
313 . 1 . 1 67 67 GLN H H 1 8.55230145370784 . . . . . . . . 67 Q H . 51940 1
314 . 1 . 1 67 67 GLN C C 13 175.721696161303 . . . . . . . . 67 Q C . 51940 1
315 . 1 . 1 67 67 GLN CA C 13 55.7664653010666 . . . . . . . . 67 Q CA . 51940 1
316 . 1 . 1 67 67 GLN CB C 13 29.018063627649 . . . . . . . . 67 Q CB . 51940 1
317 . 1 . 1 67 67 GLN N N 15 120.373318500455 . . . . . . . . 67 Q N . 51940 1
318 . 1 . 1 68 68 ASP H H 1 8.45868455686004 . . . . . . . . 68 D H . 51940 1
319 . 1 . 1 68 68 ASP C C 13 176.573015027317 . . . . . . . . 68 D C . 51940 1
320 . 1 . 1 68 68 ASP CA C 13 54.3271684078499 . . . . . . . . 68 D CA . 51940 1
321 . 1 . 1 68 68 ASP CB C 13 40.9906957447529 . . . . . . . . 68 D CB . 51940 1
322 . 1 . 1 68 68 ASP N N 15 121.514530214807 . . . . . . . . 68 D N . 51940 1
323 . 1 . 1 69 69 GLY H H 1 8.49656096910502 . . . . . . . . 69 G H . 51940 1
324 . 1 . 1 69 69 GLY C C 13 174.777902273565 . . . . . . . . 69 G C . 51940 1
325 . 1 . 1 69 69 GLY CA C 13 45.27298776526 . . . . . . . . 69 G CA . 51940 1
326 . 1 . 1 69 69 GLY N N 15 109.828152561996 . . . . . . . . 69 G N . 51940 1
327 . 1 . 1 70 70 GLY H H 1 8.41417344802525 . . . . . . . . 70 G H . 51940 1
328 . 1 . 1 70 70 GLY C C 13 173.9443397062 . . . . . . . . 70 G C . 51940 1
329 . 1 . 1 70 70 GLY CA C 13 45.0188670058269 . . . . . . . . 70 G CA . 51940 1
330 . 1 . 1 70 70 GLY N N 15 109.040020151098 . . . . . . . . 70 G N . 51940 1
331 . 1 . 1 71 71 ASP H H 1 8.45018160329882 . . . . . . . . 71 D H . 51940 1
332 . 1 . 1 71 71 ASP C C 13 176.460449805121 . . . . . . . . 71 D C . 51940 1
333 . 1 . 1 71 71 ASP CA C 13 54.2919231709093 . . . . . . . . 71 D CA . 51940 1
334 . 1 . 1 71 71 ASP CB C 13 40.8049064278602 . . . . . . . . 71 D CB . 51940 1
335 . 1 . 1 71 71 ASP N N 15 120.450594048997 . . . . . . . . 71 D N . 51940 1
336 . 1 . 1 72 72 GLN H H 1 8.51578704550798 . . . . . . . . 72 Q H . 51940 1
337 . 1 . 1 72 72 GLN C C 13 176.084102791682 . . . . . . . . 72 Q C . 51940 1
338 . 1 . 1 72 72 GLN CA C 13 55.8689359679818 . . . . . . . . 72 Q CA . 51940 1
339 . 1 . 1 72 72 GLN CB C 13 29.36091035977 . . . . . . . . 72 Q CB . 51940 1
340 . 1 . 1 72 72 GLN N N 15 120.481827945402 . . . . . . . . 72 Q N . 51940 1
341 . 1 . 1 73 73 ASP H H 1 8.43174774106349 . . . . . . . . 73 D H . 51940 1
342 . 1 . 1 73 73 ASP C C 13 176.410662924509 . . . . . . . . 73 D C . 51940 1
343 . 1 . 1 73 73 ASP CA C 13 54.2965411446989 . . . . . . . . 73 D CA . 51940 1
344 . 1 . 1 73 73 ASP CB C 13 40.7867388473823 . . . . . . . . 73 D CB . 51940 1
