###################################
# 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 18363
_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' . . . 18363 1
2 '2D 1H-13C HSQC' . . . 18363 1
3 '2D 1H-1H TOCSY' . . . 18363 1
5 '2D 1H-1H NOESY' . . . 18363 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 THR HA H 1 3.834 0.001 . 1 . . . A 1 THR HA . 18363 1
2 . 1 1 1 1 THR HB H 1 4.097 0.002 . 1 . . . A 1 THR HB . 18363 1
3 . 1 1 1 1 THR HG21 H 1 1.264 0.05 . 1 . . . A 1 THR HG21 . 18363 1
4 . 1 1 1 1 THR HG22 H 1 1.264 0.05 . 1 . . . A 1 THR HG22 . 18363 1
5 . 1 1 1 1 THR HG23 H 1 1.264 0.05 . 1 . . . A 1 THR HG23 . 18363 1
6 . 1 1 1 1 THR CA C 13 58.305 0.1 . 1 . . . A 1 THR CA . 18363 1
7 . 1 1 1 1 THR CB C 13 66.124 0.1 . 1 . . . A 1 THR CB . 18363 1
8 . 1 1 2 2 CYS H H 1 8.875 0.002 . 1 . . . A 2 CYS H . 18363 1
9 . 1 1 2 2 CYS HA H 1 4.867 0.003 . 1 . . . A 2 CYS HA . 18363 1
10 . 1 1 2 2 CYS HB2 H 1 3.192 0.05 . 2 . . . A 2 CYS HB2 . 18363 1
11 . 1 1 2 2 CYS HB3 H 1 3.053 0.05 . 2 . . . A 2 CYS HB3 . 18363 1
12 . 1 1 2 2 CYS N N 15 122.143 0.1 . 1 . . . A 2 CYS N . 18363 1
13 . 1 1 3 3 HIS H H 1 9.010 0.014 . 1 . . . A 3 HIS H . 18363 1
14 . 1 1 3 3 HIS HA H 1 4.738 0.007 . 1 . . . A 3 HIS HA . 18363 1
15 . 1 1 3 3 HIS HB2 H 1 2.982 0.007 . 2 . . . A 3 HIS HB2 . 18363 1
16 . 1 1 3 3 HIS HB3 H 1 3.250 0.008 . 2 . . . A 3 HIS HB3 . 18363 1
17 . 1 1 3 3 HIS CA C 13 52.500 0.1 . 1 . . . A 3 HIS CA . 18363 1
18 . 1 1 3 3 HIS CB C 13 26.230 0.011 . 1 . . . A 3 HIS CB . 18363 1
19 . 1 1 3 3 HIS N N 15 121.482 0.000 . 1 . . . A 3 HIS N . 18363 1
20 . 1 1 4 4 ILE H H 1 8.425 0.014 . 1 . . . A 4 ILE H . 18363 1
21 . 1 1 4 4 ILE HA H 1 4.189 0.001 . 1 . . . A 4 ILE HA . 18363 1
22 . 1 1 4 4 ILE HB H 1 1.877 0.006 . 1 . . . A 4 ILE HB . 18363 1
23 . 1 1 4 4 ILE HG13 H 1 1.201 0.002 . 2 . . . A 4 ILE HG13 . 18363 1
24 . 1 1 4 4 ILE HG21 H 1 0.934 0.05 . 1 . . . A 4 ILE HG21 . 18363 1
25 . 1 1 4 4 ILE HG22 H 1 0.934 0.05 . 1 . . . A 4 ILE HG22 . 18363 1
26 . 1 1 4 4 ILE HG23 H 1 0.934 0.05 . 1 . . . A 4 ILE HG23 . 18363 1
27 . 1 1 4 4 ILE HD11 H 1 0.901 0.05 . 1 . . . A 4 ILE HD11 . 18363 1
28 . 1 1 4 4 ILE HD12 H 1 0.901 0.05 . 1 . . . A 4 ILE HD12 . 18363 1
29 . 1 1 4 4 ILE HD13 H 1 0.901 0.05 . 1 . . . A 4 ILE HD13 . 18363 1
