###################################
# 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 31224
_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' . . . 31224 1
2 '2D 1H-1H COSY' . . . 31224 1
3 '2D 1H-1H NOESY' . . . 31224 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 LEU HA H 1 4.257 0.002 . 1 . . . . A 1 LEU HA . 31224 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.822 0.000 . 2 . . . . A 1 LEU HB2 . 31224 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.822 0.000 . 2 . . . . A 1 LEU HB3 . 31224 1
4 . 1 . 1 1 1 LEU HG H 1 1.821 0.000 . 1 . . . . A 1 LEU HG . 31224 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD11 . 31224 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD12 . 31224 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD13 . 31224 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD21 . 31224 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD22 . 31224 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.930 0.004 . 2 . . . . A 1 LEU HD23 . 31224 1
11 . 1 . 1 2 2 SER H H 1 9.766 0.000 . 1 . . . . A 2 SER H . 31224 1
12 . 1 . 1 2 2 SER HA H 1 4.626 0.000 . 1 . . . . A 2 SER HA . 31224 1
13 . 1 . 1 2 2 SER HB2 H 1 4.421 0.000 . 2 . . . . A 2 SER HB2 . 31224 1
14 . 1 . 1 2 2 SER HB3 H 1 4.119 0.001 . 2 . . . . A 2 SER HB3 . 31224 1
15 . 1 . 1 2 2 SER HG H 1 4.899 0.000 . 1 . . . . A 2 SER HG . 31224 1
16 . 1 . 1 3 3 ASP H H 1 9.282 0.000 . 1 . . . . A 3 ASP H . 31224 1
17 . 1 . 1 3 3 ASP HA H 1 4.418 0.000 . 1 . . . . A 3 ASP HA . 31224 1
18 . 1 . 1 3 3 ASP HB2 H 1 2.729 0.000 . 2 . . . . A 3 ASP HB2 . 31224 1
19 . 1 . 1 4 4 GLU H H 1 8.884 0.000 . 1 . . . . A 4 GLU H . 31224 1
20 . 1 . 1 4 4 GLU HA H 1 4.115 0.001 . 1 . . . . A 4 GLU HA . 31224 1
21 . 1 . 1 4 4 GLU HB2 H 1 2.029 0.000 . 2 . . . . A 4 GLU HB2 . 31224 1
22 . 1 . 1 4 4 GLU HB3 H 1 2.029 0.000 . 2 . . . . A 4 GLU HB3 . 31224 1
23 . 1 . 1 4 4 GLU HG2 H 1 2.346 0.000 . 2 . . . . A 4 GLU HG2 . 31224 1
24 . 1 . 1 5 5 ASP H H 1 8.075 0.001 . 1 . . . . A 5 ASP H . 31224 1
25 . 1 . 1 5 5 ASP HA H 1 4.513 0.000 . 1 . . . . A 5 ASP HA . 31224 1
26 . 1 . 1 5 5 ASP HB2 H 1 2.658 0.000 . 2 . . . . A 5 ASP HB2 . 31224 1
27 . 1 . 1 6 6 PHE H H 1 8.830 0.000 . 1 . . . . A 6 PHE H . 31224 1
28 . 1 . 1 6 6 PHE HA H 1 3.875 0.000 . 1 . . . . A 6 PHE HA . 31224 1
29 . 1 . 1 6 6 PHE HB2 H 1 3.400 0.000 . 2 . . . . A 6 PHE HB2 . 31224 1
30 . 1 . 1 6 6 PHE HB3 H 1 3.006 0.000 . 2 . . . . A 6 PHE HB3 . 31224 1
31 . 1 . 1 6 6 PHE HD1 H 1 7.155 0.000 . 3 . . . . A 6 PHE HD1 . 31224 1
32 . 1 . 1 6 6 PHE HD2 H 1 7.155 0.000 . 3 . . . . A 6 PHE HD2 . 31224 1
