################################### # 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 51541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Protein A, B domain' _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 '2D 1H-15N HSQC' . . . 51541 1 2 '3D HNCO' . . . 51541 1 3 '3D HNCA' . . . 51541 1 4 '3D HN(CO)CA' . . . 51541 1 5 '3D (H)N(CA)NNH' . . . 51541 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 . . 51541 1 2 $software_2 . . 51541 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 GLY C C 13 170.7 0.05 . 1 . . . . . -2 GLY C . 51541 1 2 . 1 . 1 1 1 GLY CA C 13 43.5 0.05 . 1 . . . . . -2 GLY CA . 51541 1 3 . 1 . 1 2 2 SER H H 1 8.6 0.05 . 1 . . . . . -1 SER H . 51541 1 4 . 1 . 1 2 2 SER C C 13 174.5 0.05 . 1 . . . . . -1 SER C . 51541 1 5 . 1 . 1 2 2 SER CA C 13 58.8 0.05 . 1 . . . . . -1 SER CA . 51541 1 6 . 1 . 1 2 2 SER N N 15 115.2 0.05 . 1 . . . . . -1 SER N . 51541 1 7 . 1 . 1 3 3 HIS H H 1 8.5 0.05 . 1 . . . . . 0 HIS H . 51541 1 8 . 1 . 1 3 3 HIS C C 13 174.7 0.05 . 1 . . . . . 0 HIS C . 51541 1 9 . 1 . 1 3 3 HIS CA C 13 55.5 0.05 . 1 . . . . . 0 HIS CA . 51541 1 10 . 1 . 1 3 3 HIS N N 15 118.3 0.05 . 1 . . . . . 0 HIS N . 51541 1 11 . 1 . 1 4 4 MET H H 1 8.1 0.05 . 1 . . . . . 1 MET H . 51541 1 12 . 1 . 1 4 4 MET C C 13 175.6 0.05 . 1 . . . . . 1 MET C . 51541 1 13 . 1 . 1 4 4 MET CA C 13 55.6 0.05 . 1 . . . . . 1 MET CA . 51541 1 14 . 1 . 1 4 4 MET N N 15 117.6 0.05 . 1 . . . . . 1 MET N . 51541 1 15 . 1 . 1 5 5 ALA H H 1 8.2 0.05 . 1 . . . . . 2 ALA H . 51541 1 16 . 1 . 1 5 5 ALA C C 13 177.0 0.05 . 1 . . . . . 2 ALA C . 51541 1 17 . 1 . 1 5 5 ALA CA C 13 51.8 0.05 . 1 . . . . . 2 ALA CA . 51541 1 18 . 1 . 1 5 5 ALA N N 15 121.7 0.05 . 1 . . . . . 2 ALA N . 51541 1 19 . 1 . 1 6 6 ASP H H 1 8.3 0.05 . 1 . . . . . 3 ASP H . 51541 1 20 . 1 . 1 6 6 ASP CA C 13 53.0 0.05 . 1 . . . . . 3 ASP CA . 51541 1 21 . 1 . 1 6 6 ASP N N 15 116.2 0.05 . 1 . . . . . 3 ASP N . 51541 1 22 . 1 . 1 7 7 ASN H H 1 8.0 0.05 . 1 . . . . . 4 ASN H . 51541 1 23 . 1 . 1 7 7 ASN C C 13 175.8 0.05 . 1 . . . . . 4 ASN C . 51541 1 24 . 1 . 1 7 7 ASN CA C 13 53.2 0.05 . 1 . . . . . 4 ASN CA . 51541 1 25 . 1 . 1 7 7 ASN N N 15 116.6 0.05 . 1 . . . . . 4 ASN N . 51541 1 26 . 1 . 1 8 8 LYS H H 1 8.0 0.05 . 