################################### # 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_