################################### # 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 53002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ZLBT-C Assignments' _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 HNCACB' . . . 53002 1 2 '3D CBCA(CO)NH' . . . 53002 1 3 '2D 1H-15N HSQC' . . . 53002 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53002 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 1 1 VAL H H 1 8.13 0.02 . 1 . . . . . 1 VAL H . 53002 1 2 . 1 . 1 1 1 VAL HA H 1 3.94 0.02 . 1 . . . . . 1 VAL HA . 53002 1 3 . 1 . 1 1 1 VAL CA C 13 62.4 0.3 . 1 . . . . . 1 VAL CA . 53002 1 4 . 1 . 1 1 1 VAL CB C 13 32.4 0.3 . 1 . . . . . 1 VAL CB . 53002 1 5 . 1 . 1 1 1 VAL N N 15 124.6 0.3 . 1 . . . . . 1 VAL N . 53002 1 6 . 1 . 1 2 2 ASP H H 1 8.26 0.02 . 1 . . . . . 2 ASP H . 53002 1 7 . 1 . 1 2 2 ASP HA H 1 3.94 0.02 . 1 . . . . . 2 ASP HA . 53002 1 8 . 1 . 1 2 2 ASP CA C 13 53.9 0.3 . 1 . . . . . 2 ASP CA . 53002 1 9 . 1 . 1 2 2 ASP CB C 13 41.1 0.3 . 1 . . . . . 2 ASP CB . 53002 1 10 . 1 . 1 2 2 ASP N N 15 122.6 0.3 . 1 . . . . . 2 ASP N . 53002 1 11 . 1 . 1 3 3 ASN H H 1 8.49 0.02 . 1 . . . . . 3 ASN H . 53002 1 12 . 1 . 1 3 3 ASN HA H 1 4.64 0.02 . 1 . . . . . 3 ASN HA . 53002 1 13 . 1 . 1 3 3 ASN HB2 H 1 2.56 0.02 . 1 . . . . . 3 ASN HB2 . 53002 1 14 . 1 . 1 3 3 ASN CA C 13 53.2 0.3 . 1 . . . . . 3 ASN CA . 53002 1 15 . 1 . 1 3 3 ASN CB C 13 38.8 0.3 . 1 . . . . . 3 ASN CB . 53002 1 16 . 1 . 1 3 3 ASN N N 15 120.3 0.3 . 1 . . . . . 3 ASN N . 53002 1 17 . 1 . 1 4 4 LYS H H 1 8.31 0.02 . 1 . . . . . 4 LYS H . 53002 1 18 . 1 . 1 4 4 LYS HA H 1 4.59 0.02 . 1 . . . . . 4 LYS HA . 53002 1 19 . 1 . 1 4 4 LYS CA C 13 56.5 0.3 . 1 . . . . . 4 LYS CA . 53002 1 20 . 1 . 1 4 4 LYS CB C 13 32.4 0.3 . 1 . . . . . 4 LYS CB . 53002 1 21 . 1 . 1 4 4 LYS N N 15 121.2 0.3 . 1 . . . . . 4 LYS N . 53002 1 22 . 1 . 1 5 5 PHE H H 1 8.13 0.02 . 1 . . . . . 5 PHE H . 53002 1 23 . 1 . 1 5 5 PHE HA H 1 4.17 0.02 . 1 . . . . . 5 PHE HA . 53002 1 24 . 1 . 1 5 5 PHE N N 15 120.5 0.3 . 1 . . . . . 5 PHE N . 53002 1 25 . 1 . 1 10 10 GLN H H 1 8.55 0.02 . 1 . . . . . 10 GLN H . 53002 1 26 . 1 . 1 10 10 GLN HA H 1 3.92 0.02 . 1 . . . . . 10 GLN HA . 53002 1 27 . 1 . 1 10 10 GLN N N 15 118.8 0.3 . 1 . . . . . 10 GLN N . 53002 1 28 . 1 . 1 18 18 HIS H H 1 7.19 0.02 . 1 . . . . . 18 HIS H . 53002 1 29 . 1 . 1 18 18 HIS CA C 13 55.8 0.3 . 1 . . . . . 18 HIS CA . 53002 1 30 . 1 . 1 18 18 HIS CB C 13 29.4 0.3 . 1 . . . . . 18 HIS CB . 53002 1 31 . 1 . 1 18 18 HIS N N 15 112.2 0.3 . 1 . . . . . 18 HIS N . 53002 1 32 . 1 . 1 19 19 LEU H H 1 7.21 0.02 . 1 . . . . . 19 LEU H . 53002 1 33 . 1 . 1 19 19 LEU HA H 1 4.42 0.02 . 1 . . . . . 19 LEU HA . 53002 1 34 . 1 . 1 19 19 LEU N N 15 123.9 0.3 . 1 . . . . . 19 LEU N . 53002 1 35 . 1 . 1 21 21 ASN H H 1 8.87 0.02 . 1 . . . . . 21 ASN H . 53002 1 36 . 1 . 1 21 21 ASN HA H 1 4.36 0.02 . 1 . . . . . 21 ASN HA . 53002 1 37 . 1 . 1 21 21 ASN CA C 13 52.7 0.3 . 1 . . . . . 21 ASN CA . 53002 1 38 . 1 . 1 21 21 ASN CB C 13 38.6 0.3 . 1 . . . . . 21 ASN CB . 53002 1 39 . 1 . 1 21 21 ASN N N 15 113.9 0.3 . 1 . . . . . 21 ASN N . 53002 1 40 . 1 . 1 22 22 LEU H H 1 6.60 0.02 . 1 . . . . . 22 LEU H . 53002 1 41 . 1 . 1 22 22 LEU CA C 13 54.3 0.3 . 1 . . . . . 22 LEU CA . 53002 1 42 . 1 . 1 22 22 LEU N N 15 117.8 0.3 . 1 . . . . . 22 LEU N . 53002 1 43 . 1 . 1 23 23 ASN H H 1 8.55 0.02 . 1 . . . . . 23 ASN H . 53002 1 44 . 1 . 1 23 23 ASN HA H 1 4.42 0.02 . 1 . . . . . 23 ASN HA . 53002 1 45 . 1 . 1 23 23 ASN CA C 13 51.2 0.3 . 1 . . . . . 23 ASN CA . 53002 1 46 . 1 . 1 23 23 ASN CB C 13 38.6 0.3 . 1 . . . . . 23 ASN CB . 53002 1 47 . 1 . 1 23 23 ASN N N 15 119.4 0.3 . 1 . . . . . 23 ASN N . 53002 1 48 . 1 . 1 24 24 GLU H H 1 8.63 0.02 . 1 . . . . . 24 GLU H . 53002 1 49 . 1 . 1 24 24 GLU HA H 1 4.89 0.02 . 1 . . . . . 24 GLU HA . 53002 1 50 . 1 . 1 24 24 GLU CA C 13 59.9 0.3 . 1 . . . . . 24 GLU CA . 53002 1 51 . 1 . 1 24 24 GLU CB C 13 29.4 0.3 . 1 . . . . . 24 GLU CB . 