###################################
# 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_chem_shift_list_in_d2o
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_in_d2o
_Assigned_chem_shift_list.Entry_ID 6576
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $room_temperature
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.017
_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 [1H,_1H]-DQF-COSY 1 $D2O_sample isotropic 6576 1
2 [1H,_1H]-TOCSY 1 $D2O_sample isotropic 6576 1
3 [1H,_1H]-NOESY 1 $D2O_sample isotropic 6576 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 TYR HA H 1 3.34 0.017 . 1 . . . . 1 TYR HA . 6576 1
2 . 1 1 1 1 TYR HB2 H 1 2.68 0.017 . 2 . . . . 1 TYR HB2 . 6576 1
3 . 1 1 1 1 TYR HB3 H 1 2.57 0.017 . 2 . . . . 1 TYR HB3 . 6576 1
4 . 1 1 1 1 TYR HD1 H 1 6.38 0.017 . 1 . . . . 1 TYR HD1 . 6576 1
5 . 1 1 1 1 TYR HD2 H 1 6.38 0.017 . 1 . . . . 1 TYR HD2 . 6576 1
6 . 1 1 1 1 TYR HE1 H 1 6.64 0.017 . 1 . . . . 1 TYR HE1 . 6576 1
7 . 1 1 1 1 TYR HE2 H 1 6.64 0.017 . 1 . . . . 1 TYR HE2 . 6576 1
8 . 1 1 2 2 LYS HA H 1 3.56 0.017 . 1 . . . . 2 LYS HA . 6576 1
9 . 1 1 2 2 LYS HB2 H 1 1.60 0.017 . 1 . . . . 2 LYS HB2 . 6576 1
10 . 1 1 2 2 LYS HB3 H 1 1.60 0.017 . 1 . . . . 2 LYS HB3 . 6576 1
11 . 1 1 2 2 LYS HG2 H 1 1.08 0.017 . 1 . . . . 2 LYS HG2 . 6576 1
12 . 1 1 2 2 LYS HG3 H 1 1.08 0.017 . 1 . . . . 2 LYS HG3 . 6576 1
13 . 1 1 3 3 GLN HA H 1 4.01 0.017 . 1 . . . . 3 GLN HA . 6576 1
14 . 1 1 3 3 GLN HB2 H 1 1.84 0.017 . 1 . . . . 3 GLN HB2 . 6576 1
15 . 1 1 3 3 GLN HB3 H 1 1.84 0.017 . 1 . . . . 3 GLN HB3 . 6576 1
16 . 1 1 3 3 GLN HG2 H 1 2.37 0.017 . 2 . . . . 3 GLN HG2 . 6576 1
17 . 1 1 3 3 GLN HG3 H 1 2.24 0.017 . 2 . . . . 3 GLN HG3 . 6576 1
18 . 1 1 3 3 GLN HE21 H 1 7.45 0.017 . 2 . . . . 3 GLN HE21 . 6576 1
19 . 1 1 3 3 GLN HE22 H 1 6.82 0.017 . 2 . . . . 3 GLN HE22 . 6576 1
20 . 1 1 4 4 CYS HA H 1 4.59 0.017 . 1 . . . . 4 CYS HA . 6576 1
21 . 1 1 4 4 CYS HB2 H 1 3.13 0.017 . 2 . . . . 4 CYS HB2 . 6576 1
22 . 1 1 4 4 CYS HB3 H 1 3.08 0.017 . 2 . . . . 4 CYS HB3 . 6576 1
23 . 1 1 5 5 HIS HA H 1 4.93 0.017 . 1 . . . . 5 HIS HA . 6576 1
24 . 1 1 5 5 HIS HB2 H 1 3.26 0.017 . 2 . . . . 5 HIS HB2 . 6576 1
25 . 1 1 5 5 HIS HB3 H 1 3.22 0.017 . 2 . . . . 5 HIS HB3 . 6576 1
26 . 1 1 5 5 HIS HD2 H 1 6.96 0.017 . 1 . . . . 5 HIS HD2 . 6576 1
27 . 1 1 5 5 HIS HE1 H 1 7.59 0.017 . 1 . . . . 5 HIS HE1 . 6576 1
28 . 1 1 6 6 LYS HA H 1 4.10 0.017 . 1 . . . . 6 LYS HA . 6576 1
29 . 1 1 6 6 LYS HB2 H 1 1.96 0.017 . 1 . . . . 6 LYS HB2 . 6576 1
30 . 1 1 6 6 LYS HB3 H 1 1.96 0.017 . 1 . . . . 6 LYS HB3 . 6576 1
31 . 1 1 6 6 LYS HG2 H 1 1.58 0.017 . 2 . . . . 6 LYS HG2 . 6576 1
32 . 1 1 6 6 LYS HG3 H 1 1.50 0.017 . 2 . . . . 6 LYS HG3 . 6576 1
33 . 1 1 6 6 LYS HD2 H 1 1.67 0.017 . 1 . . . . 6 LYS HD2 . 6576 1
34 . 1 1 6 6 LYS HD3 H 1 1.67 0.017 . 1 . . . . 6 LYS HD3 . 6576 1
35 . 1 1 6 6 LYS HE2 H 1 2.94 0.017 . 1 . . . . 6 LYS HE2 . 6576 1
36 . 1 1 6 6 LYS HE3 H 1 2.94 0.017 . 1 . . . . 6 LYS HE3 . 6576 1
37 . 1 1 7 7 LYS HA H 1 4.17 0.017 . 1 . . . . 7 LYS HA . 6576 1
38 . 1 1 7 7 LYS HB2 H 1 1.73 0.017 . 2 . . . . 7 LYS HB2 . 6576 1
39 . 1 1 7 7 LYS HB3 H 1 1.65 0.017 . 2 . . . . 7 LYS HB3 . 6576 1
40 . 1 1 7 7 LYS HG2 H 1 1.20 0.017 . 1 . . . . 7 LYS HG2 . 6576 1
41 . 1 1 7 7 LYS HG3 H 1 1.20 0.017 . 1 . . . . 7 LYS HG3 . 6576 1
42 . 1 1 7 7 LYS HD2 H 1 1.35 0.017 . 2 . . . . 7 LYS HD2 . 6576 1
43 . 1 1 7 7 LYS HD3 H 1 1.15 0.017 . 2 . . . . 7 LYS HD3 . 6576 1
44 . 1 1 7 7 LYS HE2 H 1 2.37 0.017 . 2 . . . . 7 LYS HE2 . 6576 1
45 . 1 1 7 7 LYS HE3 H 1 2.21 0.017 . 2 . . . . 7 LYS HE3 . 6576 1
46 . 1 1 8 8 GLY HA2 H 1 4.34 0.017 . 2 . . . . 8 GLY HA1 . 6576 1
47 . 1 1 8 8 GLY HA3 H 1 3.86 0.017 . 2 . . . . 8 GLY HA2 . 6576 1
48 . 1 1 9 9 GLY HA2 H 1 4.99 0.017 . 2 . . . . 9 GLY HA1 . 6576 1
49 . 1 1 9 9 GLY HA3 H 1 3.58 0.017 . 2 . . . . 9 GLY HA2 . 6576 1
50 . 1 1 10 10 HIS HA H 1 4.68 0.017 . 1 . . . . 10 HIS HA . 6576 1
51 . 1 1 10 10 HIS HB2 H 1 2.71 0.017 . 2 . . . . 10 HIS HB2 . 6576 1
52 . 1 1 10 10 HIS HB3 H 1 2.70 0.017 . 2 . . . . 10 HIS HB3 . 6576 1
53 . 1 1 10 10 HIS HD2 H 1 6.39 0.017 . 1 . . . . 10 HIS HD2 . 6576 1
54 . 1 1 10 10 HIS HE1 H 1 7.46 0.017 . 1 . . . . 10 HIS HE1 . 6576 1
55 . 1 1 11 11 CYS HA H 1 5.73 0.017 . 1 . . . . 11 CYS HA . 6576 1
56 . 1 1 11 11 CYS HB2 H 1 3.13 0.017 . 2 . . . . 11 CYS HB2 . 6576 1
57 . 1 1 11 11 CYS HB3 H 1 2.88 0.017 . 2 . . . . 11 CYS HB3 . 6576 1
58 . 1 1 12 12 PHE HA H 1 4.95 0.017 . 1 . . . . 12 PHE HA . 6576 1
59 . 1 1 12 12 PHE HB2 H 1 2.95 0.017 . 2 . . . . 12 PHE HB2 . 6576 1
60 . 1 1 12 12 PHE HB3 H 1 2.39 0.017 . 2 . . . . 12 PHE HB3 . 6576 1
