###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7289
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0
_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 1H chemical shifts'
_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 '1D 1H' 1 $sample_1 isotropic 7289 1
2 '2D 1H,1H COSY' 1 $sample_1 isotropic 7289 1
3 '2D 1H,1H TOCSY' 1 $sample_1 isotropic 7289 1
4 '2D 1H,1H NOESY' 1 $sample_1 isotropic 7289 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
1 $software_1 . . 7289 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 MET HA H 1 4.234 0 . 1 . . . . 1 MET HA . 7289 1
2 . 1 1 1 1 MET HB2 H 1 2.239 0 . 1 . . . . 1 MET HB2 . 7289 1
3 . 1 1 1 1 MET HB3 H 1 2.239 0 . 1 . . . . 1 MET HB3 . 7289 1
4 . 1 1 1 1 MET HG2 H 1 2.688 0 . 1 . . . . 1 MET HG2 . 7289 1
5 . 1 1 1 1 MET HG3 H 1 2.688 0 . 1 . . . . 1 MET HG3 . 7289 1
6 . 1 1 1 1 MET HE1 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1
7 . 1 1 1 1 MET HE2 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1
8 . 1 1 1 1 MET HE3 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1
9 . 1 1 2 2 GLY H H 1 8.665 0 . 1 . . . . 2 GLY H . 7289 1
10 . 1 1 2 2 GLY HA2 H 1 4.006 0 . 2 . . . . 2 GLY HA2 . 7289 1
11 . 1 1 2 2 GLY HA3 H 1 4.152 0 . 2 . . . . 2 GLY HA3 . 7289 1
12 . 1 1 3 3 GLN H H 1 8.389 0 . 1 . . . . 3 GLN H . 7289 1
13 . 1 1 3 3 GLN HA H 1 4.408 0 . 1 . . . . 3 GLN HA . 7289 1
14 . 1 1 3 3 GLN HB2 H 1 2.035 0 . 2 . . . . 3 GLN HB2 . 7289 1
15 . 1 1 3 3 GLN HB3 H 1 2.189 0 . 2 . . . . 3 GLN HB3 . 7289 1
16 . 1 1 3 3 GLN HG2 H 1 2.407 0 . 1 . . . . 3 GLN HG2 . 7289 1
17 . 1 1 3 3 GLN HG3 H 1 2.407 0 . 1 . . . . 3 GLN HG3 . 7289 1
18 . 1 1 3 3 GLN HE21 H 1 6.673 0 . 2 . . . . 3 GLN HE21 . 7289 1
19 . 1 1 3 3 GLN HE22 H 1 7.372 0 . 2 . . . . 3 GLN HE22 . 7289 1
20 . 1 1 4 4 GLU H H 1 8.432 0 . 1 . . . . 4 GLU H . 7289 1
21 . 1 1 4 4 GLU HA H 1 4.337 0 . 1 . . . . 4 GLU HA . 7289 1
22 . 1 1 4 4 GLU HB2 H 1 2.089 0 . 2 . . . . 4 GLU HB2 . 7289 1
23 . 1 1 4 4 GLU HB3 H 1 2.176 0 . 2 . . . . 4 GLU HB3 . 7289 1
24 . 1 1 4 4 GLU HG2 H 1 2.535 0 . 1 . . . . 4 GLU HG2 . 7289 1
25 . 1 1 4 4 GLU HG3 H 1 2.535 0 . 1 . . . . 4 GLU HG3 . 7289 1
26 . 1 1 5 5 GLN H H 1 8.438 0 . 1 . . . . 5 GLN H . 7289 1
27 . 1 1 5 5 GLN HA H 1 4.395 0 . 1 . . . . 5 GLN HA . 7289 1
28 . 1 1 5 5 GLN HB2 H 1 2.087 0 . 2 . . . . 5 GLN HB2 . 7289 1
29 . 1 1 5 5 GLN HB3 H 1 2.195 0 . 2 . . . . 5 GLN HB3 . 7289 1
30 . 1 1 5 5 GLN HG2 H 1 2.423 0 . 1 . . . . 5 GLN HG2 . 7289 1
31 . 1 1 5 5 GLN HG3 H 1 2.423 0 . 1 . . . . 5 GLN HG3 . 7289 1
