###################################
# 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 25719
_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 0.001
_Assigned_chem_shift_list.Chem_shift_13C_err 0.01
_Assigned_chem_shift_list.Chem_shift_15N_err 0.03
_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' 1 $sample_1 isotropic 25719 1
2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25719 1
3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 25719 1
8 '3D (HCA)CO(CA)NH' 1 $sample_1 isotropic 25719 1
12 '3D HNCO' 1 $sample_1 isotropic 25719 1
17 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 25719 1
18 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25719 1
19 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25719 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 $Olivia . . 25719 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 1 1 SER HA H 1 4.389 0.001 . . . . . A 299 SER HA . 25719 1
2 . 1 1 1 1 SER HB2 H 1 3.902 0.001 . . . . . A 299 SER HB2 . 25719 1
3 . 1 1 1 1 SER HB3 H 1 3.902 0.001 . . . . . A 299 SER HB3 . 25719 1
4 . 1 1 1 1 SER H H 1 8.503 0.001 . . . . . A 299 SER H1 . 25719 1
5 . 1 1 1 1 SER CA C 13 58.588 0.01 . . . . . A 299 SER CA . 25719 1
6 . 1 1 1 1 SER CB C 13 63.851 0.01 . . . . . A 299 SER CB . 25719 1
7 . 1 1 1 1 SER N N 15 117.382 0.03 . . . . . A 299 SER N . 25719 1
8 . 1 1 2 2 GLU H H 1 8.518 0.001 . . . . . A 300 GLU H . 25719 1
9 . 1 1 2 2 GLU HA H 1 4.218 0.001 . . . . . A 300 GLU HA . 25719 1
10 . 1 1 2 2 GLU HB2 H 1 1.972 0.001 . . . . . A 300 GLU HB2 . 25719 1
11 . 1 1 2 2 GLU HB3 H 1 1.886 0.001 . . . . . A 300 GLU HB3 . 25719 1
12 . 1 1 2 2 GLU HG2 H 1 2.199 0.001 . . . . . A 300 GLU HG2 . 25719 1
13 . 1 1 2 2 GLU HG3 H 1 2.157 0.001 . . . . . A 300 GLU HG3 . 25719 1
14 . 1 1 2 2 GLU CA C 13 56.679 0.01 . . . . . A 300 GLU CA . 25719 1
15 . 1 1 2 2 GLU CB C 13 30.147 0.01 . . . . . A 300 GLU CB . 25719 1
16 . 1 1 2 2 GLU CG C 13 36.201 0.01 . . . . . A 300 GLU CG . 25719 1
17 . 1 1 2 2 GLU N N 15 122.933 0.03 . . . . . A 300 GLU N . 25719 1
18 . 1 1 3 3 HIS H H 1 8.291 0.001 . . . . . A 301 HIS H . 25719 1
19 . 1 1 3 3 HIS HA H 1 4.573 0.001 . . . . . A 301 HIS HA . 25719 1
20 . 1 1 3 3 HIS HB2 H 1 3.084 0.001 . . . . . A 301 HIS HB2 . 25719 1
21 . 1 1 3 3 HIS HB3 H 1 2.989 0.001 . . . . . A 301 HIS HB3 . 25719 1
22 . 1 1 3 3 HIS HD2 H 1 7.120 0.001 . . . . . A 301 HIS HD2 . 25719 1
23 . 1 1 3 3 HIS HE1 H 1 7.960 0.001 . . . . . A 301 HIS HE1 . 25719 1
24 . 1 1 3 3 HIS CA C 13 56.343 0.01 . . . . . A 301 HIS CA . 25719 1
25 . 1 1 3 3 HIS CB C 13 30.299 0.01 . . . . . A 301 HIS CB . 25719 1
26 . 1 1 3 3 HIS CD2 C 13 119.960 0.01 . . . . . A 301 HIS CD2 . 25719 1
27 . 1 1 3 3 HIS CE1 C 13 138.070 0.01 . . . . . A 301 HIS CE1 . 25719 1
28 . 1 1 3 3 HIS N N 15 120.364 0.03 . . . . . A 301 HIS N . 25719 1
29 . 1 1 4 4 ARG H H 1 8.187 0.001 . . . . . A 302 ARG H . 25719 1
30 . 1 1 4 4 ARG HA H 1 4.229 0.001 . . . . . A 302 ARG HA . 25719 1
31 . 1 1 4 4 ARG HB2 H 1 1.799 0.001 . . . . . A 302 ARG HB2 . 25719 1
32 . 1 1 4 4 ARG HB3 H 1 1.713 0.001 . . . . . A 302 ARG HB3 . 25719 1
33 . 1 1 4 4 ARG HG2 H 1 1.516 0.001 . . . . . A 302 ARG HG2 . 25719 1