345 . 1 . 1 73 73 ASP N N 15 121.503306757141 . . . . . . . . 73 D N . 51940 1
346 . 1 . 1 74 74 GLU H H 1 8.48778916055545 . . . . . . . . 74 E H . 51940 1
347 . 1 . 1 74 74 GLU C C 13 176.704908300941 . . . . . . . . 74 E C . 51940 1
348 . 1 . 1 74 74 GLU CA C 13 56.5796049647033 . . . . . . . . 74 E CA . 51940 1
349 . 1 . 1 74 74 GLU CB C 13 29.5804619044065 . . . . . . . . 74 E CB . 51940 1
350 . 1 . 1 74 74 GLU N N 15 122.07562503658 . . . . . . . . 74 E N . 51940 1
351 . 1 . 1 75 75 ARG H H 1 8.37415104527026 . . . . . . . . 75 R H . 51940 1
352 . 1 . 1 75 75 ARG C C 13 176.858532709639 . . . . . . . . 75 R C . 51940 1
353 . 1 . 1 75 75 ARG CA C 13 56.7302392655983 . . . . . . . . 75 R CA . 51940 1
354 . 1 . 1 75 75 ARG CB C 13 29.9778036829084 . . . . . . . . 75 R CB . 51940 1
355 . 1 . 1 75 75 ARG N N 15 122.349556227034 . . . . . . . . 75 R N . 51940 1
356 . 1 . 1 76 76 ALA C C 13 178.051046534545 . . . . . . . . 76 A C . 51940 1
357 . 1 . 1 77 77 GLU H H 1 8.39895669345812 . . . . . . . . 77 E H . 51940 1
358 . 1 . 1 77 77 GLU C C 13 176.924616102698 . . . . . . . . 77 E C . 51940 1
359 . 1 . 1 77 77 GLU CA C 13 56.6157673932612 . . . . . . . . 77 E CA . 51940 1
360 . 1 . 1 77 77 GLU CB C 13 29.5538709620014 . . . . . . . . 77 E CB . 51940 1
361 . 1 . 1 77 77 GLU N N 15 119.985419918103 . . . . . . . . 77 E N . 51940 1
362 . 1 . 1 78 78 LYS H H 1 8.35254593340602 . . . . . . . . 78 K H . 51940 1
363 . 1 . 1 78 78 LYS C C 13 177.228264376159 . . . . . . . . 78 K C . 51940 1
364 . 1 . 1 78 78 LYS CA C 13 56.5477208979427 . . . . . . . . 78 K CA . 51940 1
365 . 1 . 1 78 78 LYS CB C 13 32.2803490199149 . . . . . . . . 78 K CB . 51940 1
366 . 1 . 1 78 78 LYS N N 15 121.358512230916 . . . . . . . . 78 K N . 51940 1
367 . 1 . 1 79 79 SER H H 1 8.28015491877628 . . . . . . . . 79 S H . 51940 1
368 . 1 . 1 79 79 SER C C 13 174.797045022818 . . . . . . . . 79 S C . 51940 1
369 . 1 . 1 79 79 SER CA C 13 58.8346524648368 . . . . . . . . 79 S CA . 51940 1
370 . 1 . 1 79 79 SER CB C 13 63.1868728473782 . . . . . . . . 79 S CB . 51940 1
371 . 1 . 1 79 79 SER N N 15 115.984812214472 . . . . . . . . 79 S N . 51940 1
372 . 1 . 1 80 80 LYS H H 1 8.2374163464384 . . . . . . . . 80 K H . 51940 1
373 . 1 . 1 80 80 LYS C C 13 176.053964729059 . . . . . . . . 80 K C . 51940 1
374 . 1 . 1 80 80 LYS CA C 13 56.6736639738082 . . . . . . . . 80 K CA . 51940 1
375 . 1 . 1 80 80 LYS CB C 13 32.4962844796387 . . . . . . . . 80 K CB . 51940 1
376 . 1 . 1 80 80 LYS N N 15 122.875497264151 . . . . . . . . 80 K N . 51940 1
