###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16659
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 16659 1
2 '3D CBCA(CO)NH' . . . 16659 1
3 '3D HNCACB' . . . 16659 1
4 '3D C(CO)NH' . . . 16659 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 $NMRView . . 16659 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 MET H H 1 8.527 0.03 . 1 . . . . 1 M H . 16659 1
2 . 1 1 3 3 MET CA C 13 54.970 0.4 . 1 . . . . 1 M CA . 16659 1
3 . 1 1 3 3 MET CB C 13 32.289 0.4 . 1 . . . . 1 M CB . 16659 1
4 . 1 1 3 3 MET N N 15 122.280 0.4 . 1 . . . . 1 M N . 16659 1
5 . 1 1 4 4 THR H H 1 8.145 0.03 . 1 . . . . 2 T HN . 16659 1
6 . 1 1 4 4 THR CA C 13 59.391 0.4 . 1 . . . . 2 T CA . 16659 1
7 . 1 1 4 4 THR CB C 13 69.167 0.4 . 1 . . . . 2 T CB . 16659 1
8 . 1 1 4 4 THR N N 15 118.662 0.4 . 1 . . . . 2 T N . 16659 1
9 . 1 1 5 5 PRO CA C 13 62.617 0.4 . 1 . . . . 3 P CA . 16659 1
10 . 1 1 5 5 PRO CB C 13 31.889 0.4 . 1 . . . . 3 P CB . 16659 1
11 . 1 1 6 6 SER H H 1 8.381 0.03 . 1 . . . . 4 S HN . 16659 1
12 . 1 1 6 6 SER CA C 13 58.046 0.4 . 1 . . . . 4 S CA . 16659 1
13 . 1 1 6 6 SER CB C 13 63.434 0.4 . 1 . . . . 4 S CB . 16659 1
14 . 1 1 6 6 SER N N 15 117.473 0.4 . 1 . . . . 4 S N . 16659 1
15 . 1 1 7 7 TPO H H 1 9.035 0.03 . 1 . . . . 5 T HN . 16659 1
16 . 1 1 7 7 TPO CA C 13 60.188 0.4 . 1 . . . . 5 T CA . 16659 1
17 . 1 1 7 7 TPO CB C 13 71.974 0.4 . 1 . . . . 5 T CB . 16659 1
18 . 1 1 7 7 TPO N N 15 122.754 0.4 . 1 . . . . 5 T N . 16659 1
19 . 1 1 9 9 PRO CA C 13 62.616 0.4 . 1 . . . . 7 P CA . 16659 1
20 . 1 1 9 9 PRO CB C 13 31.699 0.4 . 1 . . . . 7 P CB . 16659 1
21 . 1 1 10 10 ARG H H 1 8.418 0.03 . 1 . . . . 8 R HN . 16659 1
22 . 1 1 10 10 ARG CA C 13 55.679 0.4 . 1 . . . . 8 R CA . 16659 1
23 . 1 1 10 10 ARG CB C 13 30.365 0.4 . 1 . . . . 8 R CB . 16659 1
24 . 1 1 10 10 ARG N N 15 121.415 0.4 . 1 . . . . 8 R N . 16659 1
25 . 1 1 11 11 SER H H 1 8.269 0.03 . 1 . . . . 9 S HN . 16659 1
26 . 1 1 11 11 SER CA C 13 57.797 0.4 . 1 . . . . 9 S CA . 16659 1
27 . 1 1 11 11 SER CB C 13 63.286 0.4 . 1 . . . . 9 S CB . 16659 1
28 . 1 1 11 11 SER N N 15 116.950 0.4 . 1 . . . . 9 S N . 16659 1
29 . 1 1 12 12 ARG H H 1 8.383 0.03 . 1 . . . . 10 R HN . 16659 1
30 . 1 1 12 12 ARG CA C 13 55.269 0.4 . 1 . . . . 10 R CA . 16659 1
31 . 1 1 12 12 ARG CB C 13 31.975 0.4 . 1 . . . . 10 R CB . 16659 1
32 . 1 1 12 12 ARG N N 15 123.367 0.4 . 1 . . . . 10 R N . 16659 1
33 . 1 1 13 13 GLY H H 1 8.331 0.03 . 1 . . . . 11 G HN . 16659 1
34 . 1 1 13 13 GLY CA C 13 44.818 0.4 . 1 . . . . 11 G CA . 16659 1
35 . 1 1 13 13 GLY N N 15 109.622 0.4 . 1 . . . . 11 G N . 16659 1
36 . 1 1 14 14 THR H H 1 8.012 0.03 . 1 . . . . 12 T HN . 16659 1
37 . 1 1 14 14 THR CA C 13 61.796 0.4 . 1 . . . . 12 T CA . 16659 1