34 . 1 1 4 4 ARG HG3 H 1 1.516 0.001 . . . . . A 302 ARG HG3 . 25719 1
35 . 1 1 4 4 ARG HD2 H 1 3.092 0.001 . . . . . A 302 ARG HD2 . 25719 1
36 . 1 1 4 4 ARG HD3 H 1 3.092 0.001 . . . . . A 302 ARG HD3 . 25719 1
37 . 1 1 4 4 ARG CA C 13 56.291 0.01 . . . . . A 302 ARG CA . 25719 1
38 . 1 1 4 4 ARG CB C 13 30.558 0.01 . . . . . A 302 ARG CB . 25719 1
39 . 1 1 4 4 ARG CG C 13 27.079 0.01 . . . . . A 302 ARG CG . 25719 1
40 . 1 1 4 4 ARG CD C 13 43.303 0.01 . . . . . A 302 ARG CD . 25719 1
41 . 1 1 4 4 ARG N N 15 121.120 0.03 . . . . . A 302 ARG N . 25719 1
42 . 1 1 5 5 LYS H H 1 8.288 0.001 . . . . . A 303 LYS H . 25719 1
43 . 1 1 5 5 LYS HA H 1 4.299 0.001 . . . . . A 303 LYS HA . 25719 1
44 . 1 1 5 5 LYS HB2 H 1 1.733 0.001 . . . . . A 303 LYS HB2 . 25719 1
45 . 1 1 5 5 LYS HB3 H 1 1.633 0.001 . . . . . A 303 LYS HB3 . 25719 1
46 . 1 1 5 5 LYS HG2 H 1 1.366 0.001 . . . . . A 303 LYS HG2 . 25719 1
47 . 1 1 5 5 LYS HG3 H 1 1.286 0.001 . . . . . A 303 LYS HG3 . 25719 1
48 . 1 1 5 5 LYS HD2 H 1 1.464 0.001 . . . . . A 303 LYS HD2 . 25719 1
49 . 1 1 5 5 LYS HD3 H 1 1.464 0.001 . . . . . A 303 LYS HD3 . 25719 1
50 . 1 1 5 5 LYS HE2 H 1 2.812 0.001 . . . . . A 303 LYS HE2 . 25719 1
51 . 1 1 5 5 LYS HE3 H 1 2.812 0.001 . . . . . A 303 LYS HE3 . 25719 1
52 . 1 1 5 5 LYS CA C 13 55.926 0.01 . . . . . A 303 LYS CA . 25719 1
53 . 1 1 5 5 LYS CB C 13 33.441 0.01 . . . . . A 303 LYS CB . 25719 1
54 . 1 1 5 5 LYS CG C 13 25.092 0.01 . . . . . A 303 LYS CG . 25719 1
55 . 1 1 5 5 LYS CD C 13 29.076 0.01 . . . . . A 303 LYS CD . 25719 1
56 . 1 1 5 5 LYS CE C 13 42.039 0.01 . . . . . A 303 LYS CE . 25719 1
57 . 1 1 5 5 LYS N N 15 121.485 0.03 . . . . . A 303 LYS N . 25719 1
58 . 1 1 6 6 GLN H H 1 8.469 0.001 . . . . . A 304 GLN H . 25719 1
59 . 1 1 6 6 GLN HA H 1 4.658 0.001 . . . . . A 304 GLN HA . 25719 1
60 . 1 1 6 6 GLN HB2 H 1 2.237 0.001 . . . . . A 304 GLN HB2 . 25719 1
61 . 1 1 6 6 GLN HB3 H 1 2.164 0.001 . . . . . A 304 GLN HB3 . 25719 1
62 . 1 1 6 6 GLN HG2 H 1 2.478 0.001 . . . . . A 304 GLN HG2 . 25719 1
63 . 1 1 6 6 GLN HG3 H 1 2.478 0.001 . . . . . A 304 GLN HG3 . 25719 1
64 . 1 1 6 6 GLN HE21 H 1 6.889 0.001 . . . . . A 304 GLN HE21 . 25719 1
65 . 1 1 6 6 GLN HE22 H 1 7.463 0.001 . . . . . A 304 GLN HE22 . 25719 1
66 . 1 1 6 6 GLN CA C 13 53.526 0.01 . . . . . A 304 GLN CA . 25719 1
67 . 1 1 6 6 GLN CB C 13 29.366 0.01 . . . . . A 304 GLN CB . 25719 1
68 . 1 1 6 6 GLN CG C 13 33.466 0.01 . . . . . A 304 GLN CG . 25719 1
69 . 1 1 6 6 GLN N N 15 122.683 0.03 . . . . . A 304 GLN N . 25719 1
70 . 1 1 6 6 GLN NE2 N 15 112.015 0.03 . . . . . A 304 GLN NE2 . 25719 1
71 . 1 1 7 7 PRO HA H 1 4.627 0.001 . . . . . A 305 PRO HA . 25719 1
72 . 1 1 7 7 PRO HB2 H 1 1.806 0.001 . . . . . A 305 PRO HB2 . 25719 1
73 . 1 1 7 7 PRO HB3 H 1 2.232 0.001 . . . . . A 305 PRO HB3 . 25719 1
74 . 1 1 7 7 PRO HG2 H 1 2.050 0.001 . . . . . A 305 PRO HG2 . 25719 1
75 . 1 1 7 7 PRO HG3 H 1 1.993 0.001 . . . . . A 305 PRO HG3 . 25719 1
76 . 1 1 7 7 PRO HD2 H 1 3.917 0.001 . . . . . A 305 PRO HD2 . 25719 1
77 . 1 1 7 7 PRO HD3 H 1 3.682 0.001 . . . . . A 305 PRO HD3 . 25719 1
78 . 1 1 7 7 PRO CA C 13 62.432 0.01 . . . . . A 305 PRO CA . 25719 1