377 . 1 . 1 81 81 LEU H H 1 8.27902542558732 . . . . . . . . 81 L H . 51940 1
378 . 1 . 1 81 81 LEU C C 13 177.623603709611 . . . . . . . . 81 L C . 51940 1
379 . 1 . 1 81 81 LEU CA C 13 55.2324491851031 . . . . . . . . 81 L CA . 51940 1
380 . 1 . 1 81 81 LEU CB C 13 41.7735485583543 . . . . . . . . 81 L CB . 51940 1
381 . 1 . 1 81 81 LEU N N 15 122.292904852917 . . . . . . . . 81 L N . 51940 1
382 . 1 . 1 82 82 THR H H 1 8.11186459819246 . . . . . . . . 82 T H . 51940 1
383 . 1 . 1 82 82 THR CA C 13 61.8597850352525 . . . . . . . . 82 T CA . 51940 1
384 . 1 . 1 82 82 THR CB C 13 69.7701792940497 . . . . . . . . 82 T CB . 51940 1
385 . 1 . 1 82 82 THR N N 15 113.957033537203 . . . . . . . . 82 T N . 51940 1
386 . 1 . 1 83 83 GLY H H 1 8.47268590501944 . . . . . . . . 83 G H . 51940 1
387 . 1 . 1 83 83 GLY C C 13 174.388989676359 . . . . . . . . 83 G C . 51940 1
388 . 1 . 1 83 83 GLY CA C 13 45.2032893970608 . . . . . . . . 83 G CA . 51940 1
389 . 1 . 1 83 83 GLY N N 15 111.058528424595 . . . . . . . . 83 G N . 51940 1
390 . 1 . 1 84 84 THR H H 1 8.19426532188788 . . . . . . . . 84 T H . 51940 1
391 . 1 . 1 84 84 THR C C 13 174.562264005291 . . . . . . . . 84 T C . 51940 1
392 . 1 . 1 84 84 THR CA C 13 61.799244724214 . . . . . . . . 84 T CA . 51940 1
393 . 1 . 1 84 84 THR CB C 13 69.6668011583387 . . . . . . . . 84 T CB . 51940 1
394 . 1 . 1 84 84 THR N N 15 113.979358909304 . . . . . . . . 84 T N . 51940 1
395 . 1 . 1 85 85 ARG H H 1 8.49820370171213 . . . . . . . . 85 R H . 51940 1
396 . 1 . 1 85 85 ARG C C 13 176.017644586611 . . . . . . . . 85 R C . 51940 1
397 . 1 . 1 85 85 ARG CA C 13 55.9884533733129 . . . . . . . . 85 R CA . 51940 1
398 . 1 . 1 85 85 ARG CB C 13 30.3726333677768 . . . . . . . . 85 R CB . 51940 1
399 . 1 . 1 85 85 ARG N N 15 123.530606013199 . . . . . . . . 85 R N . 51940 1
400 . 1 . 1 86 86 GLN H H 1 8.5122402416373 . . . . . . . . 86 Q H . 51940 1
401 . 1 . 1 86 86 GLN C C 13 175.992393352661 . . . . . . . . 86 Q C . 51940 1
402 . 1 . 1 86 86 GLN CA C 13 55.6592842936515 . . . . . . . . 86 Q CA . 51940 1
403 . 1 . 1 86 86 GLN CB C 13 29.1247752606869 . . . . . . . . 86 Q CB . 51940 1
404 . 1 . 1 86 86 GLN N N 15 121.403111530218 . . . . . . . . 86 Q N . 51940 1
405 . 1 . 1 87 87 ASN H H 1 8.55225523126428 . . . . . . . . 87 N H . 51940 1
406 . 1 . 1 87 87 ASN C C 13 174.812735348578 . . . . . . . . 87 N C . 51940 1
407 . 1 . 1 87 87 ASN CA C 13 52.9987546093761 . . . . . . . . 87 N CA . 51940 1