30 . 1 1 4 4 ILE CA C 13 58.576 0.1 . 1 . . . A 4 ILE CA . 18363 1
31 . 1 1 4 4 ILE CB C 13 35.731 0.1 . 1 . . . A 4 ILE CB . 18363 1
32 . 1 1 4 4 ILE N N 15 123.626 0.1 . 1 . . . A 4 ILE N . 18363 1
33 . 1 1 5 5 ARG H H 1 8.711 0.006 . 1 . . . A 5 ARG H . 18363 1
34 . 1 1 5 5 ARG HA H 1 4.414 0.006 . 1 . . . A 5 ARG HA . 18363 1
35 . 1 1 5 5 ARG HB2 H 1 1.714 0.003 . 2 . . . A 5 ARG HB2 . 18363 1
36 . 1 1 5 5 ARG HB3 H 1 1.814 0.002 . 2 . . . A 5 ARG HB3 . 18363 1
37 . 1 1 5 5 ARG HG2 H 1 1.524 0.003 . 2 . . . A 5 ARG HG2 . 18363 1
38 . 1 1 5 5 ARG HG3 H 1 1.579 0.003 . 2 . . . A 5 ARG HG3 . 18363 1
39 . 1 1 5 5 ARG HD3 H 1 3.031 0.002 . 2 . . . A 5 ARG HD3 . 18363 1
40 . 1 1 5 5 ARG HE H 1 7.201 0.002 . 1 . . . A 5 ARG HE . 18363 1
41 . 1 1 5 5 ARG CA C 13 53.653 0.1 . 1 . . . A 5 ARG CA . 18363 1
42 . 1 1 5 5 ARG CB C 13 29.043 0.1 . 1 . . . A 5 ARG CB . 18363 1
43 . 1 1 5 5 ARG N N 15 126.410 0.1 . 1 . . . A 5 ARG N . 18363 1
44 . 1 1 6 6 ARG H H 1 8.325 0.010 . 1 . . . A 6 ARG H . 18363 1
45 . 1 1 6 6 ARG HA H 1 4.367 0.001 . 1 . . . A 6 ARG HA . 18363 1
46 . 1 1 6 6 ARG HB2 H 1 1.768 0.020 . 2 . . . A 6 ARG HB2 . 18363 1
47 . 1 1 6 6 ARG HB3 H 1 1.833 0.002 . 2 . . . A 6 ARG HB3 . 18363 1
48 . 1 1 6 6 ARG HG2 H 1 1.610 0.05 . 2 . . . A 6 ARG HG2 . 18363 1
49 . 1 1 6 6 ARG HG3 H 1 1.655 0.05 . 2 . . . A 6 ARG HG3 . 18363 1
50 . 1 1 6 6 ARG HD3 H 1 3.172 0.003 . 2 . . . A 6 ARG HD3 . 18363 1
51 . 1 1 6 6 ARG HE H 1 7.228 0.011 . 1 . . . A 6 ARG HE . 18363 1
52 . 1 1 6 6 ARG CA C 13 52.886 0.1 . 1 . . . A 6 ARG CA . 18363 1
53 . 1 1 6 6 ARG CB C 13 28.586 0.1 . 1 . . . A 6 ARG CB . 18363 1
54 . 1 1 6 6 ARG N N 15 122.179 0.1 . 1 . . . A 6 ARG N . 18363 1
55 . 1 1 7 7 LYS H H 1 8.447 0.002 . 1 . . . A 7 LYS H . 18363 1
56 . 1 1 7 7 LYS HA H 1 4.476 0.020 . 1 . . . A 7 LYS HA . 18363 1
57 . 1 1 7 7 LYS HB3 H 1 1.814 0.003 . 2 . . . A 7 LYS HB3 . 18363 1
58 . 1 1 7 7 LYS HG3 H 1 1.429 0.05 . 2 . . . A 7 LYS HG3 . 18363 1
59 . 1 1 7 7 LYS HD3 H 1 1.691 0.05 . 2 . . . A 7 LYS HD3 . 18363 1
60 . 1 1 7 7 LYS HE3 H 1 3.005 0.05 . 2 . . . A 7 LYS HE3 . 18363 1
61 . 1 1 7 7 LYS CA C 13 51.935 0.1 . 1 . . . A 7 LYS CA . 18363 1
62 . 1 1 7 7 LYS CB C 13 29.578 0.1 . 1 . . . A 7 LYS CB . 18363 1
63 . 1 1 7 7 LYS N N 15 123.819 0.1 . 1 . . . A 7 LYS N . 18363 1
