################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51812 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shifts_37-57 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HNCACB' . . . 51812 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 2 $software_2 . . 51812 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA CA C 13 52.651 0.000 . 1 . . . . . 34 ALA CA . 51812 1 2 . 1 . 1 2 2 ALA CB C 13 19.508 0.000 . 1 . . . . . 34 ALA CB . 51812 1 3 . 1 . 1 3 3 MET H H 1 8.368 0.004 . 1 . . . . . 35 MET H . 51812 1 4 . 1 . 1 3 3 MET CA C 13 55.481 0.000 . 1 . . . . . 35 MET CA . 51812 1 5 . 1 . 1 3 3 MET CB C 13 33.225 0.000 . 1 . . . . . 35 MET CB . 51812 1 6 . 1 . 1 3 3 MET N N 15 119.815 0.049 . 1 . . . . . 35 MET N . 51812 1 7 . 1 . 1 4 4 ALA H H 1 8.277 0.001 . 1 . . . . . 36 ALA H . 51812 1 8 . 1 . 1 4 4 ALA CA C 13 52.572 0.000 . 1 . . . . . 36 ALA CA . 51812 1 9 . 1 . 1 4 4 ALA CB C 13 19.29 0.000 . 1 . . . . . 36 ALA CB . 51812 1 10 . 1 . 1 4 4 ALA N N 15 126.002 0.004 . 1 . . . . . 36 ALA N . 51812 1 11 . 1 . 1 5 5 ILE H H 1 8.055 0.000 . 1 . . . . . 37 ILE H . 51812 1 12 . 1 . 1 5 5 ILE CA C 13 60.979 0.000 . 1 . . . . . 37 ILE CA . 51812 1 13 . 1 . 1 5 5 ILE CB C 13 39.114 0.000 . 1 . . . . . 37 ILE CB . 51812 1 14 . 1 . 1 5 5 ILE N N 15 120.272 0.019 . 1 . . . . . 37 ILE N . 51812 1 15 . 1 . 1 6 6 SER H H 1 8.347 0.001 . 1 . . . . . 38 SER H . 51812 1 16 . 1 . 1 6 6 SER CA C 13 57.754 0.000 . 1 . . . . . 38 SER CA . 51812 1 17 . 1 . 1 6 6 SER CB C 13 63.844 0.000 . 1 . . . . . 38 SER CB . 51812 1 18 . 1 . 1 6 6 SER N N 15 119.902 0.012 . 1 . . . . . 38 SER N . 51812 1 19 . 1 . 1 7 7 LEU H H 1 8.38 0.001 . 1 . . . . . 39 LEU H . 51812 1 20 . 1 . 1 7 7 LEU CA C 13 55.43 0.000 . 1 . . . . . 39 LEU CA . 51812 1 21 . 1 . 1 7 7 LEU CB C 13 42.177 0.000 . 1 . . . . . 39 LEU CB . 51812 1 22 . 1 . 1 7 7 LEU N N 15 125.168 0.004 . 1 . . . . . 39 LEU N . 51812 1 23 . 1 . 1 8 8 GLU H H 1 8.405 0.001 . 1 . . . . . 40 GLU H . 51812 1 24 . 1 . 1 8 8 GLU CA C 13 56.687 0.000 . 1 . . . . . 40 GLU CA . 51812 1 25 . 1 . 1 8 8 GLU CB C 13 30.443 0.000 . 1 . . . . . 40 GLU CB . 51812 1 26 . 1 . 1 8 8 GLU N N 15 121.661 0.005 . 1 . . . . . 40 GLU N . 51812 1 27 . 1 . 1 9 9 ASP H H 1 8.16 0.002 . 1 . . . . . 41 ASP H . 51812 1 28 . 1 . 1 9 9 ASP CA C 13 54.403 0.000 . 1 . . . . . 41 ASP CA . 51812 1 29 . 1 . 1 9 9 ASP CB C 13 41.35 0.000 . 1 . . . . . 41 ASP CB . 51812 1 30 . 1 . 1 9 9 ASP N N 15 120.907 0.029 . 1 . . . . . 41 ASP N . 51812 1 31 . 1 . 1 10 10 SER H H 1 8.117 0.001 . 1 . . . . . 42 SER H . 51812 1 32 . 1 . 1 10 10 SER CA C 13 56.116 0.000 . 1 . . . . . 42 SER CA . 51812 1 33 . 1 . 1 10 10 SER CB C 13 63.701 0.000 . 1 . . . . . 42 SER CB . 51812 1 34 . 1 . 1 10 10 SER N N 15 116.774 0.008 . 1 . . . . . 42 SER N . 51812 1 35 . 1 . 1 11 11 PRO CA C 13 63.651 0.000 . 1 . . . . . 43 PRO CA . 51812 1 36 . 1 . 1 11 11 PRO CB C 13 32.116 0.000 . 1 . . . . . 43 PRO CB . 51812 1 37 . 1 . 1 12 12 GLU H H 1 8.427 0.003 . 1 . . . . . 44 GLU H . 51812 1 38 . 1 . 1 12 12 GLU CA C 13 56.775 0.000 . 1 . . . . . 44 GLU CA . 51812 1 39 . 1 . 1 12 12 GLU CB C 13 30.053 0.000 . 1 . . . . . 44 GLU CB . 51812 1 40 . 1 . 1 12 12 GLU N N 15 120.559 0.051 . 1 . . . . . 44 GLU N . 51812 1 41 . 1 . 1 13 13 ALA H H 1 8.207 0.001 . 1 . . . . . 45 ALA H . 51812 1 42 . 1 . 1 13 13 ALA CA C 13 52.814 0.000 . 1 . . . . . 45 ALA CA . 51812 1 43 . 1 . 1 13 13 ALA CB C 13 19.325 0.000 . 1 . . . . . 45 ALA CB . 51812 1 44 . 1 . 1 13 13 ALA N N 15 125.18 0.003 . 1 . . . . . 45 ALA N . 51812 1 45 . 1 . 1 14 14 GLY H H 1 8.361 0.000 . 1 . . . . . 46 GLY H . 51812 1 46 . 1 . 1 14 14 GLY CA C 13 45.341 0.000 . 1 . . . . . 46 GLY CA . 51812 1 47 . 1 . 1 14 14 GLY N N 15 108.365 0.000 . 1 . . . . . 46 GLY N . 51812 1 48 . 1 . 1 15 15 GLY H H 1 8.236 0.000 . 1 . . . . . 47 GLY H . 51812 1 49 . 1 . 1 15 15 GLY CA C 13 45.214 0.000 . 1 . . . . . 47 GLY CA . 51812 1 50 . 1 . 1 15 15 GLY N N 15 108.838 0.000 . 1 . . . . . 47 GLY N . 51812 1 51 . 1 . 1 16 16 GLU H H 1 8.449 0.001 . 1 . . . . . 48 GLU H . 51812 1 52 . 1 . 1 16 16 GLU CA C 13 57.423 0.000 . 1 . . . . . 48 GLU CA . 51812 1 53 . 1 . 1 16 16 GLU CB C 13 30.166 0.000 . 1 . . . . . 48 GLU CB . 51812 1 54 . 1 . 1 16 16 GLU N N 15 120.873 0.000 . 1 . . . . . 48 GLU N . 51812 1 55 . 1 . 1 19 19 GLU H H 1 8.284 0.002 . 1 . . . . . 51 GLU H . 51812 1 56 . 1 . 1 19 19 GLU CA C 13 56.6 0.000 . 1 . . . . . 51 GLU CA . 51812 1 57 . 1 . 1 19 19 GLU CB C 13 30.283 0.000 . 1 . . . . . 51 GLU CB . 51812 1 58 . 1 . 1 19 19 GLU N N 15 120.58 0.006 . 1 . . . . . 51 GLU N . 51812 1 59 . 1 . 1 20 20 GLU H H 1 8.155 0.001 . 1 . . . . . 52 GLU H . 51812 1 60 . 1 . 1 20 20 GLU CA C 13 58.709 0.000 . 1 . . . . . 52 GLU CA . 51812 1 61 . 1 . 1 20 20 GLU CB C 13 29.449 0.000 . 1 . . . . . 52 GLU CB . 51812 1 62 . 1 . 1 20 20 GLU N N 15 120.387 0.000 . 1 . . . . . 52 GLU N . 51812 1 63 . 1 . 1 21 21 GLN H H 1 8.253 0.003 . 1 . . . . . 53 GLN H . 51812 1 64 . 1 . 1 21 21 GLN HE21 H 1 7.595 0.000 . 1 . . . . . 53 GLN HE21 . 51812 1 65 . 1 . 1 21 21 GLN HE22 H 1 6.814 0.000 . 1 . . . . . 53 GLN HE22 . 51812 1 66 . 1 . 1 21 21 GLN CA C 13 58.093 0.000 . 1 . . . . . 53 GLN CA . 51812 1 67 . 1 . 1 21 21 GLN CB C 13 29.18 0.000 . 1 . . . . . 53 GLN CB . 51812 1 68 . 1 . 1 21 21 GLN N N 15 119.899 0.017 . 1 . . . . . 53 GLN N . 51812 1 69 . 1 . 1 21 21 GLN NE2 N 15 112.368 0.000 . 1 . . . . . 53 GLN NE2 . 51812 1 70 . 1 . 1 22 22 GLU H H 1 8.113 0.004 . 1 . . . . . 54 GLU H . 51812 1 71 . 1 . 1 22 22 GLU CA C 13 59.242 0.000 . 1 . . . . . 54 GLU CA . 51812 1 72 . 1 . 1 22 22 GLU CB C 13 29.408 0.000 . 1 . . . . . 54 GLU CB . 51812 1 73 . 1 . 1 22 22 GLU N N 15 121.474 0.018 . 1 . . . . . 54 GLU N . 51812 1 74 . 1 . 1 24 24 GLU H H 1 7.928 0.002 . 1 . . . . . 56 GLU H . 51812 1 75 . 1 . 1 24 24 GLU CA C 13 58.793 0.000 . 1 . . . . . 56 GLU CA . 51812 1 76 . 1 . 1 24 24 GLU CB C 13 30.081 0.000 . 1 . . . . . 56 GLU CB . 51812 1 77 . 1 . 1 24 24 GLU N N 15 119.647 0.008 . 1 . . . . . 56 GLU N . 51812 1 78 . 1 . 1 25 25 GLU H H 1 8.154 0.001 . 1 . . . . . 57 GLU H . 51812 1 79 . 1 . 1 25 25 GLU CA C 13 58.592 0.000 . 1 . . . . . 57 GLU CA . 51812 1 80 . 1 . 1 25 25 GLU CB C 13 29.56 0.000 . 1 . . . . . 57 GLU CB . 51812 1 81 . 1 . 1 25 25 GLU N N 15 120.517 0.105 . 1 . . . . . 57 GLU N . 51812 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51812 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name shifts_58-144 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 51812 2 2 '3D HNCACB' . . . 51812 2 3 '3D CBCA(CO)NH' . . . 51812 2 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 2 $software_2 . . 51812 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 26 26 GLU H H 1 8.226 0.001 . 1 . . . . . 58 GLU H . 51812 2 2 . 1 . 1 26 26 GLU CA C 13 58.443 0.000 . 1 . . . . . 58 GLU CA . 51812 2 3 . 1 . 1 26 26 GLU CB C 13 28.977 0.000 . 1 . . . . . 58 GLU CB . 51812 2 4 . 1 . 1 26 26 GLU N N 15 121.359 0.000 . 1 . . . . . 58 GLU N . 51812 2 5 . 1 . 1 27 27 GLN H H 1 7.711 0.000 . 1 . . . . . 59 GLN H . 51812 2 6 . 1 . 1 27 27 GLN HE21 H 1 7.393 0.000 . 1 . . . . . 59 GLN HE21 . 51812 2 7 . 1 . 1 27 27 GLN HE22 H 1 6.746 0.000 . 1 . . . . . 59 GLN HE22 . 51812 2 8 . 1 . 1 27 27 GLN CA C 13 58.651 0.160 . 1 . . . . . 59 GLN CA . 51812 2 9 . 1 . 1 27 27 GLN CB C 13 28.222 0.066 . 1 . . . . . 59 GLN CB . 51812 2 10 . 1 . 1 27 27 GLN CG C 13 33.871 0.000 . 1 . . . . . 59 GLN CG . 51812 2 11 . 1 . 1 27 27 GLN N N 15 115.78 0.003 . 1 . . . . . 59 GLN N . 51812 2 12 . 1 . 1 27 27 GLN NE2 N 15 111.54 0.009 . 1 . . . . . 59 GLN NE2 . 51812 2 13 . 1 . 1 28 28 ALA H H 1 7.814 0.000 . 1 . . . . . 60 ALA H . 51812 2 14 . 1 . 1 28 28 ALA CA C 13 55.073 0.000 . 1 . . . . . 60 ALA CA . 51812 2 15 . 1 . 1 28 28 ALA CB C 13 18.227 0.000 . 1 . . . . . 60 ALA CB . 51812 2 16 . 1 . 1 28 28 ALA N N 15 120.327 0.014 . 1 . . . . . 60 ALA N . 51812 2 17 . 1 . 1 29 29 PHE H H 1 7.995 0.003 . 1 . . . . . 61 PHE H . 51812 2 18 . 1 . 1 29 29 PHE CA C 13 61.554 0.000 . 1 . . . . . 61 PHE CA . 51812 2 19 . 1 . 1 29 29 PHE CB C 13 40.012 0.000 . 1 . . . . . 61 PHE CB . 51812 2 20 . 1 . 1 29 29 PHE N N 15 120.582 0.000 . 1 . . . . . 61 PHE N . 51812 2 21 . 1 . 1 30 30 LEU H H 1 8.364 0.003 . 1 . . . . . 62 LEU H . 51812 2 22 . 1 . 1 30 30 LEU CA C 13 58.324 0.000 . 1 . . . . . 62 LEU CA . 51812 2 23 . 1 . 1 30 30 LEU CB C 13 41.707 0.000 . 1 . . . . . 62 LEU CB . 51812 2 24 . 1 . 1 30 30 LEU N N 15 118.757 0.017 . 1 . . . . . 62 LEU N . 