###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 52146
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name LssCD_assignment_dataset
_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
2 '3D CBCACONH' . . . 52146 1
3 '3D CBCA(CO)NH' . . . 52146 1
4 '3D HNCO' . . . 52146 1
5 '3D HN(CA)CO' . . . 52146 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 . . 52146 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 GLY H H 1 8.557025008 0 . . . . . . . 0 GLY H . 52146 1
2 . 1 . 1 2 2 GLY C C 13 172.9002646 0 . . . . . . . 0 GLY C . 52146 1
3 . 1 . 1 2 2 GLY CA C 13 46.11655292 0 . . . . . . . 0 GLY CA . 52146 1
4 . 1 . 1 2 2 GLY N N 15 112.0986278 0 . . . . . . . 0 GLY N . 52146 1
5 . 1 . 1 3 3 HIS H H 1 7.781779055 0 . . . . . . . 1 HIS H . 52146 1
6 . 1 . 1 3 3 HIS C C 13 171.9625205 0 . . . . . . . 1 HIS C . 52146 1
7 . 1 . 1 3 3 HIS CA C 13 53.22873153 0 . . . . . . . 1 HIS CA . 52146 1
8 . 1 . 1 3 3 HIS CB C 13 33.53346769 0 . . . . . . . 1 HIS CB . 52146 1
9 . 1 . 1 3 3 HIS N N 15 121.9893196 0 . . . . . . . 1 HIS N . 52146 1
10 . 1 . 1 4 4 GLU H H 1 7.898272827 0 . . . . . . . 2 GLU H . 52146 1
11 . 1 . 1 4 4 GLU C C 13 175.2446247 0 . . . . . . . 2 GLU C . 52146 1
12 . 1 . 1 4 4 GLU CA C 13 54.32291285 0 . . . . . . . 2 GLU CA . 52146 1
13 . 1 . 1 4 4 GLU CB C 13 28.06256107 0 . . . . . . . 2 GLU CB . 52146 1
14 . 1 . 1 4 4 GLU N N 15 124.9372974 0 . . . . . . . 2 GLU N . 52146 1
15 . 1 . 1 5 5 HIS H H 1 8.66828462 0 . . . . . . . 3 HIS H . 52146 1
16 . 1 . 1 5 5 HIS C C 13 173.9942993 0 . . . . . . . 3 HIS C . 52146 1
17 . 1 . 1 5 5 HIS CA C 13 53.22873153 0 . . . . . . . 3 HIS CA . 52146 1
18 . 1 . 1 5 5 HIS CB C 13 33.53346769 0 . . . . . . . 3 HIS CB . 52146 1
19 . 1 . 1 5 5 HIS N N 15 122.151178 0 . . . . . . . 3 HIS N . 52146 1
20 . 1 . 1 6 6 SER H H 1 9.291691451 0 . . . . . . . 4 SER H . 52146 1
21 . 1 . 1 6 6 SER C C 13 172.5876832 0 . . . . . . . 4 SER C . 52146 1
22 . 1 . 1 6 6 SER CA C 13 57.05836616 0 . . . . . . . 4 SER CA . 52146 1
23 . 1 . 1 6 6 SER CB C 13 63.07636345 0 . . . . . . . 4 SER CB . 52146 1
24 . 1 . 1 6 6 SER N N 15 120.134128 0 . . . . . . . 4 SER N . 52146 1
25 . 1 . 1 7 7 ALA H H 1 8.846242998 0 . . . . . . . 5 ALA H . 52146 1
26 . 1 . 1 7 7 ALA C C 13 177.9015662 0 . . . . . . . 5 ALA C . 52146 1
27 . 1 . 1 7 7 ALA CA C 13 50.49327822 0 . . . . . . . 5 ALA CA . 52146 1
28 . 1 . 1 7 7 ALA CB C 13 20.95038246 0 . . . . . . . 5 ALA CB . 52146 1
29 . 1 . 1 7 7 ALA N N 15 125.6102815 0 . . . . . . . 5 ALA N . 52146 1
30 . 1 . 1 10 10 LEU H H 1 8.39055766 0 . . . . . . . 8 LEU H . 52146 1
31 . 1 . 1 10 10 LEU C C 13 177.8973374 0 . . . . . . . 8 LEU C . 52146 1
32 . 1 . 1 10 10 LEU CA C 13 56.47773948 0 . . . . . . . 8 LEU CA . 52146 1
33 . 1 . 1 10 10 LEU CB C 13 40.66107522 0 . . . . . . . 8 LEU CB . 52146 1
34 . 1 . 1 10 10 LEU N N 15 119.913526 0 . . . . . . . 8 LEU N . 52146 1
35 . 1 . 1 11 11 ASN H H 1 7.655869183 0 . . . . . . . 9 ASN H . 52146 1
36 . 1 . 1 11 11 ASN C C 13 175.5572061 0 . . . . . . . 9 ASN C . 52146 1
37 . 1 . 1 11 11 ASN CA C 13 54.32291285 0 . . . . . . . 9 ASN CA . 52146 1
38 . 1 . 1 11 11 ASN CB C 13 37.36310232 0 . . . . . . . 9 ASN CB . 52146 1
39 . 1 . 1 11 11 ASN N N 15 115.2069184 0 . . . . . . . 9 ASN N . 52146 1
40 . 1 . 1 12 12 ASN H H 1 7.126035012 0 . . . . . . . 10 ASN H . 52146 1
41 . 1 . 1 12 12 ASN C C 13 173.5254273 0 . . . . . . . 10 ASN C . 52146 1
42 . 1 . 1 12 12 ASN CA C 13 53.22873153 0 . . . . . . . 10 ASN CA . 52146 1
43 . 1 . 1 12 12 ASN N N 15 114.5578002 0 . . . . . . . 10 ASN N . 52146 1
44 . 1 . 1 13 13 TYR H H 1 7.500020708 0 . . . . . . . 11 TYR H . 52146 1
45 . 1 . 1 13 13 TYR C C 13 174.3068807 0 . . . . . . . 11 TYR C . 52146 1
46 . 1 . 1 13 13 TYR CA C 13 57.60545682 0 . . . . . . . 11 TYR CA . 52146 1
47 . 1 . 1 13 13 TYR CB C 13 39.55146497 0 . . . . . . . 11 TYR CB . 52146 1
48 . 1 . 1 13 13 TYR N N 15 119.4504089 0 . . . . . . . 11 TYR N . 52146 1
49 . 1 . 1 14 14 LYS H H 1 9.057515199 0 . . . . . . . 12 LYS H . 52146 1
50 . 1 . 1 14 14 LYS C C 13 175.5572061 0 . . . . . . . 12 LYS C . 52146 1
51 . 1 . 1 14 14 LYS CA C 13 55.96418484 0 . . . . . . . 12 LYS CA . 52146 1
52 . 1 . 1 14 14 LYS CB C 13 32.98637703 0 . . . . . . . 12 LYS CB . 52146 1
53 . 1 . 1 14 14 LYS N N 15 123.5809874 0 . . . . . . . 12 LYS N . 52146 1
54 . 1 . 1 15 15 LYS H H 1 8.616375835 0 . . . . . . . 13 LYS H . 52146 1
55 . 1 . 1 15 15 LYS C C 13 177.5889849 0 . . . . . . . 13 LYS C . 52146 1
56 . 1 . 1 15 15 LYS N N 15 126.0387086 0 . . . . . . . 13 LYS N . 52146 1
57 . 1 . 1 16 16 GLY H H 1 8.07382649 0 . . . . . . . 14 GLY H . 52146 1
58 . 1 . 1 16 16 GLY C C 13 173.3691366 0 . . . . . . . 14 GLY C . 52146 1
59 . 1 . 1 16 16 GLY CA C 13 43.38109961 0 . . . . . . . 14 GLY CA . 52146 1
60 . 1 . 1 16 16 GLY N N 15 114.0162442 0 . . . . . . . 14 GLY N . 52146 1
61 . 1 . 1 17 17 TYR H H 1 8.477396099 0 . . . . . . . 15 TYR H . 52146 1
62 . 1 . 1 17 17 TYR C C 13 176.4949501 0 . . . . . . . 15 TYR C . 52146 1
