################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25807 _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 5 CT-HN(COCA)CB . . . 25807 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 GLN CB C 13 30.60 0.02 . . . . . A 2 GLN CB . 25807 1 2 . 1 1 3 3 TYR CB C 13 43.59 0.02 . . . . . A 3 TYR CB . 25807 1 3 . 1 1 4 4 LYS CB C 13 36.18 0.02 . . . . . A 4 LYS CB . 25807 1 4 . 1 1 5 5 LEU CB C 13 42.52 0.02 . . . . . A 5 LEU CB . 25807 1 5 . 1 1 6 6 VAL CB C 13 32.84 0.02 . . . . . A 6 VAL CB . 25807 1 6 . 1 1 7 7 ILE CB C 13 39.25 0.02 . . . . . A 7 ILE CB . 25807 1 7 . 1 1 8 8 ASN CB C 13 37.79 0.02 . . . . . A 8 ASN CB . 25807 1 8 . 1 1 10 10 LYS CB C 13 32.62 0.02 . . . . . A 10 LYS CB . 25807 1 9 . 1 1 11 11 THR CB C 13 69.87 0.02 . . . . . A 11 THR CB . 25807 1 10 . 1 1 12 12 LEU CB C 13 43.37 0.02 . . . . . A 12 LEU CB . 25807 1 11 . 1 1 13 13 LYS CB C 13 34.74 0.02 . . . . . A 13 LYS CB . 25807 1 12 . 1 1 15 15 GLU CB C 13 34.00 0.02 . . . . . A 15 GLU CB . 25807 1 13 . 1 1 16 16 THR CB C 13 69.52 0.02 . . . . . A 16 THR CB . 25807 1 14 . 1 1 17 17 THR CB C 13 73.33 0.02 . . . . . A 17 THR CB . 25807 1 15 . 1 1 18 18 THR CB C 13 69.99 0.02 . . . . . A 18 THR CB . 25807 1 16 . 1 1 19 19 LYS CB C 13 33.69 0.02 . . . . . A 19 LYS CB . 25807 1 17 . 1 1 20 20 ALA CB C 13 23.79 0.02 . . . . . A 20 ALA CB . 25807 1 18 . 1 1 21 21 VAL CB C 13 32.04 0.02 . . . . . A 21 VAL CB . 25807 1 19 . 1 1 22 22 ASP CB C 13 42.38 0.02 . . . . . A 22 ASP CB . 25807 1 20 . 1 1 23 23 ALA CB C 13 17.61 0.02 . . . . . A 23 ALA CB . 25807 1 21 . 1 1 24 24 GLU CB C 13 29.05 0.02 . . . . . A 24 GLU CB . 25807 1 22 . 1 1 25 25 THR CB C 13 67.89 0.02 . . . . . A 25 THR CB . 25807 1 23 . 1 1 26 26 ALA CB C 13 17.55 0.02 . . . . . A 26 ALA CB . 25807 1 24 . 1 1 27 27 GLU CB C 13 29.18 0.02 . . . . . A 27 GLU CB . 25807 1 25 . 1 1 28 28 LYS CB C 13 32.41 0.02 . . . . . A 28 LYS CB . 25807 1 26 . 1 1 29 29 ALA CB C 13 17.40 0.02 . . . . . A 29 ALA CB . 25807 1 27 . 1 1 30 30 PHE CB C 13 37.63 0.02 . . . . . A 30 PHE CB . 25807 1 28 . 1 1 31 31 LYS CB C 13 31.57 0.02 . . . . . A 31 LYS CB . 25807 1 29 . 1 1 32 32 GLN CB C 13 28.25 0.02 . . . . . A 32 GLN CB . 25807 1 30 . 1 1 33 33 TYR CB C 13 38.60 0.02 . . . . . A 33 TYR CB . 25807 1 31 . 1 1 34 34 ALA CB C 13 17.86 0.02 . . . . . A 34 ALA CB . 25807 1 32 . 1 1 35 35 ASN CB C 13 38.78 0.02 . . . . . A 35 ASN CB . 25807 1 33 . 1 1 36 36 ASP CB C 13 40.03 0.02 . . . . . A 36 ASP CB . 25807 1 34 . 1 1 37 37 ASN CB C 13 40.10 0.02 . . . . . A 37 ASN CB . 25807 1 35 . 1 1 39 39 VAL CB C 13 33.39 0.02 . . . . . A 39 VAL CB . 25807 1 36 . 1 1 40 40 ASP CB C 13 42.99 0.02 . . . . . A 40 ASP CB . 25807 1 37 . 1 1 42 42 VAL CB C 13 33.57 0.02 . . . . . A 42 VAL CB . 25807 1 38 . 1 1 43 43 TRP CB C 13 30.27 0.02 . . . . . A 43 TRP CB . 25807 1 39 . 1 1 44 44 THR CB C 13 72.37 0.02 . . . . . A 44 THR CB . 25807 1 40 . 1 1 45 45 TYR CB C 13 41.58 0.02 . . . . . A 45 TYR CB . 25807 1 41 . 1 1 46 46 ASP CB C 13 43.14 0.02 . . . . . A 46 ASP CB . 25807 1 42 . 1 1 47 47 ASP CB C 13 42.18 0.02 . . . . . A 47 ASP CB . 25807 1 43 . 1 1 48 48 ALA CB C 13 18.30 0.02 . . . . . A 48 ALA CB . 25807 1 44 . 1 1 49 49 THR CB C 13 70.19 0.02 . . . . . A 49 THR CB . 25807 1 45 . 1 1 50 50 LYS CB C 13 29.36 0.02 . . . . . A 50 LYS CB . 25807 1 46 . 1 1 51 51 THR CB C 13 72.11 0.02 . . . . . A 51 THR CB . 25807 1 47 . 1 1 52 52 PHE CB C 13 42.64 0.02 . . . . . A 52 PHE CB . 25807 1 48 . 1 1 53 53 THR CB C 13 70.99 0.02 . . . . . A 53 THR CB . 25807 1 49 . 1 1 54 54 VAL CB C 13 32.45 0.02 . . . . . A 54 VAL CB . 25807 1 50 . 1 1 55 55 THR CB C 13 70.81 0.02 . . . . . A 55 THR CB . 25807 1 51 . 1 1 56 56 GLU CB C 13 32.04 0.02 . . . . . A 56 GLU CB . 25807 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_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25807 _Assigned_chem_shift_list.ID 2 _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 5 CT-HN(COCA)CB . . . 25807 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 1 1 MET HA H 1 4.171 0.010 . 1 . . . A 1 MET HA . 25807 2 2 . 1 1 1 1 MET HB2 H 1 2.132 0.010 . 1 . . . A 1 MET HB2 . 25807 2 3 . 1 1 1 1 MET HB3 H 1 2.247 0.010 . 1 . . . A 1 MET HB3 . 25807 2 4 . 1 1 1 1 MET C C 13 171.287 0.100 . 1 . . . A 1 MET C . 25807 2 5 . 1 1 1 1 MET CA C 13 54.344 0.100 . 1 . . . A 1 MET CA . 25807 2 6 . 1 1 2 2 GLN H H 1 8.416 0.010 . 1 . . . A 2 GLN H . 25807 2 7 . 1 1 2 2 GLN HA H 1 5.087 0.010 . 1 . . . A 2 GLN HA . 25807 2 8 . 1 1 2 2 GLN HB2 H 1 2.046 0.010 . 1 . . . A 2 GLN HB2 . 25807 2 9 . 1 1 2 2 GLN HB3 H 1 1.931 0.010 . 1 . . . A 2 GLN HB3 . 25807 2 10 . 