###################################
# 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 52458
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'FOXO4-LRI bound to p53TAD2'
_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 '2D 1H-15N HSQC' . . . 52458 1
3 '3D CBCA(CO)NH' . . . 52458 1
4 '3D HNCACB' . . . 52458 1
5 '3D (H)CCH-TOCSY' . . . 52458 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 . . 52458 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 1 1 LEU HG H 1 1.533 0.000 . . . . . . . 101 L HG . 52458 1
2 . 1 . 1 1 1 LEU HD11 H 1 0.775 0.000 . . . . . . . 101 L QD1 . 52458 1
3 . 1 . 1 1 1 LEU HD12 H 1 0.775 0.000 . . . . . . . 101 L QD1 . 52458 1
4 . 1 . 1 1 1 LEU HD13 H 1 0.775 0.000 . . . . . . . 101 L QD1 . 52458 1
5 . 1 . 1 1 1 LEU HD21 H 1 0.826 0.000 . . . . . . . 101 L QD2 . 52458 1
6 . 1 . 1 1 1 LEU HD22 H 1 0.826 0.000 . . . . . . . 101 L QD2 . 52458 1
7 . 1 . 1 1 1 LEU HD23 H 1 0.826 0.000 . . . . . . . 101 L QD2 . 52458 1
8 . 1 . 1 1 1 LEU CA C 13 55.312 0.000 . . . . . . . 101 L CA . 52458 1
9 . 1 . 1 1 1 LEU CB C 13 42.463 0.000 . . . . . . . 101 L CB . 52458 1
10 . 1 . 1 1 1 LEU CG C 13 26.878 0.000 . . . . . . . 101 L CG . 52458 1
11 . 1 . 1 1 1 LEU CD1 C 13 23.467 0.000 . . . . . . . 101 L CD1 . 52458 1
12 . 1 . 1 1 1 LEU N N 15 121.672 0.003 . . . . . . . 101 L N . 52458 1
13 . 1 . 1 2 2 THR H H 1 8.125 0.000 . . . . . . . 102 T HN . 52458 1
14 . 1 . 1 2 2 THR HA H 1 4.214 0.000 . . . . . . . 102 T HA . 52458 1
15 . 1 . 1 2 2 THR HB H 1 4.070 0.000 . . . . . . . 102 T HB . 52458 1
16 . 1 . 1 2 2 THR HG21 H 1 1.096 0.005 . . . . . . . 102 T QG2 . 52458 1
17 . 1 . 1 2 2 THR HG22 H 1 1.096 0.005 . . . . . . . 102 T QG2 . 52458 1
18 . 1 . 1 2 2 THR HG23 H 1 1.096 0.005 . . . . . . . 102 T QG2 . 52458 1
19 . 1 . 1 2 2 THR CA C 13 61.748 0.190 . . . . . . . 102 T CA . 52458 1
20 . 1 . 1 2 2 THR CB C 13 69.700 0.053 . . . . . . . 102 T CB . 52458 1
21 . 1 . 1 2 2 THR CG2 C 13 21.735 0.080 . . . . . . . 102 T CG2 . 52458 1
22 . 1 . 1 2 2 THR N N 15 115.699 0.000 . . . . . . . 102 T N . 52458 1
23 . 1 . 1 3 3 LEU H H 1 8.163 0.004 . . . . . . . 103 L HN . 52458 1
24 . 1 . 1 3 3 LEU HG H 1 1.533 0.000 . . . . . . . 103 L HG . 52458 1
25 . 1 . 1 3 3 LEU HD11 H 1 0.772 0.004 . . . . . . . 103 L QD1 . 52458 1
26 . 1 . 1 3 3 LEU HD12 H 1 0.772 0.004 . . . . . . . 103 L QD1 . 52458 1
27 . 1 . 1 3 3 LEU HD13 H 1 0.772 0.004 . . . . . . . 103 L QD1 . 52458 1
28 . 1 . 1 3 3 LEU HD21 H 1 0.826 0.000 . . . . . . . 103 L QD2 . 52458 1
29 . 1 . 1 3 3 LEU HD22 H 1 0.826 0.000 . . . . . . . 103 L QD2 . 52458 1
30 . 1 . 1 3 3 LEU HD23 H 1 0.826 0.000 . . . . . . . 103 L QD2 . 52458 1
31 . 1 . 1 3 3 LEU CA C 13 55.003 0.031 . . . . . . . 103 L CA . 52458 1
32 . 1 . 1 3 3 LEU CB C 13 42.406 0.041 . . . . . . . 103 L CB . 52458 1
33 . 1 . 1 3 3 LEU N N 15 125.182 0.067 . . . . . . . 103 L N . 52458 1
34 . 1 . 1 4 4 ARG H H 1 8.215 0.003 . . . . . . . 104 R HN . 52458 1
35 . 1 . 1 4 4 ARG CA C 13 55.999 0.004 . . . . . . . 104 R CA . 52458 1
36 . 1 . 1 4 4 ARG CB C 13 30.903 0.004 . . . . . . . 104 R CB . 52458 1