61 . 1 1 12 12 PHE HD1 H 1 7.34 0.017 . 1 . . . . 12 PHE HD1 . 6576 1
62 . 1 1 12 12 PHE HD2 H 1 7.34 0.017 . 1 . . . . 12 PHE HD2 . 6576 1
63 . 1 1 12 12 PHE HE1 H 1 7.38 0.017 . 1 . . . . 12 PHE HE1 . 6576 1
64 . 1 1 12 12 PHE HE2 H 1 7.38 0.017 . 1 . . . . 12 PHE HE2 . 6576 1
65 . 1 1 12 12 PHE HZ H 1 7.32 0.017 . 1 . . . . 12 PHE HZ . 6576 1
66 . 1 1 13 13 PRO HA H 1 3.13 0.017 . 1 . . . . 13 PRO HA . 6576 1
67 . 1 1 13 13 PRO HB2 H 1 1.73 0.017 . 2 . . . . 13 PRO HB2 . 6576 1
68 . 1 1 13 13 PRO HB3 H 1 1.54 0.017 . 2 . . . . 13 PRO HB3 . 6576 1
69 . 1 1 13 13 PRO HG2 H 1 1.08 0.017 . 1 . . . . 13 PRO HG2 . 6576 1
70 . 1 1 13 13 PRO HG3 H 1 1.08 0.017 . 1 . . . . 13 PRO HG3 . 6576 1
71 . 1 1 13 13 PRO HD2 H 1 3.40 0.017 . 2 . . . . 13 PRO HD2 . 6576 1
72 . 1 1 13 13 PRO HD3 H 1 3.21 0.017 . 2 . . . . 13 PRO HD3 . 6576 1
73 . 1 1 14 14 LYS HA H 1 3.58 0.017 . 1 . . . . 14 LYS HA . 6576 1
74 . 1 1 14 14 LYS HB2 H 1 1.67 0.017 . 2 . . . . 14 LYS HB2 . 6576 1
75 . 1 1 14 14 LYS HB3 H 1 1.37 0.017 . 2 . . . . 14 LYS HB3 . 6576 1
76 . 1 1 14 14 LYS HG2 H 1 1.24 0.017 . 2 . . . . 14 LYS HG2 . 6576 1
77 . 1 1 14 14 LYS HG3 H 1 1.07 0.017 . 2 . . . . 14 LYS HG3 . 6576 1
78 . 1 1 14 14 LYS HE2 H 1 2.83 0.017 . 1 . . . . 14 LYS HE2 . 6576 1
79 . 1 1 14 14 LYS HE3 H 1 2.83 0.017 . 1 . . . . 14 LYS HE3 . 6576 1
80 . 1 1 15 15 GLU HA H 1 3.89 0.017 . 1 . . . . 15 GLU HA . 6576 1
81 . 1 1 15 15 GLU HB2 H 1 1.90 0.017 . 2 . . . . 15 GLU HB2 . 6576 1
82 . 1 1 15 15 GLU HB3 H 1 1.82 0.017 . 2 . . . . 15 GLU HB3 . 6576 1
83 . 1 1 15 15 GLU HG2 H 1 2.27 0.017 . 2 . . . . 15 GLU HG2 . 6576 1
84 . 1 1 15 15 GLU HG3 H 1 2.10 0.017 . 2 . . . . 15 GLU HG3 . 6576 1
85 . 1 1 16 16 LYS HA H 1 3.86 0.017 . 1 . . . . 16 LYS HA . 6576 1
86 . 1 1 16 16 LYS HB2 H 1 1.64 0.017 . 1 . . . . 16 LYS HB2 . 6576 1
87 . 1 1 16 16 LYS HB3 H 1 1.64 0.017 . 1 . . . . 16 LYS HB3 . 6576 1
88 . 1 1 16 16 LYS HG2 H 1 0.81 0.017 . 1 . . . . 16 LYS HG2 . 6576 1
89 . 1 1 16 16 LYS HG3 H 1 0.81 0.017 . 1 . . . . 16 LYS HG3 . 6576 1
90 . 1 1 16 16 LYS HD2 H 1 1.31 0.017 . 2 . . . . 16 LYS HD2 . 6576 1
91 . 1 1 16 16 LYS HD3 H 1 1.04 0.017 . 2 . . . . 16 LYS HD3 . 6576 1
92 . 1 1 16 16 LYS HE2 H 1 2.43 0.017 . 2 . . . . 16 LYS HE2 . 6576 1
93 . 1 1 16 16 LYS HE3 H 1 2.08 0.017 . 2 . . . . 16 LYS HE3 . 6576 1
94 . 1 1 17 17 ILE HA H 1 3.92 0.017 . 1 . . . . 17 ILE HA . 6576 1
95 . 1 1 17 17 ILE HB H 1 1.70 0.017 . 1 . . . . 17 ILE HB . 6576 1
96 . 1 1 17 17 ILE HG12 H 1 1.48 0.017 . 2 . . . . 17 ILE HG12 . 6576 1
97 . 1 1 17 17 ILE HG13 H 1 1.08 0.017 . 2 . . . . 17 ILE HG13 . 6576 1
98 . 1 1 17 17 ILE HG21 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1
99 . 1 1 17 17 ILE HG22 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1
100 . 1 1 17 17 ILE HG23 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 1
101 . 1 1 17 17 ILE HD11 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1
102 . 1 1 17 17 ILE HD12 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1
103 . 1 1 17 17 ILE HD13 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 1
104 . 1 1 18 18 CYS HA H 1 4.39 0.017 . 1 . . . . 18 CYS HA . 6576 1
105 . 1 1 18 18 CYS HB2 H 1 2.82 0.017 . 1 . . . . 18 CYS HB2 . 6576 1
106 . 1 1 18 18 CYS HB3 H 1 2.82 0.017 . 1 . . . . 18 CYS HB3 . 6576 1
107 . 1 1 19 19 LEU HA H 1 4.34 0.017 . 1 . . . . 19 LEU HA . 6576 1
108 . 1 1 19 19 LEU HB2 H 1 1.47 0.017 . 2 . . . . 19 LEU HB2 . 6576 1
109 . 1 1 19 19 LEU HB3 H 1 1.29 0.017 . 2 . . . . 19 LEU HB3 . 6576 1
110 . 1 1 19 19 LEU HG H 1 1.29 0.017 . 1 . . . . 19 LEU HG . 6576 1
111 . 1 1 19 19 LEU HD11 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1
112 . 1 1 19 19 LEU HD12 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1
113 . 1 1 19 19 LEU HD13 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 1
114 . 1 1 20 20 PRO HA H 1 4.83 0.017 . 1 . . . . 20 PRO HA . 6576 1
115 . 1 1 20 20 PRO HB2 H 1 2.51 0.017 . 2 . . . . 20 PRO HB2 . 6576 1
116 . 1 1 20 20 PRO HB3 H 1 2.31 0.017 . 2 . . . . 20 PRO HB3 . 6576 1
117 . 1 1 20 20 PRO HG2 H 1 1.92 0.017 . 2 . . . . 20 PRO HG2 . 6576 1
118 . 1 1 20 20 PRO HG3 H 1 1.76 0.017 . 2 . . . . 20 PRO HG3 . 6576 1
119 . 1 1 20 20 PRO HD2 H 1 3.53 0.017 . 2 . . . . 20 PRO HD2 . 6576 1
120 . 1 1 20 20 PRO HD3 H 1 3.39 0.017 . 2 . . . . 20 PRO HD3 . 6576 1
121 . 1 1 21 21 PRO HA H 1 4.43 0.017 . 1 . . . . 21 PRO HA . 6576 1
122 . 1 1 21 21 PRO HB2 H 1 2.50 0.017 . 2 . . . . 21 PRO HB2 . 6576 1
123 . 1 1 21 21 PRO HB3 H 1 1.98 0.017 . 2 . . . . 21 PRO HB3 . 6576 1
124 . 1 1 21 21 PRO HG2 H 1 2.20 0.017 . 2 . . . . 21 PRO HG2 . 6576 1