408 . 1 . 1 87 87 ASN CB C 13 38.5710263475775 . . . . . . . . 87 N CB . 51940 1
409 . 1 . 1 87 87 ASN N N 15 119.991408691043 . . . . . . . . 87 N N . 51940 1
410 . 1 . 1 88 88 HIS H H 1 8.54662306710452 . . . . . . . . 88 H H . 51940 1
411 . 1 . 1 88 88 HIS C C 13 174.302491847064 . . . . . . . . 88 H C . 51940 1
412 . 1 . 1 88 88 HIS CA C 13 55.4571642056107 . . . . . . . . 88 H CA . 51940 1
413 . 1 . 1 88 88 HIS CB C 13 29.2125074435025 . . . . . . . . 88 H CB . 51940 1
414 . 1 . 1 88 88 HIS N N 15 119.109222279609 . . . . . . . . 88 H N . 51940 1
415 . 1 . 1 89 89 SEP H H 1 8.94413700892629 . . . . . . . . 89 SEP H . 51940 1
416 . 1 . 1 89 89 SEP C C 13 173.393609038192 . . . . . . . . 89 SEP C . 51940 1
417 . 1 . 1 89 89 SEP CA C 13 58.0249371659011 . . . . . . . . 89 SEP CA . 51940 1
418 . 1 . 1 89 89 SEP CB C 13 65.713486470282 . . . . . . . . 89 SEP CB . 51940 1
419 . 1 . 1 89 89 SEP N N 15 117.370480469192 . . . . . . . . 89 SEP N . 51940 1
420 . 1 . 1 90 90 PHE H H 1 8.29613855835229 . . . . . . . . 90 F H . 51940 1
421 . 1 . 1 90 90 PHE C C 13 174.920638360652 . . . . . . . . 90 F C . 51940 1
422 . 1 . 1 90 90 PHE CA C 13 57.7800675742328 . . . . . . . . 90 F CA . 51940 1
423 . 1 . 1 90 90 PHE CB C 13 39.5583983138203 . . . . . . . . 90 F CB . 51940 1
424 . 1 . 1 90 90 PHE N N 15 122.255013305399 . . . . . . . . 90 F N . 51940 1
425 . 1 . 1 91 91 ILE H H 1 8.0446056929646 . . . . . . . . 91 I H . 51940 1
426 . 1 . 1 91 91 ILE C C 13 175.124642553377 . . . . . . . . 91 I C . 51940 1
427 . 1 . 1 91 91 ILE CA C 13 60.5281177833676 . . . . . . . . 91 I CA . 51940 1
428 . 1 . 1 91 91 ILE CB C 13 38.4857293963432 . . . . . . . . 91 I CB . 51940 1
429 . 1 . 1 91 91 ILE N N 15 123.723765573932 . . . . . . . . 91 I N . 51940 1
430 . 1 . 1 92 92 TRP H H 1 8.31596743257793 . . . . . . . . 92 W H . 51940 1
431 . 1 . 1 92 92 TRP C C 13 175.970187681365 . . . . . . . . 92 W C . 51940 1
432 . 1 . 1 92 92 TRP CA C 13 57.0774664785713 . . . . . . . . 92 W CA . 51940 1
433 . 1 . 1 92 92 TRP CB C 13 29.3095466569066 . . . . . . . . 92 W CB . 51940 1
434 . 1 . 1 92 92 TRP N N 15 126.295967291225 . . . . . . . . 92 W N . 51940 1
435 . 1 . 1 93 93 SER H H 1 8.25762707330264 . . . . . . . . 93 S H . 51940 1
436 . 1 . 1 93 93 SER C C 13 174.215997042704 . . . . . . . . 93 S C . 51940 1
437 . 1 . 1 93 93 SER CA C 13 58.1200744286179 . . . . . . . . 93 S CA . 51940 1
438 . 1 . 1 93 93 SER CB C 13 63.5664469003677 . . . . . . . . 93 S CB . 51940 1
439 . 1 . 1 93 93 SER N N 15 119.227336731002 . . . . . . . . 93 S N . 51940 1