1 . . . . . 5 LYS H . 51541 1 27 . 1 . 1 8 8 LYS C C 13 176.2 0.05 . 1 . . . . . 5 LYS C . 51541 1 28 . 1 . 1 8 8 LYS CA C 13 56.4 0.05 . 1 . . . . . 5 LYS CA . 51541 1 29 . 1 . 1 8 8 LYS N N 15 118.1 0.05 . 1 . . . . . 5 LYS N . 51541 1 30 . 1 . 1 9 9 PHE H H 1 8.0 0.05 . 1 . . . . . 6 PHE H . 51541 1 31 . 1 . 1 9 9 PHE C C 13 176.0 0.05 . 1 . . . . . 6 PHE C . 51541 1 32 . 1 . 1 9 9 PHE CA C 13 57.5 0.05 . 1 . . . . . 6 PHE CA . 51541 1 33 . 1 . 1 9 9 PHE N N 15 115.9 0.05 . 1 . . . . . 6 PHE N . 51541 1 34 . 1 . 1 10 10 ASN H H 1 8.2 0.05 . 1 . . . . . 7 ASN H . 51541 1 35 . 1 . 1 10 10 ASN N N 15 117.6 0.05 . 1 . . . . . 7 ASN N . 51541 1 36 . 1 . 1 11 11 LYS H H 1 8.0 0.05 . 1 . . . . . 8 LYS H . 51541 1 37 . 1 . 1 11 11 LYS C C 13 176.2 0.05 . 1 . . . . . 8 LYS C . 51541 1 38 . 1 . 1 11 11 LYS CA C 13 56.3 0.05 . 1 . . . . . 8 LYS CA . 51541 1 39 . 1 . 1 11 11 LYS N N 15 118.2 0.05 . 1 . . . . . 8 LYS N . 51541 1 40 . 1 . 1 12 12 GLU H H 1 8.1 0.05 . 1 . . . . . 9 GLU H . 51541 1 41 . 1 . 1 12 12 GLU CA C 13 56.1 0.05 . 1 . . . . . 9 GLU CA . 51541 1 42 . 1 . 1 12 12 GLU N N 15 117.1 0.05 . 1 . . . . . 9 GLU N . 51541 1 43 . 1 . 1 13 13 GLN H H 1 7.9 0.05 . 1 . . . . . 10 GLN H . 51541 1 44 . 1 . 1 13 13 GLN CA C 13 53.2 0.05 . 1 . . . . . 10 GLN CA . 51541 1 45 . 1 . 1 13 13 GLN N N 15 117.8 0.05 . 1 . . . . . 10 GLN N . 51541 1 46 . 1 . 1 14 14 GLN H H 1 8.0 0.05 . 1 . . . . . 11 GLN H . 51541 1 47 . 1 . 1 14 14 GLN C C 13 176.0 0.05 . 1 . . . . . 11 GLN C . 51541 1 48 . 1 . 1 14 14 GLN CA C 13 56.1 0.05 . 1 . . . . . 11 GLN CA . 51541 1 49 . 1 . 1 14 14 GLN N N 15 118.2 0.05 . 1 . . . . . 11 GLN N . 51541 1 50 . 1 . 1 15 15 ASN H H 1 8.2 0.05 . 1 . . . . . 12 ASN H . 51541 1 51 . 1 . 1 15 15 ASN CA C 13 53.4 0.05 . 1 . . . . . 12 ASN CA . 51541 1 52 . 1 . 1 15 15 ASN N N 15 117.6 0.05 . 1 . . . . . 12 ASN N . 51541 1 53 . 1 . 1 16 16 ALA H H 1 8.1 0.05 . 1 . . . . . 13 ALA H . 51541 1 54 . 1 . 1 16 16 ALA CA C 13 52.4 0.05 . 1 . . . . . 13 ALA CA . 51541 1 55 . 1 . 1 16 16 ALA N N 15 121.3 0.05 . 1 . . . . . 13 ALA N . 51541 1 56 . 1 . 1 17 17 PHE H H 1 8.0 0.05 . 1 . . . . . 14 PHE H . 51541 1 57 . 1 . 1 17 17 PHE CA C 13 58.1 0.05 . 1 . . . . . 14 PHE CA . 51541 1 58 . 1 . 1 17 17 PHE N N 15 115.1 0.05 . 