1 1 2 2 GLN C C 13 174.361 0.100 . 1 . . . A 2 GLN C . 25807 2 11 . 1 1 2 2 GLN CA C 13 54.344 0.100 . 1 . . . A 2 GLN CA . 25807 2 12 . 1 1 2 2 GLN N N 15 123.321 0.100 . 1 . . . A 2 GLN N . 25807 2 13 . 1 1 3 3 TYR H H 1 9.127 0.010 . 1 . . . A 3 TYR H . 25807 2 14 . 1 1 3 3 TYR HA H 1 5.403 0.010 . 1 . . . A 3 TYR HA . 25807 2 15 . 1 1 3 3 TYR HB2 H 1 3.464 0.010 . 1 . . . A 3 TYR HB2 . 25807 2 16 . 1 1 3 3 TYR HB3 H 1 2.771 0.010 . 1 . . . A 3 TYR HB3 . 25807 2 17 . 1 1 3 3 TYR C C 13 174.737 0.100 . 1 . . . A 3 TYR C . 25807 2 18 . 1 1 3 3 TYR CA C 13 57.159 0.100 . 1 . . . A 3 TYR CA . 25807 2 19 . 1 1 3 3 TYR N N 15 124.249 0.100 . 1 . . . A 3 TYR N . 25807 2 20 . 1 1 4 4 LYS H H 1 9.156 0.010 . 1 . . . A 4 LYS H . 25807 2 21 . 1 1 4 4 LYS HA H 1 5.242 0.010 . 1 . . . A 4 LYS HA . 25807 2 22 . 1 1 4 4 LYS HB2 H 1 2.063 0.010 . 1 . . . A 4 LYS HB2 . 25807 2 23 . 1 1 4 4 LYS HB3 H 1 1.916 0.010 . 1 . . . A 4 LYS HB3 . 25807 2 24 . 1 1 4 4 LYS C C 13 172.828 0.100 . 1 . . . A 4 LYS C . 25807 2 25 . 1 1 4 4 LYS CA C 13 55.140 0.100 . 1 . . . A 4 LYS CA . 25807 2 26 . 1 1 4 4 LYS N N 15 122.647 0.100 . 1 . . . A 4 LYS N . 25807 2 27 . 1 1 5 5 LEU H H 1 8.684 0.010 . 1 . . . A 5 LEU H . 25807 2 28 . 1 1 5 5 LEU HA H 1 4.997 0.010 . 1 . . . A 5 LEU HA . 25807 2 29 . 1 1 5 5 LEU HB2 H 1 0.799 0.010 . 1 . . . A 5 LEU HB2 . 25807 2 30 . 1 1 5 5 LEU HB3 H 1 -1.149 0.010 . 1 . . . A 5 LEU HB3 . 25807 2 31 . 1 1 5 5 LEU C C 13 174.651 0.100 . 1 . . . A 5 LEU C . 25807 2 32 . 1 1 5 5 LEU CA C 13 52.687 0.100 . 1 . . . A 5 LEU CA . 25807 2 33 . 1 1 5 5 LEU N N 15 126.611 0.100 . 1 . . . A 5 LEU N . 25807 2 34 . 1 1 6 6 VAL H H 1 9.220 0.010 . 1 . . . A 6 VAL H . 25807 2 35 . 1 1 6 6 VAL HA H 1 4.196 0.010 . 1 . . . A 6 VAL HA . 25807 2 36 . 1 1 6 6 VAL HB H 1 2.104 0.010 . 1 . . . A 6 VAL HB . 25807 2 37 . 1 1 6 6 VAL HG11 H 1 0.837 0.010 . 1 . . . A 6 VAL HG11 . 25807 2 38 . 1 1 6 6 VAL HG12 H 1 0.837 0.010 . 1 . . . A 6 VAL HG12 . 25807 2 39 . 1 1 6 6 VAL HG13 H 1 0.837 0.010 . 1 . . . A 6 VAL HG13 . 25807 2 40 . 1 1 6 6 VAL HG21 H 1 0.864 0.010 . 1 . . . A 6 VAL HG21 . 25807 2 41 . 1 1 6 6 VAL HG22 H 1 0.864 0.010 . 1 . . . A 6 VAL HG22 . 25807 2 42 . 1 1 6 6 VAL HG23 H 1 0.864 0.010 . 1 . . . A 6 VAL HG23 . 25807 2 43 . 1 1 6 6 VAL C C 13 174.423 0.100 . 1 . . . A 6 VAL C . 25807 2 44 . 1 1 6 6 VAL CA C 13 61.998 0.100 . 1 . . . A 6 VAL CA . 25807 2 45 . 1 1 6 6 VAL CG1 C 13 20.790 0.100 . 1 . . . A 6 VAL CG1 . 25807 2 46 . 1 1 6 6 VAL CG2 C 13 21.124 0.100 . 1 . . . A 6 VAL CG2 . 25807 2 47 . 1 1 6 6 VAL N N 15 127.197 0.100 . 1 . . . A 6 VAL N . 25807 2 48 . 1 1 7 7 ILE H H 1 8.831 0.010 . 1 . . . A 7 ILE H . 25807 2 49 . 1 1 7 7 ILE HA H 1 4.117 0.010 . 1 . . . A 7 ILE HA . 25807 2 50 . 1 1 7 7 ILE HB H 1 1.578 0.010 . 1 . . . A 7 ILE HB . 25807 2 51 . 1 1 7 7 ILE HG21 H 1 0.738 0.010 . 1 . . . A 7 ILE HG21 . 25807 2 52 . 1 1 7 7 ILE HG22 H 1 0.738 0.010 . 1 . . . A 7 ILE HG22 . 25807 2 53 . 1 1 7 7 ILE HG23 H 1 0.738 0.010 . 1 . . . A 7 ILE HG23 . 25807 2 54 . 1 1 7 7 ILE C C 13 175.073 0.100 . 1 . . . A 7 ILE C . 25807 2 55 . 1 1 7 7 ILE CA C 13 60.522 0.100 . 1 . . . A 7 ILE CA . 25807 2 56 . 1 1 7 7 ILE CG2 C 13 18.414 0.100 . 1 . . . A 7 ILE CG2 . 25807 2 57 . 1 1 7 7 ILE N N 15 125.591 0.100 . 1 . . . A 7 ILE N . 25807 2 58 . 1 1 8 8 ASN H H 1 9.039 0.010 . 1 . . . A 8 ASN H . 25807 2 59 . 1 1 8 8 ASN HA H 1 5.313 0.010 . 1 . . . A 8 ASN HA . 25807 2 60 . 1 1 8 8 ASN HB2 H 1 2.992 0.010 . 1 . . . A 8 ASN HB2 . 25807 2 61 . 1 1 8 8 ASN HB3 H 1 2.536 0.010 . 1 . . . A 8 ASN HB3 . 25807 2 62 . 1 1 8 8 ASN C C 13 175.592 0.100 . 1 . . . A 8 ASN C . 25807 2 63 . 1 1 8 8 ASN CA C 13 50.718 0.100 . 1 . . . A 8 ASN CA . 25807 2 64 . 1 1 8 8 ASN N N 15 129.173 0.100 . 1 . . . A 8 ASN N . 25807 2 65 . 1 1 9 9 GLY H H 1 7.984 0.010 . 1 . . . A 9 GLY H . 25807 2 66 . 1 1 9 9 GLY HA2 H 1 4.450 0.010 . 1 . . . A 9 GLY HA2 . 25807 2 67 . 1 1 9 9 GLY HA3 H 1 4.091 0.010 . 1 . . . A 9 GLY HA3 . 25807 2 68 . 1 1 9 9 GLY C C 13 173.645 0.100 . 1 . . . A 9 GLY C . 25807 2 69 . 1 1 9 9 GLY CA C 13 44.398 0.100 . 1 . . . A 9 GLY CA . 25807 2 70 . 1 1 9 9 GLY N N 15 110.433 0.100 . 1 . . . A 9 GLY N . 25807 2 71 . 1 1 10 10 LYS H H 1 9.577 0.010 . 1 . . . A 10 LYS H . 25807 2 72 . 1 1 10 10 LYS HA H 1 4.090 0.010 . 1 . . . A 10 LYS HA . 25807 2 73 . 1 1 10 10 LYS HB2 H 1 1.843 0.010 . 1 . . . A 10 LYS HB2 . 25807 2 74 . 1 1 10 10 LYS HB3 H 1 1.843 0.010 . 1 . . . A 10 LYS HB3 . 25807 2 75 . 1 1 10 10 LYS C C 13 178.974 0.100 . 1 . . . A 10 LYS C . 25807 2 76 . 1 1 10 10 LYS CA C 13 58.988 0.100 . 1 . . . A 10 LYS CA . 25807 2 77 . 