125 . 1 1 21 21 PRO HG3 H 1 2.02 0.017 . 2 . . . . 21 PRO HG3 . 6576 1
126 . 1 1 21 21 PRO HD2 H 1 3.86 0.017 . 2 . . . . 21 PRO HD2 . 6576 1
127 . 1 1 21 21 PRO HD3 H 1 3.82 0.017 . 2 . . . . 21 PRO HD3 . 6576 1
128 . 1 1 22 22 SER HA H 1 4.25 0.017 . 1 . . . . 22 SER HA . 6576 1
129 . 1 1 22 22 SER HB2 H 1 4.05 0.017 . 2 . . . . 22 SER HB2 . 6576 1
130 . 1 1 22 22 SER HB3 H 1 3.91 0.017 . 2 . . . . 22 SER HB3 . 6576 1
131 . 1 1 23 23 SER HA H 1 4.05 0.017 . 1 . . . . 23 SER HA . 6576 1
132 . 1 1 23 23 SER HB2 H 1 3.80 0.017 . 2 . . . . 23 SER HB2 . 6576 1
133 . 1 1 23 23 SER HB3 H 1 3.77 0.017 . 2 . . . . 23 SER HB3 . 6576 1
134 . 1 1 24 24 ASP HA H 1 4.91 0.017 . 1 . . . . 24 ASP HA . 6576 1
135 . 1 1 24 24 ASP HB2 H 1 3.24 0.017 . 2 . . . . 24 ASP HB2 . 6576 1
136 . 1 1 24 24 ASP HB3 H 1 2.21 0.017 . 2 . . . . 24 ASP HB3 . 6576 1
137 . 1 1 25 25 PHE HA H 1 5.03 0.017 . 1 . . . . 25 PHE HA . 6576 1
138 . 1 1 25 25 PHE HB2 H 1 3.58 0.017 . 2 . . . . 25 PHE HB2 . 6576 1
139 . 1 1 25 25 PHE HB3 H 1 2.64 0.017 . 2 . . . . 25 PHE HB3 . 6576 1
140 . 1 1 25 25 PHE HD1 H 1 7.07 0.017 . 1 . . . . 25 PHE HD1 . 6576 1
141 . 1 1 25 25 PHE HD2 H 1 7.07 0.017 . 1 . . . . 25 PHE HD2 . 6576 1
142 . 1 1 25 25 PHE HE1 H 1 7.20 0.017 . 1 . . . . 25 PHE HE1 . 6576 1
143 . 1 1 25 25 PHE HE2 H 1 7.20 0.017 . 1 . . . . 25 PHE HE2 . 6576 1
144 . 1 1 26 26 GLY HA2 H 1 4.33 0.017 . 2 . . . . 26 GLY HA1 . 6576 1
145 . 1 1 26 26 GLY HA3 H 1 3.94 0.017 . 2 . . . . 26 GLY HA2 . 6576 1
146 . 1 1 27 27 LYS HA H 1 3.95 0.017 . 1 . . . . 27 LYS HA . 6576 1
147 . 1 1 27 27 LYS HB2 H 1 1.91 0.017 . 2 . . . . 27 LYS HB2 . 6576 1
148 . 1 1 27 27 LYS HB3 H 1 1.84 0.017 . 2 . . . . 27 LYS HB3 . 6576 1
149 . 1 1 27 27 LYS HG2 H 1 1.62 0.017 . 2 . . . . 27 LYS HG2 . 6576 1
150 . 1 1 27 27 LYS HG3 H 1 1.39 0.017 . 2 . . . . 27 LYS HG3 . 6576 1
151 . 1 1 27 27 LYS HD2 H 1 1.80 0.017 . 2 . . . . 27 LYS HD2 . 6576 1
152 . 1 1 27 27 LYS HD3 H 1 1.70 0.017 . 2 . . . . 27 LYS HD3 . 6576 1
153 . 1 1 27 27 LYS HE2 H 1 3.07 0.017 . 2 . . . . 27 LYS HE2 . 6576 1
154 . 1 1 27 27 LYS HE3 H 1 3.00 0.017 . 2 . . . . 27 LYS HE3 . 6576 1
155 . 1 1 28 28 MET HA H 1 3.92 0.017 . 1 . . . . 28 MET HA . 6576 1
156 . 1 1 28 28 MET HB2 H 1 2.23 0.017 . 2 . . . . 28 MET HB2 . 6576 1
157 . 1 1 28 28 MET HB3 H 1 1.88 0.017 . 2 . . . . 28 MET HB3 . 6576 1
158 . 1 1 28 28 MET HG2 H 1 2.60 0.017 . 2 . . . . 28 MET HG2 . 6576 1
159 . 1 1 28 28 MET HG3 H 1 2.44 0.017 . 2 . . . . 28 MET HG3 . 6576 1
160 . 1 1 28 28 MET HE1 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1
161 . 1 1 28 28 MET HE2 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1
162 . 1 1 28 28 MET HE3 H 1 1.84 0.017 . 1 . . . . 28 MET HE . 6576 1
163 . 1 1 29 29 ASP HA H 1 4.71 0.017 . 1 . . . . 29 ASP HA . 6576 1
164 . 1 1 29 29 ASP HB2 H 1 3.02 0.017 . 2 . . . . 29 ASP HB2 . 6576 1
165 . 1 1 29 29 ASP HB3 H 1 2.42 0.017 . 2 . . . . 29 ASP HB3 . 6576 1
166 . 1 1 30 30 CYS HA H 1 4.58 0.017 . 1 . . . . 30 CYS HA . 6576 1
167 . 1 1 30 30 CYS HB2 H 1 3.17 0.017 . 2 . . . . 30 CYS HB2 . 6576 1
168 . 1 1 30 30 CYS HB3 H 1 3.10 0.017 . 2 . . . . 30 CYS HB3 . 6576 1
169 . 1 1 31 31 ARG HA H 1 4.14 0.017 . 1 . . . . 31 ARG HA . 6576 1
170 . 1 1 31 31 ARG HB2 H 1 1.69 0.017 . 2 . . . . 31 ARG HB2 . 6576 1
171 . 1 1 31 31 ARG HB3 H 1 1.52 0.017 . 2 . . . . 31 ARG HB3 . 6576 1
172 . 1 1 31 31 ARG HG2 H 1 1.39 0.017 . 2 . . . . 31 ARG HG2 . 6576 1
173 . 1 1 31 31 ARG HG3 H 1 1.35 0.017 . 2 . . . . 31 ARG HG3 . 6576 1
174 . 1 1 31 31 ARG HD2 H 1 2.61 0.017 . 2 . . . . 31 ARG HD2 . 6576 1
175 . 1 1 31 31 ARG HD3 H 1 2.55 0.017 . 2 . . . . 31 ARG HD3 . 6576 1
176 . 1 1 32 32 TRP HA H 1 4.46 0.017 . 1 . . . . 32 TRP HA . 6576 1
177 . 1 1 32 32 TRP HB2 H 1 3.34 0.017 . 2 . . . . 32 TRP HB2 . 6576 1
178 . 1 1 32 32 TRP HB3 H 1 3.20 0.017 . 2 . . . . 32 TRP HB3 . 6576 1
179 . 1 1 32 32 TRP HD1 H 1 7.32 0.017 . 1 . . . . 32 TRP HD1 . 6576 1
180 . 1 1 32 32 TRP HE1 H 1 10.24 0.017 . 1 . . . . 32 TRP HE1 . 6576 1
181 . 1 1 32 32 TRP HE3 H 1 7.64 0.017 . 1 . . . . 32 TRP HE3 . 6576 1
182 . 1 1 32 32 TRP HZ2 H 1 7.50 0.017 . 1 . . . . 32 TRP HZ2 . 6576 1
183 . 1 1 32 32 TRP HZ3 H 1 7.17 0.017 . 1 . . . . 32 TRP HZ3 . 6576 1
184 . 1 1 32 32 TRP HH2 H 1 7.25 0.017 . 1 . . . . 32 TRP HH2 . 6576 1
185 . 1 1 33 33 ARG HA H 1 3.38 0.017 . 1 . . . . 33 ARG HA . 6576 1
186 . 1 1 33 33 ARG HB2 H 1 1.93 0.017 . 2 . . . . 33 ARG HB2 . 6576 1
187 . 1 1 33 33 ARG HB3 H 1 1.82 0.017 . 2 . . . . 33 ARG HB3 . 6576 1
188 . 1 1 33 33 ARG HG2 H 1 0.89 0.017 . 2 . . . . 33 ARG HG2 . 6576 1
189 . 1 1 33 33 ARG HG3 H 1 0.56 0.017 . 2 . . . . 33 ARG HG3 . 6576 1
