###################################
# 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 17015
_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-1H NOESY' . . . 17015 1
2 '2D 1H-1H TOCSY' . . . 17015 1
4 '2D 1H-13C HSQC' . . . 17015 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
2 $ARIA . . 17015 1
3 $SPARKY . . 17015 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 GLY HA2 H 1 3.96 . . 2 . . . . 1 GLY HA2 . 17015 1
2 . 1 1 1 1 GLY HA3 H 1 3.85 . . 2 . . . . 1 GLY HA3 . 17015 1
3 . 1 1 1 1 GLY CA C 13 42.1 . . 1 . . . . 1 GLY CA . 17015 1
4 . 1 1 2 2 PHE H H 1 8.63 . . 1 . . . . 2 PHE H . 17015 1
5 . 1 1 2 2 PHE HA H 1 4.64 . . 1 . . . . 2 PHE HA . 17015 1
6 . 1 1 2 2 PHE HB2 H 1 3.22 . . 2 . . . . 2 PHE HB2 . 17015 1
7 . 1 1 2 2 PHE HB3 H 1 3.11 . . 2 . . . . 2 PHE HB3 . 17015 1
8 . 1 1 2 2 PHE HD1 H 1 7.30 . . 3 . . . . 2 PHE HD1 . 17015 1
9 . 1 1 2 2 PHE HD2 H 1 7.30 . . 3 . . . . 2 PHE HD2 . 17015 1
10 . 1 1 2 2 PHE HE1 H 1 7.39 . . 3 . . . . 2 PHE HE1 . 17015 1
11 . 1 1 2 2 PHE HE2 H 1 7.39 . . 3 . . . . 2 PHE HE2 . 17015 1
12 . 1 1 2 2 PHE HZ H 1 7.36 . . 1 . . . . 2 PHE HZ . 17015 1
13 . 1 1 2 2 PHE CA C 13 58.2 . . 1 . . . . 2 PHE CA . 17015 1
14 . 1 1 3 3 GLY H H 1 8.57 . . 1 . . . . 3 GLY H . 17015 1
15 . 1 1 3 3 GLY HA2 H 1 4.03 . . 2 . . . . 3 GLY HA2 . 17015 1
16 . 1 1 3 3 GLY HA3 H 1 3.95 . . 2 . . . . 3 GLY HA3 . 17015 1
17 . 1 1 3 3 GLY CA C 13 45.5 . . 1 . . . . 3 GLY CA . 17015 1
18 . 1 1 4 4 ALA H H 1 8.00 . . 1 . . . . 4 ALA H . 17015 1
19 . 1 1 4 4 ALA HA H 1 4.25 . . 1 . . . . 4 ALA HA . 17015 1
20 . 1 1 4 4 ALA HB1 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1
21 . 1 1 4 4 ALA HB2 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1
22 . 1 1 4 4 ALA HB3 H 1 1.56 . . 1 . . . . 4 ALA MB . 17015 1
23 . 1 1 4 4 ALA CA C 13 53.8 . . 1 . . . . 4 ALA CA . 17015 1
24 . 1 1 5 5 LEU H H 1 7.68 . . 1 . . . . 5 LEU H . 17015 1
25 . 1 1 5 5 LEU HA H 1 4.33 . . 1 . . . . 5 LEU HA . 17015 1
26 . 1 1 5 5 LEU HB2 H 1 1.81 . . 2 . . . . 5 LEU HB2 . 17015 1
27 . 1 1 5 5 LEU HB3 H 1 1.81 . . 2 . . . . 5 LEU HB3 . 17015 1
28 . 1 1 5 5 LEU HD11 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1
29 . 1 1 5 5 LEU HD12 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1
30 . 1 1 5 5 LEU HD13 H 1 1.05 . . 2 . . . . 5 LEU MD1 . 17015 1
31 . 1 1 5 5 LEU HD21 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1
32 . 1 1 5 5 LEU HD22 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1
33 . 1 1 5 5 LEU HD23 H 1 0.97 . . 2 . . . . 5 LEU MD2 . 17015 1
34 . 1 1 5 5 LEU HG H 1 1.72 . . 1 . . . . 5 LEU HG . 17015 1