1 1 10 10 LYS N N 15 120.798 0.100 . 1 . . . A 10 LYS N . 25807 2 78 . 1 1 11 11 THR H H 1 8.836 0.010 . 1 . . . A 11 THR H . 25807 2 79 . 1 1 11 11 THR HA H 1 4.412 0.010 . 1 . . . A 11 THR HA . 25807 2 80 . 1 1 11 11 THR HB H 1 4.198 0.010 . 1 . . . A 11 THR HB . 25807 2 81 . 1 1 11 11 THR HG21 H 1 1.144 0.010 . 1 . . . A 11 THR HG21 . 25807 2 82 . 1 1 11 11 THR HG22 H 1 1.144 0.010 . 1 . . . A 11 THR HG22 . 25807 2 83 . 1 1 11 11 THR HG23 H 1 1.144 0.010 . 1 . . . A 11 THR HG23 . 25807 2 84 . 1 1 11 11 THR C C 13 173.755 0.100 . 1 . . . A 11 THR C . 25807 2 85 . 1 1 11 11 THR CA C 13 62.026 0.100 . 1 . . . A 11 THR CA . 25807 2 86 . 1 1 11 11 THR CG2 C 13 21.605 0.100 . 1 . . . A 11 THR CG2 . 25807 2 87 . 1 1 11 11 THR N N 15 108.932 0.100 . 1 . . . A 11 THR N . 25807 2 88 . 1 1 12 12 LEU H H 1 7.640 0.010 . 1 . . . A 12 LEU H . 25807 2 89 . 1 1 12 12 LEU HA H 1 4.455 0.010 . 1 . . . A 12 LEU HA . 25807 2 90 . 1 1 12 12 LEU HB2 H 1 1.618 0.010 . 1 . . . A 12 LEU HB2 . 25807 2 91 . 1 1 12 12 LEU HB3 H 1 1.406 0.010 . 1 . . . A 12 LEU HB3 . 25807 2 92 . 1 1 12 12 LEU C C 13 173.437 0.100 . 1 . . . A 12 LEU C . 25807 2 93 . 1 1 12 12 LEU CA C 13 54.907 0.100 . 1 . . . A 12 LEU CA . 25807 2 94 . 1 1 12 12 LEU N N 15 125.856 0.100 . 1 . . . A 12 LEU N . 25807 2 95 . 1 1 13 13 LYS H H 1 8.190 0.010 . 1 . . . A 13 LYS H . 25807 2 96 . 1 1 13 13 LYS HA H 1 5.153 0.010 . 1 . . . A 13 LYS HA . 25807 2 97 . 1 1 13 13 LYS HB2 H 1 1.906 0.010 . 1 . . . A 13 LYS HB2 . 25807 2 98 . 1 1 13 13 LYS HB3 H 1 1.751 0.010 . 1 . . . A 13 LYS HB3 . 25807 2 99 . 1 1 13 13 LYS C C 13 176.452 0.100 . 1 . . . A 13 LYS C . 25807 2 100 . 1 1 13 13 LYS CA C 13 53.773 0.100 . 1 . . . A 13 LYS CA . 25807 2 101 . 1 1 13 13 LYS N N 15 123.783 0.100 . 1 . . . A 13 LYS N . 25807 2 102 . 1 1 14 14 GLY H H 1 8.375 0.010 . 1 . . . A 14 GLY H . 25807 2 103 . 1 1 14 14 GLY HA2 H 1 4.153 0.010 . 1 . . . A 14 GLY HA2 . 25807 2 104 . 1 1 14 14 GLY HA3 H 1 4.259 0.010 . 1 . . . A 14 GLY HA3 . 25807 2 105 . 1 1 14 14 GLY C C 13 171.192 0.100 . 1 . . . A 14 GLY C . 25807 2 106 . 1 1 14 14 GLY CA C 13 45.099 0.100 . 1 . . . A 14 GLY CA . 25807 2 107 . 1 1 14 14 GLY N N 15 109.375 0.100 . 1 . . . A 14 GLY N . 25807 2 108 . 1 1 15 15 GLU H H 1 8.466 0.010 . 1 . . . A 15 GLU H . 25807 2 109 . 1 1 15 15 GLU HA H 1 5.639 0.010 . 1 . . . A 15 GLU HA . 25807 2 110 . 1 1 15 15 GLU HB2 H 1 2.058 0.010 . 2 . . . A 15 GLU HB2 . 25807 2 111 . 1 1 15 15 GLU HB3 H 1 1.939 0.010 . 2 . . . A 15 GLU HB3 . 25807 2 112 . 1 1 15 15 GLU C C 13 175.468 0.100 . 1 . . . A 15 GLU C . 25807 2 113 . 1 1 15 15 GLU CA C 13 54.511 0.100 . 1 . . . A 15 GLU CA . 25807 2 114 . 1 1 15 15 GLU N N 15 118.289 0.100 . 1 . . . A 15 GLU N . 25807 2 115 . 1 1 16 16 THR H H 1 8.872 0.010 . 1 . . . A 16 THR H . 25807 2 116 . 1 1 16 16 THR HA H 1 4.751 0.010 . 1 . . . A 16 THR HA . 25807 2 117 . 1 1 16 16 THR HB H 1 3.947 0.010 . 1 . . . A 16 THR HB . 25807 2 118 . 1 1 16 16 THR HG21 H 1 0.474 0.010 . 1 . . . A 16 THR HG21 . 25807 2 119 . 1 1 16 16 THR HG22 H 1 0.474 0.010 . 1 . . . A 16 THR HG22 . 25807 2 120 . 1 1 16 16 THR HG23 H 1 0.474 0.010 . 1 . . . A 16 THR HG23 . 25807 2 121 . 1 1 16 16 THR C C 13 172.152 0.100 . 1 . . . A 16 THR C . 25807 2 122 . 1 1 16 16 THR CA C 13 60.485 0.100 . 1 . . . A 16 THR CA . 25807 2 123 . 1 1 16 16 THR CG2 C 13 19.040 0.100 . 1 . . . A 16 THR CG2 . 25807 2 124 . 1 1 16 16 THR N N 15 115.678 0.100 . 1 . . . A 16 THR N . 25807 2 125 . 1 1 17 17 THR H H 1 8.181 0.010 . 1 . . . A 17 THR H . 25807 2 126 . 1 1 17 17 THR HA H 1 5.820 0.010 . 1 . . . A 17 THR HA . 25807 2 127 . 1 1 17 17 THR HB H 1 4.305 0.010 . 1 . . . A 17 THR HB . 25807 2 128 . 1 1 17 17 THR HG21 H 1 1.220 0.010 . 1 . . . A 17 THR HG21 . 25807 2 129 . 1 1 17 17 THR HG22 H 1 1.220 0.010 . 1 . . . A 17 THR HG22 . 25807 2 130 . 1 1 17 17 THR HG23 H 1 1.220 0.010 . 1 . . . A 17 THR HG23 . 25807 2 131 . 1 1 17 17 THR C C 13 173.889 0.100 . 1 . . . A 17 THR C . 25807 2 132 . 1 1 17 17 THR CA C 13 59.827 0.100 . 1 . . . A 17 THR CA . 25807 2 133 . 1 1 17 17 THR CG2 C 13 21.123 0.100 . 1 . . . A 17 THR CG2 . 25807 2 134 . 1 1 17 17 THR N N 15 111.778 0.100 . 1 . . . A 17 THR N . 25807 2 135 . 1 1 18 18 THR H H 1 8.979 0.010 . 1 . . . A 18 THR H . 25807 2 136 . 1 1 18 18 THR HA H 1 4.671 0.010 . 1 . . . A 18 THR HA . 25807 2 137 . 1 1 18 18 THR HB H 1 3.809 0.010 . 1 . . . A 18 THR HB . 25807 2 138 . 1 1 18 18 THR HG21 H 1 0.461 0.010 . 1 . . . A 18 THR HG21 . 25807 2 139 . 1 1 18 18 THR HG22 H 1 0.461 0.010 . 1 . . . A 18 THR HG22 . 25807 2 140 . 1 1 18 18 THR HG23 H 1 0.461 0.010 . 1 . . . A 18 THR HG23 . 25807 2 141 . 