1 . . . . . 14 PHE N . 51541 1 59 . 1 . 1 18 18 TYR H H 1 7.9 0.05 . 1 . . . . . 15 TYR H . 51541 1 60 . 1 . 1 18 18 TYR CA C 13 53.1 0.05 . 1 . . . . . 15 TYR CA . 51541 1 61 . 1 . 1 18 18 TYR N N 15 116.1 0.05 . 1 . . . . . 15 TYR N . 51541 1 62 . 1 . 1 19 19 GLU H H 1 8.0 0.05 . 1 . . . . . 16 GLU H . 51541 1 63 . 1 . 1 19 19 GLU CA C 13 55.5 0.05 . 1 . . . . . 16 GLU CA . 51541 1 64 . 1 . 1 19 19 GLU N N 15 117.4 0.05 . 1 . . . . . 16 GLU N . 51541 1 65 . 1 . 1 20 20 ILE H H 1 7.8 0.05 . 1 . . . . . 17 ILE H . 51541 1 66 . 1 . 1 20 20 ILE C C 13 175.7 0.05 . 1 . . . . . 17 ILE C . 51541 1 67 . 1 . 1 20 20 ILE CA C 13 60.5 0.05 . 1 . . . . . 17 ILE CA . 51541 1 68 . 1 . 1 20 20 ILE N N 15 117.2 0.05 . 1 . . . . . 17 ILE N . 51541 1 69 . 1 . 1 21 21 LEU H H 1 8.0 0.05 . 1 . . . . . 18 LEU H . 51541 1 70 . 1 . 1 21 21 LEU CA C 13 54.6 0.05 . 1 . . . . . 18 LEU CA . 51541 1 71 . 1 . 1 21 21 LEU N N 15 121.8 0.05 . 1 . . . . . 18 LEU N . 51541 1 72 . 1 . 1 22 22 HIS H H 1 8.0 0.05 . 1 . . . . . 19 HIS H . 51541 1 73 . 1 . 1 22 22 HIS C C 13 174.3 0.05 . 1 . . . . . 19 HIS C . 51541 1 74 . 1 . 1 22 22 HIS CA C 13 54.6 0.05 . 1 . . . . . 19 HIS CA . 51541 1 75 . 1 . 1 22 22 HIS N N 15 115.9 0.05 . 1 . . . . . 19 HIS N . 51541 1 76 . 1 . 1 23 23 LEU H H 1 8.1 0.05 . 1 . . . . . 20 LEU H . 51541 1 77 . 1 . 1 23 23 LEU CA C 13 52.5 0.05 . 1 . . . . . 20 LEU CA . 51541 1 78 . 1 . 1 23 23 LEU N N 15 120.6 0.05 . 1 . . . . . 20 LEU N . 51541 1 79 . 1 . 1 24 24 PRO C C 13 176.1 0.05 . 1 . . . . . 21 PRO C . 51541 1 80 . 1 . 1 24 24 PRO CA C 13 62.8 0.05 . 1 . . . . . 21 PRO CA . 51541 1 81 . 1 . 1 25 25 ASN H H 1 8.2 0.05 . 1 . . . . . 22 ASN H . 51541 1 82 . 1 . 1 25 25 ASN CA C 13 53.1 0.05 . 1 . . . . . 22 ASN CA . 51541 1 83 . 1 . 1 25 25 ASN N N 15 116.0 0.05 . 1 . . . . . 22 ASN N . 51541 1 84 . 1 . 1 26 26 LEU H H 1 8.0 0.05 . 1 . . . . . 23 LEU H . 51541 1 85 . 1 . 1 26 26 LEU C C 13 177.1 0.05 . 1 . . . . . 23 LEU C . 51541 1 86 . 1 . 1 26 26 LEU CA C 13 55.0 0.05 . 1 . . . . . 23 LEU CA . 51541 1 87 . 1 . 1 26 26 LEU N N 15 119.4 0.05 . 1 . . . . . 23 LEU N . 51541 1 88 . 1 . 1 27 27 ASN H H 1 8.2 0.05 . 1 . . . . . 24 ASN H . 51541 1 89 . 1 . 1 27 27 ASN CA C 13 53.7 0.05 . 1 . . . . . 24 ASN CA . 