###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 31072
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 31072 1
2 '2D 1H-1H COSY' . . . 31072 1
3 '2D 1H-1H NOESY' . . . 31072 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ACE H1 H 1 2.092 0.000 . 1 . . . . A 0 ACE H1 . 31072 1
2 . 1 . 1 2 2 PRO HA H 1 3.519 0.000 . 1 . . . . A 1 PRO HA . 31072 1
3 . 1 . 1 2 2 PRO HB2 H 1 1.925 0.000 . 2 . . . . A 1 PRO HB2 . 31072 1
4 . 1 . 1 2 2 PRO HB3 H 1 1.708 0.001 . 2 . . . . A 1 PRO HB3 . 31072 1
5 . 1 . 1 2 2 PRO HG2 H 1 1.930 0.000 . 2 . . . . A 1 PRO HG2 . 31072 1
6 . 1 . 1 2 2 PRO HG3 H 1 1.872 0.000 . 2 . . . . A 1 PRO HG3 . 31072 1
7 . 1 . 1 2 2 PRO HD2 H 1 3.567 0.001 . 2 . . . . A 1 PRO HD2 . 31072 1
8 . 1 . 1 2 2 PRO HD3 H 1 3.505 0.000 . 2 . . . . A 1 PRO HD3 . 31072 1
9 . 1 . 1 3 3 PRO HA H 1 4.412 0.001 . 1 . . . . A 2 PRO HA . 31072 1
10 . 1 . 1 3 3 PRO HB2 H 1 2.321 0.000 . 2 . . . . A 2 PRO HB2 . 31072 1
11 . 1 . 1 3 3 PRO HB3 H 1 1.983 0.001 . 2 . . . . A 2 PRO HB3 . 31072 1
12 . 1 . 1 3 3 PRO HG2 H 1 1.741 0.001 . 2 . . . . A 2 PRO HG2 . 31072 1
13 . 1 . 1 3 3 PRO HG3 H 1 1.668 0.000 . 2 . . . . A 2 PRO HG3 . 31072 1
14 . 1 . 1 3 3 PRO HD2 H 1 3.220 0.001 . 2 . . . . A 2 PRO HD2 . 31072 1
15 . 1 . 1 3 3 PRO HD3 H 1 3.136 0.001 . 2 . . . . A 2 PRO HD3 . 31072 1
16 . 1 . 1 4 4 LYS H H 1 8.741 0.001 . 1 . . . . A 3 LYS H . 31072 1
17 . 1 . 1 4 4 LYS HA H 1 4.325 0.001 . 1 . . . . A 3 LYS HA . 31072 1
18 . 1 . 1 4 4 LYS HB2 H 1 1.678 0.000 . 1 . . . . A 3 LYS HB2 . 31072 1
19 . 1 . 1 4 4 LYS HB3 H 1 1.678 0.000 . 1 . . . . A 3 LYS HB3 . 31072 1
20 . 1 . 1 4 4 LYS HG2 H 1 1.427 0.005 . 2 . . . . A 3 LYS HG2 . 31072 1
21 . 1 . 1 4 4 LYS HG3 H 1 1.341 0.001 . 2 . . . . A 3 LYS HG3 . 31072 1
22 . 1 . 1 4 4 LYS HD2 H 1 1.661 0.000 . 1 . . . . A 3 LYS HD2 . 31072 1
23 . 1 . 1 4 4 LYS HD3 H 1 1.661 0.000 . 1 . . . . A 3 LYS HD3 . 31072 1
24 . 1 . 1 4 4 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 3 LYS HE2 . 31072 1
25 . 1 . 1 4 4 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 3 LYS HE3 . 31072 1
26 . 1 . 1 5 5 LYS H H 1 8.644 0.000 . 1 . . . . A 4 LYS H . 31072 1
27 . 1 . 1 5 5 LYS HA H 1 3.129 0.002 . 1 . . . . A 4 LYS HA . 31072 1
28 . 1 . 1 5 5 LYS HB2 H 1 1.546 0.000 . 2 . . . . A 4 LYS HB2 . 31072 1
29 . 1 . 1 5 5 LYS HB3 H 1 1.486 0.000 . 2 . . . . A 4 LYS HB3 . 31072 1
30 . 1 . 1 5 5 LYS HG2 H 1 1.256 0.000 . 2 . . . . A 4 LYS HG2 . 31072 1