32 . 1 1 5 5 GLN HE21 H 1 6.682 0 . 2 . . . . 5 GLN HE21 . 7289 1
33 . 1 1 5 5 GLN HE22 H 1 7.379 0 . 2 . . . . 5 GLN HE22 . 7289 1
34 . 1 1 6 6 ASP H H 1 8.279 0 . 1 . . . . 6 ASP H . 7289 1
35 . 1 1 6 6 ASP HA H 1 4.908 0 . 1 . . . . 6 ASP HA . 7289 1
36 . 1 1 6 6 ASP HB2 H 1 2.968 0 . 2 . . . . 6 ASP HB2 . 7289 1
37 . 1 1 6 6 ASP HB3 H 1 3.017 0 . 2 . . . . 6 ASP HB3 . 7289 1
38 . 1 1 7 7 THR H H 1 7.91 0 . 1 . . . . 7 THR H . 7289 1
39 . 1 1 7 7 THR HA H 1 4.29 0 . 1 . . . . 7 THR HA . 7289 1
40 . 1 1 7 7 THR HB H 1 4.126 0 . 1 . . . . 7 THR HB . 7289 1
41 . 1 1 7 7 THR HG21 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1
42 . 1 1 7 7 THR HG22 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1
43 . 1 1 7 7 THR HG23 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1
44 . 1 1 8 8 PRO HA H 1 4.348 0 . 1 . . . . 8 PRO HA . 7289 1
45 . 1 1 8 8 PRO HB2 H 1 1.87 0 . 2 . . . . 8 PRO HB2 . 7289 1
46 . 1 1 8 8 PRO HB3 H 1 2.33 0 . 2 . . . . 8 PRO HB3 . 7289 1
47 . 1 1 8 8 PRO HG2 H 1 2.007 0 . 2 . . . . 8 PRO HG2 . 7289 1
48 . 1 1 8 8 PRO HG3 H 1 2.083 0 . 2 . . . . 8 PRO HG3 . 7289 1
49 . 1 1 8 8 PRO HD2 H 1 3.72 0 . 2 . . . . 8 PRO HD2 . 7289 1
50 . 1 1 8 8 PRO HD3 H 1 3.764 0 . 2 . . . . 8 PRO HD3 . 7289 1
51 . 1 1 9 9 TRP H H 1 7.595 0 . 1 . . . . 9 TRP H . 7289 1
52 . 1 1 9 9 TRP HA H 1 4.465 0 . 1 . . . . 9 TRP HA . 7289 1
53 . 1 1 9 9 TRP HB2 H 1 3.412 0 . 1 . . . . 9 TRP HB2 . 7289 1
54 . 1 1 9 9 TRP HB3 H 1 3.412 0 . 1 . . . . 9 TRP HB3 . 7289 1
55 . 1 1 9 9 TRP HD1 H 1 7.255 0 . 1 . . . . 9 TRP HD1 . 7289 1
56 . 1 1 9 9 TRP HE1 H 1 9.828 0 . 1 . . . . 9 TRP HE1 . 7289 1
57 . 1 1 9 9 TRP HE3 H 1 7.557 0 . 1 . . . . 9 TRP HE3 . 7289 1
58 . 1 1 9 9 TRP HZ2 H 1 7.487 0 . 1 . . . . 9 TRP HZ2 . 7289 1
59 . 1 1 9 9 TRP HZ3 H 1 7.142 0 . 1 . . . . 9 TRP HZ3 . 7289 1
60 . 1 1 9 9 TRP HH2 H 1 7.237 0 . 1 . . . . 9 TRP HH2 . 7289 1
61 . 1 1 10 10 ILE H H 1 7.689 0 . 1 . . . . 10 ILE H . 7289 1
62 . 1 1 10 10 ILE HA H 1 3.729 0 . 1 . . . . 10 ILE HA . 7289 1
63 . 1 1 10 10 ILE HB H 1 1.881 0 . 1 . . . . 10 ILE HB . 7289 1
64 . 1 1 10 10 ILE HG12 H 1 1.211 0 . 2 . . . . 10 ILE HG12 . 7289 1
65 . 1 1 10 10 ILE HG13 H 1 1.605 0 . 2 . . . . 10 ILE HG13 . 7289 1
66 . 1 1 10 10 ILE HG21 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1
67 . 1 1 10 10 ILE HG22 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1
68 . 1 1 10 10 ILE HG23 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1
69 . 1 1 10 10 ILE HD11 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1
70 . 1 1 10 10 ILE HD12 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1