38 . 1 1 14 14 THR CB C 13 69.272 0.4 . 1 . . . . 12 T CB . 16659 1
39 . 1 1 14 14 THR N N 15 114.186 0.4 . 1 . . . . 12 T N . 16659 1
40 . 1 1 15 15 ARG H H 1 8.253 0.03 . 1 . . . . 13 R HN . 16659 1
41 . 1 1 15 15 ARG CA C 13 55.891 0.4 . 1 . . . . 13 R CA . 16659 1
42 . 1 1 15 15 ARG CB C 13 30.222 0.4 . 1 . . . . 13 R CB . 16659 1
43 . 1 1 15 15 ARG N N 15 123.589 0.4 . 1 . . . . 13 R N . 16659 1
44 . 1 1 16 16 TYR H H 1 8.096 0.03 . 1 . . . . 14 Y HN . 16659 1
45 . 1 1 16 16 TYR CA C 13 57.469 0.4 . 1 . . . . 14 Y CA . 16659 1
46 . 1 1 16 16 TYR CB C 13 38.295 0.4 . 1 . . . . 14 Y CB . 16659 1
47 . 1 1 16 16 TYR N N 15 121.608 0.4 . 1 . . . . 14 Y N . 16659 1
48 . 1 1 17 17 LEU H H 1 7.909 0.03 . 1 . . . . 15 L HN . 16659 1
49 . 1 1 17 17 LEU CA C 13 54.165 0.4 . 1 . . . . 15 L CA . 16659 1
50 . 1 1 17 17 LEU CB C 13 42.183 0.4 . 1 . . . . 15 L CB . 16659 1
51 . 1 1 17 17 LEU N N 15 124.969 0.4 . 1 . . . . 15 L N . 16659 1
52 . 1 1 18 18 ALA H H 1 8.069 0.03 . 1 . . . . 16 A HN . 16659 1
53 . 1 1 18 18 ALA CA C 13 51.845 0.4 . 1 . . . . 16 A CA . 16659 1
54 . 1 1 18 18 ALA CB C 13 18.763 0.4 . 1 . . . . 16 A CB . 16659 1
55 . 1 1 18 18 ALA N N 15 125.303 0.4 . 1 . . . . 16 A N . 16659 1
56 . 1 1 19 19 GLN H H 1 8.222 0.03 . 1 . . . . 17 Q HN . 16659 1
57 . 1 1 19 19 GLN CA C 13 53.051 0.4 . 1 . . . . 17 Q CA . 16659 1
58 . 1 1 19 19 GLN CB C 13 28.593 0.4 . 1 . . . . 17 Q CB . 16659 1
59 . 1 1 19 19 GLN N N 15 120.706 0.4 . 1 . . . . 17 Q N . 16659 1
60 . 1 1 20 20 PRO CA C 13 62.737 0.4 . 1 . . . . 18 P CA . 16659 1
61 . 1 1 20 20 PRO CB C 13 31.747 0.4 . 1 . . . . 18 P CB . 16659 1
62 . 1 1 21 21 SER H H 1 8.408 0.03 . 1 . . . . 19 S HN . 16659 1
63 . 1 1 21 21 SER CA C 13 58.039 0.4 . 1 . . . . 19 S CA . 16659 1
64 . 1 1 21 21 SER CB C 13 63.425 0.4 . 1 . . . . 19 S CB . 16659 1
65 . 1 1 21 21 SER N N 15 116.468 0.4 . 1 . . . . 19 S N . 16659 1
66 . 1 1 22 22 GLY H H 1 8.351 0.03 . 1 . . . . 20 G HN . 16659 1
67 . 1 1 22 22 GLY CA C 13 44.896 0.4 . 1 . . . . 20 G CA . 16659 1
68 . 1 1 22 22 GLY N N 15 110.736 0.4 . 1 . . . . 20 G N . 16659 1
69 . 1 1 23 23 ASN H H 1 8.271 0.03 . 1 . . . . 21 N HN . 16659 1
70 . 1 1 23 23 ASN CA C 13 52.802 0.4 . 1 . . . . 21 N CA . 16659 1
71 . 1 1 23 23 ASN CB C 13 38.499 0.4 . 1 . . . . 21 N CB . 16659 1
72 . 1 1 23 23 ASN N N 15 118.906 0.4 . 1 . . . . 21 N N . 16659 1
73 . 1 1 24 24 THR H H 1 8.161 0.03 . 1 . . . . 22 T HN . 16659 1
74 . 1 1 24 24 THR CA C 13 61.478 0.4 . 1 . . . . 22 T CA . 16659 1
75 . 1 1 24 24 THR CB C 13 69.214 0.4 . 1 . . . . 22 T CB . 16659 1
76 . 1 1 24 24 THR N N 15 114.587 0.4 . 1 . . . . 22 T N . 16659 1
77 . 1 1 25 25 SER H H 1 8.305 0.03 . 1 . . . . 23 S HN . 16659 1
78 . 1 1 25 25 SER CA C 13 58.213 0.4 . 1 . . . . 23 S CA . 16659 1
79 . 1 1 25 25 SER CB C 13 63.189 0.4 . 1 . . . . 23 S CB . 16659 1