64 . 1 1 8 8 PRO HA H 1 4.393 0.003 . 1 . . . A 8 PRO HA . 18363 1
65 . 1 1 8 8 PRO HB2 H 1 2.242 0.002 . 2 . . . A 8 PRO HB2 . 18363 1
66 . 1 1 8 8 PRO HG2 H 1 1.845 0.05 . 2 . . . A 8 PRO HG2 . 18363 1
67 . 1 1 8 8 PRO HG3 H 1 1.981 0.001 . 2 . . . A 8 PRO HG3 . 18363 1
68 . 1 1 8 8 PRO HD2 H 1 3.571 0.004 . 2 . . . A 8 PRO HD2 . 18363 1
69 . 1 1 8 8 PRO HD3 H 1 3.802 0.002 . 2 . . . A 8 PRO HD3 . 18363 1
70 . 1 1 8 8 PRO CA C 13 60.435 0.1 . 1 . . . A 8 PRO CA . 18363 1
71 . 1 1 8 8 PRO CB C 13 29.255 0.1 . 1 . . . A 8 PRO CB . 18363 1
72 . 1 1 8 8 PRO CD C 13 47.795 0.041 . 1 . . . A 8 PRO CD . 18363 1
73 . 1 1 9 9 LYS H H 1 8.399 0.002 . 1 . . . A 9 LYS H . 18363 1
74 . 1 1 9 9 LYS HA H 1 4.166 0.007 . 1 . . . A 9 LYS HA . 18363 1
75 . 1 1 9 9 LYS HB2 H 1 1.688 0.05 . 2 . . . A 9 LYS HB2 . 18363 1
76 . 1 1 9 9 LYS HB3 H 1 1.662 0.05 . 2 . . . A 9 LYS HB3 . 18363 1
77 . 1 1 9 9 LYS HG3 H 1 1.227 0.05 . 2 . . . A 9 LYS HG3 . 18363 1
78 . 1 1 9 9 LYS HD3 H 1 1.335 0.05 . 2 . . . A 9 LYS HD3 . 18363 1
79 . 1 1 9 9 LYS HE3 H 1 2.697 0.05 . 2 . . . A 9 LYS HE3 . 18363 1
80 . 1 1 9 9 LYS CA C 13 54.057 0.1 . 1 . . . A 9 LYS CA . 18363 1
81 . 1 1 9 9 LYS CB C 13 29.997 0.1 . 1 . . . A 9 LYS CB . 18363 1
82 . 1 1 9 9 LYS N N 15 120.323 0.1 . 1 . . . A 9 LYS N . 18363 1
83 . 1 1 10 10 PHE H H 1 8.053 0.008 . 1 . . . A 10 PHE H . 18363 1
84 . 1 1 10 10 PHE HA H 1 4.688 0.002 . 1 . . . A 10 PHE HA . 18363 1
85 . 1 1 10 10 PHE HB2 H 1 3.202 0.001 . 2 . . . A 10 PHE HB2 . 18363 1
86 . 1 1 10 10 PHE HB3 H 1 3.068 0.001 . 2 . . . A 10 PHE HB3 . 18363 1
87 . 1 1 10 10 PHE CA C 13 55.395 0.1 . 1 . . . A 10 PHE CA . 18363 1
88 . 1 1 10 10 PHE CB C 13 37.156 0.009 . 1 . . . A 10 PHE CB . 18363 1
89 . 1 1 10 10 PHE N N 15 121.894 0.1 . 1 . . . A 10 PHE N . 18363 1
90 . 1 1 11 11 ARG H H 1 8.213 0.001 . 1 . . . A 11 ARG H . 18363 1
91 . 1 1 11 11 ARG HA H 1 4.269 0.001 . 1 . . . A 11 ARG HA . 18363 1
92 . 1 1 11 11 ARG HB2 H 1 1.809 0.017 . 2 . . . A 11 ARG HB2 . 18363 1
93 . 1 1 11 11 ARG HB3 H 1 1.727 0.016 . 2 . . . A 11 ARG HB3 . 18363 1
94 . 1 1 11 11 ARG HG2 H 1 1.533 0.05 . 2 . . . A 11 ARG HG2 . 18363 1
95 . 1 1 11 11 ARG HG3 H 1 1.583 0.015 . 2 . . . A 11 ARG HG3 . 18363 1
96 . 1 1 11 11 ARG HD3 H 1 3.173 0.004 . 2 . . . A 11 ARG HD3 . 18363 1
97 . 1 1 11 11 ARG HE H 1 7.244 0.008 . 1 . . . A 11 ARG HE . 18363 1