63 . 1 . 1 17 17 TYR CA C 13 58.69963815 0 . . . . . . . 15 TYR CA . 52146 1
64 . 1 . 1 17 17 TYR CB C 13 37.36310232 0 . . . . . . . 15 TYR CB . 52146 1
65 . 1 . 1 17 17 TYR N N 15 124.8227566 0 . . . . . . . 15 TYR N . 52146 1
66 . 1 . 1 18 18 GLY H H 1 8.477439919 0 . . . . . . . 16 GLY H . 52146 1
67 . 1 . 1 18 18 GLY C C 13 174.7757527 0 . . . . . . . 16 GLY C . 52146 1
68 . 1 . 1 18 18 GLY CA C 13 42.83400895 0 . . . . . . . 16 GLY CA . 52146 1
69 . 1 . 1 18 18 GLY N N 15 108.6625624 0 . . . . . . . 16 GLY N . 52146 1
70 . 1 . 1 19 19 TYR H H 1 9.288438532 0 . . . . . . . 17 TYR H . 52146 1
71 . 1 . 1 19 19 TYR C C 13 175.5572061 0 . . . . . . . 17 TYR C . 52146 1
72 . 1 . 1 19 19 TYR CA C 13 58.69963815 0 . . . . . . . 17 TYR CA . 52146 1
73 . 1 . 1 19 19 TYR CB C 13 39.55146497 0 . . . . . . . 17 TYR CB . 52146 1
74 . 1 . 1 19 19 TYR N N 15 126.65055 0 . . . . . . . 17 TYR N . 52146 1
75 . 1 . 1 20 20 GLY H H 1 8.541051347 0 . . . . . . . 18 GLY H . 52146 1
76 . 1 . 1 20 20 GLY C C 13 170.7121951 0 . . . . . . . 18 GLY C . 52146 1
77 . 1 . 1 20 20 GLY CA C 13 43.38109961 0 . . . . . . . 18 GLY CA . 52146 1
78 . 1 . 1 20 20 GLY N N 15 117.8510876 0 . . . . . . . 18 GLY N . 52146 1
79 . 1 . 1 30 30 MET H H 1 8.396152134 0 . . . . . . . 28 MET H . 52146 1
80 . 1 . 1 30 30 MET C C 13 174.4631714 0 . . . . . . . 28 MET C . 52146 1
81 . 1 . 1 30 30 MET CA C 13 45.02237159 0 . . . . . . . 28 MET CA . 52146 1
82 . 1 . 1 30 30 MET CB C 13 37.91019299 0 . . . . . . . 28 MET CB . 52146 1
83 . 1 . 1 30 30 MET N N 15 109.4638137 0 . . . . . . . 28 MET N . 52146 1
84 . 1 . 1 31 31 HIS H H 1 7.498602304 0 . . . . . . . 29 HIS H . 52146 1
85 . 1 . 1 31 31 HIS C C 13 175.8697874 0 . . . . . . . 29 HIS C . 52146 1
86 . 1 . 1 31 31 HIS CA C 13 60.30258693 0 . . . . . . . 29 HIS CA . 52146 1
87 . 1 . 1 31 31 HIS N N 15 119.9424692 0 . . . . . . . 29 HIS N . 52146 1
88 . 1 . 1 32 32 TYR H H 1 8.709937181 0 . . . . . . . 30 TYR H . 52146 1
89 . 1 . 1 32 32 TYR C C 13 175.4009154 0 . . . . . . . 30 TYR C . 52146 1
90 . 1 . 1 32 32 TYR CA C 13 53.77582219 0 . . . . . . . 30 TYR CA . 52146 1
91 . 1 . 1 32 32 TYR N N 15 120.5143298 0 . . . . . . . 30 TYR N . 52146 1
92 . 1 . 1 33 33 GLY H H 1 8.349457934 0 . . . . . . . 31 GLY H . 52146 1
93 . 1 . 1 33 33 GLY C C 13 174.7757527 0 . . . . . . . 31 GLY C . 52146 1
94 . 1 . 1 33 33 GLY CA C 13 45.02237159 0 . . . . . . . 31 GLY CA . 52146 1
95 . 1 . 1 33 33 GLY N N 15 106.9101799 0 . . . . . . . 31 GLY N . 52146 1
96 . 1 . 1 34 34 VAL H H 1 8.548326192 0 . . . . . . . 32 VAL H . 52146 1
97 . 1 . 1 34 34 VAL C C 13 172.1188112 0 . . . . . . . 32 VAL C . 52146 1
98 . 1 . 1 34 34 VAL CA C 13 58.69963815 0 . . . . . . . 32 VAL CA . 52146 1
99 . 1 . 1 34 34 VAL N N 15 115.6774529 0 . . . . . . . 32 VAL N . 52146 1
100 . 1 . 1 35 35 ASP H H 1 7.694920918 0 . . . . . . . 33 ASP H . 52146 1
101 . 1 . 1 35 35 ASP C C 13 175.4009154 0 . . . . . . . 33 ASP C . 52146 1
102 . 1 . 1 35 35 ASP CA C 13 51.58745954 0 . . . . . . . 33 ASP CA . 52146 1
103 . 1 . 1 35 35 ASP CB C 13 42.28691828 0 . . . . . . . 33 ASP CB . 52146 1
104 . 1 . 1 35 35 ASP N N 15 125.1291274 0 . . . . . . . 33 ASP N . 52146 1
105 . 1 . 1 36 36 PHE H H 1 9.130542997 0 . . . . . . . 34 PHE H . 52146 1
106 . 1 . 1 36 36 PHE C C 13 175.7134968 0 . . . . . . . 34 PHE C . 52146 1
107 . 1 . 1 36 36 PHE CA C 13 56.00932152 0 . . . . . . . 34 PHE CA . 52146 1
108 . 1 . 1 36 36 PHE CB C 13 37.39762384 0 . . . . . . . 34 PHE CB . 52146 1
109 . 1 . 1 36 36 PHE N N 15 118.8326802 0 . . . . . . . 34 PHE N . 52146 1
110 . 1 . 1 37 37 PHE H H 1 9.325106066 0 . . . . . . . 35 PHE H . 52146 1
111 . 1 . 1 37 37 PHE CA C 13 59.79381947 0 . . . . . . . 35 PHE CA . 52146 1
112 . 1 . 1 37 37 PHE CB C 13 38.45728365 0 . . . . . . . 35 PHE CB . 52146 1
113 . 1 . 1 37 37 PHE N N 15 124.9217895 0 . . . . . . . 35 PHE N . 52146 1
114 . 1 . 1 38 38 MET H H 1 7.606089622 0 . . . . . . . 36 MET H . 52146 1
115 . 1 . 1 38 38 MET C C 13 174.619462 0 . . . . . . . 36 MET C . 52146 1
116 . 1 . 1 38 38 MET CA C 13 54.87000351 0 . . . . . . . 36 MET CA . 52146 1
117 . 1 . 1 38 38 MET CB C 13 33.53346769 0 . . . . . . . 36 MET CB . 52146 1
118 . 1 . 1 38 38 MET N N 15 118.2137283 0 . . . . . . . 36 MET N . 52146 1
119 . 1 . 1 39 39 ASN H H 1 8.91335949 0 . . . . . . . 37 ASN H . 52146 1
120 . 1 . 1 39 39 ASN C C 13 175.8697874 0 . . . . . . . 37 ASN C . 52146 1
121 . 1 . 1 39 39 ASN CA C 13 52.1345502 0 . . . . . . . 37 ASN CA . 52146 1
122 . 1 . 1 39 39 ASN CB C 13 37.91019299 0 . . . . . . . 37 ASN CB . 52146 1
123 . 1 . 1 39 39 ASN N N 15 120.4154736 0 . . . . . . . 37 ASN N . 52146 1
124 . 1 . 1 40 40 ILE H H 1 8.73940023 0 . . . . . . . 38 ILE H . 52146 1
125 . 1 . 1 40 40 ILE C C 13 177.5889849 0 . . . . . . . 38 ILE C . 52146 1
126 . 1 . 1 40 40 ILE CA C 13 63.07636345 0 . . . . . . . 38 ILE CA . 52146 1
127 . 1 . 1 40 40 ILE N N 15 121.8453581 0 . . . . . . . 38 ILE N . 52146 1
128 . 1 . 1 41 41 GLY H H 1 8.730557921 0 . . . . . . . 39 GLY H . 52146 1
