###################################
# 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_S25p-mAb3c3-25
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode S25p-mAb3c3-25
_Assigned_chem_shift_list.Entry_ID 18106
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 18106 1
2 '2D 1H-1H NOESY' . . . 18106 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 2 2 LYS HA H 1 4.562 . . 1 . . . . 2 K HA . 18106 1
2 . 1 1 2 2 LYS HB2 H 1 1.739 . . 2 . . . . 2 K HB2 . 18106 1
3 . 1 1 2 2 LYS HG2 H 1 1.366 . . 2 . . . . 2 K HG2 . 18106 1
4 . 1 1 2 2 LYS HG3 H 1 1.372 . . 2 . . . . 2 K HG3 . 18106 1
5 . 1 1 2 2 LYS HD2 H 1 1.603 . . 2 . . . . 2 K HD2 . 18106 1
6 . 1 1 2 2 LYS HE2 H 1 2.899 . . 2 . . . . 2 K HE2 . 18106 1
7 . 1 1 3 3 PRO HA H 1 4.360 . . 1 . . . . 3 P HA . 18106 1
8 . 1 1 3 3 PRO HB2 H 1 2.225 . . 2 . . . . 3 P HB2 . 18106 1
9 . 1 1 3 3 PRO HG2 H 1 1.940 . . 2 . . . . 3 P HG2 . 18106 1
10 . 1 1 3 3 PRO HD2 H 1 3.880 . . 2 . . . . 3 P HD2 . 18106 1
11 . 1 1 4 4 GLY H H 1 8.471 . . 1 . . . . 4 G HN . 18106 1
12 . 1 1 4 4 GLY HA2 H 1 3.803 . . 2 . . . . 4 G HA2 . 18106 1
13 . 1 1 4 4 GLY HA3 H 1 3.884 . . 2 . . . . 4 G HA3 . 18106 1
14 . 1 1 5 5 GLU H H 1 8.516 . . 1 . . . . 5 E HN . 18106 1
15 . 1 1 5 5 GLU HA H 1 4.164 . . 1 . . . . 5 E HA . 18106 1
16 . 1 1 5 5 GLU HB2 H 1 1.936 . . 2 . . . . 5 E HB2 . 18106 1
17 . 1 1 5 5 GLU HB3 H 1 1.851 . . 2 . . . . 5 E HB3 . 18106 1
18 . 1 1 5 5 GLU HG2 H 1 2.156 . . 2 . . . . 5 E HG2 . 18106 1
19 . 1 1 6 6 ALA H H 1 8.248 . . 1 . . . . 6 A HN . 18106 1
20 . 1 1 6 6 ALA HA H 1 4.237 . . 1 . . . . 6 A HA . 18106 1
21 . 1 1 6 6 ALA HB1 H 1 1.291 . . 1 . . . . 6 A HB2 . 18106 1
22 . 1 1 6 6 ALA HB2 H 1 1.291 . . 1 . . . . 6 A HB2 . 18106 1
23 . 1 1 6 6 ALA HB3 H 1 1.270 . . 1 . . . . 6 A HB3 . 18106 1
24 . 1 1 7 7 VAL H H 1 7.993 . . 1 . . . . 7 V HN . 18106 1
25 . 1 1 7 7 VAL HA H 1 3.975 . . 1 . . . . 7 V HA . 18106 1
26 . 1 1 7 7 VAL HB H 1 1.944 . . 1 . . . . 7 V HB . 18106 1
27 . 1 1 7 7 VAL HG21 H 1 0.833 . . 2 . . . . 7 V HG21 . 18106 1
28 . 1 1 7 7 VAL HG22 H 1 0.833 . . 2 . . . . 7 V HG22 . 18106 1
29 . 1 1 7 7 VAL HG23 H 1 0.833 . . 2 . . . . 7 V HG23 . 18106 1
30 . 1 1 8 8 ALA H H 1 8.268 . . 1 . . . . 8 A HN . 18106 1
31 . 1 1 8 8 ALA HA H 1 4.215 . . 1 . . . . 8 A HA . 18106 1