190 . 1 1 33 33 ARG HD2 H 1 2.77 0.017 . 1 . . . . 33 ARG HD2 . 6576 1
191 . 1 1 33 33 ARG HD3 H 1 2.77 0.017 . 1 . . . . 33 ARG HD3 . 6576 1
192 . 1 1 34 34 TRP HA H 1 5.09 0.017 . 1 . . . . 34 TRP HA . 6576 1
193 . 1 1 34 34 TRP HB2 H 1 3.43 0.017 . 2 . . . . 34 TRP HB2 . 6576 1
194 . 1 1 34 34 TRP HB3 H 1 3.07 0.017 . 2 . . . . 34 TRP HB3 . 6576 1
195 . 1 1 34 34 TRP HD1 H 1 7.34 0.017 . 1 . . . . 34 TRP HD1 . 6576 1
196 . 1 1 34 34 TRP HE1 H 1 10.25 0.017 . 1 . . . . 34 TRP HE1 . 6576 1
197 . 1 1 34 34 TRP HE3 H 1 7.04 0.017 . 1 . . . . 34 TRP HE3 . 6576 1
198 . 1 1 34 34 TRP HZ2 H 1 7.47 0.017 . 1 . . . . 34 TRP HZ2 . 6576 1
199 . 1 1 34 34 TRP HZ3 H 1 7.18 0.017 . 1 . . . . 34 TRP HZ3 . 6576 1
200 . 1 1 34 34 TRP HH2 H 1 7.20 0.017 . 1 . . . . 34 TRP HH2 . 6576 1
201 . 1 1 35 35 LYS HA H 1 4.82 0.017 . 1 . . . . 35 LYS HA . 6576 1
202 . 1 1 35 35 LYS HB2 H 1 1.60 0.017 . 2 . . . . 35 LYS HB2 . 6576 1
203 . 1 1 35 35 LYS HB3 H 1 1.55 0.017 . 2 . . . . 35 LYS HB3 . 6576 1
204 . 1 1 35 35 LYS HG2 H 1 1.19 0.017 . 1 . . . . 35 LYS HG2 . 6576 1
205 . 1 1 35 35 LYS HG3 H 1 1.19 0.017 . 1 . . . . 35 LYS HG3 . 6576 1
206 . 1 1 35 35 LYS HD2 H 1 1.85 0.017 . 2 . . . . 35 LYS HD2 . 6576 1
207 . 1 1 35 35 LYS HD3 H 1 1.42 0.017 . 2 . . . . 35 LYS HD3 . 6576 1
208 . 1 1 35 35 LYS HE2 H 1 2.95 0.017 . 2 . . . . 35 LYS HE2 . 6576 1
209 . 1 1 35 35 LYS HE3 H 1 2.76 0.017 . 2 . . . . 35 LYS HE3 . 6576 1
210 . 1 1 36 36 CYS HA H 1 5.43 0.017 . 1 . . . . 36 CYS HA . 6576 1
211 . 1 1 36 36 CYS HB2 H 1 3.42 0.017 . 2 . . . . 36 CYS HB2 . 6576 1
212 . 1 1 36 36 CYS HB3 H 1 2.97 0.017 . 2 . . . . 36 CYS HB3 . 6576 1
213 . 1 1 37 37 CYS HA H 1 5.40 0.017 . 1 . . . . 37 CYS HA . 6576 1
214 . 1 1 37 37 CYS HB2 H 1 3.11 0.017 . 2 . . . . 37 CYS HB2 . 6576 1
215 . 1 1 37 37 CYS HB3 H 1 3.03 0.017 . 2 . . . . 37 CYS HB3 . 6576 1
216 . 1 1 38 38 LYS HA H 1 3.96 0.017 . 1 . . . . 38 LYS HA . 6576 1
217 . 1 1 38 38 LYS HB2 H 1 1.64 0.017 . 1 . . . . 38 LYS HB2 . 6576 1
218 . 1 1 38 38 LYS HB3 H 1 1.64 0.017 . 1 . . . . 38 LYS HB3 . 6576 1
219 . 1 1 38 38 LYS HG2 H 1 1.55 0.017 . 1 . . . . 38 LYS HG2 . 6576 1
220 . 1 1 38 38 LYS HG3 H 1 1.55 0.017 . 1 . . . . 38 LYS HG3 . 6576 1
221 . 1 1 38 38 LYS HD2 H 1 3.10 0.017 . 1 . . . . 38 LYS HD2 . 6576 1
222 . 1 1 38 38 LYS HD3 H 1 3.10 0.017 . 1 . . . . 38 LYS HD3 . 6576 1
223 . 1 1 38 38 LYS HE2 H 1 3.11 0.017 . 1 . . . . 38 LYS HE2 . 6576 1
224 . 1 1 38 38 LYS HE3 H 1 3.11 0.017 . 1 . . . . 38 LYS HE3 . 6576 1
225 . 1 1 39 39 LYS HA H 1 4.16 0.017 . 1 . . . . 39 LYS HA . 6576 1
226 . 1 1 39 39 LYS HB2 H 1 1.65 0.017 . 2 . . . . 39 LYS HB2 . 6576 1
227 . 1 1 39 39 LYS HB3 H 1 1.60 0.017 . 2 . . . . 39 LYS HB3 . 6576 1
228 . 1 1 39 39 LYS HG2 H 1 1.29 0.017 . 1 . . . . 39 LYS HG2 . 6576 1
229 . 1 1 39 39 LYS HG3 H 1 1.29 0.017 . 1 . . . . 39 LYS HG3 . 6576 1
230 . 1 1 39 39 LYS HD3 H 1 1.41 0.017 . 2 . . . . 39 LYS HD3 . 6576 1
231 . 1 1 40 40 GLY HA2 H 1 4.05 0.017 . 1 . . . . 40 GLY HA1 . 6576 1
232 . 1 1 40 40 GLY HA3 H 1 4.05 0.017 . 1 . . . . 40 GLY HA2 . 6576 1
233 . 1 1 41 41 SER HA H 1 4.47 0.017 . 1 . . . . 41 SER HA . 6576 1
234 . 1 1 41 41 SER HB2 H 1 3.89 0.017 . 2 . . . . 41 SER HB2 . 6576 1
235 . 1 1 41 41 SER HB3 H 1 3.77 0.017 . 2 . . . . 41 SER HB3 . 6576 1
236 . 1 1 42 42 GLY HA2 H 1 3.73 0.017 . 2 . . . . 42 GLY HA1 . 6576 1
237 . 1 1 42 42 GLY HA3 H 1 3.53 0.017 . 2 . . . . 42 GLY HA2 . 6576 1
stop_
save_
###################################
# 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_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list
_Assigned_chem_shift_list.Entry_ID 6576
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $room_temperature
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.017
_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 [1H,_1H]-DQF-COSY 2 $sample isotropic 6576 2
2 [1H,_1H]-TOCSY 2 $sample isotropic 6576 2
3 [1H,_1H]-NOESY 2 $sample isotropic 6576 2
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 TYR HA H 1 3.35 0.017 . 1 . . . . 1 TYR HA . 6576 2
2 . 1 1 1 1 TYR HB2 H 1 2.68 0.017 . 2 . . . . 1 TYR HB2 . 6576 2
3 . 1 1 1 1 TYR HB3 H 1 2.57 0.017 . 2 . . . . 1 TYR HB3 . 6576 2
4 . 1 1 1 1 TYR HD1 H 1 6.39 0.017 . 1 . . . . 1 TYR HD1 . 6576 2
5 . 1 1 1 1 TYR HD2 H 1 6.39 0.017 . 1 . . . . 1 TYR HD2 . 6576 2
6 . 1 1 1 1 TYR HE1 H 1 6.65 0.017 . 1 . . . . 1 TYR HE1 . 6576 2
7 . 1 1 1 1 TYR HE2 H 1 6.65 0.017 . 1 . . . . 1 TYR HE2 . 6576 2
8 . 1 1 2 2 LYS HA H 1 3.56 0.017 . 1 . . . . 2 LYS HA . 6576 2
9 . 1 1 2 2 LYS HB2 H 1 1.60 0.017 . 1 . . . . 2 LYS HB2 . 6576 2
10 . 1 1 2 2 LYS HB3 H 1 1.60 0.017 . 1 . . . . 2 LYS HB3 . 6576 2