37 . 1 . 1 4 4 ARG N N 15 122.302 0.067 . . . . . . . 104 R N . 52458 1
38 . 1 . 1 5 5 LYS CA C 13 55.936 0.044 . . . . . . . 105 K CA . 52458 1
39 . 1 . 1 5 5 LYS CB C 13 33.188 0.131 . . . . . . . 105 K CB . 52458 1
40 . 1 . 1 6 6 GLU H H 1 8.396 0.006 . . . . . . . 106 E HN . 52458 1
41 . 1 . 1 6 6 GLU HA H 1 4.481 0.000 . . . . . . . 106 E HA . 52458 1
42 . 1 . 1 6 6 GLU HG2 H 1 2.195 0.004 . . . . . . . 106 E HG2 . 52458 1
43 . 1 . 1 6 6 GLU CA C 13 54.322 0.045 . . . . . . . 106 E CA . 52458 1
44 . 1 . 1 6 6 GLU CB C 13 29.532 0.022 . . . . . . . 106 E CB . 52458 1
45 . 1 . 1 6 6 GLU CG C 13 35.840 0.000 . . . . . . . 106 E CG . 52458 1
46 . 1 . 1 6 6 GLU N N 15 123.965 0.044 . . . . . . . 106 E N . 52458 1
47 . 1 . 1 7 7 PRO HA H 1 4.308 0.000 . . . . . . . 107 P HA . 52458 1
48 . 1 . 1 7 7 PRO HB2 H 1 1.832 0.000 . . . . . . . 107 P HB2 . 52458 1
49 . 1 . 1 7 7 PRO HB3 H 1 2.191 0.000 . . . . . . . 107 P HB3 . 52458 1
50 . 1 . 1 7 7 PRO HG2 H 1 1.918 0.000 . . . . . . . 107 P HG2 . 52458 1
51 . 1 . 1 7 7 PRO HD2 H 1 3.615 0.000 . . . . . . . 107 P HD2 . 52458 1
52 . 1 . 1 7 7 PRO HD3 H 1 3.702 0.000 . . . . . . . 107 P HD3 . 52458 1
53 . 1 . 1 7 7 PRO CA C 13 63.162 0.055 . . . . . . . 107 P CA . 52458 1
54 . 1 . 1 7 7 PRO CB C 13 32.013 0.004 . . . . . . . 107 P CB . 52458 1
55 . 1 . 1 7 7 PRO CG C 13 27.271 0.000 . . . . . . . 107 P CG . 52458 1
56 . 1 . 1 7 7 PRO CD C 13 50.644 0.000 . . . . . . . 107 P CD . 52458 1
57 . 1 . 1 8 8 ALA H H 1 8.377 0.008 . . . . . . . 108 A HN . 52458 1
58 . 1 . 1 8 8 ALA HA H 1 4.211 0.007 . . . . . . . 108 A HA . 52458 1
59 . 1 . 1 8 8 ALA HB1 H 1 1.316 0.004 . . . . . . . 108 A HB# . 52458 1
60 . 1 . 1 8 8 ALA HB2 H 1 1.316 0.004 . . . . . . . 108 A HB# . 52458 1
61 . 1 . 1 8 8 ALA HB3 H 1 1.316 0.004 . . . . . . . 108 A HB# . 52458 1
62 . 1 . 1 8 8 ALA CA C 13 52.672 0.034 . . . . . . . 108 A CA . 52458 1
63 . 1 . 1 8 8 ALA CB C 13 19.125 0.048 . . . . . . . 108 A CB . 52458 1
64 . 1 . 1 8 8 ALA N N 15 123.958 0.040 . . . . . . . 108 A N . 52458 1
65 . 1 . 1 9 9 SER H H 1 8.174 0.001 . . . . . . . 109 S HN . 52458 1
66 . 1 . 1 9 9 SER HA H 1 4.305 0.000 . . . . . . . 109 S HA . 52458 1
67 . 1 . 1 9 9 SER HB2 H 1 3.794 0.016 . . . . . . . 109 S HB2 . 52458 1
68 . 1 . 1 9 9 SER CA C 13 58.511 0.092 . . . . . . . 109 S CA . 52458 1
69 . 1 . 1 9 9 SER CB C 13 63.717 0.033 . . . . . . . 109 S CB . 52458 1
70 . 1 . 1 9 9 SER N N 15 114.782 0.003 . . . . . . . 109 S N . 52458 1
71 . 1 . 1 10 10 GLU H H 1 8.344 0.006 . . . . . . . 110 E HN . 52458 1
72 . 1 . 1 10 10 GLU HA H 1 4.203 0.000 . . . . . . . 110 E HA . 52458 1
73 . 1 . 1 10 10 GLU HB2 H 1 1.975 0.000 . . . . . . . 110 E HB2 . 52458 1
74 . 1 . 1 10 10 GLU HG2 H 1 2.195 0.004 . . . . . . . 110 E HG2 . 52458 1
75 . 1 . 1 10 10 GLU HG3 H 1 2.134 0.000 . . . . . . . 110 E HG3 . 52458 1
76 . 1 . 1 10 10 GLU CA C 13 56.857 0.101 . . . . . . . 110 E CA . 52458 1
77 . 1 . 1 10 10 GLU CB C 13 30.220 0.079 . . . . . . . 110 E CB . 52458 1
78 . 1 . 1 10 10 GLU CG C 13 36.045 0.000 . . . . . . . 110 E CG . 52458 1
79 . 1 . 1 10 10 GLU N N 15 122.684 0.039 . . . . . . . 110 E N . 52458 1