53002 1 52 . 1 . 1 24 24 GLU N N 15 118.6 0.3 . 1 . . . . . 24 GLU N . 53002 1 53 . 1 . 1 25 25 GLU H H 1 8.28 0.02 . 1 . . . . . 25 GLU H . 53002 1 54 . 1 . 1 25 25 GLU HA H 1 3.94 0.02 . 1 . . . . . 25 GLU HA . 53002 1 55 . 1 . 1 25 25 GLU CA C 13 59.8 0.3 . 1 . . . . . 25 GLU CA . 53002 1 56 . 1 . 1 25 25 GLU N N 15 119.7 0.3 . 1 . . . . . 25 GLU N . 53002 1 57 . 1 . 1 26 26 GLN H H 1 8.54 0.02 . 1 . . . . . 26 GLN H . 53002 1 58 . 1 . 1 26 26 GLN HA H 1 4.05 0.02 . 1 . . . . . 26 GLN HA . 53002 1 59 . 1 . 1 26 26 GLN CA C 13 58.0 0.3 . 1 . . . . . 26 GLN CA . 53002 1 60 . 1 . 1 26 26 GLN N N 15 120.0 0.3 . 1 . . . . . 26 GLN N . 53002 1 61 . 1 . 1 27 27 ARG H H 1 8.60 0.02 . 1 . . . . . 27 ARG H . 53002 1 62 . 1 . 1 27 27 ARG HA H 1 3.92 0.02 . 1 . . . . . 27 ARG HA . 53002 1 63 . 1 . 1 27 27 ARG CA C 13 60.6 0.3 . 1 . . . . . 27 ARG CA . 53002 1 64 . 1 . 1 27 27 ARG CB C 13 30.4 0.3 . 1 . . . . . 27 ARG CB . 53002 1 65 . 1 . 1 27 27 ARG N N 15 118.8 0.3 . 1 . . . . . 27 ARG N . 53002 1 66 . 1 . 1 28 28 ASN H H 1 8.43 0.02 . 1 . . . . . 28 ASN H . 53002 1 67 . 1 . 1 28 28 ASN HA H 1 3.80 0.02 . 1 . . . . . 28 ASN HA . 53002 1 68 . 1 . 1 28 28 ASN CA C 13 56.0 0.3 . 1 . . . . . 28 ASN CA . 53002 1 69 . 1 . 1 28 28 ASN CB C 13 37.8 0.3 . 1 . . . . . 28 ASN CB . 53002 1 70 . 1 . 1 28 28 ASN N N 15 115.5 0.3 . 1 . . . . . 28 ASN N . 53002 1 71 . 1 . 1 29 29 ALA H H 1 7.93 0.02 . 1 . . . . . 29 ALA H . 53002 1 72 . 1 . 1 29 29 ALA HA H 1 4.60 0.02 . 1 . . . . . 29 ALA HA . 53002 1 73 . 1 . 1 29 29 ALA CA C 13 55.4 0.3 . 1 . . . . . 29 ALA CA . 53002 1 74 . 1 . 1 29 29 ALA CB C 13 18.3 0.3 . 1 . . . . . 29 ALA CB . 53002 1 75 . 1 . 1 29 29 ALA N N 15 122.7 0.3 . 1 . . . . . 29 ALA N . 53002 1 76 . 1 . 1 30 30 PHE H H 1 8.00 0.02 . 1 . . . . . 30 PHE H . 53002 1 77 . 1 . 1 30 30 PHE HA H 1 4.12 0.02 . 1 . . . . . 30 PHE HA . 53002 1 78 . 1 . 1 30 30 PHE CA C 13 61.9 0.3 . 1 . . . . . 30 PHE CA . 53002 1 79 . 1 . 1 30 30 PHE CB C 13 39.3 0.3 . 1 . . . . . 30 PHE CB . 53002 1 80 . 1 . 1 30 30 PHE N N 15 117.3 0.3 . 1 . . . . . 30 PHE N . 53002 1 81 . 1 . 1 31 31 ILE H H 1 8.35 0.02 . 1 . . . . . 31 ILE H . 53002 1 82 . 1 . 1 31 31 ILE HA H 1 4.40 0.02 . 1 . . . . . 31 ILE HA . 53002 1 83 . 1 . 1 31 31 ILE CA C 13 64.8 0.3 . 1 . . . . . 31 ILE CA . 53002 1 84 . 1 . 1 31 31 ILE CB C 13 37.0 0.3 . 1 . . . . . 31 ILE CB . 53002 1 85 . 1 . 1 31 31 ILE N N 15 119.1 0.3 . 1 . . . . . 31 ILE N . 53002 1 86 . 1 . 1 58 58 ALA H H 1 7.84 0.02 . 1 . . . . . 58 ALA H . 53002 1 87 . 1 . 1 58 58 ALA HA H 1 3.79 0.02 . 1 . . . . . 58 ALA HA . 53002 1 88 . 1 . 1 58 58 ALA HB1 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 89 . 1 . 1 58 58 ALA HB2 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 90 . 1 . 1 58 58 ALA HB3 H 1 1.74 0.02 . 1 . . . . . 58 ALA HB . 53002 1 91 . 1 . 1 58 58 ALA CA C 13 55.0 0.3 . 1 . . . . . 58 ALA CA . 53002 1 92 . 1 . 1 58 58 ALA CB C 13 17.9 0.3 . 1 . . . . . 58 ALA CB . 53002 1 93 . 1 . 1 58 58 ALA N N 15 120.4 0.3 . 1 . . . . . 58 ALA N . 53002 1 94 . 1 . 1 60 60 ALA H H 1 8.14 0.02 . 1 . . . . . 60 ALA H . 53002 1 95 . 1 . 1 60 60 ALA HA H 1 4.05 0.02 . 1 . . . . . 60 ALA HA . 53002 1 96 . 1 . 1 60 60 ALA CA C 13 55.2 0.3 . 1 . . . . . 60 ALA CA . 53002 1 97 . 1 . 1 60 60 ALA CB C 13 17.0 0.3 . 1 . . . . . 60 ALA CB . 53002 1 98 . 1 . 1 60 60 ALA N N 15 123.7 0.3 . 1 . . . . . 60 ALA N . 53002 1 99 . 1 . 1 61 61 LYS H H 1 8.43 0.02 . 1 . . . . . 61 LYS H . 53002 1 100 . 1 . 1 61 61 LYS HA H 1 3.51 0.02 . 1 . . . . . 61 LYS HA . 53002 1 101 . 1 . 1 61 61 LYS CA C 13 60.0 0.3 . 1 . . . . . 61 LYS CA . 53002 1 102 . 1 . 1 61 61 LYS CB C 13 32.1 0.3 . 1 . . . . . 61 LYS CB . 53002 1 103 . 1 . 1 61 61 LYS N N 15 118.3 0.3 . 1 . . . . . 61 LYS N . 53002 1 104 . 1 . 1 63 63 LEU H H 1 7.84 0.02 . 1 . . . . . 63 LEU H . 53002 1 105 . 1 . 1 63 63 LEU HA H 1 4.10 0.02 . 1 . . . . . 63 LEU HA . 53002 1 106 . 1 . 1 63 63 LEU CA C 13 57.6 0.3 . 1 . . . . . 63 LEU CA . 53002 1 107 . 1 . 