440 . 1 . 1 94 94 GLY H H 1 10.2557064417537 . . . . . . . . 94 G H . 51940 1
441 . 1 . 1 94 94 GLY C C 13 173.253169044205 . . . . . . . . 94 G C . 51940 1
442 . 1 . 1 94 94 GLY CA C 13 44.7604155316948 . . . . . . . . 94 G CA . 51940 1
443 . 1 . 1 94 94 GLY N N 15 108.91878656393 . . . . . . . . 94 G N . 51940 1
444 . 1 . 1 95 95 ALA H H 1 8.0976330588338 . . . . . . . . 95 A H . 51940 1
445 . 1 . 1 95 95 ALA C C 13 177.714688668597 . . . . . . . . 95 A C . 51940 1
446 . 1 . 1 95 95 ALA CA C 13 52.1993847191333 . . . . . . . . 95 A CA . 51940 1
447 . 1 . 1 95 95 ALA CB C 13 19.1660687923431 . . . . . . . . 95 A CB . 51940 1
448 . 1 . 1 95 95 ALA N N 15 123.474994627108 . . . . . . . . 95 A N . 51940 1
449 . 1 . 1 96 96 SEP H H 1 8.83220633299916 . . . . . . . . 96 SEP H . 51940 1
450 . 1 . 1 96 96 SEP C C 13 173.789361861172 . . . . . . . . 96 SEP C . 51940 1
451 . 1 . 1 96 96 SEP CA C 13 57.6409119181334 . . . . . . . . 96 SEP CA . 51940 1
452 . 1 . 1 96 96 SEP CB C 13 65.7448851130902 . . . . . . . . 96 SEP CB . 51940 1
453 . 1 . 1 96 96 SEP N N 15 116.004215580504 . . . . . . . . 96 SEP N . 51940 1
454 . 1 . 1 97 97 PHE H H 1 8.08942033628027 . . . . . . . . 97 F H . 51940 1
455 . 1 . 1 97 97 PHE C C 13 174.857837854522 . . . . . . . . 97 F C . 51940 1
456 . 1 . 1 97 97 PHE CA C 13 57.5034164162352 . . . . . . . . 97 F CA . 51940 1
457 . 1 . 1 97 97 PHE CB C 13 39.5212919395416 . . . . . . . . 97 F CB . 51940 1
458 . 1 . 1 97 97 PHE N N 15 121.160462751701 . . . . . . . . 97 F N . 51940 1
459 . 1 . 1 98 98 ASP H H 1 8.22627666949605 . . . . . . . . 98 D H . 51940 1
460 . 1 . 1 98 98 ASP C C 13 175.585858011256 . . . . . . . . 98 D C . 51940 1
461 . 1 . 1 98 98 ASP CA C 13 53.9006573371589 . . . . . . . . 98 D CA . 51940 1
462 . 1 . 1 98 98 ASP CB C 13 40.9150207145139 . . . . . . . . 98 D CB . 51940 1
463 . 1 . 1 98 98 ASP N N 15 122.10564597413 . . . . . . . . 98 D N . 51940 1
464 . 1 . 1 99 99 LEU H H 1 8.21063863246729 . . . . . . . . 99 L H . 51940 1
465 . 1 . 1 99 99 LEU C C 13 177.128787566546 . . . . . . . . 99 L C . 51940 1
466 . 1 . 1 99 99 LEU CA C 13 54.8316892264411 . . . . . . . . 99 L CA . 51940 1
467 . 1 . 1 99 99 LEU CB C 13 41.9677916802465 . . . . . . . . 99 L CB . 51940 1
468 . 1 . 1 99 99 LEU N N 15 122.973150323496 . . . . . . . . 99 L N . 51940 1
469 . 1 . 1 100 100 SER H H 1 8.35172011598729 . . . . . . . . 100 S H . 51940 1
470 . 1 . 1 100 100 SER C C 13 172.704736041474 . . . . . . . . 100 S C . 51940 1
471 . 1 . 1 100 100 SER CA C 13 56.6368661522865 . . . . . . . . 100 S CA . 51940 1