79 . 1 1 7 7 PRO CB C 13 32.132 0.01 . . . . . A 305 PRO CB . 25719 1
80 . 1 1 7 7 PRO CG C 13 27.713 0.01 . . . . . A 305 PRO CG . 25719 1
81 . 1 1 7 7 PRO CD C 13 50.815 0.01 . . . . . A 305 PRO CD . 25719 1
82 . 1 1 8 8 CYS H H 1 8.035 0.001 . . . . . A 306 CYS H . 25719 1
83 . 1 1 8 8 CYS HA H 1 3.865 0.001 . . . . . A 306 CYS HA . 25719 1
84 . 1 1 8 8 CYS HB2 H 1 2.322 0.001 . . . . . A 306 CYS HB2 . 25719 1
85 . 1 1 8 8 CYS HB3 H 1 2.071 0.001 . . . . . A 306 CYS HB3 . 25719 1
86 . 1 1 8 8 CYS CA C 13 57.591 0.01 . . . . . A 306 CYS CA . 25719 1
87 . 1 1 8 8 CYS CB C 13 30.810 0.01 . . . . . A 306 CYS CB . 25719 1
88 . 1 1 8 8 CYS N N 15 125.542 0.03 . . . . . A 306 CYS N . 25719 1
89 . 1 1 9 9 PRO HA H 1 4.167 0.001 . . . . . A 307 PRO HA . 25719 1
90 . 1 1 9 9 PRO HB2 H 1 1.272 0.001 . . . . . A 307 PRO HB2 . 25719 1
91 . 1 1 9 9 PRO HB3 H 1 1.916 0.001 . . . . . A 307 PRO HB3 . 25719 1
92 . 1 1 9 9 PRO HG2 H 1 1.376 0.001 . . . . . A 307 PRO HG2 . 25719 1
93 . 1 1 9 9 PRO HG3 H 1 0.899 0.001 . . . . . A 307 PRO HG3 . 25719 1
94 . 1 1 9 9 PRO HD2 H 1 3.301 0.001 . . . . . A 307 PRO HD2 . 25719 1
95 . 1 1 9 9 PRO HD3 H 1 2.582 0.001 . . . . . A 307 PRO HD3 . 25719 1
96 . 1 1 9 9 PRO CA C 13 63.853 0.01 . . . . . A 307 PRO CA . 25719 1
97 . 1 1 9 9 PRO CB C 13 31.835 0.01 . . . . . A 307 PRO CB . 25719 1
98 . 1 1 9 9 PRO CG C 13 25.852 0.01 . . . . . A 307 PRO CG . 25719 1
99 . 1 1 9 9 PRO CD C 13 50.897 0.01 . . . . . A 307 PRO CD . 25719 1
100 . 1 1 10 10 TYR H H 1 8.455 0.001 . . . . . A 308 TYR H . 25719 1
101 . 1 1 10 10 TYR HA H 1 4.533 0.001 . . . . . A 308 TYR HA . 25719 1
102 . 1 1 10 10 TYR HB2 H 1 3.071 0.001 . . . . . A 308 TYR HB2 . 25719 1
103 . 1 1 10 10 TYR HB3 H 1 2.937 0.001 . . . . . A 308 TYR HB3 . 25719 1
104 . 1 1 10 10 TYR HD1 H 1 7.348 0.001 . . . . . A 308 TYR HD1 . 25719 1
105 . 1 1 10 10 TYR HD2 H 1 7.348 0.001 . . . . . A 308 TYR HD2 . 25719 1
106 . 1 1 10 10 TYR HE1 H 1 6.967 0.001 . . . . . A 308 TYR HE1 . 25719 1
107 . 1 1 10 10 TYR HE2 H 1 6.967 0.001 . . . . . A 308 TYR HE2 . 25719 1
108 . 1 1 10 10 TYR CA C 13 58.044 0.01 . . . . . A 308 TYR CA . 25719 1
109 . 1 1 10 10 TYR CB C 13 37.992 0.01 . . . . . A 308 TYR CB . 25719 1
110 . 1 1 10 10 TYR CD1 C 13 133.472 0.01 . . . . . A 308 TYR CD1 . 25719 1
111 . 1 1 10 10 TYR CD2 C 13 133.472 0.01 . . . . . A 308 TYR CD2 . 25719 1
112 . 1 1 10 10 TYR CE1 C 13 118.490 0.01 . . . . . A 308 TYR CE1 . 25719 1
113 . 1 1 10 10 TYR CE2 C 13 118.490 0.01 . . . . . A 308 TYR CE2 . 25719 1
114 . 1 1 10 10 TYR N N 15 119.626 0.03 . . . . . A 308 TYR N . 25719 1
115 . 1 1 11 11 GLY H H 1 7.605 0.001 . . . . . A 309 GLY H . 25719 1
116 . 1 1 11 11 GLY HA2 H 1 4.001 0.001 . . . . . A 309 GLY HA2 . 25719 1
117 . 1 1 11 11 GLY HA3 H 1 3.904 0.001 . . . . . A 309 GLY HA3 . 25719 1
118 . 1 1 11 11 GLY CA C 13 46.994 0.01 . . . . . A 309 GLY CA . 25719 1
119 . 1 1 11 11 GLY N N 15 108.997 0.03 . . . . . A 309 GLY N . 25719 1
120 . 1 1 12 12 LYS H H 1 9.043 0.001 . . . . . A 310 LYS H . 25719 1
121 . 1 1 12 12 LYS HA H 1 4.263 0.001 . . . . . A 310 LYS HA . 25719 1
122 . 1 1 12 12 LYS HB2 H 1 1.964 0.001 . . . . . A 310 LYS HB2 . 25719 1