35 . 1 1 5 5 LEU CA C 13 56.5 . . 1 . . . . 5 LEU CA . 17015 1
36 . 1 1 6 6 PHE H H 1 8.01 . . 1 . . . . 6 PHE H . 17015 1
37 . 1 1 6 6 PHE HA H 1 4.35 . . 1 . . . . 6 PHE HA . 17015 1
38 . 1 1 6 6 PHE HB2 H 1 3.28 . . 2 . . . . 6 PHE HB2 . 17015 1
39 . 1 1 6 6 PHE HB3 H 1 3.29 . . 2 . . . . 6 PHE HB3 . 17015 1
40 . 1 1 6 6 PHE HD1 H 1 7.29 . . 3 . . . . 6 PHE HD1 . 17015 1
41 . 1 1 6 6 PHE HD2 H 1 7.29 . . 3 . . . . 6 PHE HD2 . 17015 1
42 . 1 1 6 6 PHE HE1 H 1 7.41 . . 3 . . . . 6 PHE HE1 . 17015 1
43 . 1 1 6 6 PHE HE2 H 1 7.41 . . 3 . . . . 6 PHE HE2 . 17015 1
44 . 1 1 6 6 PHE HZ H 1 7.37 . . 1 . . . . 6 PHE HZ . 17015 1
45 . 1 1 6 6 PHE CA C 13 60.0 . . 1 . . . . 6 PHE CA . 17015 1
46 . 1 1 7 7 LYS H H 1 7.96 . . 1 . . . . 7 LYS H . 17015 1
47 . 1 1 7 7 LYS HA H 1 4.08 . . 1 . . . . 7 LYS HA . 17015 1
48 . 1 1 7 7 LYS HB2 H 1 2.03 . . 2 . . . . 7 LYS HB2 . 17015 1
49 . 1 1 7 7 LYS HB3 H 1 1.94 . . 2 . . . . 7 LYS HB3 . 17015 1
50 . 1 1 7 7 LYS HD2 H 1 1.79 . . 2 . . . . 7 LYS HD2 . 17015 1
51 . 1 1 7 7 LYS HD3 H 1 1.79 . . 2 . . . . 7 LYS HD3 . 17015 1
52 . 1 1 7 7 LYS HE2 H 1 3.07 . . 2 . . . . 7 LYS HE2 . 17015 1
53 . 1 1 7 7 LYS HE3 H 1 3.07 . . 2 . . . . 7 LYS HE3 . 17015 1
54 . 1 1 7 7 LYS HG2 H 1 1.52 . . 2 . . . . 7 LYS HG2 . 17015 1
55 . 1 1 7 7 LYS HG3 H 1 1.42 . . 2 . . . . 7 LYS HG3 . 17015 1
56 . 1 1 7 7 LYS CA C 13 58.4 . . 1 . . . . 7 LYS CA . 17015 1
57 . 1 1 8 8 PHE H H 1 7.93 . . 1 . . . . 8 PHE H . 17015 1
58 . 1 1 8 8 PHE HA H 1 4.43 . . 1 . . . . 8 PHE HA . 17015 1
59 . 1 1 8 8 PHE HB2 H 1 3.43 . . 2 . . . . 8 PHE HB2 . 17015 1
60 . 1 1 8 8 PHE HB3 H 1 3.35 . . 2 . . . . 8 PHE HB3 . 17015 1
61 . 1 1 8 8 PHE HD1 H 1 7.36 . . 3 . . . . 8 PHE HD1 . 17015 1
62 . 1 1 8 8 PHE HD2 H 1 7.36 . . 3 . . . . 8 PHE HD2 . 17015 1
63 . 1 1 8 8 PHE HE1 H 1 7.40 . . 3 . . . . 8 PHE HE1 . 17015 1
64 . 1 1 8 8 PHE HE2 H 1 7.40 . . 3 . . . . 8 PHE HE2 . 17015 1
65 . 1 1 8 8 PHE HZ H 1 7.30 . . 1 . . . . 8 PHE HZ . 17015 1
66 . 1 1 8 8 PHE CA C 13 59.7 . . 1 . . . . 8 PHE CA . 17015 1
67 . 1 1 9 9 LEU H H 1 8.53 . . 1 . . . . 9 LEU H . 17015 1
68 . 1 1 9 9 LEU HA H 1 4.07 . . 1 . . . . 9 LEU HA . 17015 1
69 . 1 1 9 9 LEU HB2 H 1 1.92 . . 2 . . . . 9 LEU HB2 . 17015 1
70 . 1 1 9 9 LEU HB3 H 1 1.69 . . 2 . . . . 9 LEU HB3 . 17015 1
71 . 1 1 9 9 LEU HD11 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1
72 . 1 1 9 9 LEU HD12 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1
73 . 1 1 9 9 LEU HD13 H 1 1.01 . . 2 . . . . 9 LEU MD1 . 17015 1
74 . 1 1 9 9 LEU HD21 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1
75 . 1 1 9 9 LEU HD22 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1