51812 2 25 . 1 . 1 31 31 VAL H H 1 8.167 0.000 . 1 . . . . . 63 VAL H . 51812 2 26 . 1 . 1 31 31 VAL CA C 13 66.81 0.000 . 1 . . . . . 63 VAL CA . 51812 2 27 . 1 . 1 31 31 VAL CB C 13 31.752 0.000 . 1 . . . . . 63 VAL CB . 51812 2 28 . 1 . 1 31 31 VAL N N 15 118.026 0.005 . 1 . . . . . 63 VAL N . 51812 2 29 . 1 . 1 32 32 SER H H 1 7.642 0.003 . 1 . . . . . 64 SER H . 51812 2 30 . 1 . 1 32 32 SER CA C 13 62.413 0.000 . 1 . . . . . 64 SER CA . 51812 2 31 . 1 . 1 32 32 SER CB C 13 63.235 0.000 . 1 . . . . . 64 SER CB . 51812 2 32 . 1 . 1 32 32 SER N N 15 116.392 0.065 . 1 . . . . . 64 SER N . 51812 2 33 . 1 . 1 33 33 LEU H H 1 8.681 0.000 . 1 . . . . . 65 LEU H . 51812 2 34 . 1 . 1 33 33 LEU CA C 13 58.851 0.000 . 1 . . . . . 65 LEU CA . 51812 2 35 . 1 . 1 33 33 LEU CB C 13 41.522 0.000 . 1 . . . . . 65 LEU CB . 51812 2 36 . 1 . 1 33 33 LEU N N 15 126.204 0.021 . 1 . . . . . 65 LEU N . 51812 2 37 . 1 . 1 34 34 TYR H H 1 8.566 0.001 . 1 . . . . . 66 TYR H . 51812 2 38 . 1 . 1 34 34 TYR CA C 13 62.158 0.000 . 1 . . . . . 66 TYR CA . 51812 2 39 . 1 . 1 34 34 TYR CB C 13 37.151 0.000 . 1 . . . . . 66 TYR CB . 51812 2 40 . 1 . 1 34 34 TYR N N 15 117.818 0.003 . 1 . . . . . 66 TYR N . 51812 2 41 . 1 . 1 35 35 LYS H H 1 7.798 0.000 . 1 . . . . . 67 LYS H . 51812 2 42 . 1 . 1 35 35 LYS CA C 13 60.118 0.000 . 1 . . . . . 67 LYS CA . 51812 2 43 . 1 . 1 35 35 LYS CB C 13 33.05 0.000 . 1 . . . . . 67 LYS CB . 51812 2 44 . 1 . 1 35 35 LYS N N 15 120.726 0.001 . 1 . . . . . 67 LYS N . 51812 2 45 . 1 . 1 36 36 PHE H H 1 8.08 0.000 . 1 . . . . . 68 PHE H . 51812 2 46 . 1 . 1 36 36 PHE CA C 13 61.051 0.000 . 1 . . . . . 68 PHE CA . 51812 2 47 . 1 . 1 36 36 PHE CB C 13 39.642 0.000 . 1 . . . . . 68 PHE CB . 51812 2 48 . 1 . 1 36 36 PHE N N 15 120.295 0.007 . 1 . . . . . 68 PHE N . 51812 2 49 . 1 . 1 37 37 MET H H 1 8.199 0.000 . 1 . . . . . 69 MET H . 51812 2 50 . 1 . 1 37 37 MET CA C 13 57.035 0.000 . 1 . . . . . 69 MET CA . 51812 2 51 . 1 . 1 37 37 MET CB C 13 31.431 0.000 . 1 . . . . . 69 MET CB . 51812 2 52 . 1 . 1 37 37 MET N N 15 116.565 0.018 . 1 . . . . . 69 MET N . 51812 2 53 . 1 . 1 38 38 LYS H H 1 7.97 0.001 . 1 . . . . . 70 LYS H . 51812 2 54 . 1 . 1 38 38 LYS CA C 13 60.277 0.000 . 1 . . . . . 70 LYS CA . 51812 2 55 . 1 . 1 38 38 LYS CB C 13 32.192 0.000 . 1 . . . . . 70 LYS CB . 51812 2 56 . 1 . 1 38 38 LYS N N 15 120.814 0.008 . 1 . . . . . 70 LYS N . 51812 2 57 . 1 . 1 39 39 GLU H H 1 8.224 0.001 . 1 . . . . . 71 GLU H . 51812 2 58 . 1 . 1 39 39 GLU CA C 13 58.92 0.000 . 1 . . . . . 71 GLU CA . 51812 2 59 . 1 . 1 39 39 GLU CB C 13 28.87 0.000 . 1 . . . . . 71 GLU CB . 51812 2 60 . 1 . 1 39 39 GLU N N 15 121.108 0.033 . 1 . . . . . 71 GLU N . 51812 2 61 . 1 . 1 40 40 ARG H H 1 7.102 0.000 . 1 . . . . . 72 ARG H . 51812 2 62 . 1 . 1 40 40 ARG CA C 13 55.179 0.000 . 1 . . . . . 72 ARG CA . 51812 2 63 . 1 . 1 40 40 ARG CB C 13 30.231 0.000 . 1 . . . . . 72 ARG CB . 51812 2 64 . 1 . 1 40 40 ARG N N 15 117.13 0.002 . 1 . . . . . 72 ARG N . 51812 2 65 . 1 . 1 41 41 HIS H H 1 7.618 0.000 . 1 . . . . . 73 HIS H . 51812 2 66 . 1 . 1 41 41 HIS CA C 13 56.511 0.000 . 1 . . . . . 73 HIS CA . 51812 2 67 . 1 . 1 41 41 HIS CB C 13 25.941 0.000 . 1 . . . . . 73 HIS CB . 51812 2 68 . 1 . 1 41 41 HIS N N 15 110.995 0.001 . 1 . . . . . 73 HIS N . 51812 2 69 . 1 . 1 42 42 THR H H 1 8.153 0.000 . 1 . . . . . 74 THR H . 51812 2 70 . 1 . 1 42 42 THR CA C 13 57.505 0.000 . 1 . . . . . 74 THR CA . 51812 2 71 . 1 . 1 42 42 THR CB C 13 70.03 0.000 . 1 . . . . . 74 THR CB . 51812 2 72 . 1 . 1 42 42 THR N N 15 108.782 0.006 . 1 . . . . . 74 THR N . 51812 2 73 . 1 . 1 43 43 PRO CA C 13 62.418 0.000 . 1 . . . . . 75 PRO CA . 51812 2 74 . 1 . 1 43 43 PRO CB C 13 32.49 0.000 . 1 . . . . . 75 PRO CB . 51812 2 75 . 1 . 1 44 44 ILE H H 1 8.39 0.005 . 1 . . . . . 76 ILE H . 51812 2 76 . 1 . 1 44 44 ILE CA C 13 62.107 0.000 . 1 . . . . . 76 ILE CA . 51812 2 77 . 1 . 1 44 44 ILE CB C 13 36.716 0.000 . 1 . . . . . 76 ILE CB . 51812 2 78 . 1 . 1 44 44 ILE N N 15 121.11 0.008 . 1 . . . . . 76 ILE N . 51812 2 79 . 1 . 1 45 45 GLU H H 1 8.445 0.001 . 1 . . . . . 77 GLU H . 51812 2 80 . 1 . 1 45 45 GLU CA C 13 57.019 0.000 . 1 . . . . . 77 GLU CA . 51812 2 81 . 1 . 1 45 45 GLU CB C 13 30.84 0.000 . 1 . . . . . 77 GLU CB . 51812 2 82 . 1 . 1 45 45 GLU N N 15 128.232 0.008 . 1 . . . . . 77 GLU N . 51812 2 83 . 1 . 1 46 46 ARG H H 1 7.759 0.000 . 1 . . . . . 78 ARG H . 51812 2 84 . 1 . 1 46 46 ARG CA C 13 55.333 0.000 . 1 . . . . . 78 ARG CA . 51812 2 85 . 1 . 1 46 46 ARG CB C 13 31.281 0.000 . 1 . . . . . 78 ARG CB . 51812 2 86 . 1 . 1 46 46 ARG N N 15 117.952 0.003 . 1 . . . . . 78 ARG N . 51812 2 87 . 1 . 1 47 47 VAL H H 1 8.607 0.001 . 1 . . . . . 79 VAL H . 51812 2 88 . 1 . 1 47 47 VAL CA C 13 60.438 0.000 . 1 . . . . . 79 VAL CA . 51812 2 89 . 1 . 1 47 47 VAL CB C 13 32.547 0.000 . 1 . . . . . 79 VAL CB . 51812 2 90 . 1 . 1 47 47 VAL N N 15 125.554 0.003 . 1 . . . . . 79 VAL N . 51812 2 91 . 1 . 1 48 48 PRO CA C 13 62.742 0.000 . 1 . . . . . 80 PRO CA . 51812 2 92 . 1 . 1 48 48 PRO CB C 13 32.684 0.000 . 1 . . . . . 80 PRO CB . 51812 2 93 . 1 . 1 49 49 HIS H H 1 8.379 0.004 . 1 . . . . . 81 HIS H . 51812 2 94 . 1 . 1 49 49 HIS CA C 13 55.85 0.000 . 1 . . . . . 81 HIS CA . 51812 2 95 . 1 . 1 49 49 HIS CB C 13 32.316 0.000 . 1 . . . . . 81 HIS CB . 51812 2 96 . 1 . 1 49 49 HIS N N 15 117.415 0.037 . 1 . . . . . 81 HIS N . 51812 2 97 . 1 . 1 50 50 LEU H H 1 8.437 0.000 . 1 . . . . . 82 LEU H . 51812 2 98 . 1 . 1 50 50 LEU CA C 13 54.495 0.000 . 1 . . . . . 82 LEU CA . 51812 2 99 . 1 . 1 50 50 LEU CB C 13 43.523 0.000 . 1 . . . . . 82 LEU CB . 51812 2 100 . 1 . 1 50 50 LEU N N 15 122.881 0.017 . 1 . . . . . 82 LEU N . 51812 2 101 . 1 . 1 51 51 GLY H H 1 9 0.000 . 1 . . . . . 83 GLY H . 51812 2 102 . 1 . 1 51 51 GLY CA C 13 46.951 0.000 . 1 . . . . . 83 GLY CA . 51812 2 103 . 1 . 1 51 51 GLY N N 15 115.45 0.000 . 1 . . . . . 83 GLY N . 51812 2 104 . 1 . 1 52 52 PHE H H 1 8.581 0.000 . 1 . . . . . 84 PHE H . 51812 2 105 . 1 . 1 52 52 PHE CA C 13 58.648 0.000 . 1 . . . . . 84 PHE CA . 51812 2 106 . 1 . 1 52 52 PHE CB C 13 38.267 0.000 . 1 . . . . . 84 PHE CB . 51812 2 107 . 1 . 1 52 52 PHE N N 15 118.824 0.000 . 1 . . . . . 84 PHE N . 51812 2 108 . 1 . 1 53 53 LYS H H 1 7.548 0.007 . 1 . . . . . 85 LYS H . 51812 2 109 . 1 . 1 53 53 LYS CA C 13 54.95 0.000 . 1 . . . . . 85 LYS CA . 51812 2 110 . 1 . 1 53 53 LYS CB C 13 35.092 0.000 . 1 . . . . . 85 LYS CB . 51812 2 111 . 1 . 1 53 53 LYS N N 15 118.711 0.003 . 1 . . . . . 85 LYS N . 51812 2 112 . 1 . 1 54 54 GLN H H 1 8.548 0.000 . 1 . . . . . 86 GLN H . 51812 2 113 . 1 . 1 54 54 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 86 GLN HE21 . 51812 2 114 . 1 . 1 54 54 GLN HE22 H 1 6.906 0.000 . 1 . . . . . 86 GLN HE22 . 51812 2 115 . 1 . 1 54 54 GLN CA C 13 56.966 0.000 . 1 . . . . . 86 GLN CA . 51812 2 116 . 1 . 1 54 54 GLN CB C 13 29.427 0.000 . 1 . . . . . 86 GLN CB . 51812 2 117 . 1 . 1 54 54 GLN CG C 13 34.527 0.000 . 1 . . . . . 86 GLN CG . 51812 2 118 . 1 . 1 54 54 GLN N N 15 123.483 0.002 . 1 . . . . . 86 GLN N . 51812 2 119 . 1 . 1 54 54 GLN NE2 N 15 112.769 0.000 . 1 . . . . . 86 GLN NE2 . 51812 2 120 . 1 . 1 55 55 ILE H H 1 8.218 0.002 . 1 . . . . . 87 ILE H . 51812 2 121 . 1 . 1 55 55 ILE CA C 13 62.721 0.000 . 1 . . . . . 87 ILE CA . 51812 2 122 . 1 . 1 55 55 ILE CB C 13 39.154 0.000 . 1 . . . . . 87 ILE CB . 51812 2 123 . 1 . 1 55 55 ILE N N 15 124.887 0.002 . 1 . . . . . 87 ILE N . 51812 2 124 . 1 . 1 56 56 ASN H H 1 8.086 0.000 . 1 . . . . . 88 ASN H . 51812 2 125 . 1 . 1 56 56 ASN CA C 13 52.263 0.000 . 1 . . . . . 88 ASN CA . 51812 2 126 . 1 . 1 56 56 ASN CB C 13 38.977 0.000 . 1 . . . . . 88 ASN CB . 51812 2 127 . 1 . 1 56 56 ASN N N 15 125.17 0.002 . 1 . . . . . 88 ASN N . 51812 2 128 . 1 . 1 57 57 LEU H H 1 8.982 0.000 . 1 . . . . . 89 LEU H . 51812 2 129 . 1 . 1 57 57 LEU CA C 13 57.951 0.000 . 1 . . . . . 89 LEU CA . 51812 2 130 . 1 . 1 57 57 LEU CB C 13 41.443 0.000 . 1 . . . . . 89 LEU CB . 51812 2 131 . 1 . 1 57 57 LEU N N 15 125.858 0.002 . 1 . . . . . 89 LEU N . 51812 2 132 . 1 . 1 58 58 TRP HE1 H 1 10.364 0.000 . 1 . . . . . 90 TRP HE1 . 51812 2 133 . 1 . 1 58 58 TRP CA C 13 59.291 0.000 . 1 . . . . . 90 TRP CA . 51812 2 134 . 1 . 1 58 58 TRP CB C 13 29.454 0.000 . 1 . . . . . 90 TRP CB . 51812 2 135 . 1 . 1 58 58 TRP NE1 N 15 129.364 0.000 . 1 . . . . . 90 TRP NE1 . 51812 2 136 . 1 . 1 59 59 LYS H H 1 8.056 0.005 . 1 . . . . . 91 LYS H . 51812 2 137 . 1 . 1 59 59 LYS CA C 13 59.104 0.000 . 