129 . 1 . 1 41 41 GLY C C 13 174.15059 0 . . . . . . . 39 GLY C . 52146 1
130 . 1 . 1 41 41 GLY CA C 13 44.47528093 0 . . . . . . . 39 GLY CA . 52146 1
131 . 1 . 1 41 41 GLY N N 15 114.189328 0 . . . . . . . 39 GLY N . 52146 1
132 . 1 . 1 42 42 THR H H 1 8.505824168 0 . . . . . . . 40 THR H . 52146 1
133 . 1 . 1 42 42 THR C C 13 173.0565553 0 . . . . . . . 40 THR C . 52146 1
134 . 1 . 1 42 42 THR CA C 13 62.52927278 0 . . . . . . . 40 THR CA . 52146 1
135 . 1 . 1 42 42 THR CB C 13 69.09436073 0 . . . . . . . 40 THR CB . 52146 1
136 . 1 . 1 42 42 THR N N 15 123.8464971 0 . . . . . . . 40 THR N . 52146 1
137 . 1 . 1 44 44 VAL H H 1 8.465050342 0 . . . . . . . 42 VAL H . 52146 1
138 . 1 . 1 44 44 VAL C C 13 175.7134968 0 . . . . . . . 42 VAL C . 52146 1
139 . 1 . 1 44 44 VAL CA C 13 58.15254749 0 . . . . . . . 42 VAL CA . 52146 1
140 . 1 . 1 44 44 VAL CB C 13 26.96837974 0 . . . . . . . 42 VAL CB . 52146 1
141 . 1 . 1 44 44 VAL N N 15 121.4785694 0 . . . . . . . 42 VAL N . 52146 1
142 . 1 . 1 45 45 LYS H H 1 7.985631842 0 . . . . . . . 43 LYS H . 52146 1
143 . 1 . 1 45 45 LYS C C 13 174.461602 0 . . . . . . . 43 LYS C . 52146 1
144 . 1 . 1 45 45 LYS N N 15 121.7914268 0 . . . . . . . 43 LYS N . 52146 1
145 . 1 . 1 46 46 ALA H H 1 8.356423524 0 . . . . . . . 44 ALA H . 52146 1
146 . 1 . 1 46 46 ALA C C 13 179.1518916 0 . . . . . . . 44 ALA C . 52146 1
147 . 1 . 1 46 46 ALA CA C 13 51.58745954 0 . . . . . . . 44 ALA CA . 52146 1
148 . 1 . 1 46 46 ALA CB C 13 16.57365716 0 . . . . . . . 44 ALA CB . 52146 1
149 . 1 . 1 46 46 ALA N N 15 120.9235145 0 . . . . . . . 44 ALA N . 52146 1
150 . 1 . 1 47 47 ILE H H 1 8.85680219 0 . . . . . . . 45 ILE H . 52146 1
151 . 1 . 1 47 47 ILE C C 13 174.9320434 0 . . . . . . . 45 ILE C . 52146 1
152 . 1 . 1 47 47 ILE CA C 13 61.98218212 0 . . . . . . . 45 ILE CA . 52146 1
153 . 1 . 1 47 47 ILE CB C 13 37.91019299 0 . . . . . . . 45 ILE CB . 52146 1
154 . 1 . 1 47 47 ILE N N 15 127.0582905 0 . . . . . . . 45 ILE N . 52146 1
155 . 1 . 1 48 48 SER H H 1 7.145059014 0 . . . . . . . 46 SER H . 52146 1
156 . 1 . 1 48 48 SER C C 13 171.6499392 0 . . . . . . . 46 SER C . 52146 1
157 . 1 . 1 48 48 SER CA C 13 55.96418484 0 . . . . . . . 46 SER CA . 52146 1
158 . 1 . 1 48 48 SER CB C 13 66.35890742 0 . . . . . . . 46 SER CB . 52146 1
159 . 1 . 1 48 48 SER N N 15 108.8490474 0 . . . . . . . 46 SER N . 52146 1
160 . 1 . 1 49 49 SER H H 1 8.238676751 0 . . . . . . . 47 SER H . 52146 1
161 . 1 . 1 49 49 SER C C 13 173.8380087 0 . . . . . . . 47 SER C . 52146 1
162 . 1 . 1 49 49 SER CA C 13 57.05836616 0 . . . . . . . 47 SER CA . 52146 1
163 . 1 . 1 49 49 SER CB C 13 63.07636345 0 . . . . . . . 47 SER CB . 52146 1
164 . 1 . 1 49 49 SER N N 15 115.1535621 0 . . . . . . . 47 SER N . 52146 1
165 . 1 . 1 50 50 GLY H H 1 8.281489824 0 . . . . . . . 48 GLY H . 52146 1
166 . 1 . 1 50 50 GLY C C 13 170.5559045 0 . . . . . . . 48 GLY C . 52146 1
167 . 1 . 1 50 50 GLY CA C 13 45.56946226 0 . . . . . . . 48 GLY CA . 52146 1
168 . 1 . 1 50 50 GLY N N 15 108.4022146 0 . . . . . . . 48 GLY N . 52146 1
169 . 1 . 1 51 51 LYS H H 1 8.220621279 0 . . . . . . . 49 LYS H . 52146 1
170 . 1 . 1 51 51 LYS C C 13 175.8697874 0 . . . . . . . 49 LYS C . 52146 1
171 . 1 . 1 51 51 LYS CA C 13 53.77582219 0 . . . . . . . 49 LYS CA . 52146 1
172 . 1 . 1 51 51 LYS CB C 13 35.17473968 0 . . . . . . . 49 LYS CB . 52146 1
173 . 1 . 1 51 51 LYS N N 15 119.1765644 0 . . . . . . . 49 LYS N . 52146 1
174 . 1 . 1 52 52 ILE H H 1 9.310758375 0 . . . . . . . 50 ILE H . 52146 1
175 . 1 . 1 52 52 ILE C C 13 176.6512408 0 . . . . . . . 50 ILE C . 52146 1
176 . 1 . 1 52 52 ILE CA C 13 57.60545682 0 . . . . . . . 50 ILE CA . 52146 1
177 . 1 . 1 52 52 ILE CB C 13 34.08055835 0 . . . . . . . 50 ILE CB . 52146 1
178 . 1 . 1 52 52 ILE N N 15 124.7333075 0 . . . . . . . 50 ILE N . 52146 1
179 . 1 . 1 53 53 VAL H H 1 8.499661527 0 . . . . . . . 51 VAL H . 52146 1
180 . 1 . 1 53 53 VAL C C 13 174.4631714 0 . . . . . . . 51 VAL C . 52146 1
181 . 1 . 1 53 53 VAL CA C 13 59.79381947 0 . . . . . . . 51 VAL CA . 52146 1
182 . 1 . 1 53 53 VAL CB C 13 32.43928637 0 . . . . . . . 51 VAL CB . 52146 1
183 . 1 . 1 53 53 VAL N N 15 120.9980156 0 . . . . . . . 51 VAL N . 52146 1
184 . 1 . 1 54 54 GLU H H 1 7.766849712 0 . . . . . . . 52 GLU H . 52146 1
185 . 1 . 1 54 54 GLU C C 13 173.3691366 0 . . . . . . . 52 GLU C . 52146 1
186 . 1 . 1 54 54 GLU CA C 13 54.87000351 0 . . . . . . . 52 GLU CA . 52146 1
187 . 1 . 1 54 54 GLU N N 15 124.8852619 0 . . . . . . . 52 GLU N . 52146 1
188 . 1 . 1 56 56 GLY H H 1 8.256653741 0 . . . . . . . 54 GLY H . 52146 1
189 . 1 . 1 56 56 GLY C C 13 173.2128459 0 . . . . . . . 54 GLY C . 52146 1
190 . 1 . 1 56 56 GLY N N 15 108.023457 0 . . . . . . . 54 GLY N . 52146 1
191 . 1 . 1 57 57 TRP H H 1 8.680849197 0 . . . . . . . 55 TRP H . 52146 1
192 . 1 . 1 57 57 TRP C C 13 176.0260781 0 . . . . . . . 55 TRP C . 52146 1
193 . 1 . 1 57 57 TRP CA C 13 58.98585585 0 . . . . . . . 55 TRP CA . 52146 1