1 63 63 LEU CB C 13 41.8 0.3 . 1 . . . . . 63 LEU CB . 53002 1 108 . 1 . 1 63 63 LEU N N 15 122.0 0.3 . 1 . . . . . 63 LEU N . 53002 1 109 . 1 . 1 64 64 ASN H H 1 8.45 0.02 . 1 . . . . . 64 ASN H . 53002 1 110 . 1 . 1 64 64 ASN HA H 1 4.18 0.02 . 1 . . . . . 64 ASN HA . 53002 1 111 . 1 . 1 64 64 ASN CA C 13 57.7 0.3 . 1 . . . . . 64 ASN CA . 53002 1 112 . 1 . 1 64 64 ASN N N 15 116.9 0.3 . 1 . . . . . 64 ASN N . 53002 1 113 . 1 . 1 65 65 ASP H H 1 8.21 0.02 . 1 . . . . . 65 ASP H . 53002 1 114 . 1 . 1 65 65 ASP HA H 1 3.98 0.02 . 1 . . . . . 65 ASP HA . 53002 1 115 . 1 . 1 65 65 ASP CA C 13 56.9 0.3 . 1 . . . . . 65 ASP CA . 53002 1 116 . 1 . 1 65 65 ASP CB C 13 40.0 0.3 . 1 . . . . . 65 ASP CB . 53002 1 117 . 1 . 1 65 65 ASP N N 15 118.8 0.3 . 1 . . . . . 65 ASP N . 53002 1 118 . 1 . 1 66 66 ALA H H 1 8.05 0.02 . 1 . . . . . 66 ALA H . 53002 1 119 . 1 . 1 66 66 ALA HA H 1 4.46 0.02 . 1 . . . . . 66 ALA HA . 53002 1 120 . 1 . 1 66 66 ALA CA C 13 54.2 0.3 . 1 . . . . . 66 ALA CA . 53002 1 121 . 1 . 1 66 66 ALA CB C 13 18.5 0.3 . 1 . . . . . 66 ALA CB . 53002 1 122 . 1 . 1 66 66 ALA N N 15 123.1 0.3 . 1 . . . . . 66 ALA N . 53002 1 123 . 1 . 1 67 67 GLN H H 1 7.52 0.02 . 1 . . . . . 67 GLN H . 53002 1 124 . 1 . 1 67 67 GLN HA H 1 4.25 0.02 . 1 . . . . . 67 GLN HA . 53002 1 125 . 1 . 1 67 67 GLN CA C 13 54.9 0.3 . 1 . . . . . 67 GLN CA . 53002 1 126 . 1 . 1 67 67 GLN CB C 13 28.3 0.3 . 1 . . . . . 67 GLN CB . 53002 1 127 . 1 . 1 67 67 GLN N N 15 115.1 0.3 . 1 . . . . . 67 GLN N . 53002 1 128 . 1 . 1 68 68 ALA H H 1 7.21 0.02 . 1 . . . . . 68 ALA H . 53002 1 129 . 1 . 1 68 68 ALA HA H 1 4.37 0.02 . 1 . . . . . 68 ALA HA . 53002 1 130 . 1 . 1 68 68 ALA CA C 13 51.0 0.3 . 1 . . . . . 68 ALA CA . 53002 1 131 . 1 . 1 68 68 ALA CB C 13 17.9 0.3 . 1 . . . . . 68 ALA CB . 53002 1 132 . 1 . 1 68 68 ALA N N 15 124.5 0.3 . 1 . . . . . 68 ALA N . 53002 1 133 . 1 . 1 70 70 LYS H H 1 8.46 0.02 . 1 . . . . . 70 LYS H . 53002 1 134 . 1 . 1 70 70 LYS HA H 1 4.42 0.02 . 1 . . . . . 70 LYS HA . 53002 1 135 . 1 . 1 70 70 LYS HB2 H 1 1.91 0.02 . 1 . . . . . 70 LYS HB2 . 53002 1 136 . 1 . 1 70 70 LYS CA C 13 55.6 0.3 . 1 . . . . . 70 LYS CA . 53002 1 137 . 1 . 1 70 70 LYS CB C 13 33.3 0.3 . 1 . . . . . 70 LYS CB . 53002 1 138 . 1 . 1 70 70 LYS N N 15 122.0 0.3 . 1 . . . . . 70 LYS N . 53002 1 139 . 1 . 1 71 71 ALA H H 1 8.36 0.02 . 1 . . . . . 71 ALA H . 53002 1 140 . 1 . 1 71 71 ALA HA H 1 4.35 0.02 . 1 . . . . . 71 ALA HA . 53002 1 141 . 1 . 1 71 71 ALA HB1 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 142 . 1 . 1 71 71 ALA HB2 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 143 . 1 . 1 71 71 ALA HB3 H 1 1.80 0.02 . 1 . . . . . 71 ALA HB . 53002 1 144 . 1 . 1 71 71 ALA CA C 13 52.3 0.3 . 1 . . . . . 71 ALA CA . 53002 1 145 . 1 . 1 71 71 ALA CB C 13 19.2 0.3 . 1 . . . . . 71 ALA CB . 53002 1 146 . 1 . 1 71 71 ALA N N 15 125.2 0.3 . 1 . . . . . 71 ALA N . 53002 1 147 . 1 . 1 72 72 ASP H H 1 8.08 0.02 . 1 . . . . . 72 ASP H . 53002 1 148 . 1 . 1 72 72 ASP HA H 1 4.12 0.02 . 1 . . . . . 72 ASP HA . 53002 1 149 . 1 . 1 72 72 ASP CA C 13 54.0 0.3 . 1 . . . . . 72 ASP CA . 53002 1 150 . 1 . 1 72 72 ASP CB C 13 41.3 0.3 . 1 . . . . . 72 ASP CB . 53002 1 151 . 1 . 1 72 72 ASP N N 15 119.8 0.3 . 1 . . . . . 72 ASP N . 53002 1 152 . 1 . 1 73 73 ASN H H 1 8.29 0.02 . 1 . . . . . 73 ASN H . 53002 1 153 . 1 . 1 73 73 ASN HA H 1 4.45 0.02 . 1 . . . . . 73 ASN HA . 53002 1 154 . 1 . 1 73 73 ASN CA C 13 53.6 0.3 . 1 . . . . . 73 ASN CA . 53002 1 155 . 1 . 1 73 73 ASN CB C 13 38.7 0.3 . 1 . . . . . 73 ASN CB . 53002 1 156 . 1 . 1 73 73 ASN N N 15 119.8 0.3 . 1 . . . . . 73 ASN N . 53002 1 157 . 1 . 1 74 74 LYS H H 1 8.32 0.02 . 1 . . . . . 74 LYS H . 53002 1 158 . 1 . 1 74 74 LYS HA H 1 4.56 0.02 . 1 . . . . . 74 LYS HA . 53002 1 159 . 1 . 1 74 74 LYS CA C 13 56.5 0.3 . 1 . . . . . 74 LYS CA . 53002 1 160 . 1 . 1 74 74 LYS CB C 13 32.3 0.3 . 1 . . . . . 74 LYS CB . 53002 1 161 . 1 . 1 74 74 LYS N N 15 120.6 0.3 . 1 . . . . . 