123 . 1 1 12 12 LYS HB3 H 1 1.879 0.001 . . . . . A 310 LYS HB3 . 25719 1
124 . 1 1 12 12 LYS HG2 H 1 1.563 0.001 . . . . . A 310 LYS HG2 . 25719 1
125 . 1 1 12 12 LYS HG3 H 1 1.563 0.001 . . . . . A 310 LYS HG3 . 25719 1
126 . 1 1 12 12 LYS HD2 H 1 1.743 0.001 . . . . . A 310 LYS HD2 . 25719 1
127 . 1 1 12 12 LYS HD3 H 1 1.743 0.001 . . . . . A 310 LYS HD3 . 25719 1
128 . 1 1 12 12 LYS HE2 H 1 3.018 0.001 . . . . . A 310 LYS HE2 . 25719 1
129 . 1 1 12 12 LYS HE3 H 1 3.018 0.001 . . . . . A 310 LYS HE3 . 25719 1
130 . 1 1 12 12 LYS CA C 13 58.047 0.01 . . . . . A 310 LYS CA . 25719 1
131 . 1 1 12 12 LYS CB C 13 32.149 0.01 . . . . . A 310 LYS CB . 25719 1
132 . 1 1 12 12 LYS CG C 13 25.178 0.01 . . . . . A 310 LYS CG . 25719 1
133 . 1 1 12 12 LYS CD C 13 29.231 0.01 . . . . . A 310 LYS CD . 25719 1
134 . 1 1 12 12 LYS CE C 13 42.067 0.01 . . . . . A 310 LYS CE . 25719 1
135 . 1 1 12 12 LYS N N 15 125.235 0.03 . . . . . A 310 LYS N . 25719 1
136 . 1 1 13 13 LYS H H 1 7.940 0.001 . . . . . A 311 LYS H . 25719 1
137 . 1 1 13 13 LYS HA H 1 4.368 0.001 . . . . . A 311 LYS HA . 25719 1
138 . 1 1 13 13 LYS HB2 H 1 2.083 0.001 . . . . . A 311 LYS HB2 . 25719 1
139 . 1 1 13 13 LYS HB3 H 1 1.890 0.001 . . . . . A 311 LYS HB3 . 25719 1
140 . 1 1 13 13 LYS HG2 H 1 1.566 0.001 . . . . . A 311 LYS HG2 . 25719 1
141 . 1 1 13 13 LYS HG3 H 1 1.454 0.001 . . . . . A 311 LYS HG3 . 25719 1
142 . 1 1 13 13 LYS HD2 H 1 1.709 0.001 . . . . . A 311 LYS HD2 . 25719 1
143 . 1 1 13 13 LYS HD3 H 1 1.709 0.001 . . . . . A 311 LYS HD3 . 25719 1
144 . 1 1 13 13 LYS HE2 H 1 3.018 0.001 . . . . . A 311 LYS HE2 . 25719 1
145 . 1 1 13 13 LYS HE3 H 1 3.018 0.001 . . . . . A 311 LYS HE3 . 25719 1
146 . 1 1 13 13 LYS CA C 13 55.435 0.01 . . . . . A 311 LYS CA . 25719 1
147 . 1 1 13 13 LYS CB C 13 31.838 0.01 . . . . . A 311 LYS CB . 25719 1
148 . 1 1 13 13 LYS CG C 13 25.495 0.01 . . . . . A 311 LYS CG . 25719 1
149 . 1 1 13 13 LYS CD C 13 28.854 0.01 . . . . . A 311 LYS CD . 25719 1
150 . 1 1 13 13 LYS CE C 13 42.067 0.01 . . . . . A 311 LYS CE . 25719 1
151 . 1 1 13 13 LYS N N 15 116.882 0.03 . . . . . A 311 LYS N . 25719 1
152 . 1 1 14 14 CYS H H 1 7.433 0.001 . . . . . A 312 CYS H . 25719 1
153 . 1 1 14 14 CYS HA H 1 3.888 0.001 . . . . . A 312 CYS HA . 25719 1
154 . 1 1 14 14 CYS HB2 H 1 3.622 0.001 . . . . . A 312 CYS HB2 . 25719 1
155 . 1 1 14 14 CYS HB3 H 1 2.991 0.001 . . . . . A 312 CYS HB3 . 25719 1
156 . 1 1 14 14 CYS CA C 13 61.911 0.01 . . . . . A 312 CYS CA . 25719 1
157 . 1 1 14 14 CYS CB C 13 30.803 0.01 . . . . . A 312 CYS CB . 25719 1
158 . 1 1 14 14 CYS N N 15 123.045 0.03 . . . . . A 312 CYS N . 25719 1
159 . 1 1 15 15 THR H H 1 8.316 0.001 . . . . . A 313 THR H . 25719 1
160 . 1 1 15 15 THR HA H 1 4.405 0.001 . . . . . A 313 THR HA . 25719 1
161 . 1 1 15 15 THR HB H 1 4.315 0.001 . . . . . A 313 THR HB . 25719 1
162 . 1 1 15 15 THR HG21 H 1 1.093 0.001 . . . . . A 313 THR HG21 . 25719 1
163 . 1 1 15 15 THR HG22 H 1 1.093 0.001 . . . . . A 313 THR HG22 . 25719 1
164 . 1 1 15 15 THR HG23 H 1 1.093 0.001 . . . . . A 313 THR HG23 . 25719 1
165 . 1 1 15 15 THR CA C 13 61.848 0.01 . . . . . A 313 THR CA . 25719 1