76 . 1 1 9 9 LEU HD23 H 1 1.01 . . 2 . . . . 9 LEU MD2 . 17015 1
77 . 1 1 9 9 LEU HG H 1 1.96 . . 1 . . . . 9 LEU HG . 17015 1
78 . 1 1 9 9 LEU CA C 13 56.9 . . 1 . . . . 9 LEU CA . 17015 1
79 . 1 1 10 10 ALA H H 1 8.42 . . 1 . . . . 10 ALA H . 17015 1
80 . 1 1 10 10 ALA HA H 1 4.01 . . 1 . . . . 10 ALA HA . 17015 1
81 . 1 1 10 10 ALA HB1 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1
82 . 1 1 10 10 ALA HB2 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1
83 . 1 1 10 10 ALA HB3 H 1 1.44 . . 1 . . . . 10 ALA MB . 17015 1
84 . 1 1 10 10 ALA CA C 13 54.2 . . 1 . . . . 10 ALA CA . 17015 1
85 . 1 1 11 11 LYS H H 1 7.70 . . 1 . . . . 11 LYS H . 17015 1
86 . 1 1 11 11 LYS HA H 1 4.13 . . 1 . . . . 11 LYS HA . 17015 1
87 . 1 1 11 11 LYS HB2 H 1 2.06 . . 2 . . . . 11 LYS HB2 . 17015 1
88 . 1 1 11 11 LYS HB3 H 1 2.06 . . 2 . . . . 11 LYS HB3 . 17015 1
89 . 1 1 11 11 LYS HD2 H 1 1.96 . . 2 . . . . 11 LYS HD2 . 17015 1
90 . 1 1 11 11 LYS HD3 H 1 1.96 . . 2 . . . . 11 LYS HD3 . 17015 1
91 . 1 1 11 11 LYS HE2 H 1 3.06 . . 2 . . . . 11 LYS HE2 . 17015 1
92 . 1 1 11 11 LYS HE3 H 1 3.06 . . 2 . . . . 11 LYS HE3 . 17015 1
93 . 1 1 11 11 LYS HG2 H 1 1.62 . . 2 . . . . 11 LYS HG2 . 17015 1
94 . 1 1 11 11 LYS HG3 H 1 1.62 . . 2 . . . . 11 LYS HG3 . 17015 1
95 . 1 1 11 11 LYS CA C 13 58.0 . . 1 . . . . 11 LYS CA . 17015 1
96 . 1 1 12 12 LYS H H 1 7.94 . . 1 . . . . 12 LYS H . 17015 1
97 . 1 1 12 12 LYS HA H 1 4.07 . . 1 . . . . 12 LYS HA . 17015 1
98 . 1 1 12 12 LYS HB2 H 1 2.03 . . 2 . . . . 12 LYS HB2 . 17015 1
99 . 1 1 12 12 LYS HB3 H 1 2.03 . . 2 . . . . 12 LYS HB3 . 17015 1
100 . 1 1 12 12 LYS HD2 H 1 1.92 . . 2 . . . . 12 LYS HD2 . 17015 1
101 . 1 1 12 12 LYS HD3 H 1 1.92 . . 2 . . . . 12 LYS HD3 . 17015 1
102 . 1 1 12 12 LYS HE2 H 1 3.04 . . 2 . . . . 12 LYS HE2 . 17015 1
103 . 1 1 12 12 LYS HE3 H 1 3.04 . . 2 . . . . 12 LYS HE3 . 17015 1
104 . 1 1 12 12 LYS HG2 H 1 1.43 . . 2 . . . . 12 LYS HG2 . 17015 1
105 . 1 1 12 12 LYS HG3 H 1 1.43 . . 2 . . . . 12 LYS HG3 . 17015 1
106 . 1 1 12 12 LYS CA C 13 58.1 . . 1 . . . . 12 LYS CA . 17015 1
107 . 1 1 13 13 VAL H H 1 8.72 . . 1 . . . . 13 VAL H . 17015 1
108 . 1 1 13 13 VAL HA H 1 3.67 . . 1 . . . . 13 VAL HA . 17015 1
109 . 1 1 13 13 VAL HB H 1 2.27 . . 1 . . . . 13 VAL HB . 17015 1
110 . 1 1 13 13 VAL HG11 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1
111 . 1 1 13 13 VAL HG12 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1
112 . 1 1 13 13 VAL HG13 H 1 1.13 . . 2 . . . . 13 VAL MG1 . 17015 1
113 . 1 1 13 13 VAL HG21 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1