1 1 18 18 THR C C 13 171.176 0.100 . 1 . . . A 18 THR C . 25807 2 142 . 1 1 18 18 THR CA C 13 61.917 0.100 . 1 . . . A 18 THR CA . 25807 2 143 . 1 1 18 18 THR CG2 C 13 19.129 0.100 . 1 . . . A 18 THR CG2 . 25807 2 144 . 1 1 18 18 THR N N 15 115.170 0.100 . 1 . . . A 18 THR N . 25807 2 145 . 1 1 19 19 LYS H H 1 7.999 0.010 . 1 . . . A 19 LYS H . 25807 2 146 . 1 1 19 19 LYS HA H 1 5.359 0.010 . 1 . . . A 19 LYS HA . 25807 2 147 . 1 1 19 19 LYS HB2 H 1 1.759 0.010 . 1 . . . A 19 LYS HB2 . 25807 2 148 . 1 1 19 19 LYS HB3 H 1 1.759 0.010 . 1 . . . A 19 LYS HB3 . 25807 2 149 . 1 1 19 19 LYS C C 13 175.915 0.100 . 1 . . . A 19 LYS C . 25807 2 150 . 1 1 19 19 LYS CA C 13 54.933 0.100 . 1 . . . A 19 LYS CA . 25807 2 151 . 1 1 19 19 LYS N N 15 124.384 0.100 . 1 . . . A 19 LYS N . 25807 2 152 . 1 1 20 20 ALA H H 1 9.176 0.010 . 1 . . . A 20 ALA H . 25807 2 153 . 1 1 20 20 ALA HA H 1 4.817 0.010 . 1 . . . A 20 ALA HA . 25807 2 154 . 1 1 20 20 ALA HB1 H 1 1.370 0.010 . 1 . . . A 20 ALA HB1 . 25807 2 155 . 1 1 20 20 ALA HB2 H 1 1.370 0.010 . 1 . . . A 20 ALA HB2 . 25807 2 156 . 1 1 20 20 ALA HB3 H 1 1.370 0.010 . 1 . . . A 20 ALA HB3 . 25807 2 157 . 1 1 20 20 ALA C C 13 177.437 0.100 . 1 . . . A 20 ALA C . 25807 2 158 . 1 1 20 20 ALA CA C 13 50.880 0.100 . 1 . . . A 20 ALA CA . 25807 2 159 . 1 1 20 20 ALA N N 15 124.802 0.100 . 1 . . . A 20 ALA N . 25807 2 160 . 1 1 21 21 VAL H H 1 8.551 0.010 . 1 . . . A 21 VAL H . 25807 2 161 . 1 1 21 21 VAL HA H 1 4.136 0.010 . 1 . . . A 21 VAL HA . 25807 2 162 . 1 1 21 21 VAL HB H 1 2.215 0.010 . 1 . . . A 21 VAL HB . 25807 2 163 . 1 1 21 21 VAL HG11 H 1 1.010 0.010 . 1 . . . A 21 VAL HG11 . 25807 2 164 . 1 1 21 21 VAL HG12 H 1 1.010 0.010 . 1 . . . A 21 VAL HG12 . 25807 2 165 . 1 1 21 21 VAL HG13 H 1 1.010 0.010 . 1 . . . A 21 VAL HG13 . 25807 2 166 . 1 1 21 21 VAL HG21 H 1 1.003 0.010 . 1 . . . A 21 VAL HG21 . 25807 2 167 . 1 1 21 21 VAL HG22 H 1 1.003 0.010 . 1 . . . A 21 VAL HG22 . 25807 2 168 . 1 1 21 21 VAL HG23 H 1 1.003 0.010 . 1 . . . A 21 VAL HG23 . 25807 2 169 . 1 1 21 21 VAL C C 13 174.961 0.100 . 1 . . . A 21 VAL C . 25807 2 170 . 1 1 21 21 VAL CA C 13 63.308 0.100 . 1 . . . A 21 VAL CA . 25807 2 171 . 1 1 21 21 VAL CG1 C 13 20.776 0.100 . 1 . . . A 21 VAL CG1 . 25807 2 172 . 1 1 21 21 VAL CG2 C 13 19.857 0.100 . 1 . . . A 21 VAL CG2 . 25807 2 173 . 1 1 21 21 VAL N N 15 115.439 0.100 . 1 . . . A 21 VAL N . 25807 2 174 . 1 1 22 22 ASP H H 1 7.373 0.010 . 1 . . . A 22 ASP H . 25807 2 175 . 1 1 22 22 ASP HA H 1 4.754 0.010 . 1 . . . A 22 ASP HA . 25807 2 176 . 1 1 22 22 ASP HB2 H 1 2.956 0.010 . 1 . . . A 22 ASP HB2 . 25807 2 177 . 1 1 22 22 ASP HB3 H 1 3.117 0.010 . 1 . . . A 22 ASP HB3 . 25807 2 178 . 1 1 22 22 ASP C C 13 174.798 0.100 . 1 . . . A 22 ASP C . 25807 2 179 . 1 1 22 22 ASP CA C 13 52.514 0.100 . 1 . . . A 22 ASP CA . 25807 2 180 . 1 1 22 22 ASP N N 15 115.403 0.100 . 1 . . . A 22 ASP N . 25807 2 181 . 1 1 23 23 ALA H H 1 8.393 0.010 . 1 . . . A 23 ALA H . 25807 2 182 . 1 1 23 23 ALA HA H 1 3.374 0.010 . 1 . . . A 23 ALA HA . 25807 2 183 . 1 1 23 23 ALA HB1 H 1 1.208 0.010 . 1 . . . A 23 ALA HB1 . 25807 2 184 . 1 1 23 23 ALA HB2 H 1 1.208 0.010 . 1 . . . A 23 ALA HB2 . 25807 2 185 . 1 1 23 23 ALA HB3 H 1 1.208 0.010 . 1 . . . A 23 ALA HB3 . 25807 2 186 . 1 1 23 23 ALA C C 13 179.383 0.100 . 1 . . . A 23 ALA C . 25807 2 187 . 1 1 23 23 ALA CA C 13 54.559 0.100 . 1 . . . A 23 ALA CA . 25807 2 188 . 1 1 23 23 ALA N N 15 121.205 0.100 . 1 . . . A 23 ALA N . 25807 2 189 . 1 1 24 24 GLU H H 1 8.487 0.010 . 1 . . . A 24 GLU H . 25807 2 190 . 1 1 24 24 GLU HA H 1 3.886 0.010 . 1 . . . A 24 GLU HA . 25807 2 191 . 1 1 24 24 GLU HB2 H 1 1.827 0.010 . 1 . . . A 24 GLU HB2 . 25807 2 192 . 1 1 24 24 GLU HB3 H 1 2.003 0.010 . 1 . . . A 24 GLU HB3 . 25807 2 193 . 1 1 24 24 GLU C C 13 179.303 0.100 . 1 . . . A 24 GLU C . 25807 2 194 . 1 1 24 24 GLU CA C 13 66.844 0.100 . 1 . . . A 24 GLU CA . 25807 2 195 . 1 1 24 24 GLU N N 15 119.144 0.100 . 1 . . . A 24 GLU N . 25807 2 196 . 1 1 25 25 THR H H 1 8.409 0.010 . 1 . . . A 25 THR H . 25807 2 197 . 1 1 25 25 THR HA H 1 3.705 0.010 . 1 . . . A 25 THR HA . 25807 2 198 . 1 1 25 25 THR HB H 1 4.027 0.010 . 1 . . . A 25 THR HB . 25807 2 199 . 1 1 25 25 THR HG21 H 1 1.256 0.010 . 1 . . . A 25 THR HG21 . 25807 2 200 . 1 1 25 25 THR HG22 H 1 1.256 0.010 . 1 . . . A 25 THR HG22 . 25807 2 201 . 1 1 25 25 THR HG23 H 1 1.256 0.010 . 1 . . . A 25 THR HG23 . 25807 2 202 . 1 1 25 25 THR C C 13 177.049 0.100 . 1 . . . A 25 THR C . 25807 2 203 . 1 1 25 25 THR CA C 13 66.844 0.100 . 1 . . . A 25 THR CA . 25807 2 204 . 1 1 25 25 THR CG2 C 13 21.194 0.100 . 1 . . . A 25 THR CG2 . 25807 2 205 . 