472 . 1 . 1 100 100 SER CB C 13 62.7707343250513 . . . . . . . . 100 S CB . 51940 1
473 . 1 . 1 100 100 SER N N 15 118.087936404703 . . . . . . . . 100 S N . 51940 1
474 . 1 . 1 101 101 PRO C C 13 177.719459634843 . . . . . . . . 101 P C . 51940 1
475 . 1 . 1 101 101 PRO CA C 13 63.793972518295 . . . . . . . . 101 P CA . 51940 1
476 . 1 . 1 101 101 PRO CB C 13 31.6219810247421 . . . . . . . . 101 P CB . 51940 1
477 . 1 . 1 102 102 GLY H H 1 8.48613693297851 . . . . . . . . 102 G H . 51940 1
478 . 1 . 1 102 102 GLY C C 13 174.335390838432 . . . . . . . . 102 G C . 51940 1
479 . 1 . 1 102 102 GLY CA C 13 45.2754841186106 . . . . . . . . 102 G CA . 51940 1
480 . 1 . 1 102 102 GLY N N 15 108.358704477099 . . . . . . . . 102 G N . 51940 1
481 . 1 . 1 103 103 LEU H H 1 7.97275403149881 . . . . . . . . 103 L H . 51940 1
482 . 1 . 1 103 103 LEU C C 13 177.435395465802 . . . . . . . . 103 L C . 51940 1
483 . 1 . 1 103 103 LEU CA C 13 51.9797761740628 . . . . . . . . 103 L CA . 51940 1
484 . 1 . 1 103 103 LEU CB C 13 41.9528243690729 . . . . . . . . 103 L CB . 51940 1
485 . 1 . 1 103 103 LEU N N 15 121.597768021664 . . . . . . . . 103 L N . 51940 1
486 . 1 . 1 104 104 GLN H H 1 8.39669349694563 . . . . . . . . 104 Q H . 51940 1
487 . 1 . 1 104 104 GLN C C 13 175.790599678281 . . . . . . . . 104 Q C . 51940 1
488 . 1 . 1 104 104 GLN CA C 13 56.0003472901881 . . . . . . . . 104 Q CA . 51940 1
489 . 1 . 1 104 104 GLN CB C 13 29.0795915164053 . . . . . . . . 104 Q CB . 51940 1
490 . 1 . 1 104 104 GLN N N 15 120.866762814297 . . . . . . . . 104 Q N . 51940 1
491 . 1 . 1 105 105 ARG H H 1 8.30546279394378 . . . . . . . . 105 R H . 51940 1
492 . 1 . 1 105 105 ARG C C 13 176.227247091579 . . . . . . . . 105 R C . 51940 1
493 . 1 . 1 105 105 ARG CA C 13 56.201456126757 . . . . . . . . 105 R CA . 51940 1
494 . 1 . 1 105 105 ARG CB C 13 30.5677824001759 . . . . . . . . 105 R CB . 51940 1
495 . 1 . 1 105 105 ARG N N 15 121.83428027248 . . . . . . . . 105 R N . 51940 1
496 . 1 . 1 106 106 ILE H H 1 8.18863594833087 . . . . . . . . 106 I H . 51940 1
497 . 1 . 1 106 106 ILE C C 13 176.38595864839 . . . . . . . . 106 I C . 51940 1
498 . 1 . 1 106 106 ILE CA C 13 61.3676225729286 . . . . . . . . 106 I CA . 51940 1
499 . 1 . 1 106 106 ILE CB C 13 38.0545095670968 . . . . . . . . 106 I CB . 51940 1
500 . 1 . 1 106 106 ILE N N 15 122.577250118647 . . . . . . . . 106 I N . 51940 1
501 . 1 . 1 107 107 LEU H H 1 8.36599216739499 . . . . . . . . 107 L H . 51940 1