80 . 1 . 1 11 11 ILE H H 1 7.968 0.010 . . . . . . . 111 I HN . 52458 1
81 . 1 . 1 11 11 ILE HA H 1 3.987 0.021 . . . . . . . 111 I HA . 52458 1
82 . 1 . 1 11 11 ILE HB H 1 1.753 0.011 . . . . . . . 111 I HB . 52458 1
83 . 1 . 1 11 11 ILE HG12 H 1 1.392 0.007 . . . . . . . 111 I HG12 . 52458 1
84 . 1 . 1 11 11 ILE HG13 H 1 1.072 0.021 . . . . . . . 111 I HG13 . 52458 1
85 . 1 . 1 11 11 ILE HG21 H 1 0.785 0.016 . . . . . . . 111 I QG2 . 52458 1
86 . 1 . 1 11 11 ILE HG22 H 1 0.785 0.016 . . . . . . . 111 I QG2 . 52458 1
87 . 1 . 1 11 11 ILE HG23 H 1 0.785 0.016 . . . . . . . 111 I QG2 . 52458 1
88 . 1 . 1 11 11 ILE HD11 H 1 0.751 0.014 . . . . . . . 111 I QD1 . 52458 1
89 . 1 . 1 11 11 ILE HD12 H 1 0.751 0.014 . . . . . . . 111 I QD1 . 52458 1
90 . 1 . 1 11 11 ILE HD13 H 1 0.751 0.014 . . . . . . . 111 I QD1 . 52458 1
91 . 1 . 1 11 11 ILE CA C 13 61.428 0.093 . . . . . . . 111 I CA . 52458 1
92 . 1 . 1 11 11 ILE CB C 13 38.523 0.042 . . . . . . . 111 I CB . 52458 1
93 . 1 . 1 11 11 ILE CG1 C 13 27.443 0.101 . . . . . . . 111 I CG1 . 52458 1
94 . 1 . 1 11 11 ILE CG2 C 13 17.433 0.094 . . . . . . . 111 I CG2 . 52458 1
95 . 1 . 1 11 11 ILE CD1 C 13 12.667 0.138 . . . . . . . 111 I CD1 . 52458 1
96 . 1 . 1 11 11 ILE N N 15 121.506 0.036 . . . . . . . 111 I N . 52458 1
97 . 1 . 1 12 12 ALA H H 1 8.171 0.014 . . . . . . . 112 A HN . 52458 1
98 . 1 . 1 12 12 ALA HA H 1 4.167 0.026 . . . . . . . 112 A HA . 52458 1
99 . 1 . 1 12 12 ALA HB1 H 1 1.317 0.004 . . . . . . . 112 A HB# . 52458 1
100 . 1 . 1 12 12 ALA HB2 H 1 1.317 0.004 . . . . . . . 112 A HB# . 52458 1
101 . 1 . 1 12 12 ALA HB3 H 1 1.317 0.004 . . . . . . . 112 A HB# . 52458 1
102 . 1 . 1 12 12 ALA CA C 13 52.970 0.143 . . . . . . . 112 A CA . 52458 1
103 . 1 . 1 12 12 ALA CB C 13 18.916 0.080 . . . . . . . 112 A CB . 52458 1
104 . 1 . 1 12 12 ALA N N 15 127.243 0.181 . . . . . . . 112 A N . 52458 1
105 . 1 . 1 13 13 GLN H H 1 8.230 0.008 . . . . . . . 113 Q HN . 52458 1
106 . 1 . 1 13 13 GLN HA H 1 4.138 0.000 . . . . . . . 113 Q HA . 52458 1
107 . 1 . 1 13 13 GLN HB2 H 1 2.001 0.000 . . . . . . . 113 Q HB2 . 52458 1
108 . 1 . 1 13 13 GLN HB3 H 1 1.940 0.000 . . . . . . . 113 Q HB3 . 52458 1
109 . 1 . 1 13 13 GLN HG2 H 1 2.279 0.018 . . . . . . . 113 Q HG2 . 52458 1
110 . 1 . 1 13 13 GLN CA C 13 56.640 0.088 . . . . . . . 113 Q CA . 52458 1
111 . 1 . 1 13 13 GLN CB C 13 29.232 0.053 . . . . . . . 113 Q CB . 52458 1
112 . 1 . 1 13 13 GLN CG C 13 33.756 0.035 . . . . . . . 113 Q CG . 52458 1
113 . 1 . 1 13 13 GLN N N 15 119.395 0.081 . . . . . . . 113 Q N . 52458 1
114 . 1 . 1 14 14 SER H H 1 8.194 0.009 . . . . . . . 114 S HN . 52458 1
115 . 1 . 1 14 14 SER HA H 1 4.302 0.000 . . . . . . . 114 S HA . 52458 1
116 . 1 . 1 14 14 SER HB2 H 1 3.801 0.012 . . . . . . . 114 S HB2 . 52458 1
117 . 1 . 1 14 14 SER CA C 13 59.113 0.089 . . . . . . . 114 S CA . 52458 1
118 . 1 . 1 14 14 SER CB C 13 63.402 0.057 . . . . . . . 114 S CB . 52458 1
119 . 1 . 1 14 14 SER N N 15 116.070 0.001 . . . . . . . 114 S N . 52458 1
120 . 1 . 1 15 15 ILE H H 1 7.918 0.009 . . . . . . . 115 I HN . 52458 1