98 . 1 1 11 11 ARG CA C 13 53.554 0.1 . 1 . . . A 11 ARG CA . 18363 1
99 . 1 1 11 11 ARG CB C 13 28.504 0.1 . 1 . . . A 11 ARG CB . 18363 1
100 . 1 1 11 11 ARG N N 15 122.102 0.1 . 1 . . . A 11 ARG N . 18363 1
101 . 1 1 12 12 LYS H H 1 8.188 0.004 . 1 . . . A 12 LYS H . 18363 1
102 . 1 1 12 12 LYS HA H 1 4.215 0.002 . 1 . . . A 12 LYS HA . 18363 1
103 . 1 1 12 12 LYS HB3 H 1 1.743 0.05 . 2 . . . A 12 LYS HB3 . 18363 1
104 . 1 1 12 12 LYS HG2 H 1 1.268 0.05 . 2 . . . A 12 LYS HG2 . 18363 1
105 . 1 1 12 12 LYS HG3 H 1 1.352 0.05 . 2 . . . A 12 LYS HG3 . 18363 1
106 . 1 1 12 12 LYS HD3 H 1 1.680 0.05 . 2 . . . A 12 LYS HD3 . 18363 1
107 . 1 1 12 12 LYS HE3 H 1 2.916 0.05 . 2 . . . A 12 LYS HE3 . 18363 1
108 . 1 1 12 12 LYS CA C 13 53.741 0.1 . 1 . . . A 12 LYS CA . 18363 1
109 . 1 1 12 12 LYS CB C 13 29.790 0.1 . 1 . . . A 12 LYS CB . 18363 1
110 . 1 1 12 12 LYS N N 15 121.158 0.1 . 1 . . . A 12 LYS N . 18363 1
111 . 1 1 13 13 PHE H H 1 8.042 0.006 . 1 . . . A 13 PHE H . 18363 1
112 . 1 1 13 13 PHE HA H 1 4.668 0.005 . 1 . . . A 13 PHE HA . 18363 1
113 . 1 1 13 13 PHE HB2 H 1 3.055 0.005 . 2 . . . A 13 PHE HB2 . 18363 1
114 . 1 1 13 13 PHE HB3 H 1 3.181 0.009 . 2 . . . A 13 PHE HB3 . 18363 1
115 . 1 1 13 13 PHE CA C 13 54.624 0.1 . 1 . . . A 13 PHE CA . 18363 1
116 . 1 1 13 13 PHE CB C 13 40.464 0.003 . 1 . . . A 13 PHE CB . 18363 1
117 . 1 1 13 13 PHE N N 15 119.869 0.1 . 1 . . . A 13 PHE N . 18363 1
118 . 1 1 14 14 LYS H H 1 8.297 0.003 . 1 . . . A 14 LYS H . 18363 1
119 . 1 1 14 14 LYS HA H 1 4.228 0.004 . 1 . . . A 14 LYS HA . 18363 1
120 . 1 1 14 14 LYS HB3 H 1 1.730 0.004 . 2 . . . A 14 LYS HB3 . 18363 1
121 . 1 1 14 14 LYS HG2 H 1 1.307 0.05 . 2 . . . A 14 LYS HG2 . 18363 1
122 . 1 1 14 14 LYS HG3 H 1 1.364 0.05 . 2 . . . A 14 LYS HG3 . 18363 1
123 . 1 1 14 14 LYS HD2 H 1 1.597 0.05 . 2 . . . A 14 LYS HD2 . 18363 1
124 . 1 1 14 14 LYS HD3 H 1 1.676 0.05 . 2 . . . A 14 LYS HD3 . 18363 1
125 . 1 1 14 14 LYS HE3 H 1 2.969 0.05 . 2 . . . A 14 LYS HE3 . 18363 1
126 . 1 1 14 14 LYS CA C 13 57.694 0.1 . 1 . . . A 14 LYS CA . 18363 1
127 . 1 1 14 14 LYS CB C 13 29.816 0.1 . 1 . . . A 14 LYS CB . 18363 1
128 . 1 1 14 14 LYS N N 15 122.425 0.1 . 1 . . . A 14 LYS N . 18363 1
129 . 1 1 15 15 LEU H H 1 8.064 0.010 . 1 . . . A 15 LEU H . 18363 1