33 . 1 . 1 6 6 PHE HE1 H 1 6.572 0.000 . 3 . . . . A 6 PHE HE1 . 31224 1
34 . 1 . 1 6 6 PHE HE2 H 1 6.572 0.000 . 3 . . . . A 6 PHE HE2 . 31224 1
35 . 1 . 1 6 6 PHE HZ H 1 5.613 0.000 . 1 . . . . A 6 PHE HZ . 31224 1
36 . 1 . 1 7 7 LYS H H 1 7.849 0.001 . 1 . . . . A 7 LYS H . 31224 1
37 . 1 . 1 7 7 LYS HA H 1 4.362 0.001 . 1 . . . . A 7 LYS HA . 31224 1
38 . 1 . 1 7 7 LYS HB2 H 1 1.928 0.002 . 2 . . . . A 7 LYS HB2 . 31224 1
39 . 1 . 1 7 7 LYS HB3 H 1 1.899 0.000 . 2 . . . . A 7 LYS HB3 . 31224 1
40 . 1 . 1 7 7 LYS HG2 H 1 1.369 0.001 . 2 . . . . A 7 LYS HG2 . 31224 1
41 . 1 . 1 7 7 LYS HG3 H 1 1.288 0.002 . 2 . . . . A 7 LYS HG3 . 31224 1
42 . 1 . 1 7 7 LYS HD2 H 1 1.626 0.000 . 2 . . . . A 7 LYS HD2 . 31224 1
43 . 1 . 1 7 7 LYS HD3 H 1 1.626 0.000 . 2 . . . . A 7 LYS HD3 . 31224 1
44 . 1 . 1 7 7 LYS HE2 H 1 2.918 0.001 . 2 . . . . A 7 LYS HE2 . 31224 1
45 . 1 . 1 7 7 LYS HE3 H 1 2.918 0.001 . 2 . . . . A 7 LYS HE3 . 31224 1
46 . 1 . 1 8 8 ALA H H 1 7.749 0.001 . 1 . . . . A 8 ALA H . 31224 1
47 . 1 . 1 8 8 ALA HA H 1 4.095 0.000 . 1 . . . . A 8 ALA HA . 31224 1
48 . 1 . 1 8 8 ALA HB1 H 1 1.533 0.000 . 1 . . . . A 8 ALA HB1 . 31224 1
49 . 1 . 1 8 8 ALA HB2 H 1 1.533 0.000 . 1 . . . . A 8 ALA HB2 . 31224 1
50 . 1 . 1 8 8 ALA HB3 H 1 1.533 0.000 . 1 . . . . A 8 ALA HB3 . 31224 1
51 . 1 . 1 9 9 VAL H H 1 7.938 0.000 . 1 . . . . A 9 VAL H . 31224 1
52 . 1 . 1 9 9 VAL HA H 1 3.553 0.000 . 1 . . . . A 9 VAL HA . 31224 1
53 . 1 . 1 9 9 VAL HB H 1 1.488 0.000 . 1 . . . . A 9 VAL HB . 31224 1
54 . 1 . 1 9 9 VAL HG11 H 1 -0.112 0.000 . 2 . . . . A 9 VAL HG11 . 31224 1
55 . 1 . 1 9 9 VAL HG12 H 1 -0.112 0.000 . 2 . . . . A 9 VAL HG12 . 31224 1
56 . 1 . 1 9 9 VAL HG13 H 1 -0.112 0.000 . 2 . . . . A 9 VAL HG13 . 31224 1
57 . 1 . 1 9 9 VAL HG21 H 1 0.796 0.000 . 2 . . . . A 9 VAL HG21 . 31224 1
58 . 1 . 1 9 9 VAL HG22 H 1 0.796 0.000 . 2 . . . . A 9 VAL HG22 . 31224 1
59 . 1 . 1 9 9 VAL HG23 H 1 0.796 0.000 . 2 . . . . A 9 VAL HG23 . 31224 1
60 . 1 . 1 10 10 PHE H H 1 8.330 0.001 . 1 . . . . A 10 PHE H . 31224 1
61 . 1 . 1 10 10 PHE HA H 1 4.304 0.000 . 1 . . . . A 10 PHE HA . 31224 1
62 . 1 . 1 10 10 PHE HB2 H 1 3.002 0.000 . 2 . . . . A 10 PHE HB2 . 31224 1
63 . 1 . 1 10 10 PHE HB3 H 1 2.488 0.000 . 2 . . . . A 10 PHE HB3 . 31224 1
64 . 1 . 1 10 10 PHE HD1 H 1 6.399 0.001 . 3 . . . . A 10 PHE HD1 . 31224 1
65 . 1 . 1 10 10 PHE HD2 H 1 6.399 0.001 . 3 . . . . A 10 PHE HD2 . 31224 1
66 . 1 . 1 10 10 PHE HE1 H 1 6.602 0.000 . 3 . . . . A 10 PHE HE1 . 31224 1
67 . 1 . 1 10 10 PHE HE2 H 1 6.602 0.000 . 3 . . . . A 10 PHE HE2 . 31224 1