32 . 1 1 8 8 ALA HB1 H 1 1.266 . . 1 . . . . 8 A HB2 . 18106 1
33 . 1 1 8 8 ALA HB2 H 1 1.266 . . 1 . . . . 8 A HB2 . 18106 1
34 . 1 1 8 8 ALA HB3 H 1 1.266 . . 1 . . . . 8 A HB3 . 18106 1
35 . 1 1 9 9 ALA H H 1 8.152 . . 1 . . . . 9 A HN . 18106 1
36 . 1 1 9 9 ALA HA H 1 4.237 . . 1 . . . . 9 A HA . 18106 1
37 . 1 1 9 9 ALA HB1 H 1 1.270 . . 1 . . . . 9 A HB2 . 18106 1
38 . 1 1 9 9 ALA HB2 H 1 1.270 . . 1 . . . . 9 A HB2 . 18106 1
39 . 1 1 9 9 ALA HB3 H 1 1.270 . . 1 . . . . 9 A HB3 . 18106 1
40 . 1 1 10 10 SEP H H 1 8.479 . . 1 . . . . 10 S HN . 18106 1
41 . 1 1 10 10 SEP HA H 1 4.698 . . 1 . . . . 10 S HA . 18106 1
42 . 1 1 10 10 SEP HB2 H 1 3.854 . . 2 . . . . 10 S HB2 . 18106 1
43 . 1 1 10 10 SEP HB3 H 1 3.994 . . 2 . . . . 10 S HB3 . 18106 1
44 . 1 1 11 11 PRO HA H 1 4.317 . . 1 . . . . 11 P HA . 18106 1
45 . 1 1 11 11 PRO HB2 H 1 2.232 . . 2 . . . . 11 P HB2 . 18106 1
46 . 1 1 11 11 PRO HB3 H 1 1.976 . . 2 . . . . 11 P HB3 . 18106 1
47 . 1 1 11 11 PRO HG2 H 1 1.928 . . 2 . . . . 11 P HG2 . 18106 1
48 . 1 1 11 11 PRO HG3 H 1 1.845 . . 2 . . . . 11 P HG3 . 18106 1
49 . 1 1 11 11 PRO HD2 H 1 3.778 . . 2 . . . . 11 P HD2 . 18106 1
50 . 1 1 11 11 PRO HD3 H 1 3.565 . . 2 . . . . 11 P HD3 . 18106 1
51 . 1 1 12 12 SER H H 1 8.286 . . 1 . . . . 12 S HN . 18106 1
52 . 1 1 12 12 SER HA H 1 4.656 . . 1 . . . . 12 S HA . 18106 1
53 . 1 1 12 12 SER HB2 H 1 3.874 . . 2 . . . . 12 S HB2 . 18106 1
54 . 1 1 12 12 SER HB3 H 1 3.793 . . 2 . . . . 12 S HB3 . 18106 1
55 . 1 1 13 13 LYS H H 1 8.051 . . 1 . . . . 13 K HN . 18106 1
56 . 1 1 13 13 LYS HA H 1 4.250 . . 1 . . . . 13 K HA . 18106 1
57 . 1 1 13 13 LYS HB3 H 1 1.809 . . 2 . . . . 13 K HB3 . 18106 1
58 . 1 1 13 13 LYS HG2 H 1 1.335 . . 2 . . . . 13 K HG2 . 18106 1
59 . 1 1 13 13 LYS HG3 H 1 1.374 . . 2 . . . . 13 K HG3 . 18106 1
60 . 1 1 13 13 LYS HD2 H 1 1.569 . . 2 . . . . 13 K HD2 . 18106 1
61 . 1 1 13 13 LYS HD3 H 1 1.657 . . 2 . . . . 13 K HD3 . 18106 1
62 . 1 1 13 13 LYS HE2 H 1 2.901 . . 2 . . . . 13 K HE2 . 18106 1
63 . 1 1 13 13 LYS HE3 H 1 3.055 . . 2 . . . . 13 K HE3 . 18106 1
64 . 1 1 14 14 ALA H H 1 7.973 . . 1 . . . . 14 A HN . 18106 1
65 . 1 1 14 14 ALA HA H 1 4.188 . . 1 . . . . 14 A HA . 18106 1
66 . 1 1 14 14 ALA HB1 H 1 1.274 . . 1 . . . . 14 A HB2 . 18106 1
67 . 1 1 14 14 ALA HB2 H 1 1.274 . . 1 . . . . 14 A HB2 . 18106 1