121 . 1 . 1 15 15 ILE HA H 1 3.980 0.033 . . . . . . . 115 I HA . 52458 1
122 . 1 . 1 15 15 ILE HB H 1 1.821 0.012 . . . . . . . 115 I HB . 52458 1
123 . 1 . 1 15 15 ILE HG12 H 1 1.070 0.021 . . . . . . . 115 I HG12 . 52458 1
124 . 1 . 1 15 15 ILE HG13 H 1 1.393 0.007 . . . . . . . 115 I HG13 . 52458 1
125 . 1 . 1 15 15 ILE HG21 H 1 0.782 0.014 . . . . . . . 115 I QG2 . 52458 1
126 . 1 . 1 15 15 ILE HG22 H 1 0.782 0.014 . . . . . . . 115 I QG2 . 52458 1
127 . 1 . 1 15 15 ILE HG23 H 1 0.782 0.014 . . . . . . . 115 I QG2 . 52458 1
128 . 1 . 1 15 15 ILE HD11 H 1 0.750 0.014 . . . . . . . 115 I QD1 . 52458 1
129 . 1 . 1 15 15 ILE HD12 H 1 0.750 0.014 . . . . . . . 115 I QD1 . 52458 1
130 . 1 . 1 15 15 ILE HD13 H 1 0.750 0.014 . . . . . . . 115 I QD1 . 52458 1
131 . 1 . 1 15 15 ILE CA C 13 61.978 0.228 . . . . . . . 115 I CA . 52458 1
132 . 1 . 1 15 15 ILE CB C 13 38.431 0.106 . . . . . . . 115 I CB . 52458 1
133 . 1 . 1 15 15 ILE CG1 C 13 27.501 0.071 . . . . . . . 115 I CG1 . 52458 1
134 . 1 . 1 15 15 ILE CG2 C 13 17.395 0.103 . . . . . . . 115 I CG2 . 52458 1
135 . 1 . 1 15 15 ILE CD1 C 13 12.683 0.159 . . . . . . . 115 I CD1 . 52458 1
136 . 1 . 1 15 15 ILE N N 15 122.509 0.038 . . . . . . . 115 I N . 52458 1
137 . 1 . 1 16 16 LEU H H 1 7.907 0.009 . . . . . . . 116 L HN . 52458 1
138 . 1 . 1 16 16 LEU HA H 1 4.153 0.000 . . . . . . . 116 L HA . 52458 1
139 . 1 . 1 16 16 LEU HB2 H 1 1.515 0.040 . . . . . . . 116 L HB2 . 52458 1
140 . 1 . 1 16 16 LEU HG H 1 1.534 0.001 . . . . . . . 116 L HG . 52458 1
141 . 1 . 1 16 16 LEU HD11 H 1 0.758 0.020 . . . . . . . 116 L QD1 . 52458 1
142 . 1 . 1 16 16 LEU HD12 H 1 0.758 0.020 . . . . . . . 116 L QD1 . 52458 1
143 . 1 . 1 16 16 LEU HD13 H 1 0.758 0.020 . . . . . . . 116 L QD1 . 52458 1
144 . 1 . 1 16 16 LEU HD21 H 1 0.800 0.015 . . . . . . . 116 L QD2 . 52458 1
145 . 1 . 1 16 16 LEU HD22 H 1 0.800 0.015 . . . . . . . 116 L QD2 . 52458 1
146 . 1 . 1 16 16 LEU HD23 H 1 0.800 0.015 . . . . . . . 116 L QD2 . 52458 1
147 . 1 . 1 16 16 LEU CA C 13 56.028 0.175 . . . . . . . 116 L CA . 52458 1
148 . 1 . 1 16 16 LEU CB C 13 42.113 0.131 . . . . . . . 116 L CB . 52458 1
149 . 1 . 1 16 16 LEU CD1 C 13 23.456 0.019 . . . . . . . 116 L CD1 . 52458 1
150 . 1 . 1 16 16 LEU CD2 C 13 24.660 0.130 . . . . . . . 116 L CD2 . 52458 1
151 . 1 . 1 16 16 LEU N N 15 123.482 0.330 . . . . . . . 116 L N . 52458 1
152 . 1 . 1 17 17 GLU H H 1 8.136 0.002 . . . . . . . 117 E HN . 52458 1
153 . 1 . 1 17 17 GLU HA H 1 4.076 0.010 . . . . . . . 117 E HA . 52458 1
154 . 1 . 1 17 17 GLU HB2 H 1 1.831 0.001 . . . . . . . 117 E HB2 . 52458 1
155 . 1 . 1 17 17 GLU HG2 H 1 2.130 0.010 . . . . . . . 117 E HG2 . 52458 1
156 . 1 . 1 17 17 GLU HG3 H 1 2.197 0.004 . . . . . . . 117 E HG3 . 52458 1
157 . 1 . 1 17 17 GLU CA C 13 57.140 0.145 . . . . . . . 117 E CA . 52458 1
158 . 1 . 1 17 17 GLU CB C 13 30.053 0.072 . . . . . . . 117 E CB . 52458 1
159 . 1 . 1 17 17 GLU CG C 13 36.316 0.003 . . . . . . . 117 E CG . 52458 1
160 . 1 . 1 17 17 GLU N N 15 120.576 0.133 . . . . . . . 117 E N . 52458 1
161 . 1 . 1 18 18 ALA H H 1 7.920 0.022 . . . . . . . 118 A HN . 52458 1