74 LYS N . 53002 1 162 . 1 . 1 75 75 PHE H H 1 8.05 0.02 . 1 . . . . . 75 PHE H . 53002 1 163 . 1 . 1 75 75 PHE HA H 1 4.17 0.02 . 1 . . . . . 75 PHE HA . 53002 1 164 . 1 . 1 75 75 PHE CA C 13 55.7 0.3 . 1 . . . . . 75 PHE CA . 53002 1 165 . 1 . 1 75 75 PHE CB C 13 39.6 0.3 . 1 . . . . . 75 PHE CB . 53002 1 166 . 1 . 1 75 75 PHE N N 15 119.6 0.3 . 1 . . . . . 75 PHE N . 53002 1 167 . 1 . 1 76 76 ASN H H 1 8.52 0.02 . 1 . . . . . 76 ASN H . 53002 1 168 . 1 . 1 76 76 ASN HA H 1 4.96 0.02 . 1 . . . . . 76 ASN HA . 53002 1 169 . 1 . 1 76 76 ASN HB2 H 1 3.07 0.02 . 1 . . . . . 76 ASN HB2 . 53002 1 170 . 1 . 1 76 76 ASN CA C 13 52.2 0.3 . 1 . . . . . 76 ASN CA . 53002 1 171 . 1 . 1 76 76 ASN CB C 13 38.2 0.3 . 1 . . . . . 76 ASN CB . 53002 1 172 . 1 . 1 76 76 ASN N N 15 121.0 0.3 . 1 . . . . . 76 ASN N . 53002 1 173 . 1 . 1 77 77 LYS H H 1 8.39 0.02 . 1 . . . . . 77 LYS H . 53002 1 174 . 1 . 1 77 77 LYS HA H 1 4.72 0.02 . 1 . . . . . 77 LYS HA . 53002 1 175 . 1 . 1 77 77 LYS CA C 13 59.7 0.3 . 1 . . . . . 77 LYS CA . 53002 1 176 . 1 . 1 77 77 LYS CB C 13 32.1 0.3 . 1 . . . . . 77 LYS CB . 53002 1 177 . 1 . 1 77 77 LYS N N 15 119.6 0.3 . 1 . . . . . 77 LYS N . 53002 1 178 . 1 . 1 78 78 GLU H H 1 8.26 0.02 . 1 . . . . . 78 GLU H . 53002 1 179 . 1 . 1 78 78 GLU HA H 1 3.98 0.02 . 1 . . . . . 78 GLU HA . 53002 1 180 . 1 . 1 78 78 GLU CA C 13 59.7 0.3 . 1 . . . . . 78 GLU CA . 53002 1 181 . 1 . 1 78 78 GLU CB C 13 29.0 0.3 . 1 . . . . . 78 GLU CB . 53002 1 182 . 1 . 1 78 78 GLU N N 15 119.7 0.3 . 1 . . . . . 78 GLU N . 53002 1 183 . 1 . 1 79 79 GLN H H 1 8.55 0.02 . 1 . . . . . 79 GLN H . 53002 1 184 . 1 . 1 79 79 GLN HA H 1 4.10 0.02 . 1 . . . . . 79 GLN HA . 53002 1 185 . 1 . 1 79 79 GLN CA C 13 58.8 0.3 . 1 . . . . . 79 GLN CA . 53002 1 186 . 1 . 1 79 79 GLN CB C 13 27.7 0.3 . 1 . . . . . 79 GLN CB . 53002 1 187 . 1 . 1 79 79 GLN N N 15 121.4 0.3 . 1 . . . . . 79 GLN N . 53002 1 188 . 1 . 1 80 80 GLN H H 1 8.64 0.02 . 1 . . . . . 80 GLN H . 53002 1 189 . 1 . 1 80 80 GLN HA H 1 3.86 0.02 . 1 . . . . . 80 GLN HA . 53002 1 190 . 1 . 1 80 80 GLN HB2 H 1 1.64 0.02 . 1 . . . . . 80 GLN HB2 . 53002 1 191 . 1 . 1 80 80 GLN CA C 13 58.8 0.3 . 1 . . . . . 80 GLN CA . 53002 1 192 . 1 . 1 80 80 GLN CB C 13 28.5 0.3 . 1 . . . . . 80 GLN CB . 53002 1 193 . 1 . 1 80 80 GLN N N 15 118.8 0.3 . 1 . . . . . 80 GLN N . 53002 1 194 . 1 . 1 81 81 ASN H H 1 8.37 0.02 . 1 . . . . . 81 ASN H . 53002 1 195 . 1 . 1 81 81 ASN HA H 1 3.97 0.02 . 1 . . . . . 81 ASN HA . 53002 1 196 . 1 . 1 81 81 ASN CA C 13 56.0 0.3 . 1 . . . . . 81 ASN CA . 53002 1 197 . 1 . 1 81 81 ASN CB C 13 38.1 0.3 . 1 . . . . . 81 ASN CB . 53002 1 198 . 1 . 1 81 81 ASN N N 15 117.9 0.3 . 1 . . . . . 81 ASN N . 53002 1 199 . 1 . 1 82 82 ALA H H 1 7.93 0.02 . 1 . . . . . 82 ALA H . 53002 1 200 . 1 . 1 82 82 ALA HA H 1 4.42 0.02 . 1 . . . . . 82 ALA HA . 53002 1 201 . 1 . 1 82 82 ALA CA C 13 55.2 0.3 . 1 . . . . . 82 ALA CA . 53002 1 202 . 1 . 1 82 82 ALA CB C 13 17.8 0.3 . 1 . . . . . 82 ALA CB . 53002 1 203 . 1 . 1 82 82 ALA N N 15 123.1 0.3 . 1 . . . . . 82 ALA N . 53002 1 204 . 1 . 1 83 83 PHE H H 1 8.23 0.02 . 1 . . . . . 83 PHE H . 53002 1 205 . 1 . 1 83 83 PHE HA H 1 4.11 0.02 . 1 . . . . . 83 PHE HA . 53002 1 206 . 1 . 1 83 83 PHE CA C 13 60.8 0.3 . 1 . . . . . 83 PHE CA . 53002 1 207 . 1 . 1 83 83 PHE CB C 13 38.8 0.3 . 1 . . . . . 83 PHE CB . 53002 1 208 . 1 . 1 83 83 PHE N N 15 117.9 0.3 . 1 . . . . . 83 PHE N . 53002 1 209 . 1 . 1 84 84 TYR H H 1 8.10 0.02 . 1 . . . . . 84 TYR H . 53002 1 210 . 1 . 1 84 84 TYR HA H 1 3.86 0.02 . 1 . . . . . 84 TYR HA . 53002 1 211 . 1 . 1 84 84 TYR HB2 H 1 3.04 0.02 . 1 . . . . . 84 TYR HB2 . 53002 1 212 . 1 . 1 84 84 TYR CA C 13 62.1 0.3 . 1 . . . . . 84 TYR CA . 53002 1 213 . 1 . 1 84 84 TYR CB C 13 38.0 0.3 . 1 . . . . . 84 TYR CB . 53002 1 214 . 1 . 1 84 84 TYR N N 15 117.0 0.3 . 1 . . . . . 84 TYR N . 53002 1 215 . 1 . 1 85 85 GLU H H 1 8.45 0.02 . 1 . . . . . 85 GLU H . 53002 1 216 . 1 . 1 85 85 GLU HA H 1 3.97 0.02 . 