###################################
# 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 50557
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chem shift list 1'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50557 1
2 '3D HNCO' . . . 50557 1
3 '3D HNCA' . . . 50557 1
4 '3D HN(CA)CO' . . . 50557 1
5 '3D HN(CO)CA' . . . 50557 1
6 '2D 1H-15N TROSY' . . . 50557 1
7 '3D HN(CO)CA' . . . 50557 1
8 '3D HNCA' . . . 50557 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 50557 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 4 4 MET H H 1 8.499 0.001 . . . . . . . 174 MET H . 50557 1
2 . 1 . 1 4 4 MET C C 13 176.833 0.006 . . . . . . . 174 MET C . 50557 1
3 . 1 . 1 4 4 MET CA C 13 55.614 0.0 . . . . . . . 174 MET CA . 50557 1
4 . 1 . 1 4 4 MET N N 15 123.607 0.001 . . . . . . . 174 MET N . 50557 1
5 . 1 . 1 5 5 GLY H H 1 8.415 0.003 . . . . . . . 175 GLY H . 50557 1
6 . 1 . 1 5 5 GLY C C 13 174.303 0.008 . . . . . . . 175 GLY C . 50557 1
7 . 1 . 1 5 5 GLY CA C 13 45.041 0.0 . . . . . . . 175 GLY CA . 50557 1
8 . 1 . 1 5 5 GLY N N 15 111.382 0.004 . . . . . . . 175 GLY N . 50557 1
9 . 1 . 1 6 6 SER H H 1 8.228 0.002 . . . . . . . 176 SER H . 50557 1
10 . 1 . 1 6 6 SER C C 13 174.984 0.007 . . . . . . . 176 SER C . 50557 1
11 . 1 . 1 6 6 SER CA C 13 58.458 0.048 . . . . . . . 176 SER CA . 50557 1
12 . 1 . 1 6 6 SER N N 15 116.669 0.003 . . . . . . . 176 SER N . 50557 1
13 . 1 . 1 7 7 ARG H H 1 8.45 0.002 . . . . . . . 177 ARG H . 50557 1
14 . 1 . 1 7 7 ARG C C 13 176.987 0.001 . . . . . . . 177 ARG C . 50557 1
15 . 1 . 1 7 7 ARG CA C 13 56.487 0.014 . . . . . . . 177 ARG CA . 50557 1
16 . 1 . 1 7 7 ARG N N 15 123.776 0.003 . . . . . . . 177 ARG N . 50557 1
17 . 1 . 1 8 8 GLY H H 1 8.371 0.004 . . . . . . . 178 GLY H . 50557 1
18 . 1 . 1 8 8 GLY C C 13 174.76 0.007 . . . . . . . 178 GLY C . 50557 1
19 . 1 . 1 8 8 GLY CA C 13 44.983 0.0 . . . . . . . 178 GLY CA . 50557 1
20 . 1 . 1 8 8 GLY N N 15 110.687 0.005 . . . . . . . 178 GLY N . 50557 1
21 . 1 . 1 9 9 GLY H H 1 8.23 0.003 . . . . . . . 179 GLY H . 50557 1
22 . 1 . 1 9 9 GLY C C 13 174.574 0.006 . . . . . . . 179 GLY C . 50557 1
23 . 1 . 1 9 9 GLY CA C 13 44.97 0.0 . . . . . . . 179 GLY CA . 50557 1
24 . 1 . 1 9 9 GLY N N 15 109.784 0.003 . . . . . . . 179 GLY N . 50557 1
25 . 1 . 1 10 10 SER H H 1 8.274 0.002 . . . . . . . 180 SER H . 50557 1
26 . 1 . 1 10 10 SER C C 13 174.998 0.009 . . . . . . . 180 SER C . 50557 1
27 . 1 . 1 10 10 SER CA C 13 58.61 0.067 . . . . . . . 180 SER CA . 50557 1
28 . 1 . 1 10 10 SER N N 15 116.689 0.002 . . . . . . . 180 SER N . 50557 1
29 . 1 . 1 11 11 GLN H H 1 8.455 0.001 . . . . . . . 181 GLN H . 50557 1
30 . 1 . 1 11 11 GLN C C 13 176.084 0.002 . . . . . . . 181 GLN C . 50557 1
31 . 1 . 1 11 11 GLN CA C 13 56.074 0.0 . . . . . . . 181 GLN CA . 50557 1
