###################################
# 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 31222
_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' . . . 31222 1
2 '2D 1H-1H COSY' . . . 31222 1
3 '2D 1H-1H NOESY' . . . 31222 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 4.256 0.001 . 1 . . . . A 1 LEU HA . 31222 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.829 0.000 . 2 . . . . A 1 LEU HB2 . 31222 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.829 0.000 . 2 . . . . A 1 LEU HB3 . 31222 1
4 . 1 . 1 1 1 LEU HG H 1 1.855 0.000 . 1 . . . . A 1 LEU HG . 31222 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD11 . 31222 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD12 . 31222 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD13 . 31222 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD21 . 31222 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD22 . 31222 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.941 0.000 . 2 . . . . A 1 LEU HD23 . 31222 1
11 . 1 . 1 2 2 SER H H 1 9.780 0.001 . 1 . . . . A 2 SER H . 31222 1
12 . 1 . 1 2 2 SER HA H 1 4.626 0.002 . 1 . . . . A 2 SER HA . 31222 1
13 . 1 . 1 2 2 SER HB2 H 1 4.425 0.000 . 2 . . . . A 2 SER HB2 . 31222 1
14 . 1 . 1 2 2 SER HB3 H 1 4.120 0.001 . 2 . . . . A 2 SER HB3 . 31222 1
15 . 1 . 1 3 3 ASP H H 1 9.282 0.000 . 1 . . . . A 3 ASP H . 31222 1
16 . 1 . 1 3 3 ASP HA H 1 4.421 0.000 . 1 . . . . A 3 ASP HA . 31222 1
17 . 1 . 1 3 3 ASP HB2 H 1 2.725 0.000 . 2 . . . . A 3 ASP HB2 . 31222 1
18 . 1 . 1 4 4 GLU H H 1 8.886 0.000 . 1 . . . . A 4 GLU H . 31222 1
19 . 1 . 1 4 4 GLU HA H 1 4.117 0.000 . 1 . . . . A 4 GLU HA . 31222 1
20 . 1 . 1 4 4 GLU HB2 H 1 2.035 0.000 . 2 . . . . A 4 GLU HB2 . 31222 1
21 . 1 . 1 4 4 GLU HB3 H 1 2.035 0.000 . 2 . . . . A 4 GLU HB3 . 31222 1
22 . 1 . 1 4 4 GLU HG2 H 1 2.352 0.000 . 2 . . . . A 4 GLU HG2 . 31222 1
23 . 1 . 1 5 5 ASP H H 1 8.073 0.000 . 1 . . . . A 5 ASP H . 31222 1
24 . 1 . 1 5 5 ASP HA H 1 4.509 0.004 . 1 . . . . A 5 ASP HA . 31222 1
25 . 1 . 1 5 5 ASP HB2 H 1 2.665 0.001 . 2 . . . . A 5 ASP HB2 . 31222 1
26 . 1 . 1 6 6 PHE H H 1 8.837 0.000 . 1 . . . . A 6 PHE H . 31222 1
27 . 1 . 1 6 6 PHE HA H 1 3.884 0.000 . 1 . . . . A 6 PHE HA . 31222 1
28 . 1 . 1 6 6 PHE HB2 H 1 3.400 0.000 . 2 . . . . A 6 PHE HB2 . 31222 1
29 . 1 . 1 6 6 PHE HB3 H 1 3.006 0.000 . 2 . . . . A 6 PHE HB3 . 31222 1
30 . 1 . 1 6 6 PHE HD1 H 1 7.162 0.000 . 3 . . . . A 6 PHE HD1 . 31222 1
31 . 1 . 1 6 6 PHE HD2 H 1 7.162 0.000 . 3 . . . . A 6 PHE HD2 . 31222 1
32 . 1 . 1 6 6 PHE HE1 H 1 6.564 0.000 . 3 . . . . A 6 PHE HE1 . 31222 1