68 . 1 . 1 10 10 PHE HZ H 1 6.793 0.000 . 1 . . . . A 10 PHE HZ . 31224 1
69 . 1 . 1 11 11 GLY H H 1 8.281 0.000 . 1 . . . . A 11 GLY H . 31224 1
70 . 1 . 1 11 11 GLY HA2 H 1 3.932 0.000 . 2 . . . . A 11 GLY HA2 . 31224 1
71 . 1 . 1 12 12 NLE H H 1 7.541 0.000 . 1 . . . . A 12 NLE H . 31224 1
72 . 1 . 1 12 12 NLE HA H 1 4.774 0.001 . 1 . . . . A 12 NLE HA . 31224 1
73 . 1 . 1 12 12 NLE HB2 H 1 1.786 0.002 . 2 . . . . A 12 NLE HB2 . 31224 1
74 . 1 . 1 12 12 NLE HB3 H 1 2.052 0.002 . 2 . . . . A 12 NLE HB3 . 31224 1
75 . 1 . 1 12 12 NLE HD2 H 1 1.265 0.003 . 2 . . . . A 12 NLE HD2 . 31224 1
76 . 1 . 1 12 12 NLE HD3 H 1 1.402 0.000 . 2 . . . . A 12 NLE HD3 . 31224 1
77 . 1 . 1 12 12 NLE HE1 H 1 0.901 0.000 . 1 . . . . A 12 NLE HE1 . 31224 1
78 . 1 . 1 12 12 NLE HE2 H 1 0.901 0.000 . 1 . . . . A 12 NLE HE2 . 31224 1
79 . 1 . 1 12 12 NLE HE3 H 1 0.901 0.000 . 1 . . . . A 12 NLE HE3 . 31224 1
80 . 1 . 1 12 12 NLE HG2 H 1 1.253 0.002 . 2 . . . . A 12 NLE HG2 . 31224 1
81 . 1 . 1 12 12 NLE HG3 H 1 1.542 0.001 . 2 . . . . A 12 NLE HG3 . 31224 1
82 . 1 . 1 13 13 THR H H 1 8.074 0.000 . 1 . . . . A 13 THR H . 31224 1
83 . 1 . 1 13 13 THR HA H 1 4.517 0.000 . 1 . . . . A 13 THR HA . 31224 1
84 . 1 . 1 13 13 THR HB H 1 4.708 0.000 . 1 . . . . A 13 THR HB . 31224 1
85 . 1 . 1 13 13 THR HG1 H 1 5.306 0.000 . 1 . . . . A 13 THR HG1 . 31224 1
86 . 1 . 1 13 13 THR HG21 H 1 1.368 0.000 . 1 . . . . A 13 THR HG21 . 31224 1
87 . 1 . 1 13 13 THR HG22 H 1 1.368 0.000 . 1 . . . . A 13 THR HG22 . 31224 1
88 . 1 . 1 13 13 THR HG23 H 1 1.368 0.000 . 1 . . . . A 13 THR HG23 . 31224 1
89 . 1 . 1 14 14 ARG H H 1 8.786 0.000 . 1 . . . . A 14 ARG H . 31224 1
90 . 1 . 1 14 14 ARG HA H 1 3.193 0.000 . 1 . . . . A 14 ARG HA . 31224 1
91 . 1 . 1 14 14 ARG HB2 H 1 1.331 0.000 . 2 . . . . A 14 ARG HB2 . 31224 1
92 . 1 . 1 14 14 ARG HB3 H 1 1.187 0.000 . 2 . . . . A 14 ARG HB3 . 31224 1
93 . 1 . 1 14 14 ARG HG2 H 1 0.846 0.000 . 2 . . . . A 14 ARG HG2 . 31224 1
94 . 1 . 1 14 14 ARG HG3 H 1 0.540 0.000 . 2 . . . . A 14 ARG HG3 . 31224 1
95 . 1 . 1 14 14 ARG HD2 H 1 2.864 0.003 . 2 . . . . A 14 ARG HD2 . 31224 1
96 . 1 . 1 14 14 ARG HD3 H 1 2.772 0.002 . 2 . . . . A 14 ARG HD3 . 31224 1
97 . 1 . 1 14 14 ARG HE H 1 7.081 0.001 . 1 . . . . A 14 ARG HE . 31224 1
98 . 1 . 1 15 15 SER H H 1 8.265 0.002 . 1 . . . . A 15 SER H . 31224 1
99 . 1 . 1 15 15 SER HA H 1 4.068 0.000 . 1 . . . . A 15 SER HA . 31224 1
100 . 1 . 1 15 15 SER HB2 H 1 3.793 0.000 . 2 . . . . A 15 SER HB2 . 31224 1
101 . 1 . 1 15 15 SER HB3 H 1 3.756 0.000 . 2 . . . . A 15 SER HB3 . 31224 1
102 . 1 . 1 16 16 ALA H H 1 7.721 0.000 . 1 . . . . A 16 ALA H . 31224 1