194 . 1 . 1 57 57 TRP CB C 13 29.1201709 0 . . . . . . . 55 TRP CB . 52146 1
195 . 1 . 1 57 57 TRP N N 15 121.7577138 0 . . . . . . . 55 TRP N . 52146 1
196 . 1 . 1 58 58 SER H H 1 8.064326342 0 . . . . . . . 56 SER H . 52146 1
197 . 1 . 1 58 58 SER C C 13 174.3068807 0 . . . . . . . 56 SER C . 52146 1
198 . 1 . 1 58 58 SER CA C 13 54.32291285 0 . . . . . . . 56 SER CA . 52146 1
199 . 1 . 1 58 58 SER CB C 13 63.07636345 0 . . . . . . . 56 SER CB . 52146 1
200 . 1 . 1 58 58 SER N N 15 122.7608648 0 . . . . . . . 56 SER N . 52146 1
201 . 1 . 1 59 59 ASN H H 1 8.788521054 0 . . . . . . . 57 ASN H . 52146 1
202 . 1 . 1 59 59 ASN C C 13 175.3974167 0 . . . . . . . 57 ASN C . 52146 1
203 . 1 . 1 59 59 ASN CA C 13 53.22873153 0 . . . . . . . 57 ASN CA . 52146 1
204 . 1 . 1 59 59 ASN CB C 13 37.91019299 0 . . . . . . . 57 ASN CB . 52146 1
205 . 1 . 1 59 59 ASN N N 15 123.5175925 0 . . . . . . . 57 ASN N . 52146 1
206 . 1 . 1 60 60 TYR H H 1 7.805003854 0 . . . . . . . 58 TYR H . 52146 1
207 . 1 . 1 60 60 TYR C C 13 175.0883341 0 . . . . . . . 58 TYR C . 52146 1
208 . 1 . 1 60 60 TYR CA C 13 57.60545682 0 . . . . . . . 58 TYR CA . 52146 1
209 . 1 . 1 60 60 TYR N N 15 117.4819298 0 . . . . . . . 58 TYR N . 52146 1
210 . 1 . 1 61 61 GLY H H 1 7.684047622 0 . . . . . . . 59 GLY H . 52146 1
211 . 1 . 1 61 61 GLY C C 13 175.8697874 0 . . . . . . . 59 GLY C . 52146 1
212 . 1 . 1 61 61 GLY CA C 13 45.02237159 0 . . . . . . . 59 GLY CA . 52146 1
213 . 1 . 1 61 61 GLY N N 15 109.0309101 0 . . . . . . . 59 GLY N . 52146 1
214 . 1 . 1 62 62 GLY H H 1 7.752147551 0 . . . . . . . 60 GLY H . 52146 1
215 . 1 . 1 62 62 GLY C C 13 172.2751019 0 . . . . . . . 60 GLY C . 52146 1
216 . 1 . 1 62 62 GLY CA C 13 45.56946226 0 . . . . . . . 60 GLY CA . 52146 1
217 . 1 . 1 62 62 GLY N N 15 106.6750124 0 . . . . . . . 60 GLY N . 52146 1
218 . 1 . 1 63 63 GLY H H 1 7.564707344 0 . . . . . . . 61 GLY H . 52146 1
219 . 1 . 1 63 63 GLY C C 13 174.4631714 0 . . . . . . . 61 GLY C . 52146 1
220 . 1 . 1 63 63 GLY CA C 13 43.92819027 0 . . . . . . . 61 GLY CA . 52146 1
221 . 1 . 1 63 63 GLY N N 15 107.470989 0 . . . . . . . 61 GLY N . 52146 1
222 . 1 . 1 64 64 ASN H H 1 7.587294443 0 . . . . . . . 62 ASN H . 52146 1
223 . 1 . 1 64 64 ASN C C 13 172.7439739 0 . . . . . . . 62 ASN C . 52146 1
224 . 1 . 1 64 64 ASN CA C 13 54.32291285 0 . . . . . . . 62 ASN CA . 52146 1
225 . 1 . 1 64 64 ASN CB C 13 37.36310232 0 . . . . . . . 62 ASN CB . 52146 1
226 . 1 . 1 64 64 ASN N N 15 122.8729635 0 . . . . . . . 62 ASN N . 52146 1
227 . 1 . 1 65 65 GLN H H 1 8.036883865 0 . . . . . . . 63 GLN H . 52146 1
228 . 1 . 1 65 65 GLN C C 13 173.8471529 0 . . . . . . . 63 GLN C . 52146 1
229 . 1 . 1 65 65 GLN CA C 13 52.68164086 0 . . . . . . . 63 GLN CA . 52146 1
230 . 1 . 1 65 65 GLN CB C 13 32.98637703 0 . . . . . . . 63 GLN CB . 52146 1
231 . 1 . 1 65 65 GLN N N 15 121.6200029 0 . . . . . . . 63 GLN N . 52146 1
232 . 1 . 1 66 66 ILE H H 1 8.478395699 0 . . . . . . . 64 ILE H . 52146 1
233 . 1 . 1 66 66 ILE C C 13 175.4009154 0 . . . . . . . 64 ILE C . 52146 1
234 . 1 . 1 66 66 ILE CA C 13 58.15254749 0 . . . . . . . 64 ILE CA . 52146 1
235 . 1 . 1 66 66 ILE CB C 13 42.83400895 0 . . . . . . . 64 ILE CB . 52146 1
236 . 1 . 1 66 66 ILE N N 15 120.369244 0 . . . . . . . 64 ILE N . 52146 1
237 . 1 . 1 67 67 GLY H H 1 9.242498252 0 . . . . . . . 65 GLY H . 52146 1
238 . 1 . 1 67 67 GLY C C 13 171.4936485 0 . . . . . . . 65 GLY C . 52146 1
239 . 1 . 1 67 67 GLY CA C 13 44.47528093 0 . . . . . . . 65 GLY CA . 52146 1
240 . 1 . 1 67 67 GLY N N 15 114.6781124 0 . . . . . . . 65 GLY N . 52146 1
241 . 1 . 1 68 68 LEU H H 1 9.644941829 0 . . . . . . . 66 LEU H . 52146 1
242 . 1 . 1 68 68 LEU C C 13 175.0883341 0 . . . . . . . 66 LEU C . 52146 1
243 . 1 . 1 68 68 LEU CA C 13 53.2281424 0 . . . . . . . 66 LEU CA . 52146 1
244 . 1 . 1 68 68 LEU CB C 13 47.75782491 0 . . . . . . . 66 LEU CB . 52146 1
245 . 1 . 1 68 68 LEU N N 15 130.2562994 0 . . . . . . . 66 LEU N . 52146 1
246 . 1 . 1 69 69 ILE H H 1 9.366943475 0 . . . . . . . 67 ILE H . 52146 1
247 . 1 . 1 69 69 ILE C C 13 175.48503 0 . . . . . . . 67 ILE C . 52146 1
248 . 1 . 1 69 69 ILE CA C 13 60.8880008 0 . . . . . . . 67 ILE CA . 52146 1
249 . 1 . 1 69 69 ILE CB C 13 39.00437431 0 . . . . . . . 67 ILE CB . 52146 1
250 . 1 . 1 69 69 ILE N N 15 126.1565987 0 . . . . . . . 67 ILE N . 52146 1
251 . 1 . 1 70 70 GLU H H 1 8.583221488 0 . . . . . . . 68 GLU H . 52146 1
252 . 1 . 1 70 70 GLU C C 13 177.984367 0 . . . . . . . 68 GLU C . 52146 1
253 . 1 . 1 70 70 GLU CA C 13 56.5112755 0 . . . . . . . 68 GLU CA . 52146 1
254 . 1 . 1 70 70 GLU CB C 13 30.25092372 0 . . . . . . . 68 GLU CB . 52146 1
255 . 1 . 1 70 70 GLU N N 15 127.4919585 0 . . . . . . . 68 GLU N . 52146 1
256 . 1 . 1 71 71 ASN H H 1 9.14639247 0 . . . . . . . 69 ASN H . 52146 1
257 . 1 . 1 71 71 ASN C C 13 176.1823688 0 . . . . . . . 69 ASN C . 52146 1
258 . 1 . 1 71 71 ASN CA C 13 54.87000351 0 . . . . . . . 69 ASN CA . 52146 1
259 . 1 . 1 71 71 ASN CB C 13 37.36310232 0 . . . . . . . 69 ASN CB . 52146 1