80 . 1 1 25 25 SER N N 15 118.298 0.4 . 1 . . . . 23 S N . 16659 1
81 . 1 1 26 26 SER H H 1 8.333 0.03 . 1 . . . . 24 S HN . 16659 1
82 . 1 1 26 26 SER CA C 13 58.329 0.4 . 1 . . . . 24 S CA . 16659 1
83 . 1 1 26 26 SER CB C 13 63.157 0.4 . 1 . . . . 24 S CB . 16659 1
84 . 1 1 26 26 SER N N 15 118.059 0.4 . 1 . . . . 24 S N . 16659 1
85 . 1 1 27 27 SER H H 1 8.226 0.03 . 1 . . . . 25 S HN . 16659 1
86 . 1 1 27 27 SER CA C 13 58.329 0.4 . 1 . . . . 25 S CA . 16659 1
87 . 1 1 27 27 SER CB C 13 63.157 0.4 . 1 . . . . 25 S CB . 16659 1
88 . 1 1 27 27 SER N N 15 118.143 0.4 . 1 . . . . 25 S N . 16659 1
89 . 1 1 28 28 ALA H H 1 8.125 0.03 . 1 . . . . 26 A HN . 16659 1
90 . 1 1 28 28 ALA CA C 13 52.572 0.4 . 1 . . . . 26 A CA . 16659 1
91 . 1 1 28 28 ALA CB C 13 18.640 0.4 . 1 . . . . 26 A CB . 16659 1
92 . 1 1 28 28 ALA N N 15 125.822 0.4 . 1 . . . . 26 A N . 16659 1
93 . 1 1 29 29 LEU H H 1 7.934 0.03 . 1 . . . . 27 L HN . 16659 1
94 . 1 1 29 29 LEU CA C 13 54.959 0.4 . 1 . . . . 27 L CA . 16659 1
95 . 1 1 29 29 LEU CB C 13 41.759 0.4 . 1 . . . . 27 L CB . 16659 1
96 . 1 1 29 29 LEU N N 15 120.252 0.4 . 1 . . . . 27 L N . 16659 1
97 . 1 1 30 30 MET H H 1 8.090 0.03 . 1 . . . . 28 M HN . 16659 1
98 . 1 1 30 30 MET CA C 13 54.995 0.4 . 1 . . . . 28 M CA . 16659 1
99 . 1 1 30 30 MET CB C 13 32.208 0.4 . 1 . . . . 28 M CB . 16659 1
100 . 1 1 30 30 MET N N 15 120.520 0.4 . 1 . . . . 28 M N . 16659 1
101 . 1 1 31 31 GLN H H 1 8.227 0.03 . 1 . . . . 29 Q HN . 16659 1
102 . 1 1 31 31 GLN CA C 13 55.720 0.4 . 1 . . . . 29 Q CA . 16659 1
103 . 1 1 31 31 GLN CB C 13 28.976 0.4 . 1 . . . . 29 Q CB . 16659 1
104 . 1 1 31 31 GLN N N 15 121.384 0.4 . 1 . . . . 29 Q N . 16659 1
105 . 1 1 32 32 GLY H H 1 8.389 0.03 . 1 . . . . 30 G HN . 16659 1
106 . 1 1 32 32 GLY CA C 13 44.859 0.4 . 1 . . . . 30 G CA . 16659 1
107 . 1 1 32 32 GLY N N 15 110.453 0.4 . 1 . . . . 30 G N . 16659 1
108 . 1 1 33 33 GLN H H 1 8.096 0.03 . 1 . . . . 31 Q HN . 16659 1
109 . 1 1 33 33 GLN CA C 13 55.426 0.4 . 1 . . . . 31 Q CA . 16659 1
110 . 1 1 33 33 GLN CB C 13 29.358 0.4 . 1 . . . . 31 Q CB . 16659 1
111 . 1 1 33 33 GLN N N 15 119.769 0.4 . 1 . . . . 31 Q N . 16659 1
112 . 1 1 34 34 LYS H H 1 8.284 0.03 . 1 . . . . 32 K HN . 16659 1
113 . 1 1 34 34 LYS CA C 13 55.502 0.4 . 1 . . . . 32 K CA . 16659 1
114 . 1 1 34 34 LYS CB C 13 32.891 0.4 . 1 . . . . 32 K CB . 16659 1
115 . 1 1 34 34 LYS N N 15 123.661 0.4 . 1 . . . . 32 K N . 16659 1
116 . 1 1 35 35 TPO H H 1 9.384 0.03 . 1 . . . . 33 T HN . 16659 1
117 . 1 1 35 35 TPO CA C 13 60.881 0.4 . 1 . . . . 33 T CA . 16659 1
118 . 1 1 35 35 TPO CB C 13 71.752 0.4 . 1 . . . . 33 T CB . 16659 1
119 . 1 1 35 35 TPO N N 15 124.407 0.4 . 1 . . . . 33 T N . 16659 1