1 . . . . . 85 GLU HA . 53002 1 217 . 1 . 1 85 85 GLU CA C 13 60.4 0.3 . 1 . . . . . 85 GLU CA . 53002 1 218 . 1 . 1 85 85 GLU CB C 13 29.8 0.3 . 1 . . . . . 85 GLU CB . 53002 1 219 . 1 . 1 85 85 GLU N N 15 119.2 0.3 . 1 . . . . . 85 GLU N . 53002 1 220 . 1 . 1 86 86 ILE H H 1 8.39 0.02 . 1 . . . . . 86 ILE H . 53002 1 221 . 1 . 1 86 86 ILE HA H 1 3.99 0.02 . 1 . . . . . 86 ILE HA . 53002 1 222 . 1 . 1 86 86 ILE HB H 1 2.13 0.02 . 1 . . . . . 86 ILE HB . 53002 1 223 . 1 . 1 86 86 ILE CA C 13 65.2 0.3 . 1 . . . . . 86 ILE CA . 53002 1 224 . 1 . 1 86 86 ILE CB C 13 37.3 0.3 . 1 . . . . . 86 ILE CB . 53002 1 225 . 1 . 1 86 86 ILE N N 15 119.4 0.3 . 1 . . . . . 86 ILE N . 53002 1 226 . 1 . 1 87 87 LEU H H 1 7.97 0.02 . 1 . . . . . 87 LEU H . 53002 1 227 . 1 . 1 87 87 LEU HA H 1 3.48 0.02 . 1 . . . . . 87 LEU HA . 53002 1 228 . 1 . 1 87 87 LEU CA C 13 57.4 0.3 . 1 . . . . . 87 LEU CA . 53002 1 229 . 1 . 1 87 87 LEU CB C 13 41.8 0.3 . 1 . . . . . 87 LEU CB . 53002 1 230 . 1 . 1 87 87 LEU N N 15 118.1 0.3 . 1 . . . . . 87 LEU N . 53002 1 231 . 1 . 1 88 88 HIS H H 1 7.23 0.02 . 1 . . . . . 88 HIS H . 53002 1 232 . 1 . 1 88 88 HIS HA H 1 3.72 0.02 . 1 . . . . . 88 HIS HA . 53002 1 233 . 1 . 1 88 88 HIS CA C 13 55.9 0.3 . 1 . . . . . 88 HIS CA . 53002 1 234 . 1 . 1 88 88 HIS CB C 13 29.5 0.3 . 1 . . . . . 88 HIS CB . 53002 1 235 . 1 . 1 88 88 HIS N N 15 112.3 0.3 . 1 . . . . . 88 HIS N . 53002 1 236 . 1 . 1 89 89 LEU H H 1 7.24 0.02 . 1 . . . . . 89 LEU H . 53002 1 237 . 1 . 1 89 89 LEU HA H 1 4.48 0.02 . 1 . . . . . 89 LEU HA . 53002 1 238 . 1 . 1 89 89 LEU CA C 13 53.2 0.3 . 1 . . . . . 89 LEU CA . 53002 1 239 . 1 . 1 89 89 LEU CB C 13 40.3 0.3 . 1 . . . . . 89 LEU CB . 53002 1 240 . 1 . 1 89 89 LEU N N 15 124.4 0.3 . 1 . . . . . 89 LEU N . 53002 1 241 . 1 . 1 91 91 ASN H H 1 8.92 0.02 . 1 . . . . . 91 ASN H . 53002 1 242 . 1 . 1 91 91 ASN HA H 1 4.44 0.02 . 1 . . . . . 91 ASN HA . 53002 1 243 . 1 . 1 91 91 ASN HB2 H 1 1.99 0.02 . 1 . . . . . 91 ASN HB2 . 53002 1 244 . 1 . 1 91 91 ASN CA C 13 52.5 0.3 . 1 . . . . . 91 ASN CA . 53002 1 245 . 1 . 1 91 91 ASN CB C 13 38.7 0.3 . 1 . . . . . 91 ASN CB . 53002 1 246 . 1 . 1 91 91 ASN N N 15 114.4 0.3 . 1 . . . . . 91 ASN N . 53002 1 247 . 1 . 1 92 92 LEU H H 1 6.55 0.02 . 1 . . . . . 92 LEU H . 53002 1 248 . 1 . 1 92 92 LEU HA H 1 5.03 0.02 . 1 . . . . . 92 LEU HA . 53002 1 249 . 1 . 1 92 92 LEU CA C 13 54.0 0.3 . 1 . . . . . 92 LEU CA . 53002 1 250 . 1 . 1 92 92 LEU CB C 13 43.6 0.3 . 1 . . . . . 92 LEU CB . 53002 1 251 . 1 . 1 92 92 LEU N N 15 117.0 0.3 . 1 . . . . . 92 LEU N . 53002 1 252 . 1 . 1 93 93 THR H H 1 8.84 0.02 . 1 . . . . . 93 THR H . 53002 1 253 . 1 . 1 93 93 THR HA H 1 4.60 0.02 . 1 . . . . . 93 THR HA . 53002 1 254 . 1 . 1 93 93 THR CA C 13 60.4 0.3 . 1 . . . . . 93 THR CA . 53002 1 255 . 1 . 1 93 93 THR CB C 13 70.4 0.3 . 1 . . . . . 93 THR CB . 53002 1 256 . 1 . 1 93 93 THR N N 15 112.8 0.3 . 1 . . . . . 93 THR N . 53002 1 257 . 1 . 1 94 94 GLU H H 1 9.05 0.02 . 1 . . . . . 94 GLU H . 53002 1 258 . 1 . 1 94 94 GLU HA H 1 4.50 0.02 . 1 . . . . . 94 GLU HA . 53002 1 259 . 1 . 1 94 94 GLU CA C 13 59.7 0.3 . 1 . . . . . 94 GLU CA . 53002 1 260 . 1 . 1 94 94 GLU CB C 13 29.0 0.3 . 1 . . . . . 94 GLU CB . 53002 1 261 . 1 . 1 94 94 GLU N N 15 122.0 0.3 . 1 . . . . . 94 GLU N . 53002 1 262 . 1 . 1 95 95 GLU H H 1 8.61 0.02 . 1 . . . . . 95 GLU H . 53002 1 263 . 1 . 1 95 95 GLU HA H 1 3.96 0.02 . 1 . . . . . 95 GLU HA . 53002 1 264 . 1 . 1 95 95 GLU CA C 13 59.7 0.3 . 1 . . . . . 95 GLU CA . 53002 1 265 . 1 . 1 95 95 GLU CB C 13 29.1 0.3 . 1 . . . . . 95 GLU CB . 53002 1 266 . 1 . 1 95 95 GLU N N 15 118.0 0.3 . 1 . . . . . 95 GLU N . 53002 1 267 . 1 . 1 96 96 GLN H H 1 7.76 0.02 . 1 . . . . . 96 GLN H . 53002 1 268 . 1 . 1 96 96 GLN HA H 1 4.01 0.02 . 1 . . . . . 96 GLN HA . 53002 1 269 . 1 . 1 96 96 GLN HB2 H 1 1.88 0.02 . 1 . . . . . 96 GLN HB2 . 53002 1 270 . 1 . 1 96 96 GLN CA C 13 57.9 0.3 . 1 . . . . . 96 GLN CA . 53002 1 271 . 1 . 