68 . 1 1 14 14 ALA HB3 H 1 1.274 . . 1 . . . . 14 A HB3 . 18106 1
69 . 1 1 15 15 ASN H H 1 8.285 . . 1 . . . . 15 N HN . 18106 1
70 . 1 1 15 15 ASN HA H 1 4.654 . . 1 . . . . 15 N HA . 18106 1
71 . 1 1 15 15 ASN HB2 H 1 2.692 . . 2 . . . . 15 N HB2 . 18106 1
72 . 1 1 15 15 ASN HB3 H 1 2.750 . . 1 . . . . 15 N HB3 . 18106 1
73 . 1 1 15 15 ASN HD21 H 1 7.012 . . 2 . . . . 15 N HD21 . 18106 1
74 . 1 1 15 15 ASN HD22 H 1 7.509 . . 2 . . . . 15 N HD22 . 18106 1
75 . 1 1 16 16 GLY H H 1 8.289 . . 1 . . . . 16 G HN . 18106 1
76 . 1 1 16 16 GLY HA2 H 1 3.763 . . 2 . . . . 16 G HA2 . 18106 1
77 . 1 1 16 16 GLY HA3 H 1 3.822 . . 2 . . . . 16 G HA3 . 18106 1
78 . 1 1 17 17 GLN H H 1 8.124 . . 1 . . . . 17 Q HN . 18106 1
79 . 1 1 17 17 GLN HA H 1 4.238 . . 1 . . . . 17 Q HA . 18106 1
80 . 1 1 17 17 GLN HB2 H 1 2.031 . . 2 . . . . 17 Q HB2 . 18106 1
81 . 1 1 17 17 GLN HB3 H 1 1.874 . . 2 . . . . 17 Q HB3 . 18106 1
82 . 1 1 17 17 GLN HG2 H 1 2.242 . . 2 . . . . 17 Q HG2 . 18106 1
83 . 1 1 18 18 GLU H H 1 7.968 . . 1 . . . . 18 E HN . 18106 1
84 . 1 1 18 18 GLU HA H 1 4.188 . . 1 . . . . 18 E HA . 18106 1
85 . 1 1 18 18 GLU HB2 H 1 1.944 . . 2 . . . . 18 E HB2 . 18106 1
86 . 1 1 18 18 GLU HB3 H 1 1.837 . . 2 . . . . 18 E HB3 . 18106 1
87 . 1 1 18 18 GLU HG2 H 1 2.136 . . 2 . . . . 18 E HG2 . 18106 1
88 . 1 1 18 18 GLU HG3 H 1 2.214 . . 2 . . . . 18 E HG3 . 18106 1
89 . 1 1 19 19 ASN H H 1 8.469 . . 1 . . . . 19 N HN . 18106 1
90 . 1 1 19 19 ASN HA H 1 4.594 . . 1 . . . . 19 N HA . 18106 1
91 . 1 1 19 19 ASN HB2 H 1 2.682 . . 2 . . . . 19 N HB2 . 18106 1
stop_
save_
###################################
# 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_S25p-mAb3Cc3-5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode S25p-mAb3Cc3-5
_Assigned_chem_shift_list.Entry_ID 18106
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_2
_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
3 '2D 1H-1H TOCSY' . . . 18106 2
4 '2D 1H-1H NOESY' . . . 18106 2
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 2 2 LYS H H 1 8.294 . . 1 . . . . 2 K HN . 18106 2
2 . 1 1 2 2 LYS HA H 1 4.610 . . 1 . . . . 2 K HA . 18106 2
3 . 1 1 2 2 LYS HB2 H 1 1.773 . . 2 . . . . 2 K HB2 . 18106 2
4 . 1 1 2 2 LYS HB3 H 1 1.843 . . 2 . . . . 2 K HB3 . 18106 2