103 . 1 . 1 16 16 ALA HA H 1 4.100 0.000 . 1 . . . . A 16 ALA HA . 31224 1
104 . 1 . 1 16 16 ALA HB1 H 1 1.493 0.000 . 1 . . . . A 16 ALA HB1 . 31224 1
105 . 1 . 1 16 16 ALA HB2 H 1 1.493 0.000 . 1 . . . . A 16 ALA HB2 . 31224 1
106 . 1 . 1 16 16 ALA HB3 H 1 1.493 0.000 . 1 . . . . A 16 ALA HB3 . 31224 1
107 . 1 . 1 17 17 PHE H H 1 8.708 0.000 . 1 . . . . A 17 PHE H . 31224 1
108 . 1 . 1 17 17 PHE HA H 1 3.841 0.000 . 1 . . . . A 17 PHE HA . 31224 1
109 . 1 . 1 17 17 PHE HB2 H 1 3.224 0.000 . 2 . . . . A 17 PHE HB2 . 31224 1
110 . 1 . 1 17 17 PHE HB3 H 1 2.963 0.000 . 2 . . . . A 17 PHE HB3 . 31224 1
111 . 1 . 1 17 17 PHE HD1 H 1 6.887 0.003 . 3 . . . . A 17 PHE HD1 . 31224 1
112 . 1 . 1 17 17 PHE HD2 H 1 6.887 0.003 . 3 . . . . A 17 PHE HD2 . 31224 1
113 . 1 . 1 17 17 PHE HE1 H 1 6.973 0.000 . 3 . . . . A 17 PHE HE1 . 31224 1
114 . 1 . 1 17 17 PHE HE2 H 1 6.973 0.000 . 3 . . . . A 17 PHE HE2 . 31224 1
115 . 1 . 1 17 17 PHE HZ H 1 7.023 0.000 . 1 . . . . A 17 PHE HZ . 31224 1
116 . 1 . 1 18 18 ALA H H 1 7.877 0.002 . 1 . . . . A 18 ALA H . 31224 1
117 . 1 . 1 18 18 ALA HA H 1 3.972 0.000 . 1 . . . . A 18 ALA HA . 31224 1
118 . 1 . 1 18 18 ALA HB1 H 1 1.451 0.000 . 1 . . . . A 18 ALA HB1 . 31224 1
119 . 1 . 1 18 18 ALA HB2 H 1 1.451 0.000 . 1 . . . . A 18 ALA HB2 . 31224 1
120 . 1 . 1 18 18 ALA HB3 H 1 1.451 0.000 . 1 . . . . A 18 ALA HB3 . 31224 1
121 . 1 . 1 19 19 ASN H H 1 7.161 0.001 . 1 . . . . A 19 ASN H . 31224 1
122 . 1 . 1 19 19 ASN HA H 1 4.673 0.002 . 1 . . . . A 19 ASN HA . 31224 1
123 . 1 . 1 19 19 ASN HB2 H 1 2.865 0.000 . 2 . . . . A 19 ASN HB2 . 31224 1
124 . 1 . 1 19 19 ASN HB3 H 1 2.660 0.000 . 2 . . . . A 19 ASN HB3 . 31224 1
125 . 1 . 1 19 19 ASN HD21 H 1 6.866 0.000 . 2 . . . . A 19 ASN HD21 . 31224 1
126 . 1 . 1 19 19 ASN HD22 H 1 7.523 0.000 . 2 . . . . A 19 ASN HD22 . 31224 1
127 . 1 . 1 20 20 LEU H H 1 7.397 0.001 . 1 . . . . A 20 LEU H . 31224 1
128 . 1 . 1 20 20 LEU HA H 1 4.333 0.002 . 1 . . . . A 20 LEU HA . 31224 1
129 . 1 . 1 20 20 LEU HB2 H 1 1.613 0.002 . 2 . . . . A 20 LEU HB2 . 31224 1
130 . 1 . 1 20 20 LEU HB3 H 1 0.816 0.000 . 2 . . . . A 20 LEU HB3 . 31224 1
131 . 1 . 1 20 20 LEU HG H 1 1.809 0.005 . 1 . . . . A 20 LEU HG . 31224 1
132 . 1 . 1 20 20 LEU HD11 H 1 0.449 0.002 . 2 . . . . A 20 LEU HD11 . 31224 1
133 . 1 . 1 20 20 LEU HD12 H 1 0.449 0.002 . 2 . . . . A 20 LEU HD12 . 31224 1
134 . 1 . 1 20 20 LEU HD13 H 1 0.449 0.002 . 2 . . . . A 20 LEU HD13 . 31224 1
135 . 1 . 1 20 20 LEU HD21 H 1 0.733 0.002 . 2 . . . . A 20 LEU HD21 . 31224 1
136 . 1 . 1 20 20 LEU HD22 H 1 0.733 0.002 . 2 . . . . A 20 LEU HD22 . 31224 1