1 96 96 GLN CB C 13 28.5 0.3 . 1 . . . . . 96 GLN CB . 53002 1 272 . 1 . 1 96 96 GLN N N 15 119.4 0.3 . 1 . . . . . 96 GLN N . 53002 1 273 . 1 . 1 97 97 ARG H H 1 8.77 0.02 . 1 . . . . . 97 ARG H . 53002 1 274 . 1 . 1 97 97 ARG HA H 1 3.79 0.02 . 1 . . . . . 97 ARG HA . 53002 1 275 . 1 . 1 97 97 ARG HB2 H 1 1.61 0.02 . 1 . . . . . 97 ARG HB2 . 53002 1 276 . 1 . 1 97 97 ARG CA C 13 60.7 0.3 . 1 . . . . . 97 ARG CA . 53002 1 277 . 1 . 1 97 97 ARG CB C 13 30.4 0.3 . 1 . . . . . 97 ARG CB . 53002 1 278 . 1 . 1 97 97 ARG N N 15 119.9 0.3 . 1 . . . . . 97 ARG N . 53002 1 279 . 1 . 1 98 98 ASN H H 1 8.67 0.02 . 1 . . . . . 98 ASN H . 53002 1 280 . 1 . 1 98 98 ASN HA H 1 3.78 0.02 . 1 . . . . . 98 ASN HA . 53002 1 281 . 1 . 1 98 98 ASN CA C 13 55.8 0.3 . 1 . . . . . 98 ASN CA . 53002 1 282 . 1 . 1 98 98 ASN CB C 13 37.6 0.3 . 1 . . . . . 98 ASN CB . 53002 1 283 . 1 . 1 98 98 ASN N N 15 115.8 0.3 . 1 . . . . . 98 ASN N . 53002 1 284 . 1 . 1 99 99 GLY H H 1 7.91 0.02 . 1 . . . . . 99 GLY H . 53002 1 285 . 1 . 1 99 99 GLY CA C 13 47.0 0.3 . 1 . . . . . 99 GLY CA . 53002 1 286 . 1 . 1 99 99 GLY N N 15 108.6 0.3 . 1 . . . . . 99 GLY N . 53002 1 287 . 1 . 1 100 100 PHE H H 1 7.79 0.02 . 1 . . . . . 100 PHE H . 53002 1 288 . 1 . 1 100 100 PHE HA H 1 3.80 0.02 . 1 . . . . . 100 PHE HA . 53002 1 289 . 1 . 1 100 100 PHE CA C 13 60.6 0.3 . 1 . . . . . 100 PHE CA . 53002 1 290 . 1 . 1 100 100 PHE CB C 13 39.0 0.3 . 1 . . . . . 100 PHE CB . 53002 1 291 . 1 . 1 100 100 PHE N N 15 121.1 0.3 . 1 . . . . . 100 PHE N . 53002 1 292 . 1 . 1 101 101 ILE H H 1 8.40 0.02 . 1 . . . . . 101 ILE H . 53002 1 293 . 1 . 1 101 101 ILE HA H 1 4.61 0.02 . 1 . . . . . 101 ILE HA . 53002 1 294 . 1 . 1 101 101 ILE CA C 13 64.7 0.3 . 1 . . . . . 101 ILE CA . 53002 1 295 . 1 . 1 101 101 ILE CB C 13 36.9 0.3 . 1 . . . . . 101 ILE CB . 53002 1 296 . 1 . 1 101 101 ILE N N 15 119.1 0.3 . 1 . . . . . 101 ILE N . 53002 1 297 . 1 . 1 102 102 GLN H H 1 8.31 0.02 . 1 . . . . . 102 GLN H . 53002 1 298 . 1 . 1 102 102 GLN HA H 1 3.72 0.02 . 1 . . . . . 102 GLN HA . 53002 1 299 . 1 . 1 102 102 GLN CA C 13 58.6 0.3 . 1 . . . . . 102 GLN CA . 53002 1 300 . 1 . 1 102 102 GLN CB C 13 28.0 0.3 . 1 . . . . . 102 GLN CB . 53002 1 301 . 1 . 1 102 102 GLN N N 15 119.3 0.3 . 1 . . . . . 102 GLN N . 53002 1 302 . 1 . 1 103 103 SER H H 1 8.05 0.02 . 1 . . . . . 103 SER H . 53002 1 303 . 1 . 1 103 103 SER HA H 1 3.91 0.02 . 1 . . . . . 103 SER HA . 53002 1 304 . 1 . 1 103 103 SER CA C 13 62.7 0.3 . 1 . . . . . 103 SER CA . 53002 1 305 . 1 . 1 103 103 SER N N 15 115.4 0.3 . 1 . . . . . 103 SER N . 53002 1 306 . 1 . 1 104 104 LEU H H 1 7.99 0.02 . 1 . . . . . 104 LEU H . 53002 1 307 . 1 . 1 104 104 LEU HA H 1 4.31 0.02 . 1 . . . . . 104 LEU HA . 53002 1 308 . 1 . 1 104 104 LEU CA C 13 57.4 0.3 . 1 . . . . . 104 LEU CA . 53002 1 309 . 1 . 1 104 104 LEU CB C 13 42.7 0.3 . 1 . . . . . 104 LEU CB . 53002 1 310 . 1 . 1 104 104 LEU N N 15 122.6 0.3 . 1 . . . . . 104 LEU N . 53002 1 311 . 1 . 1 105 105 LYS H H 1 8.00 0.02 . 1 . . . . . 105 LYS H . 53002 1 312 . 1 . 1 105 105 LYS HA H 1 3.89 0.02 . 1 . . . . . 105 LYS HA . 53002 1 313 . 1 . 1 105 105 LYS HB2 H 1 1.67 0.02 . 1 . . . . . 105 LYS HB2 . 53002 1 314 . 1 . 1 105 105 LYS CA C 13 59.4 0.3 . 1 . . . . . 105 LYS CA . 53002 1 315 . 1 . 1 105 105 LYS CB C 13 32.6 0.3 . 1 . . . . . 105 LYS CB . 53002 1 316 . 1 . 1 105 105 LYS N N 15 116.5 0.3 . 1 . . . . . 105 LYS N . 53002 1 317 . 1 . 1 106 106 ASP H H 1 8.17 0.02 . 1 . . . . . 106 ASP H . 53002 1 318 . 1 . 1 106 106 ASP HA H 1 4.01 0.02 . 1 . . . . . 106 ASP HA . 53002 1 319 . 1 . 1 106 106 ASP CA C 13 56.5 0.3 . 1 . . . . . 106 ASP CA . 53002 1 320 . 1 . 1 106 106 ASP CB C 13 40.8 0.3 . 1 . . . . . 106 ASP CB . 53002 1 321 . 1 . 1 106 106 ASP N N 15 118.3 0.3 . 1 . . . . . 106 ASP N . 53002 1 322 . 1 . 1 107 107 ASP H H 1 7.55 0.02 . 1 . . . . . 107 ASP H . 53002 1 323 . 1 . 1 107 107 ASP HA H 1 4.42 0.02 . 1 . . . . . 107 ASP HA . 53002 1 324 . 1 . 1 107 107 ASP CA C 13 51.6 0.3 . 