130 . 1 1 15 15 LEU HA H 1 4.406 0.006 . 1 . . . A 15 LEU HA . 18363 1
131 . 1 1 15 15 LEU HB2 H 1 1.519 0.009 . 2 . . . A 15 LEU HB2 . 18363 1
132 . 1 1 15 15 LEU HB3 H 1 1.607 0.001 . 2 . . . A 15 LEU HB3 . 18363 1
133 . 1 1 15 15 LEU HG H 1 1.186 0.05 . 1 . . . A 15 LEU HG . 18363 1
134 . 1 1 15 15 LEU HD11 H 1 0.885 0.003 . 2 . . . A 15 LEU HD11 . 18363 1
135 . 1 1 15 15 LEU HD12 H 1 0.885 0.003 . 2 . . . A 15 LEU HD12 . 18363 1
136 . 1 1 15 15 LEU HD13 H 1 0.885 0.003 . 2 . . . A 15 LEU HD13 . 18363 1
137 . 1 1 15 15 LEU HD21 H 1 0.936 0.001 . 2 . . . A 15 LEU HD21 . 18363 1
138 . 1 1 15 15 LEU HD22 H 1 0.936 0.001 . 2 . . . A 15 LEU HD22 . 18363 1
139 . 1 1 15 15 LEU HD23 H 1 0.936 0.001 . 2 . . . A 15 LEU HD23 . 18363 1
140 . 1 1 15 15 LEU CA C 13 52.480 0.1 . 1 . . . A 15 LEU CA . 18363 1
141 . 1 1 15 15 LEU CB C 13 40.168 0.066 . 1 . . . A 15 LEU CB . 18363 1
142 . 1 1 15 15 LEU N N 15 118.890 0.1 . 1 . . . A 15 LEU N . 18363 1
143 . 1 1 16 16 TYR H H 1 8.382 0.005 . 1 . . . A 16 TYR H . 18363 1
144 . 1 1 16 16 TYR HA H 1 4.583 0.004 . 1 . . . A 16 TYR HA . 18363 1
145 . 1 1 16 16 TYR HB2 H 1 2.942 0.015 . 2 . . . A 16 TYR HB2 . 18363 1
146 . 1 1 16 16 TYR HB3 H 1 2.939 0.016 . 2 . . . A 16 TYR HB3 . 18363 1
147 . 1 1 16 16 TYR HD1 H 1 7.078 0.003 . 3 . . . A 16 TYR HD1 . 18363 1
148 . 1 1 16 16 TYR HD2 H 1 7.078 0.003 . 3 . . . A 16 TYR HD2 . 18363 1
149 . 1 1 16 16 TYR HE1 H 1 6.805 0.001 . 3 . . . A 16 TYR HE1 . 18363 1
150 . 1 1 16 16 TYR HE2 H 1 6.805 0.001 . 3 . . . A 16 TYR HE2 . 18363 1
151 . 1 1 16 16 TYR CA C 13 54.902 0.1 . 1 . . . A 16 TYR CA . 18363 1
152 . 1 1 16 16 TYR CB C 13 39.033 0.1 . 1 . . . A 16 TYR CB . 18363 1
153 . 1 1 16 16 TYR CE1 C 13 115.223 0.1 . 3 . . . A 16 TYR CE1 . 18363 1
154 . 1 1 16 16 TYR CE2 C 13 115.223 0.1 . 3 . . . A 16 TYR CE2 . 18363 1
155 . 1 1 16 16 TYR N N 15 120.952 0.1 . 1 . . . A 16 TYR N . 18363 1
156 . 1 1 17 17 HIS H H 1 8.524 0.003 . 1 . . . A 17 HIS H . 18363 1
157 . 1 1 17 17 HIS HA H 1 4.526 0.010 . 1 . . . A 17 HIS HA . 18363 1
158 . 1 1 17 17 HIS HB2 H 1 2.845 0.05 . 2 . . . A 17 HIS HB2 . 18363 1
159 . 1 1 17 17 HIS HB3 H 1 3.082 0.001 . 2 . . . A 17 HIS HB3 . 18363 1
160 . 1 1 17 17 HIS CA C 13 51.935 0.1 . 1 . . . A 17 HIS CA . 18363 1
161 . 1 1 17 17 HIS CB C 13 26.308 0.1 . 1 . . . A 17 HIS CB . 18363 1