33 . 1 . 1 6 6 PHE HE2 H 1 6.564 0.000 . 3 . . . . A 6 PHE HE2 . 31222 1
34 . 1 . 1 6 6 PHE HZ H 1 5.558 0.000 . 1 . . . . A 6 PHE HZ . 31222 1
35 . 1 . 1 7 7 LYS H H 1 7.868 0.000 . 1 . . . . A 7 LYS H . 31222 1
36 . 1 . 1 7 7 LYS HA H 1 4.382 0.001 . 1 . . . . A 7 LYS HA . 31222 1
37 . 1 . 1 7 7 LYS HB2 H 1 1.933 0.000 . 2 . . . . A 7 LYS HB2 . 31222 1
38 . 1 . 1 7 7 LYS HB3 H 1 1.886 0.000 . 2 . . . . A 7 LYS HB3 . 31222 1
39 . 1 . 1 7 7 LYS HG2 H 1 1.378 0.000 . 2 . . . . A 7 LYS HG2 . 31222 1
40 . 1 . 1 7 7 LYS HG3 H 1 1.268 0.000 . 2 . . . . A 7 LYS HG3 . 31222 1
41 . 1 . 1 7 7 LYS HD2 H 1 1.628 0.000 . 2 . . . . A 7 LYS HD2 . 31222 1
42 . 1 . 1 7 7 LYS HD3 H 1 1.628 0.000 . 2 . . . . A 7 LYS HD3 . 31222 1
43 . 1 . 1 7 7 LYS HE2 H 1 2.921 0.000 . 2 . . . . A 7 LYS HE2 . 31222 1
44 . 1 . 1 7 7 LYS HE3 H 1 2.921 0.000 . 2 . . . . A 7 LYS HE3 . 31222 1
45 . 1 . 1 8 8 ALA H H 1 7.745 0.000 . 1 . . . . A 8 ALA H . 31222 1
46 . 1 . 1 8 8 ALA HA H 1 4.093 0.000 . 1 . . . . A 8 ALA HA . 31222 1
47 . 1 . 1 8 8 ALA HB1 H 1 1.534 0.000 . 1 . . . . A 8 ALA HB1 . 31222 1
48 . 1 . 1 8 8 ALA HB2 H 1 1.534 0.000 . 1 . . . . A 8 ALA HB2 . 31222 1
49 . 1 . 1 8 8 ALA HB3 H 1 1.534 0.000 . 1 . . . . A 8 ALA HB3 . 31222 1
50 . 1 . 1 9 9 VAL H H 1 7.913 0.000 . 1 . . . . A 9 VAL H . 31222 1
51 . 1 . 1 9 9 VAL HA H 1 3.558 0.001 . 1 . . . . A 9 VAL HA . 31222 1
52 . 1 . 1 9 9 VAL HB H 1 1.491 0.000 . 1 . . . . A 9 VAL HB . 31222 1
53 . 1 . 1 9 9 VAL HG11 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG11 . 31222 1
54 . 1 . 1 9 9 VAL HG12 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG12 . 31222 1
55 . 1 . 1 9 9 VAL HG13 H 1 -0.104 0.000 . 2 . . . . A 9 VAL HG13 . 31222 1
56 . 1 . 1 9 9 VAL HG21 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG21 . 31222 1
57 . 1 . 1 9 9 VAL HG22 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG22 . 31222 1
58 . 1 . 1 9 9 VAL HG23 H 1 0.797 0.000 . 2 . . . . A 9 VAL HG23 . 31222 1
59 . 1 . 1 10 10 PHE H H 1 8.374 0.002 . 1 . . . . A 10 PHE H . 31222 1
60 . 1 . 1 10 10 PHE HA H 1 4.275 0.000 . 1 . . . . A 10 PHE HA . 31222 1
61 . 1 . 1 10 10 PHE HB2 H 1 2.985 0.000 . 2 . . . . A 10 PHE HB2 . 31222 1
62 . 1 . 1 10 10 PHE HB3 H 1 2.488 0.002 . 2 . . . . A 10 PHE HB3 . 31222 1
63 . 1 . 1 10 10 PHE HD1 H 1 6.381 0.001 . 3 . . . . A 10 PHE HD1 . 31222 1
64 . 1 . 1 10 10 PHE HD2 H 1 6.381 0.001 . 3 . . . . A 10 PHE HD2 . 31222 1
65 . 1 . 1 10 10 PHE HE1 H 1 6.620 0.002 . 3 . . . . A 10 PHE HE1 . 31222 1
66 . 1 . 1 10 10 PHE HE2 H 1 6.620 0.002 . 3 . . . . A 10 PHE HE2 . 31222 1