120 . 1 1 36 36 PRO CA C 13 62.714 0.4 . 1 . . . . 34 P CA . 16659 1
121 . 1 1 36 36 PRO CB C 13 31.868 0.4 . 1 . . . . 34 P CB . 16659 1
122 . 1 1 37 37 GLN H H 1 8.453 0.03 . 1 . . . . 35 Q HN . 16659 1
123 . 1 1 37 37 GLN CA C 13 55.103 0.4 . 1 . . . . 35 Q CA . 16659 1
124 . 1 1 37 37 GLN CB C 13 29.259 0.4 . 1 . . . . 35 Q CB . 16659 1
125 . 1 1 37 37 GLN N N 15 121.722 0.4 . 1 . . . . 35 Q N . 16659 1
126 . 1 1 38 38 LYS H H 1 8.434 0.03 . 1 . . . . 36 K HN . 16659 1
127 . 1 1 38 38 LYS CA C 13 53.918 0.4 . 1 . . . . 36 K CA . 16659 1
128 . 1 1 38 38 LYS CB C 13 31.942 0.4 . 1 . . . . 36 K CB . 16659 1
129 . 1 1 38 38 LYS N N 15 124.997 0.4 . 1 . . . . 36 K N . 16659 1
130 . 1 1 39 39 PRO CA C 13 62.593 0.4 . 1 . . . . 37 P CA . 16659 1
131 . 1 1 39 39 PRO CB C 13 31.781 0.4 . 1 . . . . 37 P CB . 16659 1
132 . 1 1 40 40 SER H H 1 8.384 0.03 . 1 . . . . 38 S HN . 16659 1
133 . 1 1 40 40 SER CA C 13 58.013 0.4 . 1 . . . . 38 S CA . 16659 1
134 . 1 1 40 40 SER CB C 13 63.212 0.4 . 1 . . . . 38 S CB . 16659 1
135 . 1 1 40 40 SER N N 15 116.450 0.4 . 1 . . . . 38 S N . 16659 1
136 . 1 1 41 41 GLN H H 1 8.365 0.03 . 1 . . . . 39 Q HN . 16659 1
137 . 1 1 41 41 GLN CA C 13 55.321 0.4 . 1 . . . . 39 Q CA . 16659 1
138 . 1 1 41 41 GLN CB C 13 29.288 0.4 . 1 . . . . 39 Q CB . 16659 1
139 . 1 1 41 41 GLN N N 15 122.162 0.4 . 1 . . . . 39 Q N . 16659 1
140 . 1 1 42 42 ASN H H 1 8.362 0.03 . 1 . . . . 40 N HN . 16659 1
141 . 1 1 42 42 ASN CA C 13 52.798 0.4 . 1 . . . . 40 N CA . 16659 1
142 . 1 1 42 42 ASN CB C 13 38.295 0.4 . 1 . . . . 40 N CB . 16659 1
143 . 1 1 42 42 ASN N N 15 119.844 0.4 . 1 . . . . 40 N N . 16659 1
144 . 1 1 43 43 LEU H H 1 8.168 0.03 . 1 . . . . 41 L HN . 16659 1
145 . 1 1 43 43 LEU CA C 13 54.651 0.4 . 1 . . . . 41 L CA . 16659 1
146 . 1 1 43 43 LEU CB C 13 41.803 0.4 . 1 . . . . 41 L CB . 16659 1
147 . 1 1 43 43 LEU N N 15 122.868 0.4 . 1 . . . . 41 L N . 16659 1
148 . 1 1 44 44 VAL H H 1 8.048 0.03 . 1 . . . . 42 V HN . 16659 1
149 . 1 1 44 44 VAL CA C 13 59.447 0.4 . 1 . . . . 42 V CA . 16659 1
150 . 1 1 44 44 VAL CB C 13 32.206 0.4 . 1 . . . . 42 V CB . 16659 1
151 . 1 1 44 44 VAL N N 15 123.492 0.4 . 1 . . . . 42 V N . 16659 1
152 . 1 1 45 45 PRO CA C 13 62.541 0.4 . 1 . . . . 43 P CA . 16659 1
153 . 1 1 45 45 PRO CB C 13 31.867 0.4 . 1 . . . . 43 P CB . 16659 1
154 . 1 1 46 46 VAL H H 1 8.158 0.03 . 1 . . . . 44 V HN . 16659 1
155 . 1 1 46 46 VAL CA C 13 61.403 0.4 . 1 . . . . 44 V CA . 16659 1
156 . 1 1 46 46 VAL CB C 13 32.673 0.4 . 1 . . . . 44 V CB . 16659 1
157 . 1 1 46 46 VAL N N 15 121.257 0.4 . 1 . . . . 44 V N . 16659 1
158 . 1 1 47 47 TPO H H 1 8.978 0.03 . 1 . . . . 45 T HN . 16659 1
159 . 1 1 47 47 TPO CA C 13 59.907 0.4 . 1 . . . . 45 T CA . 16659 1
160 . 1 1 47 47 TPO CB C 13 71.186 0.4 . 1 . . . . 45 T CB . 16659 1