31 . 1 . 1 5 5 LYS HG3 H 1 0.661 0.006 . 2 . . . . A 4 LYS HG3 . 31072 1
32 . 1 . 1 5 5 LYS HD2 H 1 1.563 0.000 . 1 . . . . A 4 LYS HD2 . 31072 1
33 . 1 . 1 5 5 LYS HD3 H 1 1.563 0.000 . 1 . . . . A 4 LYS HD3 . 31072 1
34 . 1 . 1 5 5 LYS HE2 H 1 2.920 0.003 . 1 . . . . A 4 LYS HE2 . 31072 1
35 . 1 . 1 5 5 LYS HE3 H 1 2.920 0.003 . 1 . . . . A 4 LYS HE3 . 31072 1
36 . 1 . 1 6 6 PRO HA H 1 4.407 0.001 . 1 . . . . A 5 PRO HA . 31072 1
37 . 1 . 1 6 6 PRO HB2 H 1 2.400 0.001 . 2 . . . . A 5 PRO HB2 . 31072 1
38 . 1 . 1 6 6 PRO HB3 H 1 1.930 0.001 . 2 . . . . A 5 PRO HB3 . 31072 1
39 . 1 . 1 6 6 PRO HG2 H 1 1.715 0.000 . 2 . . . . A 5 PRO HG2 . 31072 1
40 . 1 . 1 6 6 PRO HG3 H 1 1.647 0.000 . 2 . . . . A 5 PRO HG3 . 31072 1
41 . 1 . 1 6 6 PRO HD2 H 1 3.453 0.001 . 2 . . . . A 5 PRO HD2 . 31072 1
42 . 1 . 1 6 6 PRO HD3 H 1 3.025 0.001 . 2 . . . . A 5 PRO HD3 . 31072 1
43 . 1 . 1 7 7 LYS H H 1 8.728 0.000 . 1 . . . . A 6 LYS H . 31072 1
44 . 1 . 1 7 7 LYS HA H 1 4.188 0.001 . 1 . . . . A 6 LYS HA . 31072 1
45 . 1 . 1 7 7 LYS HB2 H 1 1.683 0.000 . 1 . . . . A 6 LYS HB2 . 31072 1
46 . 1 . 1 7 7 LYS HB3 H 1 1.683 0.000 . 1 . . . . A 6 LYS HB3 . 31072 1
47 . 1 . 1 7 7 LYS HG2 H 1 1.429 0.000 . 2 . . . . A 6 LYS HG2 . 31072 1
48 . 1 . 1 7 7 LYS HG3 H 1 1.358 0.000 . 2 . . . . A 6 LYS HG3 . 31072 1
49 . 1 . 1 7 7 LYS HD2 H 1 1.670 0.000 . 1 . . . . A 6 LYS HD2 . 31072 1
50 . 1 . 1 7 7 LYS HD3 H 1 1.670 0.000 . 1 . . . . A 6 LYS HD3 . 31072 1
51 . 1 . 1 7 7 LYS HE2 H 1 2.983 0.000 . 1 . . . . A 6 LYS HE2 . 31072 1
52 . 1 . 1 7 7 LYS HE3 H 1 2.983 0.000 . 1 . . . . A 6 LYS HE3 . 31072 1
53 . 1 . 1 8 8 LYS H H 1 8.561 0.000 . 1 . . . . A 7 LYS H . 31072 1
54 . 1 . 1 8 8 LYS HA H 1 3.503 0.002 . 1 . . . . A 7 LYS HA . 31072 1
55 . 1 . 1 8 8 LYS HB2 H 1 1.568 0.000 . 2 . . . . A 7 LYS HB2 . 31072 1
56 . 1 . 1 8 8 LYS HB3 H 1 1.501 0.000 . 2 . . . . A 7 LYS HB3 . 31072 1
57 . 1 . 1 8 8 LYS HG2 H 1 1.349 0.001 . 2 . . . . A 7 LYS HG2 . 31072 1
58 . 1 . 1 8 8 LYS HG3 H 1 0.996 0.000 . 2 . . . . A 7 LYS HG3 . 31072 1
59 . 1 . 1 8 8 LYS HD2 H 1 1.570 0.000 . 1 . . . . A 7 LYS HD2 . 31072 1
60 . 1 . 1 8 8 LYS HD3 H 1 1.570 0.000 . 1 . . . . A 7 LYS HD3 . 31072 1
61 . 1 . 1 8 8 LYS HE2 H 1 2.933 0.000 . 1 . . . . A 7 LYS HE2 . 31072 1
62 . 1 . 1 8 8 LYS HE3 H 1 2.933 0.000 . 1 . . . . A 7 LYS HE3 . 31072 1
63 . 1 . 1 9 9 PRO HA H 1 4.327 0.001 . 1 . . . . A 8 PRO HA . 31072 1