114 . 1 1 13 13 VAL HG22 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1
115 . 1 1 13 13 VAL HG23 H 1 1.02 . . 2 . . . . 13 VAL MG2 . 17015 1
116 . 1 1 13 13 VAL CA C 13 66.1 . . 1 . . . . 13 VAL CA . 17015 1
117 . 1 1 14 14 ALA H H 1 8.30 . . 1 . . . . 14 ALA H . 17015 1
118 . 1 1 14 14 ALA HA H 1 4.11 . . 1 . . . . 14 ALA HA . 17015 1
119 . 1 1 14 14 ALA HB1 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1
120 . 1 1 14 14 ALA HB2 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1
121 . 1 1 14 14 ALA HB3 H 1 1.63 . . 1 . . . . 14 ALA MB . 17015 1
122 . 1 1 14 14 ALA CA C 13 54.7 . . 1 . . . . 14 ALA CA . 17015 1
123 . 1 1 15 15 LYS H H 1 8.19 . . 1 . . . . 15 LYS H . 17015 1
124 . 1 1 15 15 LYS HA H 1 4.15 . . 1 . . . . 15 LYS HA . 17015 1
125 . 1 1 15 15 LYS HB2 H 1 2.08 . . 2 . . . . 15 LYS HB2 . 17015 1
126 . 1 1 15 15 LYS HB3 H 1 2.01 . . 2 . . . . 15 LYS HB3 . 17015 1
127 . 1 1 15 15 LYS HD2 H 1 1.79 . . 2 . . . . 15 LYS HD2 . 17015 1
128 . 1 1 15 15 LYS HD3 H 1 1.79 . . 2 . . . . 15 LYS HD3 . 17015 1
129 . 1 1 15 15 LYS HE2 H 1 3.07 . . 2 . . . . 15 LYS HE2 . 17015 1
130 . 1 1 15 15 LYS HE3 H 1 3.07 . . 2 . . . . 15 LYS HE3 . 17015 1
131 . 1 1 15 15 LYS HG2 H 1 1.62 . . 2 . . . . 15 LYS HG2 . 17015 1
132 . 1 1 15 15 LYS HG3 H 1 1.62 . . 2 . . . . 15 LYS HG3 . 17015 1
133 . 1 1 15 15 LYS CA C 13 58.2 . . 1 . . . . 15 LYS CA . 17015 1
134 . 1 1 16 16 THR H H 1 8.02 . . 1 . . . . 16 THR H . 17015 1
135 . 1 1 16 16 THR HA H 1 4.05 . . 1 . . . . 16 THR HA . 17015 1
136 . 1 1 16 16 THR HB H 1 4.61 . . 1 . . . . 16 THR HB . 17015 1
137 . 1 1 16 16 THR HG21 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1
138 . 1 1 16 16 THR HG22 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1
139 . 1 1 16 16 THR HG23 H 1 1.37 . . 1 . . . . 16 THR MG . 17015 1
140 . 1 1 16 16 THR CA C 13 66.1 . . 1 . . . . 16 THR CA . 17015 1
141 . 1 1 17 17 VAL H H 1 8.66 . . 1 . . . . 17 VAL H . 17015 1
142 . 1 1 17 17 VAL HA H 1 3.74 . . 1 . . . . 17 VAL HA . 17015 1
143 . 1 1 17 17 VAL HB H 1 2.26 . . 1 . . . . 17 VAL HB . 17015 1
144 . 1 1 17 17 VAL HG11 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1
145 . 1 1 17 17 VAL HG12 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1
146 . 1 1 17 17 VAL HG13 H 1 1.14 . . 2 . . . . 17 VAL MG1 . 17015 1
147 . 1 1 17 17 VAL HG21 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1
148 . 1 1 17 17 VAL HG22 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1
149 . 1 1 17 17 VAL HG23 H 1 1.04 . . 2 . . . . 17 VAL MG2 . 17015 1
150 . 1 1 17 17 VAL CA C 13 65.6 . . 1 . . . . 17 VAL CA . 17015 1
151 . 1 1 18 18 ALA H H 1 8.25 . . 1 . . . . 18 ALA H . 17015 1