67 . 1 . 1 10 10 PHE HZ H 1 6.822 0.000 . 1 . . . . A 10 PHE HZ . 31222 1
68 . 1 . 1 11 11 GLY H H 1 8.269 0.000 . 1 . . . . A 11 GLY H . 31222 1
69 . 1 . 1 11 11 GLY HA2 H 1 3.918 0.000 . 2 . . . . A 11 GLY HA2 . 31222 1
70 . 1 . 1 12 12 NLE H H 1 7.557 0.001 . 1 . . . . A 12 NLE H . 31222 1
71 . 1 . 1 12 12 NLE HA H 1 4.767 0.000 . 1 . . . . A 12 NLE HA . 31222 1
72 . 1 . 1 12 12 NLE HB2 H 1 1.796 0.000 . 2 . . . . A 12 NLE HB2 . 31222 1
73 . 1 . 1 12 12 NLE HB3 H 1 2.058 0.001 . 2 . . . . A 12 NLE HB3 . 31222 1
74 . 1 . 1 12 12 NLE HD2 H 1 1.288 0.000 . 2 . . . . A 12 NLE HD2 . 31222 1
75 . 1 . 1 12 12 NLE HD3 H 1 1.419 0.000 . 2 . . . . A 12 NLE HD3 . 31222 1
76 . 1 . 1 12 12 NLE HE1 H 1 0.898 0.000 . 1 . . . . A 12 NLE HE1 . 31222 1
77 . 1 . 1 12 12 NLE HE2 H 1 0.898 0.000 . 1 . . . . A 12 NLE HE2 . 31222 1
78 . 1 . 1 12 12 NLE HE3 H 1 0.898 0.000 . 1 . . . . A 12 NLE HE3 . 31222 1
79 . 1 . 1 12 12 NLE HG2 H 1 1.272 0.000 . 2 . . . . A 12 NLE HG2 . 31222 1
80 . 1 . 1 12 12 NLE HG3 H 1 1.550 0.000 . 2 . . . . A 12 NLE HG3 . 31222 1
81 . 1 . 1 13 13 THR H H 1 8.074 0.000 . 1 . . . . A 13 THR H . 31222 1
82 . 1 . 1 13 13 THR HA H 1 4.488 0.000 . 1 . . . . A 13 THR HA . 31222 1
83 . 1 . 1 13 13 THR HB H 1 4.643 0.005 . 1 . . . . A 13 THR HB . 31222 1
84 . 1 . 1 13 13 THR HG1 H 1 5.365 0.000 . 1 . . . . A 13 THR HG1 . 31222 1
85 . 1 . 1 13 13 THR HG21 H 1 1.379 0.001 . 1 . . . . A 13 THR HG21 . 31222 1
86 . 1 . 1 13 13 THR HG22 H 1 1.379 0.001 . 1 . . . . A 13 THR HG22 . 31222 1
87 . 1 . 1 13 13 THR HG23 H 1 1.379 0.001 . 1 . . . . A 13 THR HG23 . 31222 1
88 . 1 . 1 14 14 ARG H H 1 8.698 0.000 . 1 . . . . A 14 ARG H . 31222 1
89 . 1 . 1 14 14 ARG HA H 1 3.112 0.000 . 1 . . . . A 14 ARG HA . 31222 1
90 . 1 . 1 14 14 ARG HB2 H 1 1.304 0.001 . 2 . . . . A 14 ARG HB2 . 31222 1
91 . 1 . 1 14 14 ARG HB3 H 1 1.096 0.001 . 2 . . . . A 14 ARG HB3 . 31222 1
92 . 1 . 1 14 14 ARG HG2 H 1 0.804 0.000 . 2 . . . . A 14 ARG HG2 . 31222 1
93 . 1 . 1 14 14 ARG HG3 H 1 0.479 0.000 . 2 . . . . A 14 ARG HG3 . 31222 1
94 . 1 . 1 14 14 ARG HD2 H 1 2.904 0.000 . 2 . . . . A 14 ARG HD2 . 31222 1
95 . 1 . 1 14 14 ARG HD3 H 1 2.757 0.000 . 2 . . . . A 14 ARG HD3 . 31222 1
96 . 1 . 1 14 14 ARG HE H 1 7.133 0.001 . 1 . . . . A 14 ARG HE . 31222 1
97 . 1 . 1 15 15 EW6 H H 1 8.149 0.000 . 1 . . . . A 15 EW6 H . 31222 1
98 . 1 . 1 15 15 EW6 HB2 H 1 3.638 0.000 . 2 . . . . A 15 EW6 HB2 . 31222 1
99 . 1 . 1 15 15 EW6 HB3 H 1 3.668 0.000 . 2 . . . . A 15 EW6 HB3 . 31222 1
100 . 1 . 1 16 16 ALA H H 1 7.596 0.001 . 1 . . . . A 16 ALA H . 31222 1