51541 1 90 . 1 . 1 27 27 ASN N N 15 116.9 0.05 . 1 . . . . . 24 ASN N . 51541 1 91 . 1 . 1 28 28 GLU H H 1 7.9 0.05 . 1 . . . . . 25 GLU H . 51541 1 92 . 1 . 1 28 28 GLU C C 13 176.1 0.05 . 1 . . . . . 25 GLU C . 51541 1 93 . 1 . 1 28 28 GLU CA C 13 55.8 0.05 . 1 . . . . . 25 GLU CA . 51541 1 94 . 1 . 1 28 28 GLU N N 15 117.0 0.05 . 1 . . . . . 25 GLU N . 51541 1 95 . 1 . 1 29 29 GLU H H 1 7.9 0.05 . 1 . . . . . 26 GLU H . 51541 1 96 . 1 . 1 29 29 GLU N N 15 116.7 0.05 . 1 . . . . . 26 GLU N . 51541 1 97 . 1 . 1 30 30 GLN H H 1 7.9 0.05 . 1 . . . . . 27 GLN H . 51541 1 98 . 1 . 1 30 30 GLN C C 13 176.0 0.05 . 1 . . . . . 27 GLN C . 51541 1 99 . 1 . 1 30 30 GLN CA C 13 56.0 0.05 . 1 . . . . . 27 GLN CA . 51541 1 100 . 1 . 1 30 30 GLN N N 15 117.8 0.05 . 1 . . . . . 27 GLN N . 51541 1 101 . 1 . 1 31 31 ARG H H 1 8.0 0.05 . 1 . . . . . 28 ARG H . 51541 1 102 . 1 . 1 31 31 ARG C C 13 176.0 0.05 . 1 . . . . . 28 ARG C . 51541 1 103 . 1 . 1 31 31 ARG CA C 13 55.5 0.05 . 1 . . . . . 28 ARG CA . 51541 1 104 . 1 . 1 31 31 ARG N N 15 118.5 0.05 . 1 . . . . . 28 ARG N . 51541 1 105 . 1 . 1 32 32 ASN H H 1 8.1 0.05 . 1 . . . . . 29 ASN H . 51541 1 106 . 1 . 1 32 32 ASN C C 13 176.1 0.05 . 1 . . . . . 29 ASN C . 51541 1 107 . 1 . 1 32 32 ASN CA C 13 53.4 0.05 . 1 . . . . . 29 ASN CA . 51541 1 108 . 1 . 1 32 32 ASN N N 15 117.5 0.05 . 1 . . . . . 29 ASN N . 51541 1 109 . 1 . 1 33 33 GLY H H 1 8.2 0.05 . 1 . . . . . 30 GLY H . 51541 1 110 . 1 . 1 33 33 GLY CA C 13 45.7 0.05 . 1 . . . . . 30 GLY CA . 51541 1 111 . 1 . 1 33 33 GLY N N 15 106.5 0.05 . 1 . . . . . 30 GLY N . 51541 1 112 . 1 . 1 34 34 PHE H H 1 8.1 0.05 . 1 . . . . . 31 PHE H . 51541 1 113 . 1 . 1 34 34 PHE C C 13 176.0 0.05 . 1 . . . . . 31 PHE C . 51541 1 114 . 1 . 1 34 34 PHE CA C 13 57.8 0.05 . 1 . . . . . 31 PHE CA . 51541 1 115 . 1 . 1 34 34 PHE N N 15 116.8 0.05 . 1 . . . . . 31 PHE N . 51541 1 116 . 1 . 1 35 35 ILE H H 1 7.9 0.05 . 1 . . . . . 32 ILE H . 51541 1 117 . 1 . 1 35 35 ILE C C 13 175.9 0.05 . 1 . . . . . 32 ILE C . 51541 1 118 . 1 . 1 35 35 ILE CA C 13 60.8 0.05 . 1 . . . . . 32 ILE CA . 51541 1 119 . 1 . 1 35 35 ILE N N 15 117.0 0.05 . 1 . . . . . 32 ILE N . 51541 1 120 . 1 . 1 36 36 GLN H H 1 8.1 0.05 . 1 . . . . . 33 GLN H . 51541 1 121 . 1 . 