32 . 1 . 1 11 11 GLN N N 15 123.042 0.012 . . . . . . . 181 GLN N . 50557 1
33 . 1 . 1 12 12 ALA H H 1 8.247 0.0 . . . . . . . 182 ALA H . 50557 1
34 . 1 . 1 12 12 ALA C C 13 178.127 0.0 . . . . . . . 182 ALA C . 50557 1
35 . 1 . 1 12 12 ALA CA C 13 53.023 0.0 . . . . . . . 182 ALA CA . 50557 1
36 . 1 . 1 12 12 ALA N N 15 125.762 0.016 . . . . . . . 182 ALA N . 50557 1
37 . 1 . 1 13 13 SER H H 1 8.232 0.001 . . . . . . . 183 SER H . 50557 1
38 . 1 . 1 13 13 SER C C 13 174.961 0.01 . . . . . . . 183 SER C . 50557 1
39 . 1 . 1 13 13 SER CA C 13 58.561 0.070 . . . . . . . 183 SER CA . 50557 1
40 . 1 . 1 13 13 SER N N 15 115.662 0.001 . . . . . . . 183 SER N . 50557 1
41 . 1 . 1 14 14 SER H H 1 8.258 0.001 . . . . . . . 184 SER H . 50557 1
42 . 1 . 1 14 14 SER C C 13 174.835 0.003 . . . . . . . 184 SER C . 50557 1
43 . 1 . 1 14 14 SER N N 15 118.633 0.001 . . . . . . . 184 SER N . 50557 1
44 . 1 . 1 15 15 ARG H H 1 8.276 0.016 . . . . . . . 185 ARG H . 50557 1
45 . 1 . 1 15 15 ARG C C 13 176.702 0.01 . . . . . . . 185 ARG C . 50557 1
46 . 1 . 1 15 15 ARG CA C 13 56.491 0.015 . . . . . . . 185 ARG CA . 50557 1
47 . 1 . 1 15 15 ARG N N 15 123.548 0.001 . . . . . . . 185 ARG N . 50557 1
48 . 1 . 1 16 16 SER H H 1 8.271 0.001 . . . . . . . 186 SER H . 50557 1
49 . 1 . 1 16 16 SER CA C 13 58.641 0.0 . . . . . . . 186 SER CA . 50557 1
50 . 1 . 1 16 16 SER N N 15 117.502 0.003 . . . . . . . 186 SER N . 50557 1
51 . 1 . 1 17 17 SER C C 13 174.903 0.0 . . . . . . . 187 SER C . 50557 1
52 . 1 . 1 18 18 SER H H 1 8.321 0.0 . . . . . . . 188 SER H . 50557 1
53 . 1 . 1 18 18 SER C C 13 174.86 0.006 . . . . . . . 188 SER C . 50557 1
54 . 1 . 1 18 18 SER N N 15 118.748 0.006 . . . . . . . 188 SER N . 50557 1
55 . 1 . 1 19 19 ARG H H 1 8.24 0.001 . . . . . . . 189 ARG H . 50557 1
56 . 1 . 1 19 19 ARG C C 13 176.647 0.01 . . . . . . . 189 ARG C . 50557 1
57 . 1 . 1 19 19 ARG CA C 13 56.5 0.0 . . . . . . . 189 ARG CA . 50557 1
58 . 1 . 1 19 19 ARG N N 15 123.469 0.004 . . . . . . . 189 ARG N . 50557 1
59 . 1 . 1 20 20 SER H H 1 8.226 0.001 . . . . . . . 190 SER H . 50557 1
60 . 1 . 1 20 20 SER C C 13 174.885 0.005 . . . . . . . 190 SER C . 50557 1
61 . 1 . 1 20 20 SER CA C 13 58.626 0.075 . . . . . . . 190 SER CA . 50557 1
62 . 1 . 1 20 20 SER N N 15 117.483 0.033 . . . . . . . 190 SER N . 50557 1
63 . 1 . 1 21 21 ARG H H 1 8.325 0.002 . . . . . . . 191 ARG H . 50557 1
64 . 1 . 1 21 21 ARG C C 13 176.347 0.005 . . . . . . . 191 ARG C . 50557 1
65 . 1 . 1 21 21 ARG CA C 13 56.516 0.0 . . . . . . . 191 ARG CA . 50557 1
66 . 1 . 1 21 21 ARG N N 15 123.746 0.009 . . . . . . . 191 ARG N . 50557 1
67 . 1 . 1 22 22 ASN H H 1 8.384 0.002 . . . . . . . 192 ASN H . 50557 1
68 . 1 . 1 22 22 ASN CA C 13 53.49 0.0 . . . . . . . 192 ASN CA . 50557 1
69 . 1 . 1 22 22 ASN N N 15 120.38 0.0 . . . . . . . 192 ASN N . 50557 1