260 . 1 . 1 71 71 ASN N N 15 118.3975846 0 . . . . . . . 69 ASN N . 52146 1
261 . 1 . 1 72 72 ASP H H 1 7.747788176 0 . . . . . . . 70 ASP H . 52146 1
262 . 1 . 1 72 72 ASP C C 13 177.2764035 0 . . . . . . . 70 ASP C . 52146 1
263 . 1 . 1 72 72 ASP CA C 13 53.77582219 0 . . . . . . . 70 ASP CA . 52146 1
264 . 1 . 1 72 72 ASP CB C 13 39.00437431 0 . . . . . . . 70 ASP CB . 52146 1
265 . 1 . 1 72 72 ASP N N 15 116.587672 0 . . . . . . . 70 ASP N . 52146 1
266 . 1 . 1 73 73 GLY H H 1 8.445207408 0 . . . . . . . 71 GLY H . 52146 1
267 . 1 . 1 73 73 GLY C C 13 172.9002646 0 . . . . . . . 71 GLY C . 52146 1
268 . 1 . 1 73 73 GLY CA C 13 45.56946226 0 . . . . . . . 71 GLY CA . 52146 1
269 . 1 . 1 73 73 GLY N N 15 109.3980755 0 . . . . . . . 71 GLY N . 52146 1
270 . 1 . 1 74 74 VAL H H 1 8.571500885 0 . . . . . . . 72 VAL H . 52146 1
271 . 1 . 1 74 74 VAL C C 13 177.7452755 0 . . . . . . . 72 VAL C . 52146 1
272 . 1 . 1 74 74 VAL N N 15 121.6437883 0 . . . . . . . 72 VAL N . 52146 1
273 . 1 . 1 75 75 HIS H H 1 9.657953686 0 . . . . . . . 73 HIS H . 52146 1
274 . 1 . 1 75 75 HIS C C 13 173.2128459 0 . . . . . . . 73 HIS C . 52146 1
275 . 1 . 1 75 75 HIS N N 15 123.6306221 0 . . . . . . . 73 HIS N . 52146 1
276 . 1 . 1 76 76 ARG H H 1 8.615188564 0 . . . . . . . 74 ARG H . 52146 1
277 . 1 . 1 76 76 ARG C C 13 176.0260781 0 . . . . . . . 74 ARG C . 52146 1
278 . 1 . 1 76 76 ARG CA C 13 57.60545682 0 . . . . . . . 74 ARG CA . 52146 1
279 . 1 . 1 76 76 ARG CB C 13 29.15674239 0 . . . . . . . 74 ARG CB . 52146 1
280 . 1 . 1 76 76 ARG N N 15 121.3790318 0 . . . . . . . 74 ARG N . 52146 1
281 . 1 . 1 77 77 GLN H H 1 9.599077695 0 . . . . . . . 75 GLN H . 52146 1
282 . 1 . 1 77 77 GLN C C 13 175.2446247 0 . . . . . . . 75 GLN C . 52146 1
283 . 1 . 1 77 77 GLN CB C 13 32.43928637 0 . . . . . . . 75 GLN CB . 52146 1
284 . 1 . 1 77 77 GLN N N 15 118.9446856 0 . . . . . . . 75 GLN N . 52146 1
285 . 1 . 1 78 78 TRP H H 1 9.119245239 0 . . . . . . . 76 TRP H . 52146 1
286 . 1 . 1 78 78 TRP C C 13 174.9320434 0 . . . . . . . 76 TRP C . 52146 1
287 . 1 . 1 78 78 TRP CA C 13 53.77582219 0 . . . . . . . 76 TRP CA . 52146 1
288 . 1 . 1 78 78 TRP CB C 13 34.62764901 0 . . . . . . . 76 TRP CB . 52146 1
289 . 1 . 1 78 78 TRP N N 15 122.540044 0 . . . . . . . 76 TRP N . 52146 1
290 . 1 . 1 79 79 TYR H H 1 8.983477476 0 . . . . . . . 77 TYR H . 52146 1
291 . 1 . 1 79 79 TYR C C 13 175.5572061 0 . . . . . . . 77 TYR C . 52146 1
292 . 1 . 1 79 79 TYR CA C 13 55.96418484 0 . . . . . . . 77 TYR CA . 52146 1
293 . 1 . 1 79 79 TYR CB C 13 39.55146497 0 . . . . . . . 77 TYR CB . 52146 1
294 . 1 . 1 79 79 TYR N N 15 118.8480085 0 . . . . . . . 77 TYR N . 52146 1
295 . 1 . 1 80 80 MET H H 1 8.550332934 0 . . . . . . . 78 MET H . 52146 1
296 . 1 . 1 80 80 MET CA C 13 54.87000351 0 . . . . . . . 78 MET CA . 52146 1
297 . 1 . 1 80 80 MET CB C 13 35.72183034 0 . . . . . . . 78 MET CB . 52146 1
298 . 1 . 1 80 80 MET N N 15 118.4909387 0 . . . . . . . 78 MET N . 52146 1
299 . 1 . 1 81 81 HIS H H 1 8.343486556 0 . . . . . . . 79 HIS H . 52146 1
300 . 1 . 1 81 81 HIS C C 13 175.8697874 0 . . . . . . . 79 HIS C . 52146 1
301 . 1 . 1 81 81 HIS CA C 13 56.59989911 0 . . . . . . . 79 HIS CA . 52146 1
302 . 1 . 1 81 81 HIS CB C 13 24.74496472 0 . . . . . . . 79 HIS CB . 52146 1
303 . 1 . 1 81 81 HIS N N 15 114.3362679 0 . . . . . . . 79 HIS N . 52146 1
304 . 1 . 1 82 82 LEU H H 1 8.274777457 0 . . . . . . . 80 LEU H . 52146 1
305 . 1 . 1 82 82 LEU C C 13 175.9460375 0 . . . . . . . 80 LEU C . 52146 1
306 . 1 . 1 82 82 LEU CA C 13 54.87000351 0 . . . . . . . 80 LEU CA . 52146 1
307 . 1 . 1 82 82 LEU CB C 13 40.6456463 0 . . . . . . . 80 LEU CB . 52146 1
308 . 1 . 1 82 82 LEU N N 15 114.3360898 0 . . . . . . . 80 LEU N . 52146 1
309 . 1 . 1 83 83 SER H H 1 9.136767058 0 . . . . . . . 81 SER H . 52146 1
310 . 1 . 1 83 83 SER C C 13 174.4631714 0 . . . . . . . 81 SER C . 52146 1
311 . 1 . 1 83 83 SER CA C 13 58.69963815 0 . . . . . . . 81 SER CA . 52146 1
312 . 1 . 1 83 83 SER CB C 13 64.17054477 0 . . . . . . . 81 SER CB . 52146 1
313 . 1 . 1 83 83 SER N N 15 113.4900874 0 . . . . . . . 81 SER N . 52146 1
314 . 1 . 1 84 84 LYS H H 1 7.295984919 0 . . . . . . . 82 LYS H . 52146 1
315 . 1 . 1 84 84 LYS C C 13 173.8380087 0 . . . . . . . 82 LYS C . 52146 1
316 . 1 . 1 84 84 LYS CA C 13 55.41709418 0 . . . . . . . 82 LYS CA . 52146 1
317 . 1 . 1 84 84 LYS CB C 13 37.30125854 0 . . . . . . . 82 LYS CB . 52146 1
318 . 1 . 1 84 84 LYS N N 15 120.9210735 0 . . . . . . . 82 LYS N . 52146 1
319 . 1 . 1 85 85 TYR H H 1 8.863647993 0 . . . . . . . 83 TYR H . 52146 1
320 . 1 . 1 85 85 TYR C C 13 174.7924526 0 . . . . . . . 83 TYR C . 52146 1
321 . 1 . 1 85 85 TYR CA C 13 57.04312892 0 . . . . . . . 83 TYR CA . 52146 1
322 . 1 . 1 85 85 TYR CB C 13 41.22084295 0 . . . . . . . 83 TYR CB . 52146 1
323 . 1 . 1 85 85 TYR N N 15 121.8798667 0 . . . . . . . 83 TYR N . 52146 1
324 . 1 . 1 86 86 ASN H H 1 8.629674139 0 . . . . . . . 84 ASN H . 52146 1