166 . 1 1 15 15 THR CB C 13 69.207 0.01 . . . . . A 313 THR CB . 25719 1
167 . 1 1 15 15 THR CG2 C 13 21.273 0.01 . . . . . A 313 THR CG2 . 25719 1
168 . 1 1 15 15 THR N N 15 120.194 0.03 . . . . . A 313 THR N . 25719 1
169 . 1 1 16 16 TYR H H 1 8.728 0.001 . . . . . A 314 TYR H . 25719 1
170 . 1 1 16 16 TYR HA H 1 4.400 0.001 . . . . . A 314 TYR HA . 25719 1
171 . 1 1 16 16 TYR HB2 H 1 2.961 0.001 . . . . . A 314 TYR HB2 . 25719 1
172 . 1 1 16 16 TYR HB3 H 1 2.848 0.001 . . . . . A 314 TYR HB3 . 25719 1
173 . 1 1 16 16 TYR HD1 H 1 7.395 0.001 . . . . . A 314 TYR HD1 . 25719 1
174 . 1 1 16 16 TYR HD2 H 1 7.395 0.001 . . . . . A 314 TYR HD2 . 25719 1
175 . 1 1 16 16 TYR HE1 H 1 6.767 0.001 . . . . . A 314 TYR HE1 . 25719 1
176 . 1 1 16 16 TYR HE2 H 1 6.767 0.001 . . . . . A 314 TYR HE2 . 25719 1
177 . 1 1 16 16 TYR CA C 13 59.549 0.01 . . . . . A 314 TYR CA . 25719 1
178 . 1 1 16 16 TYR CB C 13 38.638 0.01 . . . . . A 314 TYR CB . 25719 1
179 . 1 1 16 16 TYR CD1 C 13 133.286 0.01 . . . . . A 314 TYR CD1 . 25719 1
180 . 1 1 16 16 TYR CD2 C 13 133.286 0.01 . . . . . A 314 TYR CD2 . 25719 1
181 . 1 1 16 16 TYR CE1 C 13 118.378 0.01 . . . . . A 314 TYR CE1 . 25719 1
182 . 1 1 16 16 TYR CE2 C 13 118.378 0.01 . . . . . A 314 TYR CE2 . 25719 1
183 . 1 1 16 16 TYR N N 15 122.995 0.03 . . . . . A 314 TYR N . 25719 1
184 . 1 1 17 17 GLY H H 1 8.264 0.001 . . . . . A 315 GLY H . 25719 1
185 . 1 1 17 17 GLY HA2 H 1 3.978 0.001 . . . . . A 315 GLY HA2 . 25719 1
186 . 1 1 17 17 GLY HA3 H 1 3.678 0.001 . . . . . A 315 GLY HA3 . 25719 1
187 . 1 1 17 17 GLY CA C 13 46.248 0.01 . . . . . A 315 GLY CA . 25719 1
188 . 1 1 17 17 GLY N N 15 110.767 0.03 . . . . . A 315 GLY N . 25719 1
189 . 1 1 18 18 ILE H H 1 8.709 0.001 . . . . . A 316 ILE H . 25719 1
190 . 1 1 18 18 ILE HA H 1 4.150 0.001 . . . . . A 316 ILE HA . 25719 1
191 . 1 1 18 18 ILE HB H 1 2.047 0.001 . . . . . A 316 ILE HB . 25719 1
192 . 1 1 18 18 ILE HG12 H 1 1.389 0.001 . . . . . A 316 ILE HG12 . 25719 1
193 . 1 1 18 18 ILE HG13 H 1 1.389 0.001 . . . . . A 316 ILE HG13 . 25719 1
194 . 1 1 18 18 ILE HG21 H 1 1.002 0.001 . . . . . A 316 ILE HG21 . 25719 1
195 . 1 1 18 18 ILE HG22 H 1 1.002 0.001 . . . . . A 316 ILE HG22 . 25719 1
196 . 1 1 18 18 ILE HG23 H 1 1.002 0.001 . . . . . A 316 ILE HG23 . 25719 1
197 . 1 1 18 18 ILE HD11 H 1 0.921 0.001 . . . . . A 316 ILE HD11 . 25719 1
198 . 1 1 18 18 ILE HD12 H 1 0.921 0.001 . . . . . A 316 ILE HD12 . 25719 1
199 . 1 1 18 18 ILE HD13 H 1 0.921 0.001 . . . . . A 316 ILE HD13 . 25719 1
200 . 1 1 18 18 ILE CA C 13 62.797 0.01 . . . . . A 316 ILE CA . 25719 1
201 . 1 1 18 18 ILE CB C 13 38.240 0.01 . . . . . A 316 ILE CB . 25719 1
202 . 1 1 18 18 ILE CG1 C 13 27.398 0.01 . . . . . A 316 ILE CG1 . 25719 1
203 . 1 1 18 18 ILE CG2 C 13 17.947 0.01 . . . . . A 316 ILE CG2 . 25719 1
204 . 1 1 18 18 ILE CD1 C 13 14.090 0.01 . . . . . A 316 ILE CD1 . 25719 1
205 . 1 1 18 18 ILE N N 15 123.119 0.03 . . . . . A 316 ILE N . 25719 1
206 . 1 1 19 19 LYS H H 1 7.749 0.001 . . . . . A 317 LYS H . 25719 1
207 . 1 1 19 19 LYS HA H 1 4.310 0.001 . . . . . A 317 LYS HA . 25719 1
208 . 1 1 19 19 LYS HB2 H 1 2.040 0.001 . . . . . A 317 LYS HB2 . 25719 1