162 . 1 1 17 17 HIS N N 15 120.795 0.1 . 1 . . . A 17 HIS N . 18363 1
163 . 1 1 18 18 GLU H H 1 8.489 0.012 . 1 . . . A 18 GLU H . 18363 1
164 . 1 1 18 18 GLU HA H 1 4.340 0.004 . 1 . . . A 18 GLU HA . 18363 1
165 . 1 1 18 18 GLU HB2 H 1 1.990 0.05 . 2 . . . A 18 GLU HB2 . 18363 1
166 . 1 1 18 18 GLU HB3 H 1 2.119 0.003 . 2 . . . A 18 GLU HB3 . 18363 1
167 . 1 1 18 18 GLU HG3 H 1 2.317 0.05 . 2 . . . A 18 GLU HG3 . 18363 1
168 . 1 1 18 18 GLU CA C 13 52.989 0.1 . 1 . . . A 18 GLU CA . 18363 1
169 . 1 1 18 18 GLU CB C 13 26.490 0.1 . 1 . . . A 18 GLU CB . 18363 1
170 . 1 1 18 18 GLU N N 15 122.417 0.1 . 1 . . . A 18 GLU N . 18363 1
171 . 1 1 19 19 GLY H H 1 8.504 0.003 . 1 . . . A 19 GLY H . 18363 1
172 . 1 1 19 19 GLY HA2 H 1 3.930 0.012 . 2 . . . A 19 GLY HA2 . 18363 1
173 . 1 1 19 19 GLY HA3 H 1 4.056 0.002 . 2 . . . A 19 GLY HA3 . 18363 1
174 . 1 1 19 19 GLY CA C 13 42.690 0.005 . 1 . . . A 19 GLY CA . 18363 1
175 . 1 1 19 19 GLY N N 15 110.487 0.1 . 1 . . . A 19 GLY N . 18363 1
176 . 1 1 20 20 LYS H H 1 8.348 0.002 . 1 . . . A 20 LYS H . 18363 1
177 . 1 1 20 20 LYS HA H 1 4.278 0.001 . 1 . . . A 20 LYS HA . 18363 1
178 . 1 1 20 20 LYS HB3 H 1 1.658 0.004 . 2 . . . A 20 LYS HB3 . 18363 1
179 . 1 1 20 20 LYS HG3 H 1 1.260 0.05 . 2 . . . A 20 LYS HG3 . 18363 1
180 . 1 1 20 20 LYS HD3 H 1 1.598 0.05 . 2 . . . A 20 LYS HD3 . 18363 1
181 . 1 1 20 20 LYS HE3 H 1 2.942 0.05 . 2 . . . A 20 LYS HE3 . 18363 1
182 . 1 1 20 20 LYS CB C 13 29.824 0.1 . 1 . . . A 20 LYS CB . 18363 1
183 . 1 1 20 20 LYS N N 15 120.892 0.1 . 1 . . . A 20 LYS N . 18363 1
184 . 1 1 21 21 PHE H H 1 8.196 0.001 . 1 . . . A 21 PHE H . 18363 1
185 . 1 1 21 21 PHE HA H 1 4.661 0.002 . 1 . . . A 21 PHE HA . 18363 1
186 . 1 1 21 21 PHE HB2 H 1 2.976 0.002 . 2 . . . A 21 PHE HB2 . 18363 1
187 . 1 1 21 21 PHE HB3 H 1 2.995 0.015 . 2 . . . A 21 PHE HB3 . 18363 1
188 . 1 1 21 21 PHE HD1 H 1 6.977 0.003 . 3 . . . A 21 PHE HD1 . 18363 1
189 . 1 1 21 21 PHE HD2 H 1 6.977 0.003 . 3 . . . A 21 PHE HD2 . 18363 1
190 . 1 1 21 21 PHE HE1 H 1 7.068 0.012 . 3 . . . A 21 PHE HE1 . 18363 1
191 . 1 1 21 21 PHE HE2 H 1 7.068 0.012 . 3 . . . A 21 PHE HE2 . 18363 1
192 . 1 1 21 21 PHE HZ H 1 7.165 0.05 . 1 . . . A 21 PHE HZ . 18363 1
193 . 1 1 21 21 PHE CA C 13 54.625 0.1 . 1 . . . A 21 PHE CA . 18363 1