1 . . . . . 91 LYS CA . 51812 2 138 . 1 . 1 59 59 LYS CB C 13 30.894 0.000 . 1 . . . . . 91 LYS CB . 51812 2 139 . 1 . 1 59 59 LYS N N 15 117.807 0.009 . 1 . . . . . 91 LYS N . 51812 2 140 . 1 . 1 60 60 ILE H H 1 8.435 0.001 . 1 . . . . . 92 ILE H . 51812 2 141 . 1 . 1 60 60 ILE CA C 13 66.121 0.000 . 1 . . . . . 92 ILE CA . 51812 2 142 . 1 . 1 60 60 ILE CB C 13 37.157 0.051 . 1 . . . . . 92 ILE CB . 51812 2 143 . 1 . 1 60 60 ILE N N 15 118.808 0.015 . 1 . . . . . 92 ILE N . 51812 2 144 . 1 . 1 61 61 TYR H H 1 7.618 0.002 . 1 . . . . . 93 TYR H . 51812 2 145 . 1 . 1 61 61 TYR CA C 13 60.814 0.089 . 1 . . . . . 93 TYR CA . 51812 2 146 . 1 . 1 61 61 TYR CB C 13 38.294 0.000 . 1 . . . . . 93 TYR CB . 51812 2 147 . 1 . 1 61 61 TYR N N 15 123.979 0.038 . 1 . . . . . 93 TYR N . 51812 2 148 . 1 . 1 62 62 LYS H H 1 8.044 0.001 . 1 . . . . . 94 LYS H . 51812 2 149 . 1 . 1 62 62 LYS CA C 13 58 0.056 . 1 . . . . . 94 LYS CA . 51812 2 150 . 1 . 1 62 62 LYS CB C 13 30.951 0.136 . 1 . . . . . 94 LYS CB . 51812 2 151 . 1 . 1 62 62 LYS N N 15 118.82 0.023 . 1 . . . . . 94 LYS N . 51812 2 152 . 1 . 1 63 63 ALA H H 1 8.238 0.005 . 1 . . . . . 95 ALA H . 51812 2 153 . 1 . 1 63 63 ALA CA C 13 54.87 0.000 . 1 . . . . . 95 ALA CA . 51812 2 154 . 1 . 1 63 63 ALA CB C 13 18.775 0.000 . 1 . . . . . 95 ALA CB . 51812 2 155 . 1 . 1 63 63 ALA N N 15 121.438 0.030 . 1 . . . . . 95 ALA N . 51812 2 156 . 1 . 1 64 64 VAL H H 1 7.502 0.001 . 1 . . . . . 96 VAL H . 51812 2 157 . 1 . 1 64 64 VAL CA C 13 66.243 0.000 . 1 . . . . . 96 VAL CA . 51812 2 158 . 1 . 1 64 64 VAL CB C 13 30.945 0.000 . 1 . . . . . 96 VAL CB . 51812 2 159 . 1 . 1 64 64 VAL N N 15 115.652 0.009 . 1 . . . . . 96 VAL N . 51812 2 160 . 1 . 1 65 65 GLU H H 1 7.377 0.001 . 1 . . . . . 97 GLU H . 51812 2 161 . 1 . 1 65 65 GLU CA C 13 59.417 0.000 . 1 . . . . . 97 GLU CA . 51812 2 162 . 1 . 1 65 65 GLU CB C 13 28.893 0.000 . 1 . . . . . 97 GLU CB . 51812 2 163 . 1 . 1 65 65 GLU N N 15 117.901 0.011 . 1 . . . . . 97 GLU N . 51812 2 164 . 1 . 1 66 66 LYS H H 1 8.013 0.000 . 1 . . . . . 98 LYS H . 51812 2 165 . 1 . 1 66 66 LYS CA C 13 59.116 0.000 . 1 . . . . . 98 LYS CA . 51812 2 166 . 1 . 1 66 66 LYS CB C 13 32.015 0.000 . 1 . . . . . 98 LYS CB . 51812 2 167 . 1 . 1 66 66 LYS N N 15 120.508 0.006 . 1 . . . . . 98 LYS N . 51812 2 168 . 1 . 1 67 67 LEU H H 1 6.785 0.001 . 1 . . . . . 99 LEU H . 51812 2 169 . 1 . 1 67 67 LEU CA C 13 54.729 0.000 . 1 . . . . . 99 LEU CA . 51812 2 170 . 1 . 1 67 67 LEU CB C 13 42.703 0.000 . 1 . . . . . 99 LEU CB . 51812 2 171 . 1 . 1 67 67 LEU N N 15 117.009 0.008 . 1 . . . . . 99 LEU N . 51812 2 172 . 1 . 1 68 68 GLY H H 1 7.148 0.000 . 1 . . . . . 100 GLY H . 51812 2 173 . 1 . 1 68 68 GLY CA C 13 45.393 0.000 . 1 . . . . . 100 GLY CA . 51812 2 174 . 1 . 1 68 68 GLY N N 15 104.036 0.000 . 1 . . . . . 100 GLY N . 51812 2 175 . 1 . 1 69 69 ALA H H 1 8.191 0.000 . 1 . . . . . 101 ALA H . 51812 2 176 . 1 . 1 69 69 ALA CA C 13 53.931 0.000 . 1 . . . . . 101 ALA CA . 51812 2 177 . 1 . 1 69 69 ALA CB C 13 18.505 0.000 . 1 . . . . . 101 ALA CB . 51812 2 178 . 1 . 1 69 69 ALA N N 15 117.095 0.007 . 1 . . . . . 101 ALA N . 51812 2 179 . 1 . 1 70 70 TYR H H 1 8.352 0.001 . 1 . . . . . 102 TYR H . 51812 2 180 . 1 . 1 70 70 TYR CA C 13 63.314 0.000 . 1 . . . . . 102 TYR CA . 51812 2 181 . 1 . 1 70 70 TYR CB C 13 40.003 0.000 . 1 . . . . . 102 TYR CB . 51812 2 182 . 1 . 1 70 70 TYR N N 15 116.84 0.003 . 1 . . . . . 102 TYR N . 51812 2 183 . 1 . 1 71 71 GLU H H 1 9.176 0.000 . 1 . . . . . 103 GLU H . 51812 2 184 . 1 . 1 71 71 GLU CA C 13 60.944 0.000 . 1 . . . . . 103 GLU CA . 51812 2 185 . 1 . 1 71 71 GLU CB C 13 28.692 0.000 . 1 . . . . . 103 GLU CB . 51812 2 186 . 1 . 1 71 71 GLU N N 15 120.441 0.007 . 1 . . . . . 103 GLU N . 51812 2 187 . 1 . 1 72 72 LEU H H 1 8.056 0.000 . 1 . . . . . 104 LEU H . 51812 2 188 . 1 . 1 72 72 LEU CA C 13 57.954 0.000 . 1 . . . . . 104 LEU CA . 51812 2 189 . 1 . 1 72 72 LEU CB C 13 41.756 0.000 . 1 . . . . . 104 LEU CB . 51812 2 190 . 1 . 1 72 72 LEU N N 15 123.671 0.001 . 1 . . . . . 104 LEU N . 51812 2 191 . 1 . 1 73 73 VAL H H 1 8.066 0.002 . 1 . . . . . 105 VAL H . 51812 2 192 . 1 . 1 73 73 VAL CA C 13 66.501 0.000 . 1 . . . . . 105 VAL CA . 51812 2 193 . 1 . 1 73 73 VAL CB C 13 31.176 0.000 . 1 . . . . . 105 VAL CB . 51812 2 194 . 1 . 1 73 73 VAL N N 15 119.678 0.004 . 1 . . . . . 105 VAL N . 51812 2 195 . 1 . 1 74 74 THR H H 1 7.862 0.000 . 1 . . . . . 106 THR H . 51812 2 196 . 1 . 1 74 74 THR CA C 13 66.52 0.000 . 1 . . . . . 106 THR CA . 51812 2 197 . 1 . 1 74 74 THR CB C 13 68.614 0.000 . 1 . . . . . 106 THR CB . 51812 2 198 . 1 . 1 74 74 THR N N 15 114.464 0.034 . 1 . . . . . 106 THR N . 51812 2 199 . 1 . 1 75 75 GLY H H 1 8.596 0.000 . 1 . . . . . 107 GLY H . 51812 2 200 . 1 . 1 75 75 GLY CA C 13 47.316 0.000 . 1 . . . . . 107 GLY CA . 51812 2 201 . 1 . 1 75 75 GLY N N 15 111.812 0.000 . 1 . . . . . 107 GLY N . 51812 2 202 . 1 . 1 76 76 ARG H H 1 8.401 0.001 . 1 . . . . . 108 ARG H . 51812 2 203 . 1 . 1 76 76 ARG CA C 13 55.942 0.000 . 1 . . . . . 108 ARG CA . 51812 2 204 . 1 . 1 76 76 ARG CB C 13 29.538 0.000 . 1 . . . . . 108 ARG CB . 51812 2 205 . 1 . 1 76 76 ARG N N 15 117.005 0.015 . 1 . . . . . 108 ARG N . 51812 2 206 . 1 . 1 77 77 ARG H H 1 7.454 0.000 . 1 . . . . . 109 ARG H . 51812 2 207 . 1 . 1 77 77 ARG CA C 13 57.455 0.000 . 1 . . . . . 109 ARG CA . 51812 2 208 . 1 . 1 77 77 ARG CB C 13 26.036 0.000 . 1 . . . . . 109 ARG CB . 51812 2 209 . 1 . 1 77 77 ARG N N 15 115.44 0.000 . 1 . . . . . 109 ARG N . 51812 2 210 . 1 . 1 78 78 LEU H H 1 8.718 0.000 . 1 . . . . . 110 LEU H . 51812 2 211 . 1 . 1 78 78 LEU CA C 13 53.638 0.000 . 1 . . . . . 110 LEU CA . 51812 2 212 . 1 . 1 78 78 LEU CB C 13 42.433 0.000 . 1 . . . . . 110 LEU CB . 51812 2 213 . 1 . 1 78 78 LEU N N 15 117.592 0.002 . 1 . . . . . 110 LEU N . 51812 2 214 . 1 . 1 79 79 TRP H H 1 7.709 0.000 . 1 . . . . . 111 TRP H . 51812 2 215 . 1 . 1 79 79 TRP HE1 H 1 9.808 0.000 . 1 . . . . . 111 TRP HE1 . 51812 2 216 . 1 . 1 79 79 TRP CA C 13 61.806 0.000 . 1 . . . . . 111 TRP CA . 51812 2 217 . 1 . 1 79 79 TRP CB C 13 28.565 0.000 . 1 . . . . . 111 TRP CB . 51812 2 218 . 1 . 1 79 79 TRP N N 15 120.486 0.007 . 1 . . . . . 111 TRP N . 51812 2 219 . 1 . 1 79 79 TRP NE1 N 15 128.315 0.000 . 1 . . . . . 111 TRP NE1 . 51812 2 220 . 1 . 1 80 80 LYS H H 1 8.975 0.000 . 1 . . . . . 112 LYS H . 51812 2 221 . 1 . 1 80 80 LYS CA C 13 59.176 0.000 . 1 . . . . . 112 LYS CA . 51812 2 222 . 1 . 1 80 80 LYS CB C 13 31.804 0.000 . 1 . . . . . 112 LYS CB . 51812 2 223 . 1 . 1 80 80 LYS N N 15 120.282 0.005 . 1 . . . . . 112 LYS N . 51812 2 224 . 1 . 1 81 81 ASN H H 1 7.605 0.000 . 1 . . . . . 113 ASN H . 51812 2 225 . 1 . 1 81 81 ASN HD21 H 1 7.541 0.000 . 1 . . . . . 113 ASN HD21 . 51812 2 226 . 1 . 1 81 81 ASN HD22 H 1 6.849 0.000 . 1 . . . . . 113 ASN HD22 . 51812 2 227 . 1 . 1 81 81 ASN CA C 13 56.715 0.000 . 1 . . . . . 113 ASN CA . 51812 2 228 . 1 . 1 81 81 ASN CB C 13 36.84 0.000 . 1 . . . . . 113 ASN CB . 51812 2 229 . 1 . 1 81 81 ASN N N 15 117.268 0.002 . 1 . . . . . 113 ASN N . 51812 2 230 . 1 . 1 81 81 ASN ND2 N 15 111.714 0.000 . 1 . . . . . 113 ASN ND2 . 51812 2 231 . 1 . 1 82 82 VAL H H 1 7.43 0.000 . 1 . . . . . 114 VAL H . 51812 2 232 . 1 . 1 82 82 VAL CA C 13 66.772 0.000 . 1 . . . . . 114 VAL CA . 51812 2 233 . 1 . 1 82 82 VAL CB C 13 31.472 0.000 . 1 . . . . . 114 VAL CB . 51812 2 234 . 1 . 1 82 82 VAL N N 15 119.826 0.006 . 1 . . . . . 114 VAL N . 51812 2 235 . 1 . 1 83 83 TYR H H 1 7.939 0.001 . 1 . . . . . 115 TYR H . 51812 2 236 . 1 . 1 83 83 TYR CA C 13 62.481 0.000 . 1 . . . . . 115 TYR CA . 51812 2 237 . 1 . 1 83 83 TYR CB C 13 37.165 0.000 . 1 . . . . . 115 TYR CB . 51812 2 238 . 1 . 1 83 83 TYR N N 15 119.915 0.003 . 1 . . . . . 115 TYR N . 51812 2 239 . 1 . 1 84 84 ASP H H 1 8.657 0.000 . 1 . . . . . 116 ASP H . 51812 2 240 . 1 . 1 84 84 ASP CA C 13 57.366 0.000 . 1 . . . . . 116 ASP CA . 51812 2 241 . 1 . 1 84 84 ASP CB C 13 39.947 0.000 . 1 . . . . . 116 ASP CB . 51812 2 242 . 1 . 1 84 84 ASP N N 15 119.888 0.004 . 1 . . . . . 116 ASP N . 51812 2 243 . 1 . 1 85 85 GLU H H 1 7.968 0.000 . 1 . . . . . 117 GLU H . 51812 2 244 . 1 . 1 85 85 GLU CA C 13 58.694 0.000 . 1 . . . . . 117 GLU CA . 51812 2 245 . 1 . 1 85 85 GLU CB C 13 29.095 0.000 . 1 . . . . . 117 GLU CB . 51812 2 246 . 1 . 1 85 85 GLU N N 15 122.156 0.008 . 1 . . . . . 117 GLU N . 51812 2 247 . 1 . 1 86 86 LEU H H 1 7.608 0.006 . 1 . . . . . 118 LEU H . 51812 2 248 . 1 . 1 86 86 LEU CA C 13 55.44 0.033 . 