209 . 1 1 19 19 LYS HB3 H 1 2.040 0.001 . . . . . A 317 LYS HB3 . 25719 1
210 . 1 1 19 19 LYS HG2 H 1 1.543 0.001 . . . . . A 317 LYS HG2 . 25719 1
211 . 1 1 19 19 LYS HG3 H 1 1.434 0.001 . . . . . A 317 LYS HG3 . 25719 1
212 . 1 1 19 19 LYS HD2 H 1 1.747 0.001 . . . . . A 317 LYS HD2 . 25719 1
213 . 1 1 19 19 LYS HD3 H 1 1.747 0.001 . . . . . A 317 LYS HD3 . 25719 1
214 . 1 1 19 19 LYS HE2 H 1 3.018 0.001 . . . . . A 317 LYS HE2 . 25719 1
215 . 1 1 19 19 LYS HE3 H 1 3.018 0.001 . . . . . A 317 LYS HE3 . 25719 1
216 . 1 1 19 19 LYS CA C 13 55.778 0.01 . . . . . A 317 LYS CA . 25719 1
217 . 1 1 19 19 LYS CB C 13 32.050 0.01 . . . . . A 317 LYS CB . 25719 1
218 . 1 1 19 19 LYS CG C 13 25.283 0.01 . . . . . A 317 LYS CG . 25719 1
219 . 1 1 19 19 LYS CD C 13 28.854 0.01 . . . . . A 317 LYS CD . 25719 1
220 . 1 1 19 19 LYS CE C 13 42.067 0.01 . . . . . A 317 LYS CE . 25719 1
221 . 1 1 19 19 LYS N N 15 118.582 0.03 . . . . . A 317 LYS N . 25719 1
222 . 1 1 20 20 CYS H H 1 7.561 0.001 . . . . . A 318 CYS H . 25719 1
223 . 1 1 20 20 CYS HA H 1 3.939 0.001 . . . . . A 318 CYS HA . 25719 1
224 . 1 1 20 20 CYS HB2 H 1 3.123 0.001 . . . . . A 318 CYS HB2 . 25719 1
225 . 1 1 20 20 CYS HB3 H 1 2.980 0.001 . . . . . A 318 CYS HB3 . 25719 1
226 . 1 1 20 20 CYS CA C 13 61.962 0.01 . . . . . A 318 CYS CA . 25719 1
227 . 1 1 20 20 CYS CB C 13 30.054 0.01 . . . . . A 318 CYS CB . 25719 1
228 . 1 1 20 20 CYS N N 15 123.461 0.03 . . . . . A 318 CYS N . 25719 1
229 . 1 1 21 21 ARG H H 1 8.625 0.001 . . . . . A 319 ARG H . 25719 1
230 . 1 1 21 21 ARG HA H 1 4.298 0.001 . . . . . A 319 ARG HA . 25719 1
231 . 1 1 21 21 ARG HB2 H 1 1.649 0.001 . . . . . A 319 ARG HB2 . 25719 1
232 . 1 1 21 21 ARG HB3 H 1 1.446 0.001 . . . . . A 319 ARG HB3 . 25719 1
233 . 1 1 21 21 ARG HG2 H 1 1.410 0.001 . . . . . A 319 ARG HG2 . 25719 1
234 . 1 1 21 21 ARG HG3 H 1 1.121 0.001 . . . . . A 319 ARG HG3 . 25719 1
235 . 1 1 21 21 ARG HD2 H 1 2.988 0.001 . . . . . A 319 ARG HD2 . 25719 1
236 . 1 1 21 21 ARG HD3 H 1 2.988 0.001 . . . . . A 319 ARG HD3 . 25719 1
237 . 1 1 21 21 ARG CA C 13 56.586 0.01 . . . . . A 319 ARG CA . 25719 1
238 . 1 1 21 21 ARG CB C 13 30.015 0.01 . . . . . A 319 ARG CB . 25719 1
239 . 1 1 21 21 ARG CG C 13 26.518 0.01 . . . . . A 319 ARG CG . 25719 1
240 . 1 1 21 21 ARG CD C 13 43.237 0.01 . . . . . A 319 ARG CD . 25719 1
241 . 1 1 21 21 ARG N N 15 127.758 0.03 . . . . . A 319 ARG N . 25719 1
242 . 1 1 22 22 PHE H H 1 9.146 0.001 . . . . . A 320 PHE H . 25719 1
243 . 1 1 22 22 PHE HA H 1 4.882 0.001 . . . . . A 320 PHE HA . 25719 1
244 . 1 1 22 22 PHE HB2 H 1 3.345 0.001 . . . . . A 320 PHE HB2 . 25719 1
245 . 1 1 22 22 PHE HB3 H 1 3.056 0.001 . . . . . A 320 PHE HB3 . 25719 1
246 . 1 1 22 22 PHE HD1 H 1 7.556 0.001 . . . . . A 320 PHE HD1 . 25719 1
247 . 1 1 22 22 PHE HD2 H 1 7.556 0.001 . . . . . A 320 PHE HD2 . 25719 1
248 . 1 1 22 22 PHE HE1 H 1 7.326 0.001 . . . . . A 320 PHE HE1 . 25719 1
249 . 1 1 22 22 PHE HE2 H 1 7.326 0.001 . . . . . A 320 PHE HE2 . 25719 1
250 . 1 1 22 22 PHE HZ H 1 7.267 0.001 . . . . . A 320 PHE HZ . 25719 1
251 . 1 1 22 22 PHE CA C 13 57.685 0.01 . . . . . A 320 PHE CA . 25719 1
252 . 1 1 22 22 PHE CB C 13 40.019 0.01 . . . . . A 320 PHE CB . 25719 1