194 . 1 1 21 21 PHE CB C 13 39.439 0.1 . 1 . . . A 21 PHE CB . 18363 1
195 . 1 1 21 21 PHE N N 15 119.510 0.1 . 1 . . . A 21 PHE N . 18363 1
196 . 1 1 22 22 TRP H H 1 8.292 0.002 . 1 . . . A 22 TRP H . 18363 1
197 . 1 1 22 22 TRP HA H 1 5.003 0.007 . 1 . . . A 22 TRP HA . 18363 1
198 . 1 1 22 22 TRP HB2 H 1 3.181 0.005 . 2 . . . A 22 TRP HB2 . 18363 1
199 . 1 1 22 22 TRP HB3 H 1 3.265 0.009 . 2 . . . A 22 TRP HB3 . 18363 1
200 . 1 1 22 22 TRP HD1 H 1 7.267 0.002 . 1 . . . A 22 TRP HD1 . 18363 1
201 . 1 1 22 22 TRP HE1 H 1 10.151 0.004 . 1 . . . A 22 TRP HE1 . 18363 1
202 . 1 1 22 22 TRP HE3 H 1 7.564 0.011 . 1 . . . A 22 TRP HE3 . 18363 1
203 . 1 1 22 22 TRP HZ2 H 1 7.241 0.000 . 1 . . . A 22 TRP HZ2 . 18363 1
204 . 1 1 22 22 TRP HZ3 H 1 7.445 0.002 . 1 . . . A 22 TRP HZ3 . 18363 1
205 . 1 1 22 22 TRP HH2 H 1 7.121 0.05 . 1 . . . A 22 TRP HH2 . 18363 1
206 . 1 1 22 22 TRP CA C 13 53.793 0.1 . 1 . . . A 22 TRP CA . 18363 1
207 . 1 1 22 22 TRP CB C 13 26.551 0.003 . 1 . . . A 22 TRP CB . 18363 1
208 . 1 1 22 22 TRP N N 15 120.353 0.1 . 1 . . . A 22 TRP N . 18363 1
209 . 1 1 22 22 TRP NE1 N 15 129.330 0.1 . 1 . . . A 22 TRP NE1 . 18363 1
210 . 1 1 23 23 CYS H H 1 8.671 0.016 . 1 . . . A 23 CYS H . 18363 1
211 . 1 1 23 23 CYS HA H 1 4.989 0.014 . 1 . . . A 23 CYS HA . 18363 1
212 . 1 1 23 23 CYS HB3 H 1 2.777 0.008 . 2 . . . A 23 CYS HB3 . 18363 1
213 . 1 1 23 23 CYS CA C 13 49.940 0.1 . 1 . . . A 23 CYS CA . 18363 1
214 . 1 1 23 23 CYS CB C 13 38.541 0.1 . 1 . . . A 23 CYS CB . 18363 1
215 . 1 1 23 23 CYS N N 15 122.911 0.1 . 1 . . . A 23 CYS N . 18363 1
216 . 1 1 24 24 PRO HA H 1 4.335 0.001 . 1 . . . A 24 PRO HA . 18363 1
217 . 1 1 24 24 PRO HB2 H 1 2.226 0.006 . 2 . . . A 24 PRO HB2 . 18363 1
218 . 1 1 24 24 PRO HG2 H 1 1.945 0.001 . 2 . . . A 24 PRO HG2 . 18363 1
219 . 1 1 24 24 PRO HG3 H 1 1.996 0.004 . 2 . . . A 24 PRO HG3 . 18363 1
220 . 1 1 24 24 PRO HD2 H 1 3.511 0.002 . 2 . . . A 24 PRO HD2 . 18363 1
221 . 1 1 24 24 PRO HD3 H 1 3.664 0.001 . 2 . . . A 24 PRO HD3 . 18363 1
222 . 1 1 24 24 PRO CA C 13 61.317 0.1 . 1 . . . A 24 PRO CA . 18363 1
223 . 1 1 24 24 PRO CB C 13 29.138 0.1 . 1 . . . A 24 PRO CB . 18363 1
224 . 1 1 24 24 PRO CD C 13 47.462 0.042 . 1 . . . A 24 PRO CD . 18363 1
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