71 . 1 1 10 10 ILE HD13 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1
72 . 1 1 11 11 LEU H H 1 7.998 0 . 1 . . . . 11 LEU H . 7289 1
73 . 1 1 11 11 LEU HA H 1 4.23 0 . 1 . . . . 11 LEU HA . 7289 1
74 . 1 1 11 11 LEU HB2 H 1 1.75 0 . 2 . . . . 11 LEU HB2 . 7289 1
75 . 1 1 11 11 LEU HB3 H 1 1.818 0 . 2 . . . . 11 LEU HB3 . 7289 1
76 . 1 1 11 11 LEU HG H 1 1.573 0 . 1 . . . . 11 LEU HG . 7289 1
77 . 1 1 11 11 LEU HD11 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1
78 . 1 1 11 11 LEU HD12 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1
79 . 1 1 11 11 LEU HD13 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1
80 . 1 1 11 11 LEU HD21 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1
81 . 1 1 11 11 LEU HD22 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1
82 . 1 1 11 11 LEU HD23 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1
83 . 1 1 12 12 SER H H 1 8.05 0 . 1 . . . . 12 SER H . 7289 1
84 . 1 1 12 12 SER HA H 1 4.349 0 . 1 . . . . 12 SER HA . 7289 1
85 . 1 1 12 12 SER HB2 H 1 3.961 0 . 2 . . . . 12 SER HB2 . 7289 1
86 . 1 1 12 12 SER HB3 H 1 4.046 0 . 2 . . . . 12 SER HB3 . 7289 1
87 . 1 1 13 13 THR H H 1 7.969 0 . 1 . . . . 13 THR H . 7289 1
88 . 1 1 13 13 THR HA H 1 4.091 0 . 1 . . . . 13 THR HA . 7289 1
89 . 1 1 13 13 THR HB H 1 4.151 0 . 1 . . . . 13 THR HB . 7289 1
90 . 1 1 13 13 THR HG21 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1
91 . 1 1 13 13 THR HG22 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1
92 . 1 1 13 13 THR HG23 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1
93 . 1 1 14 14 GLY H H 1 8.273 0 . 1 . . . . 14 GLY H . 7289 1
94 . 1 1 14 14 GLY HA2 H 1 3.924 0 . 1 . . . . 14 GLY HA2 . 7289 1
95 . 1 1 14 14 GLY HA3 H 1 3.924 0 . 1 . . . . 14 GLY HA3 . 7289 1
96 . 1 1 15 15 HIS H H 1 8.173 0 . 1 . . . . 15 HIS H . 7289 1
97 . 1 1 15 15 HIS HA H 1 4.604 0 . 1 . . . . 15 HIS HA . 7289 1
98 . 1 1 15 15 HIS HB2 H 1 3.318 0 . 2 . . . . 15 HIS HB2 . 7289 1
99 . 1 1 15 15 HIS HB3 H 1 3.403 0 . 2 . . . . 15 HIS HB3 . 7289 1
100 . 1 1 15 15 HIS HD2 H 1 7.309 0 . 1 . . . . 15 HIS HD2 . 7289 1
101 . 1 1 15 15 HIS HE1 H 1 8.541 0 . 1 . . . . 15 HIS HE1 . 7289 1
102 . 1 1 16 16 ILE H H 1 8.168 0 . 1 . . . . 16 ILE H . 7289 1
103 . 1 1 16 16 ILE HA H 1 3.997 0 . 1 . . . . 16 ILE HA . 7289 1
104 . 1 1 16 16 ILE HB H 1 1.944 0 . 1 . . . . 16 ILE HB . 7289 1
105 . 1 1 16 16 ILE HG12 H 1 1.233 0 . 2 . . . . 16 ILE HG12 . 7289 1
106 . 1 1 16 16 ILE HG13 H 1 1.655 0 . 2 . . . . 16 ILE HG13 . 7289 1