11 . 1 1 2 2 LYS HG2 H 1 1.08 0.017 . 1 . . . . 2 LYS HG2 . 6576 2
12 . 1 1 2 2 LYS HG3 H 1 1.08 0.017 . 1 . . . . 2 LYS HG3 . 6576 2
13 . 1 1 3 3 GLN HA H 1 4.01 0.017 . 1 . . . . 3 GLN HA . 6576 2
14 . 1 1 3 3 GLN HB2 H 1 1.84 0.017 . 1 . . . . 3 GLN HB2 . 6576 2
15 . 1 1 3 3 GLN HB3 H 1 1.84 0.017 . 1 . . . . 3 GLN HB3 . 6576 2
16 . 1 1 3 3 GLN HG2 H 1 2.37 0.017 . 2 . . . . 3 GLN HG2 . 6576 2
17 . 1 1 3 3 GLN HG3 H 1 2.24 0.017 . 2 . . . . 3 GLN HG3 . 6576 2
18 . 1 1 3 3 GLN HE21 H 1 7.45 0.017 . 2 . . . . 3 GLN HE21 . 6576 2
19 . 1 1 3 3 GLN HE22 H 1 6.82 0.017 . 2 . . . . 3 GLN HE22 . 6576 2
20 . 1 1 4 4 CYS H H 1 8.74 0.017 . 1 . . . . 4 CYS HN . 6576 2
21 . 1 1 4 4 CYS HA H 1 4.58 0.017 . 1 . . . . 4 CYS HA . 6576 2
22 . 1 1 4 4 CYS HB2 H 1 3.12 0.017 . 2 . . . . 4 CYS HB2 . 6576 2
23 . 1 1 4 4 CYS HB3 H 1 3.08 0.017 . 2 . . . . 4 CYS HB3 . 6576 2
24 . 1 1 5 5 HIS H H 1 9.27 0.017 . 1 . . . . 5 HIS HN . 6576 2
25 . 1 1 5 5 HIS HA H 1 4.93 0.017 . 1 . . . . 5 HIS HA . 6576 2
26 . 1 1 5 5 HIS HB2 H 1 3.26 0.017 . 2 . . . . 5 HIS HB2 . 6576 2
27 . 1 1 5 5 HIS HB3 H 1 3.23 0.017 . 2 . . . . 5 HIS HB3 . 6576 2
28 . 1 1 5 5 HIS HD2 H 1 6.95 0.017 . 1 . . . . 5 HIS HD2 . 6576 2
29 . 1 1 5 5 HIS HE1 H 1 7.59 0.017 . 1 . . . . 5 HIS HE1 . 6576 2
30 . 1 1 6 6 LYS H H 1 8.37 0.017 . 1 . . . . 6 LYS HN . 6576 2
31 . 1 1 6 6 LYS HA H 1 4.10 0.017 . 1 . . . . 6 LYS HA . 6576 2
32 . 1 1 6 6 LYS HB2 H 1 1.96 0.017 . 1 . . . . 6 LYS HB2 . 6576 2
33 . 1 1 6 6 LYS HB3 H 1 1.96 0.017 . 1 . . . . 6 LYS HB3 . 6576 2
34 . 1 1 6 6 LYS HG2 H 1 1.58 0.017 . 2 . . . . 6 LYS HG2 . 6576 2
35 . 1 1 6 6 LYS HG3 H 1 1.50 0.017 . 2 . . . . 6 LYS HG3 . 6576 2
36 . 1 1 6 6 LYS HD2 H 1 1.67 0.017 . 1 . . . . 6 LYS HD2 . 6576 2
37 . 1 1 6 6 LYS HD3 H 1 1.67 0.017 . 1 . . . . 6 LYS HD3 . 6576 2
38 . 1 1 6 6 LYS HE2 H 1 2.94 0.017 . 1 . . . . 6 LYS HE2 . 6576 2
39 . 1 1 6 6 LYS HE3 H 1 2.94 0.017 . 1 . . . . 6 LYS HE3 . 6576 2
40 . 1 1 7 7 LYS H H 1 7.42 0.017 . 1 . . . . 7 LYS HN . 6576 2
41 . 1 1 7 7 LYS HA H 1 4.18 0.017 . 1 . . . . 7 LYS HA . 6576 2
42 . 1 1 7 7 LYS HB2 H 1 1.73 0.017 . 2 . . . . 7 LYS HB2 . 6576 2
43 . 1 1 7 7 LYS HB3 H 1 1.64 0.017 . 2 . . . . 7 LYS HB3 . 6576 2
44 . 1 1 7 7 LYS HG2 H 1 1.20 0.017 . 1 . . . . 7 LYS HG2 . 6576 2
45 . 1 1 7 7 LYS HG3 H 1 1.20 0.017 . 1 . . . . 7 LYS HG3 . 6576 2
46 . 1 1 7 7 LYS HD2 H 1 1.35 0.017 . 2 . . . . 7 LYS HD2 . 6576 2
47 . 1 1 7 7 LYS HD3 H 1 1.15 0.017 . 2 . . . . 7 LYS HD3 . 6576 2
48 . 1 1 7 7 LYS HE2 H 1 2.37 0.017 . 2 . . . . 7 LYS HE2 . 6576 2
49 . 1 1 7 7 LYS HE3 H 1 2.21 0.017 . 2 . . . . 7 LYS HE3 . 6576 2
50 . 1 1 8 8 GLY H H 1 8.06 0.017 . 1 . . . . 8 GLY HN . 6576 2
51 . 1 1 8 8 GLY HA2 H 1 4.34 0.017 . 2 . . . . 8 GLY HA1 . 6576 2
52 . 1 1 8 8 GLY HA3 H 1 3.86 0.017 . 2 . . . . 8 GLY HA2 . 6576 2
53 . 1 1 9 9 GLY H H 1 8.27 0.017 . 1 . . . . 9 GLY HN . 6576 2
54 . 1 1 9 9 GLY HA2 H 1 4.99 0.017 . 2 . . . . 9 GLY HA1 . 6576 2
55 . 1 1 9 9 GLY HA3 H 1 3.58 0.017 . 2 . . . . 9 GLY HA2 . 6576 2
56 . 1 1 10 10 HIS H H 1 8.72 0.017 . 1 . . . . 10 HIS HN . 6576 2
57 . 1 1 10 10 HIS HA H 1 4.67 0.017 . 1 . . . . 10 HIS HA . 6576 2
58 . 1 1 10 10 HIS HB2 H 1 2.71 0.017 . 2 . . . . 10 HIS HB2 . 6576 2
59 . 1 1 10 10 HIS HB3 H 1 2.70 0.017 . 2 . . . . 10 HIS HB3 . 6576 2
60 . 1 1 10 10 HIS HD2 H 1 6.39 0.017 . 1 . . . . 10 HIS HD2 . 6576 2
61 . 1 1 10 10 HIS HE1 H 1 7.46 0.017 . 1 . . . . 10 HIS HE1 . 6576 2
62 . 1 1 11 11 CYS H H 1 8.60 0.017 . 1 . . . . 11 CYS HN . 6576 2
63 . 1 1 11 11 CYS HA H 1 5.71 0.017 . 1 . . . . 11 CYS HA . 6576 2
64 . 1 1 11 11 CYS HB2 H 1 3.13 0.017 . 2 . . . . 11 CYS HB2 . 6576 2
65 . 1 1 11 11 CYS HB3 H 1 2.89 0.017 . 2 . . . . 11 CYS HB3 . 6576 2
66 . 1 1 12 12 PHE H H 1 10.44 0.017 . 1 . . . . 12 PHE HN . 6576 2
67 . 1 1 12 12 PHE HA H 1 4.95 0.017 . 1 . . . . 12 PHE HA . 6576 2
68 . 1 1 12 12 PHE HB2 H 1 2.94 0.017 . 2 . . . . 12 PHE HB2 . 6576 2
69 . 1 1 12 12 PHE HB3 H 1 2.39 0.017 . 2 . . . . 12 PHE HB3 . 6576 2
70 . 1 1 12 12 PHE HD1 H 1 7.34 0.017 . 1 . . . . 12 PHE HD1 . 6576 2
71 . 1 1 12 12 PHE HD2 H 1 7.34 0.017 . 1 . . . . 12 PHE HD2 . 6576 2
72 . 1 1 12 12 PHE HE1 H 1 7.38 0.017 . 1 . . . . 12 PHE HE1 . 6576 2
73 . 1 1 12 12 PHE HE2 H 1 7.38 0.017 . 1 . . . . 12 PHE HE2 . 6576 2
74 . 1 1 12 12 PHE HZ H 1 7.32 0.017 . 1 . . . . 12 PHE HZ . 6576 2
75 . 1 1 13 13 PRO HA H 1 3.13 0.017 . 1 . . . . 13 PRO HA . 6576 2
76 . 1 1 13 13 PRO HB2 H 1 1.73 0.017 . 2 . . . . 13 PRO HB2 . 6576 2
77 . 1 1 13 13 PRO HB3 H 1 1.54 0.017 . 2 . . . . 13 PRO HB3 . 6576 2
78 . 1 1 13 13 PRO HG2 H 1 1.08 0.017 . 1 . . . . 13 PRO HG2 . 6576 2