161 . 1 1 47 47 TPO N N 15 124.126 0.4 . 1 . . . . 45 T N . 16659 1
162 . 1 1 48 48 PRO CA C 13 63.380 0.4 . 1 . . . . 46 P CA . 16659 1
163 . 1 1 48 48 PRO CB C 13 31.944 0.4 . 1 . . . . 46 P CB . 16659 1
164 . 1 1 49 49 SER H H 1 8.730 0.03 . 1 . . . . 47 S HN . 16659 1
165 . 1 1 49 49 SER CA C 13 59.076 0.4 . 1 . . . . 47 S CA . 16659 1
166 . 1 1 49 49 SER CB C 13 62.649 0.4 . 1 . . . . 47 S CB . 16659 1
167 . 1 1 49 49 SER N N 15 117.328 0.4 . 1 . . . . 47 S N . 16659 1
168 . 1 1 50 50 THR H H 1 8.076 0.03 . 1 . . . . 48 T HN . 16659 1
169 . 1 1 50 50 THR CA C 13 61.956 0.4 . 1 . . . . 48 T CA . 16659 1
170 . 1 1 50 50 THR CB C 13 69.069 0.4 . 1 . . . . 48 T CB . 16659 1
171 . 1 1 50 50 THR N N 15 115.713 0.4 . 1 . . . . 48 T N . 16659 1
172 . 1 1 51 51 THR H H 1 7.957 0.03 . 1 . . . . 49 T HN . 16659 1
173 . 1 1 51 51 THR CA C 13 61.971 0.4 . 1 . . . . 49 T CA . 16659 1
174 . 1 1 51 51 THR CB C 13 69.106 0.4 . 1 . . . . 49 T CB . 16659 1
175 . 1 1 51 51 THR N N 15 116.663 0.4 . 1 . . . . 49 T N . 16659 1
176 . 1 1 52 52 LYS H H 1 8.172 0.03 . 1 . . . . 50 K HN . 16659 1
177 . 1 1 52 52 LYS CA C 13 56.027 0.4 . 1 . . . . 50 K CA . 16659 1
178 . 1 1 52 52 LYS CB C 13 32.564 0.4 . 1 . . . . 50 K CB . 16659 1
179 . 1 1 52 52 LYS N N 15 124.007 0.4 . 1 . . . . 50 K N . 16659 1
180 . 1 1 53 53 SER H H 1 8.093 0.03 . 1 . . . . 51 S HN . 16659 1
181 . 1 1 53 53 SER CA C 13 57.838 0.4 . 1 . . . . 51 S CA . 16659 1
182 . 1 1 53 53 SER CB C 13 63.355 0.4 . 1 . . . . 51 S CB . 16659 1
183 . 1 1 53 53 SER N N 15 116.730 0.4 . 1 . . . . 51 S N . 16659 1
184 . 1 1 54 54 PHE H H 1 8.167 0.03 . 1 . . . . 52 F HN . 16659 1
185 . 1 1 54 54 PHE CA C 13 57.376 0.4 . 1 . . . . 52 F CA . 16659 1
186 . 1 1 54 54 PHE CB C 13 39.103 0.4 . 1 . . . . 52 F CB . 16659 1
187 . 1 1 54 54 PHE N N 15 122.572 0.4 . 1 . . . . 52 F N . 16659 1
188 . 1 1 55 55 LYS H H 1 8.081 0.03 . 1 . . . . 53 K HN . 16659 1
189 . 1 1 55 55 LYS CA C 13 55.870 0.4 . 1 . . . . 53 K CA . 16659 1
190 . 1 1 55 55 LYS CB C 13 32.748 0.4 . 1 . . . . 53 K CB . 16659 1
191 . 1 1 55 55 LYS N N 15 122.908 0.4 . 1 . . . . 53 K N . 16659 1
192 . 1 1 56 56 ASN H H 1 8.185 0.03 . 1 . . . . 54 N HN . 16659 1
193 . 1 1 56 56 ASN CA C 13 52.580 0.4 . 1 . . . . 54 N CA . 16659 1
194 . 1 1 56 56 ASN CB C 13 38.563 0.4 . 1 . . . . 54 N CB . 16659 1
195 . 1 1 56 56 ASN N N 15 119.451 0.4 . 1 . . . . 54 N N . 16659 1
196 . 1 1 57 57 ALA H H 1 8.067 0.03 . 1 . . . . 55 A HN . 16659 1
197 . 1 1 57 57 ALA CA C 13 50.295 0.4 . 1 . . . . 55 A CA . 16659 1
198 . 1 1 57 57 ALA CB C 13 17.747 0.4 . 1 . . . . 55 A CB . 16659 1
199 . 1 1 57 57 ALA N N 15 125.639 0.4 . 1 . . . . 55 A N . 16659 1
200 . 1 1 58 58 PRO CA C 13 62.435 0.4 . 1 . . . . 56 P CA . 16659 1