64 . 1 . 1 9 9 PRO HB2 H 1 2.175 0.001 . 2 . . . . A 8 PRO HB2 . 31072 1
65 . 1 . 1 9 9 PRO HB3 H 1 1.730 0.000 . 2 . . . . A 8 PRO HB3 . 31072 1
66 . 1 . 1 9 9 PRO HG2 H 1 1.663 0.000 . 1 . . . . A 8 PRO HG2 . 31072 1
67 . 1 . 1 9 9 PRO HG3 H 1 1.663 0.000 . 1 . . . . A 8 PRO HG3 . 31072 1
68 . 1 . 1 9 9 PRO HD2 H 1 3.015 0.001 . 2 . . . . A 8 PRO HD2 . 31072 1
69 . 1 . 1 9 9 PRO HD3 H 1 2.761 0.002 . 2 . . . . A 8 PRO HD3 . 31072 1
70 . 1 . 1 10 10 GLY H H 1 8.429 0.000 . 1 . . . . A 9 GLY H . 31072 1
71 . 1 . 1 10 10 GLY HA2 H 1 4.003 0.001 . 2 . . . . A 9 GLY HA2 . 31072 1
72 . 1 . 1 10 10 GLY HA3 H 1 3.803 0.001 . 2 . . . . A 9 GLY HA3 . 31072 1
73 . 1 . 1 11 11 6ZS H1 H 1 0.823 0.001 . 1 . . . . A 10 6ZS H1 . 31072 1
74 . 1 . 1 11 11 6ZS H4 H 1 8.307 0.000 . 1 . . . . A 10 6ZS H4 . 31072 1
75 . 1 . 1 11 11 6ZS H7 H 1 1.411 0.000 . 1 . . . . A 10 6ZS H7 . 31072 1
76 . 1 . 1 11 11 6ZS H10 H 1 1.697 0.000 . 2 . . . . A 10 6ZS H10 . 31072 1
77 . 1 . 1 11 11 6ZS H11 H 1 1.736 0.000 . 2 . . . . A 10 6ZS H11 . 31072 1
78 . 1 . 1 12 12 ASN H H 1 8.425 0.000 . 1 . . . . A 11 ASN H . 31072 1
79 . 1 . 1 12 12 ASN HA H 1 4.871 0.000 . 1 . . . . A 11 ASN HA . 31072 1
80 . 1 . 1 12 12 ASN HB2 H 1 2.922 0.000 . 2 . . . . A 11 ASN HB2 . 31072 1
81 . 1 . 1 12 12 ASN HB3 H 1 2.762 0.000 . 2 . . . . A 11 ASN HB3 . 31072 1
82 . 1 . 1 12 12 ASN HD21 H 1 7.060 0.000 . 2 . . . . A 11 ASN HD21 . 31072 1
83 . 1 . 1 12 12 ASN HD22 H 1 7.731 0.000 . 2 . . . . A 11 ASN HD22 . 31072 1
84 . 1 . 1 13 13 ALA H H 1 7.758 0.001 . 1 . . . . A 12 ALA H . 31072 1
85 . 1 . 1 13 13 ALA HA H 1 4.250 0.000 . 1 . . . . A 12 ALA HA . 31072 1
86 . 1 . 1 13 13 ALA HB1 H 1 1.418 0.001 . 1 . . . . A 12 ALA HB1 . 31072 1
87 . 1 . 1 13 13 ALA HB2 H 1 1.418 0.001 . 1 . . . . A 12 ALA HB2 . 31072 1
88 . 1 . 1 13 13 ALA HB3 H 1 1.418 0.001 . 1 . . . . A 12 ALA HB3 . 31072 1
89 . 1 . 1 14 14 THR H H 1 7.737 0.000 . 1 . . . . A 13 THR H . 31072 1
90 . 1 . 1 14 14 THR HA H 1 4.578 0.001 . 1 . . . . A 13 THR HA . 31072 1
91 . 1 . 1 14 14 THR HB H 1 4.845 0.001 . 1 . . . . A 13 THR HB . 31072 1
92 . 1 . 1 14 14 THR HG21 H 1 1.458 0.000 . 1 . . . . A 13 THR HG21 . 31072 1
93 . 1 . 1 14 14 THR HG22 H 1 1.458 0.000 . 1 . . . . A 13 THR HG22 . 31072 1
94 . 1 . 1 14 14 THR HG23 H 1 1.458 0.000 . 1 . . . . A 13 THR HG23 . 31072 1
95 . 1 . 1 15 15 PRO HA H 1 4.260 0.001 . 1 . . . . A 14 PRO HA . 31072 1