253 . 1 1 22 22 PHE CD1 C 13 132.865 0.01 . . . . . A 320 PHE CD1 . 25719 1
254 . 1 1 22 22 PHE CD2 C 13 132.865 0.01 . . . . . A 320 PHE CD2 . 25719 1
255 . 1 1 22 22 PHE CE1 C 13 130.950 0.01 . . . . . A 320 PHE CE1 . 25719 1
256 . 1 1 22 22 PHE CE2 C 13 130.950 0.01 . . . . . A 320 PHE CE2 . 25719 1
257 . 1 1 22 22 PHE CZ C 13 129.763 0.01 . . . . . A 320 PHE CZ . 25719 1
258 . 1 1 22 22 PHE N N 15 122.663 0.03 . . . . . A 320 PHE N . 25719 1
259 . 1 1 23 23 PHE H H 1 8.634 0.001 . . . . . A 321 PHE H . 25719 1
260 . 1 1 23 23 PHE HA H 1 4.712 0.001 . . . . . A 321 PHE HA . 25719 1
261 . 1 1 23 23 PHE HB2 H 1 3.040 0.001 . . . . . A 321 PHE HB2 . 25719 1
262 . 1 1 23 23 PHE HB3 H 1 2.581 0.001 . . . . . A 321 PHE HB3 . 25719 1
263 . 1 1 23 23 PHE HD1 H 1 7.132 0.001 . . . . . A 321 PHE HD1 . 25719 1
264 . 1 1 23 23 PHE HD2 H 1 7.132 0.001 . . . . . A 321 PHE HD2 . 25719 1
265 . 1 1 23 23 PHE HE1 H 1 7.364 0.001 . . . . . A 321 PHE HE1 . 25719 1
266 . 1 1 23 23 PHE HE2 H 1 7.364 0.001 . . . . . A 321 PHE HE2 . 25719 1
267 . 1 1 23 23 PHE HZ H 1 7.360 0.001 . . . . . A 321 PHE HZ . 25719 1
268 . 1 1 23 23 PHE CA C 13 57.782 0.01 . . . . . A 321 PHE CA . 25719 1
269 . 1 1 23 23 PHE CB C 13 40.304 0.01 . . . . . A 321 PHE CB . 25719 1
270 . 1 1 23 23 PHE CD1 C 13 131.530 0.01 . . . . . A 321 PHE CD1 . 25719 1
271 . 1 1 23 23 PHE CD2 C 13 131.530 0.01 . . . . . A 321 PHE CD2 . 25719 1
272 . 1 1 23 23 PHE CE1 C 13 131.593 0.01 . . . . . A 321 PHE CE1 . 25719 1
273 . 1 1 23 23 PHE CE2 C 13 131.593 0.01 . . . . . A 321 PHE CE2 . 25719 1
274 . 1 1 23 23 PHE CZ C 13 130.134 0.01 . . . . . A 321 PHE CZ . 25719 1
275 . 1 1 23 23 PHE N N 15 118.897 0.03 . . . . . A 321 PHE N . 25719 1
276 . 1 1 24 24 HIS H H 1 8.353 0.001 . . . . . A 322 HIS H . 25719 1
277 . 1 1 24 24 HIS HA H 1 4.676 0.001 . . . . . A 322 HIS HA . 25719 1
278 . 1 1 24 24 HIS HB2 H 1 2.917 0.001 . . . . . A 322 HIS HB2 . 25719 1
279 . 1 1 24 24 HIS HB3 H 1 2.817 0.001 . . . . . A 322 HIS HB3 . 25719 1
280 . 1 1 24 24 HIS HD2 H 1 7.000 0.001 . . . . . A 322 HIS HD2 . 25719 1
281 . 1 1 24 24 HIS HE1 H 1 8.145 0.001 . . . . . A 322 HIS HE1 . 25719 1
282 . 1 1 24 24 HIS CA C 13 53.685 0.01 . . . . . A 322 HIS CA . 25719 1
283 . 1 1 24 24 HIS CB C 13 30.210 0.01 . . . . . A 322 HIS CB . 25719 1
284 . 1 1 24 24 HIS CD2 C 13 126.476 0.01 . . . . . A 322 HIS CD2 . 25719 1
285 . 1 1 24 24 HIS CE1 C 13 140.073 0.01 . . . . . A 322 HIS CE1 . 25719 1
286 . 1 1 24 24 HIS N N 15 128.020 0.03 . . . . . A 322 HIS N . 25719 1
287 . 1 1 25 25 PRO HA H 1 4.053 0.001 . . . . . A 323 PRO HA . 25719 1
288 . 1 1 25 25 PRO HB2 H 1 1.932 0.001 . . . . . A 323 PRO HB2 . 25719 1
289 . 1 1 25 25 PRO HB3 H 1 2.311 0.001 . . . . . A 323 PRO HB3 . 25719 1
290 . 1 1 25 25 PRO HG2 H 1 1.998 0.001 . . . . . A 323 PRO HG2 . 25719 1
291 . 1 1 25 25 PRO HG3 H 1 1.922 0.001 . . . . . A 323 PRO HG3 . 25719 1
292 . 1 1 25 25 PRO HD2 H 1 3.730 0.001 . . . . . A 323 PRO HD2 . 25719 1
293 . 1 1 25 25 PRO HD3 H 1 3.112 0.001 . . . . . A 323 PRO HD3 . 25719 1
294 . 1 1 25 25 PRO CA C 13 63.365 0.01 . . . . . A 323 PRO CA . 25719 1
295 . 1 1 25 25 PRO CB C 13 31.931 0.01 . . . . . A 323 PRO CB . 25719 1