70 . 1 . 1 24 24 SER C C 13 174.829 0.0 . . . . . . . 194 SER C . 50557 1
71 . 1 . 1 25 25 ARG H H 1 8.24 0.001 . . . . . . . 195 ARG H . 50557 1
72 . 1 . 1 25 25 ARG C C 13 176.207 0.009 . . . . . . . 195 ARG C . 50557 1
73 . 1 . 1 25 25 ARG CA C 13 56.491 0.052 . . . . . . . 195 ARG CA . 50557 1
74 . 1 . 1 25 25 ARG N N 15 123.292 0.064 . . . . . . . 195 ARG N . 50557 1
75 . 1 . 1 26 26 ASN H H 1 8.339 0.001 . . . . . . . 196 ASN H . 50557 1
76 . 1 . 1 26 26 ASN C C 13 175.185 0.008 . . . . . . . 196 ASN C . 50557 1
77 . 1 . 1 26 26 ASN CA C 13 53.353 0.0 . . . . . . . 196 ASN CA . 50557 1
78 . 1 . 1 26 26 ASN N N 15 120.316 0.0 . . . . . . . 196 ASN N . 50557 1
79 . 1 . 1 27 27 SER H H 1 8.193 0.001 . . . . . . . 197 SER H . 50557 1
80 . 1 . 1 27 27 SER C C 13 174.351 0.01 . . . . . . . 197 SER C . 50557 1
81 . 1 . 1 27 27 SER CA C 13 58.373 0.0 . . . . . . . 197 SER CA . 50557 1
82 . 1 . 1 27 27 SER N N 15 117.079 0.003 . . . . . . . 197 SER N . 50557 1
83 . 1 . 1 28 28 THR H H 1 8.186 0.001 . . . . . . . 198 THR H . 50557 1
84 . 1 . 1 28 28 THR CA C 13 59.85 0.0 . . . . . . . 198 THR CA . 50557 1
85 . 1 . 1 28 28 THR N N 15 118.64 0.002 . . . . . . . 198 THR N . 50557 1
86 . 1 . 1 29 29 PRO C C 13 177.711 0.0 . . . . . . . 199 PRO C . 50557 1
87 . 1 . 1 30 30 GLY H H 1 8.49 0.003 . . . . . . . 200 GLY H . 50557 1
88 . 1 . 1 30 30 GLY C C 13 174.5 0.008 . . . . . . . 200 GLY C . 50557 1
89 . 1 . 1 30 30 GLY CA C 13 44.971 0.0 . . . . . . . 200 GLY CA . 50557 1
90 . 1 . 1 30 30 GLY N N 15 110.567 0.005 . . . . . . . 200 GLY N . 50557 1
91 . 1 . 1 31 31 SER H H 1 8.097 0.002 . . . . . . . 201 SER H . 50557 1
92 . 1 . 1 31 31 SER C C 13 174.947 0.008 . . . . . . . 201 SER C . 50557 1
93 . 1 . 1 31 31 SER CA C 13 58.48 0.028 . . . . . . . 201 SER CA . 50557 1
94 . 1 . 1 31 31 SER N N 15 116.217 0.003 . . . . . . . 201 SER N . 50557 1
95 . 1 . 1 32 32 SER H H 1 8.364 0.001 . . . . . . . 202 SER H . 50557 1
96 . 1 . 1 32 32 SER C C 13 174.759 0.006 . . . . . . . 202 SER C . 50557 1
97 . 1 . 1 32 32 SER N N 15 118.776 0.014 . . . . . . . 202 SER N . 50557 1
98 . 1 . 1 33 33 ARG H H 1 8.309 0.001 . . . . . . . 203 ARG H . 50557 1
99 . 1 . 1 33 33 ARG C C 13 176.895 0.006 . . . . . . . 203 ARG C . 50557 1
100 . 1 . 1 33 33 ARG CA C 13 56.448 0.030 . . . . . . . 203 ARG CA . 50557 1
101 . 1 . 1 33 33 ARG N N 15 123.604 0.005 . . . . . . . 203 ARG N . 50557 1
102 . 1 . 1 34 34 GLY H H 1 8.351 0.009 . . . . . . . 204 GLY H . 50557 1
103 . 1 . 1 34 34 GLY C C 13 174.3 0.009 . . . . . . . 204 GLY C . 50557 1
104 . 1 . 1 34 34 GLY N N 15 110.612 0.038 . . . . . . . 204 GLY N . 50557 1
105 . 1 . 1 35 35 THR H H 1 8.001 0.002 . . . . . . . 205 THR H . 50557 1
106 . 1 . 1 35 35 THR C C 13 174.551 0.007 . . . . . . . 205 THR C . 50557 1