96 . 1 . 1 15 15 PRO HB2 H 1 2.433 0.000 . 2 . . . . A 14 PRO HB2 . 31072 1
97 . 1 . 1 15 15 PRO HB3 H 1 1.971 0.002 . 2 . . . . A 14 PRO HB3 . 31072 1
98 . 1 . 1 15 15 PRO HG2 H 1 2.265 0.001 . 2 . . . . A 14 PRO HG2 . 31072 1
99 . 1 . 1 15 15 PRO HG3 H 1 2.091 0.000 . 2 . . . . A 14 PRO HG3 . 31072 1
100 . 1 . 1 15 15 PRO HD2 H 1 3.988 0.001 . 2 . . . . A 14 PRO HD2 . 31072 1
101 . 1 . 1 15 15 PRO HD3 H 1 3.931 0.002 . 2 . . . . A 14 PRO HD3 . 31072 1
102 . 1 . 1 16 16 GLU H H 1 9.084 0.000 . 1 . . . . A 15 GLU H . 31072 1
103 . 1 . 1 16 16 GLU HA H 1 4.157 0.001 . 1 . . . . A 15 GLU HA . 31072 1
104 . 1 . 1 16 16 GLU HB2 H 1 2.136 0.001 . 2 . . . . A 15 GLU HB2 . 31072 1
105 . 1 . 1 16 16 GLU HB3 H 1 1.973 0.000 . 2 . . . . A 15 GLU HB3 . 31072 1
106 . 1 . 1 16 16 GLU HG2 H 1 2.441 0.000 . 2 . . . . A 15 GLU HG2 . 31072 1
107 . 1 . 1 16 16 GLU HG3 H 1 2.331 0.000 . 2 . . . . A 15 GLU HG3 . 31072 1
108 . 1 . 1 17 17 LYS H H 1 7.900 0.001 . 1 . . . . A 16 LYS H . 31072 1
109 . 1 . 1 17 17 LYS HA H 1 4.248 0.001 . 1 . . . . A 16 LYS HA . 31072 1
110 . 1 . 1 17 17 LYS HB2 H 1 2.084 0.002 . 2 . . . . A 16 LYS HB2 . 31072 1
111 . 1 . 1 17 17 LYS HB3 H 1 1.885 0.000 . 2 . . . . A 16 LYS HB3 . 31072 1
112 . 1 . 1 17 17 LYS HG2 H 1 1.550 0.000 . 1 . . . . A 16 LYS HG2 . 31072 1
113 . 1 . 1 17 17 LYS HG3 H 1 1.550 0.000 . 1 . . . . A 16 LYS HG3 . 31072 1
114 . 1 . 1 17 17 LYS HD2 H 1 1.773 0.001 . 1 . . . . A 16 LYS HD2 . 31072 1
115 . 1 . 1 17 17 LYS HD3 H 1 1.773 0.001 . 1 . . . . A 16 LYS HD3 . 31072 1
116 . 1 . 1 17 17 LYS HE2 H 1 3.007 0.000 . 1 . . . . A 16 LYS HE2 . 31072 1
117 . 1 . 1 17 17 LYS HE3 H 1 3.007 0.000 . 1 . . . . A 16 LYS HE3 . 31072 1
118 . 1 . 1 18 18 LEU H H 1 8.418 0.000 . 1 . . . . A 17 LEU H . 31072 1
119 . 1 . 1 18 18 LEU HA H 1 4.142 0.001 . 1 . . . . A 17 LEU HA . 31072 1
120 . 1 . 1 18 18 LEU HB2 H 1 1.865 0.001 . 2 . . . . A 17 LEU HB2 . 31072 1
121 . 1 . 1 18 18 LEU HB3 H 1 1.697 0.000 . 2 . . . . A 17 LEU HB3 . 31072 1
122 . 1 . 1 18 18 LEU HG H 1 1.630 0.001 . 1 . . . . A 17 LEU HG . 31072 1
123 . 1 . 1 18 18 LEU HD11 H 1 0.838 0.000 . 2 . . . . A 17 LEU HD11 . 31072 1
124 . 1 . 1 18 18 LEU HD12 H 1 0.838 0.000 . 2 . . . . A 17 LEU HD12 . 31072 1
125 . 1 . 1 18 18 LEU HD13 H 1 0.838 0.000 . 2 . . . . A 17 LEU HD13 . 31072 1
126 . 1 . 1 18 18 LEU HD21 H 1 0.879 0.001 . 2 . . . . A 17 LEU HD21 . 31072 1
127 . 1 . 1 18 18 LEU HD22 H 1 0.879 0.001 . 2 . . . . A 17 LEU HD22 . 31072 1