1 . . . . . 107 ASP CA . 53002 1 325 . 1 . 1 107 107 ASP N N 15 114.6 0.3 . 1 . . . . . 107 ASP N . 53002 1 326 . 1 . 1 109 109 SER H H 1 8.19 0.02 . 1 . . . . . 109 SER H . 53002 1 327 . 1 . 1 109 109 SER HA H 1 4.48 0.02 . 1 . . . . . 109 SER HA . 53002 1 328 . 1 . 1 109 109 SER CA C 13 61.1 0.3 . 1 . . . . . 109 SER CA . 53002 1 329 . 1 . 1 109 109 SER CB C 13 63.1 0.3 . 1 . . . . . 109 SER CB . 53002 1 330 . 1 . 1 109 109 SER N N 15 113.1 0.3 . 1 . . . . . 109 SER N . 53002 1 331 . 1 . 1 110 110 VAL H H 1 7.30 0.02 . 1 . . . . . 110 VAL H . 53002 1 332 . 1 . 1 110 110 VAL HA H 1 4.25 0.02 . 1 . . . . . 110 VAL HA . 53002 1 333 . 1 . 1 110 110 VAL CA C 13 60.8 0.3 . 1 . . . . . 110 VAL CA . 53002 1 334 . 1 . 1 110 110 VAL CB C 13 30.3 0.3 . 1 . . . . . 110 VAL CB . 53002 1 335 . 1 . 1 110 110 VAL N N 15 115.2 0.3 . 1 . . . . . 110 VAL N . 53002 1 336 . 1 . 1 111 111 SER H H 1 7.58 0.02 . 1 . . . . . 111 SER H . 53002 1 337 . 1 . 1 111 111 SER HA H 1 4.87 0.02 . 1 . . . . . 111 SER HA . 53002 1 338 . 1 . 1 111 111 SER CA C 13 63.1 0.3 . 1 . . . . . 111 SER CA . 53002 1 339 . 1 . 1 111 111 SER N N 15 116.7 0.3 . 1 . . . . . 111 SER N . 53002 1 340 . 1 . 1 112 112 LYS H H 1 8.52 0.02 . 1 . . . . . 112 LYS H . 53002 1 341 . 1 . 1 112 112 LYS HA H 1 3.80 0.02 . 1 . . . . . 112 LYS HA . 53002 1 342 . 1 . 1 112 112 LYS CA C 13 60.1 0.3 . 1 . . . . . 112 LYS CA . 53002 1 343 . 1 . 1 112 112 LYS CB C 13 31.8 0.3 . 1 . . . . . 112 LYS CB . 53002 1 344 . 1 . 1 112 112 LYS N N 15 120.5 0.3 . 1 . . . . . 112 LYS N . 53002 1 345 . 1 . 1 113 113 GLU H H 1 8.28 0.02 . 1 . . . . . 113 GLU H . 53002 1 346 . 1 . 1 113 113 GLU HA H 1 3.95 0.02 . 1 . . . . . 113 GLU HA . 53002 1 347 . 1 . 1 113 113 GLU CA C 13 59.9 0.3 . 1 . . . . . 113 GLU CA . 53002 1 348 . 1 . 1 113 113 GLU CB C 13 28.9 0.3 . 1 . . . . . 113 GLU CB . 53002 1 349 . 1 . 1 113 113 GLU N N 15 121.6 0.3 . 1 . . . . . 113 GLU N . 53002 1 350 . 1 . 1 114 114 ILE H H 1 8.32 0.02 . 1 . . . . . 114 ILE H . 53002 1 351 . 1 . 1 114 114 ILE HA H 1 4.10 0.02 . 1 . . . . . 114 ILE HA . 53002 1 352 . 1 . 1 114 114 ILE HB H 1 2.28 0.02 . 1 . . . . . 114 ILE HB . 53002 1 353 . 1 . 1 114 114 ILE CA C 13 63.9 0.3 . 1 . . . . . 114 ILE CA . 53002 1 354 . 1 . 1 114 114 ILE CB C 13 37.5 0.3 . 1 . . . . . 114 ILE CB . 53002 1 355 . 1 . 1 114 114 ILE N N 15 122.2 0.3 . 1 . . . . . 114 ILE N . 53002 1 356 . 1 . 1 115 115 LEU H H 1 8.33 0.02 . 1 . . . . . 115 LEU H . 53002 1 357 . 1 . 1 115 115 LEU HA H 1 3.81 0.02 . 1 . . . . . 115 LEU HA . 53002 1 358 . 1 . 1 115 115 LEU CA C 13 57.9 0.3 . 1 . . . . . 115 LEU CA . 53002 1 359 . 1 . 1 115 115 LEU CB C 13 41.7 0.3 . 1 . . . . . 115 LEU CB . 53002 1 360 . 1 . 1 115 115 LEU N N 15 119.4 0.3 . 1 . . . . . 115 LEU N . 53002 1 361 . 1 . 1 116 116 ALA H H 1 7.69 0.02 . 1 . . . . . 116 ALA H . 53002 1 362 . 1 . 1 116 116 ALA HA H 1 3.79 0.02 . 1 . . . . . 116 ALA HA . 53002 1 363 . 1 . 1 116 116 ALA HB1 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 364 . 1 . 1 116 116 ALA HB2 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 365 . 1 . 1 116 116 ALA HB3 H 1 1.83 0.02 . 1 . . . . . 116 ALA HB . 53002 1 366 . 1 . 1 116 116 ALA CA C 13 55.1 0.3 . 1 . . . . . 116 ALA CA . 53002 1 367 . 1 . 1 116 116 ALA CB C 13 17.8 0.3 . 1 . . . . . 116 ALA CB . 53002 1 368 . 1 . 1 116 116 ALA N N 15 119.3 0.3 . 1 . . . . . 116 ALA N . 53002 1 369 . 1 . 1 117 117 GLU H H 1 7.87 0.02 . 1 . . . . . 117 GLU H . 53002 1 370 . 1 . 1 117 117 GLU HA H 1 4.01 0.02 . 1 . . . . . 117 GLU HA . 53002 1 371 . 1 . 1 117 117 GLU CA C 13 59.1 0.3 . 1 . . . . . 117 GLU CA . 53002 1 372 . 1 . 1 117 117 GLU CB C 13 29.2 0.3 . 1 . . . . . 117 GLU CB . 53002 1 373 . 1 . 1 117 117 GLU N N 15 120.1 0.3 . 1 . . . . . 117 GLU N . 53002 1 374 . 1 . 1 118 118 ALA H H 1 8.33 0.02 . 1 . . . . . 118 ALA H . 53002 1 375 . 1 . 1 118 118 ALA HA H 1 4.01 0.02 . 1 . . . . . 118 ALA HA . 53002 1 376 . 1 . 1 118 118 ALA HB1 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 377 . 