107 . 1 1 16 16 ILE HG21 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1
108 . 1 1 16 16 ILE HG22 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1
109 . 1 1 16 16 ILE HG23 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1
110 . 1 1 16 16 ILE HD11 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1
111 . 1 1 16 16 ILE HD12 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1
112 . 1 1 16 16 ILE HD13 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1
113 . 1 1 17 17 SER H H 1 8.269 0 . 1 . . . . 17 SER H . 7289 1
114 . 1 1 17 17 SER HA H 1 4.35 0 . 1 . . . . 17 SER HA . 7289 1
115 . 1 1 17 17 SER HB2 H 1 3.972 0 . 2 . . . . 17 SER HB2 . 7289 1
116 . 1 1 17 17 SER HB3 H 1 4.046 0 . 2 . . . . 17 SER HB3 . 7289 1
117 . 1 1 18 18 THR H H 1 7.945 0 . 1 . . . . 18 THR H . 7289 1
118 . 1 1 18 18 THR HA H 1 4.195 0 . 1 . . . . 18 THR HA . 7289 1
119 . 1 1 18 18 THR HB H 1 4.364 0 . 1 . . . . 18 THR HB . 7289 1
120 . 1 1 18 18 THR HG21 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1
121 . 1 1 18 18 THR HG22 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1
122 . 1 1 18 18 THR HG23 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1
123 . 1 1 19 19 GLN H H 1 8.056 0 . 1 . . . . 19 GLN H . 7289 1
124 . 1 1 19 19 GLN HA H 1 4.219 0 . 1 . . . . 19 GLN HA . 7289 1
125 . 1 1 19 19 GLN HB2 H 1 2.126 0 . 2 . . . . 19 GLN HB2 . 7289 1
126 . 1 1 19 19 GLN HB3 H 1 2.183 0 . 2 . . . . 19 GLN HB3 . 7289 1
127 . 1 1 19 19 GLN HG2 H 1 2.412 0 . 1 . . . . 19 GLN HG2 . 7289 1
128 . 1 1 19 19 GLN HG3 H 1 2.412 0 . 1 . . . . 19 GLN HG3 . 7289 1
129 . 1 1 19 19 GLN HE21 H 1 6.671 0 . 2 . . . . 19 GLN HE21 . 7289 1
130 . 1 1 19 19 GLN HE22 H 1 7.32 0 . 2 . . . . 19 GLN HE22 . 7289 1
131 . 1 1 20 20 LYS H H 1 8.232 0 . 1 . . . . 20 LYS H . 7289 1
132 . 1 1 20 20 LYS HA H 1 4.243 0 . 1 . . . . 20 LYS HA . 7289 1
133 . 1 1 20 20 LYS HB2 H 1 1.919 0 . 1 . . . . 20 LYS HB2 . 7289 1
134 . 1 1 20 20 LYS HB3 H 1 1.919 0 . 1 . . . . 20 LYS HB3 . 7289 1
135 . 1 1 20 20 LYS HG2 H 1 1.506 0 . 2 . . . . 20 LYS HG2 . 7289 1
136 . 1 1 20 20 LYS HG3 H 1 1.593 0 . 2 . . . . 20 LYS HG3 . 7289 1
137 . 1 1 20 20 LYS HD2 H 1 1.736 0 . 1 . . . . 20 LYS HD2 . 7289 1
138 . 1 1 20 20 LYS HD3 H 1 1.736 0 . 1 . . . . 20 LYS HD3 . 7289 1
139 . 1 1 20 20 LYS HE2 H 1 3.023 0 . 1 . . . . 20 LYS HE2 . 7289 1
140 . 1 1 20 20 LYS HE3 H 1 3.023 0 . 1 . . . . 20 LYS HE3 . 7289 1
141 . 1 1 20 20 LYS HZ1 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1
142 . 1 1 20 20 LYS HZ2 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1