128 . 1 . 1 18 18 LEU HD23 H 1 0.879 0.001 . 2 . . . . A 17 LEU HD23 . 31072 1
129 . 1 . 1 19 19 ALA H H 1 8.360 0.002 . 1 . . . . A 18 ALA H . 31072 1
130 . 1 . 1 19 19 ALA HA H 1 4.262 0.001 . 1 . . . . A 18 ALA HA . 31072 1
131 . 1 . 1 19 19 ALA HB1 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB1 . 31072 1
132 . 1 . 1 19 19 ALA HB2 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB2 . 31072 1
133 . 1 . 1 19 19 ALA HB3 H 1 1.518 0.001 . 1 . . . . A 18 ALA HB3 . 31072 1
134 . 1 . 1 20 20 ALA H H 1 7.967 0.001 . 1 . . . . A 19 ALA H . 31072 1
135 . 1 . 1 20 20 ALA HA H 1 4.225 0.001 . 1 . . . . A 19 ALA HA . 31072 1
136 . 1 . 1 20 20 ALA HB1 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB1 . 31072 1
137 . 1 . 1 20 20 ALA HB2 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB2 . 31072 1
138 . 1 . 1 20 20 ALA HB3 H 1 1.598 0.000 . 1 . . . . A 19 ALA HB3 . 31072 1
139 . 1 . 1 21 21 TYR H H 1 8.093 0.000 . 1 . . . . A 20 TYR H . 31072 1
140 . 1 . 1 21 21 TYR HA H 1 4.470 0.000 . 1 . . . . A 20 TYR HA . 31072 1
141 . 1 . 1 21 21 TYR HB2 H 1 3.244 0.000 . 2 . . . . A 20 TYR HB2 . 31072 1
142 . 1 . 1 21 21 TYR HB3 H 1 3.201 0.001 . 2 . . . . A 20 TYR HB3 . 31072 1
143 . 1 . 1 21 21 TYR HD1 H 1 7.155 0.000 . 1 . . . . A 20 TYR HD1 . 31072 1
144 . 1 . 1 21 21 TYR HD2 H 1 7.155 0.000 . 1 . . . . A 20 TYR HD2 . 31072 1
145 . 1 . 1 21 21 TYR HE1 H 1 6.560 0.000 . 1 . . . . A 20 TYR HE1 . 31072 1
146 . 1 . 1 21 21 TYR HE2 H 1 6.560 0.000 . 1 . . . . A 20 TYR HE2 . 31072 1
147 . 1 . 1 22 22 GLU H H 1 8.234 0.001 . 1 . . . . A 21 GLU H . 31072 1
148 . 1 . 1 22 22 GLU HA H 1 3.657 0.001 . 1 . . . . A 21 GLU HA . 31072 1
149 . 1 . 1 22 22 GLU HB2 H 1 2.162 0.001 . 2 . . . . A 21 GLU HB2 . 31072 1
150 . 1 . 1 22 22 GLU HB3 H 1 2.116 0.002 . 2 . . . . A 21 GLU HB3 . 31072 1
151 . 1 . 1 22 22 GLU HG2 H 1 2.567 0.000 . 2 . . . . A 21 GLU HG2 . 31072 1
152 . 1 . 1 22 22 GLU HG3 H 1 2.405 0.000 . 2 . . . . A 21 GLU HG3 . 31072 1
153 . 1 . 1 23 23 LYS H H 1 7.603 0.001 . 1 . . . . A 22 LYS H . 31072 1
154 . 1 . 1 23 23 LYS HA H 1 4.156 0.001 . 1 . . . . A 22 LYS HA . 31072 1
155 . 1 . 1 23 23 LYS HB2 H 1 1.993 0.003 . 1 . . . . A 22 LYS HB2 . 31072 1
156 . 1 . 1 23 23 LYS HB3 H 1 1.993 0.003 . 1 . . . . A 22 LYS HB3 . 31072 1
157 . 1 . 1 23 23 LYS HG2 H 1 1.638 0.000 . 2 . . . . A 22 LYS HG2 . 31072 1