1 . . . . . 118 LEU CA . 51812 2 249 . 1 . 1 86 86 LEU CB C 13 41.303 0.003 . 1 . . . . . 118 LEU CB . 51812 2 250 . 1 . 1 86 86 LEU N N 15 117.488 0.240 . 1 . . . . . 118 LEU N . 51812 2 251 . 1 . 1 87 87 GLY H H 1 7.702 0.008 . 1 . . . . . 119 GLY H . 51812 2 252 . 1 . 1 87 87 GLY CA C 13 45.703 0.000 . 1 . . . . . 119 GLY CA . 51812 2 253 . 1 . 1 87 87 GLY N N 15 106.193 0.002 . 1 . . . . . 119 GLY N . 51812 2 254 . 1 . 1 88 88 GLY H H 1 7.748 0.000 . 1 . . . . . 120 GLY H . 51812 2 255 . 1 . 1 88 88 GLY CA C 13 45.021 0.000 . 1 . . . . . 120 GLY CA . 51812 2 256 . 1 . 1 88 88 GLY N N 15 107.245 0.000 . 1 . . . . . 120 GLY N . 51812 2 257 . 1 . 1 89 89 SER H H 1 8.121 0.000 . 1 . . . . . 121 SER H . 51812 2 258 . 1 . 1 89 89 SER CA C 13 57.278 0.000 . 1 . . . . . 121 SER CA . 51812 2 259 . 1 . 1 89 89 SER CB C 13 63.016 0.000 . 1 . . . . . 121 SER CB . 51812 2 260 . 1 . 1 89 89 SER N N 15 118.058 0.005 . 1 . . . . . 121 SER N . 51812 2 261 . 1 . 1 90 90 PRO CA C 13 63.8 0.000 . 1 . . . . . 122 PRO CA . 51812 2 262 . 1 . 1 90 90 PRO CB C 13 32.27 0.000 . 1 . . . . . 122 PRO CB . 51812 2 263 . 1 . 1 91 91 GLY H H 1 8.763 0.002 . 1 . . . . . 123 GLY H . 51812 2 264 . 1 . 1 91 91 GLY CA C 13 45.773 0.000 . 1 . . . . . 123 GLY CA . 51812 2 265 . 1 . 1 91 91 GLY N N 15 109.095 0.015 . 1 . . . . . 123 GLY N . 51812 2 266 . 1 . 1 92 92 SER H H 1 7.793 0.001 . 1 . . . . . 124 SER H . 51812 2 267 . 1 . 1 92 92 SER CA C 13 57.304 0.000 . 1 . . . . . 124 SER CA . 51812 2 268 . 1 . 1 92 92 SER CB C 13 64.035 0.000 . 1 . . . . . 124 SER CB . 51812 2 269 . 1 . 1 92 92 SER N N 15 115.084 0.000 . 1 . . . . . 124 SER N . 51812 2 270 . 1 . 1 93 93 THR H H 1 8.059 0.000 . 1 . . . . . 125 THR H . 51812 2 271 . 1 . 1 93 93 THR CA C 13 57.963 0.000 . 1 . . . . . 125 THR CA . 51812 2 272 . 1 . 1 93 93 THR N N 15 118.924 0.000 . 1 . . . . . 125 THR N . 51812 2 273 . 1 . 1 94 94 SER H H 1 7.57 0.000 . 1 . . . . . 126 SER H . 51812 2 274 . 1 . 1 94 94 SER CA C 13 58.49 0.000 . 1 . . . . . 126 SER CA . 51812 2 275 . 1 . 1 94 94 SER CB C 13 63.203 0.000 . 1 . . . . . 126 SER CB . 51812 2 276 . 1 . 1 94 94 SER N N 15 118.518 0.000 . 1 . . . . . 126 SER N . 51812 2 277 . 1 . 1 95 95 ALA H H 1 7.247 0.007 . 1 . . . . . 127 ALA H . 51812 2 278 . 1 . 1 95 95 ALA CA C 13 55.558 0.000 . 1 . . . . . 127 ALA CA . 51812 2 279 . 1 . 1 95 95 ALA CB C 13 17.34 0.000 . 1 . . . . . 127 ALA CB . 51812 2 280 . 1 . 1 95 95 ALA N N 15 124.649 0.003 . 1 . . . . . 127 ALA N . 51812 2 281 . 1 . 1 96 96 ALA H H 1 8.481 0.001 . 1 . . . . . 128 ALA H . 51812 2 282 . 1 . 1 96 96 ALA CA C 13 55.983 0.000 . 1 . . . . . 128 ALA CA . 51812 2 283 . 1 . 1 96 96 ALA CB C 13 18.766 0.000 . 1 . . . . . 128 ALA CB . 51812 2 284 . 1 . 1 96 96 ALA N N 15 121.76 0.002 . 1 . . . . . 128 ALA N . 51812 2 285 . 1 . 1 97 97 THR H H 1 7.801 0.002 . 1 . . . . . 129 THR H . 51812 2 286 . 1 . 1 97 97 THR CA C 13 66.062 0.000 . 1 . . . . . 129 THR CA . 51812 2 287 . 1 . 1 97 97 THR CB C 13 68.442 0.000 . 1 . . . . . 129 THR CB . 51812 2 288 . 1 . 1 97 97 THR N N 15 114.363 0.024 . 1 . . . . . 129 THR N . 51812 2 289 . 1 . 1 98 98 CYS H H 1 8.218 0.001 . 1 . . . . . 130 CYS H . 51812 2 290 . 1 . 1 98 98 CYS CA C 13 62.911 0.030 . 1 . . . . . 130 CYS CA . 51812 2 291 . 1 . 1 98 98 CYS CB C 13 26.906 0.009 . 1 . . . . . 130 CYS CB . 51812 2 292 . 1 . 1 98 98 CYS N N 15 119.662 0.006 . 1 . . . . . 130 CYS N . 51812 2 293 . 1 . 1 99 99 THR H H 1 7.804 0.002 . 1 . . . . . 131 THR H . 51812 2 294 . 1 . 1 99 99 THR CA C 13 68.172 0.061 . 1 . . . . . 131 THR CA . 51812 2 295 . 1 . 1 99 99 THR N N 15 116.341 0.018 . 1 . . . . . 131 THR N . 51812 2 296 . 1 . 1 100 100 ARG H H 1 7.225 0.004 . 1 . . . . . 132 ARG H . 51812 2 297 . 1 . 1 100 100 ARG CA C 13 58.992 0.000 . 1 . . . . . 132 ARG CA . 51812 2 298 . 1 . 1 100 100 ARG CB C 13 28.99 0.000 . 1 . . . . . 132 ARG CB . 51812 2 299 . 1 . 1 100 100 ARG N N 15 121.022 0.035 . 1 . . . . . 132 ARG N . 51812 2 300 . 1 . 1 101 101 ARG H H 1 7.731 0.000 . 1 . . . . . 133 ARG H . 51812 2 301 . 1 . 1 101 101 ARG CA C 13 59.09 0.000 . 1 . . . . . 133 ARG CA . 51812 2 302 . 1 . 1 101 101 ARG CB C 13 29.363 0.000 . 1 . . . . . 133 ARG CB . 51812 2 303 . 1 . 1 101 101 ARG N N 15 116.956 0.004 . 1 . . . . . 133 ARG N . 51812 2 304 . 1 . 1 102 102 HIS H H 1 8.424 0.000 . 1 . . . . . 134 HIS H . 51812 2 305 . 1 . 1 102 102 HIS CA C 13 59.14 0.104 . 1 . . . . . 134 HIS CA . 51812 2 306 . 1 . 1 102 102 HIS CB C 13 30.775 0.004 . 1 . . . . . 134 HIS CB . 51812 2 307 . 1 . 1 102 102 HIS N N 15 119.992 0.000 . 1 . . . . . 134 HIS N . 51812 2 308 . 1 . 1 103 103 TYR H H 1 8.324 0.004 . 1 . . . . . 135 TYR H . 51812 2 309 . 1 . 1 103 103 TYR CA C 13 63.408 0.010 . 1 . . . . . 135 TYR CA . 51812 2 310 . 1 . 1 103 103 TYR CB C 13 39.605 0.004 . 1 . . . . . 135 TYR CB . 51812 2 311 . 1 . 1 103 103 TYR N N 15 119.542 0.024 . 1 . . . . . 135 TYR N . 51812 2 312 . 1 . 1 104 104 GLU H H 1 9.055 0.003 . 1 . . . . . 136 GLU H . 51812 2 313 . 1 . 1 104 104 GLU CA C 13 59.135 0.002 . 1 . . . . . 136 GLU CA . 51812 2 314 . 1 . 1 104 104 GLU CB C 13 29.683 0.042 . 1 . . . . . 136 GLU CB . 51812 2 315 . 1 . 1 104 104 GLU N N 15 119.957 0.008 . 1 . . . . . 136 GLU N . 51812 2 316 . 1 . 1 105 105 ARG H H 1 7.788 0.000 . 1 . . . . . 137 ARG H . 51812 2 317 . 1 . 1 105 105 ARG CA C 13 58.672 0.040 . 1 . . . . . 137 ARG CA . 51812 2 318 . 1 . 1 105 105 ARG CB C 13 31.806 0.056 . 1 . . . . . 137 ARG CB . 51812 2 319 . 1 . 1 105 105 ARG N N 15 115.125 0.012 . 1 . . . . . 137 ARG N . 51812 2 320 . 1 . 1 106 106 LEU H H 1 8 0.001 . 1 . . . . . 138 LEU H . 51812 2 321 . 1 . 1 106 106 LEU CA C 13 56.576 0.050 . 1 . . . . . 138 LEU CA . 51812 2 322 . 1 . 1 106 106 LEU CB C 13 44.846 0.013 . 1 . . . . . 138 LEU CB . 51812 2 323 . 1 . 1 106 106 LEU N N 15 113.191 0.009 . 1 . . . . . 138 LEU N . 51812 2 324 . 1 . 1 107 107 VAL H H 1 7.705 0.003 . 1 . . . . . 139 VAL H . 51812 2 325 . 1 . 1 107 107 VAL CA C 13 63.666 0.031 . 1 . . . . . 139 VAL CA . 51812 2 326 . 1 . 1 107 107 VAL CB C 13 34.833 0.007 . 1 . . . . . 139 VAL CB . 51812 2 327 . 1 . 1 107 107 VAL N N 15 114.855 0.023 . 1 . . . . . 139 VAL N . 51812 2 328 . 1 . 1 108 108 LEU H H 1 7.642 0.003 . 1 . . . . . 140 LEU H . 51812 2 329 . 1 . 1 108 108 LEU CA C 13 58.874 0.000 . 1 . . . . . 140 LEU CA . 51812 2 330 . 1 . 1 108 108 LEU CB C 13 40.325 0.000 . 1 . . . . . 140 LEU CB . 51812 2 331 . 1 . 1 108 108 LEU N N 15 119.213 0.034 . 1 . . . . . 140 LEU N . 51812 2 332 . 1 . 1 109 109 PRO CA C 13 66.883 0.022 . 1 . . . . . 141 PRO CA . 51812 2 333 . 1 . 1 109 109 PRO CB C 13 30.767 0.038 . 1 . . . . . 141 PRO CB . 51812 2 334 . 1 . 1 110 110 TYR H H 1 7.867 0.004 . 1 . . . . . 142 TYR H . 51812 2 335 . 1 . 1 110 110 TYR CA C 13 60.087 0.001 . 1 . . . . . 142 TYR CA . 51812 2 336 . 1 . 1 110 110 TYR CB C 13 39.248 0.012 . 1 . . . . . 142 TYR CB . 51812 2 337 . 1 . 1 110 110 TYR N N 15 118.236 0.030 . 1 . . . . . 142 TYR N . 51812 2 338 . 1 . 1 111 111 VAL H H 1 7.887 0.001 . 1 . . . . . 143 VAL H . 51812 2 339 . 1 . 1 111 111 VAL CA C 13 67.366 0.014 . 1 . . . . . 143 VAL CA . 51812 2 340 . 1 . 1 111 111 VAL CB C 13 31.684 0.012 . 1 . . . . . 143 VAL CB . 51812 2 341 . 1 . 1 111 111 VAL N N 15 120.569 0.018 . 1 . . . . . 143 VAL N . 51812 2 342 . 1 . 1 112 112 ARG H H 1 8.673 0.001 . 1 . . . . . 144 ARG H . 51812 2 343 . 1 . 1 112 112 ARG CA C 13 59.979 0.000 . 1 . . . . . 144 ARG CA . 51812 2 344 . 1 . 1 112 112 ARG CB C 13 29.897 0.000 . 1 . . . . . 144 ARG CB . 51812 2 345 . 1 . 1 112 112 ARG N N 15 117.862 0.026 . 1 . . . . . 144 ARG N . 51812 2 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_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51812 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name shifts_145-183 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCACB' . . . 51812 3 5 '3D CBCA(CO)NH' . . . 51812 3 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 2 $software_2 . . 51812 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 113 113 HIS H H 1 7.306 0.001 . 1 . . . . . 145 HIS H . 51812 3 2 . 1 . 1 113 113 HIS CA C 13 59.236 0.000 . 1 . . . . . 145 HIS CA . 51812 3 3 . 1 . 1 113 113 HIS CB C 13 29.023 0.000 . 1 . . . . . 145 HIS CB . 51812 3 4 . 1 . 1 113 113 HIS N N 15 118.74 0.013 . 1 . . . . . 145 HIS N . 51812 3 5 . 1 . 1 114 114 LEU H H 1 8.329 0.001 . 1 . . . . . 146 LEU H . 51812 3 6 . 1 . 1 114 114 LEU CA C 13 56.552 0.000 . 1 . . . . . 146 LEU CA . 51812 3 7 . 1 . 1 114 114 LEU CB C 13 42.316 0.000 . 