162 . 1 . 1 18 18 ALA HA H 1 4.089 0.024 . . . . . . . 118 A HA . 52458 1
163 . 1 . 1 18 18 ALA HB1 H 1 1.210 0.013 . . . . . . . 118 A HB# . 52458 1
164 . 1 . 1 18 18 ALA HB2 H 1 1.210 0.013 . . . . . . . 118 A HB# . 52458 1
165 . 1 . 1 18 18 ALA HB3 H 1 1.210 0.013 . . . . . . . 118 A HB# . 52458 1
166 . 1 . 1 18 18 ALA CA C 13 53.052 0.176 . . . . . . . 118 A CA . 52458 1
167 . 1 . 1 18 18 ALA CB C 13 18.877 0.054 . . . . . . . 118 A CB . 52458 1
168 . 1 . 1 18 18 ALA N N 15 123.341 0.182 . . . . . . . 118 A N . 52458 1
169 . 1 . 1 19 19 TYR H H 1 7.918 0.006 . . . . . . . 119 Y HN . 52458 1
170 . 1 . 1 19 19 TYR HA H 1 4.393 0.023 . . . . . . . 119 Y HA . 52458 1
171 . 1 . 1 19 19 TYR HB2 H 1 2.968 0.017 . . . . . . . 119 Y HB2 . 52458 1
172 . 1 . 1 19 19 TYR HB3 H 1 2.872 0.018 . . . . . . . 119 Y HB3 . 52458 1
173 . 1 . 1 19 19 TYR HD1 H 1 6.981 0.010 . . . . . . . 119 Y QD . 52458 1
174 . 1 . 1 19 19 TYR HD2 H 1 6.981 0.010 . . . . . . . 119 Y QD . 52458 1
175 . 1 . 1 19 19 TYR HE1 H 1 6.680 0.014 . . . . . . . 119 Y QE . 52458 1
176 . 1 . 1 19 19 TYR HE2 H 1 6.680 0.014 . . . . . . . 119 Y QE . 52458 1
177 . 1 . 1 19 19 TYR CA C 13 57.955 0.116 . . . . . . . 119 Y CA . 52458 1
178 . 1 . 1 19 19 TYR CB C 13 38.474 0.082 . . . . . . . 119 Y CB . 52458 1
179 . 1 . 1 19 19 TYR CD1 C 13 133.086 0.000 . . . . . . . 119 Y CD1 . 52458 1
180 . 1 . 1 19 19 TYR CE1 C 13 118.138 0.000 . . . . . . . 119 Y CE1 . 52458 1
181 . 1 . 1 19 19 TYR N N 15 118.153 0.123 . . . . . . . 119 Y N . 52458 1
182 . 1 . 1 20 20 SER HA H 1 4.273 0.000 . . . . . . . 120 S HA . 52458 1
183 . 1 . 1 20 20 SER HB2 H 1 3.712 0.000 . . . . . . . 120 S HB2 . 52458 1
184 . 1 . 1 20 20 SER CA C 13 58.581 0.000 . . . . . . . 120 S CA . 52458 1
185 . 1 . 1 20 20 SER CB C 13 63.801 0.000 . . . . . . . 120 S CB . 52458 1
186 . 1 . 1 21 21 GLN H H 1 8.388 0.000 . . . . . . . 121 Q HN . 52458 1
187 . 1 . 1 21 21 GLN HB2 H 1 2.011 0.000 . . . . . . . 121 Q HB2 . 52458 1
188 . 1 . 1 21 21 GLN HB3 H 1 1.877 0.003 . . . . . . . 121 Q HB3 . 52458 1
189 . 1 . 1 21 21 GLN HG2 H 1 2.274 0.021 . . . . . . . 121 Q HG2 . 52458 1
190 . 1 . 1 21 21 GLN CA C 13 55.817 0.088 . . . . . . . 121 Q CA . 52458 1
191 . 1 . 1 21 21 GLN CB C 13 29.582 0.026 . . . . . . . 121 Q CB . 52458 1
192 . 1 . 1 21 21 GLN CG C 13 33.779 0.000 . . . . . . . 121 Q CG . 52458 1
193 . 1 . 1 21 21 GLN N N 15 123.660 0.000 . . . . . . . 121 Q N . 52458 1
194 . 1 . 1 22 22 ASN H H 1 7.927 0.012 . . . . . . . 122 N HN . 52458 1
195 . 1 . 1 22 22 ASN HA H 1 4.364 0.001 . . . . . . . 122 N HA . 52458 1
196 . 1 . 1 22 22 ASN HB2 H 1 2.613 0.020 . . . . . . . 122 N HB2 . 52458 1
197 . 1 . 1 22 22 ASN HB3 H 1 2.507 0.002 . . . . . . . 122 N HB3 . 52458 1
198 . 1 . 1 22 22 ASN CA C 13 54.894 0.044 . . . . . . . 122 N CA . 52458 1
199 . 1 . 1 22 22 ASN CB C 13 40.847 0.031 . . . . . . . 122 N CB . 52458 1
200 . 1 . 1 22 22 ASN N N 15 125.195 0.051 . . . . . . . 122 N N . 52458 1
201 . 1 . 1 23 23 GLY H H 1 8.172 0.008 . . . . . . . 123 G HN . 52458 1
202 . 1 . 1 23 23 GLY HA2 H 1 3.801 0.013 . . . . . . . 123 G HA1 . 52458 1