158 . 1 . 1 23 23 LYS HG3 H 1 1.457 0.000 . 2 . . . . A 22 LYS HG3 . 31072 1
159 . 1 . 1 23 23 LYS HD2 H 1 1.717 0.000 . 1 . . . . A 22 LYS HD2 . 31072 1
160 . 1 . 1 23 23 LYS HD3 H 1 1.717 0.000 . 1 . . . . A 22 LYS HD3 . 31072 1
161 . 1 . 1 23 23 LYS HE2 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE2 . 31072 1
162 . 1 . 1 23 23 LYS HE3 H 1 2.994 0.000 . 1 . . . . A 22 LYS HE3 . 31072 1
163 . 1 . 1 24 24 GLU H H 1 8.373 0.001 . 1 . . . . A 23 GLU H . 31072 1
164 . 1 . 1 24 24 GLU HA H 1 4.086 0.001 . 1 . . . . A 23 GLU HA . 31072 1
165 . 1 . 1 24 24 GLU HB2 H 1 2.224 0.000 . 2 . . . . A 23 GLU HB2 . 31072 1
166 . 1 . 1 24 24 GLU HB3 H 1 1.993 0.000 . 2 . . . . A 23 GLU HB3 . 31072 1
167 . 1 . 1 24 24 GLU HG2 H 1 2.554 0.001 . 2 . . . . A 23 GLU HG2 . 31072 1
168 . 1 . 1 24 24 GLU HG3 H 1 2.246 0.000 . 2 . . . . A 23 GLU HG3 . 31072 1
169 . 1 . 1 25 25 LEU H H 1 9.246 0.000 . 1 . . . . A 24 LEU H . 31072 1
170 . 1 . 1 25 25 LEU HA H 1 3.942 0.000 . 1 . . . . A 24 LEU HA . 31072 1
171 . 1 . 1 25 25 LEU HB2 H 1 1.580 0.000 . 2 . . . . A 24 LEU HB2 . 31072 1
172 . 1 . 1 25 25 LEU HB3 H 1 0.885 0.000 . 2 . . . . A 24 LEU HB3 . 31072 1
173 . 1 . 1 25 25 LEU HG H 1 1.478 0.000 . 1 . . . . A 24 LEU HG . 31072 1
174 . 1 . 1 25 25 LEU HD11 H 1 0.865 0.000 . 2 . . . . A 24 LEU HD11 . 31072 1
175 . 1 . 1 25 25 LEU HD12 H 1 0.865 0.000 . 2 . . . . A 24 LEU HD12 . 31072 1
176 . 1 . 1 25 25 LEU HD13 H 1 0.865 0.000 . 2 . . . . A 24 LEU HD13 . 31072 1
177 . 1 . 1 25 25 LEU HD21 H 1 0.881 0.000 . 2 . . . . A 24 LEU HD21 . 31072 1
178 . 1 . 1 25 25 LEU HD22 H 1 0.881 0.000 . 2 . . . . A 24 LEU HD22 . 31072 1
179 . 1 . 1 25 25 LEU HD23 H 1 0.881 0.000 . 2 . . . . A 24 LEU HD23 . 31072 1
180 . 1 . 1 26 26 ALA H H 1 7.736 0.001 . 1 . . . . A 25 ALA H . 31072 1
181 . 1 . 1 26 26 ALA HA H 1 4.216 0.001 . 1 . . . . A 25 ALA HA . 31072 1
182 . 1 . 1 26 26 ALA HB1 H 1 1.507 0.001 . 1 . . . . A 25 ALA HB1 . 31072 1
183 . 1 . 1 26 26 ALA HB2 H 1 1.507 0.001 . 1 . . . . A 25 ALA HB2 . 31072 1
184 . 1 . 1 26 26 ALA HB3 H 1 1.507 0.001 . 1 . . . . A 25 ALA HB3 . 31072 1
185 . 1 . 1 27 27 ALA H H 1 7.807 0.000 . 1 . . . . A 26 ALA H . 31072 1
186 . 1 . 1 27 27 ALA HA H 1 4.200 0.001 . 1 . . . . A 26 ALA HA . 31072 1
187 . 1 . 1 27 27 ALA HB1 H 1 1.556 0.001 . 1 . . . . A 26 ALA HB1 . 31072 1
188 . 1 . 1 27 27 ALA HB2 H 1 1.556 0.001 . 1 . . . . A 26 ALA HB2 . 31072 1
189 . 1 . 1 27 27 ALA HB3 H 1 1.556 0.001 . 1 . . . . A 26 ALA HB3 . 31072 1