79 . 1 1 13 13 PRO HG3 H 1 1.08 0.017 . 1 . . . . 13 PRO HG3 . 6576 2
80 . 1 1 13 13 PRO HD2 H 1 3.40 0.017 . 2 . . . . 13 PRO HD2 . 6576 2
81 . 1 1 13 13 PRO HD3 H 1 3.21 0.017 . 2 . . . . 13 PRO HD3 . 6576 2
82 . 1 1 14 14 LYS H H 1 7.98 0.017 . 1 . . . . 14 LYS HN . 6576 2
83 . 1 1 14 14 LYS HA H 1 3.58 0.017 . 1 . . . . 14 LYS HA . 6576 2
84 . 1 1 14 14 LYS HB2 H 1 1.67 0.017 . 2 . . . . 14 LYS HB2 . 6576 2
85 . 1 1 14 14 LYS HB3 H 1 1.37 0.017 . 2 . . . . 14 LYS HB3 . 6576 2
86 . 1 1 14 14 LYS HG2 H 1 1.24 0.017 . 2 . . . . 14 LYS HG2 . 6576 2
87 . 1 1 14 14 LYS HG3 H 1 1.07 0.017 . 2 . . . . 14 LYS HG3 . 6576 2
88 . 1 1 14 14 LYS HE2 H 1 2.83 0.017 . 1 . . . . 14 LYS HE2 . 6576 2
89 . 1 1 14 14 LYS HE3 H 1 2.83 0.017 . 1 . . . . 14 LYS HE3 . 6576 2
90 . 1 1 15 15 GLU H H 1 8.65 0.017 . 1 . . . . 15 GLU HN . 6576 2
91 . 1 1 15 15 GLU HA H 1 3.90 0.017 . 1 . . . . 15 GLU HA . 6576 2
92 . 1 1 15 15 GLU HB2 H 1 1.90 0.017 . 2 . . . . 15 GLU HB2 . 6576 2
93 . 1 1 15 15 GLU HB3 H 1 1.82 0.017 . 2 . . . . 15 GLU HB3 . 6576 2
94 . 1 1 15 15 GLU HG2 H 1 2.27 0.017 . 2 . . . . 15 GLU HG2 . 6576 2
95 . 1 1 15 15 GLU HG3 H 1 2.10 0.017 . 2 . . . . 15 GLU HG3 . 6576 2
96 . 1 1 16 16 LYS H H 1 7.69 0.017 . 1 . . . . 16 LYS HN . 6576 2
97 . 1 1 16 16 LYS HA H 1 3.86 0.017 . 1 . . . . 16 LYS HA . 6576 2
98 . 1 1 16 16 LYS HB2 H 1 1.64 0.017 . 1 . . . . 16 LYS HB2 . 6576 2
99 . 1 1 16 16 LYS HB3 H 1 1.64 0.017 . 1 . . . . 16 LYS HB3 . 6576 2
100 . 1 1 16 16 LYS HG2 H 1 0.81 0.017 . 1 . . . . 16 LYS HG2 . 6576 2
101 . 1 1 16 16 LYS HG3 H 1 0.81 0.017 . 1 . . . . 16 LYS HG3 . 6576 2
102 . 1 1 16 16 LYS HD2 H 1 1.31 0.017 . 2 . . . . 16 LYS HD2 . 6576 2
103 . 1 1 16 16 LYS HD3 H 1 1.03 0.017 . 2 . . . . 16 LYS HD3 . 6576 2
104 . 1 1 16 16 LYS HE2 H 1 2.43 0.017 . 2 . . . . 16 LYS HE2 . 6576 2
105 . 1 1 16 16 LYS HE3 H 1 2.08 0.017 . 2 . . . . 16 LYS HE3 . 6576 2
106 . 1 1 17 17 ILE H H 1 8.39 0.017 . 1 . . . . 17 ILE HN . 6576 2
107 . 1 1 17 17 ILE HA H 1 3.92 0.017 . 1 . . . . 17 ILE HA . 6576 2
108 . 1 1 17 17 ILE HB H 1 1.70 0.017 . 1 . . . . 17 ILE HB . 6576 2
109 . 1 1 17 17 ILE HG12 H 1 1.48 0.017 . 2 . . . . 17 ILE HG12 . 6576 2
110 . 1 1 17 17 ILE HG13 H 1 1.08 0.017 . 2 . . . . 17 ILE HG13 . 6576 2
111 . 1 1 17 17 ILE HG21 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2
112 . 1 1 17 17 ILE HG22 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2
113 . 1 1 17 17 ILE HG23 H 1 0.71 0.017 . 1 . . . . 17 ILE HG2 . 6576 2
114 . 1 1 17 17 ILE HD11 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2
115 . 1 1 17 17 ILE HD12 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2
116 . 1 1 17 17 ILE HD13 H 1 0.76 0.017 . 1 . . . . 17 ILE HD1 . 6576 2
117 . 1 1 18 18 CYS H H 1 8.82 0.017 . 1 . . . . 18 CYS HN . 6576 2
118 . 1 1 18 18 CYS HA H 1 4.39 0.017 . 1 . . . . 18 CYS HA . 6576 2
119 . 1 1 18 18 CYS HB2 H 1 2.82 0.017 . 1 . . . . 18 CYS HB2 . 6576 2
120 . 1 1 18 18 CYS HB3 H 1 2.82 0.017 . 1 . . . . 18 CYS HB3 . 6576 2
121 . 1 1 19 19 LEU H H 1 8.11 0.017 . 1 . . . . 19 LEU HN . 6576 2
122 . 1 1 19 19 LEU HA H 1 4.34 0.017 . 1 . . . . 19 LEU HA . 6576 2
123 . 1 1 19 19 LEU HB2 H 1 1.47 0.017 . 2 . . . . 19 LEU HB2 . 6576 2
124 . 1 1 19 19 LEU HB3 H 1 1.29 0.017 . 2 . . . . 19 LEU HB3 . 6576 2
125 . 1 1 19 19 LEU HG H 1 1.29 0.017 . 1 . . . . 19 LEU HG . 6576 2
126 . 1 1 19 19 LEU HD11 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2
127 . 1 1 19 19 LEU HD12 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2
128 . 1 1 19 19 LEU HD13 H 1 0.78 0.017 . 2 . . . . 19 LEU HD1 . 6576 2
129 . 1 1 20 20 PRO HA H 1 4.83 0.017 . 1 . . . . 20 PRO HA . 6576 2
130 . 1 1 20 20 PRO HB2 H 1 2.51 0.017 . 2 . . . . 20 PRO HB2 . 6576 2
131 . 1 1 20 20 PRO HB3 H 1 2.31 0.017 . 2 . . . . 20 PRO HB3 . 6576 2
132 . 1 1 20 20 PRO HG2 H 1 1.92 0.017 . 2 . . . . 20 PRO HG2 . 6576 2
133 . 1 1 20 20 PRO HG3 H 1 1.76 0.017 . 2 . . . . 20 PRO HG3 . 6576 2
134 . 1 1 20 20 PRO HD2 H 1 3.53 0.017 . 2 . . . . 20 PRO HD2 . 6576 2
135 . 1 1 20 20 PRO HD3 H 1 3.39 0.017 . 2 . . . . 20 PRO HD3 . 6576 2
136 . 1 1 21 21 PRO HA H 1 4.43 0.017 . 1 . . . . 21 PRO HA . 6576 2
137 . 1 1 21 21 PRO HB2 H 1 2.50 0.017 . 2 . . . . 21 PRO HB2 . 6576 2
138 . 1 1 21 21 PRO HB3 H 1 1.98 0.017 . 2 . . . . 21 PRO HB3 . 6576 2
139 . 1 1 21 21 PRO HG2 H 1 2.20 0.017 . 2 . . . . 21 PRO HG2 . 6576 2
140 . 1 1 21 21 PRO HG3 H 1 2.02 0.017 . 2 . . . . 21 PRO HG3 . 6576 2
141 . 1 1 21 21 PRO HD2 H 1 3.84 0.017 . 2 . . . . 21 PRO HD2 . 6576 2
142 . 1 1 21 21 PRO HD3 H 1 3.82 0.017 . 2 . . . . 21 PRO HD3 . 6576 2
143 . 1 1 22 22 SER H H 1 7.87 0.017 . 1 . . . . 22 SER HN . 6576 2