101 . 1 . 1 16 16 ALA HA H 1 4.031 0.000 . 1 . . . . A 16 ALA HA . 31222 1
102 . 1 . 1 16 16 ALA HB1 H 1 1.481 0.000 . 1 . . . . A 16 ALA HB1 . 31222 1
103 . 1 . 1 16 16 ALA HB2 H 1 1.481 0.000 . 1 . . . . A 16 ALA HB2 . 31222 1
104 . 1 . 1 16 16 ALA HB3 H 1 1.481 0.000 . 1 . . . . A 16 ALA HB3 . 31222 1
105 . 1 . 1 17 17 PHE H H 1 8.762 0.000 . 1 . . . . A 17 PHE H . 31222 1
106 . 1 . 1 17 17 PHE HA H 1 3.844 0.000 . 1 . . . . A 17 PHE HA . 31222 1
107 . 1 . 1 17 17 PHE HB2 H 1 3.261 0.000 . 2 . . . . A 17 PHE HB2 . 31222 1
108 . 1 . 1 17 17 PHE HB3 H 1 2.985 0.000 . 2 . . . . A 17 PHE HB3 . 31222 1
109 . 1 . 1 17 17 PHE HD1 H 1 6.899 0.003 . 3 . . . . A 17 PHE HD1 . 31222 1
110 . 1 . 1 17 17 PHE HD2 H 1 6.899 0.003 . 3 . . . . A 17 PHE HD2 . 31222 1
111 . 1 . 1 17 17 PHE HE1 H 1 6.991 0.000 . 3 . . . . A 17 PHE HE1 . 31222 1
112 . 1 . 1 17 17 PHE HE2 H 1 6.991 0.000 . 3 . . . . A 17 PHE HE2 . 31222 1
113 . 1 . 1 17 17 PHE HZ H 1 7.031 0.000 . 1 . . . . A 17 PHE HZ . 31222 1
114 . 1 . 1 18 18 ALA H H 1 7.857 0.002 . 1 . . . . A 18 ALA H . 31222 1
115 . 1 . 1 18 18 ALA HA H 1 3.993 0.000 . 1 . . . . A 18 ALA HA . 31222 1
116 . 1 . 1 18 18 ALA HB1 H 1 1.486 0.000 . 1 . . . . A 18 ALA HB1 . 31222 1
117 . 1 . 1 18 18 ALA HB2 H 1 1.486 0.000 . 1 . . . . A 18 ALA HB2 . 31222 1
118 . 1 . 1 18 18 ALA HB3 H 1 1.486 0.000 . 1 . . . . A 18 ALA HB3 . 31222 1
119 . 1 . 1 19 19 ASN H H 1 7.292 0.000 . 1 . . . . A 19 ASN H . 31222 1
120 . 1 . 1 19 19 ASN HA H 1 4.667 0.000 . 1 . . . . A 19 ASN HA . 31222 1
121 . 1 . 1 19 19 ASN HB2 H 1 2.878 0.002 . 2 . . . . A 19 ASN HB2 . 31222 1
122 . 1 . 1 19 19 ASN HB3 H 1 2.671 0.001 . 2 . . . . A 19 ASN HB3 . 31222 1
123 . 1 . 1 19 19 ASN HD21 H 1 6.981 0.000 . 2 . . . . A 19 ASN HD21 . 31222 1
124 . 1 . 1 19 19 ASN HD22 H 1 7.630 0.000 . 2 . . . . A 19 ASN HD22 . 31222 1
125 . 1 . 1 20 20 LEU H H 1 7.357 0.001 . 1 . . . . A 20 LEU H . 31222 1
126 . 1 . 1 20 20 LEU HA H 1 4.334 0.000 . 1 . . . . A 20 LEU HA . 31222 1
127 . 1 . 1 20 20 LEU HB2 H 1 1.592 0.000 . 2 . . . . A 20 LEU HB2 . 31222 1
128 . 1 . 1 20 20 LEU HB3 H 1 0.823 0.000 . 2 . . . . A 20 LEU HB3 . 31222 1
129 . 1 . 1 20 20 LEU HG H 1 1.766 0.000 . 1 . . . . A 20 LEU HG . 31222 1
130 . 1 . 1 20 20 LEU HD11 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD11 . 31222 1
131 . 1 . 1 20 20 LEU HD12 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD12 . 31222 1
132 . 1 . 1 20 20 LEU HD13 H 1 0.441 0.000 . 2 . . . . A 20 LEU HD13 . 31222 1
133 . 1 . 1 20 20 LEU HD21 H 1 0.732 0.000 . 2 . . . . A 20 LEU HD21 . 31222 1