325 . 1 . 1 86 86 ASN C C 13 173.8380087 0 . . . . . . . 84 ASN C . 52146 1
326 . 1 . 1 86 86 ASN CA C 13 51.04036888 0 . . . . . . . 84 ASN CA . 52146 1
327 . 1 . 1 86 86 ASN N N 15 120.2488673 0 . . . . . . . 84 ASN N . 52146 1
328 . 1 . 1 87 87 VAL H H 1 6.96809431 0 . . . . . . . 85 VAL H . 52146 1
329 . 1 . 1 87 87 VAL C C 13 173.2128459 0 . . . . . . . 85 VAL C . 52146 1
330 . 1 . 1 87 87 VAL CA C 13 57.60545682 0 . . . . . . . 85 VAL CA . 52146 1
331 . 1 . 1 87 87 VAL CB C 13 36.81601166 0 . . . . . . . 85 VAL CB . 52146 1
332 . 1 . 1 87 87 VAL N N 15 108.4844507 0 . . . . . . . 85 VAL N . 52146 1
333 . 1 . 1 88 88 LYS H H 1 8.606498727 0 . . . . . . . 86 LYS H . 52146 1
334 . 1 . 1 88 88 LYS C C 13 175.2446247 0 . . . . . . . 86 LYS C . 52146 1
335 . 1 . 1 88 88 LYS CA C 13 53.22873153 0 . . . . . . . 86 LYS CA . 52146 1
336 . 1 . 1 88 88 LYS CB C 13 35.17473968 0 . . . . . . . 86 LYS CB . 52146 1
337 . 1 . 1 88 88 LYS N N 15 119.2726685 0 . . . . . . . 86 LYS N . 52146 1
338 . 1 . 1 89 89 VAL H H 1 8.308619276 0 . . . . . . . 87 VAL H . 52146 1
339 . 1 . 1 89 89 VAL C C 13 176.9638222 0 . . . . . . . 87 VAL C . 52146 1
340 . 1 . 1 89 89 VAL CA C 13 65.81181676 0 . . . . . . . 87 VAL CA . 52146 1
341 . 1 . 1 89 89 VAL CB C 13 30.25092372 0 . . . . . . . 87 VAL CB . 52146 1
342 . 1 . 1 89 89 VAL N N 15 119.5154165 0 . . . . . . . 87 VAL N . 52146 1
343 . 1 . 1 90 90 GLY H H 1 8.948110575 0 . . . . . . . 88 GLY H . 52146 1
344 . 1 . 1 90 90 GLY C C 13 174.3068807 0 . . . . . . . 88 GLY C . 52146 1
345 . 1 . 1 90 90 GLY CA C 13 43.92819027 0 . . . . . . . 88 GLY CA . 52146 1
346 . 1 . 1 90 90 GLY N N 15 116.9619897 0 . . . . . . . 88 GLY N . 52146 1
347 . 1 . 1 91 91 ASP H H 1 7.937499662 0 . . . . . . . 89 ASP H . 52146 1
348 . 1 . 1 91 91 ASP C C 13 174.619462 0 . . . . . . . 89 ASP C . 52146 1
349 . 1 . 1 91 91 ASP CA C 13 54.87000351 0 . . . . . . . 89 ASP CA . 52146 1
350 . 1 . 1 91 91 ASP CB C 13 40.6456463 0 . . . . . . . 89 ASP CB . 52146 1
351 . 1 . 1 91 91 ASP N N 15 121.5700169 0 . . . . . . . 89 ASP N . 52146 1
352 . 1 . 1 92 92 TYR H H 1 8.730576957 0 . . . . . . . 90 TYR H . 52146 1
353 . 1 . 1 92 92 TYR C C 13 176.0260781 0 . . . . . . . 90 TYR C . 52146 1
354 . 1 . 1 92 92 TYR CA C 13 57.05836616 0 . . . . . . . 90 TYR CA . 52146 1
355 . 1 . 1 92 92 TYR CB C 13 38.99775654 0 . . . . . . . 90 TYR CB . 52146 1
356 . 1 . 1 92 92 TYR N N 15 121.1510747 0 . . . . . . . 90 TYR N . 52146 1
357 . 1 . 1 93 93 VAL H H 1 8.85510111 0 . . . . . . . 91 VAL H . 52146 1
358 . 1 . 1 93 93 VAL C C 13 173.8380087 0 . . . . . . . 91 VAL C . 52146 1
359 . 1 . 1 93 93 VAL CB C 13 34.08055835 0 . . . . . . . 91 VAL CB . 52146 1
360 . 1 . 1 93 93 VAL N N 15 118.6484355 0 . . . . . . . 91 VAL N . 52146 1
361 . 1 . 1 94 94 LYS H H 1 7.848388025 0 . . . . . . . 92 LYS H . 52146 1
362 . 1 . 1 94 94 LYS C C 13 175.8697874 0 . . . . . . . 92 LYS C . 52146 1
363 . 1 . 1 94 94 LYS CA C 13 52.68164086 0 . . . . . . . 92 LYS CA . 52146 1
364 . 1 . 1 94 94 LYS N N 15 120.903875 0 . . . . . . . 92 LYS N . 52146 1
365 . 1 . 1 95 95 ALA H H 1 8.037531467 0 . . . . . . . 93 ALA H . 52146 1
366 . 1 . 1 95 95 ALA C C 13 178.3704382 0 . . . . . . . 93 ALA C . 52146 1
367 . 1 . 1 95 95 ALA CB C 13 17.12074782 0 . . . . . . . 93 ALA CB . 52146 1
368 . 1 . 1 95 95 ALA N N 15 124.0773234 0 . . . . . . . 93 ALA N . 52146 1
369 . 1 . 1 96 96 GLY H H 1 9.72645482 0 . . . . . . . 94 GLY H . 52146 1
370 . 1 . 1 96 96 GLY C C 13 173.3691366 0 . . . . . . . 94 GLY C . 52146 1
371 . 1 . 1 96 96 GLY CA C 13 44.47528093 0 . . . . . . . 94 GLY CA . 52146 1
372 . 1 . 1 96 96 GLY N N 15 112.6004713 0 . . . . . . . 94 GLY N . 52146 1
373 . 1 . 1 97 97 GLN H H 1 8.109679003 0 . . . . . . . 95 GLN H . 52146 1
374 . 1 . 1 97 97 GLN C C 13 175.8752091 0 . . . . . . . 95 GLN C . 52146 1
375 . 1 . 1 97 97 GLN CA C 13 55.41709418 0 . . . . . . . 95 GLN CA . 52146 1
376 . 1 . 1 97 97 GLN CB C 13 29.70383305 0 . . . . . . . 95 GLN CB . 52146 1
377 . 1 . 1 97 97 GLN N N 15 122.0080642 0 . . . . . . . 95 GLN N . 52146 1
378 . 1 . 1 98 98 ILE H H 1 8.686887483 0 . . . . . . . 96 ILE H . 52146 1
379 . 1 . 1 98 98 ILE C C 13 177.2764035 0 . . . . . . . 96 ILE C . 52146 1
380 . 1 . 1 98 98 ILE CA C 13 61.98218212 0 . . . . . . . 96 ILE CA . 52146 1
381 . 1 . 1 98 98 ILE CB C 13 36.268921 0 . . . . . . . 96 ILE CB . 52146 1
382 . 1 . 1 98 98 ILE N N 15 124.1474801 0 . . . . . . . 96 ILE N . 52146 1
383 . 1 . 1 99 99 ILE H H 1 8.508445828 0 . . . . . . . 97 ILE H . 52146 1
384 . 1 . 1 99 99 ILE C C 13 174.7757527 0 . . . . . . . 97 ILE C . 52146 1
385 . 1 . 1 99 99 ILE CA C 13 60.8880008 0 . . . . . . . 97 ILE CA . 52146 1
386 . 1 . 1 99 99 ILE CB C 13 37.91019299 0 . . . . . . . 97 ILE CB . 52146 1
387 . 1 . 1 99 99 ILE N N 15 121.8835287 0 . . . . . . . 97 ILE N . 52146 1
388 . 1 . 1 100 100 GLY H H 1 7.192103056 0 . . . . . . . 98 GLY H . 52146 1
389 . 1 . 1 100 100 GLY C C 13 167.7658037 0 . . . . . . . 98 GLY C . 52146 1
390 . 1 . 1 100 100 GLY CA C 13 44.47528093 0 . . . . . . . 98 GLY CA . 52146 1