201 . 1 1 58 58 PRO CB C 13 31.695 0.4 . 1 . . . . 56 P CB . 16659 1
202 . 1 1 59 59 LEU H H 1 8.241 0.03 . 1 . . . . 57 L HN . 16659 1
203 . 1 1 59 59 LEU CA C 13 54.749 0.4 . 1 . . . . 57 L CA . 16659 1
204 . 1 1 59 59 LEU CB C 13 41.952 0.4 . 1 . . . . 57 L CB . 16659 1
205 . 1 1 59 59 LEU N N 15 122.557 0.4 . 1 . . . . 57 L N . 16659 1
206 . 1 1 60 60 LEU H H 1 8.122 0.03 . 1 . . . . 58 L HN . 16659 1
207 . 1 1 60 60 LEU CA C 13 54.091 0.4 . 1 . . . . 58 L CA . 16659 1
208 . 1 1 60 60 LEU CB C 13 42.003 0.4 . 1 . . . . 58 L CB . 16659 1
209 . 1 1 60 60 LEU N N 15 123.839 0.4 . 1 . . . . 58 L N . 16659 1
210 . 1 1 61 61 ALA H H 1 8.137 0.03 . 1 . . . . 59 A HN . 16659 1
211 . 1 1 61 61 ALA CA C 13 49.857 0.4 . 1 . . . . 59 A CA . 16659 1
212 . 1 1 61 61 ALA CB C 13 17.819 0.4 . 1 . . . . 59 A CB . 16659 1
213 . 1 1 61 61 ALA N N 15 126.693 0.4 . 1 . . . . 59 A N . 16659 1
214 . 1 1 63 63 PRO CA C 13 62.592 0.4 . 1 . . . . 61 P CA . 16659 1
215 . 1 1 63 63 PRO CB C 13 31.650 0.4 . 1 . . . . 61 P CB . 16659 1
216 . 1 1 64 64 ASN H H 1 8.445 0.03 . 1 . . . . 62 N HN . 16659 1
217 . 1 1 64 64 ASN CA C 13 52.827 0.4 . 1 . . . . 62 N CA . 16659 1
218 . 1 1 64 64 ASN CB C 13 38.345 0.4 . 1 . . . . 62 N CB . 16659 1
219 . 1 1 64 64 ASN N N 15 118.672 0.4 . 1 . . . . 62 N N . 16659 1
220 . 1 1 65 65 SER H H 1 8.244 0.03 . 1 . . . . 63 S HN . 16659 1
221 . 1 1 65 65 SER CA C 13 58.221 0.4 . 1 . . . . 63 S CA . 16659 1
222 . 1 1 65 65 SER CB C 13 63.292 0.4 . 1 . . . . 63 S CB . 16659 1
223 . 1 1 65 65 SER N N 15 116.505 0.4 . 1 . . . . 63 S N . 16659 1
224 . 1 1 66 66 ASN H H 1 8.426 0.03 . 1 . . . . 64 N HN . 16659 1
225 . 1 1 66 66 ASN CA C 13 52.934 0.4 . 1 . . . . 64 N CA . 16659 1
226 . 1 1 66 66 ASN CB C 13 38.141 0.4 . 1 . . . . 64 N CB . 16659 1
227 . 1 1 66 66 ASN N N 15 120.517 0.4 . 1 . . . . 64 N N . 16659 1
228 . 1 1 67 67 MET H H 1 8.182 0.03 . 1 . . . . 65 M HN . 16659 1
229 . 1 1 67 67 MET CA C 13 55.269 0.4 . 1 . . . . 65 M CA . 16659 1
230 . 1 1 67 67 MET CB C 13 31.975 0.4 . 1 . . . . 65 M CB . 16659 1
231 . 1 1 67 67 MET N N 15 120.238 0.4 . 1 . . . . 65 M N . 16659 1
232 . 1 1 68 68 GLY H H 1 8.347 0.03 . 1 . . . . 66 G HN . 16659 1
233 . 1 1 68 68 GLY CA C 13 44.970 0.4 . 1 . . . . 66 G CA . 16659 1
234 . 1 1 68 68 GLY N N 15 109.797 0.4 . 1 . . . . 66 G N . 16659 1
235 . 1 1 69 69 MET H H 1 8.036 0.03 . 1 . . . . 67 M HN . 16659 1
236 . 1 1 69 69 MET CA C 13 54.938 0.4 . 1 . . . . 67 M CA . 16659 1
237 . 1 1 69 69 MET CB C 13 32.608 0.4 . 1 . . . . 67 M CB . 16659 1
238 . 1 1 69 69 MET N N 15 119.420 0.4 . 1 . . . . 67 M N . 16659 1
239 . 1 1 70 70 THR H H 1 8.111 0.03 . 1 . . . . 68 T HN . 16659 1
240 . 1 1 70 70 THR CA C 13 61.329 0.4 . 1 . . . . 68 T CA . 16659 1
241 . 1 1 70 70 THR CB C 13 69.477 0.4 . 1 . . . . 68 T CB . 16659 1