107 . 1 . 1 35 35 THR CA C 13 61.639 0.0 . . . . . . . 205 THR CA . 50557 1
108 . 1 . 1 35 35 THR N N 15 114.093 0.002 . . . . . . . 205 THR N . 50557 1
109 . 1 . 1 36 36 SER H H 1 8.322 0.001 . . . . . . . 206 SER H . 50557 1
110 . 1 . 1 36 36 SER CA C 13 56.605 0.0 . . . . . . . 206 SER CA . 50557 1
111 . 1 . 1 36 36 SER N N 15 120.37 0.004 . . . . . . . 206 SER N . 50557 1
112 . 1 . 1 37 37 PRO C C 13 176.885 0.0 . . . . . . . 207 PRO C . 50557 1
113 . 1 . 1 38 38 ALA H H 1 8.24 0.001 . . . . . . . 208 ALA H . 50557 1
114 . 1 . 1 38 38 ALA C C 13 178.0 0.007 . . . . . . . 208 ALA C . 50557 1
115 . 1 . 1 38 38 ALA CA C 13 52.891 0.074 . . . . . . . 208 ALA CA . 50557 1
116 . 1 . 1 38 38 ALA N N 15 124.37 0.005 . . . . . . . 208 ALA N . 50557 1
117 . 1 . 1 39 39 ARG H H 1 8.14 0.001 . . . . . . . 209 ARG H . 50557 1
118 . 1 . 1 39 39 ARG C C 13 176.507 0.005 . . . . . . . 209 ARG C . 50557 1
119 . 1 . 1 39 39 ARG CA C 13 56.235 0.001 . . . . . . . 209 ARG CA . 50557 1
120 . 1 . 1 39 39 ARG N N 15 120.386 0.004 . . . . . . . 209 ARG N . 50557 1
121 . 1 . 1 40 40 MET H H 1 8.259 0.002 . . . . . . . 210 MET H . 50557 1
122 . 1 . 1 40 40 MET C C 13 175.941 0.015 . . . . . . . 210 MET C . 50557 1
123 . 1 . 1 40 40 MET CA C 13 55.583 0.0 . . . . . . . 210 MET CA . 50557 1
124 . 1 . 1 40 40 MET N N 15 122.021 0.003 . . . . . . . 210 MET N . 50557 1
125 . 1 . 1 41 41 ALA H H 1 8.231 0.003 . . . . . . . 211 ALA H . 50557 1
126 . 1 . 1 41 41 ALA C C 13 178.184 0.027 . . . . . . . 211 ALA C . 50557 1
127 . 1 . 1 41 41 ALA CA C 13 52.78 0.0 . . . . . . . 211 ALA CA . 50557 1
128 . 1 . 1 41 41 ALA N N 15 125.634 0.008 . . . . . . . 211 ALA N . 50557 1
129 . 1 . 1 42 42 GLY H H 1 8.32 0.002 . . . . . . . 212 GLY H . 50557 1
130 . 1 . 1 42 42 GLY C C 13 174.194 0.009 . . . . . . . 212 GLY C . 50557 1
131 . 1 . 1 42 42 GLY CA C 13 44.989 0.0 . . . . . . . 212 GLY CA . 50557 1
132 . 1 . 1 42 42 GLY N N 15 108.885 0.006 . . . . . . . 212 GLY N . 50557 1
133 . 1 . 1 43 43 ASN H H 1 8.316 0.001 . . . . . . . 213 ASN H . 50557 1
134 . 1 . 1 43 43 ASN C C 13 175.977 0.014 . . . . . . . 213 ASN C . 50557 1
135 . 1 . 1 43 43 ASN CA C 13 53.273 0.0 . . . . . . . 213 ASN CA . 50557 1
136 . 1 . 1 43 43 ASN N N 15 119.399 0.001 . . . . . . . 213 ASN N . 50557 1
137 . 1 . 1 44 44 GLY H H 1 8.487 0.004 . . . . . . . 214 GLY H . 50557 1
138 . 1 . 1 44 44 GLY C C 13 175.029 0.014 . . . . . . . 214 GLY C . 50557 1
139 . 1 . 1 44 44 GLY CA C 13 45.172 0.0 . . . . . . . 214 GLY CA . 50557 1
140 . 1 . 1 44 44 GLY N N 15 110.134 0.013 . . . . . . . 214 GLY N . 50557 1
141 . 1 . 1 45 45 GLY H H 1 8.29 0.003 . . . . . . . 215 GLY H . 50557 1
142 . 1 . 1 45 45 GLY C C 13 174.51 0.001 . . . . . . . 215 GLY C . 50557 1
143 . 1 . 1 45 45 GLY CA C 13 45.082 0.0 . . . . . . . 215 GLY CA . 50557 1