137 . 1 . 1 20 20 LEU HD23 H 1 0.733 0.002 . 2 . . . . A 20 LEU HD23 . 31224 1
138 . 1 . 1 21 21 PRO HA H 1 4.365 0.000 . 1 . . . . A 21 PRO HA . 31224 1
139 . 1 . 1 21 21 PRO HB2 H 1 2.381 0.000 . 2 . . . . A 21 PRO HB2 . 31224 1
140 . 1 . 1 21 21 PRO HB3 H 1 1.098 0.002 . 2 . . . . A 21 PRO HB3 . 31224 1
141 . 1 . 1 21 21 PRO HG2 H 1 2.088 0.000 . 2 . . . . A 21 PRO HG2 . 31224 1
142 . 1 . 1 21 21 PRO HG3 H 1 1.627 0.000 . 2 . . . . A 21 PRO HG3 . 31224 1
143 . 1 . 1 21 21 PRO HD2 H 1 3.804 0.000 . 2 . . . . A 21 PRO HD2 . 31224 1
144 . 1 . 1 21 21 PRO HD3 H 1 3.093 0.002 . 2 . . . . A 21 PRO HD3 . 31224 1
145 . 1 . 1 22 22 LEU H H 1 8.932 0.000 . 1 . . . . A 22 LEU H . 31224 1
146 . 1 . 1 22 22 LEU HA H 1 3.772 0.001 . 1 . . . . A 22 LEU HA . 31224 1
147 . 1 . 1 22 22 LEU HB2 H 1 1.730 0.000 . 2 . . . . A 22 LEU HB2 . 31224 1
148 . 1 . 1 22 22 LEU HB3 H 1 1.730 0.000 . 2 . . . . A 22 LEU HB3 . 31224 1
149 . 1 . 1 22 22 LEU HG H 1 1.620 0.000 . 1 . . . . A 22 LEU HG . 31224 1
150 . 1 . 1 22 22 LEU HD11 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD11 . 31224 1
151 . 1 . 1 22 22 LEU HD12 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD12 . 31224 1
152 . 1 . 1 22 22 LEU HD13 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD13 . 31224 1
153 . 1 . 1 22 22 LEU HD21 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD21 . 31224 1
154 . 1 . 1 22 22 LEU HD22 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD22 . 31224 1
155 . 1 . 1 22 22 LEU HD23 H 1 0.943 0.000 . 2 . . . . A 22 LEU HD23 . 31224 1
156 . 1 . 1 23 23 TRP H H 1 8.069 0.000 . 1 . . . . A 23 TRP H . 31224 1
157 . 1 . 1 23 23 TRP HA H 1 4.415 0.000 . 1 . . . . A 23 TRP HA . 31224 1
158 . 1 . 1 23 23 TRP HB2 H 1 3.493 0.000 . 2 . . . . A 23 TRP HB2 . 31224 1
159 . 1 . 1 23 23 TRP HB3 H 1 3.238 0.000 . 2 . . . . A 23 TRP HB3 . 31224 1
160 . 1 . 1 23 23 TRP HD1 H 1 7.566 0.000 . 1 . . . . A 23 TRP HD1 . 31224 1
161 . 1 . 1 23 23 TRP HE1 H 1 10.556 0.000 . 1 . . . . A 23 TRP HE1 . 31224 1
162 . 1 . 1 23 23 TRP HE3 H 1 7.377 0.005 . 1 . . . . A 23 TRP HE3 . 31224 1
163 . 1 . 1 23 23 TRP HZ2 H 1 7.527 0.002 . 1 . . . . A 23 TRP HZ2 . 31224 1
164 . 1 . 1 23 23 TRP HZ3 H 1 7.112 0.002 . 1 . . . . A 23 TRP HZ3 . 31224 1
165 . 1 . 1 23 23 TRP HH2 H 1 7.251 0.000 . 1 . . . . A 23 TRP HH2 . 31224 1
166 . 1 . 1 24 24 LYS H H 1 6.093 0.000 . 1 . . . . A 24 LYS H . 31224 1
167 . 1 . 1 24 24 LYS HA H 1 3.646 0.002 . 1 . . . . A 24 LYS HA . 31224 1
168 . 1 . 1 24 24 LYS HB2 H 1 1.275 0.000 . 2 . . . . A 24 LYS HB2 . 31224 1
169 . 1 . 1 24 24 LYS HB3 H 1 0.378 0.000 . 2 . . . . A 24 LYS HB3 . 31224 1