1 36 36 GLN C C 13 176.0 0.05 . 1 . . . . . 33 GLN C . 51541 1 122 . 1 . 1 36 36 GLN CA C 13 56.0 0.05 . 1 . . . . . 33 GLN CA . 51541 1 123 . 1 . 1 36 36 GLN N N 15 121.0 0.05 . 1 . . . . . 33 GLN N . 51541 1 124 . 1 . 1 37 37 SER H H 1 7.9 0.05 . 1 . . . . . 34 SER H . 51541 1 125 . 1 . 1 37 37 SER C C 13 175.0 0.05 . 1 . . . . . 34 SER C . 51541 1 126 . 1 . 1 37 37 SER CA C 13 58.6 0.05 . 1 . . . . . 34 SER CA . 51541 1 127 . 1 . 1 37 37 SER N N 15 113.8 0.05 . 1 . . . . . 34 SER N . 51541 1 128 . 1 . 1 38 38 LEU H H 1 8.0 0.05 . 1 . . . . . 35 LEU H . 51541 1 129 . 1 . 1 38 38 LEU C C 13 176.8 0.05 . 1 . . . . . 35 LEU C . 51541 1 130 . 1 . 1 38 38 LEU CA C 13 54.9 0.05 . 1 . . . . . 35 LEU CA . 51541 1 131 . 1 . 1 38 38 LEU N N 15 120.8 0.05 . 1 . . . . . 35 LEU N . 51541 1 132 . 1 . 1 39 39 LYS H H 1 7.9 0.05 . 1 . . . . . 36 LYS H . 51541 1 133 . 1 . 1 39 39 LYS C C 13 175.1 0.05 . 1 . . . . . 36 LYS C . 51541 1 134 . 1 . 1 39 39 LYS CA C 13 55.8 0.05 . 1 . . . . . 36 LYS CA . 51541 1 135 . 1 . 1 39 39 LYS N N 15 117.3 0.05 . 1 . . . . . 36 LYS N . 51541 1 136 . 1 . 1 40 40 ASP H H 1 8.0 0.05 . 1 . . . . . 37 ASP H . 51541 1 137 . 1 . 1 40 40 ASP C C 13 175.0 0.05 . 1 . . . . . 37 ASP C . 51541 1 138 . 1 . 1 40 40 ASP CA C 13 52.6 0.05 . 1 . . . . . 37 ASP CA . 51541 1 139 . 1 . 1 40 40 ASP N N 15 116.6 0.05 . 1 . . . . . 37 ASP N . 51541 1 140 . 1 . 1 41 41 ASP H H 1 8.2 0.05 . 1 . . . . . 38 ASP H . 51541 1 141 . 1 . 1 41 41 ASP CA C 13 51.3 0.05 . 1 . . . . . 38 ASP CA . 51541 1 142 . 1 . 1 41 41 ASP N N 15 116.6 0.05 . 1 . . . . . 38 ASP N . 51541 1 143 . 1 . 1 42 42 PRO C C 13 176.9 0.05 . 1 . . . . . 39 PRO C . 51541 1 144 . 1 . 1 42 42 PRO CA C 13 63.4 0.05 . 1 . . . . . 39 PRO CA . 51541 1 145 . 1 . 1 43 43 SER H H 1 8.1 0.05 . 1 . . . . . 40 SER H . 51541 1 146 . 1 . 1 43 43 SER C C 13 175.9 0.05 . 1 . . . . . 40 SER C . 51541 1 147 . 1 . 1 43 43 SER CA C 13 59.6 0.05 . 1 . . . . . 40 SER CA . 51541 1 148 . 1 . 1 43 43 SER N N 15 112.8 0.05 . 1 . . . . . 40 SER N . 51541 1 149 . 1 . 1 44 44 GLN H H 1 8.0 0.05 . 1 . . . . . 41 GLN H . 51541 1 150 . 1 . 1 44 44 GLN C C 13 177.0 0.05 . 1 . . . . . 41 GLN C . 51541 1 151 . 1 . 1 44 44 GLN CA C 13 56.4 0.05 . 1 . . . . . 41 GLN CA . 51541 1 152 . 1 . 