144 . 1 . 1 45 45 GLY N N 15 109.828 0.021 . . . . . . . 215 GLY N . 50557 1
145 . 1 . 1 46 46 ASP H H 1 8.299 0.0 . . . . . . . 216 ASP H . 50557 1
146 . 1 . 1 46 46 ASP CA C 13 55.612 0.0 . . . . . . . 216 ASP CA . 50557 1
147 . 1 . 1 46 46 ASP N N 15 121.907 0.0 . . . . . . . 216 ASP N . 50557 1
148 . 1 . 1 47 47 ALA H H 1 8.178 0.0 . . . . . . . 217 ALA H . 50557 1
149 . 1 . 1 47 47 ALA CA C 13 53.926 0.0 . . . . . . . 217 ALA CA . 50557 1
150 . 1 . 1 47 47 ALA N N 15 124.003 0.0 . . . . . . . 217 ALA N . 50557 1
151 . 1 . 1 48 48 ALA H H 1 8.051 0.0 . . . . . . . 218 ALA H . 50557 1
152 . 1 . 1 48 48 ALA CA C 13 53.39 0.0 . . . . . . . 218 ALA CA . 50557 1
153 . 1 . 1 48 48 ALA N N 15 122.182 0.0 . . . . . . . 218 ALA N . 50557 1
154 . 1 . 1 49 49 LEU H H 1 8.017 0.0 . . . . . . . 219 LEU H . 50557 1
155 . 1 . 1 49 49 LEU CA C 13 55.652 0.0 . . . . . . . 219 LEU CA . 50557 1
156 . 1 . 1 49 49 LEU N N 15 120.061 0.0 . . . . . . . 219 LEU N . 50557 1
157 . 1 . 1 50 50 ALA H H 1 8.116 0.0 . . . . . . . 220 ALA H . 50557 1
158 . 1 . 1 50 50 ALA CA C 13 54.205 0.0 . . . . . . . 220 ALA CA . 50557 1
159 . 1 . 1 50 50 ALA N N 15 121.079 0.0 . . . . . . . 220 ALA N . 50557 1
160 . 1 . 1 51 51 LEU H H 1 8.262 0.0 . . . . . . . 221 LEU H . 50557 1
161 . 1 . 1 51 51 LEU CA C 13 56.395 0.0 . . . . . . . 221 LEU CA . 50557 1
162 . 1 . 1 51 51 LEU N N 15 124.154 0.0 . . . . . . . 221 LEU N . 50557 1
163 . 1 . 1 52 52 LEU H H 1 8.297 0.0 . . . . . . . 222 LEU H . 50557 1
164 . 1 . 1 52 52 LEU CA C 13 57.809 0.0 . . . . . . . 222 LEU CA . 50557 1
165 . 1 . 1 52 52 LEU N N 15 120.625 0.0 . . . . . . . 222 LEU N . 50557 1
166 . 1 . 1 53 53 LEU H H 1 8.016 0.0 . . . . . . . 223 LEU H . 50557 1
167 . 1 . 1 53 53 LEU CA C 13 57.281 0.0 . . . . . . . 223 LEU CA . 50557 1
168 . 1 . 1 53 53 LEU N N 15 121.426 0.0 . . . . . . . 223 LEU N . 50557 1
169 . 1 . 1 54 54 LEU H H 1 8.335 0.0 . . . . . . . 224 LEU H . 50557 1
170 . 1 . 1 54 54 LEU CA C 13 58.22 0.0 . . . . . . . 224 LEU CA . 50557 1
171 . 1 . 1 54 54 LEU N N 15 124.914 0.0 . . . . . . . 224 LEU N . 50557 1
172 . 1 . 1 61 61 GLU H H 1 8.016 0.0 . . . . . . . 231 GLU H . 50557 1
173 . 1 . 1 61 61 GLU CA C 13 57.26 0.0 . . . . . . . 231 GLU CA . 50557 1
174 . 1 . 1 61 61 GLU N N 15 121.426 0.0 . . . . . . . 231 GLU N . 50557 1
175 . 1 . 1 62 62 SER H H 1 8.078 0.0 . . . . . . . 232 SER H . 50557 1
176 . 1 . 1 62 62 SER CA C 13 58.58 0.0 . . . . . . . 232 SER CA . 50557 1
177 . 1 . 1 62 62 SER N N 15 114.665 0.0 . . . . . . . 232 SER N . 50557 1
178 . 1 . 1 63 63 LYS H H 1 8.038 0.0 . . . . . . . 233 LYS H . 50557 1
179 . 1 . 1 63 63 LYS CA C 13 57.09 0.0 . . . . . . . 233 LYS CA . 50557 1
180 . 1 . 1 63 63 LYS N N 15 119.965 0.0 . . . . . . . 233 LYS N . 50557 1
181 . 1 . 1 64 64 MET H H 1 8.37 0.0 . . . . . . . 234 MET H . 50557 1