203 . 1 . 1 23 23 GLY CA C 13 45.796 0.038 . . . . . . . 123 G CA . 52458 1
204 . 1 . 1 23 23 GLY N N 15 114.053 0.026 . . . . . . . 123 G N . 52458 1
205 . 1 . 1 24 24 TRP H H 1 7.908 0.001 . . . . . . . 124 W HN . 52458 1
206 . 1 . 1 24 24 TRP HA H 1 4.453 0.010 . . . . . . . 124 W HA . 52458 1
207 . 1 . 1 24 24 TRP HB2 H 1 3.161 0.014 . . . . . . . 124 W HB2 . 52458 1
208 . 1 . 1 24 24 TRP HB3 H 1 3.202 0.018 . . . . . . . 124 W HB3 . 52458 1
209 . 1 . 1 24 24 TRP HD1 H 1 7.131 0.009 . . . . . . . 124 W HD1 . 52458 1
210 . 1 . 1 24 24 TRP HE1 H 1 10.046 0.001 . . . . . . . 124 W HE1 . 52458 1
211 . 1 . 1 24 24 TRP HE3 H 1 7.430 0.013 . . . . . . . 124 W HE3 . 52458 1
212 . 1 . 1 24 24 TRP HZ2 H 1 7.365 0.019 . . . . . . . 124 W HZ2 . 52458 1
213 . 1 . 1 24 24 TRP HZ3 H 1 6.994 0.004 . . . . . . . 124 W HZ3 . 52458 1
214 . 1 . 1 24 24 TRP HH2 H 1 7.087 0.002 . . . . . . . 124 W HH2 . 52458 1
215 . 1 . 1 24 24 TRP CA C 13 57.836 0.060 . . . . . . . 124 W CA . 52458 1
216 . 1 . 1 24 24 TRP CB C 13 29.352 0.048 . . . . . . . 124 W CB . 52458 1
217 . 1 . 1 24 24 TRP CD1 C 13 126.733 0.000 . . . . . . . 124 W CD1 . 52458 1
218 . 1 . 1 24 24 TRP CE3 C 13 89.646 31.020 . . . . . . . 124 W CE3 . 52458 1
219 . 1 . 1 24 24 TRP CZ2 C 13 83.568 31.033 . . . . . . . 124 W CZ2 . 52458 1
220 . 1 . 1 24 24 TRP CZ3 C 13 59.887 0.000 . . . . . . . 124 W CZ3 . 52458 1
221 . 1 . 1 24 24 TRP CH2 C 13 62.527 0.000 . . . . . . . 124 W CH2 . 52458 1
222 . 1 . 1 24 24 TRP N N 15 120.709 0.014 . . . . . . . 124 W N . 52458 1
223 . 1 . 1 25 25 ALA H H 1 7.995 0.003 . . . . . . . 125 A HN . 52458 1
224 . 1 . 1 25 25 ALA HA H 1 4.040 0.012 . . . . . . . 125 A HA . 52458 1
225 . 1 . 1 25 25 ALA CA C 13 53.131 0.033 . . . . . . . 125 A CA . 52458 1
226 . 1 . 1 25 25 ALA CB C 13 18.836 0.076 . . . . . . . 125 A CB . 52458 1
227 . 1 . 1 25 25 ALA N N 15 123.549 0.070 . . . . . . . 125 A N . 52458 1
228 . 1 . 1 26 26 ASN H H 1 8.002 0.003 . . . . . . . 126 N HN . 52458 1
229 . 1 . 1 26 26 ASN HA H 1 4.537 0.007 . . . . . . . 126 N HA . 52458 1
230 . 1 . 1 26 26 ASN HB2 H 1 2.603 0.013 . . . . . . . 126 N HB2 . 52458 1
231 . 1 . 1 26 26 ASN HB3 H 1 2.734 0.000 . . . . . . . 126 N HB3 . 52458 1
232 . 1 . 1 26 26 ASN CA C 13 53.508 0.032 . . . . . . . 126 N CA . 52458 1
233 . 1 . 1 26 26 ASN CB C 13 38.603 0.024 . . . . . . . 126 N CB . 52458 1
234 . 1 . 1 26 26 ASN N N 15 116.220 0.001 . . . . . . . 126 N N . 52458 1
235 . 1 . 1 29 29 SER H H 1 8.173 0.000 . . . . . . . 129 S HN . 52458 1
236 . 1 . 1 29 29 SER HA H 1 4.353 0.005 . . . . . . . 129 S HA . 52458 1
237 . 1 . 1 29 29 SER CA C 13 58.427 0.008 . . . . . . . 129 S CA . 52458 1
238 . 1 . 1 29 29 SER N N 15 116.535 0.000 . . . . . . . 129 S N . 52458 1
239 . 1 . 1 30 30 GLY HA2 H 1 3.903 0.001 . . . . . . . 130 G HA1 . 52458 1
240 . 1 . 1 30 30 GLY CA C 13 45.312 0.007 . . . . . . . 130 G CA . 52458 1
241 . 1 . 1 30 30 GLY N N 15 110.997 0.019 . . . . . . . 130 G N . 52458 1
242 . 1 . 1 31 31 GLY HA2 H 1 3.865 0.003 . . . . . . . 131 G HA1 . 52458 1
243 . 1 . 1 31 31 GLY CA C 13 45.074 0.000 . . . . . . . 131 G CA . 52458 1