190 . 1 . 1 28 28 TYR H H 1 8.309 0.000 . 1 . . . . A 27 TYR H . 31072 1
191 . 1 . 1 28 28 TYR HA H 1 4.366 0.000 . 1 . . . . A 27 TYR HA . 31072 1
192 . 1 . 1 28 28 TYR HB2 H 1 3.354 0.000 . 2 . . . . A 27 TYR HB2 . 31072 1
193 . 1 . 1 28 28 TYR HB3 H 1 3.241 0.000 . 2 . . . . A 27 TYR HB3 . 31072 1
194 . 1 . 1 28 28 TYR HD1 H 1 7.062 0.000 . 1 . . . . A 27 TYR HD1 . 31072 1
195 . 1 . 1 28 28 TYR HD2 H 1 7.062 0.000 . 1 . . . . A 27 TYR HD2 . 31072 1
196 . 1 . 1 28 28 TYR HE1 H 1 6.651 0.000 . 1 . . . . A 27 TYR HE1 . 31072 1
197 . 1 . 1 28 28 TYR HE2 H 1 6.651 0.000 . 1 . . . . A 27 TYR HE2 . 31072 1
198 . 1 . 1 29 29 GLU H H 1 8.656 0.000 . 1 . . . . A 28 GLU H . 31072 1
199 . 1 . 1 29 29 GLU HA H 1 3.587 0.001 . 1 . . . . A 28 GLU HA . 31072 1
200 . 1 . 1 29 29 GLU HB2 H 1 2.093 0.000 . 2 . . . . A 28 GLU HB2 . 31072 1
201 . 1 . 1 29 29 GLU HB3 H 1 2.014 0.000 . 2 . . . . A 28 GLU HB3 . 31072 1
202 . 1 . 1 29 29 GLU HG2 H 1 2.638 0.000 . 2 . . . . A 28 GLU HG2 . 31072 1
203 . 1 . 1 29 29 GLU HG3 H 1 2.380 0.000 . 2 . . . . A 28 GLU HG3 . 31072 1
204 . 1 . 1 30 30 LYS H H 1 7.651 0.001 . 1 . . . . A 29 LYS H . 31072 1
205 . 1 . 1 30 30 LYS HA H 1 4.096 0.001 . 1 . . . . A 29 LYS HA . 31072 1
206 . 1 . 1 30 30 LYS HB2 H 1 1.958 0.002 . 1 . . . . A 29 LYS HB2 . 31072 1
207 . 1 . 1 30 30 LYS HB3 H 1 1.958 0.002 . 1 . . . . A 29 LYS HB3 . 31072 1
208 . 1 . 1 30 30 LYS HG2 H 1 1.594 0.003 . 2 . . . . A 29 LYS HG2 . 31072 1
209 . 1 . 1 30 30 LYS HG3 H 1 1.405 0.001 . 2 . . . . A 29 LYS HG3 . 31072 1
210 . 1 . 1 30 30 LYS HD2 H 1 1.699 0.001 . 1 . . . . A 29 LYS HD2 . 31072 1
211 . 1 . 1 30 30 LYS HD3 H 1 1.699 0.001 . 1 . . . . A 29 LYS HD3 . 31072 1
212 . 1 . 1 30 30 LYS HE2 H 1 2.984 0.000 . 1 . . . . A 29 LYS HE2 . 31072 1
213 . 1 . 1 30 30 LYS HE3 H 1 2.984 0.000 . 1 . . . . A 29 LYS HE3 . 31072 1
214 . 1 . 1 31 31 GLU H H 1 8.248 0.001 . 1 . . . . A 30 GLU H . 31072 1
215 . 1 . 1 31 31 GLU HA H 1 4.061 0.001 . 1 . . . . A 30 GLU HA . 31072 1
216 . 1 . 1 31 31 GLU HB2 H 1 2.119 0.001 . 2 . . . . A 30 GLU HB2 . 31072 1
217 . 1 . 1 31 31 GLU HB3 H 1 1.984 0.000 . 2 . . . . A 30 GLU HB3 . 31072 1
218 . 1 . 1 31 31 GLU HG2 H 1 2.467 0.000 . 2 . . . . A 30 GLU HG2 . 31072 1
219 . 1 . 1 31 31 GLU HG3 H 1 2.247 0.000 . 2 . . . . A 30 GLU HG3 . 31072 1
220 . 1 . 1 32 32 LEU H H 1 9.007 0.000 . 1 . . . . A 31 LEU H . 31072 1