1 . . . . . 146 LEU CB . 51812 3 8 . 1 . 1 114 114 LEU N N 15 122.256 0.009 . 1 . . . . . 146 LEU N . 51812 3 9 . 1 . 1 115 115 LYS H H 1 7.669 0.000 . 1 . . . . . 147 LYS H . 51812 3 10 . 1 . 1 115 115 LYS CA C 13 57.059 0.000 . 1 . . . . . 147 LYS CA . 51812 3 11 . 1 . 1 115 115 LYS CB C 13 33.354 0.000 . 1 . . . . . 147 LYS CB . 51812 3 12 . 1 . 1 115 115 LYS N N 15 115.785 0.004 . 1 . . . . . 147 LYS N . 51812 3 13 . 1 . 1 116 116 GLY H H 1 7.636 0.000 . 1 . . . . . 148 GLY H . 51812 3 14 . 1 . 1 116 116 GLY CA C 13 46.381 0.000 . 1 . . . . . 148 GLY CA . 51812 3 15 . 1 . 1 116 116 GLY N N 15 108.267 0.000 . 1 . . . . . 148 GLY N . 51812 3 16 . 1 . 1 117 117 GLU H H 1 8.167 0.000 . 1 . . . . . 149 GLU H . 51812 3 17 . 1 . 1 117 117 GLU CA C 13 56.222 0.000 . 1 . . . . . 149 GLU CA . 51812 3 18 . 1 . 1 117 117 GLU CB C 13 30.768 0.000 . 1 . . . . . 149 GLU CB . 51812 3 19 . 1 . 1 117 117 GLU N N 15 119.241 0.007 . 1 . . . . . 149 GLU N . 51812 3 20 . 1 . 1 118 118 ASP H H 1 8.279 0.000 . 1 . . . . . 150 ASP H . 51812 3 21 . 1 . 1 118 118 ASP CA C 13 54.828 0.000 . 1 . . . . . 150 ASP CA . 51812 3 22 . 1 . 1 118 118 ASP CB C 13 41.392 0.000 . 1 . . . . . 150 ASP CB . 51812 3 23 . 1 . 1 118 118 ASP N N 15 119.637 0.001 . 1 . . . . . 150 ASP N . 51812 3 24 . 1 . 1 119 119 ASP H H 1 8.228 0.000 . 1 . . . . . 151 ASP H . 51812 3 25 . 1 . 1 119 119 ASP CA C 13 54.63 0.000 . 1 . . . . . 151 ASP CA . 51812 3 26 . 1 . 1 119 119 ASP CB C 13 41.325 0.000 . 1 . . . . . 151 ASP CB . 51812 3 27 . 1 . 1 119 119 ASP N N 15 119.411 0.000 . 1 . . . . . 151 ASP N . 51812 3 28 . 1 . 1 120 120 LYS H H 1 7.887 0.000 . 1 . . . . . 152 LYS H . 51812 3 29 . 1 . 1 120 120 LYS CA C 13 54.582 0.000 . 1 . . . . . 152 LYS CA . 51812 3 30 . 1 . 1 120 120 LYS CB C 13 32.796 0.000 . 1 . . . . . 152 LYS CB . 51812 3 31 . 1 . 1 120 120 LYS N N 15 122.159 0.001 . 1 . . . . . 152 LYS N . 51812 3 32 . 1 . 1 121 121 PRO CA C 13 63.195 0.000 . 1 . . . . . 153 PRO CA . 51812 3 33 . 1 . 1 121 121 PRO CB C 13 32.282 0.000 . 1 . . . . . 153 PRO CB . 51812 3 34 . 1 . 1 122 122 LEU H H 1 8.381 0.000 . 1 . . . . . 154 LEU H . 51812 3 35 . 1 . 1 122 122 LEU CA C 13 53.168 0.000 . 1 . . . . . 154 LEU CA . 51812 3 36 . 1 . 1 122 122 LEU CB C 13 41.878 0.000 . 1 . . . . . 154 LEU CB . 51812 3 37 . 1 . 1 122 122 LEU N N 15 123.894 0.006 . 1 . . . . . 154 LEU N . 51812 3 38 . 1 . 1 123 123 PRO CA C 13 62.061 0.000 . 1 . . . . . 155 PRO CA . 51812 3 39 . 1 . 1 123 123 PRO CB C 13 31.084 0.000 . 1 . . . . . 155 PRO CB . 51812 3 40 . 1 . 1 124 124 THR H H 1 8.275 0.003 . 1 . . . . . 156 THR H . 51812 3 41 . 1 . 1 124 124 THR CA C 13 61.82 0.493 . 1 . . . . . 156 THR CA . 51812 3 42 . 1 . 1 124 124 THR CB C 13 69.913 0.077 . 1 . . . . . 156 THR CB . 51812 3 43 . 1 . 1 124 124 THR N N 15 123.118 0.137 . 1 . . . . . 156 THR N . 51812 3 44 . 1 . 1 125 125 SER H H 1 8.174 0.001 . 1 . . . . . 157 SER H . 51812 3 45 . 1 . 1 125 125 SER CA C 13 58.433 0.000 . 1 . . . . . 157 SER CA . 51812 3 46 . 1 . 1 125 125 SER CB C 13 64.119 0.000 . 1 . . . . . 157 SER CB . 51812 3 47 . 1 . 1 125 125 SER N N 15 118.122 0.002 . 1 . . . . . 157 SER N . 51812 3 48 . 1 . 1 126 126 LYS H H 1 8.239 0.000 . 1 . . . . . 158 LYS H . 51812 3 49 . 1 . 1 126 126 LYS CA C 13 54.601 0.000 . 1 . . . . . 158 LYS CA . 51812 3 50 . 1 . 1 126 126 LYS CB C 13 32.748 0.000 . 1 . . . . . 158 LYS CB . 51812 3 51 . 1 . 1 126 126 LYS N N 15 124.173 0.002 . 1 . . . . . 158 LYS N . 51812 3 52 . 1 . 1 127 127 PRO CA C 13 62.121 0.000 . 1 . . . . . 159 PRO CA . 51812 3 53 . 1 . 1 127 127 PRO CB C 13 30.943 0.000 . 1 . . . . . 159 PRO CB . 51812 3 54 . 1 . 1 128 128 ARG H H 1 8.28 0.002 . 1 . . . . . 160 ARG H . 51812 3 55 . 1 . 1 128 128 ARG CA C 13 56.556 0.000 . 1 . . . . . 160 ARG CA . 51812 3 56 . 1 . 1 128 128 ARG CB C 13 33.333 0.000 . 1 . . . . . 160 ARG CB . 51812 3 57 . 1 . 1 128 128 ARG N N 15 122.898 0.016 . 1 . . . . . 160 ARG N . 51812 3 58 . 1 . 1 129 129 LYS H H 1 8.465 0.000 . 1 . . . . . 161 LYS H . 51812 3 59 . 1 . 1 129 129 LYS CA C 13 56.597 0.000 . 1 . . . . . 161 LYS CA . 51812 3 60 . 1 . 1 129 129 LYS CB C 13 33.433 0.000 . 1 . . . . . 161 LYS CB . 51812 3 61 . 1 . 1 129 129 LYS N N 15 124.64 0.000 . 1 . . . . . 161 LYS N . 51812 3 62 . 1 . 1 130 130 GLN H H 1 8.184 0.001 . 1 . . . . . 162 GLN H . 51812 3 63 . 1 . 1 130 130 GLN HE21 H 1 7.459 0.000 . 1 . . . . . 162 GLN HE21 . 51812 3 64 . 1 . 1 130 130 GLN HE22 H 1 6.806 0.000 . 1 . . . . . 162 GLN HE22 . 51812 3 65 . 1 . 1 130 130 GLN CA C 13 56.526 0.000 . 1 . . . . . 162 GLN CA . 51812 3 66 . 1 . 1 130 130 GLN CB C 13 33.447 0.000 . 1 . . . . . 162 GLN CB . 51812 3 67 . 1 . 1 130 130 GLN N N 15 123.314 0.021 . 1 . . . . . 162 GLN N . 51812 3 68 . 1 . 1 130 130 GLN NE2 N 15 112.301 0.000 . 1 . . . . . 162 GLN NE2 . 51812 3 69 . 1 . 1 131 131 TYR H H 1 8.23 0.000 . 1 . . . . . 163 TYR H . 51812 3 70 . 1 . 1 131 131 TYR CA C 13 56.465 0.000 . 1 . . . . . 163 TYR CA . 51812 3 71 . 1 . 1 131 131 TYR CB C 13 33.53 0.000 . 1 . . . . . 163 TYR CB . 51812 3 72 . 1 . 1 131 131 TYR N N 15 122.774 0.001 . 1 . . . . . 163 TYR N . 51812 3 73 . 1 . 1 132 132 LYS H H 1 8.396 0.000 . 1 . . . . . 164 LYS H . 51812 3 74 . 1 . 1 132 132 LYS CA C 13 56.539 0.000 . 1 . . . . . 164 LYS CA . 51812 3 75 . 1 . 1 132 132 LYS CB C 13 31.104 0.000 . 1 . . . . . 164 LYS CB . 51812 3 76 . 1 . 1 132 132 LYS N N 15 121.974 0.000 . 1 . . . . . 164 LYS N . 51812 3 77 . 1 . 1 133 133 MET H H 1 8.247 0.000 . 1 . . . . . 165 MET H . 51812 3 78 . 1 . 1 133 133 MET CA C 13 55.757 0.000 . 1 . . . . . 165 MET CA . 51812 3 79 . 1 . 1 133 133 MET CB C 13 33.345 0.000 . 1 . . . . . 165 MET CB . 51812 3 80 . 1 . 1 133 133 MET N N 15 121.82 0.008 . 1 . . . . . 165 MET N . 51812 3 81 . 1 . 1 134 134 ALA H H 1 8.255 0.000 . 1 . . . . . 166 ALA H . 51812 3 82 . 1 . 1 134 134 ALA CA C 13 52.814 0.000 . 1 . . . . . 166 ALA CA . 51812 3 83 . 1 . 1 134 134 ALA CB C 13 19.55 0.000 . 1 . . . . . 166 ALA CB . 51812 3 84 . 1 . 1 134 134 ALA N N 15 125.723 0.005 . 1 . . . . . 166 ALA N . 51812 3 85 . 1 . 1 135 135 LYS H H 1 8.24 0.000 . 1 . . . . . 167 LYS H . 51812 3 86 . 1 . 1 135 135 LYS CA C 13 56.691 0.000 . 1 . . . . . 167 LYS CA . 51812 3 87 . 1 . 1 135 135 LYS CB C 13 33.29 0.000 . 1 . . . . . 167 LYS CB . 51812 3 88 . 1 . 1 135 135 LYS N N 15 120.625 0.005 . 1 . . . . . 167 LYS N . 51812 3 89 . 1 . 1 136 136 GLU H H 1 8.306 0.000 . 1 . . . . . 168 GLU H . 51812 3 90 . 1 . 1 136 136 GLU CA C 13 56.143 0.000 . 1 . . . . . 168 GLU CA . 51812 3 91 . 1 . 1 136 136 GLU CB C 13 30.06 0.000 . 1 . . . . . 168 GLU CB . 51812 3 92 . 1 . 1 136 136 GLU N N 15 121.67 0.001 . 1 . . . . . 168 GLU N . 51812 3 93 . 1 . 1 137 137 ASN H H 1 8.211 0.000 . 1 . . . . . 169 ASN H . 51812 3 94 . 1 . 1 137 137 ASN HD21 H 1 7.561 0.000 . 1 . . . . . 169 ASN HD21 . 51812 3 95 . 1 . 1 137 137 ASN HD22 H 1 6.865 0.000 . 1 . . . . . 169 ASN HD22 . 51812 3 96 . 1 . 1 137 137 ASN CA C 13 58.215 0.000 . 1 . . . . . 169 ASN CA . 51812 3 97 . 1 . 1 137 137 ASN CB C 13 39.243 0.000 . 1 . . . . . 169 ASN CB . 51812 3 98 . 1 . 1 137 137 ASN N N 15 122.194 0.001 . 1 . . . . . 169 ASN N . 51812 3 99 . 1 . 1 137 137 ASN ND2 N 15 112.943 0.000 . 1 . . . . . 169 ASN ND2 . 51812 3 100 . 1 . 1 138 138 ARG H H 1 8.356 0.003 . 1 . . . . . 170 ARG H . 51812 3 101 . 1 . 1 138 138 ARG CA C 13 56.644 0.000 . 1 . . . . . 170 ARG CA . 51812 3 102 . 1 . 1 138 138 ARG CB C 13 31.006 0.000 . 1 . . . . . 170 ARG CB . 51812 3 103 . 1 . 1 138 138 ARG N N 15 121.804 0.000 . 1 . . . . . 170 ARG N . 51812 3 104 . 1 . 1 139 139 GLY H H 1 8.378 0.000 . 1 . . . . . 171 GLY H . 51812 3 105 . 1 . 1 139 139 GLY CA C 13 45.517 0.000 . 1 . . . . . 171 GLY CA . 51812 3 106 . 1 . 1 139 139 GLY N N 15 109.563 0.000 . 1 . . . . . 171 GLY N . 51812 3 107 . 1 . 1 140 140 ASP H H 1 8.202 0.000 . 1 . . . . . 172 ASP H . 51812 3 108 . 1 . 1 140 140 ASP CA C 13 54.532 0.000 . 1 . . . . . 172 ASP CA . 51812 3 109 . 1 . 1 140 140 ASP CB C 13 41.5 0.000 . 1 . . . . . 172 ASP CB . 51812 3 110 . 1 . 1 140 140 ASP N N 15 120.399 0.002 . 1 . . . . . 172 ASP N . 51812 3 111 . 1 . 1 141 141 ASP H H 1 8.308 0.000 . 1 . . . . . 173 ASP H . 51812 3 112 . 1 . 1 141 141 ASP CA C 13 54.718 0.000 . 1 . . . . . 173 ASP CA . 51812 3 113 . 1 . 1 141 141 ASP CB C 13 41.312 0.000 . 1 . . . . . 173 ASP CB . 51812 3 114 . 1 . 1 141 141 ASP N N 15 120.906 0.004 . 1 . . . . . 173 ASP N . 51812 3 115 . 1 . 1 142 142 GLY H H 1 8.382 0.000 . 1 . . . . . 174 GLY H . 51812 3 116 . 1 . 