1 1 25 25 THR N N 15 117.485 0.100 . 1 . . . A 25 THR N . 25807 2 206 . 1 1 26 26 ALA H H 1 7.297 0.010 . 1 . . . A 26 ALA H . 25807 2 207 . 1 1 26 26 ALA HA H 1 3.224 0.010 . 1 . . . A 26 ALA HA . 25807 2 208 . 1 1 26 26 ALA HB1 H 1 0.520 0.010 . 1 . . . A 26 ALA HB1 . 25807 2 209 . 1 1 26 26 ALA HB2 H 1 0.520 0.010 . 1 . . . A 26 ALA HB2 . 25807 2 210 . 1 1 26 26 ALA HB3 H 1 0.520 0.010 . 1 . . . A 26 ALA HB3 . 25807 2 211 . 1 1 26 26 ALA C C 13 177.059 0.100 . 1 . . . A 26 ALA C . 25807 2 212 . 1 1 26 26 ALA CA C 13 54.744 0.100 . 1 . . . A 26 ALA CA . 25807 2 213 . 1 1 26 26 ALA N N 15 125.393 0.100 . 1 . . . A 26 ALA N . 25807 2 214 . 1 1 27 27 GLU H H 1 8.414 0.010 . 1 . . . A 27 GLU H . 25807 2 215 . 1 1 27 27 GLU HA H 1 2.620 0.010 . 1 . . . A 27 GLU HA . 25807 2 216 . 1 1 27 27 GLU HB2 H 1 1.872 0.010 . 1 . . . A 27 GLU HB2 . 25807 2 217 . 1 1 27 27 GLU HB3 H 1 1.957 0.010 . 1 . . . A 27 GLU HB3 . 25807 2 218 . 1 1 27 27 GLU C C 13 177.724 0.100 . 1 . . . A 27 GLU C . 25807 2 219 . 1 1 27 27 GLU CA C 13 59.661 0.100 . 1 . . . A 27 GLU CA . 25807 2 220 . 1 1 27 27 GLU N N 15 117.518 0.100 . 1 . . . A 27 GLU N . 25807 2 221 . 1 1 28 28 LYS H H 1 7.222 0.010 . 1 . . . A 28 LYS H . 25807 2 222 . 1 1 28 28 LYS HA H 1 3.697 0.010 . 1 . . . A 28 LYS HA . 25807 2 223 . 1 1 28 28 LYS HB2 H 1 1.771 0.010 . 1 . . . A 28 LYS HB2 . 25807 2 224 . 1 1 28 28 LYS HB3 H 1 1.771 0.010 . 1 . . . A 28 LYS HB3 . 25807 2 225 . 1 1 28 28 LYS C C 13 179.602 0.100 . 1 . . . A 28 LYS C . 25807 2 226 . 1 1 28 28 LYS CA C 13 59.594 0.100 . 1 . . . A 28 LYS CA . 25807 2 227 . 1 1 28 28 LYS N N 15 116.425 0.100 . 1 . . . A 28 LYS N . 25807 2 228 . 1 1 29 29 ALA H H 1 7.261 0.010 . 1 . . . A 29 ALA H . 25807 2 229 . 1 1 29 29 ALA HA H 1 4.127 0.010 . 1 . . . A 29 ALA HA . 25807 2 230 . 1 1 29 29 ALA HB1 H 1 1.231 0.010 . 1 . . . A 29 ALA HB1 . 25807 2 231 . 1 1 29 29 ALA HB2 H 1 1.231 0.010 . 1 . . . A 29 ALA HB2 . 25807 2 232 . 1 1 29 29 ALA HB3 H 1 1.231 0.010 . 1 . . . A 29 ALA HB3 . 25807 2 233 . 1 1 29 29 ALA C C 13 181.665 0.100 . 1 . . . A 29 ALA C . 25807 2 234 . 1 1 29 29 ALA CA C 13 54.684 0.100 . 1 . . . A 29 ALA CA . 25807 2 235 . 1 1 29 29 ALA N N 15 122.275 0.100 . 1 . . . A 29 ALA N . 25807 2 236 . 1 1 30 30 PHE H H 1 8.657 0.010 . 1 . . . A 30 PHE H . 25807 2 237 . 1 1 30 30 PHE HA H 1 4.820 0.010 . 1 . . . A 30 PHE HA . 25807 2 238 . 1 1 30 30 PHE HB2 H 1 3.370 0.010 . 1 . . . A 30 PHE HB2 . 25807 2 239 . 1 1 30 30 PHE HB3 H 1 2.870 0.010 . 1 . . . A 30 PHE HB3 . 25807 2 240 . 1 1 30 30 PHE C C 13 178.365 0.100 . 1 . . . A 30 PHE C . 25807 2 241 . 1 1 30 30 PHE CA C 13 56.562 0.100 . 1 . . . A 30 PHE CA . 25807 2 242 . 1 1 30 30 PHE N N 15 119.881 0.100 . 1 . . . A 30 PHE N . 25807 2 243 . 1 1 31 31 LYS H H 1 9.077 0.010 . 1 . . . A 31 LYS H . 25807 2 244 . 1 1 31 31 LYS HA H 1 4.130 0.010 . 1 . . . A 31 LYS HA . 25807 2 245 . 1 1 31 31 LYS HB2 H 1 1.554 0.010 . 1 . . . A 31 LYS HB2 . 25807 2 246 . 1 1 31 31 LYS HB3 H 1 1.650 0.010 . 1 . . . A 31 LYS HB3 . 25807 2 247 . 1 1 31 31 LYS C C 13 179.503 0.100 . 1 . . . A 31 LYS C . 25807 2 248 . 1 1 31 31 LYS CA C 13 59.790 0.100 . 1 . . . A 31 LYS CA . 25807 2 249 . 1 1 31 31 LYS N N 15 122.999 0.100 . 1 . . . A 31 LYS N . 25807 2 250 . 1 1 32 32 GLN H H 1 7.549 0.010 . 1 . . . A 32 GLN H . 25807 2 251 . 1 1 32 32 GLN HA H 1 4.054 0.010 . 1 . . . A 32 GLN HA . 25807 2 252 . 1 1 32 32 GLN HB2 H 1 2.222 0.010 . 1 . . . A 32 GLN HB2 . 25807 2 253 . 1 1 32 32 GLN HB3 H 1 1.222 0.010 . 1 . . . A 32 GLN HB3 . 25807 2 254 . 1 1 32 32 GLN C C 13 177.105 0.100 . 1 . . . A 32 GLN C . 25807 2 255 . 1 1 32 32 GLN CA C 13 58.763 0.100 . 1 . . . A 32 GLN CA . 25807 2 256 . 1 1 32 32 GLN N N 15 119.718 0.100 . 1 . . . A 32 GLN N . 25807 2 257 . 1 1 33 33 TYR H H 1 8.123 0.010 . 1 . . . A 33 TYR H . 25807 2 258 . 1 1 33 33 TYR HA H 1 4.274 0.010 . 1 . . . A 33 TYR HA . 25807 2 259 . 1 1 33 33 TYR HB2 H 1 3.348 0.010 . 1 . . . A 33 TYR HB2 . 25807 2 260 . 1 1 33 33 TYR HB3 H 1 3.316 0.010 . 1 . . . A 33 TYR HB3 . 25807 2 261 . 1 1 33 33 TYR C C 13 178.984 0.100 . 1 . . . A 33 TYR C . 25807 2 262 . 1 1 33 33 TYR CA C 13 61.745 0.100 . 1 . . . A 33 TYR CA . 25807 2 263 . 1 1 33 33 TYR N N 15 120.506 0.100 . 1 . . . A 33 TYR N . 25807 2 264 . 1 1 34 34 ALA H H 1 9.260 0.010 . 1 . . . A 34 ALA H . 25807 2 265 . 1 1 34 34 ALA HA H 1 3.815 0.010 . 1 . . . A 34 ALA HA . 25807 2 266 . 1 1 34 34 ALA HB1 H 1 1.859 0.010 . 1 . . . A 34 ALA HB1 . 25807 2 267 . 1 1 34 34 ALA HB2 H 1 1.859 0.010 . 1 . . . A 34 ALA HB2 . 25807 2 268 . 1 1 34 34 ALA HB3 H 1 1.859 0.010 . 1 . . . A 34 ALA HB3 . 25807 2 269 . 