170 . 1 . 1 24 24 LYS HG2 H 1 0.813 0.000 . 2 . . . . A 24 LYS HG2 . 31224 1
171 . 1 . 1 24 24 LYS HG3 H 1 0.613 0.000 . 2 . . . . A 24 LYS HG3 . 31224 1
172 . 1 . 1 24 24 LYS HD2 H 1 1.416 0.000 . 2 . . . . A 24 LYS HD2 . 31224 1
173 . 1 . 1 24 24 LYS HD3 H 1 1.416 0.000 . 2 . . . . A 24 LYS HD3 . 31224 1
174 . 1 . 1 24 24 LYS HE2 H 1 2.821 0.000 . 2 . . . . A 24 LYS HE2 . 31224 1
175 . 1 . 1 24 24 LYS HE3 H 1 2.752 0.000 . 2 . . . . A 24 LYS HE3 . 31224 1
176 . 1 . 1 25 25 GLN H H 1 7.618 0.000 . 1 . . . . A 25 GLN H . 31224 1
177 . 1 . 1 25 25 GLN HA H 1 3.370 0.001 . 1 . . . . A 25 GLN HA . 31224 1
178 . 1 . 1 25 25 GLN HB2 H 1 2.083 0.001 . 2 . . . . A 25 GLN HB2 . 31224 1
179 . 1 . 1 25 25 GLN HB3 H 1 1.940 0.000 . 2 . . . . A 25 GLN HB3 . 31224 1
180 . 1 . 1 25 25 GLN HG2 H 1 1.831 0.000 . 2 . . . . A 25 GLN HG2 . 31224 1
181 . 1 . 1 25 25 GLN HG3 H 1 0.982 0.000 . 2 . . . . A 25 GLN HG3 . 31224 1
182 . 1 . 1 25 25 GLN HE21 H 1 6.583 0.000 . 2 . . . . A 25 GLN HE21 . 31224 1
183 . 1 . 1 25 25 GLN HE22 H 1 7.384 0.000 . 2 . . . . A 25 GLN HE22 . 31224 1
184 . 1 . 1 26 26 GLN H H 1 8.260 0.001 . 1 . . . . A 26 GLN H . 31224 1
185 . 1 . 1 26 26 GLN HA H 1 4.049 0.000 . 1 . . . . A 26 GLN HA . 31224 1
186 . 1 . 1 26 26 GLN HB2 H 1 2.274 0.000 . 2 . . . . A 26 GLN HB2 . 31224 1
187 . 1 . 1 26 26 GLN HB3 H 1 2.141 0.000 . 2 . . . . A 26 GLN HB3 . 31224 1
188 . 1 . 1 26 26 GLN HG2 H 1 2.588 0.000 . 2 . . . . A 26 GLN HG2 . 31224 1
189 . 1 . 1 26 26 GLN HG3 H 1 2.501 0.000 . 2 . . . . A 26 GLN HG3 . 31224 1
190 . 1 . 1 26 26 GLN HE21 H 1 7.012 0.000 . 2 . . . . A 26 GLN HE21 . 31224 1
191 . 1 . 1 26 26 GLN HE22 H 1 7.516 0.000 . 2 . . . . A 26 GLN HE22 . 31224 1
192 . 1 . 1 27 27 ASN H H 1 7.912 0.002 . 1 . . . . A 27 ASN H . 31224 1
193 . 1 . 1 27 27 ASN HA H 1 4.544 0.000 . 1 . . . . A 27 ASN HA . 31224 1
194 . 1 . 1 27 27 ASN HB2 H 1 2.992 0.000 . 2 . . . . A 27 ASN HB2 . 31224 1
195 . 1 . 1 27 27 ASN HB3 H 1 2.952 0.000 . 2 . . . . A 27 ASN HB3 . 31224 1
196 . 1 . 1 27 27 ASN HD21 H 1 7.303 0.000 . 2 . . . . A 27 ASN HD21 . 31224 1
197 . 1 . 1 27 27 ASN HD22 H 1 7.887 0.000 . 2 . . . . A 27 ASN HD22 . 31224 1
198 . 1 . 1 28 28 LEU H H 1 8.361 0.001 . 1 . . . . A 28 LEU H . 31224 1
199 . 1 . 1 28 28 LEU HA H 1 4.266 0.002 . 1 . . . . A 28 LEU HA . 31224 1
200 . 1 . 1 28 28 LEU HB2 H 1 2.065 0.001 . 2 . . . . A 28 LEU HB2 . 31224 1
201 . 1 . 1 28 28 LEU HB3 H 1 1.692 0.000 . 2 . . . . A 28 LEU HB3 . 31224 1
202 . 1 . 1 28 28 LEU HG H 1 1.854 0.000 . 1 . . . . A 28 LEU HG . 31224 1
203 . 1 . 1 28 28 LEU HD11 H 1 0.907 0.000 . 2 . . . . A 28 LEU HD11 . 31224 1