1 142 142 GLY CA C 13 45.721 0.000 . 1 . . . . . 174 GLY CA . 51812 3 117 . 1 . 1 142 142 GLY N N 15 109.187 0.000 . 1 . . . . . 174 GLY N . 51812 3 118 . 1 . 1 143 143 ALA H H 1 8.032 0.000 . 1 . . . . . 175 ALA H . 51812 3 119 . 1 . 1 143 143 ALA CA C 13 52.961 0.000 . 1 . . . . . 175 ALA CA . 51812 3 120 . 1 . 1 143 143 ALA CB C 13 19.536 0.000 . 1 . . . . . 175 ALA CB . 51812 3 121 . 1 . 1 143 143 ALA N N 15 123.491 0.006 . 1 . . . . . 175 ALA N . 51812 3 122 . 1 . 1 144 144 THR H H 1 8.03 0.000 . 1 . . . . . 176 THR H . 51812 3 123 . 1 . 1 144 144 THR CA C 13 62.24 0.000 . 1 . . . . . 176 THR CA . 51812 3 124 . 1 . 1 144 144 THR CB C 13 70.01 0.000 . 1 . . . . . 176 THR CB . 51812 3 125 . 1 . 1 144 144 THR N N 15 112.996 0.001 . 1 . . . . . 176 THR N . 51812 3 126 . 1 . 1 145 145 GLU H H 1 8.276 0.001 . 1 . . . . . 177 GLU H . 51812 3 127 . 1 . 1 145 145 GLU CA C 13 56.602 0.000 . 1 . . . . . 177 GLU CA . 51812 3 128 . 1 . 1 145 145 GLU CB C 13 30.53 0.000 . 1 . . . . . 177 GLU CB . 51812 3 129 . 1 . 1 145 145 GLU N N 15 123.252 0.017 . 1 . . . . . 177 GLU N . 51812 3 130 . 1 . 1 146 146 ARG H H 1 8.28 0.000 . 1 . . . . . 178 ARG H . 51812 3 131 . 1 . 1 146 146 ARG CA C 13 54.349 0.000 . 1 . . . . . 178 ARG CA . 51812 3 132 . 1 . 1 146 146 ARG CB C 13 30.192 0.000 . 1 . . . . . 178 ARG CB . 51812 3 133 . 1 . 1 146 146 ARG N N 15 123.555 0.004 . 1 . . . . . 178 ARG N . 51812 3 134 . 1 . 1 147 147 PRO CA C 13 62.867 0.000 . 1 . . . . . 179 PRO CA . 51812 3 135 . 1 . 1 147 147 PRO CB C 13 32.15 0.000 . 1 . . . . . 179 PRO CB . 51812 3 136 . 1 . 1 148 148 LYS H H 1 8.399 0.003 . 1 . . . . . 180 LYS H . 51812 3 137 . 1 . 1 148 148 LYS CA C 13 56.611 0.000 . 1 . . . . . 180 LYS CA . 51812 3 138 . 1 . 1 148 148 LYS CB C 13 33.17 0.000 . 1 . . . . . 180 LYS CB . 51812 3 139 . 1 . 1 148 148 LYS N N 15 121.647 0.000 . 1 . . . . . 180 LYS N . 51812 3 140 . 1 . 1 149 149 LYS H H 1 8.396 0.001 . 1 . . . . . 181 LYS H . 51812 3 141 . 1 . 1 149 149 LYS CA C 13 56.728 0.000 . 1 . . . . . 181 LYS CA . 51812 3 142 . 1 . 1 149 149 LYS CB C 13 33.17 0.000 . 1 . . . . . 181 LYS CB . 51812 3 143 . 1 . 1 149 149 LYS N N 15 121.461 0.000 . 1 . . . . . 181 LYS N . 51812 3 144 . 1 . 1 150 150 ALA H H 1 8.309 0.000 . 1 . . . . . 182 ALA H . 51812 3 145 . 1 . 1 150 150 ALA CA C 13 52.792 0.000 . 1 . . . . . 182 ALA CA . 51812 3 146 . 1 . 1 150 150 ALA CB C 13 19.646 0.000 . 1 . . . . . 182 ALA CB . 51812 3 147 . 1 . 1 150 150 ALA N N 15 126.648 0.002 . 1 . . . . . 182 ALA N . 51812 3 148 . 1 . 1 151 151 LYS H H 1 7.811 0.000 . 1 . . . . . 183 LYS H . 51812 3 149 . 1 . 1 151 151 LYS CA C 13 58.171 0.000 . 1 . . . . . 183 LYS CA . 51812 3 150 . 1 . 1 151 151 LYS CB C 13 33.937 0.000 . 1 . . . . . 183 LYS CB . 51812 3 151 . 1 . 1 151 151 LYS N N 15 125.375 0.002 . 1 . . . . . 183 LYS N . 51812 3 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_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 51812 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name shifts_37-183 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '2D 1H-15N HSQC' . . . 51812 4 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 2 $software_2 . . 51812 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.364 0.000 . 1 . . . . . 35 MET H . 51812 4 2 . 1 . 1 3 3 MET N N 15 119.831 0.000 . 1 . . . . . 35 MET N . 51812 4 3 . 1 . 1 4 4 ALA H H 1 8.275 0.000 . 1 . . . . . 36 ALA H . 51812 4 4 . 1 . 1 4 4 ALA N N 15 125.994 0.000 . 1 . . . . . 36 ALA N . 51812 4 5 . 1 . 1 5 5 ILE H H 1 8.054 0.000 . 1 . . . . . 37 ILE H . 51812 4 6 . 1 . 1 5 5 ILE N N 15 120.274 0.000 . 1 . . . . . 37 ILE N . 51812 4 7 . 1 . 1 6 6 SER H H 1 8.348 0.000 . 1 . . . . . 38 SER H . 51812 4 8 . 1 . 1 6 6 SER N N 15 119.927 0.000 . 1 . . . . . 38 SER N . 51812 4 9 . 1 . 1 7 7 LEU H H 1 8.380 0.000 . 1 . . . . . 39 LEU H . 51812 4 10 . 1 . 1 7 7 LEU N N 15 125.177 0.000 . 1 . . . . . 39 LEU N . 51812 4 11 . 1 . 1 8 8 GLU H H 1 8.410 0.000 . 1 . . . . . 40 GLU H . 51812 4 12 . 1 . 1 8 8 GLU N N 15 121.621 0.000 . 1 . . . . . 40 GLU N . 51812 4 13 . 1 . 1 9 9 ASP H H 1 8.159 0.000 . 1 . . . . . 41 ASP H . 51812 4 14 . 1 . 1 9 9 ASP N N 15 120.928 0.000 . 1 . . . . . 41 ASP N . 51812 4 15 . 1 . 1 10 10 SER H H 1 8.115 0.000 . 1 . . . . . 42 SER H . 51812 4 16 . 1 . 1 10 10 SER N N 15 116.826 0.000 . 1 . . . . . 42 SER N . 51812 4 17 . 1 . 1 12 12 GLU H H 1 8.424 0.000 . 1 . . . . . 44 GLU H . 51812 4 18 . 1 . 1 12 12 GLU N N 15 120.538 0.000 . 1 . . . . . 44 GLU N . 51812 4 19 . 1 . 1 13 13 ALA H H 1 8.206 0.000 . 1 . . . . . 45 ALA H . 51812 4 20 . 1 . 1 13 13 ALA N N 15 125.187 0.000 . 1 . . . . . 45 ALA N . 51812 4 21 . 1 . 1 14 14 GLY H H 1 8.359 0.000 . 1 . . . . . 46 GLY H . 51812 4 22 . 1 . 1 14 14 GLY N N 15 108.386 0.000 . 1 . . . . . 46 GLY N . 51812 4 23 . 1 . 1 15 15 GLY H H 1 8.235 0.000 . 1 . . . . . 47 GLY H . 51812 4 24 . 1 . 1 15 15 GLY N N 15 108.871 0.000 . 1 . . . . . 47 GLY N . 51812 4 25 . 1 . 1 16 16 GLU H H 1 8.444 0.000 . 1 . . . . . 48 GLU H . 51812 4 26 . 1 . 1 16 16 GLU N N 15 120.933 0.000 . 1 . . . . . 48 GLU N . 51812 4 27 . 1 . 1 19 19 GLU H H 1 8.285 0.000 . 1 . . . . . 51 GLU H . 51812 4 28 . 1 . 1 19 19 GLU N N 15 120.586 0.000 . 1 . . . . . 51 GLU N . 51812 4 29 . 1 . 1 20 20 GLU H H 1 8.163 0.000 . 1 . . . . . 52 GLU H . 51812 4 30 . 1 . 1 20 20 GLU N N 15 120.446 0.000 . 1 . . . . . 52 GLU N . 51812 4 31 . 1 . 1 21 21 GLN H H 1 8.245 0.000 . 1 . . . . . 53 GLN H . 51812 4 32 . 1 . 1 21 21 GLN HE21 H 1 7.588 0.000 . 1 . . . . . 53 GLN HE21 . 51812 4 33 . 1 . 1 21 21 GLN HE22 H 1 6.811 0.000 . 1 . . . . . 53 GLN HE22 . 51812 4 34 . 1 . 1 21 21 GLN N N 15 119.991 0.000 . 1 . . . . . 53 GLN N . 51812 4 35 . 1 . 1 21 21 GLN NE2 N 15 112.407 0.011 . 1 . . . . . 53 GLN NE2 . 51812 4 36 . 1 . 1 22 22 GLU H H 1 8.106 0.000 . 1 . . . . . 54 GLU H . 51812 4 37 . 1 . 1 22 22 GLU N N 15 121.588 0.000 . 1 . . . . . 54 GLU N . 51812 4 38 . 1 . 1 24 24 GLU H H 1 7.927 0.000 . 1 . . . . . 56 GLU H . 51812 4 39 . 1 . 1 24 24 GLU N N 15 119.628 0.000 . 1 . . . . . 56 GLU N . 51812 4 40 . 1 . 1 25 25 GLU H H 1 8.165 0.000 . 1 . . . . . 57 GLU H . 51812 4 41 . 1 . 1 25 25 GLU N N 15 120.068 0.000 . 1 . . . . . 57 GLU N . 51812 4 42 . 1 . 1 26 26 GLU H H 1 8.215 0.000 . 1 . . . . . 58 GLU H . 51812 4 43 . 1 . 1 26 26 GLU N N 15 121.172 0.000 . 1 . . . . . 58 GLU N . 51812 4 44 . 1 . 1 27 27 GLN H H 1 7.697 0.000 . 1 . . . . . 59 GLN H . 51812 4 45 . 1 . 1 27 27 GLN HE21 H 1 7.385 0.000 . 1 . . . . . 59 GLN HE21 . 51812 4 46 . 1 . 1 27 27 GLN HE22 H 1 6.742 0.000 . 1 . . . . . 59 GLN HE22 . 51812 4 47 . 1 . 1 27 27 GLN N N 15 115.879 0.000 . 1 . . . . . 59 GLN N . 51812 4 48 . 1 . 1 27 27 GLN NE2 N 15 112.121 0.000 . 1 . . . . . 59 GLN NE2 . 51812 4 49 . 1 . 1 28 28 ALA H H 1 7.806 0.000 . 1 . . . . . 60 ALA H . 51812 4 50 . 1 . 1 28 28 ALA N N 15 120.384 0.000 . 1 . . . . . 60 ALA N . 51812 4 51 . 1 . 1 29 29 PHE H H 1 7.998 0.000 . 1 . . . . . 61 PHE H . 51812 4 52 . 1 . 1 29 29 PHE N N 15 120.601 0.000 . 1 . . . . . 61 PHE N . 51812 4 53 . 1 . 1 30 30 LEU H H 1 8.353 0.000 . 1 . . . . . 62 LEU H . 51812 4 54 . 1 . 1 30 30 LEU N N 15 118.834 0.000 . 1 . . . . . 62 LEU N . 51812 4 55 . 1 . 1 31 31 VAL H H 1 8.173 0.000 . 1 . . . . . 63 VAL H . 51812 4 56 . 1 . 1 31 31 VAL N N 15 118.092 0.000 . 1 . . . . . 63 VAL N . 51812 4 57 . 1 . 1 32 32 SER H H 1 7.626 0.000 . 1 . . . . . 64 SER H . 51812 4 58 . 1 . 1 32 32 SER N N 15 116.392 0.000 . 1 . . . . . 64 SER N . 51812 4 59 . 1 . 1 33 33 LEU H H 1 8.657 0.000 . 1 . . . . . 65 LEU H . 51812 4 60 . 1 . 1 33 33 LEU N N 15 126.296 0.000 . 1 . . . . . 65 LEU N . 51812 4 61 . 1 . 1 34 34 TYR H H 1 8.562 0.000 . 1 . . . . . 66 TYR H . 51812 4 62 . 1 . 1 34 34 TYR N N 15 117.917 0.000 . 1 . . . . . 66 TYR N . 51812 4 63 . 1 . 1 35 35 LYS H H 1 7.798 0.000 . 1 . . . . . 67 LYS H . 51812 4 64 . 1 . 1 35 35 LYS N N 15 120.788 0.000 . 1 . . . . . 67 LYS N . 51812 4 65 . 1 . 1 36 36 PHE H H 1 8.079 0.000 . 1 . . . . . 68 PHE H . 51812 4 66 . 1 . 1 36 36 PHE N N 15 120.481 0.000 . 1 . . . . . 68 PHE N . 51812 4 67 . 1 . 1 37 37 MET H H 1 8.186 0.000 . 1 . . . . . 69 MET H . 51812 4 68 . 1 . 1 37 37 MET N N 15 116.619 0.000 . 1 . . . . . 69 MET N . 51812 4 69 . 1 . 1 38 38 LYS H H 1 7.963 0.000 . 1 . . . . . 70 LYS H . 51812 4 70 . 1 . 1 38 38 LYS N N 15 120.900 0.000 . 1 . . . . . 70 LYS N . 51812 4 71 . 1 . 1 39 39 GLU H H 1 8.227 0.000 . 1 . . . . . 71 GLU H . 51812 4 72 . 1 . 1 39 39 GLU N N 15 121.503 0.000 . 1 . . . . . 71 GLU N . 51812 4 73 . 