1 1 34 34 ALA C C 13 179.404 0.100 . 1 . . . A 34 ALA C . 25807 2 270 . 1 1 34 34 ALA CA C 13 56.178 0.100 . 1 . . . A 34 ALA CA . 25807 2 271 . 1 1 34 34 ALA N N 15 122.582 0.100 . 1 . . . A 34 ALA N . 25807 2 272 . 1 1 35 35 ASN H H 1 8.428 0.010 . 1 . . . A 35 ASN H . 25807 2 273 . 1 1 35 35 ASN HA H 1 4.484 0.010 . 1 . . . A 35 ASN HA . 25807 2 274 . 1 1 35 35 ASN HB2 H 1 2.940 0.010 . 1 . . . A 35 ASN HB2 . 25807 2 275 . 1 1 35 35 ASN HB3 H 1 2.979 0.010 . 1 . . . A 35 ASN HB3 . 25807 2 276 . 1 1 35 35 ASN C C 13 179.354 0.100 . 1 . . . A 35 ASN C . 25807 2 277 . 1 1 35 35 ASN CA C 13 56.816 0.100 . 1 . . . A 35 ASN CA . 25807 2 278 . 1 1 35 35 ASN N N 15 118.014 0.100 . 1 . . . A 35 ASN N . 25807 2 279 . 1 1 36 36 ASP H H 1 8.887 0.010 . 1 . . . A 36 ASP H . 25807 2 280 . 1 1 36 36 ASP HA H 1 4.379 0.010 . 1 . . . A 36 ASP HA . 25807 2 281 . 1 1 36 36 ASP HB2 H 1 2.572 0.010 . 1 . . . A 36 ASP HB2 . 25807 2 282 . 1 1 36 36 ASP HB3 H 1 3.735 0.010 . 1 . . . A 36 ASP HB3 . 25807 2 283 . 1 1 36 36 ASP C C 13 177.099 0.100 . 1 . . . A 36 ASP C . 25807 2 284 . 1 1 36 36 ASP CA C 13 56.832 0.100 . 1 . . . A 36 ASP CA . 25807 2 285 . 1 1 36 36 ASP N N 15 121.320 0.100 . 1 . . . A 36 ASP N . 25807 2 286 . 1 1 37 37 ASN H H 1 7.430 0.010 . 1 . . . A 37 ASN H . 25807 2 287 . 1 1 37 37 ASN HA H 1 4.638 0.010 . 1 . . . A 37 ASN HA . 25807 2 288 . 1 1 37 37 ASN HB2 H 1 2.710 0.010 . 1 . . . A 37 ASN HB2 . 25807 2 289 . 1 1 37 37 ASN HB3 H 1 2.105 0.010 . 1 . . . A 37 ASN HB3 . 25807 2 290 . 1 1 37 37 ASN C C 13 174.019 0.100 . 1 . . . A 37 ASN C . 25807 2 291 . 1 1 37 37 ASN CA C 13 53.665 0.100 . 1 . . . A 37 ASN CA . 25807 2 292 . 1 1 37 37 ASN N N 15 115.393 0.100 . 1 . . . A 37 ASN N . 25807 2 293 . 1 1 38 38 GLY H H 1 7.839 0.010 . 1 . . . A 38 GLY H . 25807 2 294 . 1 1 38 38 GLY HA2 H 1 3.943 0.010 . 1 . . . A 38 GLY HA2 . 25807 2 295 . 1 1 38 38 GLY HA3 H 1 3.943 0.010 . 1 . . . A 38 GLY HA3 . 25807 2 296 . 1 1 38 38 GLY C C 13 174.206 0.100 . 1 . . . A 38 GLY C . 25807 2 297 . 1 1 38 38 GLY CA C 13 46.827 0.100 . 1 . . . A 38 GLY CA . 25807 2 298 . 1 1 38 38 GLY N N 15 108.250 0.100 . 1 . . . A 38 GLY N . 25807 2 299 . 1 1 39 39 VAL H H 1 8.171 0.010 . 1 . . . A 39 VAL H . 25807 2 300 . 1 1 39 39 VAL HA H 1 4.170 0.010 . 1 . . . A 39 VAL HA . 25807 2 301 . 1 1 39 39 VAL HB H 1 1.787 0.010 . 1 . . . A 39 VAL HB . 25807 2 302 . 1 1 39 39 VAL HG11 H 1 0.687 0.010 . 1 . . . A 39 VAL HG11 . 25807 2 303 . 1 1 39 39 VAL HG12 H 1 0.687 0.010 . 1 . . . A 39 VAL HG12 . 25807 2 304 . 1 1 39 39 VAL HG13 H 1 0.687 0.010 . 1 . . . A 39 VAL HG13 . 25807 2 305 . 1 1 39 39 VAL HG21 H 1 0.822 0.010 . 1 . . . A 39 VAL HG21 . 25807 2 306 . 1 1 39 39 VAL HG22 H 1 0.822 0.010 . 1 . . . A 39 VAL HG22 . 25807 2 307 . 1 1 39 39 VAL HG23 H 1 0.822 0.010 . 1 . . . A 39 VAL HG23 . 25807 2 308 . 1 1 39 39 VAL C C 13 174.302 0.100 . 1 . . . A 39 VAL C . 25807 2 309 . 1 1 39 39 VAL CA C 13 61.649 0.100 . 1 . . . A 39 VAL CA . 25807 2 310 . 1 1 39 39 VAL CG1 C 13 21.325 0.100 . 1 . . . A 39 VAL CG1 . 25807 2 311 . 1 1 39 39 VAL CG2 C 13 21.466 0.100 . 1 . . . A 39 VAL CG2 . 25807 2 312 . 1 1 39 39 VAL N N 15 120.847 0.100 . 1 . . . A 39 VAL N . 25807 2 313 . 1 1 40 40 ASP H H 1 8.819 0.010 . 1 . . . A 40 ASP H . 25807 2 314 . 1 1 40 40 ASP HA H 1 4.922 0.010 . 1 . . . A 40 ASP HA . 25807 2 315 . 1 1 40 40 ASP HB2 H 1 2.766 0.010 . 1 . . . A 40 ASP HB2 . 25807 2 316 . 1 1 40 40 ASP HB3 H 1 2.590 0.010 . 1 . . . A 40 ASP HB3 . 25807 2 317 . 1 1 40 40 ASP C C 13 174.362 0.100 . 1 . . . A 40 ASP C . 25807 2 318 . 1 1 40 40 ASP CA C 13 52.694 0.100 . 1 . . . A 40 ASP CA . 25807 2 319 . 1 1 40 40 ASP N N 15 128.264 0.100 . 1 . . . A 40 ASP N . 25807 2 320 . 1 1 41 41 GLY H H 1 7.974 0.010 . 1 . . . A 41 GLY H . 25807 2 321 . 1 1 41 41 GLY HA2 H 1 4.376 0.010 . 1 . . . A 41 GLY HA2 . 25807 2 322 . 1 1 41 41 GLY HA3 H 1 3.559 0.010 . 1 . . . A 41 GLY HA3 . 25807 2 323 . 1 1 41 41 GLY C C 13 171.985 0.100 . 1 . . . A 41 GLY C . 25807 2 324 . 1 1 41 41 GLY CA C 13 45.240 0.100 . 1 . . . A 41 GLY CA . 25807 2 325 . 1 1 41 41 GLY N N 15 107.402 0.100 . 1 . . . A 41 GLY N . 25807 2 326 . 1 1 42 42 VAL H H 1 8.293 0.010 . 1 . . . A 42 VAL H . 25807 2 327 . 1 1 42 42 VAL HA H 1 4.398 0.010 . 1 . . . A 42 VAL HA . 25807 2 328 . 1 1 42 42 VAL HB H 1 1.982 0.010 . 1 . . . A 42 VAL HB . 25807 2 329 . 1 1 42 42 VAL HG11 H 1 1.010 0.010 . 1 . . . A 42 VAL HG11 . 25807 2 330 . 1 1 42 42 VAL HG12 H 1 1.010 0.010 . 1 . . . A 42 VAL HG12 . 25807 2 331 . 1 1 42 42 VAL HG13 H 1 1.010 0.010 . 1 . . . A 42 VAL HG13 . 25807 2 332 . 1 1 42 42 VAL HG21 H 1 1.069 0.010 . 1 . . . A 42 VAL HG21 . 