134 . 1 . 1 20 20 LEU HD22 H 1 0.732 0.000 . 2 . . . . A 20 LEU HD22 . 31222 1
135 . 1 . 1 20 20 LEU HD23 H 1 0.732 0.000 . 2 . . . . A 20 LEU HD23 . 31222 1
136 . 1 . 1 21 21 PRO HA H 1 4.368 0.001 . 1 . . . . A 21 PRO HA . 31222 1
137 . 1 . 1 21 21 PRO HB2 H 1 2.380 0.000 . 2 . . . . A 21 PRO HB2 . 31222 1
138 . 1 . 1 21 21 PRO HB3 H 1 1.089 0.000 . 2 . . . . A 21 PRO HB3 . 31222 1
139 . 1 . 1 21 21 PRO HG2 H 1 2.087 0.001 . 2 . . . . A 21 PRO HG2 . 31222 1
140 . 1 . 1 21 21 PRO HG3 H 1 1.613 0.002 . 2 . . . . A 21 PRO HG3 . 31222 1
141 . 1 . 1 21 21 PRO HD2 H 1 3.809 0.004 . 2 . . . . A 21 PRO HD2 . 31222 1
142 . 1 . 1 21 21 PRO HD3 H 1 3.095 0.000 . 2 . . . . A 21 PRO HD3 . 31222 1
143 . 1 . 1 22 22 LEU H H 1 8.937 0.000 . 1 . . . . A 22 LEU H . 31222 1
144 . 1 . 1 22 22 LEU HA H 1 3.780 0.001 . 1 . . . . A 22 LEU HA . 31222 1
145 . 1 . 1 22 22 LEU HB2 H 1 1.727 0.000 . 2 . . . . A 22 LEU HB2 . 31222 1
146 . 1 . 1 22 22 LEU HB3 H 1 1.727 0.000 . 2 . . . . A 22 LEU HB3 . 31222 1
147 . 1 . 1 22 22 LEU HG H 1 1.620 0.000 . 1 . . . . A 22 LEU HG . 31222 1
148 . 1 . 1 22 22 LEU HD11 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD11 . 31222 1
149 . 1 . 1 22 22 LEU HD12 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD12 . 31222 1
150 . 1 . 1 22 22 LEU HD13 H 1 0.909 0.000 . 2 . . . . A 22 LEU HD13 . 31222 1
151 . 1 . 1 22 22 LEU HD21 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD21 . 31222 1
152 . 1 . 1 22 22 LEU HD22 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD22 . 31222 1
153 . 1 . 1 22 22 LEU HD23 H 1 0.944 0.000 . 2 . . . . A 22 LEU HD23 . 31222 1
154 . 1 . 1 23 23 TRP H H 1 8.049 0.000 . 1 . . . . A 23 TRP H . 31222 1
155 . 1 . 1 23 23 TRP HA H 1 4.402 0.001 . 1 . . . . A 23 TRP HA . 31222 1
156 . 1 . 1 23 23 TRP HB2 H 1 3.495 0.001 . 2 . . . . A 23 TRP HB2 . 31222 1
157 . 1 . 1 23 23 TRP HB3 H 1 3.234 0.000 . 2 . . . . A 23 TRP HB3 . 31222 1
158 . 1 . 1 23 23 TRP HD1 H 1 7.570 0.001 . 1 . . . . A 23 TRP HD1 . 31222 1
159 . 1 . 1 23 23 TRP HE1 H 1 10.558 0.000 . 1 . . . . A 23 TRP HE1 . 31222 1
160 . 1 . 1 23 23 TRP HE3 H 1 7.381 0.000 . 1 . . . . A 23 TRP HE3 . 31222 1
161 . 1 . 1 23 23 TRP HZ2 H 1 7.534 0.003 . 1 . . . . A 23 TRP HZ2 . 31222 1
162 . 1 . 1 23 23 TRP HZ3 H 1 7.113 0.000 . 1 . . . . A 23 TRP HZ3 . 31222 1
163 . 1 . 1 23 23 TRP HH2 H 1 7.256 0.000 . 1 . . . . A 23 TRP HH2 . 31222 1
164 . 1 . 1 24 24 LYS H H 1 6.075 0.001 . 1 . . . . A 24 LYS H . 31222 1
165 . 1 . 1 24 24 LYS HA H 1 3.654 0.000 . 1 . . . . A 24 LYS HA . 31222 1