502 . 1 . 1 107 107 LEU C C 13 177.046759328443 . . . . . . . . 107 L C . 51940 1
503 . 1 . 1 107 107 LEU CA C 13 55.1767584718763 . . . . . . . . 107 L CA . 51940 1
504 . 1 . 1 107 107 LEU CB C 13 41.6453396491706 . . . . . . . . 107 L CB . 51940 1
505 . 1 . 1 107 107 LEU N N 15 125.946211834093 . . . . . . . . 107 L N . 51940 1
506 . 1 . 1 108 108 ASP H H 1 8.3077975095599 . . . . . . . . 108 D H . 51940 1
507 . 1 . 1 108 108 ASP C C 13 177.788360233056 . . . . . . . . 108 D C . 51940 1
508 . 1 . 1 108 108 ASP CA C 13 54.3284728783182 . . . . . . . . 108 D CA . 51940 1
509 . 1 . 1 108 108 ASP CB C 13 41.2825497724116 . . . . . . . . 108 D CB . 51940 1
510 . 1 . 1 108 108 ASP N N 15 121.256278327317 . . . . . . . . 108 D N . 51940 1
511 . 1 . 1 110 110 VAL H H 1 8.23823509065393 . . . . . . . . 110 V H . 51940 1
512 . 1 . 1 110 110 VAL C C 13 176.163428599584 . . . . . . . . 110 V C . 51940 1
513 . 1 . 1 110 110 VAL CA C 13 62.1580443261191 . . . . . . . . 110 V CA . 51940 1
514 . 1 . 1 110 110 VAL CB C 13 31.8568498194218 . . . . . . . . 110 V CB . 51940 1
515 . 1 . 1 110 110 VAL N N 15 121.459267113495 . . . . . . . . 110 V N . 51940 1
516 . 1 . 1 111 111 SER H H 1 8.48512180707269 . . . . . . . . 111 S H . 51940 1
517 . 1 . 1 111 111 SER C C 13 173.874882121208 . . . . . . . . 111 S C . 51940 1
518 . 1 . 1 111 111 SER CA C 13 58.0405771899968 . . . . . . . . 111 S CA . 51940 1
519 . 1 . 1 111 111 SER CB C 13 63.5911790011451 . . . . . . . . 111 S CB . 51940 1
520 . 1 . 1 111 111 SER N N 15 120.003687412804 . . . . . . . . 111 S N . 51940 1
521 . 1 . 1 112 112 SER H H 1 8.45768029355967 . . . . . . . . 112 S H . 51940 1
522 . 1 . 1 112 112 SER C C 13 172.719711041647 . . . . . . . . 112 S C . 51940 1
523 . 1 . 1 112 112 SER CA C 13 56.221175737679 . . . . . . . . 112 S CA . 51940 1
524 . 1 . 1 112 112 SER CB C 13 63.3269166145473 . . . . . . . . 112 S CB . 51940 1
525 . 1 . 1 112 112 SER N N 15 119.193831978497 . . . . . . . . 112 S N . 51940 1
526 . 1 . 1 113 113 PRO C C 13 177.796778041507 . . . . . . . . 113 P C . 51940 1
527 . 1 . 1 113 113 PRO CA C 13 63.3824455030262 . . . . . . . . 113 P CA . 51940 1
528 . 1 . 1 113 113 PRO CB C 13 31.88246300444 . . . . . . . . 113 P CB . 51940 1
529 . 1 . 1 114 114 LEU H H 1 8.30736584533364 . . . . . . . . 114 L H . 51940 1
530 . 1 . 1 114 114 LEU C C 13 177.764350535167 . . . . . . . . 114 L C . 51940 1
531 . 1 . 1 114 114 LEU CA C 13 55.2529096668586 . . . . . . . . 114 L CA . 51940 1
532 . 1 . 1 114 114 LEU CB C 13 41.8447283385321 . . . . . . . . 114 L CB . 51940 1