144 . 1 1 22 22 SER HA H 1 4.25 0.017 . 1 . . . . 22 SER HA . 6576 2
145 . 1 1 22 22 SER HB2 H 1 4.05 0.017 . 2 . . . . 22 SER HB2 . 6576 2
146 . 1 1 22 22 SER HB3 H 1 3.91 0.017 . 2 . . . . 22 SER HB3 . 6576 2
147 . 1 1 23 23 SER H H 1 8.56 0.017 . 1 . . . . 23 SER HN . 6576 2
148 . 1 1 23 23 SER HA H 1 4.05 0.017 . 1 . . . . 23 SER HA . 6576 2
149 . 1 1 23 23 SER HB2 H 1 3.80 0.017 . 2 . . . . 23 SER HB2 . 6576 2
150 . 1 1 23 23 SER HB3 H 1 3.77 0.017 . 2 . . . . 23 SER HB3 . 6576 2
151 . 1 1 24 24 ASP H H 1 7.35 0.017 . 1 . . . . 24 ASP HN . 6576 2
152 . 1 1 24 24 ASP HA H 1 4.91 0.017 . 1 . . . . 24 ASP HA . 6576 2
153 . 1 1 24 24 ASP HB2 H 1 3.24 0.017 . 2 . . . . 24 ASP HB2 . 6576 2
154 . 1 1 24 24 ASP HB3 H 1 2.21 0.017 . 2 . . . . 24 ASP HB3 . 6576 2
155 . 1 1 25 25 PHE H H 1 8.62 0.017 . 1 . . . . 25 PHE HN . 6576 2
156 . 1 1 25 25 PHE HA H 1 5.03 0.017 . 1 . . . . 25 PHE HA . 6576 2
157 . 1 1 25 25 PHE HB2 H 1 3.58 0.017 . 2 . . . . 25 PHE HB2 . 6576 2
158 . 1 1 25 25 PHE HB3 H 1 2.63 0.017 . 2 . . . . 25 PHE HB3 . 6576 2
159 . 1 1 25 25 PHE HD1 H 1 7.06 0.017 . 1 . . . . 25 PHE HD1 . 6576 2
160 . 1 1 25 25 PHE HD2 H 1 7.06 0.017 . 1 . . . . 25 PHE HD2 . 6576 2
161 . 1 1 25 25 PHE HE1 H 1 7.20 0.017 . 1 . . . . 25 PHE HE1 . 6576 2
162 . 1 1 25 25 PHE HE2 H 1 7.20 0.017 . 1 . . . . 25 PHE HE2 . 6576 2
163 . 1 1 26 26 GLY H H 1 8.74 0.017 . 1 . . . . 26 GLY HN . 6576 2
164 . 1 1 26 26 GLY HA2 H 1 4.33 0.017 . 2 . . . . 26 GLY HA1 . 6576 2
165 . 1 1 26 26 GLY HA3 H 1 3.94 0.017 . 2 . . . . 26 GLY HA2 . 6576 2
166 . 1 1 27 27 LYS H H 1 8.61 0.017 . 1 . . . . 27 LYS HN . 6576 2
167 . 1 1 27 27 LYS HA H 1 3.95 0.017 . 1 . . . . 27 LYS HA . 6576 2
168 . 1 1 27 27 LYS HB2 H 1 1.91 0.017 . 2 . . . . 27 LYS HB2 . 6576 2
169 . 1 1 27 27 LYS HB3 H 1 1.84 0.017 . 2 . . . . 27 LYS HB3 . 6576 2
170 . 1 1 27 27 LYS HG2 H 1 1.62 0.017 . 2 . . . . 27 LYS HG2 . 6576 2
171 . 1 1 27 27 LYS HG3 H 1 1.39 0.017 . 2 . . . . 27 LYS HG3 . 6576 2
172 . 1 1 27 27 LYS HD2 H 1 1.80 0.017 . 2 . . . . 27 LYS HD2 . 6576 2
173 . 1 1 27 27 LYS HD3 H 1 1.70 0.017 . 2 . . . . 27 LYS HD3 . 6576 2
174 . 1 1 27 27 LYS HE2 H 1 3.07 0.017 . 2 . . . . 27 LYS HE2 . 6576 2
175 . 1 1 27 27 LYS HE3 H 1 3.00 0.017 . 2 . . . . 27 LYS HE3 . 6576 2
176 . 1 1 28 28 MET H H 1 8.70 0.017 . 1 . . . . 28 MET HN . 6576 2
177 . 1 1 28 28 MET HA H 1 3.92 0.017 . 1 . . . . 28 MET HA . 6576 2
178 . 1 1 28 28 MET HB2 H 1 2.23 0.017 . 2 . . . . 28 MET HB2 . 6576 2
179 . 1 1 28 28 MET HB3 H 1 1.84 0.017 . 2 . . . . 28 MET HB3 . 6576 2
180 . 1 1 28 28 MET HG2 H 1 2.60 0.017 . 2 . . . . 28 MET HG2 . 6576 2
181 . 1 1 28 28 MET HG3 H 1 2.44 0.017 . 2 . . . . 28 MET HG3 . 6576 2
182 . 1 1 28 28 MET HE1 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2
183 . 1 1 28 28 MET HE2 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2
184 . 1 1 28 28 MET HE3 H 1 1.85 0.017 . 1 . . . . 28 MET HE . 6576 2
185 . 1 1 29 29 ASP H H 1 8.92 0.017 . 1 . . . . 29 ASP HN . 6576 2
186 . 1 1 29 29 ASP HA H 1 4.71 0.017 . 1 . . . . 29 ASP HA . 6576 2
187 . 1 1 29 29 ASP HB2 H 1 3.02 0.017 . 2 . . . . 29 ASP HB2 . 6576 2
188 . 1 1 29 29 ASP HB3 H 1 2.42 0.017 . 2 . . . . 29 ASP HB3 . 6576 2
189 . 1 1 30 30 CYS H H 1 8.35 0.017 . 1 . . . . 30 CYS HN . 6576 2
190 . 1 1 30 30 CYS HA H 1 4.57 0.017 . 1 . . . . 30 CYS HA . 6576 2
191 . 1 1 30 30 CYS HB2 H 1 3.17 0.017 . 2 . . . . 30 CYS HB2 . 6576 2
192 . 1 1 30 30 CYS HB3 H 1 3.10 0.017 . 2 . . . . 30 CYS HB3 . 6576 2
193 . 1 1 31 31 ARG H H 1 8.30 0.017 . 1 . . . . 31 ARG HN . 6576 2
194 . 1 1 31 31 ARG HA H 1 4.13 0.017 . 1 . . . . 31 ARG HA . 6576 2
195 . 1 1 31 31 ARG HB2 H 1 1.69 0.017 . 2 . . . . 31 ARG HB2 . 6576 2
196 . 1 1 31 31 ARG HB3 H 1 1.50 0.017 . 2 . . . . 31 ARG HB3 . 6576 2
197 . 1 1 31 31 ARG HG2 H 1 1.39 0.017 . 2 . . . . 31 ARG HG2 . 6576 2
198 . 1 1 31 31 ARG HG3 H 1 1.35 0.017 . 2 . . . . 31 ARG HG3 . 6576 2
199 . 1 1 31 31 ARG HD2 H 1 2.60 0.017 . 2 . . . . 31 ARG HD2 . 6576 2
200 . 1 1 31 31 ARG HD3 H 1 2.55 0.017 . 2 . . . . 31 ARG HD3 . 6576 2
201 . 1 1 32 32 TRP H H 1 8.23 0.017 . 1 . . . . 32 TRP HN . 6576 2
202 . 1 1 32 32 TRP HA H 1 4.46 0.017 . 1 . . . . 32 TRP HA . 6576 2
203 . 1 1 32 32 TRP HB2 H 1 3.34 0.017 . 2 . . . . 32 TRP HB2 . 6576 2
204 . 1 1 32 32 TRP HB3 H 1 3.20 0.017 . 2 . . . . 32 TRP HB3 . 6576 2
205 . 1 1 32 32 TRP HD1 H 1 7.32 0.017 . 1 . . . . 32 TRP HD1 . 6576 2
206 . 1 1 32 32 TRP HE1 H 1 10.24 0.017 . 1 . . . . 32 TRP HE1 . 6576 2
207 . 1 1 32 32 TRP HE3 H 1 7.64 0.017 . 1 . . . . 32 TRP HE3 . 6576 2
208 . 1 1 32 32 TRP HZ2 H 1 7.50 0.017 . 1 . . . . 32 TRP HZ2 . 6576 2