242 . 1 1 70 70 THR N N 15 115.477 0.4 . 1 . . . . 68 T N . 16659 1
243 . 1 1 71 71 SEP H H 1 8.704 0.03 . 1 . . . . 69 S HN . 16659 1
244 . 1 1 71 71 SEP CA C 13 55.887 0.4 . 1 . . . . 69 S CA . 16659 1
245 . 1 1 71 71 SEP CB C 13 64.165 0.4 . 1 . . . . 69 S CB . 16659 1
246 . 1 1 71 71 SEP N N 15 121.206 0.4 . 1 . . . . 69 S N . 16659 1
247 . 1 1 72 72 PRO CA C 13 62.847 0.4 . 1 . . . . 70 P CA . 16659 1
248 . 1 1 72 72 PRO CB C 13 31.704 0.4 . 1 . . . . 70 P CB . 16659 1
249 . 1 1 73 73 PHE H H 1 8.388 0.03 . 1 . . . . 71 F HN . 16659 1
250 . 1 1 73 73 PHE CA C 13 57.436 0.4 . 1 . . . . 71 F CA . 16659 1
251 . 1 1 73 73 PHE CB C 13 38.686 0.4 . 1 . . . . 71 F CB . 16659 1
252 . 1 1 73 73 PHE N N 15 121.338 0.4 . 1 . . . . 71 F N . 16659 1
253 . 1 1 74 74 ASN H H 1 8.224 0.03 . 1 . . . . 72 N HN . 16659 1
254 . 1 1 74 74 ASN CA C 13 52.493 0.4 . 1 . . . . 72 N CA . 16659 1
255 . 1 1 74 74 ASN CB C 13 38.581 0.4 . 1 . . . . 72 N CB . 16659 1
256 . 1 1 74 74 ASN N N 15 123.083 0.4 . 1 . . . . 72 N N . 16659 1
257 . 1 1 75 75 GLY H H 1 7.244 0.03 . 1 . . . . 73 G HN . 16659 1
258 . 1 1 75 75 GLY CA C 13 44.949 0.4 . 1 . . . . 73 G CA . 16659 1
259 . 1 1 75 75 GLY N N 15 108.321 0.4 . 1 . . . . 73 G N . 16659 1
260 . 1 1 76 76 LEU H H 1 7.969 0.03 . 1 . . . . 74 L HN . 16659 1
261 . 1 1 76 76 LEU CA C 13 54.592 0.4 . 1 . . . . 74 L CA . 16659 1
262 . 1 1 76 76 LEU CB C 13 41.943 0.4 . 1 . . . . 74 L CB . 16659 1
263 . 1 1 76 76 LEU N N 15 121.235 0.4 . 1 . . . . 74 L N . 16659 1
264 . 1 1 77 77 THR H H 1 8.038 0.03 . 1 . . . . 75 T HN . 16659 1
265 . 1 1 77 77 THR CA C 13 61.094 0.4 . 1 . . . . 75 T CA . 16659 1
266 . 1 1 77 77 THR CB C 13 69.536 0.4 . 1 . . . . 75 T CB . 16659 1
267 . 1 1 77 77 THR N N 15 114.868 0.4 . 1 . . . . 75 T N . 16659 1
268 . 1 1 78 78 SEP H H 1 8.626 0.03 . 1 . . . . 76 S HN . 16659 1
269 . 1 1 78 78 SEP CA C 13 55.860 0.4 . 1 . . . . 76 S CA . 16659 1
270 . 1 1 78 78 SEP CB C 13 64.163 0.4 . 1 . . . . 76 S CB . 16659 1
271 . 1 1 78 78 SEP N N 15 120.705 0.4 . 1 . . . . 76 S N . 16659 1
272 . 1 1 79 79 PRO CA C 13 62.817 0.4 . 1 . . . . 77 P CA . 16659 1
273 . 1 1 79 79 PRO CB C 13 31.771 0.4 . 1 . . . . 77 P CB . 16659 1
274 . 1 1 80 80 GLN H H 1 8.401 0.03 . 1 . . . . 78 Q HN . 16659 1
275 . 1 1 80 80 GLN CA C 13 55.256 0.4 . 1 . . . . 78 Q CA . 16659 1
276 . 1 1 80 80 GLN CB C 13 30.891 0.4 . 1 . . . . 78 Q CB . 16659 1
277 . 1 1 80 80 GLN N N 15 121.000 0.4 . 1 . . . . 78 Q N . 16659 1
278 . 1 1 81 81 ARG H H 1 8.355 0.03 . 1 . . . . 79 R HN . 16659 1
279 . 1 1 81 81 ARG CA C 13 55.126 0.4 . 1 . . . . 79 R CA . 16659 1
280 . 1 1 81 81 ARG CB C 13 30.895 0.4 . 1 . . . . 79 R CB . 16659 1
281 . 1 1 81 81 ARG N N 15 123.848 0.4 . 1 . . . . 79 R N . 16659 1