25807 2 333 . 1 1 42 42 VAL HG22 H 1 1.069 0.010 . 1 . . . A 42 VAL HG22 . 25807 2 334 . 1 1 42 42 VAL HG23 H 1 1.069 0.010 . 1 . . . A 42 VAL HG23 . 25807 2 335 . 1 1 42 42 VAL C C 13 176.957 0.100 . 1 . . . A 42 VAL C . 25807 2 336 . 1 1 42 42 VAL CA C 13 62.055 0.100 . 1 . . . A 42 VAL CA . 25807 2 337 . 1 1 42 42 VAL CG1 C 13 21.256 0.100 . 1 . . . A 42 VAL CG1 . 25807 2 338 . 1 1 42 42 VAL CG2 C 13 21.294 0.100 . 1 . . . A 42 VAL CG2 . 25807 2 339 . 1 1 42 42 VAL N N 15 120.419 0.100 . 1 . . . A 42 VAL N . 25807 2 340 . 1 1 43 43 TRP H H 1 9.405 0.010 . 1 . . . A 43 TRP H . 25807 2 341 . 1 1 43 43 TRP HA H 1 5.375 0.010 . 1 . . . A 43 TRP HA . 25807 2 342 . 1 1 43 43 TRP HB2 H 1 3.370 0.010 . 1 . . . A 43 TRP HB2 . 25807 2 343 . 1 1 43 43 TRP HB3 H 1 3.173 0.010 . 1 . . . A 43 TRP HB3 . 25807 2 344 . 1 1 43 43 TRP C C 13 176.990 0.100 . 1 . . . A 43 TRP C . 25807 2 345 . 1 1 43 43 TRP CA C 13 57.690 0.100 . 1 . . . A 43 TRP CA . 25807 2 346 . 1 1 43 43 TRP N N 15 131.243 0.100 . 1 . . . A 43 TRP N . 25807 2 347 . 1 1 44 44 THR H H 1 9.455 0.010 . 1 . . . A 44 THR H . 25807 2 348 . 1 1 44 44 THR HA H 1 4.847 0.010 . 1 . . . A 44 THR HA . 25807 2 349 . 1 1 44 44 THR HB H 1 4.284 0.010 . 1 . . . A 44 THR HB . 25807 2 350 . 1 1 44 44 THR HG21 H 1 1.200 0.010 . 1 . . . A 44 THR HG21 . 25807 2 351 . 1 1 44 44 THR HG22 H 1 1.200 0.010 . 1 . . . A 44 THR HG22 . 25807 2 352 . 1 1 44 44 THR HG23 H 1 1.200 0.010 . 1 . . . A 44 THR HG23 . 25807 2 353 . 1 1 44 44 THR C C 13 172.831 0.100 . 1 . . . A 44 THR C . 25807 2 354 . 1 1 44 44 THR CA C 13 60.180 0.100 . 1 . . . A 44 THR CA . 25807 2 355 . 1 1 44 44 THR CG2 C 13 22.182 0.100 . 1 . . . A 44 THR CG2 . 25807 2 356 . 1 1 44 44 THR N N 15 114.691 0.100 . 1 . . . A 44 THR N . 25807 2 357 . 1 1 45 45 TYR H H 1 8.633 0.010 . 1 . . . A 45 TYR H . 25807 2 358 . 1 1 45 45 TYR HA H 1 4.999 0.010 . 1 . . . A 45 TYR HA . 25807 2 359 . 1 1 45 45 TYR HB2 H 1 2.515 0.010 . 1 . . . A 45 TYR HB2 . 25807 2 360 . 1 1 45 45 TYR HB3 H 1 2.915 0.010 . 1 . . . A 45 TYR HB3 . 25807 2 361 . 1 1 45 45 TYR C C 13 173.254 0.100 . 1 . . . A 45 TYR C . 25807 2 362 . 1 1 45 45 TYR CA C 13 56.877 0.100 . 1 . . . A 45 TYR CA . 25807 2 363 . 1 1 45 45 TYR N N 15 120.142 0.100 . 1 . . . A 45 TYR N . 25807 2 364 . 1 1 46 46 ASP H H 1 7.621 0.010 . 1 . . . A 46 ASP H . 25807 2 365 . 1 1 46 46 ASP HA H 1 4.605 0.010 . 1 . . . A 46 ASP HA . 25807 2 366 . 1 1 46 46 ASP HB2 H 1 2.610 0.010 . 1 . . . A 46 ASP HB2 . 25807 2 367 . 1 1 46 46 ASP HB3 H 1 2.273 0.010 . 1 . . . A 46 ASP HB3 . 25807 2 368 . 1 1 46 46 ASP C C 13 174.506 0.100 . 1 . . . A 46 ASP C . 25807 2 369 . 1 1 46 46 ASP CA C 13 51.710 0.100 . 1 . . . A 46 ASP CA . 25807 2 370 . 1 1 46 46 ASP N N 15 128.397 0.100 . 1 . . . A 46 ASP N . 25807 2 371 . 1 1 47 47 ASP H H 1 8.647 0.010 . 1 . . . A 47 ASP H . 25807 2 372 . 1 1 47 47 ASP HA H 1 4.144 0.010 . 1 . . . A 47 ASP HA . 25807 2 373 . 1 1 47 47 ASP HB2 H 1 2.529 0.010 . 1 . . . A 47 ASP HB2 . 25807 2 374 . 1 1 47 47 ASP HB3 H 1 2.854 0.010 . 1 . . . A 47 ASP HB3 . 25807 2 375 . 1 1 47 47 ASP C C 13 178.168 0.100 . 1 . . . A 47 ASP C . 25807 2 376 . 1 1 47 47 ASP CA C 13 56.303 0.100 . 1 . . . A 47 ASP CA . 25807 2 377 . 1 1 47 47 ASP N N 15 125.014 0.100 . 1 . . . A 47 ASP N . 25807 2 378 . 1 1 48 48 ALA H H 1 8.398 0.010 . 1 . . . A 48 ALA H . 25807 2 379 . 1 1 48 48 ALA HA H 1 4.604 0.010 . 1 . . . A 48 ALA HA . 25807 2 380 . 1 1 48 48 ALA HB1 H 1 1.519 0.010 . 1 . . . A 48 ALA HB1 . 25807 2 381 . 1 1 48 48 ALA HB2 H 1 1.519 0.010 . 1 . . . A 48 ALA HB2 . 25807 2 382 . 1 1 48 48 ALA HB3 H 1 1.519 0.010 . 1 . . . A 48 ALA HB3 . 25807 2 383 . 1 1 48 48 ALA C C 13 179.956 0.100 . 1 . . . A 48 ALA C . 25807 2 384 . 1 1 48 48 ALA CA C 13 51.711 0.100 . 1 . . . A 48 ALA CA . 25807 2 385 . 1 1 48 48 ALA N N 15 119.935 0.100 . 1 . . . A 48 ALA N . 25807 2 386 . 1 1 49 49 THR H H 1 7.051 0.010 . 1 . . . A 49 THR H . 25807 2 387 . 1 1 49 49 THR HA H 1 4.418 0.010 . 1 . . . A 49 THR HA . 25807 2 388 . 1 1 49 49 THR HB H 1 4.418 0.010 . 1 . . . A 49 THR HB . 25807 2 389 . 1 1 49 49 THR HG21 H 1 1.088 0.010 . 1 . . . A 49 THR HG21 . 25807 2 390 . 1 1 49 49 THR HG22 H 1 1.088 0.010 . 1 . . . A 49 THR HG22 . 25807 2 391 . 1 1 49 49 THR HG23 H 1 1.088 0.010 . 1 . . . A 49 THR HG23 . 25807 2 392 . 1 1 49 49 THR C C 13 175.263 0.100 . 1 . . . A 49 THR C . 25807 2 393 . 1 1 49 49 THR CA C 13 60.337 0.100 . 1 . . . A 49 THR CA . 25807 2 394 . 1 1 49 49 THR CG2 C 13 21.016 0.100 . 1 . . . A 49 THR CG2 . 25807 2 395 . 1 1 49 49 THR N N 15 103.249 0.100 . 1 . . . A 49 THR N . 25807 2 396 . 1 1 50 50 LYS H H 1 7.910 0.010 . 