5 . 1 1 2 2 LYS HG2 H 1 1.415 . . 2 . . . . 2 K HG2 . 18106 2
6 . 1 1 2 2 LYS HG3 H 1 1.372 . . 2 . . . . 2 K HG3 . 18106 2
7 . 1 1 2 2 LYS HD2 H 1 1.649 . . 2 . . . . 2 K HD2 . 18106 2
8 . 1 1 2 2 LYS HE2 H 1 2.927 . . 2 . . . . 2 K HE2 . 18106 2
9 . 1 1 2 2 LYS HE3 H 1 2.835 . . 2 . . . . 2 K HE3 . 18106 2
10 . 1 1 3 3 PRO HA H 1 4.360 . . 1 . . . . 3 P HA . 18106 2
11 . 1 1 3 3 PRO HB2 H 1 2.275 . . 2 . . . . 3 P HB2 . 18106 2
12 . 1 1 3 3 PRO HB3 H 1 2.249 . . 2 . . . . 3 P HB3 . 18106 2
13 . 1 1 3 3 PRO HG2 H 1 2.002 . . 2 . . . . 3 P HG2 . 18106 2
14 . 1 1 3 3 PRO HG3 H 1 2.031 . . 2 . . . . 3 P HG3 . 18106 2
15 . 1 1 3 3 PRO HD2 H 1 3.937 . . 2 . . . . 3 P HD2 . 18106 2
16 . 1 1 3 3 PRO HD3 H 1 3.606 . . 1 . . . . 3 P HD3 . 18106 2
17 . 1 1 4 4 GLY H H 1 8.719 . . 1 . . . . 4 G HN . 18106 2
18 . 1 1 4 4 GLY HA2 H 1 3.914 . . 2 . . . . 4 G HA2 . 18106 2
19 . 1 1 4 4 GLY HA3 H 1 3.889 . . 2 . . . . 4 G HA3 . 18106 2
20 . 1 1 5 5 GLU H H 1 8.713 . . 1 . . . . 5 E HN . 18106 2
21 . 1 1 5 5 GLU HA H 1 4.207 . . 1 . . . . 5 E HA . 18106 2
22 . 1 1 5 5 GLU HB2 H 1 1.981 . . 2 . . . . 5 E HB2 . 18106 2
23 . 1 1 5 5 GLU HB3 H 1 1.902 . . 1 . . . . 5 E HB3 . 18106 2
24 . 1 1 5 5 GLU HG2 H 1 2.214 . . 2 . . . . 5 E HG2 . 18106 2
25 . 1 1 5 5 GLU HG3 H 1 2.285 . . 2 . . . . 5 E HG3 . 18106 2
26 . 1 1 6 6 ALA H H 1 8.472 . . 9 . . . . 6 A HN . 18106 2
27 . 1 1 6 6 ALA HA H 1 4.230 . . 9 . . . . 6 A HA . 18106 2
28 . 1 1 6 6 ALA HB1 H 1 1.305 . . 1 . . . . 6 A HB2 . 18106 2
29 . 1 1 6 6 ALA HB2 H 1 1.305 . . 1 . . . . 6 A HB2 . 18106 2
30 . 1 1 6 6 ALA HB3 H 1 1.310 . . 1 . . . . 6 A HB3 . 18106 2
31 . 1 1 7 7 VAL H H 1 8.274 . . 1 . . . . 7 V HN . 18106 2
32 . 1 1 7 7 VAL HA H 1 3.993 . . 1 . . . . 7 V HA . 18106 2
33 . 1 1 7 7 VAL HB H 1 1.966 . . 1 . . . . 7 V HB . 18106 2
34 . 1 1 7 7 VAL HG11 H 1 0.877 . . 2 . . . . 7 V HG11 . 18106 2
35 . 1 1 7 7 VAL HG12 H 1 0.877 . . 2 . . . . 7 V HG12 . 18106 2
36 . 1 1 7 7 VAL HG13 H 1 0.877 . . 2 . . . . 7 V HG13 . 18106 2
37 . 1 1 7 7 VAL HG21 H 1 0.893 . . 1 . . . . 7 V HG21 . 18106 2
38 . 1 1 7 7 VAL HG22 H 1 0.899 . . 2 . . . . 7 V HG22 . 18106 2
39 . 1 1 7 7 VAL HG23 H 1 0.899 . . 2 . . . . 7 V HG23 . 18106 2
40 . 1 1 8 8 ALA H H 1 8.524 . . 1 . . . . 8 A HN . 18106 2
41 . 1 1 8 8 ALA HA H 1 4.258 . . 1 . . . . 8 A HA . 18106 2