152 . 1 1 18 18 ALA HA H 1 4.19 . . 1 . . . . 18 ALA HA . 17015 1
153 . 1 1 18 18 ALA HB1 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1
154 . 1 1 18 18 ALA HB2 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1
155 . 1 1 18 18 ALA HB3 H 1 1.63 . . 1 . . . . 18 ALA MB . 17015 1
156 . 1 1 18 18 ALA CA C 13 54.1 . . 1 . . . . 18 ALA CA . 17015 1
157 . 1 1 19 19 LYS H H 1 7.98 . . 1 . . . . 19 LYS H . 17015 1
158 . 1 1 19 19 LYS HA H 1 4.19 . . 1 . . . . 19 LYS HA . 17015 1
159 . 1 1 19 19 LYS HB2 H 1 2.15 . . 2 . . . . 19 LYS HB2 . 17015 1
160 . 1 1 19 19 LYS HB3 H 1 2.09 . . 2 . . . . 19 LYS HB3 . 17015 1
161 . 1 1 19 19 LYS HD2 H 1 1.84 . . 2 . . . . 19 LYS HD2 . 17015 1
162 . 1 1 19 19 LYS HD3 H 1 1.84 . . 2 . . . . 19 LYS HD3 . 17015 1
163 . 1 1 19 19 LYS HE2 H 1 3.09 . . 2 . . . . 19 LYS HE2 . 17015 1
164 . 1 1 19 19 LYS HE3 H 1 3.09 . . 2 . . . . 19 LYS HE3 . 17015 1
165 . 1 1 19 19 LYS HG2 H 1 1.63 . . 2 . . . . 19 LYS HG2 . 17015 1
166 . 1 1 19 19 LYS HG3 H 1 1.63 . . 2 . . . . 19 LYS HG3 . 17015 1
167 . 1 1 19 19 LYS CA C 13 58.2 . . 1 . . . . 19 LYS CA . 17015 1
168 . 1 1 20 20 GLN H H 1 8.13 . . 1 . . . . 20 GLN H . 17015 1
169 . 1 1 20 20 GLN HA H 1 4.26 . . 1 . . . . 20 GLN HA . 17015 1
170 . 1 1 20 20 GLN HB2 H 1 2.36 . . 2 . . . . 20 GLN HB2 . 17015 1
171 . 1 1 20 20 GLN HB3 H 1 2.30 . . 2 . . . . 20 GLN HB3 . 17015 1
172 . 1 1 20 20 GLN HE21 H 1 7.25 . . 2 . . . . 20 GLN HE21 . 17015 1
173 . 1 1 20 20 GLN HE22 H 1 6.72 . . 2 . . . . 20 GLN HE22 . 17015 1
174 . 1 1 20 20 GLN HG2 H 1 2.59 . . 2 . . . . 20 GLN HG2 . 17015 1
175 . 1 1 20 20 GLN HG3 H 1 2.59 . . 2 . . . . 20 GLN HG3 . 17015 1
176 . 1 1 20 20 GLN CA C 13 57.0 . . 1 . . . . 20 GLN CA . 17015 1
177 . 1 1 21 21 ALA H H 1 8.75 . . 1 . . . . 21 ALA H . 17015 1
178 . 1 1 21 21 ALA HA H 1 4.21 . . 1 . . . . 21 ALA HA . 17015 1
179 . 1 1 21 21 ALA HB1 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1
180 . 1 1 21 21 ALA HB2 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1
181 . 1 1 21 21 ALA HB3 H 1 1.59 . . 1 . . . . 21 ALA MB . 17015 1
182 . 1 1 21 21 ALA CA C 13 54.0 . . 1 . . . . 21 ALA CA . 17015 1
183 . 1 1 22 22 ALA H H 1 8.15 . . 1 . . . . 22 ALA H . 17015 1
184 . 1 1 22 22 ALA HA H 1 4.28 . . 1 . . . . 22 ALA HA . 17015 1
185 . 1 1 22 22 ALA HB1 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1
186 . 1 1 22 22 ALA HB2 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1
187 . 1 1 22 22 ALA HB3 H 1 1.65 . . 1 . . . . 22 ALA MB . 17015 1
188 . 1 1 22 22 ALA CA C 13 53.7 . . 1 . . . . 22 ALA CA . 17015 1
189 . 1 1 23 23 LYS H H 1 7.95 . . 1 . . . . 23 LYS H . 17015 1