204 . 1 . 1 28 28 LEU HD12 H 1 0.907 0.000 . 2 . . . . A 28 LEU HD12 . 31224 1
205 . 1 . 1 28 28 LEU HD13 H 1 0.907 0.000 . 2 . . . . A 28 LEU HD13 . 31224 1
206 . 1 . 1 28 28 LEU HD21 H 1 1.053 0.000 . 2 . . . . A 28 LEU HD21 . 31224 1
207 . 1 . 1 28 28 LEU HD22 H 1 1.053 0.000 . 2 . . . . A 28 LEU HD22 . 31224 1
208 . 1 . 1 28 28 LEU HD23 H 1 1.053 0.000 . 2 . . . . A 28 LEU HD23 . 31224 1
209 . 1 . 1 29 29 LYS H H 1 8.037 0.001 . 1 . . . . A 29 LYS H . 31224 1
210 . 1 . 1 29 29 LYS HA H 1 3.956 0.001 . 1 . . . . A 29 LYS HA . 31224 1
211 . 1 . 1 29 29 LYS HB2 H 1 1.953 0.000 . 2 . . . . A 29 LYS HB2 . 31224 1
212 . 1 . 1 29 29 LYS HB3 H 1 1.408 0.000 . 2 . . . . A 29 LYS HB3 . 31224 1
213 . 1 . 1 29 29 LYS HG2 H 1 2.102 0.000 . 2 . . . . A 29 LYS HG2 . 31224 1
214 . 1 . 1 29 29 LYS HG3 H 1 1.974 0.000 . 2 . . . . A 29 LYS HG3 . 31224 1
215 . 1 . 1 29 29 LYS HD2 H 1 1.778 0.001 . 2 . . . . A 29 LYS HD2 . 31224 1
216 . 1 . 1 29 29 LYS HD3 H 1 1.778 0.001 . 2 . . . . A 29 LYS HD3 . 31224 1
217 . 1 . 1 29 29 LYS HE2 H 1 2.916 0.001 . 2 . . . . A 29 LYS HE2 . 31224 1
218 . 1 . 1 29 29 LYS HE3 H 1 2.916 0.001 . 2 . . . . A 29 LYS HE3 . 31224 1
219 . 1 . 1 30 30 A1BEB H H 1 8.008 0.000 . 1 . . . . A 30 A1BEB H . 31224 1
220 . 1 . 1 30 30 A1BEB H1 H 1 1.747 0.000 . . . . . . A 30 A1BEB H1 . 31224 1
221 . 1 . 1 30 30 A1BEB HB2 H 1 1.946 0.000 . 2 . . . . A 30 A1BEB HB2 . 31224 1
222 . 1 . 1 30 30 A1BEB HB21 H 1 1.304 0.000 . . . . . . A 30 A1BEB HB21 . 31224 1
223 . 1 . 1 30 30 A1BEB HB22 H 1 1.304 0.000 . . . . . . A 30 A1BEB HB22 . 31224 1
224 . 1 . 1 30 30 A1BEB HB23 H 1 1.304 0.000 . . . . . . A 30 A1BEB HB23 . 31224 1
225 . 1 . 1 30 30 A1BEB HB3 H 1 2.273 0.001 . 2 . . . . A 30 A1BEB HB3 . 31224 1
226 . 1 . 1 30 30 A1BEB HD3 H 1 1.747 0.000 . . . . . . A 30 A1BEB HD3 . 31224 1
227 . 1 . 1 30 30 A1BEB HE2 H 1 3.042 0.002 . . . . . . A 30 A1BEB HE2 . 31224 1
228 . 1 . 1 30 30 A1BEB HE3 H 1 3.042 0.002 . . . . . . A 30 A1BEB HE3 . 31224 1
229 . 1 . 1 30 30 A1BEB HG2 H 1 1.147 0.000 . 2 . . . . A 30 A1BEB HG2 . 31224 1
230 . 1 . 1 30 30 A1BEB HG3 H 1 1.519 0.000 . 2 . . . . A 30 A1BEB HG3 . 31224 1
231 . 1 . 1 31 31 GLU H H 1 8.179 0.001 . 1 . . . . A 31 GLU H . 31224 1
232 . 1 . 1 31 31 GLU HA H 1 4.075 0.000 . 1 . . . . A 31 GLU HA . 31224 1
233 . 1 . 1 31 31 GLU HB2 H 1 2.180 0.000 . 2 . . . . A 31 GLU HB2 . 31224 1
234 . 1 . 1 31 31 GLU HG2 H 1 2.357 0.006 . 2 . . . . A 31 GLU HG2 . 31224 1
235 . 1 . 1 32 32 LYS H H 1 7.733 0.001 . 1 . . . . A 32 LYS H . 31224 1
236 . 1 . 1 32 32 LYS HA H 1 4.333 0.000 . 1 . . . . A 32 LYS HA . 31224 1