166 . 1 . 1 24 24 LYS HB2 H 1 1.269 0.000 . 2 . . . . A 24 LYS HB2 . 31222 1
167 . 1 . 1 24 24 LYS HB3 H 1 0.360 0.001 . 2 . . . . A 24 LYS HB3 . 31222 1
168 . 1 . 1 24 24 LYS HG2 H 1 0.828 0.000 . 2 . . . . A 24 LYS HG2 . 31222 1
169 . 1 . 1 24 24 LYS HG3 H 1 0.621 0.002 . 2 . . . . A 24 LYS HG3 . 31222 1
170 . 1 . 1 24 24 LYS HD2 H 1 1.418 0.000 . 2 . . . . A 24 LYS HD2 . 31222 1
171 . 1 . 1 24 24 LYS HD3 H 1 1.418 0.000 . 2 . . . . A 24 LYS HD3 . 31222 1
172 . 1 . 1 24 24 LYS HE2 H 1 2.819 0.000 . 2 . . . . A 24 LYS HE2 . 31222 1
173 . 1 . 1 24 24 LYS HE3 H 1 2.748 0.001 . 2 . . . . A 24 LYS HE3 . 31222 1
174 . 1 . 1 25 25 GLN H H 1 7.636 0.001 . 1 . . . . A 25 GLN H . 31222 1
175 . 1 . 1 25 25 GLN HA H 1 3.412 0.001 . 1 . . . . A 25 GLN HA . 31222 1
176 . 1 . 1 25 25 GLN HB2 H 1 2.094 0.000 . 2 . . . . A 25 GLN HB2 . 31222 1
177 . 1 . 1 25 25 GLN HB3 H 1 1.958 0.000 . 2 . . . . A 25 GLN HB3 . 31222 1
178 . 1 . 1 25 25 GLN HG2 H 1 1.846 0.001 . 2 . . . . A 25 GLN HG2 . 31222 1
179 . 1 . 1 25 25 GLN HG3 H 1 1.029 0.000 . 2 . . . . A 25 GLN HG3 . 31222 1
180 . 1 . 1 25 25 GLN HE21 H 1 6.607 0.000 . 2 . . . . A 25 GLN HE21 . 31222 1
181 . 1 . 1 25 25 GLN HE22 H 1 7.385 0.000 . 2 . . . . A 25 GLN HE22 . 31222 1
182 . 1 . 1 26 26 GLN H H 1 8.247 0.001 . 1 . . . . A 26 GLN H . 31222 1
183 . 1 . 1 26 26 GLN HA H 1 4.045 0.002 . 1 . . . . A 26 GLN HA . 31222 1
184 . 1 . 1 26 26 GLN HB2 H 1 2.261 0.000 . 2 . . . . A 26 GLN HB2 . 31222 1
185 . 1 . 1 26 26 GLN HB3 H 1 2.087 0.003 . 2 . . . . A 26 GLN HB3 . 31222 1
186 . 1 . 1 26 26 GLN HG2 H 1 2.556 0.000 . 2 . . . . A 26 GLN HG2 . 31222 1
187 . 1 . 1 26 26 GLN HG3 H 1 2.450 0.000 . 2 . . . . A 26 GLN HG3 . 31222 1
188 . 1 . 1 26 26 GLN HE21 H 1 7.002 0.000 . 2 . . . . A 26 GLN HE21 . 31222 1
189 . 1 . 1 26 26 GLN HE22 H 1 7.510 0.000 . 2 . . . . A 26 GLN HE22 . 31222 1
190 . 1 . 1 27 27 ASN H H 1 7.954 0.001 . 1 . . . . A 27 ASN H . 31222 1
191 . 1 . 1 27 27 ASN HA H 1 4.523 0.000 . 1 . . . . A 27 ASN HA . 31222 1
192 . 1 . 1 27 27 ASN HB2 H 1 3.015 0.000 . 2 . . . . A 27 ASN HB2 . 31222 1
193 . 1 . 1 27 27 ASN HB3 H 1 2.981 0.011 . 2 . . . . A 27 ASN HB3 . 31222 1
194 . 1 . 1 27 27 ASN HD21 H 1 7.308 0.000 . 2 . . . . A 27 ASN HD21 . 31222 1
195 . 1 . 1 27 27 ASN HD22 H 1 7.904 0.000 . 2 . . . . A 27 ASN HD22 . 31222 1
196 . 1 . 1 28 28 LEU H H 1 8.403 0.000 . 1 . . . . A 28 LEU H . 31222 1
197 . 1 . 1 28 28 LEU HA H 1 4.285 0.001 . 1 . . . . A 28 LEU HA . 31222 1
198 . 1 . 1 28 28 LEU HB2 H 1 2.091 0.000 . 2 . . . . A 28 LEU HB2 . 31222 1
199 . 1 . 1 28 28 LEU HB3 H 1 1.715 0.000 . 2 . . . . A 28 LEU HB3 . 31222 1