190 . 1 1 23 23 LYS HA H 1 4.22 . . 1 . . . . 23 LYS HA . 17015 1
191 . 1 1 23 23 LYS HB2 H 1 2.08 . . 2 . . . . 23 LYS HB2 . 17015 1
192 . 1 1 23 23 LYS HB3 H 1 2.08 . . 2 . . . . 23 LYS HB3 . 17015 1
193 . 1 1 23 23 LYS HD2 H 1 1.83 . . 2 . . . . 23 LYS HD2 . 17015 1
194 . 1 1 23 23 LYS HD3 H 1 1.77 . . 2 . . . . 23 LYS HD3 . 17015 1
195 . 1 1 23 23 LYS HE2 H 1 3.09 . . 2 . . . . 23 LYS HE2 . 17015 1
196 . 1 1 23 23 LYS HE3 H 1 3.09 . . 2 . . . . 23 LYS HE3 . 17015 1
197 . 1 1 23 23 LYS HG2 H 1 1.58 . . 2 . . . . 23 LYS HG2 . 17015 1
198 . 1 1 23 23 LYS HG3 H 1 1.58 . . 2 . . . . 23 LYS HG3 . 17015 1
199 . 1 1 23 23 LYS CA C 13 57.6 . . 1 . . . . 23 LYS CA . 17015 1
200 . 1 1 24 24 GLN H H 1 8.17 . . 1 . . . . 24 GLN H . 17015 1
201 . 1 1 24 24 GLN HA H 1 4.29 . . 1 . . . . 24 GLN HA . 17015 1
202 . 1 1 24 24 GLN HB2 H 1 2.29 . . 2 . . . . 24 GLN HB2 . 17015 1
203 . 1 1 24 24 GLN HB3 H 1 2.29 . . 2 . . . . 24 GLN HB3 . 17015 1
204 . 1 1 24 24 GLN HE21 H 1 7.31 . . 2 . . . . 24 GLN HE21 . 17015 1
205 . 1 1 24 24 GLN HE22 H 1 6.74 . . 2 . . . . 24 GLN HE22 . 17015 1
206 . 1 1 24 24 GLN HG2 H 1 2.57 . . 2 . . . . 24 GLN HG2 . 17015 1
207 . 1 1 24 24 GLN HG3 H 1 2.57 . . 2 . . . . 24 GLN HG3 . 17015 1
208 . 1 1 24 24 GLN CA C 13 56.7 . . 1 . . . . 24 GLN CA . 17015 1
209 . 1 1 25 25 GLY H H 1 8.35 . . 1 . . . . 25 GLY H . 17015 1
210 . 1 1 25 25 GLY HA2 H 1 4.10 . . 2 . . . . 25 GLY HA2 . 17015 1
211 . 1 1 25 25 GLY HA3 H 1 4.02 . . 2 . . . . 25 GLY HA3 . 17015 1
212 . 1 1 25 25 GLY CA C 13 45.4 . . 1 . . . . 25 GLY CA . 17015 1
213 . 1 1 26 26 ALA H H 1 8.03 . . 1 . . . . 26 ALA H . 17015 1
214 . 1 1 26 26 ALA HA H 1 4.28 . . 1 . . . . 26 ALA HA . 17015 1
215 . 1 1 26 26 ALA HB1 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1
216 . 1 1 26 26 ALA HB2 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1
217 . 1 1 26 26 ALA HB3 H 1 1.58 . . 1 . . . . 26 ALA MB . 17015 1
218 . 1 1 26 26 ALA CA C 13 53.6 . . 1 . . . . 26 ALA CA . 17015 1
219 . 1 1 27 27 LYS H H 1 7.92 . . 1 . . . . 27 LYS H . 17015 1
220 . 1 1 27 27 LYS HA H 1 4.10 . . 1 . . . . 27 LYS HA . 17015 1
221 . 1 1 27 27 LYS HB2 H 1 1.92 . . 2 . . . . 27 LYS HB2 . 17015 1
222 . 1 1 27 27 LYS HB3 H 1 1.92 . . 2 . . . . 27 LYS HB3 . 17015 1
223 . 1 1 27 27 LYS HD2 H 1 1.75 . . 2 . . . . 27 LYS HD2 . 17015 1
224 . 1 1 27 27 LYS HD3 H 1 1.75 . . 2 . . . . 27 LYS HD3 . 17015 1
225 . 1 1 27 27 LYS HE2 H 1 3.06 . . 2 . . . . 27 LYS HE2 . 17015 1
226 . 1 1 27 27 LYS HE3 H 1 3.06 . . 2 . . . . 27 LYS HE3 . 17015 1
227 . 1 1 27 27 LYS HG2 H 1 1.58 . . 2 . . . . 27 LYS HG2 . 17015 1