533 . 1 . 1 114 114 LEU N N 15 121.445609824273 . . . . . . . . 114 L N . 51940 1
534 . 1 . 1 115 115 GLU H H 1 8.29373608671206 . . . . . . . . 115 E H . 51940 1
535 . 1 . 1 115 115 GLU C C 13 176.475 . . . . . . . . 115 E C . 51940 1
536 . 1 . 1 115 115 GLU CA C 13 56.8333618137985 . . . . . . . . 115 E CA . 51940 1
537 . 1 . 1 115 115 GLU CB C 13 29.5881924256682 . . . . . . . . 115 E CB . 51940 1
538 . 1 . 1 115 115 GLU N N 15 121.032343137866 . . . . . . . . 115 E N . 51940 1
539 . 1 . 1 116 116 ASN H H 1 8.42494115106274 . . . . . . . . 116 N H . 51940 1
540 . 1 . 1 116 116 ASN C C 13 176.882587472546 . . . . . . . . 116 N C . 51940 1
541 . 1 . 1 116 116 ASN CA C 13 53.3912066025659 . . . . . . . . 116 N CA . 51940 1
542 . 1 . 1 116 116 ASN CB C 13 38.4554453231394 . . . . . . . . 116 N CB . 51940 1
543 . 1 . 1 116 116 ASN N N 15 118.987366106668 . . . . . . . . 116 N N . 51940 1
544 . 1 . 1 117 117 GLU H H 1 8.11328142382899 . . . . . . . . 117 E H . 51940 1
545 . 1 . 1 117 117 GLU C C 13 140.346604787706 . . . . . . . . 117 E C . 51940 1
546 . 1 . 1 117 117 GLU CA C 13 56.5995907528947 . . . . . . . . 117 E CA . 51940 1
547 . 1 . 1 117 117 GLU CB C 13 32.3542450331151 . . . . . . . . 117 E CB . 51940 1
548 . 1 . 1 117 117 GLU N N 15 121.963956350335 . . . . . . . . 117 E N . 51940 1
549 . 1 . 1 118 118 LYS H H 1 8.22454522000335 . . . . . . . . 118 K H . 51940 1
550 . 1 . 1 118 118 LYS C C 13 177.617 . . . . . . . . 118 K C . 51940 1
551 . 1 . 1 118 118 LYS CB C 13 32.5894302967935 . . . . . . . . 118 K CB . 51940 1
552 . 1 . 1 118 118 LYS N N 15 121.621630791541 . . . . . . . . 118 K N . 51940 1
553 . 1 . 1 120 120 LYS H H 1 8.23283550782695 . . . . . . . . 120 K H . 51940 1
554 . 1 . 1 120 120 LYS C C 13 176.954940098907 . . . . . . . . 120 K C . 51940 1
555 . 1 . 1 120 120 LYS CA C 13 56.6342174969614 . . . . . . . . 120 K CA . 51940 1
556 . 1 . 1 120 120 LYS CB C 13 32.6777202319353 . . . . . . . . 120 K CB . 51940 1
557 . 1 . 1 120 120 LYS N N 15 121.655295740805 . . . . . . . . 120 K N . 51940 1
558 . 1 . 1 121 121 SER H H 1 8.28803946432708 . . . . . . . . 121 S H . 51940 1
559 . 1 . 1 121 121 SER C C 13 174.640877928584 . . . . . . . . 121 S C . 51940 1
560 . 1 . 1 121 121 SER CA C 13 58.6043711677194 . . . . . . . . 121 S CA . 51940 1
561 . 1 . 1 121 121 SER CB C 13 63.562264226377 . . . . . . . . 121 S CB . 51940 1
562 . 1 . 1 121 121 SER N N 15 116.522332817037 . . . . . . . . 121 S N . 51940 1
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