42 . 1 1 8 8 ALA HB1 H 1 1.308 . . 1 . . . . 8 A HB2 . 18106 2
43 . 1 1 8 8 ALA HB2 H 1 1.308 . . 1 . . . . 8 A HB2 . 18106 2
44 . 1 1 8 8 ALA HB3 H 1 1.310 . . 1 . . . . 8 A HB3 . 18106 2
45 . 1 1 9 9 ALA H H 1 8.415 . . 1 . . . . 9 A HN . 18106 2
46 . 1 1 9 9 ALA HA H 1 4.257 . . 1 . . . . 9 A HA . 18106 2
47 . 1 1 9 9 ALA HB1 H 1 1.303 . . 1 . . . . 9 A HB2 . 18106 2
48 . 1 1 9 9 ALA HB2 H 1 1.303 . . 1 . . . . 9 A HB2 . 18106 2
49 . 1 1 9 9 ALA HB3 H 1 1.310 . . 1 . . . . 9 A HB3 . 18106 2
50 . 1 1 10 10 SEP H H 1 8.749 . . 1 . . . . 10 S HN . 18106 2
51 . 1 1 10 10 SEP HA H 1 4.728 . . 1 . . . . 10 S HA . 18106 2
52 . 1 1 10 10 SEP HB2 H 1 4.045 . . 2 . . . . 10 S HB2 . 18106 2
53 . 1 1 10 10 SEP HB3 H 1 3.899 . . 2 . . . . 10 S HB3 . 18106 2
54 . 1 1 11 11 PRO HA H 1 4.355 . . 1 . . . . 11 P HA . 18106 2
55 . 1 1 11 11 PRO HB2 H 1 2.272 . . 2 . . . . 11 P HB2 . 18106 2
56 . 1 1 11 11 PRO HB3 H 1 2.014 . . 1 . . . . 11 P HB3 . 18106 2
57 . 1 1 11 11 PRO HG2 H 1 1.970 . . 1 . . . . 11 P HG2 . 18106 2
58 . 1 1 11 11 PRO HG3 H 1 1.887 . . 2 . . . . 11 P HG3 . 18106 2
59 . 1 1 11 11 PRO HD2 H 1 3.833 . . 2 . . . . 11 P HD2 . 18106 2
60 . 1 1 11 11 PRO HD3 H 1 3.600 . . 2 . . . . 11 P HD3 . 18106 2
61 . 1 1 12 12 SER H H 1 8.484 . . 1 . . . . 12 S HN . 18106 2
62 . 1 1 12 12 SER HA H 1 4.622 . . 1 . . . . 12 S HA . 18106 2
63 . 1 1 12 12 SER HB2 H 1 3.908 . . 2 . . . . 12 S HB2 . 18106 2
64 . 1 1 12 12 SER HB3 H 1 3.815 . . 2 . . . . 12 S HB3 . 18106 2
65 . 1 1 13 13 LYS H H 1 8.300 . . 1 . . . . 13 K HN . 18106 2
66 . 1 1 13 13 LYS HA H 1 4.257 . . 1 . . . . 13 K HA . 18106 2
67 . 1 1 13 13 LYS HB2 H 1 1.856 . . 2 . . . . 13 K HB2 . 18106 2
68 . 1 1 13 13 LYS HB3 H 1 1.872 . . 2 . . . . 13 K HB3 . 18106 2
69 . 1 1 13 13 LYS HG2 H 1 1.409 . . 2 . . . . 13 K HG2 . 18106 2
70 . 1 1 13 13 LYS HG3 H 1 1.374 . . 2 . . . . 13 K HG3 . 18106 2
71 . 1 1 13 13 LYS HD2 H 1 1.704 . . 2 . . . . 13 K HD2 . 18106 2
72 . 1 1 13 13 LYS HD3 H 1 1.616 . . 2 . . . . 13 K HD3 . 18106 2
73 . 1 1 13 13 LYS HE2 H 1 2.934 . . 2 . . . . 13 K HE2 . 18106 2
74 . 1 1 13 13 LYS HE3 H 1 3.083 . . 2 . . . . 13 K HE3 . 18106 2
75 . 1 1 14 14 ALA H H 1 8.169 . . 1 . . . . 14 A HN . 18106 2
76 . 1 1 14 14 ALA HA H 1 4.254 . . 1 . . . . 14 A HA . 18106 2