391 . 1 . 1 100 100 GLY N N 15 108.675586 0 . . . . . . . 98 GLY N . 52146 1
392 . 1 . 1 101 101 TRP H H 1 8.696176253 0 . . . . . . . 99 TRP H . 52146 1
393 . 1 . 1 101 101 TRP C C 13 175.7134968 0 . . . . . . . 99 TRP C . 52146 1
394 . 1 . 1 101 101 TRP CA C 13 57.60545682 0 . . . . . . . 99 TRP CA . 52146 1
395 . 1 . 1 101 101 TRP CB C 13 32.98637703 0 . . . . . . . 99 TRP CB . 52146 1
396 . 1 . 1 101 101 TRP N N 15 118.1022444 0 . . . . . . . 99 TRP N . 52146 1
397 . 1 . 1 102 102 SER H H 1 10.09711661 0 . . . . . . . 100 SER H . 52146 1
398 . 1 . 1 102 102 SER CA C 13 59.79381947 0 . . . . . . . 100 SER CA . 52146 1
399 . 1 . 1 102 102 SER CB C 13 64.17054477 0 . . . . . . . 100 SER CB . 52146 1
400 . 1 . 1 102 102 SER N N 15 123.2522727 0 . . . . . . . 100 SER N . 52146 1
401 . 1 . 1 103 103 GLY H H 1 9.085365975 0 . . . . . . . 101 GLY H . 52146 1
402 . 1 . 1 103 103 GLY C C 13 172.2751019 0 . . . . . . . 101 GLY C . 52146 1
403 . 1 . 1 103 103 GLY CA C 13 47.75782491 0 . . . . . . . 101 GLY CA . 52146 1
404 . 1 . 1 103 103 GLY N N 15 117.5397817 0 . . . . . . . 101 GLY N . 52146 1
405 . 1 . 1 104 104 SER H H 1 8.7610159 0 . . . . . . . 102 SER H . 52146 1
406 . 1 . 1 104 104 SER C C 13 175.2446247 0 . . . . . . . 102 SER C . 52146 1
407 . 1 . 1 104 104 SER CA C 13 54.87018699 0 . . . . . . . 102 SER CA . 52146 1
408 . 1 . 1 104 104 SER CB C 13 64.6040933 0 . . . . . . . 102 SER CB . 52146 1
409 . 1 . 1 104 104 SER N N 15 118.3037273 0 . . . . . . . 102 SER N . 52146 1
410 . 1 . 1 105 105 THR H H 1 7.699502985 0 . . . . . . . 103 THR H . 52146 1
411 . 1 . 1 105 105 THR CA C 13 60.8880008 0 . . . . . . . 103 THR CA . 52146 1
412 . 1 . 1 105 105 THR CB C 13 71.28272338 0 . . . . . . . 103 THR CB . 52146 1
413 . 1 . 1 105 105 THR N N 15 110.9264579 0 . . . . . . . 103 THR N . 52146 1
414 . 1 . 1 106 106 GLY H H 1 8.853980108 0 . . . . . . . 104 GLY H . 52146 1
415 . 1 . 1 106 106 GLY C C 13 174.3068807 0 . . . . . . . 104 GLY C . 52146 1
416 . 1 . 1 106 106 GLY CA C 13 44.47528093 0 . . . . . . . 104 GLY CA . 52146 1
417 . 1 . 1 106 106 GLY N N 15 109.0892277 0 . . . . . . . 104 GLY N . 52146 1
418 . 1 . 1 112 112 HIS H H 1 8.367595658 0 . . . . . . . 110 HIS H . 52146 1
419 . 1 . 1 112 112 HIS C C 13 171.8062299 0 . . . . . . . 110 HIS C . 52146 1
420 . 1 . 1 112 112 HIS CA C 13 55.41709418 0 . . . . . . . 110 HIS CA . 52146 1
421 . 1 . 1 112 112 HIS CB C 13 29.19931873 0 . . . . . . . 110 HIS CB . 52146 1
422 . 1 . 1 112 112 HIS N N 15 119.3369486 0 . . . . . . . 110 HIS N . 52146 1
423 . 1 . 1 113 113 LEU H H 1 9.078019834 0 . . . . . . . 111 LEU H . 52146 1
424 . 1 . 1 113 113 LEU C C 13 176.0260781 0 . . . . . . . 111 LEU C . 52146 1
425 . 1 . 1 113 113 LEU CA C 13 53.77582219 0 . . . . . . . 111 LEU CA . 52146 1
426 . 1 . 1 113 113 LEU CB C 13 44.47528093 0 . . . . . . . 111 LEU CB . 52146 1
427 . 1 . 1 113 113 LEU N N 15 119.6673639 0 . . . . . . . 111 LEU N . 52146 1
428 . 1 . 1 114 114 HIS H H 1 6.824475576 0 . . . . . . . 112 HIS H . 52146 1
429 . 1 . 1 114 114 HIS C C 13 173.5254273 0 . . . . . . . 112 HIS C . 52146 1
430 . 1 . 1 114 114 HIS CA C 13 54.87000351 0 . . . . . . . 112 HIS CA . 52146 1
431 . 1 . 1 114 114 HIS CB C 13 34.08055835 0 . . . . . . . 112 HIS CB . 52146 1
432 . 1 . 1 114 114 HIS N N 15 124.7504035 0 . . . . . . . 112 HIS N . 52146 1
433 . 1 . 1 115 115 PHE H H 1 9.242035178 0 . . . . . . . 113 PHE H . 52146 1
434 . 1 . 1 115 115 PHE C C 13 171.9586561 0 . . . . . . . 113 PHE C . 52146 1
435 . 1 . 1 115 115 PHE CB C 13 41.74454589 0 . . . . . . . 113 PHE CB . 52146 1
436 . 1 . 1 115 115 PHE N N 15 129.9700515 0 . . . . . . . 113 PHE N . 52146 1
437 . 1 . 1 116 116 GLN H H 1 8.059179284 0 . . . . . . . 114 GLN H . 52146 1
438 . 1 . 1 116 116 GLN C C 13 171.796799 0 . . . . . . . 114 GLN C . 52146 1
439 . 1 . 1 116 116 GLN CA C 13 52.80866873 0 . . . . . . . 114 GLN CA . 52146 1
440 . 1 . 1 116 116 GLN CB C 13 32.98637703 0 . . . . . . . 114 GLN CB . 52146 1
441 . 1 . 1 116 116 GLN N N 15 129.5496188 0 . . . . . . . 114 GLN N . 52146 1
442 . 1 . 1 117 117 ARG H H 1 9.708855777 0 . . . . . . . 115 ARG H . 52146 1
443 . 1 . 1 117 117 ARG C C 13 174.15059 0 . . . . . . . 115 ARG C . 52146 1
444 . 1 . 1 117 117 ARG CA C 13 54.87000351 0 . . . . . . . 115 ARG CA . 52146 1
445 . 1 . 1 117 117 ARG N N 15 128.8247071 0 . . . . . . . 115 ARG N . 52146 1
446 . 1 . 1 118 118 MET H H 1 9.269271576 0 . . . . . . . 116 MET H . 52146 1
447 . 1 . 1 118 118 MET C C 13 174.3068807 0 . . . . . . . 116 MET C . 52146 1
448 . 1 . 1 118 118 MET CA C 13 53.22873153 0 . . . . . . . 116 MET CA . 52146 1
449 . 1 . 1 118 118 MET CB C 13 37.36310232 0 . . . . . . . 116 MET CB . 52146 1
450 . 1 . 1 118 118 MET N N 15 126.0869055 0 . . . . . . . 116 MET N . 52146 1
451 . 1 . 1 119 119 VAL H H 1 7.204675097 0 . . . . . . . 117 VAL H . 52146 1
452 . 1 . 1 119 119 VAL C C 13 177.1201128 0 . . . . . . . 117 VAL C . 52146 1
453 . 1 . 1 119 119 VAL CA C 13 59.79381947 0 . . . . . . . 117 VAL CA . 52146 1