221 . 1 . 1 32 32 LEU HA H 1 3.829 0.002 . 1 . . . . A 31 LEU HA . 31072 1
222 . 1 . 1 32 32 LEU HB2 H 1 1.520 0.000 . 2 . . . . A 31 LEU HB2 . 31072 1
223 . 1 . 1 32 32 LEU HB3 H 1 0.915 0.000 . 2 . . . . A 31 LEU HB3 . 31072 1
224 . 1 . 1 32 32 LEU HG H 1 1.392 0.001 . 1 . . . . A 31 LEU HG . 31072 1
225 . 1 . 1 32 32 LEU HD11 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD11 . 31072 1
226 . 1 . 1 32 32 LEU HD12 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD12 . 31072 1
227 . 1 . 1 32 32 LEU HD13 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD13 . 31072 1
228 . 1 . 1 32 32 LEU HD21 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD21 . 31072 1
229 . 1 . 1 32 32 LEU HD22 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD22 . 31072 1
230 . 1 . 1 32 32 LEU HD23 H 1 0.833 0.000 . 1 . . . . A 31 LEU HD23 . 31072 1
231 . 1 . 1 33 33 ALA H H 1 7.674 0.000 . 1 . . . . A 32 ALA H . 31072 1
232 . 1 . 1 33 33 ALA HA H 1 4.114 0.001 . 1 . . . . A 32 ALA HA . 31072 1
233 . 1 . 1 33 33 ALA HB1 H 1 1.474 0.001 . 1 . . . . A 32 ALA HB1 . 31072 1
234 . 1 . 1 33 33 ALA HB2 H 1 1.474 0.001 . 1 . . . . A 32 ALA HB2 . 31072 1
235 . 1 . 1 33 33 ALA HB3 H 1 1.474 0.001 . 1 . . . . A 32 ALA HB3 . 31072 1
236 . 1 . 1 34 34 ALA H H 1 7.477 0.000 . 1 . . . . A 33 ALA H . 31072 1
237 . 1 . 1 34 34 ALA HA H 1 4.204 0.001 . 1 . . . . A 33 ALA HA . 31072 1
238 . 1 . 1 34 34 ALA HB1 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB1 . 31072 1
239 . 1 . 1 34 34 ALA HB2 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB2 . 31072 1
240 . 1 . 1 34 34 ALA HB3 H 1 1.461 0.000 . 1 . . . . A 33 ALA HB3 . 31072 1
241 . 1 . 1 35 35 TYR H H 1 7.923 0.008 . 1 . . . . A 34 TYR H . 31072 1
242 . 1 . 1 35 35 TYR HA H 1 4.150 0.001 . 1 . . . . A 34 TYR HA . 31072 1
243 . 1 . 1 35 35 TYR HB2 H 1 3.195 0.002 . 2 . . . . A 34 TYR HB2 . 31072 1
244 . 1 . 1 35 35 TYR HB3 H 1 3.062 0.000 . 2 . . . . A 34 TYR HB3 . 31072 1
245 . 1 . 1 35 35 TYR HD1 H 1 7.181 0.000 . 1 . . . . A 34 TYR HD1 . 31072 1
246 . 1 . 1 35 35 TYR HD2 H 1 7.181 0.000 . 1 . . . . A 34 TYR HD2 . 31072 1
247 . 1 . 1 35 35 TYR HE1 H 1 6.774 0.000 . 1 . . . . A 34 TYR HE1 . 31072 1
248 . 1 . 1 35 35 TYR HE2 H 1 6.774 0.000 . 1 . . . . A 34 TYR HE2 . 31072 1
249 . 1 . 1 36 36 NH2 HN1 H 1 7.091 0.000 . 2 . . . . A 35 NH2 HN1 . 31072 1
250 . 1 . 1 36 36 NH2 HN2 H 1 7.149 0.000 . 2 . . . . A 35 NH2 HN2 . 31072 1
stop_
save_