143 . 1 1 20 20 LYS HZ3 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1
144 . 1 1 21 21 ARG H H 1 8.027 0 . 1 . . . . 21 ARG H . 7289 1
145 . 1 1 21 21 ARG HA H 1 4.288 0 . 1 . . . . 21 ARG HA . 7289 1
146 . 1 1 21 21 ARG HB2 H 1 1.93 0 . 2 . . . . 21 ARG HB2 . 7289 1
147 . 1 1 21 21 ARG HB3 H 1 1.965 0 . 2 . . . . 21 ARG HB3 . 7289 1
148 . 1 1 21 21 ARG HG2 H 1 1.692 0 . 2 . . . . 21 ARG HG2 . 7289 1
149 . 1 1 21 21 ARG HG3 H 1 1.792 0 . 2 . . . . 21 ARG HG3 . 7289 1
150 . 1 1 21 21 ARG HD2 H 1 3.248 0 . 1 . . . . 21 ARG HD2 . 7289 1
151 . 1 1 21 21 ARG HD3 H 1 3.248 0 . 1 . . . . 21 ARG HD3 . 7289 1
152 . 1 1 21 21 ARG HE H 1 7.204 0 . 1 . . . . 21 ARG HE . 7289 1
153 . 1 1 22 22 GLN H H 1 8.255 0 . 1 . . . . 22 GLN H . 7289 1
154 . 1 1 22 22 GLN HA H 1 4.324 0 . 1 . . . . 22 GLN HA . 7289 1
155 . 1 1 22 22 GLN HB2 H 1 2.126 0 . 2 . . . . 22 GLN HB2 . 7289 1
156 . 1 1 22 22 GLN HB3 H 1 2.195 0 . 2 . . . . 22 GLN HB3 . 7289 1
157 . 1 1 22 22 GLN HG2 H 1 2.44 0 . 2 . . . . 22 GLN HG2 . 7289 1
158 . 1 1 22 22 GLN HG3 H 1 2.481 0 . 2 . . . . 22 GLN HG3 . 7289 1
159 . 1 1 22 22 GLN HE21 H 1 6.647 0 . 2 . . . . 22 GLN HE21 . 7289 1
160 . 1 1 22 22 GLN HE22 H 1 7.326 0 . 2 . . . . 22 GLN HE22 . 7289 1
161 . 1 1 23 23 ASP H H 1 8.372 0 . 1 . . . . 23 ASP H . 7289 1
162 . 1 1 23 23 ASP HA H 1 4.757 0 . 1 . . . . 23 ASP HA . 7289 1
163 . 1 1 23 23 ASP HB2 H 1 2.993 0 . 1 . . . . 23 ASP HB2 . 7289 1
164 . 1 1 23 23 ASP HB3 H 1 2.993 0 . 1 . . . . 23 ASP HB3 . 7289 1
165 . 1 1 24 24 GLY H H 1 8.267 0 . 1 . . . . 24 GLY H . 7289 1
166 . 1 1 24 24 GLY HA2 H 1 4.026 0 . 1 . . . . 24 GLY HA2 . 7289 1
167 . 1 1 24 24 GLY HA3 H 1 4.026 0 . 1 . . . . 24 GLY HA3 . 7289 1
168 . 1 1 25 25 GLN H H 1 8.082 0 . 1 . . . . 25 GLN H . 7289 1
169 . 1 1 25 25 GLN HA H 1 4.387 0 . 1 . . . . 25 GLN HA . 7289 1
170 . 1 1 25 25 GLN HB2 H 1 2.111 0 . 2 . . . . 25 GLN HB2 . 7289 1
171 . 1 1 25 25 GLN HB3 H 1 2.218 0 . 2 . . . . 25 GLN HB3 . 7289 1
172 . 1 1 25 25 GLN HG2 H 1 2.446 0 . 1 . . . . 25 GLN HG2 . 7289 1
173 . 1 1 25 25 GLN HG3 H 1 2.446 0 . 1 . . . . 25 GLN HG3 . 7289 1
174 . 1 1 25 25 GLN HE21 H 1 6.692 0 . 2 . . . . 25 GLN HE21 . 7289 1
175 . 1 1 25 25 GLN HE22 H 1 7.387 0 . 2 . . . . 25 GLN HE22 . 7289 1
176 . 1 1 26 26 GLN H H 1 8.29 0 . 1 . . . . 26 GLN H . 7289 1
177 . 1 1 26 26 GLN HA H 1 4.488 0 . 1 . . . . 26 GLN HA . 7289 1
178 . 1 1 26 26 GLN HB2 H 1 2.065 0 . 2 . . . . 26 GLN HB2 . 7289 1
179 . 1 1 26 26 GLN HB3 H 1 2.22 0 . 2 . . . . 26 GLN HB3 . 7289 1
180 . 1 1 26 26 GLN HG2 H 1 2.447 0 . 1 . . . . 26 GLN HG2 . 7289 1