1 . 1 40 40 ARG H H 1 7.086 0.000 . 1 . . . . . 72 ARG H . 51812 4 74 . 1 . 1 40 40 ARG N N 15 117.128 0.000 . 1 . . . . . 72 ARG N . 51812 4 75 . 1 . 1 41 41 HIS H H 1 7.603 0.000 . 1 . . . . . 73 HIS H . 51812 4 76 . 1 . 1 41 41 HIS N N 15 111.176 0.000 . 1 . . . . . 73 HIS N . 51812 4 77 . 1 . 1 42 42 THR H H 1 8.140 0.000 . 1 . . . . . 74 THR H . 51812 4 78 . 1 . 1 42 42 THR N N 15 108.814 0.000 . 1 . . . . . 74 THR N . 51812 4 79 . 1 . 1 44 44 ILE H H 1 8.389 0.000 . 1 . . . . . 76 ILE H . 51812 4 80 . 1 . 1 44 44 ILE N N 15 121.220 0.000 . 1 . . . . . 76 ILE N . 51812 4 81 . 1 . 1 45 45 GLU H H 1 8.436 0.000 . 1 . . . . . 77 GLU H . 51812 4 82 . 1 . 1 45 45 GLU N N 15 128.323 0.000 . 1 . . . . . 77 GLU N . 51812 4 83 . 1 . 1 46 46 ARG H H 1 7.741 0.000 . 1 . . . . . 78 ARG H . 51812 4 84 . 1 . 1 46 46 ARG N N 15 118.012 0.000 . 1 . . . . . 78 ARG N . 51812 4 85 . 1 . 1 47 47 VAL H H 1 8.602 0.000 . 1 . . . . . 79 VAL H . 51812 4 86 . 1 . 1 47 47 VAL N N 15 125.639 0.000 . 1 . . . . . 79 VAL N . 51812 4 87 . 1 . 1 49 49 HIS H H 1 8.362 0.000 . 1 . . . . . 81 HIS H . 51812 4 88 . 1 . 1 49 49 HIS N N 15 117.536 0.000 . 1 . . . . . 81 HIS N . 51812 4 89 . 1 . 1 50 50 LEU H H 1 8.428 0.000 . 1 . . . . . 82 LEU H . 51812 4 90 . 1 . 1 50 50 LEU N N 15 122.985 0.000 . 1 . . . . . 82 LEU N . 51812 4 91 . 1 . 1 51 51 GLY H H 1 8.984 0.000 . 1 . . . . . 83 GLY H . 51812 4 92 . 1 . 1 51 51 GLY N N 15 115.511 0.000 . 1 . . . . . 83 GLY N . 51812 4 93 . 1 . 1 52 52 PHE H H 1 8.581 0.000 . 1 . . . . . 84 PHE H . 51812 4 94 . 1 . 1 52 52 PHE N N 15 118.744 0.000 . 1 . . . . . 84 PHE N . 51812 4 95 . 1 . 1 53 53 LYS H H 1 7.541 0.000 . 1 . . . . . 85 LYS H . 51812 4 96 . 1 . 1 53 53 LYS N N 15 118.844 0.000 . 1 . . . . . 85 LYS N . 51812 4 97 . 1 . 1 54 54 GLN H H 1 8.545 0.000 . 1 . . . . . 86 GLN H . 51812 4 98 . 1 . 1 54 54 GLN HE21 H 1 7.625 0.000 . 1 . . . . . 86 GLN HE21 . 51812 4 99 . 1 . 1 54 54 GLN HE22 H 1 6.898 0.000 . 1 . . . . . 86 GLN HE22 . 51812 4 100 . 1 . 1 54 54 GLN N N 15 123.578 0.000 . 1 . . . . . 86 GLN N . 51812 4 101 . 1 . 1 54 54 GLN NE2 N 15 112.828 0.003 . 1 . . . . . 86 GLN NE2 . 51812 4 102 . 1 . 1 55 55 ILE H H 1 8.208 0.000 . 1 . . . . . 87 ILE H . 51812 4 103 . 1 . 1 55 55 ILE N N 15 124.823 0.000 . 1 . . . . . 87 ILE N . 51812 4 104 . 1 . 1 56 56 ASN H H 1 8.084 0.000 . 1 . . . . . 88 ASN H . 51812 4 105 . 1 . 1 56 56 ASN N N 15 125.230 0.000 . 1 . . . . . 88 ASN N . 51812 4 106 . 1 . 1 57 57 LEU H H 1 8.974 0.000 . 1 . . . . . 89 LEU H . 51812 4 107 . 1 . 1 57 57 LEU N N 15 125.936 0.000 . 1 . . . . . 89 LEU N . 51812 4 108 . 1 . 1 58 58 TRP HE1 H 1 10.344 0.000 . 1 . . . . . 90 TRP HE1 . 51812 4 109 . 1 . 1 58 58 TRP NE1 N 15 129.377 0.000 . 1 . . . . . 90 TRP NE1 . 51812 4 110 . 1 . 1 59 59 LYS H H 1 8.050 0.000 . 1 . . . . . 91 LYS H . 51812 4 111 . 1 . 1 59 59 LYS N N 15 117.858 0.000 . 1 . . . . . 91 LYS N . 51812 4 112 . 1 . 1 60 60 ILE H H 1 8.426 0.000 . 1 . . . . . 92 ILE H . 51812 4 113 . 1 . 1 60 60 ILE N N 15 118.845 0.000 . 1 . . . . . 92 ILE N . 51812 4 114 . 1 . 1 61 61 TYR H H 1 7.598 0.000 . 1 . . . . . 93 TYR H . 51812 4 115 . 1 . 1 61 61 TYR N N 15 123.999 0.000 . 1 . . . . . 93 TYR N . 51812 4 116 . 1 . 1 62 62 LYS H H 1 8.029 0.000 . 1 . . . . . 94 LYS H . 51812 4 117 . 1 . 1 62 62 LYS N N 15 118.960 0.000 . 1 . . . . . 94 LYS N . 51812 4 118 . 1 . 1 63 63 ALA H H 1 8.238 0.000 . 1 . . . . . 95 ALA H . 51812 4 119 . 1 . 1 63 63 ALA N N 15 121.867 0.000 . 1 . . . . . 95 ALA N . 51812 4 120 . 1 . 1 64 64 VAL H H 1 7.490 0.000 . 1 . . . . . 96 VAL H . 51812 4 121 . 1 . 1 64 64 VAL N N 15 115.677 0.000 . 1 . . . . . 96 VAL N . 51812 4 122 . 1 . 1 65 65 GLU H H 1 7.366 0.000 . 1 . . . . . 97 GLU H . 51812 4 123 . 1 . 1 65 65 GLU N N 15 117.954 0.000 . 1 . . . . . 97 GLU N . 51812 4 124 . 1 . 1 66 66 LYS H H 1 8.009 0.000 . 1 . . . . . 98 LYS H . 51812 4 125 . 1 . 1 66 66 LYS N N 15 120.593 0.000 . 1 . . . . . 98 LYS N . 51812 4 126 . 1 . 1 67 67 LEU H H 1 6.775 0.000 . 1 . . . . . 99 LEU H . 51812 4 127 . 1 . 1 67 67 LEU N N 15 117.041 0.000 . 1 . . . . . 99 LEU N . 51812 4 128 . 1 . 1 68 68 GLY H H 1 7.138 0.000 . 1 . . . . . 100 GLY H . 51812 4 129 . 1 . 1 68 68 GLY N N 15 104.062 0.000 . 1 . . . . . 100 GLY N . 51812 4 130 . 1 . 1 69 69 ALA H H 1 8.187 0.000 . 1 . . . . . 101 ALA H . 51812 4 131 . 1 . 1 69 69 ALA N N 15 117.162 0.000 . 1 . . . . . 101 ALA N . 51812 4 132 . 1 . 1 70 70 TYR H H 1 8.338 0.000 . 1 . . . . . 102 TYR H . 51812 4 133 . 1 . 1 70 70 TYR N N 15 116.871 0.000 . 1 . . . . . 102 TYR N . 51812 4 134 . 1 . 1 71 71 GLU H H 1 9.159 0.000 . 1 . . . . . 103 GLU H . 51812 4 135 . 1 . 1 71 71 GLU N N 15 120.561 0.000 . 1 . . . . . 103 GLU N . 51812 4 136 . 1 . 1 72 72 LEU H H 1 8.050 0.000 . 1 . . . . . 104 LEU H . 51812 4 137 . 1 . 1 72 72 LEU N N 15 123.795 0.000 . 1 . . . . . 104 LEU N . 51812 4 138 . 1 . 1 73 73 VAL H H 1 8.050 0.000 . 1 . . . . . 105 VAL H . 51812 4 139 . 1 . 1 73 73 VAL N N 15 119.649 0.000 . 1 . . . . . 105 VAL N . 51812 4 140 . 1 . 1 74 74 THR H H 1 7.849 0.000 . 1 . . . . . 106 THR H . 51812 4 141 . 1 . 1 74 74 THR N N 15 114.489 0.000 . 1 . . . . . 106 THR N . 51812 4 142 . 1 . 1 75 75 GLY H H 1 8.578 0.000 . 1 . . . . . 107 GLY H . 51812 4 143 . 1 . 1 75 75 GLY N N 15 111.808 0.000 . 1 . . . . . 107 GLY N . 51812 4 144 . 1 . 1 76 76 ARG H H 1 8.382 0.000 . 1 . . . . . 108 ARG H . 51812 4 145 . 1 . 1 76 76 ARG N N 15 117.057 0.000 . 1 . . . . . 108 ARG N . 51812 4 146 . 1 . 1 77 77 ARG H H 1 7.439 0.000 . 1 . . . . . 109 ARG H . 51812 4 147 . 1 . 1 77 77 ARG N N 15 115.510 0.000 . 1 . . . . . 109 ARG N . 51812 4 148 . 1 . 1 78 78 LEU H H 1 8.695 0.000 . 1 . . . . . 110 LEU H . 51812 4 149 . 1 . 1 78 78 LEU N N 15 117.645 0.000 . 1 . . . . . 110 LEU N . 51812 4 150 . 1 . 1 79 79 TRP H H 1 7.705 0.000 . 1 . . . . . 111 TRP H . 51812 4 151 . 1 . 1 79 79 TRP HE1 H 1 9.805 0.000 . 1 . . . . . 111 TRP HE1 . 51812 4 152 . 1 . 1 79 79 TRP N N 15 120.554 0.000 . 1 . . . . . 111 TRP N . 51812 4 153 . 1 . 1 79 79 TRP NE1 N 15 128.377 0.000 . 1 . . . . . 111 TRP NE1 . 51812 4 154 . 1 . 1 80 80 LYS H H 1 8.965 0.000 . 1 . . . . . 112 LYS H . 51812 4 155 . 1 . 1 80 80 LYS N N 15 120.398 0.000 . 1 . . . . . 112 LYS N . 51812 4 156 . 1 . 1 81 81 ASN H H 1 7.575 0.000 . 1 . . . . . 113 ASN H . 51812 4 157 . 1 . 1 81 81 ASN HD21 H 1 7.539 0.000 . 1 . . . . . 113 ASN HD21 . 51812 4 158 . 1 . 1 81 81 ASN HD22 H 1 6.843 0.000 . 1 . . . . . 113 ASN HD22 . 51812 4 159 . 1 . 1 81 81 ASN N N 15 117.293 0.000 . 1 . . . . . 113 ASN N . 51812 4 160 . 1 . 1 81 81 ASN ND2 N 15 111.776 0.001 . 1 . . . . . 113 ASN ND2 . 51812 4 161 . 1 . 1 82 82 VAL H H 1 7.418 0.000 . 1 . . . . . 114 VAL H . 51812 4 162 . 1 . 1 82 82 VAL N N 15 119.883 0.000 . 1 . . . . . 114 VAL N . 51812 4 163 . 1 . 1 83 83 TYR H H 1 7.935 0.000 . 1 . . . . . 115 TYR H . 51812 4 164 . 1 . 1 83 83 TYR N N 15 119.957 0.000 . 1 . . . . . 115 TYR N . 51812 4 165 . 1 . 1 84 84 ASP H H 1 8.643 0.000 . 1 . . . . . 116 ASP H . 51812 4 166 . 1 . 1 84 84 ASP N N 15 119.941 0.000 . 1 . . . . . 116 ASP N . 51812 4 167 . 1 . 1 85 85 GLU H H 1 7.959 0.000 . 1 . . . . . 117 GLU H . 51812 4 168 . 1 . 1 85 85 GLU N N 15 122.197 0.000 . 1 . . . . . 117 GLU N . 51812 4 169 . 1 . 1 86 86 LEU H H 1 7.589 0.000 . 1 . . . . . 118 LEU H . 51812 4 170 . 1 . 1 86 86 LEU N N 15 117.367 0.000 . 1 . . . . . 118 LEU N . 51812 4 171 . 1 . 1 87 87 GLY H H 1 7.697 0.000 . 1 . . . . . 119 GLY H . 51812 4 172 . 1 . 1 87 87 GLY N N 15 106.266 0.000 . 1 . . . . . 119 GLY N . 51812 4 173 . 1 . 1 88 88 GLY H H 1 7.737 0.000 . 1 . . . . . 120 GLY H . 51812 4 174 . 1 . 1 88 88 GLY N N 15 107.298 0.000 . 1 . . . . . 120 GLY N . 51812 4 175 . 1 . 1 89 89 SER H H 1 8.112 0.000 . 1 . . . . . 121 SER H . 51812 4 176 . 1 . 1 89 89 SER N N 15 118.113 0.000 . 1 . . . . . 121 SER N . 51812 4 177 . 1 . 1 91 91 GLY H H 1 8.752 0.000 . 1 . . . . . 123 GLY H . 51812 4 178 . 1 . 1 91 91 GLY N N 15 109.128 0.000 . 1 . . . . . 123 GLY N . 51812 4 179 . 1 . 1 92 92 SER H H 1 7.782 0.000 . 1 . . . . . 124 SER H . 51812 4 180 . 1 . 1 92 92 SER N N 15 115.155 0.000 . 1 . . . . . 124 SER N . 51812 4 181 . 1 . 1 93 93 THR H H 1 8.007 0.000 . 1 . . . . . 125 THR H . 51812 4 182 . 1 . 1 93 93 THR N N 15 118.831 0.000 . 1 . . . . . 125 THR N . 51812 4 183 . 1 . 1 94 94 SER H H 1 7.550 0.000 . 1 . . . . . 126 SER H . 51812 4 184 . 1 . 1 94 94 SER N N 15 118.502 0.000 . 1 . . . . . 126 SER N . 51812 4 185 . 1 . 1 95 95 ALA H H 1 7.246 0.000 . 1 . . . . . 127 ALA H . 