182 . 1 . 1 64 64 MET CA C 13 56.06 0.0 . . . . . . . 234 MET CA . 50557 1
183 . 1 . 1 64 64 MET N N 15 125.275 0.0 . . . . . . . 234 MET N . 50557 1
184 . 1 . 1 65 65 SER H H 1 8.25 0.0 . . . . . . . 235 SER H . 50557 1
185 . 1 . 1 65 65 SER C C 13 175.278 0.0 . . . . . . . 235 SER C . 50557 1
186 . 1 . 1 65 65 SER CA C 13 58.5 0.0 . . . . . . . 235 SER CA . 50557 1
187 . 1 . 1 65 65 SER N N 15 118.48 0.0 . . . . . . . 235 SER N . 50557 1
188 . 1 . 1 66 66 GLY H H 1 8.2 0.0 . . . . . . . 236 GLY H . 50557 1
189 . 1 . 1 66 66 GLY C C 13 174.5 0.0 . . . . . . . 236 GLY C . 50557 1
190 . 1 . 1 66 66 GLY CA C 13 45.038 0.0 . . . . . . . 236 GLY CA . 50557 1
191 . 1 . 1 66 66 GLY N N 15 111.314 0.0 . . . . . . . 236 GLY N . 50557 1
192 . 1 . 1 67 67 LYS H H 1 8.102 0.002 . . . . . . . 237 LYS H . 50557 1
193 . 1 . 1 67 67 LYS C C 13 177.415 0.011 . . . . . . . 237 LYS C . 50557 1
194 . 1 . 1 67 67 LYS CA C 13 56.634 0.0 . . . . . . . 237 LYS CA . 50557 1
195 . 1 . 1 67 67 LYS N N 15 121.466 0.002 . . . . . . . 237 LYS N . 50557 1
196 . 1 . 1 68 68 GLY H H 1 8.435 0.002 . . . . . . . 238 GLY H . 50557 1
197 . 1 . 1 68 68 GLY C C 13 174.409 0.011 . . . . . . . 238 GLY C . 50557 1
198 . 1 . 1 68 68 GLY N N 15 110.667 0.012 . . . . . . . 238 GLY N . 50557 1
199 . 1 . 1 69 69 GLN H H 1 8.187 0.001 . . . . . . . 239 GLN H . 50557 1
200 . 1 . 1 69 69 GLN C C 13 176.297 0.001 . . . . . . . 239 GLN C . 50557 1
201 . 1 . 1 69 69 GLN CA C 13 56.032 0.0 . . . . . . . 239 GLN CA . 50557 1
202 . 1 . 1 69 69 GLN N N 15 120.545 0.001 . . . . . . . 239 GLN N . 50557 1
203 . 1 . 1 70 70 GLN H H 1 8.417 0.002 . . . . . . . 240 GLN H . 50557 1
204 . 1 . 1 70 70 GLN C C 13 176.199 0.036 . . . . . . . 240 GLN C . 50557 1
205 . 1 . 1 70 70 GLN CA C 13 56.126 0.0 . . . . . . . 240 GLN CA . 50557 1
206 . 1 . 1 70 70 GLN N N 15 122.129 0.053 . . . . . . . 240 GLN N . 50557 1
207 . 1 . 1 71 71 GLN H H 1 8.402 0.0 . . . . . . . 241 GLN H . 50557 1
208 . 1 . 1 71 71 GLN C C 13 176.09 0.005 . . . . . . . 241 GLN C . 50557 1
209 . 1 . 1 71 71 GLN CA C 13 55.955 0.0 . . . . . . . 241 GLN CA . 50557 1
210 . 1 . 1 71 71 GLN N N 15 122.292 0.022 . . . . . . . 241 GLN N . 50557 1
211 . 1 . 1 72 72 GLN H H 1 8.44 0.001 . . . . . . . 242 GLN H . 50557 1
212 . 1 . 1 72 72 GLN C C 13 176.599 0.012 . . . . . . . 242 GLN C . 50557 1
213 . 1 . 1 72 72 GLN CA C 13 56.199 0.0 . . . . . . . 242 GLN CA . 50557 1
214 . 1 . 1 72 72 GLN N N 15 122.608 0.003 . . . . . . . 242 GLN N . 50557 1
215 . 1 . 1 73 73 GLY H H 1 8.44 0.002 . . . . . . . 243 GLY H . 50557 1
216 . 1 . 1 73 73 GLY C C 13 174.148 0.008 . . . . . . . 243 GLY C . 50557 1
217 . 1 . 1 73 73 GLY CA C 13 44.995 0.0 . . . . . . . 243 GLY CA . 50557 1
218 . 1 . 1 73 73 GLY N N 15 111.096 0.002 . . . . . . . 243 GLY N . 50557 1