181 . 1 1 26 26 GLN HG3 H 1 2.447 0 . 1 . . . . 26 GLN HG3 . 7289 1
182 . 1 1 26 26 GLN HE21 H 1 6.684 0 . 2 . . . . 26 GLN HE21 . 7289 1
183 . 1 1 26 26 GLN HE22 H 1 7.439 0 . 2 . . . . 26 GLN HE22 . 7289 1
184 . 1 1 27 27 THR H H 1 7.951 0 . 1 . . . . 27 THR H . 7289 1
185 . 1 1 27 27 THR HA H 1 4.57 0 . 1 . . . . 27 THR HA . 7289 1
186 . 1 1 27 27 THR HB H 1 4.312 0 . 1 . . . . 27 THR HB . 7289 1
187 . 1 1 27 27 THR HG21 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1
188 . 1 1 27 27 THR HG22 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1
189 . 1 1 27 27 THR HG23 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1
190 . 1 1 28 28 PRO HA H 1 4.442 0 . 1 . . . . 28 PRO HA . 7289 1
191 . 1 1 28 28 PRO HB2 H 1 1.926 0 . 2 . . . . 28 PRO HB2 . 7289 1
192 . 1 1 28 28 PRO HB3 H 1 2.364 0 . 2 . . . . 28 PRO HB3 . 7289 1
193 . 1 1 28 28 PRO HG2 H 1 2.043 0 . 2 . . . . 28 PRO HG2 . 7289 1
194 . 1 1 28 28 PRO HG3 H 1 2.114 0 . 2 . . . . 28 PRO HG3 . 7289 1
195 . 1 1 28 28 PRO HD2 H 1 3.738 0 . 2 . . . . 28 PRO HD2 . 7289 1
196 . 1 1 28 28 PRO HD3 H 1 3.859 0 . 2 . . . . 28 PRO HD3 . 7289 1
197 . 1 1 29 29 LYS H H 1 7.984 0 . 1 . . . . 29 LYS H . 7289 1
198 . 1 1 29 29 LYS HA H 1 4.278 0 . 1 . . . . 29 LYS HA . 7289 1
199 . 1 1 29 29 LYS HB2 H 1 1.887 0 . 1 . . . . 29 LYS HB2 . 7289 1
200 . 1 1 29 29 LYS HB3 H 1 1.887 0 . 1 . . . . 29 LYS HB3 . 7289 1
201 . 1 1 29 29 LYS HG2 H 1 1.479 0 . 2 . . . . 29 LYS HG2 . 7289 1
202 . 1 1 29 29 LYS HG3 H 1 1.575 0 . 2 . . . . 29 LYS HG3 . 7289 1
203 . 1 1 29 29 LYS HD2 H 1 1.755 0 . 1 . . . . 29 LYS HD2 . 7289 1
204 . 1 1 29 29 LYS HD3 H 1 1.755 0 . 1 . . . . 29 LYS HD3 . 7289 1
205 . 1 1 29 29 LYS HE2 H 1 3.049 0 . 1 . . . . 29 LYS HE2 . 7289 1
206 . 1 1 29 29 LYS HE3 H 1 3.049 0 . 1 . . . . 29 LYS HE3 . 7289 1
207 . 1 1 29 29 LYS HZ1 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1
208 . 1 1 29 29 LYS HZ2 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1
209 . 1 1 29 29 LYS HZ3 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1
210 . 1 1 30 30 LEU H H 1 7.84 0 . 1 . . . . 30 LEU H . 7289 1
211 . 1 1 30 30 LEU HA H 1 4.324 0 . 1 . . . . 30 LEU HA . 7289 1
212 . 1 1 30 30 LEU HB2 H 1 1.658 0 . 2 . . . . 30 LEU HB2 . 7289 1
213 . 1 1 30 30 LEU HB3 H 1 1.731 0 . 2 . . . . 30 LEU HB3 . 7289 1
214 . 1 1 30 30 LEU HG H 1 1.658 0 . 1 . . . . 30 LEU HG . 7289 1
215 . 1 1 30 30 LEU HD11 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1
216 . 1 1 30 30 LEU HD12 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1