454 . 1 . 1 119 119 VAL CB C 13 32.98637703 0 . . . . . . . 117 VAL CB . 52146 1
455 . 1 . 1 119 119 VAL N N 15 113.8629673 0 . . . . . . . 117 VAL N . 52146 1
456 . 1 . 1 120 120 ASN H H 1 7.8128568 0 . . . . . . . 118 ASN H . 52146 1
457 . 1 . 1 120 120 ASN C C 13 174.4631714 0 . . . . . . . 118 ASN C . 52146 1
458 . 1 . 1 120 120 ASN CA C 13 58.15254749 0 . . . . . . . 118 ASN CA . 52146 1
459 . 1 . 1 120 120 ASN CB C 13 37.36310232 0 . . . . . . . 118 ASN CB . 52146 1
460 . 1 . 1 120 120 ASN N N 15 116.8223824 0 . . . . . . . 118 ASN N . 52146 1
461 . 1 . 1 121 121 SER H H 1 8.532880527 0 . . . . . . . 119 SER H . 52146 1
462 . 1 . 1 121 121 SER C C 13 172.2751019 0 . . . . . . . 119 SER C . 52146 1
463 . 1 . 1 121 121 SER CA C 13 56.24782921 0 . . . . . . . 119 SER CA . 52146 1
464 . 1 . 1 121 121 SER CB C 13 64.17054477 0 . . . . . . . 119 SER CB . 52146 1
465 . 1 . 1 121 121 SER N N 15 115.1588894 0 . . . . . . . 119 SER N . 52146 1
466 . 1 . 1 122 122 PHE H H 1 8.459602291 0 . . . . . . . 120 PHE H . 52146 1
467 . 1 . 1 122 122 PHE C C 13 173.681718 0 . . . . . . . 120 PHE C . 52146 1
468 . 1 . 1 122 122 PHE CA C 13 57.05836616 0 . . . . . . . 120 PHE CA . 52146 1
469 . 1 . 1 122 122 PHE CB C 13 36.268921 0 . . . . . . . 120 PHE CB . 52146 1
470 . 1 . 1 122 122 PHE N N 15 119.6400646 0 . . . . . . . 120 PHE N . 52146 1
471 . 1 . 1 123 123 SER H H 1 6.969070204 0 . . . . . . . 121 SER H . 52146 1
472 . 1 . 1 123 123 SER CA C 13 55.96418484 0 . . . . . . . 121 SER CA . 52146 1
473 . 1 . 1 123 123 SER CB C 13 64.17054477 0 . . . . . . . 121 SER CB . 52146 1
474 . 1 . 1 123 123 SER N N 15 119.5026847 0 . . . . . . . 121 SER N . 52146 1
475 . 1 . 1 125 125 SER H H 1 8.146977756 0 . . . . . . . 123 SER H . 52146 1
476 . 1 . 1 125 125 SER C C 13 175.0883341 0 . . . . . . . 123 SER C . 52146 1
477 . 1 . 1 125 125 SER CA C 13 60.34091014 0 . . . . . . . 123 SER CA . 52146 1
478 . 1 . 1 125 125 SER CB C 13 62.52927278 0 . . . . . . . 123 SER CB . 52146 1
479 . 1 . 1 125 125 SER N N 15 112.6371601 0 . . . . . . . 123 SER N . 52146 1
480 . 1 . 1 126 126 THR H H 1 7.118685099 0 . . . . . . . 124 THR H . 52146 1
481 . 1 . 1 126 126 THR CB C 13 67.43588833 0 . . . . . . . 124 THR CB . 52146 1
482 . 1 . 1 126 126 THR N N 15 109.1962235 0 . . . . . . . 124 THR N . 52146 1
483 . 1 . 1 127 127 ALA H H 1 7.335200619 0 . . . . . . . 125 ALA H . 52146 1
484 . 1 . 1 127 127 ALA C C 13 176.0260781 0 . . . . . . . 125 ALA C . 52146 1
485 . 1 . 1 127 127 ALA CA C 13 52.1345502 0 . . . . . . . 125 ALA CA . 52146 1
486 . 1 . 1 127 127 ALA CB C 13 19.85620114 0 . . . . . . . 125 ALA CB . 52146 1
487 . 1 . 1 127 127 ALA N N 15 124.4065719 0 . . . . . . . 125 ALA N . 52146 1
488 . 1 . 1 128 128 GLN H H 1 8.303277542 0 . . . . . . . 126 GLN H . 52146 1
489 . 1 . 1 128 128 GLN C C 13 173.9942993 0 . . . . . . . 126 GLN C . 52146 1
490 . 1 . 1 128 128 GLN CB C 13 31.8921957 0 . . . . . . . 126 GLN CB . 52146 1
491 . 1 . 1 128 128 GLN N N 15 117.5619588 0 . . . . . . . 126 GLN N . 52146 1
492 . 1 . 1 129 129 ASP H H 1 8.322081007 0 . . . . . . . 127 ASP H . 52146 1
493 . 1 . 1 129 129 ASP C C 13 175.5572061 0 . . . . . . . 127 ASP C . 52146 1
494 . 1 . 1 129 129 ASP CA C 13 60.8880008 0 . . . . . . . 127 ASP CA . 52146 1
495 . 1 . 1 129 129 ASP CB C 13 32.43928637 0 . . . . . . . 127 ASP CB . 52146 1
496 . 1 . 1 129 129 ASP N N 15 123.9843593 0 . . . . . . . 127 ASP N . 52146 1
497 . 1 . 1 133 133 PHE H H 1 7.359707154 0 . . . . . . . 131 PHE H . 52146 1
498 . 1 . 1 133 133 PHE C C 13 177.4326942 0 . . . . . . . 131 PHE C . 52146 1
499 . 1 . 1 133 133 PHE CA C 13 59.24672881 0 . . . . . . . 131 PHE CA . 52146 1
500 . 1 . 1 133 133 PHE CB C 13 39.00437431 0 . . . . . . . 131 PHE CB . 52146 1
501 . 1 . 1 133 133 PHE N N 15 117.7144266 0 . . . . . . . 131 PHE N . 52146 1
502 . 1 . 1 134 134 LEU H H 1 8.417245376 0 . . . . . . . 132 LEU H . 52146 1
503 . 1 . 1 134 134 LEU C C 13 177.9015662 0 . . . . . . . 132 LEU C . 52146 1
504 . 1 . 1 134 134 LEU CA C 13 56.5112755 0 . . . . . . . 132 LEU CA . 52146 1
505 . 1 . 1 134 134 LEU CB C 13 40.6456463 0 . . . . . . . 132 LEU CB . 52146 1
506 . 1 . 1 134 134 LEU N N 15 120.010172 0 . . . . . . . 132 LEU N . 52146 1
507 . 1 . 1 135 135 LYS H H 1 7.745267087 0 . . . . . . . 133 LYS H . 52146 1
508 . 1 . 1 135 135 LYS C C 13 175.5572061 0 . . . . . . . 133 LYS C . 52146 1
509 . 1 . 1 135 135 LYS CB C 13 31.8921957 0 . . . . . . . 133 LYS CB . 52146 1
510 . 1 . 1 135 135 LYS N N 15 117.9824471 0 . . . . . . . 133 LYS N . 52146 1
511 . 1 . 1 136 136 SER H H 1 7.376768593 0 . . . . . . . 134 SER H . 52146 1
512 . 1 . 1 136 136 SER C C 13 178.2141476 0 . . . . . . . 134 SER C . 52146 1
513 . 1 . 1 136 136 SER CA C 13 60.34091014 0 . . . . . . . 134 SER CA . 52146 1
514 . 1 . 1 136 136 SER CB C 13 64.17054477 0 . . . . . . . 134 SER CB . 52146 1
515 . 1 . 1 136 136 SER N N 15 121.793077 0 . . . . . . . 134 SER N . 52146 1
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