1 . . . A 50 LYS H . 25807 2 397 . 1 1 50 50 LYS HA H 1 4.227 0.010 . 1 . . . A 50 LYS HA . 25807 2 398 . 1 1 50 50 LYS HB2 H 1 2.063 0.010 . 1 . . . A 50 LYS HB2 . 25807 2 399 . 1 1 50 50 LYS HB3 H 1 2.127 0.010 . 1 . . . A 50 LYS HB3 . 25807 2 400 . 1 1 50 50 LYS C C 13 175.087 0.100 . 1 . . . A 50 LYS C . 25807 2 401 . 1 1 50 50 LYS CA C 13 56.210 0.100 . 1 . . . A 50 LYS CA . 25807 2 402 . 1 1 50 50 LYS N N 15 123.183 0.100 . 1 . . . A 50 LYS N . 25807 2 403 . 1 1 51 51 THR H H 1 7.452 0.010 . 1 . . . A 51 THR H . 25807 2 404 . 1 1 51 51 THR HA H 1 5.520 0.010 . 1 . . . A 51 THR HA . 25807 2 405 . 1 1 51 51 THR HB H 1 3.775 0.010 . 1 . . . A 51 THR HB . 25807 2 406 . 1 1 51 51 THR HG21 H 1 0.996 0.010 . 1 . . . A 51 THR HG21 . 25807 2 407 . 1 1 51 51 THR HG22 H 1 0.996 0.010 . 1 . . . A 51 THR HG22 . 25807 2 408 . 1 1 51 51 THR HG23 H 1 0.996 0.010 . 1 . . . A 51 THR HG23 . 25807 2 409 . 1 1 51 51 THR C C 13 175.017 0.100 . 1 . . . A 51 THR C . 25807 2 410 . 1 1 51 51 THR CA C 13 62.136 0.100 . 1 . . . A 51 THR CA . 25807 2 411 . 1 1 51 51 THR CG2 C 13 20.883 0.100 . 1 . . . A 51 THR CG2 . 25807 2 412 . 1 1 51 51 THR N N 15 111.246 0.100 . 1 . . . A 51 THR N . 25807 2 413 . 1 1 52 52 PHE H H 1 10.443 0.010 . 1 . . . A 52 PHE H . 25807 2 414 . 1 1 52 52 PHE HA H 1 5.662 0.010 . 1 . . . A 52 PHE HA . 25807 2 415 . 1 1 52 52 PHE HB2 H 1 3.235 0.010 . 1 . . . A 52 PHE HB2 . 25807 2 416 . 1 1 52 52 PHE HB3 H 1 3.287 0.010 . 1 . . . A 52 PHE HB3 . 25807 2 417 . 1 1 52 52 PHE C C 13 174.387 0.100 . 1 . . . A 52 PHE C . 25807 2 418 . 1 1 52 52 PHE CA C 13 57.281 0.100 . 1 . . . A 52 PHE CA . 25807 2 419 . 1 1 52 52 PHE N N 15 131.348 0.100 . 1 . . . A 52 PHE N . 25807 2 420 . 1 1 53 53 THR H H 1 9.222 0.010 . 1 . . . A 53 THR H . 25807 2 421 . 1 1 53 53 THR HA H 1 5.302 0.010 . 1 . . . A 53 THR HA . 25807 2 422 . 1 1 53 53 THR HB H 1 3.822 0.010 . 1 . . . A 53 THR HB . 25807 2 423 . 1 1 53 53 THR HG21 H 1 0.959 0.010 . 1 . . . A 53 THR HG21 . 25807 2 424 . 1 1 53 53 THR HG22 H 1 0.959 0.010 . 1 . . . A 53 THR HG22 . 25807 2 425 . 1 1 53 53 THR HG23 H 1 0.959 0.010 . 1 . . . A 53 THR HG23 . 25807 2 426 . 1 1 53 53 THR C C 13 172.484 0.100 . 1 . . . A 53 THR C . 25807 2 427 . 1 1 53 53 THR CA C 13 61.310 0.100 . 1 . . . A 53 THR CA . 25807 2 428 . 1 1 53 53 THR CG2 C 13 20.381 0.100 . 1 . . . A 53 THR CG2 . 25807 2 429 . 1 1 53 53 THR N N 15 117.688 0.100 . 1 . . . A 53 THR N . 25807 2 430 . 1 1 54 54 VAL H H 1 8.309 0.010 . 1 . . . A 54 VAL H . 25807 2 431 . 1 1 54 54 VAL HA H 1 4.485 0.010 . 1 . . . A 54 VAL HA . 25807 2 432 . 1 1 54 54 VAL HB H 1 -0.354 0.010 . 1 . . . A 54 VAL HB . 25807 2 433 . 1 1 54 54 VAL HG11 H 1 0.392 0.010 . 1 . . . A 54 VAL HG11 . 25807 2 434 . 1 1 54 54 VAL HG12 H 1 0.392 0.010 . 1 . . . A 54 VAL HG12 . 25807 2 435 . 1 1 54 54 VAL HG13 H 1 0.392 0.010 . 1 . . . A 54 VAL HG13 . 25807 2 436 . 1 1 54 54 VAL HG21 H 1 -0.302 0.010 . 1 . . . A 54 VAL HG21 . 25807 2 437 . 1 1 54 54 VAL HG22 H 1 -0.302 0.010 . 1 . . . A 54 VAL HG22 . 25807 2 438 . 1 1 54 54 VAL HG23 H 1 -0.302 0.010 . 1 . . . A 54 VAL HG23 . 25807 2 439 . 1 1 54 54 VAL C C 13 173.096 0.100 . 1 . . . A 54 VAL C . 25807 2 440 . 1 1 54 54 VAL CA C 13 57.823 0.100 . 1 . . . A 54 VAL CA . 25807 2 441 . 1 1 54 54 VAL CG1 C 13 20.092 0.100 . 1 . . . A 54 VAL CG1 . 25807 2 442 . 1 1 54 54 VAL CG2 C 13 20.812 0.100 . 1 . . . A 54 VAL CG2 . 25807 2 443 . 1 1 54 54 VAL N N 15 123.201 0.100 . 1 . . . A 54 VAL N . 25807 2 444 . 1 1 55 55 THR H H 1 8.394 0.010 . 1 . . . A 55 THR H . 25807 2 445 . 1 1 55 55 THR HA H 1 4.722 0.010 . 1 . . . A 55 THR HA . 25807 2 446 . 1 1 55 55 THR HB H 1 3.809 0.010 . 1 . . . A 55 THR HB . 25807 2 447 . 1 1 55 55 THR HG21 H 1 1.259 0.010 . 1 . . . A 55 THR HG21 . 25807 2 448 . 1 1 55 55 THR HG22 H 1 1.259 0.010 . 1 . . . A 55 THR HG22 . 25807 2 449 . 1 1 55 55 THR HG23 H 1 1.259 0.010 . 1 . . . A 55 THR HG23 . 25807 2 450 . 1 1 55 55 THR C C 13 174.262 0.100 . 1 . . . A 55 THR C . 25807 2 451 . 1 1 55 55 THR CA C 13 61.263 0.100 . 1 . . . A 55 THR CA . 25807 2 452 . 1 1 55 55 THR CG2 C 13 21.088 0.100 . 1 . . . A 55 THR CG2 . 25807 2 453 . 1 1 55 55 THR N N 15 124.206 0.100 . 1 . . . A 55 THR N . 25807 2 454 . 1 1 56 56 GLU H H 1 7.944 0.010 . 1 . . . A 56 GLU H . 25807 2 455 . 1 1 56 56 GLU HA H 1 4.318 0.010 . 1 . . . A 56 GLU HA . 25807 2 456 . 1 1 56 56 GLU HB2 H 1 2.183 0.010 . 1 . . . A 56 GLU HB2 . 25807 2 457 . 1 1 56 56 GLU HB3 H 1 1.975 0.010 . 1 . . . A 56 GLU HB3 . 25807 2 458 . 1 1 56 56 GLU CA C 13 58.149 0.100 . 1 . . . A 56 GLU CA . 25807 2 459 . 1 1 56 56 GLU N N 15 133.769 0.100 . 1 . . . A 56 GLU N . 25807 2 stop_ save_