219 . 1 . 1 74 74 GLN H H 1 8.229 0.001 . . . . . . . 244 GLN H . 50557 1
220 . 1 . 1 74 74 GLN C C 13 176.307 0.008 . . . . . . . 244 GLN C . 50557 1
221 . 1 . 1 74 74 GLN CA C 13 55.882 0.0 . . . . . . . 244 GLN CA . 50557 1
222 . 1 . 1 74 74 GLN N N 15 120.648 0.001 . . . . . . . 244 GLN N . 50557 1
223 . 1 . 1 75 75 THR H H 1 8.245 0.001 . . . . . . . 245 THR H . 50557 1
224 . 1 . 1 75 75 THR C C 13 174.564 0.008 . . . . . . . 245 THR C . 50557 1
225 . 1 . 1 75 75 THR CA C 13 62.171 0.0 . . . . . . . 245 THR CA . 50557 1
226 . 1 . 1 75 75 THR N N 15 117.25 0.002 . . . . . . . 245 THR N . 50557 1
227 . 1 . 1 76 76 VAL H H 1 8.216 0.001 . . . . . . . 246 VAL H . 50557 1
228 . 1 . 1 76 76 VAL C C 13 176.283 0.007 . . . . . . . 246 VAL C . 50557 1
229 . 1 . 1 76 76 VAL CA C 13 62.34 0.020 . . . . . . . 246 VAL CA . 50557 1
230 . 1 . 1 76 76 VAL N N 15 124.123 0.002 . . . . . . . 246 VAL N . 50557 1
231 . 1 . 1 77 77 THR H H 1 8.235 0.001 . . . . . . . 247 THR H . 50557 1
232 . 1 . 1 77 77 THR C C 13 174.464 0.005 . . . . . . . 247 THR C . 50557 1
233 . 1 . 1 77 77 THR CA C 13 61.911 0.0 . . . . . . . 247 THR CA . 50557 1
234 . 1 . 1 77 77 THR N N 15 119.872 0.008 . . . . . . . 247 THR N . 50557 1
235 . 1 . 1 78 78 LYS H H 1 8.324 0.002 . . . . . . . 248 LYS H . 50557 1
236 . 1 . 1 78 78 LYS C C 13 176.657 0.007 . . . . . . . 248 LYS C . 50557 1
237 . 1 . 1 78 78 LYS CA C 13 56.503 0.0 . . . . . . . 248 LYS CA . 50557 1
238 . 1 . 1 78 78 LYS N N 15 125.426 0.0 . . . . . . . 248 LYS N . 50557 1
239 . 1 . 1 79 79 LYS H H 1 8.349 0.001 . . . . . . . 249 LYS H . 50557 1
240 . 1 . 1 79 79 LYS C C 13 176.863 0.009 . . . . . . . 249 LYS C . 50557 1
241 . 1 . 1 79 79 LYS N N 15 124.186 0.008 . . . . . . . 249 LYS N . 50557 1
242 . 1 . 1 80 80 SER H H 1 8.335 0.001 . . . . . . . 250 SER H . 50557 1
243 . 1 . 1 80 80 SER C C 13 174.695 0.008 . . . . . . . 250 SER C . 50557 1
244 . 1 . 1 80 80 SER CA C 13 58.433 0.0 . . . . . . . 250 SER CA . 50557 1
245 . 1 . 1 80 80 SER N N 15 118.329 0.016 . . . . . . . 250 SER N . 50557 1
246 . 1 . 1 81 81 ALA H H 1 8.357 0.0 . . . . . . . 251 ALA H . 50557 1
247 . 1 . 1 81 81 ALA C C 13 178.076 0.0 . . . . . . . 251 ALA C . 50557 1
248 . 1 . 1 81 81 ALA CA C 13 53.021 0.0 . . . . . . . 251 ALA CA . 50557 1
249 . 1 . 1 81 81 ALA N N 15 127.14 0.0 . . . . . . . 251 ALA N . 50557 1
250 . 1 . 1 82 82 ALA H H 1 8.159 0.001 . . . . . . . 252 ALA H . 50557 1
251 . 1 . 1 82 82 ALA C C 13 178.435 0.006 . . . . . . . 252 ALA C . 50557 1
252 . 1 . 1 82 82 ALA CA C 13 53.04 0.0 . . . . . . . 252 ALA CA . 50557 1
253 . 1 . 1 82 82 ALA N N 15 123.52 0.006 . . . . . . . 252 ALA N . 50557 1
254 . 1 . 1 83 83 GLU H H 1 8.161 0.002 . . . . . . . 253 GLU H . 50557 1
255 . 1 . 1 83 83 GLU C C 13 176.865 0.008 . . . . . . . 253 GLU C . 50557 1
256 . 1 . 1 83 83 GLU CA C 13 56.925 0.0 . . . . . . . 253 GLU CA . 50557 1