200 . 1 . 1 28 28 LEU HG H 1 1.864 0.000 . 1 . . . . A 28 LEU HG . 31222 1
201 . 1 . 1 28 28 LEU HD11 H 1 0.932 0.000 . 2 . . . . A 28 LEU HD11 . 31222 1
202 . 1 . 1 28 28 LEU HD12 H 1 0.932 0.000 . 2 . . . . A 28 LEU HD12 . 31222 1
203 . 1 . 1 28 28 LEU HD13 H 1 0.932 0.000 . 2 . . . . A 28 LEU HD13 . 31222 1
204 . 1 . 1 28 28 LEU HD21 H 1 1.067 0.000 . 2 . . . . A 28 LEU HD21 . 31222 1
205 . 1 . 1 28 28 LEU HD22 H 1 1.067 0.000 . 2 . . . . A 28 LEU HD22 . 31222 1
206 . 1 . 1 28 28 LEU HD23 H 1 1.067 0.000 . 2 . . . . A 28 LEU HD23 . 31222 1
207 . 1 . 1 29 29 LYS H H 1 8.233 0.001 . 1 . . . . A 29 LYS H . 31222 1
208 . 1 . 1 29 29 LYS HA H 1 4.053 0.000 . 1 . . . . A 29 LYS HA . 31222 1
209 . 1 . 1 29 29 LYS HB2 H 1 2.043 0.000 . 2 . . . . A 29 LYS HB2 . 31222 1
210 . 1 . 1 29 29 LYS HB3 H 1 1.417 0.000 . 2 . . . . A 29 LYS HB3 . 31222 1
211 . 1 . 1 29 29 LYS HG2 H 1 1.963 0.000 . 2 . . . . A 29 LYS HG2 . 31222 1
212 . 1 . 1 29 29 LYS HG3 H 1 1.885 0.000 . 2 . . . . A 29 LYS HG3 . 31222 1
213 . 1 . 1 29 29 LYS HD2 H 1 1.782 0.000 . 2 . . . . A 29 LYS HD2 . 31222 1
214 . 1 . 1 29 29 LYS HD3 H 1 1.782 0.000 . 2 . . . . A 29 LYS HD3 . 31222 1
215 . 1 . 1 29 29 LYS HE2 H 1 2.904 0.000 . 2 . . . . A 29 LYS HE2 . 31222 1
216 . 1 . 1 29 29 LYS HE3 H 1 2.904 0.000 . 2 . . . . A 29 LYS HE3 . 31222 1
217 . 1 . 1 30 30 LYS H H 1 8.079 0.001 . 1 . . . . A 30 LYS H . 31222 1
218 . 1 . 1 30 30 LYS HA H 1 4.134 0.002 . 1 . . . . A 30 LYS HA . 31222 1
219 . 1 . 1 30 30 LYS HB2 H 1 2.032 0.000 . 2 . . . . A 30 LYS HB2 . 31222 1
220 . 1 . 1 30 30 LYS HB3 H 1 2.032 0.000 . 2 . . . . A 30 LYS HB3 . 31222 1
221 . 1 . 1 30 30 LYS HG2 H 1 1.559 0.000 . 2 . . . . A 30 LYS HG2 . 31222 1
222 . 1 . 1 30 30 LYS HG3 H 1 1.437 0.000 . 2 . . . . A 30 LYS HG3 . 31222 1
223 . 1 . 1 30 30 LYS HD2 H 1 1.718 0.000 . 2 . . . . A 30 LYS HD2 . 31222 1
224 . 1 . 1 30 30 LYS HD3 H 1 1.718 0.000 . 2 . . . . A 30 LYS HD3 . 31222 1
225 . 1 . 1 30 30 LYS HE2 H 1 2.909 0.000 . 2 . . . . A 30 LYS HE2 . 31222 1
226 . 1 . 1 30 30 LYS HE3 H 1 2.909 0.000 . 2 . . . . A 30 LYS HE3 . 31222 1
227 . 1 . 1 31 31 GLU H H 1 8.356 0.000 . 1 . . . . A 31 GLU H . 31222 1
228 . 1 . 1 31 31 GLU HA H 1 4.112 0.002 . 1 . . . . A 31 GLU HA . 31222 1
229 . 1 . 1 31 31 GLU HB2 H 1 2.191 0.002 . 2 . . . . A 31 GLU HB2 . 31222 1
230 . 1 . 1 31 31 GLU HG2 H 1 2.335 0.000 . 2 . . . . A 31 GLU HG2 . 31222 1
231 . 1 . 1 32 32 LYS H H 1 7.842 0.001 . 1 . . . . A 32 LYS H . 31222 1
232 . 1 . 1 32 32 LYS HA H 1 4.356 0.001 . 1 . . . . A 32 LYS HA . 31222 1