217 . 1 1 30 30 LEU HD13 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1
218 . 1 1 30 30 LEU HD21 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1
219 . 1 1 30 30 LEU HD22 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1
220 . 1 1 30 30 LEU HD23 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1
221 . 1 1 31 31 GLU H H 1 8.056 0 . 1 . . . . 31 GLU H . 7289 1
222 . 1 1 31 31 GLU HA H 1 4.324 0 . 1 . . . . 31 GLU HA . 7289 1
223 . 1 1 31 31 GLU HB2 H 1 2.11 0 . 2 . . . . 31 GLU HB2 . 7289 1
224 . 1 1 31 31 GLU HB3 H 1 2.203 0 . 2 . . . . 31 GLU HB3 . 7289 1
225 . 1 1 31 31 GLU HG2 H 1 2.47 0 . 1 . . . . 31 GLU HG2 . 7289 1
226 . 1 1 31 31 GLU HG3 H 1 2.47 0 . 1 . . . . 31 GLU HG3 . 7289 1
227 . 1 1 32 32 HIS H H 1 8.29 0 . 1 . . . . 32 HIS H . 7289 1
228 . 1 1 32 32 HIS HA H 1 4.686 0 . 1 . . . . 32 HIS HA . 7289 1
229 . 1 1 32 32 HIS HB2 H 1 3.259 0 . 2 . . . . 32 HIS HB2 . 7289 1
230 . 1 1 32 32 HIS HB3 H 1 3.38 0 . 2 . . . . 32 HIS HB3 . 7289 1
231 . 1 1 32 32 HIS HD2 H 1 7.343 0 . 1 . . . . 32 HIS HD2 . 7289 1
232 . 1 1 32 32 HIS HE1 H 1 8.588 0 . 1 . . . . 32 HIS HE1 . 7289 1
233 . 1 1 33 33 ARG H H 1 8.262 0 . 1 . . . . 33 ARG H . 7289 1
234 . 1 1 33 33 ARG HA H 1 4.351 0 . 1 . . . . 33 ARG HA . 7289 1
235 . 1 1 33 33 ARG HB2 H 1 1.883 0 . 2 . . . . 33 ARG HB2 . 7289 1
236 . 1 1 33 33 ARG HB3 H 1 1.955 0 . 2 . . . . 33 ARG HB3 . 7289 1
237 . 1 1 33 33 ARG HG2 H 1 1.69 0 . 2 . . . . 33 ARG HG2 . 7289 1
238 . 1 1 33 33 ARG HG3 H 1 1.736 0 . 2 . . . . 33 ARG HG3 . 7289 1
239 . 1 1 33 33 ARG HD2 H 1 3.237 0 . 1 . . . . 33 ARG HD2 . 7289 1
240 . 1 1 33 33 ARG HD3 H 1 3.237 0 . 1 . . . . 33 ARG HD3 . 7289 1
241 . 1 1 33 33 ARG HE H 1 7.194 0 . 1 . . . . 33 ARG HE . 7289 1
242 . 1 1 34 34 ASN H H 1 8.466 0 . 1 . . . . 34 ASN H . 7289 1
243 . 1 1 34 34 ASN HA H 1 4.779 0 . 1 . . . . 34 ASN HA . 7289 1
244 . 1 1 34 34 ASN HB2 H 1 2.866 0 . 2 . . . . 34 ASN HB2 . 7289 1
245 . 1 1 34 34 ASN HB3 H 1 2.908 0 . 2 . . . . 34 ASN HB3 . 7289 1
246 . 1 1 34 34 ASN HD21 H 1 6.771 0 . 2 . . . . 34 ASN HD21 . 7289 1
247 . 1 1 34 34 ASN HD22 H 1 7.507 0 . 2 . . . . 34 ASN HD22 . 7289 1
248 . 1 1 35 35 SER H H 1 8.214 0 . 1 . . . . 35 SER H . 7289 1
249 . 1 1 35 35 SER HA H 1 4.511 0 . 1 . . . . 35 SER HA . 7289 1
250 . 1 1 35 35 SER HB2 H 1 3.936 0 . 2 . . . . 35 SER HB2 . 7289 1
251 . 1 1 35 35 SER HB3 H 1 4.034 0 . 2 . . . . 35 SER HB3 . 7289 1
252 . 1 1 36 36 THR H H 1 8.028 0 . 1 . . . . 36 THR H . 7289 1
253 . 1 1 36 36 THR HA H 1 4.337 0 . 1 . . . . 36 THR HA . 7289 1
254 . 1 1 36 36 THR HB H 1 4.337 0 . 1 . . . . 36 THR HB . 7289 1