228 . 1 1 27 27 LYS HG3 H 1 1.58 . . 2 . . . . 27 LYS HG3 . 17015 1
229 . 1 1 27 27 LYS CA C 13 57.4 . . 1 . . . . 27 LYS CA . 17015 1
230 . 1 1 28 28 TYR H H 1 7.86 . . 1 . . . . 28 TYR H . 17015 1
231 . 1 1 28 28 TYR HA H 1 4.46 . . 1 . . . . 28 TYR HA . 17015 1
232 . 1 1 28 28 TYR HB2 H 1 3.35 . . 2 . . . . 28 TYR HB2 . 17015 1
233 . 1 1 28 28 TYR HB3 H 1 3.19 . . 2 . . . . 28 TYR HB3 . 17015 1
234 . 1 1 28 28 TYR HD1 H 1 7.25 . . 3 . . . . 28 TYR HD1 . 17015 1
235 . 1 1 28 28 TYR HD2 H 1 7.25 . . 3 . . . . 28 TYR HD2 . 17015 1
236 . 1 1 28 28 TYR HE1 H 1 6.92 . . 3 . . . . 28 TYR HE1 . 17015 1
237 . 1 1 28 28 TYR HE2 H 1 6.92 . . 3 . . . . 28 TYR HE2 . 17015 1
238 . 1 1 28 28 TYR CA C 13 59.2 . . 1 . . . . 28 TYR CA . 17015 1
239 . 1 1 29 29 VAL H H 1 7.90 . . 1 . . . . 29 VAL H . 17015 1
240 . 1 1 29 29 VAL HA H 1 3.84 . . 1 . . . . 29 VAL HA . 17015 1
241 . 1 1 29 29 VAL HB H 1 2.32 . . 1 . . . . 29 VAL HB . 17015 1
242 . 1 1 29 29 VAL HG11 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1
243 . 1 1 29 29 VAL HG12 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1
244 . 1 1 29 29 VAL HG13 H 1 1.20 . . 2 . . . . 29 VAL MG1 . 17015 1
245 . 1 1 29 29 VAL HG21 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1
246 . 1 1 29 29 VAL HG22 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1
247 . 1 1 29 29 VAL HG23 H 1 1.06 . . 2 . . . . 29 VAL MG2 . 17015 1
248 . 1 1 29 29 VAL CA C 13 64.3 . . 1 . . . . 29 VAL CA . 17015 1
249 . 1 1 30 30 VAL H H 1 8.20 . . 1 . . . . 30 VAL H . 17015 1
250 . 1 1 30 30 VAL HA H 1 3.90 . . 1 . . . . 30 VAL HA . 17015 1
251 . 1 1 30 30 VAL HB H 1 2.20 . . 1 . . . . 30 VAL HB . 17015 1
252 . 1 1 30 30 VAL HG11 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1
253 . 1 1 30 30 VAL HG12 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1
254 . 1 1 30 30 VAL HG13 H 1 1.14 . . 2 . . . . 30 VAL MG1 . 17015 1
255 . 1 1 30 30 VAL HG21 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1
256 . 1 1 30 30 VAL HG22 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1
257 . 1 1 30 30 VAL HG23 H 1 1.06 . . 2 . . . . 30 VAL MG2 . 17015 1
258 . 1 1 30 30 VAL CA C 13 64.3 . . 1 . . . . 30 VAL CA . 17015 1
259 . 1 1 31 31 ASN H H 1 8.15 . . 1 . . . . 31 ASN H . 17015 1
260 . 1 1 31 31 ASN HA H 1 4.61 . . 1 . . . . 31 ASN HA . 17015 1
261 . 1 1 31 31 ASN HB2 H 1 2.95 . . 2 . . . . 31 ASN HB2 . 17015 1
262 . 1 1 31 31 ASN HB3 H 1 2.88 . . 2 . . . . 31 ASN HB3 . 17015 1
263 . 1 1 31 31 ASN HD21 H 1 7.54 . . 2 . . . . 31 ASN HD21 . 17015 1
264 . 1 1 31 31 ASN HD22 H 1 6.73 . . 2 . . . . 31 ASN HD22 . 17015 1