244 . 1 . 1 31 31 GLY N N 15 108.533 0.019 . . . . . . . 131 G N . 52458 1
245 . 1 . 1 32 32 LYS HA H 1 4.222 0.003 . . . . . . . 132 K HA . 52458 1
246 . 1 . 1 32 32 LYS HB2 H 1 1.706 0.000 . . . . . . . 132 K HB2 . 52458 1
247 . 1 . 1 32 32 LYS HG2 H 1 1.325 0.000 . . . . . . . 132 K HG2 . 52458 1
248 . 1 . 1 32 32 LYS HD2 H 1 1.582 0.002 . . . . . . . 132 K HD2 . 52458 1
249 . 1 . 1 32 32 LYS HE2 H 1 2.890 0.004 . . . . . . . 132 K HE2 . 52458 1
250 . 1 . 1 32 32 LYS CA C 13 56.136 0.048 . . . . . . . 132 K CA . 52458 1
251 . 1 . 1 32 32 LYS CD C 13 29.045 0.000 . . . . . . . 132 K CD . 52458 1
252 . 1 . 1 32 32 LYS CE C 13 41.994 0.000 . . . . . . . 132 K CE . 52458 1
253 . 1 . 1 32 32 LYS N N 15 120.809 0.017 . . . . . . . 132 K N . 52458 1
254 . 1 . 1 33 33 ARG HA H 1 4.580 0.000 . . . . . . . 133 R HA . 52458 1
255 . 1 . 1 33 33 ARG HB2 H 1 1.672 0.000 . . . . . . . 133 R HB2 . 52458 1
256 . 1 . 1 33 33 ARG HB3 H 1 1.739 0.000 . . . . . . . 133 R HB3 . 52458 1
257 . 1 . 1 33 33 ARG HD2 H 1 2.947 0.000 . . . . . . . 133 R HD2 . 52458 1
258 . 1 . 1 33 33 ARG CA C 13 61.304 0.000 . . . . . . . 133 R CA . 52458 1
259 . 1 . 1 33 33 ARG CB C 13 30.772 0.019 . . . . . . . 133 R CB . 52458 1
260 . 1 . 1 34 34 PRO HA H 1 4.580 0.000 . . . . . . . 134 P HA . 52458 1
261 . 1 . 1 34 34 PRO HB2 H 1 2.227 0.000 . . . . . . . 134 P HB2 . 52458 1
262 . 1 . 1 34 34 PRO HB3 H 1 1.779 0.000 . . . . . . . 134 P HB3 . 52458 1
263 . 1 . 1 34 34 PRO HG2 H 1 1.918 0.000 . . . . . . . 134 P HG2 . 52458 1
264 . 1 . 1 34 34 PRO CA C 13 61.304 0.000 . . . . . . . 134 P CA . 52458 1
265 . 1 . 1 34 34 PRO CB C 13 30.627 0.005 . . . . . . . 134 P CB . 52458 1
266 . 1 . 1 35 35 PRO HA H 1 4.580 0.000 . . . . . . . 135 P HA . 52458 1
267 . 1 . 1 35 35 PRO HB2 H 1 2.227 0.000 . . . . . . . 135 P HB2 . 52458 1
268 . 1 . 1 35 35 PRO HB3 H 1 1.779 0.000 . . . . . . . 135 P HB3 . 52458 1
269 . 1 . 1 35 35 PRO HG2 H 1 1.918 0.000 . . . . . . . 135 P HG2 . 52458 1
270 . 1 . 1 35 35 PRO CB C 13 30.633 0.000 . . . . . . . 135 P CB . 52458 1
271 . 1 . 1 36 36 PRO HA H 1 4.580 0.000 . . . . . . . 136 P HA . 52458 1
272 . 1 . 1 36 36 PRO HB2 H 1 2.227 0.000 . . . . . . . 136 P HB2 . 52458 1
273 . 1 . 1 36 36 PRO HB3 H 1 1.779 0.000 . . . . . . . 136 P HB3 . 52458 1
274 . 1 . 1 36 36 PRO HG2 H 1 1.918 0.000 . . . . . . . 136 P HG2 . 52458 1
275 . 1 . 1 36 36 PRO CA C 13 62.842 0.016 . . . . . . . 136 P CA . 52458 1
276 . 1 . 1 36 36 PRO CB C 13 31.960 0.000 . . . . . . . 136 P CB . 52458 1
277 . 1 . 1 37 37 ARG H H 1 8.323 0.000 . . . . . . . 137 R HN . 52458 1
278 . 1 . 1 37 37 ARG HB2 H 1 1.672 0.000 . . . . . . . 137 R HB2 . 52458 1
279 . 1 . 1 37 37 ARG HB3 H 1 1.739 0.000 . . . . . . . 137 R HB3 . 52458 1
280 . 1 . 1 37 37 ARG HG2 H 1 1.519 0.027 . . . . . . . 137 R HG2 . 52458 1
281 . 1 . 1 37 37 ARG HD2 H 1 3.065 0.018 . . . . . . . 137 R HD2 . 52458 1
282 . 1 . 1 37 37 ARG HD3 H 1 2.947 0.000 . . . . . . . 137 R HD3 . 52458 1
283 . 1 . 1 37 37 ARG CA C 13 56.087 0.000 . . . . . . . 137 R CA . 52458 1
284 . 1 . 1 37 37 ARG CB C 13 31.031 0.000 . . . . . . . 137 R CB . 52458 1