51812 4 186 . 1 . 1 95 95 ALA N N 15 124.723 0.000 . 1 . . . . . 127 ALA N . 51812 4 187 . 1 . 1 96 96 ALA H H 1 8.479 0.000 . 1 . . . . . 128 ALA H . 51812 4 188 . 1 . 1 96 96 ALA N N 15 121.811 0.000 . 1 . . . . . 128 ALA N . 51812 4 189 . 1 . 1 97 97 THR H H 1 7.789 0.000 . 1 . . . . . 129 THR H . 51812 4 190 . 1 . 1 97 97 THR N N 15 114.405 0.000 . 1 . . . . . 129 THR N . 51812 4 191 . 1 . 1 98 98 CYS H H 1 8.206 0.000 . 1 . . . . . 130 CYS H . 51812 4 192 . 1 . 1 98 98 CYS N N 15 119.681 0.000 . 1 . . . . . 130 CYS N . 51812 4 193 . 1 . 1 99 99 THR H H 1 7.790 0.000 . 1 . . . . . 131 THR H . 51812 4 194 . 1 . 1 99 99 THR N N 15 116.367 0.000 . 1 . . . . . 131 THR N . 51812 4 195 . 1 . 1 100 100 ARG H H 1 7.223 0.000 . 1 . . . . . 132 ARG H . 51812 4 196 . 1 . 1 100 100 ARG N N 15 121.129 0.000 . 1 . . . . . 132 ARG N . 51812 4 197 . 1 . 1 101 101 ARG H H 1 7.733 0.000 . 1 . . . . . 133 ARG H . 51812 4 198 . 1 . 1 101 101 ARG N N 15 117.070 0.000 . 1 . . . . . 133 ARG N . 51812 4 199 . 1 . 1 102 102 HIS H H 1 8.418 0.000 . 1 . . . . . 134 HIS H . 51812 4 200 . 1 . 1 102 102 HIS N N 15 120.114 0.000 . 1 . . . . . 134 HIS N . 51812 4 201 . 1 . 1 103 103 TYR H H 1 8.317 0.000 . 1 . . . . . 135 TYR H . 51812 4 202 . 1 . 1 103 103 TYR N N 15 119.580 0.000 . 1 . . . . . 135 TYR N . 51812 4 203 . 1 . 1 104 104 GLU H H 1 9.049 0.000 . 1 . . . . . 136 GLU H . 51812 4 204 . 1 . 1 104 104 GLU N N 15 119.992 0.000 . 1 . . . . . 136 GLU N . 51812 4 205 . 1 . 1 105 105 ARG H H 1 7.758 0.000 . 1 . . . . . 137 ARG H . 51812 4 206 . 1 . 1 105 105 ARG N N 15 115.104 0.000 . 1 . . . . . 137 ARG N . 51812 4 207 . 1 . 1 106 106 LEU H H 1 7.987 0.000 . 1 . . . . . 138 LEU H . 51812 4 208 . 1 . 1 106 106 LEU N N 15 113.249 0.000 . 1 . . . . . 138 LEU N . 51812 4 209 . 1 . 1 107 107 VAL H H 1 7.700 0.000 . 1 . . . . . 139 VAL H . 51812 4 210 . 1 . 1 107 107 VAL N N 15 114.960 0.000 . 1 . . . . . 139 VAL N . 51812 4 211 . 1 . 1 108 108 LEU H H 1 7.627 0.000 . 1 . . . . . 140 LEU H . 51812 4 212 . 1 . 1 108 108 LEU N N 15 119.155 0.000 . 1 . . . . . 140 LEU N . 51812 4 213 . 1 . 1 110 110 TYR H H 1 7.878 0.000 . 1 . . . . . 142 TYR H . 51812 4 214 . 1 . 1 110 110 TYR N N 15 118.336 0.000 . 1 . . . . . 142 TYR N . 51812 4 215 . 1 . 1 111 111 VAL H H 1 7.886 0.000 . 1 . . . . . 143 VAL H . 51812 4 216 . 1 . 1 111 111 VAL N N 15 120.581 0.000 . 1 . . . . . 143 VAL N . 51812 4 217 . 1 . 1 112 112 ARG H H 1 8.662 0.000 . 1 . . . . . 144 ARG H . 51812 4 218 . 1 . 1 112 112 ARG N N 15 117.862 0.000 . 1 . . . . . 144 ARG N . 51812 4 219 . 1 . 1 113 113 HIS H H 1 7.305 0.000 . 1 . . . . . 145 HIS H . 51812 4 220 . 1 . 1 113 113 HIS N N 15 118.981 0.000 . 1 . . . . . 145 HIS N . 51812 4 221 . 1 . 1 114 114 LEU H H 1 8.316 0.000 . 1 . . . . . 146 LEU H . 51812 4 222 . 1 . 1 114 114 LEU N N 15 122.273 0.000 . 1 . . . . . 146 LEU N . 51812 4 223 . 1 . 1 115 115 LYS H H 1 7.680 0.000 . 1 . . . . . 147 LYS H . 51812 4 224 . 1 . 1 115 115 LYS N N 15 115.894 0.000 . 1 . . . . . 147 LYS N . 51812 4 225 . 1 . 1 116 116 GLY H H 1 7.640 0.000 . 1 . . . . . 148 GLY H . 51812 4 226 . 1 . 1 116 116 GLY N N 15 108.351 0.000 . 1 . . . . . 148 GLY N . 51812 4 227 . 1 . 1 117 117 GLU H H 1 8.169 0.000 . 1 . . . . . 149 GLU H . 51812 4 228 . 1 . 1 117 117 GLU N N 15 119.360 0.000 . 1 . . . . . 149 GLU N . 51812 4 229 . 1 . 1 118 118 ASP H H 1 8.283 0.000 . 1 . . . . . 150 ASP H . 51812 4 230 . 1 . 1 118 118 ASP N N 15 119.784 0.000 . 1 . . . . . 150 ASP N . 51812 4 231 . 1 . 1 119 119 ASP H H 1 8.243 0.000 . 1 . . . . . 151 ASP H . 51812 4 232 . 1 . 1 119 119 ASP N N 15 119.440 0.000 . 1 . . . . . 151 ASP N . 51812 4 233 . 1 . 1 120 120 LYS H H 1 7.874 0.000 . 1 . . . . . 152 LYS H . 51812 4 234 . 1 . 1 120 120 LYS N N 15 122.236 0.000 . 1 . . . . . 152 LYS N . 51812 4 235 . 1 . 1 122 122 LEU H H 1 8.381 0.000 . 1 . . . . . 154 LEU H . 51812 4 236 . 1 . 1 122 122 LEU N N 15 123.996 0.000 . 1 . . . . . 154 LEU N . 51812 4 237 . 1 . 1 124 124 THR H H 1 8.273 0.000 . 1 . . . . . 156 THR H . 51812 4 238 . 1 . 1 124 124 THR N N 15 122.981 0.000 . 1 . . . . . 156 THR N . 51812 4 239 . 1 . 1 125 125 SER H H 1 8.175 0.000 . 1 . . . . . 157 SER H . 51812 4 240 . 1 . 1 125 125 SER N N 15 118.201 0.000 . 1 . . . . . 157 SER N . 51812 4 241 . 1 . 1 126 126 LYS H H 1 8.236 0.000 . 1 . . . . . 158 LYS H . 51812 4 242 . 1 . 1 126 126 LYS N N 15 124.256 0.000 . 1 . . . . . 158 LYS N . 51812 4 243 . 1 . 1 128 128 ARG H H 1 8.277 0.000 . 1 . . . . . 160 ARG H . 51812 4 244 . 1 . 1 128 128 ARG N N 15 122.908 0.000 . 1 . . . . . 160 ARG N . 51812 4 245 . 1 . 1 129 129 LYS H H 1 8.454 0.000 . 1 . . . . . 161 LYS H . 51812 4 246 . 1 . 1 129 129 LYS N N 15 124.634 0.000 . 1 . . . . . 161 LYS N . 51812 4 247 . 1 . 1 130 130 GLN H H 1 8.177 0.000 . 1 . . . . . 162 GLN H . 51812 4 248 . 1 . 1 130 130 GLN HE21 H 1 7.451 0.000 . 1 . . . . . 162 GLN HE21 . 51812 4 249 . 1 . 1 130 130 GLN HE22 H 1 6.804 0.000 . 1 . . . . . 162 GLN HE22 . 51812 4 250 . 1 . 1 130 130 GLN N N 15 123.331 0.000 . 1 . . . . . 162 GLN N . 51812 4 251 . 1 . 1 130 130 GLN NE2 N 15 112.383 0.005 . 1 . . . . . 162 GLN NE2 . 51812 4 252 . 1 . 1 131 131 TYR H H 1 8.227 0.000 . 1 . . . . . 163 TYR H . 51812 4 253 . 1 . 1 131 131 TYR N N 15 122.832 0.000 . 1 . . . . . 163 TYR N . 51812 4 254 . 1 . 1 132 132 LYS H H 1 8.394 0.000 . 1 . . . . . 164 LYS H . 51812 4 255 . 1 . 1 132 132 LYS N N 15 121.973 0.000 . 1 . . . . . 164 LYS N . 51812 4 256 . 1 . 1 133 133 MET H H 1 8.382 0.000 . 1 . . . . . 165 MET H . 51812 4 257 . 1 . 1 133 133 MET N N 15 122.170 0.000 . 1 . . . . . 165 MET N . 51812 4 258 . 1 . 1 134 134 ALA H H 1 8.249 0.000 . 1 . . . . . 166 ALA H . 51812 4 259 . 1 . 1 134 134 ALA N N 15 125.778 0.000 . 1 . . . . . 166 ALA N . 51812 4 260 . 1 . 1 135 135 LYS H H 1 8.234 0.000 . 1 . . . . . 167 LYS H . 51812 4 261 . 1 . 1 135 135 LYS N N 15 120.727 0.000 . 1 . . . . . 167 LYS N . 51812 4 262 . 1 . 1 136 136 GLU H H 1 8.296 0.000 . 1 . . . . . 168 GLU H . 51812 4 263 . 1 . 1 136 136 GLU N N 15 121.701 0.000 . 1 . . . . . 168 GLU N . 51812 4 264 . 1 . 1 137 137 ASN H H 1 8.198 0.000 . 1 . . . . . 169 ASN H . 51812 4 265 . 1 . 1 137 137 ASN HD21 H 1 7.553 0.000 . 1 . . . . . 169 ASN HD21 . 51812 4 266 . 1 . 1 137 137 ASN HD22 H 1 6.859 0.000 . 1 . . . . . 169 ASN HD22 . 51812 4 267 . 1 . 1 137 137 ASN N N 15 122.181 0.000 . 1 . . . . . 169 ASN N . 51812 4 268 . 1 . 1 137 137 ASN ND2 N 15 113.019 0.001 . 1 . . . . . 169 ASN ND2 . 51812 4 269 . 1 . 1 138 138 ARG H H 1 8.346 0.000 . 1 . . . . . 170 ARG H . 51812 4 270 . 1 . 1 138 138 ARG N N 15 121.889 0.000 . 1 . . . . . 170 ARG N . 51812 4 271 . 1 . 1 139 139 GLY H H 1 8.373 0.000 . 1 . . . . . 171 GLY H . 51812 4 272 . 1 . 1 139 139 GLY N N 15 109.642 0.000 . 1 . . . . . 171 GLY N . 51812 4 273 . 1 . 1 140 140 ASP H H 1 8.199 0.000 . 1 . . . . . 172 ASP H . 51812 4 274 . 1 . 1 140 140 ASP N N 15 120.482 0.000 . 1 . . . . . 172 ASP N . 51812 4 275 . 1 . 1 141 141 ASP H H 1 8.311 0.000 . 1 . . . . . 173 ASP H . 51812 4 276 . 1 . 1 141 141 ASP N N 15 120.985 0.000 . 1 . . . . . 173 ASP N . 51812 4 277 . 1 . 1 142 142 GLY H H 1 8.376 0.000 . 1 . . . . . 174 GLY H . 51812 4 278 . 1 . 1 142 142 GLY N N 15 109.133 0.000 . 1 . . . . . 174 GLY N . 51812 4 279 . 1 . 1 143 143 ALA H H 1 8.031 0.000 . 1 . . . . . 175 ALA H . 51812 4 280 . 1 . 1 143 143 ALA N N 15 123.578 0.000 . 1 . . . . . 175 ALA N . 51812 4 281 . 1 . 1 144 144 THR H H 1 8.031 0.000 . 1 . . . . . 176 THR H . 51812 4 282 . 1 . 1 144 144 THR N N 15 113.122 0.000 . 1 . . . . . 176 THR N . 51812 4 283 . 1 . 1 145 145 GLU H H 1 8.274 0.000 . 1 . . . . . 177 GLU H . 51812 4 284 . 1 . 1 145 145 GLU N N 15 123.345 0.000 . 1 . . . . . 177 GLU N . 51812 4 285 . 1 . 1 146 146 ARG H H 1 8.281 0.000 . 1 . . . . . 178 ARG H . 51812 4 286 . 1 . 1 146 146 ARG N N 15 123.626 0.000 . 1 . . . . . 178 ARG N . 51812 4 287 . 1 . 1 148 148 LYS H H 1 8.398 0.000 . 1 . . . . . 180 LYS H . 51812 4 288 . 1 . 1 148 148 LYS N N 15 121.681 0.000 . 1 . . . . . 180 LYS N . 51812 4 289 . 1 . 1 149 149 LYS H H 1 8.398 0.000 . 1 . . . . . 181 LYS H . 51812 4 290 . 1 . 1 149 149 LYS N N 15 121.639 0.000 . 1 . . . . . 181 LYS N . 51812 4 291 . 1 . 1 150 150 ALA H H 1 8.300 0.000 . 1 . . . . . 182 ALA H . 51812 4 292 . 1 . 1 150 150 ALA N N 15 126.694 0.000 . 1 . . . . . 182 ALA N . 51812 4 293 . 1 . 1 151 151 LYS H H 1 7.812 0.000 . 1 . . . . . 183 LYS H . 51812 4 294 . 1 . 1 151 151 LYS N N 15 125.499 0.000 . 1 . . . . . 183 LYS N . 51812 4 stop_ save_