233 . 1 . 1 32 32 LYS HB2 H 1 1.662 0.004 . 2 . . . . A 32 LYS HB2 . 31222 1
234 . 1 . 1 32 32 LYS HB3 H 1 1.662 0.004 . 2 . . . . A 32 LYS HB3 . 31222 1
235 . 1 . 1 32 32 LYS HG2 H 1 1.519 0.000 . 2 . . . . A 32 LYS HG2 . 31222 1
236 . 1 . 1 32 32 LYS HG3 H 1 1.062 0.002 . 2 . . . . A 32 LYS HG3 . 31222 1
237 . 1 . 1 32 32 LYS HD2 H 1 1.405 0.002 . 2 . . . . A 32 LYS HD2 . 31222 1
238 . 1 . 1 32 32 LYS HD3 H 1 1.405 0.002 . 2 . . . . A 32 LYS HD3 . 31222 1
239 . 1 . 1 32 32 LYS HE2 H 1 2.828 0.000 . 2 . . . . A 32 LYS HE2 . 31222 1
240 . 1 . 1 32 32 LYS HE3 H 1 2.828 0.000 . 2 . . . . A 32 LYS HE3 . 31222 1
241 . 1 . 1 33 33 GLY H H 1 7.844 0.000 . 1 . . . . A 33 GLY H . 31222 1
242 . 1 . 1 33 33 GLY HA2 H 1 3.868 0.000 . 2 . . . . A 33 GLY HA2 . 31222 1
243 . 1 . 1 34 34 LEU H H 1 8.030 0.002 . 1 . . . . A 34 LEU H . 31222 1
244 . 1 . 1 34 34 LEU HA H 1 4.357 0.000 . 1 . . . . A 34 LEU HA . 31222 1
245 . 1 . 1 34 34 LEU HB2 H 1 1.536 0.000 . 2 . . . . A 34 LEU HB2 . 31222 1
246 . 1 . 1 34 34 LEU HB3 H 1 1.412 0.000 . 2 . . . . A 34 LEU HB3 . 31222 1
247 . 1 . 1 34 34 LEU HG H 1 1.471 0.000 . 1 . . . . A 34 LEU HG . 31222 1
248 . 1 . 1 34 34 LEU HD11 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD11 . 31222 1
249 . 1 . 1 34 34 LEU HD12 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD12 . 31222 1
250 . 1 . 1 34 34 LEU HD13 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD13 . 31222 1
251 . 1 . 1 34 34 LEU HD21 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD21 . 31222 1
252 . 1 . 1 34 34 LEU HD22 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD22 . 31222 1
253 . 1 . 1 34 34 LEU HD23 H 1 0.795 0.000 . 2 . . . . A 34 LEU HD23 . 31222 1
254 . 1 . 1 35 35 PHE H H 1 8.125 0.001 . 1 . . . . A 35 PHE H . 31222 1
255 . 1 . 1 35 35 PHE HA H 1 4.572 0.000 . 1 . . . . A 35 PHE HA . 31222 1
256 . 1 . 1 35 35 PHE HB2 H 1 3.190 0.001 . 2 . . . . A 35 PHE HB2 . 31222 1
257 . 1 . 1 35 35 PHE HB3 H 1 2.954 0.003 . 2 . . . . A 35 PHE HB3 . 31222 1
258 . 1 . 1 35 35 PHE HD1 H 1 7.262 0.002 . 3 . . . . A 35 PHE HD1 . 31222 1
259 . 1 . 1 35 35 PHE HD2 H 1 7.262 0.002 . 3 . . . . A 35 PHE HD2 . 31222 1
260 . 1 . 1 35 35 PHE HE1 H 1 7.368 0.000 . 3 . . . . A 35 PHE HE1 . 31222 1
261 . 1 . 1 35 35 PHE HE2 H 1 7.368 0.000 . 3 . . . . A 35 PHE HE2 . 31222 1
262 . 1 . 1 35 35 PHE HZ H 1 7.325 0.000 . 1 . . . . A 35 PHE HZ . 31222 1
263 . 1 . 1 36 36 NH2 HN1 H 1 7.158 0.000 . 2 . . . . A 36 NH2 HN1 . 31222 1
264 . 1 . 1 36 36 NH2 HN2 H 1 7.447 0.000 . 2 . . . . A 36 NH2 HN2 . 31222 1
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