285 . 1 . 1 37 37 ARG CG C 13 27.073 0.000 . . . . . . . 137 R CG . 52458 1
286 . 1 . 1 37 37 ARG N N 15 121.238 0.005 . . . . . . . 137 R N . 52458 1
287 . 1 . 1 38 38 ARG HB2 H 1 1.672 0.000 . . . . . . . 138 R HB2 . 52458 1
288 . 1 . 1 38 38 ARG HB3 H 1 1.739 0.000 . . . . . . . 138 R HB3 . 52458 1
289 . 1 . 1 38 38 ARG HG2 H 1 1.519 0.027 . . . . . . . 138 R HG2 . 52458 1
290 . 1 . 1 38 38 ARG HD2 H 1 3.065 0.018 . . . . . . . 138 R HD2 . 52458 1
291 . 1 . 1 38 38 ARG HD3 H 1 2.947 0.000 . . . . . . . 138 R HD3 . 52458 1
292 . 1 . 1 39 39 ARG HB2 H 1 1.672 0.000 . . . . . . . 139 R HB2 . 52458 1
293 . 1 . 1 39 39 ARG HB3 H 1 1.739 0.000 . . . . . . . 139 R HB3 . 52458 1
294 . 1 . 1 39 39 ARG HG2 H 1 1.519 0.027 . . . . . . . 139 R HG2 . 52458 1
295 . 1 . 1 39 39 ARG HD2 H 1 3.065 0.018 . . . . . . . 139 R HD2 . 52458 1
296 . 1 . 1 39 39 ARG HD3 H 1 2.947 0.000 . . . . . . . 139 R HD3 . 52458 1
297 . 1 . 1 40 40 GLN HG2 H 1 2.263 0.012 . . . . . . . 140 Q HG2 . 52458 1
298 . 1 . 1 41 41 ARG HB2 H 1 1.672 0.000 . . . . . . . 141 R HB2 . 52458 1
299 . 1 . 1 41 41 ARG HB3 H 1 1.739 0.000 . . . . . . . 141 R HB3 . 52458 1
300 . 1 . 1 41 41 ARG HD2 H 1 3.065 0.018 . . . . . . . 141 R HD2 . 52458 1
301 . 1 . 1 41 41 ARG HD3 H 1 2.948 0.001 . . . . . . . 141 R HD3 . 52458 1
302 . 1 . 1 41 41 ARG CD C 13 43.194 0.019 . . . . . . . 141 R CD . 52458 1
303 . 1 . 1 42 42 ARG HB2 H 1 1.672 0.000 . . . . . . . 142 R HB2 . 52458 1
304 . 1 . 1 42 42 ARG HD2 H 1 3.065 0.018 . . . . . . . 142 R HD2 . 52458 1
305 . 1 . 1 42 42 ARG HD3 H 1 2.947 0.000 . . . . . . . 142 R HD3 . 52458 1
306 . 1 . 1 43 43 LYS HB2 H 1 1.706 0.000 . . . . . . . 143 K HB2 . 52458 1
307 . 1 . 1 43 43 LYS HG2 H 1 1.325 0.000 . . . . . . . 143 K HG2 . 52458 1
308 . 1 . 1 43 43 LYS HD2 H 1 1.582 0.002 . . . . . . . 143 K HD2 . 52458 1
309 . 1 . 1 43 43 LYS HE2 H 1 2.890 0.004 . . . . . . . 143 K HE2 . 52458 1
310 . 1 . 1 43 43 LYS CB C 13 33.087 0.000 . . . . . . . 143 K CB . 52458 1
311 . 1 . 1 43 43 LYS CG C 13 24.711 0.000 . . . . . . . 143 K CG . 52458 1
312 . 1 . 1 43 43 LYS CE C 13 41.994 0.000 . . . . . . . 143 K CE . 52458 1
313 . 1 . 1 44 44 LYS HB2 H 1 1.706 0.000 . . . . . . . 144 K HB2 . 52458 1
314 . 1 . 1 44 44 LYS HG2 H 1 1.324 0.002 . . . . . . . 144 K HG2 . 52458 1
315 . 1 . 1 44 44 LYS HD2 H 1 1.582 0.002 . . . . . . . 144 K HD2 . 52458 1
316 . 1 . 1 44 44 LYS HE2 H 1 2.890 0.004 . . . . . . . 144 K HE2 . 52458 1
317 . 1 . 1 44 44 LYS CE C 13 41.994 0.000 . . . . . . . 144 K CE . 52458 1
318 . 1 . 1 45 45 ARG HA H 1 4.232 0.000 . . . . . . . 145 R HA . 52458 1
319 . 1 . 1 45 45 ARG HB2 H 1 1.672 0.000 . . . . . . . 145 R HB2 . 52458 1
320 . 1 . 1 45 45 ARG CA C 13 56.084 0.090 . . . . . . . 145 R CA . 52458 1
321 . 1 . 1 45 45 ARG CB C 13 31.039 0.000 . . . . . . . 145 R CB . 52458 1
322 . 1 . 1 46 46 GLY H H 1 7.958 0.006 . . . . . . . 146 G HN . 52458 1
323 . 1 . 1 46 46 GLY CA C 13 46.185 0.000 . . . . . . . 146 G CA . 52458 1
324 . 1 . 1 46 46 GLY N N 15 116.588 0.044 . . . . . . . 146 G N . 52458 1
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