255 . 1 1 36 36 THR HG21 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1
256 . 1 1 36 36 THR HG22 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1
257 . 1 1 36 36 THR HG23 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1
258 . 1 1 37 37 ARG H H 1 8.074 0 . 1 . . . . 37 ARG H . 7289 1
259 . 1 1 37 37 ARG HA H 1 4.361 0 . 1 . . . . 37 ARG HA . 7289 1
260 . 1 1 37 37 ARG HB2 H 1 1.846 0 . 2 . . . . 37 ARG HB2 . 7289 1
261 . 1 1 37 37 ARG HB3 H 1 1.942 0 . 2 . . . . 37 ARG HB3 . 7289 1
262 . 1 1 37 37 ARG HG2 H 1 1.702 0 . 1 . . . . 37 ARG HG2 . 7289 1
263 . 1 1 37 37 ARG HG3 H 1 1.702 0 . 1 . . . . 37 ARG HG3 . 7289 1
264 . 1 1 37 37 ARG HD2 H 1 3.237 0 . 1 . . . . 37 ARG HD2 . 7289 1
265 . 1 1 37 37 ARG HD3 H 1 3.237 0 . 1 . . . . 37 ARG HD3 . 7289 1
266 . 1 1 37 37 ARG HE H 1 7.187 0 . 1 . . . . 37 ARG HE . 7289 1
267 . 1 1 38 38 LEU H H 1 7.957 0 . 1 . . . . 38 LEU H . 7289 1
268 . 1 1 38 38 LEU HA H 1 4.359 0 . 1 . . . . 38 LEU HA . 7289 1
269 . 1 1 38 38 LEU HB2 H 1 1.729 0 . 1 . . . . 38 LEU HB2 . 7289 1
270 . 1 1 38 38 LEU HB3 H 1 1.729 0 . 1 . . . . 38 LEU HB3 . 7289 1
271 . 1 1 38 38 LEU HG H 1 1.67 0 . 1 . . . . 38 LEU HG . 7289 1
272 . 1 1 38 38 LEU HD11 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1
273 . 1 1 38 38 LEU HD12 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1
274 . 1 1 38 38 LEU HD13 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1
275 . 1 1 38 38 LEU HD21 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1
276 . 1 1 38 38 LEU HD22 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1
277 . 1 1 38 38 LEU HD23 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1
278 . 1 1 39 39 MET H H 1 8.004 0 . 1 . . . . 39 MET H . 7289 1
279 . 1 1 39 39 MET HA H 1 4.5 0 . 1 . . . . 39 MET HA . 7289 1
280 . 1 1 39 39 MET HB2 H 1 2.088 0 . 2 . . . . 39 MET HB2 . 7289 1
281 . 1 1 39 39 MET HB3 H 1 2.194 0 . 2 . . . . 39 MET HB3 . 7289 1
282 . 1 1 39 39 MET HG2 H 1 2.586 0 . 2 . . . . 39 MET HG2 . 7289 1
283 . 1 1 39 39 MET HG3 H 1 2.646 0 . 2 . . . . 39 MET HG3 . 7289 1
284 . 1 1 39 39 MET HE1 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1
285 . 1 1 39 39 MET HE2 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1
286 . 1 1 39 39 MET HE3 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1
287 . 1 1 40 40 GLY H H 1 8.08 0 . 1 . . . . 40 GLY H . 7289 1
288 . 1 1 40 40 GLY HA2 H 1 3.925 0 . 2 . . . . 40 GLY HA2 . 7289 1
289 . 1 1 40 40 GLY HA3 H 1 3.987 0 . 2 . . . . 40 GLY HA3 . 7289 1
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