265 . 1 1 31 31 ASN CA C 13 54.6 . . 1 . . . . 31 ASN CA . 17015 1
266 . 1 1 32 32 LYS H H 1 8.15 . . 1 . . . . 32 LYS H . 17015 1
267 . 1 1 32 32 LYS HA H 1 4.17 . . 1 . . . . 32 LYS HA . 17015 1
268 . 1 1 32 32 LYS HB2 H 1 1.96 . . 2 . . . . 32 LYS HB2 . 17015 1
269 . 1 1 32 32 LYS HB3 H 1 1.94 . . 2 . . . . 32 LYS HB3 . 17015 1
270 . 1 1 32 32 LYS HD2 H 1 1.76 . . 2 . . . . 32 LYS HD2 . 17015 1
271 . 1 1 32 32 LYS HD3 H 1 1.76 . . 2 . . . . 32 LYS HD3 . 17015 1
272 . 1 1 32 32 LYS HE2 H 1 3.06 . . 2 . . . . 32 LYS HE2 . 17015 1
273 . 1 1 32 32 LYS HE3 H 1 3.06 . . 2 . . . . 32 LYS HE3 . 17015 1
274 . 1 1 32 32 LYS HG2 H 1 1.50 . . 2 . . . . 32 LYS HG2 . 17015 1
275 . 1 1 32 32 LYS HG3 H 1 1.50 . . 2 . . . . 32 LYS HG3 . 17015 1
276 . 1 1 32 32 LYS CA C 13 57.0 . . 1 . . . . 32 LYS CA . 17015 1
277 . 1 1 33 33 GLN H H 1 8.31 . . 1 . . . . 33 GLN H . 17015 1
278 . 1 1 33 33 GLN HA H 1 4.27 . . 1 . . . . 33 GLN HA . 17015 1
279 . 1 1 33 33 GLN HB2 H 1 2.28 . . 2 . . . . 33 GLN HB2 . 17015 1
280 . 1 1 33 33 GLN HB3 H 1 2.28 . . 2 . . . . 33 GLN HB3 . 17015 1
281 . 1 1 33 33 GLN HE21 H 1 7.18 . . 2 . . . . 33 GLN HE21 . 17015 1
282 . 1 1 33 33 GLN HE22 H 1 6.62 . . 2 . . . . 33 GLN HE22 . 17015 1
283 . 1 1 33 33 GLN HG2 H 1 2.53 . . 2 . . . . 33 GLN HG2 . 17015 1
284 . 1 1 33 33 GLN HG3 H 1 2.53 . . 2 . . . . 33 GLN HG3 . 17015 1
285 . 1 1 33 33 GLN CA C 13 56.8 . . 1 . . . . 33 GLN CA . 17015 1
286 . 1 1 34 34 MET H H 1 8.20 . . 1 . . . . 34 MET H . 17015 1
287 . 1 1 34 34 MET HA H 1 4.46 . . 1 . . . . 34 MET HA . 17015 1
288 . 1 1 34 34 MET HB2 H 1 2.26 . . 2 . . . . 34 MET HB2 . 17015 1
289 . 1 1 34 34 MET HB3 H 1 2.26 . . 2 . . . . 34 MET HB3 . 17015 1
290 . 1 1 34 34 MET HE1 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1
291 . 1 1 34 34 MET HE2 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1
292 . 1 1 34 34 MET HE3 H 1 2.24 . . 1 . . . . 34 MET ME . 17015 1
293 . 1 1 34 34 MET HG2 H 1 2.81 . . 2 . . . . 34 MET HG2 . 17015 1
294 . 1 1 34 34 MET HG3 H 1 2.68 . . 2 . . . . 34 MET HG3 . 17015 1
295 . 1 1 34 34 MET CA C 13 55.7 . . 1 . . . . 34 MET CA . 17015 1
296 . 1 1 35 35 GLU H H 1 7.93 . . 1 . . . . 35 GLU H . 17015 1
297 . 1 1 35 35 GLU HA H 1 4.38 . . 1 . . . . 35 GLU HA . 17015 1
298 . 1 1 35 35 GLU HB2 H 1 2.29 . . 2 . . . . 35 GLU HB2 . 17015 1
299 . 1 1 35 35 GLU HB3 H 1 2.19 . . 2 . . . . 35 GLU HB3 . 17015 1
300 . 1 1 35 35 GLU HG2 H 1 2.68 . . 2 . . . . 35 GLU HG2 . 17015 1
301 . 1 1 35 35 GLU HG3 H 1 2.59 . . 2 . . . . 35 GLU HG3 . 17015 1
302 . 1 1 35 35 GLU CA C 13 55.0 . . 1 . . . . 35 GLU CA . 17015 1
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