209 . 1 1 32 32 TRP HZ3 H 1 7.17 0.017 . 1 . . . . 32 TRP HZ3 . 6576 2
210 . 1 1 32 32 TRP HH2 H 1 7.25 0.017 . 1 . . . . 32 TRP HH2 . 6576 2
211 . 1 1 33 33 ARG H H 1 8.38 0.017 . 1 . . . . 33 ARG HN . 6576 2
212 . 1 1 33 33 ARG HA H 1 3.39 0.017 . 1 . . . . 33 ARG HA . 6576 2
213 . 1 1 33 33 ARG HB2 H 1 1.94 0.017 . 2 . . . . 33 ARG HB2 . 6576 2
214 . 1 1 33 33 ARG HB3 H 1 1.82 0.017 . 2 . . . . 33 ARG HB3 . 6576 2
215 . 1 1 33 33 ARG HG2 H 1 0.90 0.017 . 2 . . . . 33 ARG HG2 . 6576 2
216 . 1 1 33 33 ARG HG3 H 1 0.58 0.017 . 2 . . . . 33 ARG HG3 . 6576 2
217 . 1 1 33 33 ARG HD2 H 1 2.77 0.017 . 1 . . . . 33 ARG HD2 . 6576 2
218 . 1 1 33 33 ARG HD3 H 1 2.77 0.017 . 1 . . . . 33 ARG HD3 . 6576 2
219 . 1 1 34 34 TRP H H 1 8.99 0.017 . 1 . . . . 34 TRP HN . 6576 2
220 . 1 1 34 34 TRP HA H 1 5.08 0.017 . 1 . . . . 34 TRP HA . 6576 2
221 . 1 1 34 34 TRP HB2 H 1 3.41 0.017 . 2 . . . . 34 TRP HB2 . 6576 2
222 . 1 1 34 34 TRP HB3 H 1 3.07 0.017 . 2 . . . . 34 TRP HB3 . 6576 2
223 . 1 1 34 34 TRP HD1 H 1 7.34 0.017 . 1 . . . . 34 TRP HD1 . 6576 2
224 . 1 1 34 34 TRP HE1 H 1 10.25 0.017 . 1 . . . . 34 TRP HE1 . 6576 2
225 . 1 1 34 34 TRP HE3 H 1 7.04 0.017 . 1 . . . . 34 TRP HE3 . 6576 2
226 . 1 1 34 34 TRP HZ2 H 1 7.47 0.017 . 1 . . . . 34 TRP HZ2 . 6576 2
227 . 1 1 34 34 TRP HZ3 H 1 7.18 0.017 . 1 . . . . 34 TRP HZ3 . 6576 2
228 . 1 1 34 34 TRP HH2 H 1 7.20 0.017 . 1 . . . . 34 TRP HH2 . 6576 2
229 . 1 1 35 35 LYS H H 1 10.06 0.017 . 1 . . . . 35 LYS HN . 6576 2
230 . 1 1 35 35 LYS HA H 1 4.82 0.017 . 1 . . . . 35 LYS HA . 6576 2
231 . 1 1 35 35 LYS HB2 H 1 1.60 0.017 . 2 . . . . 35 LYS HB2 . 6576 2
232 . 1 1 35 35 LYS HB3 H 1 1.55 0.017 . 2 . . . . 35 LYS HB3 . 6576 2
233 . 1 1 35 35 LYS HG2 H 1 1.19 0.017 . 1 . . . . 35 LYS HG2 . 6576 2
234 . 1 1 35 35 LYS HG3 H 1 1.19 0.017 . 1 . . . . 35 LYS HG3 . 6576 2
235 . 1 1 35 35 LYS HD2 H 1 1.84 0.017 . 2 . . . . 35 LYS HD2 . 6576 2
236 . 1 1 35 35 LYS HD3 H 1 1.42 0.017 . 2 . . . . 35 LYS HD3 . 6576 2
237 . 1 1 35 35 LYS HE2 H 1 2.95 0.017 . 2 . . . . 35 LYS HE2 . 6576 2
238 . 1 1 35 35 LYS HE3 H 1 2.76 0.017 . 2 . . . . 35 LYS HE3 . 6576 2
239 . 1 1 36 36 CYS H H 1 9.03 0.017 . 1 . . . . 36 CYS HN . 6576 2
240 . 1 1 36 36 CYS HA H 1 5.41 0.017 . 1 . . . . 36 CYS HA . 6576 2
241 . 1 1 36 36 CYS HB2 H 1 3.42 0.017 . 2 . . . . 36 CYS HB2 . 6576 2
242 . 1 1 36 36 CYS HB3 H 1 2.97 0.017 . 2 . . . . 36 CYS HB3 . 6576 2
243 . 1 1 37 37 CYS H H 1 9.29 0.017 . 1 . . . . 37 CYS HN . 6576 2
244 . 1 1 37 37 CYS HA H 1 5.40 0.017 . 1 . . . . 37 CYS HA . 6576 2
245 . 1 1 37 37 CYS HB2 H 1 3.12 0.017 . 2 . . . . 37 CYS HB2 . 6576 2
246 . 1 1 37 37 CYS HB3 H 1 3.02 0.017 . 2 . . . . 37 CYS HB3 . 6576 2
247 . 1 1 38 38 LYS H H 1 8.36 0.017 . 1 . . . . 38 LYS HN . 6576 2
248 . 1 1 38 38 LYS HA H 1 3.96 0.017 . 1 . . . . 38 LYS HA . 6576 2
249 . 1 1 38 38 LYS HB2 H 1 1.64 0.017 . 1 . . . . 38 LYS HB2 . 6576 2
250 . 1 1 38 38 LYS HB3 H 1 1.64 0.017 . 1 . . . . 38 LYS HB3 . 6576 2
251 . 1 1 38 38 LYS HG2 H 1 1.55 0.017 . 1 . . . . 38 LYS HG2 . 6576 2
252 . 1 1 38 38 LYS HG3 H 1 1.55 0.017 . 1 . . . . 38 LYS HG3 . 6576 2
253 . 1 1 38 38 LYS HD2 H 1 3.10 0.017 . 1 . . . . 38 LYS HD2 . 6576 2
254 . 1 1 38 38 LYS HD3 H 1 3.10 0.017 . 1 . . . . 38 LYS HD3 . 6576 2
255 . 1 1 38 38 LYS HE2 H 1 3.11 0.017 . 1 . . . . 38 LYS HE2 . 6576 2
256 . 1 1 38 38 LYS HE3 H 1 3.11 0.017 . 1 . . . . 38 LYS HE3 . 6576 2
257 . 1 1 39 39 LYS H H 1 8.69 0.017 . 1 . . . . 39 LYS HN . 6576 2
258 . 1 1 39 39 LYS HA H 1 4.17 0.017 . 1 . . . . 39 LYS HA . 6576 2
259 . 1 1 39 39 LYS HB2 H 1 1.66 0.017 . 2 . . . . 39 LYS HB2 . 6576 2
260 . 1 1 39 39 LYS HB3 H 1 1.60 0.017 . 2 . . . . 39 LYS HB3 . 6576 2
261 . 1 1 39 39 LYS HG2 H 1 1.29 0.017 . 1 . . . . 39 LYS HG2 . 6576 2
262 . 1 1 39 39 LYS HG3 H 1 1.29 0.017 . 1 . . . . 39 LYS HG3 . 6576 2
263 . 1 1 39 39 LYS HD3 H 1 1.41 0.017 . 2 . . . . 39 LYS HD3 . 6576 2
264 . 1 1 40 40 GLY H H 1 8.79 0.017 . 1 . . . . 40 GLY HN . 6576 2
265 . 1 1 40 40 GLY HA2 H 1 4.05 0.017 . 1 . . . . 40 GLY HA1 . 6576 2
266 . 1 1 40 40 GLY HA3 H 1 4.05 0.017 . 1 . . . . 40 GLY HA2 . 6576 2
267 . 1 1 41 41 SER H H 1 8.24 0.017 . 1 . . . . 41 SER HN . 6576 2
268 . 1 1 41 41 SER HA H 1 4.47 0.017 . 1 . . . . 41 SER HA . 6576 2
269 . 1 1 41 41 SER HB2 H 1 3.89 0.017 . 2 . . . . 41 SER HB2 . 6576 2
270 . 1 1 41 41 SER HB3 H 1 3.77 0.017 . 2 . . . . 41 SER HB3 . 6576 2
271 . 1 1 42 42 GLY H H 1 7.95 0.017 . 1 . . . . 42 GLY HN . 6576 2
272 . 1 1 42 42 GLY HA2 H 1 3.73 0.017 . 2 . . . . 42 GLY HA1 . 6576 2
273 . 1 1 42 42 GLY HA3 H 1 3.53 0.017 . 2 . . . . 42 GLY HA2 . 6576 2
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