1 . 1 118 118 ALA HB2 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 378 . 1 . 1 118 118 ALA HB3 H 1 2.18 0.02 . 1 . . . . . 118 ALA HB . 53002 1 379 . 1 . 1 118 118 ALA CA C 13 55.0 0.3 . 1 . . . . . 118 ALA CA . 53002 1 380 . 1 . 1 118 118 ALA CB C 13 17.7 0.3 . 1 . . . . . 118 ALA CB . 53002 1 381 . 1 . 1 118 118 ALA N N 15 123.4 0.3 . 1 . . . . . 118 ALA N . 53002 1 382 . 1 . 1 119 119 LYS H H 1 8.50 0.02 . 1 . . . . . 119 LYS H . 53002 1 383 . 1 . 1 119 119 LYS HA H 1 3.47 0.02 . 1 . . . . . 119 LYS HA . 53002 1 384 . 1 . 1 119 119 LYS CA C 13 60.1 0.3 . 1 . . . . . 119 LYS CA . 53002 1 385 . 1 . 1 119 119 LYS CB C 13 32.0 0.3 . 1 . . . . . 119 LYS CB . 53002 1 386 . 1 . 1 119 119 LYS N N 15 117.9 0.3 . 1 . . . . . 119 LYS N . 53002 1 387 . 1 . 1 120 120 LYS H H 1 7.76 0.02 . 1 . . . . . 120 LYS H . 53002 1 388 . 1 . 1 120 120 LYS HA H 1 3.77 0.02 . 1 . . . . . 120 LYS HA . 53002 1 389 . 1 . 1 120 120 LYS HB2 H 1 1.77 0.02 . 1 . . . . . 120 LYS HB2 . 53002 1 390 . 1 . 1 120 120 LYS CA C 13 59.6 0.3 . 1 . . . . . 120 LYS CA . 53002 1 391 . 1 . 1 120 120 LYS CB C 13 32.3 0.3 . 1 . . . . . 120 LYS CB . 53002 1 392 . 1 . 1 120 120 LYS N N 15 120.3 0.3 . 1 . . . . . 120 LYS N . 53002 1 393 . 1 . 1 121 121 LEU H H 1 8.03 0.02 . 1 . . . . . 121 LEU H . 53002 1 394 . 1 . 1 121 121 LEU HA H 1 4.11 0.02 . 1 . . . . . 121 LEU HA . 53002 1 395 . 1 . 1 121 121 LEU CA C 13 57.5 0.3 . 1 . . . . . 121 LEU CA . 53002 1 396 . 1 . 1 121 121 LEU CB C 13 41.8 0.3 . 1 . . . . . 121 LEU CB . 53002 1 397 . 1 . 1 121 121 LEU N N 15 122.2 0.3 . 1 . . . . . 121 LEU N . 53002 1 398 . 1 . 1 122 122 ASN H H 1 8.56 0.02 . 1 . . . . . 122 ASN H . 53002 1 399 . 1 . 1 122 122 ASN HA H 1 4.21 0.02 . 1 . . . . . 122 ASN HA . 53002 1 400 . 1 . 1 122 122 ASN CA C 13 57.9 0.3 . 1 . . . . . 122 ASN CA . 53002 1 401 . 1 . 1 122 122 ASN N N 15 117.0 0.3 . 1 . . . . . 122 ASN N . 53002 1 402 . 1 . 1 123 123 ASP H H 1 8.27 0.02 . 1 . . . . . 123 ASP H . 53002 1 403 . 1 . 1 123 123 ASP HA H 1 4.01 0.02 . 1 . . . . . 123 ASP HA . 53002 1 404 . 1 . 1 123 123 ASP HB2 H 1 2.41 0.02 . 1 . . . . . 123 ASP HB2 . 53002 1 405 . 1 . 1 123 123 ASP CA C 13 56.9 0.3 . 1 . . . . . 123 ASP CA . 53002 1 406 . 1 . 1 123 123 ASP CB C 13 39.9 0.3 . 1 . . . . . 123 ASP CB . 53002 1 407 . 1 . 1 123 123 ASP N N 15 118.8 0.3 . 1 . . . . . 123 ASP N . 53002 1 408 . 1 . 1 124 124 ALA H H 1 8.07 0.02 . 1 . . . . . 124 ALA H . 53002 1 409 . 1 . 1 124 124 ALA HA H 1 4.46 0.02 . 1 . . . . . 124 ALA HA . 53002 1 410 . 1 . 1 124 124 ALA CA C 13 54.3 0.3 . 1 . . . . . 124 ALA CA . 53002 1 411 . 1 . 1 124 124 ALA CB C 13 18.5 0.3 . 1 . . . . . 124 ALA CB . 53002 1 412 . 1 . 1 124 124 ALA N N 15 123.1 0.3 . 1 . . . . . 124 ALA N . 53002 1 413 . 1 . 1 125 125 GLN H H 1 7.57 0.02 . 1 . . . . . 125 GLN H . 53002 1 414 . 1 . 1 125 125 GLN HA H 1 4.25 0.02 . 1 . . . . . 125 GLN HA . 53002 1 415 . 1 . 1 125 125 GLN CA C 13 54.9 0.3 . 1 . . . . . 125 GLN CA . 53002 1 416 . 1 . 1 125 125 GLN CB C 13 28.2 0.3 . 1 . . . . . 125 GLN CB . 53002 1 417 . 1 . 1 125 125 GLN N N 15 115.1 0.3 . 1 . . . . . 125 GLN N . 53002 1 418 . 1 . 1 126 126 ALA H H 1 7.13 0.02 . 1 . . . . . 126 ALA H . 53002 1 419 . 1 . 1 126 126 ALA HA H 1 4.39 0.02 . 1 . . . . . 126 ALA HA . 53002 1 420 . 1 . 1 126 126 ALA CA C 13 51.0 0.3 . 1 . . . . . 126 ALA CA . 53002 1 421 . 1 . 1 126 126 ALA CB C 13 17.9 0.3 . 1 . . . . . 126 ALA CB . 53002 1 422 . 1 . 1 126 126 ALA N N 15 124.6 0.3 . 1 . . . . . 126 ALA N . 53002 1 423 . 1 . 1 128 128 LYS H H 1 8.09 0.02 . 1 . . . . . 128 LYS H . 53002 1 424 . 1 . 1 128 128 LYS HA H 1 4.42 0.02 . 1 . . . . . 128 LYS HA . 53002 1 425 . 1 . 1 128 128 LYS HB2 H 1 1.97 0.02 . 1 . . . . . 128 LYS HB2 . 53002 1 426 . 1 . 1 128 128 LYS CA C 13 57.4 0.3 . 1 . . . . . 128 LYS CA . 53002 1 427 . 1 . 1 128 128 LYS CB C 13 33.7 0.3 . 1 . . . . . 128 LYS CB . 53002 1 428 . 1 . 1 128 128 LYS N N 15 127.5 0.3 . 1 . . . . . 128 LYS N . 53002 1 stop_ save_