257 . 1 . 1 83 83 GLU N N 15 120.533 0.002 . . . . . . . 253 GLU N . 50557 1
258 . 1 . 1 84 84 ALA H H 1 8.18 0.001 . . . . . . . 254 ALA H . 50557 1
259 . 1 . 1 84 84 ALA C C 13 178.089 0.006 . . . . . . . 254 ALA C . 50557 1
260 . 1 . 1 84 84 ALA CA C 13 52.989 0.0 . . . . . . . 254 ALA CA . 50557 1
261 . 1 . 1 84 84 ALA N N 15 125.265 0.001 . . . . . . . 254 ALA N . 50557 1
262 . 1 . 1 85 85 SER H H 1 8.086 0.001 . . . . . . . 255 SER H . 50557 1
263 . 1 . 1 85 85 SER C C 13 174.644 0.005 . . . . . . . 255 SER C . 50557 1
264 . 1 . 1 85 85 SER CA C 13 58.63 0.0 . . . . . . . 255 SER CA . 50557 1
265 . 1 . 1 85 85 SER N N 15 115.201 0.0 . . . . . . . 255 SER N . 50557 1
266 . 1 . 1 86 86 LYS H H 1 8.102 0.001 . . . . . . . 256 LYS H . 50557 1
267 . 1 . 1 86 86 LYS C C 13 176.352 0.014 . . . . . . . 256 LYS C . 50557 1
268 . 1 . 1 86 86 LYS CA C 13 56.242 0.0 . . . . . . . 256 LYS CA . 50557 1
269 . 1 . 1 86 86 LYS N N 15 123.808 0.002 . . . . . . . 256 LYS N . 50557 1
270 . 1 . 1 87 87 LYS H H 1 8.525 0.002 . . . . . . . 257 LYS H . 50557 1
271 . 1 . 1 87 87 LYS CA C 13 56.356 0.0 . . . . . . . 257 LYS CA . 50557 1
272 . 1 . 1 87 87 LYS N N 15 124.129 0.001 . . . . . . . 257 LYS N . 50557 1
273 . 1 . 1 88 88 PRO C C 13 177.002 0.0 . . . . . . . 258 PRO C . 50557 1
274 . 1 . 1 89 89 ARG H H 1 8.41 0.001 . . . . . . . 259 ARG H . 50557 1
275 . 1 . 1 89 89 ARG C C 13 176.471 0.009 . . . . . . . 259 ARG C . 50557 1
276 . 1 . 1 89 89 ARG CA C 13 56.169 0.087 . . . . . . . 259 ARG CA . 50557 1
277 . 1 . 1 89 89 ARG N N 15 122.445 0.003 . . . . . . . 259 ARG N . 50557 1
278 . 1 . 1 90 90 GLN H H 1 8.356 0.001 . . . . . . . 260 GLN H . 50557 1
279 . 1 . 1 90 90 GLN C C 13 175.791 0.003 . . . . . . . 260 GLN C . 50557 1
280 . 1 . 1 90 90 GLN CA C 13 55.799 0.0 . . . . . . . 260 GLN CA . 50557 1
281 . 1 . 1 90 90 GLN N N 15 122.729 0.002 . . . . . . . 260 GLN N . 50557 1
282 . 1 . 1 91 91 LYS H H 1 8.36 0.001 . . . . . . . 261 LYS H . 50557 1
283 . 1 . 1 91 91 LYS C C 13 176.39 0.008 . . . . . . . 261 LYS C . 50557 1
284 . 1 . 1 91 91 LYS CA C 13 56.48 0.0 . . . . . . . 261 LYS CA . 50557 1
285 . 1 . 1 91 91 LYS N N 15 124.487 0.001 . . . . . . . 261 LYS N . 50557 1
286 . 1 . 1 92 92 ARG H H 1 8.435 0.002 . . . . . . . 262 ARG H . 50557 1
287 . 1 . 1 92 92 ARG C C 13 175.786 0.005 . . . . . . . 262 ARG C . 50557 1
288 . 1 . 1 92 92 ARG CA C 13 56.308 0.0 . . . . . . . 262 ARG CA . 50557 1
289 . 1 . 1 92 92 ARG N N 15 124.494 0.01 . . . . . . . 262 ARG N . 50557 1
290 . 1 . 1 93 93 THR H H 1 7.768 0.0 . . . . . . . 263 THR H . 50557 1
291 . 1 . 1 93 93 THR CA C 13 63.172 0.0 . . . . . . . 263 THR CA . 50557 1
292 . 1 . 1 93 93 THR N N 15 121.37 0.0 . . . . . . . 263 THR N . 50557 1
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