296 . 1 1 25 25 PRO CG C 13 26.852 0.01 . . . . . A 323 PRO CG . 25719 1
297 . 1 1 25 25 PRO CD C 13 50.740 0.01 . . . . . A 323 PRO CD . 25719 1
298 . 1 1 26 26 GLU H H 1 9.277 0.001 . . . . . A 324 GLU H . 25719 1
299 . 1 1 26 26 GLU HA H 1 4.262 0.001 . . . . . A 324 GLU HA . 25719 1
300 . 1 1 26 26 GLU HB2 H 1 2.028 0.001 . . . . . A 324 GLU HB2 . 25719 1
301 . 1 1 26 26 GLU HB3 H 1 2.028 0.001 . . . . . A 324 GLU HB3 . 25719 1
302 . 1 1 26 26 GLU HG2 H 1 2.375 0.001 . . . . . A 324 GLU HG2 . 25719 1
303 . 1 1 26 26 GLU HG3 H 1 2.202 0.001 . . . . . A 324 GLU HG3 . 25719 1
304 . 1 1 26 26 GLU CA C 13 56.571 0.01 . . . . . A 324 GLU CA . 25719 1
305 . 1 1 26 26 GLU CB C 13 29.255 0.01 . . . . . A 324 GLU CB . 25719 1
306 . 1 1 26 26 GLU CG C 13 35.997 0.01 . . . . . A 324 GLU CG . 25719 1
307 . 1 1 26 26 GLU N N 15 119.489 0.03 . . . . . A 324 GLU N . 25719 1
308 . 1 1 27 27 ARG H H 1 7.958 0.001 . . . . . A 325 ARG H . 25719 1
309 . 1 1 27 27 ARG HA H 1 4.675 0.001 . . . . . A 325 ARG HA . 25719 1
310 . 1 1 27 27 ARG HB2 H 1 1.857 0.001 . . . . . A 325 ARG HB2 . 25719 1
311 . 1 1 27 27 ARG HB3 H 1 1.749 0.001 . . . . . A 325 ARG HB3 . 25719 1
312 . 1 1 27 27 ARG HG2 H 1 1.695 0.001 . . . . . A 325 ARG HG2 . 25719 1
313 . 1 1 27 27 ARG HG3 H 1 1.641 0.001 . . . . . A 325 ARG HG3 . 25719 1
314 . 1 1 27 27 ARG HD2 H 1 3.220 0.001 . . . . . A 325 ARG HD2 . 25719 1
315 . 1 1 27 27 ARG HD3 H 1 3.220 0.001 . . . . . A 325 ARG HD3 . 25719 1
316 . 1 1 27 27 ARG CA C 13 53.943 0.01 . . . . . A 325 ARG CA . 25719 1
317 . 1 1 27 27 ARG CB C 13 30.458 0.01 . . . . . A 325 ARG CB . 25719 1
318 . 1 1 27 27 ARG CG C 13 26.726 0.01 . . . . . A 325 ARG CG . 25719 1
319 . 1 1 27 27 ARG CD C 13 43.524 0.01 . . . . . A 325 ARG CD . 25719 1
320 . 1 1 27 27 ARG N N 15 123.290 0.03 . . . . . A 325 ARG N . 25719 1
321 . 1 1 28 28 PRO HA H 1 4.493 0.001 . . . . . A 326 PRO HA . 25719 1
322 . 1 1 28 28 PRO HB2 H 1 1.917 0.001 . . . . . A 326 PRO HB2 . 25719 1
323 . 1 1 28 28 PRO HB3 H 1 2.330 0.001 . . . . . A 326 PRO HB3 . 25719 1
324 . 1 1 28 28 PRO HG2 H 1 2.017 0.001 . . . . . A 326 PRO HG2 . 25719 1
325 . 1 1 28 28 PRO HG3 H 1 2.017 0.001 . . . . . A 326 PRO HG3 . 25719 1
326 . 1 1 28 28 PRO HD2 H 1 3.812 0.001 . . . . . A 326 PRO HD2 . 25719 1
327 . 1 1 28 28 PRO HD3 H 1 3.642 0.001 . . . . . A 326 PRO HD3 . 25719 1
328 . 1 1 28 28 PRO CA C 13 63.231 0.01 . . . . . A 326 PRO CA . 25719 1
329 . 1 1 28 28 PRO CB C 13 32.195 0.01 . . . . . A 326 PRO CB . 25719 1
330 . 1 1 28 28 PRO CG C 13 27.438 0.01 . . . . . A 326 PRO CG . 25719 1
331 . 1 1 28 28 PRO CD C 13 50.666 0.01 . . . . . A 326 PRO CD . 25719 1
332 . 1 1 29 29 SER H H 1 8.560 0.001 . . . . . A 327 SER H . 25719 1
333 . 1 1 29 29 SER HA H 1 4.454 0.001 . . . . . A 327 SER HA . 25719 1
334 . 1 1 29 29 SER HB2 H 1 3.921 0.001 . . . . . A 327 SER HB2 . 25719 1
335 . 1 1 29 29 SER HB3 H 1 3.921 0.001 . . . . . A 327 SER HB3 . 25719 1
336 . 1 1 29 29 SER CA C 13 58.346 0.01 . . . . . A 327 SER CA . 25719 1
337 . 1 1 29 29 SER CB C 13 64.056 0.01 . . . . . A 327 SER CB . 25719 1
338 . 1 1 29 29 SER N N 15 117.096 0.03 . . . . . A 327 SER N . 25719 1
stop_
save_