77 . 1 1 14 14 ALA HB1 H 1 1.320 . . 1 . . . . 14 A HB2 . 18106 2
78 . 1 1 14 14 ALA HB2 H 1 1.320 . . 1 . . . . 14 A HB2 . 18106 2
79 . 1 1 14 14 ALA HB3 H 1 1.310 . . 1 . . . . 14 A HB3 . 18106 2
80 . 1 1 15 15 ASN H H 1 8.497 . . 1 . . . . 15 N HN . 18106 2
81 . 1 1 15 15 ASN HA H 1 4.645 . . 1 . . . . 15 N HA . 18106 2
82 . 1 1 15 15 ASN HB2 H 1 2.777 . . 2 . . . . 15 N HB2 . 18106 2
83 . 1 1 15 15 ASN HB3 H 1 2.789 . . 2 . . . . 15 N HB3 . 18106 2
84 . 1 1 15 15 ASN HD21 H 1 7.057 . . 2 . . . . 15 N HD21 . 18106 2
85 . 1 1 15 15 ASN HD22 H 1 7.378 . . 2 . . . . 15 N HD22 . 18106 2
86 . 1 1 16 16 GLY H H 1 8.484 . . 1 . . . . 16 G HN . 18106 2
87 . 1 1 16 16 GLY HA2 H 1 3.876 . . 1 . . . . 16 G HA2 . 18106 2
88 . 1 1 16 16 GLY HA3 H 1 3.853 . . 2 . . . . 16 G HA3 . 18106 2
89 . 1 1 17 17 GLN H H 1 8.305 . . 1 . . . . 17 Q HN . 18106 2
90 . 1 1 17 17 GLN HA H 1 4.261 . . 1 . . . . 17 Q HA . 18106 2
91 . 1 1 17 17 GLN HB2 H 1 2.081 . . 2 . . . . 17 Q HB2 . 18106 2
92 . 1 1 17 17 GLN HB3 H 1 1.919 . . 2 . . . . 17 Q HB3 . 18106 2
93 . 1 1 17 17 GLN HG2 H 1 2.292 . . 1 . . . . 17 Q HG2 . 18106 2
94 . 1 1 17 17 GLN HG3 H 1 2.287 . . 2 . . . . 17 Q HG3 . 18106 2
95 . 1 1 17 17 GLN HE21 H 1 6.914 . . 2 . . . . 17 Q HE21 . 18106 2
96 . 1 1 17 17 GLN HE22 H 1 7.677 . . 2 . . . . 17 Q HE22 . 18106 2
97 . 1 1 18 18 GLU H H 1 8.126 . . 1 . . . . 18 E HN . 18106 2
98 . 1 1 18 18 GLU HA H 1 4.238 . . 1 . . . . 18 E HA . 18106 2
99 . 1 1 18 18 GLU HB2 H 1 1.874 . . 2 . . . . 18 E HB2 . 18106 2
100 . 1 1 18 18 GLU HB3 H 1 1.976 . . 2 . . . . 18 E HB3 . 18106 2
101 . 1 1 18 18 GLU HG2 H 1 2.199 . . 2 . . . . 18 E HG2 . 18106 2
102 . 1 1 18 18 GLU HG3 H 1 2.214 . . 2 . . . . 18 E HG3 . 18106 2
103 . 1 1 19 19 ASN H H 1 8.710 . . 1 . . . . 19 N HN . 18106 2
104 . 1 1 19 19 ASN HA H 1 4.651 . . 1 . . . . 19 N HA . 18106 2
105 . 1 1 19 19 ASN HB2 H 1 2.730 . . 2 . . . . 19 N HB2 . 18106 2
106 . 1 1 19 19 ASN HB3 H 1 2.806 . . 2 . . . . 19 N HB3 . 18106 2
107 . 1 1 19 19 ASN HD21 H 1 7.200 . . 2 . . . . 19 N HD21 . 18106 2
108 . 1 1 19 19 ASN HD22 H 1 7.466 . . 2 . . . . 19 N HD22 . 18106 2
109 . 1 1 20 20 GLY H H 1 8.491 . . 1 . . . . 20 G HN . 18106 2
110 . 1 1 20 20 GLY HA2 H 1 4.060 . . 2 . . . . 20 G HA2 . 18106 2
111 . 1 1 20 20 GLY HA3 H 1 4.261 . . 2 . . . . 20 G HA3 . 18106 2
stop_
save_