237 . 1 . 1 32 32 LYS HB2 H 1 1.709 0.003 . 2 . . . . A 32 LYS HB2 . 31224 1
238 . 1 . 1 32 32 LYS HB3 H 1 1.673 0.002 . 2 . . . . A 32 LYS HB3 . 31224 1
239 . 1 . 1 32 32 LYS HG2 H 1 1.059 0.002 . 2 . . . . A 32 LYS HG2 . 31224 1
240 . 1 . 1 32 32 LYS HG3 H 1 1.059 0.002 . 2 . . . . A 32 LYS HG3 . 31224 1
241 . 1 . 1 32 32 LYS HD2 H 1 1.507 0.000 . 2 . . . . A 32 LYS HD2 . 31224 1
242 . 1 . 1 32 32 LYS HD3 H 1 1.507 0.000 . 2 . . . . A 32 LYS HD3 . 31224 1
243 . 1 . 1 32 32 LYS HE2 H 1 2.827 0.001 . 2 . . . . A 32 LYS HE2 . 31224 1
244 . 1 . 1 32 32 LYS HE3 H 1 2.827 0.001 . 2 . . . . A 32 LYS HE3 . 31224 1
245 . 1 . 1 33 33 GLY H H 1 7.982 0.000 . 1 . . . . A 33 GLY H . 31224 1
246 . 1 . 1 33 33 GLY HA2 H 1 3.660 0.000 . 2 . . . . A 33 GLY HA2 . 31224 1
247 . 1 . 1 34 34 LEU H H 1 7.869 0.000 . 1 . . . . A 34 LEU H . 31224 1
248 . 1 . 1 34 34 LEU HA H 1 4.354 0.002 . 1 . . . . A 34 LEU HA . 31224 1
249 . 1 . 1 34 34 LEU HB2 H 1 1.446 0.000 . 2 . . . . A 34 LEU HB2 . 31224 1
250 . 1 . 1 34 34 LEU HB3 H 1 1.446 0.000 . 2 . . . . A 34 LEU HB3 . 31224 1
251 . 1 . 1 34 34 LEU HG H 1 1.445 0.000 . 1 . . . . A 34 LEU HG . 31224 1
252 . 1 . 1 34 34 LEU HD11 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD11 . 31224 1
253 . 1 . 1 34 34 LEU HD12 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD12 . 31224 1
254 . 1 . 1 34 34 LEU HD13 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD13 . 31224 1
255 . 1 . 1 34 34 LEU HD21 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD21 . 31224 1
256 . 1 . 1 34 34 LEU HD22 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD22 . 31224 1
257 . 1 . 1 34 34 LEU HD23 H 1 0.783 0.003 . 2 . . . . A 34 LEU HD23 . 31224 1
258 . 1 . 1 35 35 PHE H H 1 7.975 0.001 . 1 . . . . A 35 PHE H . 31224 1
259 . 1 . 1 35 35 PHE HA H 1 4.488 0.000 . 1 . . . . A 35 PHE HA . 31224 1
260 . 1 . 1 35 35 PHE HB2 H 1 3.213 0.000 . 2 . . . . A 35 PHE HB2 . 31224 1
261 . 1 . 1 35 35 PHE HB3 H 1 2.952 0.000 . 2 . . . . A 35 PHE HB3 . 31224 1
262 . 1 . 1 35 35 PHE HD1 H 1 7.259 0.000 . 3 . . . . A 35 PHE HD1 . 31224 1
263 . 1 . 1 35 35 PHE HD2 H 1 7.259 0.000 . 3 . . . . A 35 PHE HD2 . 31224 1
264 . 1 . 1 35 35 PHE HE1 H 1 7.356 0.000 . 3 . . . . A 35 PHE HE1 . 31224 1
265 . 1 . 1 35 35 PHE HE2 H 1 7.356 0.000 . 3 . . . . A 35 PHE HE2 . 31224 1
266 . 1 . 1 35 35 PHE HZ H 1 7.284 0.024 . 1 . . . . A 35 PHE HZ . 31224 1
267 . 1 . 1 36 36 NH2 HN1 H 1 7.258 0.000 . 2 . . . . A 36 NH2 HN1 . 31224 1
268 . 1 . 1 36 36 NH2 HN2 H 1 7.633 0.000 . 2 . . . . A 36 NH2 HN2 . 31224 1
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