282 . 1 1 82 82 SEP H H 1 8.825 0.03 . 1 . . . . 80 S HN . 16659 1
283 . 1 1 82 82 SEP CA C 13 55.718 0.4 . 1 . . . . 80 S CA . 16659 1
284 . 1 1 82 82 SEP CB C 13 64.085 0.4 . 1 . . . . 80 S CB . 16659 1
285 . 1 1 82 82 SEP N N 15 120.042 0.4 . 1 . . . . 80 S N . 16659 1
286 . 1 1 83 83 PRO CA C 13 62.964 0.4 . 1 . . . . 81 P CA . 16659 1
287 . 1 1 83 83 PRO CB C 13 31.579 0.4 . 1 . . . . 81 P CB . 16659 1
288 . 1 1 84 84 PHE H H 1 8.024 0.03 . 1 . . . . 82 F HN . 16659 1
289 . 1 1 84 84 PHE CA C 13 55.062 0.4 . 1 . . . . 82 F CA . 16659 1
290 . 1 1 84 84 PHE CB C 13 38.350 0.4 . 1 . . . . 82 F CB . 16659 1
291 . 1 1 84 84 PHE N N 15 120.453 0.4 . 1 . . . . 82 F N . 16659 1
292 . 1 1 85 85 PRO CA C 13 62.445 0.4 . 1 . . . . 83 P CA . 16659 1
293 . 1 1 85 85 PRO CB C 13 31.689 0.4 . 1 . . . . 83 P CB . 16659 1
294 . 1 1 86 86 LYS H H 1 8.496 0.03 . 1 . . . . 84 K HN . 16659 1
295 . 1 1 86 86 LYS CA C 13 56.143 0.4 . 1 . . . . 84 K CA . 16659 1
296 . 1 1 86 86 LYS CB C 13 32.558 0.4 . 1 . . . . 84 K CB . 16659 1
297 . 1 1 86 86 LYS N N 15 122.496 0.4 . 1 . . . . 84 K N . 16659 1
298 . 1 1 87 87 SER H H 1 8.267 0.03 . 1 . . . . 85 S HN . 16659 1
299 . 1 1 87 87 SER CA C 13 57.895 0.4 . 1 . . . . 85 S CA . 16659 1
300 . 1 1 87 87 SER CB C 13 63.314 0.4 . 1 . . . . 85 S CB . 16659 1
301 . 1 1 87 87 SER N N 15 116.466 0.4 . 1 . . . . 85 S N . 16659 1
302 . 1 1 88 88 SER H H 1 8.330 0.03 . 1 . . . . 86 S HN . 16659 1
303 . 1 1 88 88 SER CA C 13 57.837 0.4 . 1 . . . . 86 S CA . 16659 1
304 . 1 1 88 88 SER CB C 13 63.314 0.4 . 1 . . . . 86 S CB . 16659 1
305 . 1 1 88 88 SER N N 15 118.502 0.4 . 1 . . . . 86 S N . 16659 1
306 . 1 1 89 89 VAL H H 1 7.971 0.03 . 1 . . . . 87 V HN . 16659 1
307 . 1 1 89 89 VAL CA C 13 61.861 0.4 . 1 . . . . 87 V CA . 16659 1
308 . 1 1 89 89 VAL CB C 13 32.282 0.4 . 1 . . . . 87 V CB . 16659 1
309 . 1 1 89 89 VAL N N 15 122.213 0.4 . 1 . . . . 87 V N . 16659 1
310 . 1 1 90 90 LYS H H 1 8.332 0.03 . 1 . . . . 88 K HN . 16659 1
311 . 1 1 90 90 LYS CA C 13 55.696 0.4 . 1 . . . . 88 K CA . 16659 1
312 . 1 1 90 90 LYS CB C 13 32.670 0.4 . 1 . . . . 88 K CB . 16659 1
313 . 1 1 90 90 LYS N N 15 126.530 0.4 . 1 . . . . 88 K N . 16659 1
314 . 1 1 91 91 ARG H H 1 8.442 0.03 . 1 . . . . 89 R HN . 16659 1
315 . 1 1 91 91 ARG CA C 13 55.665 0.4 . 1 . . . . 89 R CA . 16659 1
316 . 1 1 91 91 ARG CB C 13 30.528 0.4 . 1 . . . . 89 R CB . 16659 1
317 . 1 1 91 91 ARG N N 15 124.574 0.4 . 1 . . . . 89 R N . 16659 1
318 . 1 1 92 92 THR H H 1 7.721 0.03 . 1 . . . . 90 T HN . 16659 1
319 . 1 1 92 92 THR CA C 13 62.729 0.4 . 1 . . . . 90 T CA . 16659 1
320 . 1 1 92 92 THR CB C 13 70.111 0.4 . 1 . . . . 90 T CB . 16659 1
321 . 1 1 92 92 THR N N 15 120.822 0.4 . 1 . . . . 90 T N . 16659 1
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