1 44 44 GLN N N 15 119.2 0.05 . 1 . . . . . 41 GLN N . 51541 1 153 . 1 . 1 45 45 SER H H 1 8.0 0.05 . 1 . . . . . 42 SER H . 51541 1 154 . 1 . 1 45 45 SER C C 13 175.4 0.05 . 1 . . . . . 42 SER C . 51541 1 155 . 1 . 1 45 45 SER CA C 13 59.7 0.05 . 1 . . . . . 42 SER CA . 51541 1 156 . 1 . 1 45 45 SER N N 15 113.8 0.05 . 1 . . . . . 42 SER N . 51541 1 157 . 1 . 1 46 46 ALA H H 1 8.1 0.05 . 1 . . . . . 43 ALA H . 51541 1 158 . 1 . 1 46 46 ALA C C 13 178.1 0.05 . 1 . . . . . 43 ALA C . 51541 1 159 . 1 . 1 46 46 ALA CA C 13 53.1 0.05 . 1 . . . . . 43 ALA CA . 51541 1 160 . 1 . 1 46 46 ALA N N 15 122.7 0.05 . 1 . . . . . 43 ALA N . 51541 1 161 . 1 . 1 47 47 ASN H H 1 8.1 0.05 . 1 . . . . . 44 ASN H . 51541 1 162 . 1 . 1 47 47 ASN C C 13 177.1 0.05 . 1 . . . . . 44 ASN C . 51541 1 163 . 1 . 1 47 47 ASN CA C 13 54.4 0.05 . 1 . . . . . 44 ASN CA . 51541 1 164 . 1 . 1 47 47 ASN N N 15 116.1 0.05 . 1 . . . . . 44 ASN N . 51541 1 165 . 1 . 1 48 48 LEU H H 1 8.1 0.05 . 1 . . . . . 45 LEU H . 51541 1 166 . 1 . 1 48 48 LEU C C 13 178.5 0.05 . 1 . . . . . 45 LEU C . 51541 1 167 . 1 . 1 48 48 LEU CA C 13 56.5 0.05 . 1 . . . . . 45 LEU CA . 51541 1 168 . 1 . 1 48 48 LEU N N 15 120.0 0.05 . 1 . . . . . 45 LEU N . 51541 1 169 . 1 . 1 49 49 LEU H H 1 7.9 0.05 . 1 . . . . . 46 LEU H . 51541 1 170 . 1 . 1 49 49 LEU C C 13 178.0 0.05 . 1 . . . . . 46 LEU C . 51541 1 171 . 1 . 1 49 49 LEU CA C 13 56.0 0.05 . 1 . . . . . 46 LEU CA . 51541 1 172 . 1 . 1 49 49 LEU N N 15 117.9 0.05 . 1 . . . . . 46 LEU N . 51541 1 173 . 1 . 1 50 50 ALA H H 1 7.9 0.05 . 1 . . . . . 47 ALA H . 51541 1 174 . 1 . 1 50 50 ALA C C 13 178.5 0.05 . 1 . . . . . 47 ALA C . 51541 1 175 . 1 . 1 50 50 ALA CA C 13 53.5 0.05 . 1 . . . . . 47 ALA CA . 51541 1 176 . 1 . 1 50 50 ALA N N 15 119.8 0.05 . 1 . . . . . 47 ALA N . 51541 1 177 . 1 . 1 51 51 GLU H H 1 7.8 0.05 . 1 . . . . . 48 GLU H . 51541 1 178 . 1 . 1 51 51 GLU C C 13 176.9 0.05 . 1 . . . . . 48 GLU C . 51541 1 179 . 1 . 1 51 51 GLU CA C 13 56.9 0.05 . 1 . . . . . 48 GLU CA . 51541 1 180 . 1 . 1 51 51 GLU N N 15 115.3 0.05 . 1 . . . . . 48 GLU N . 51541 1 181 . 1 . 1 52 52 ALA H H 1 7.9 0.05 . 1 . . . . . 49 ALA H . 51541 1 182 . 1 . 1 52 52 ALA C C 13 178.1 0.05 . 1 . . . . . 49 ALA C . 51541 1 183 . 1 . 1 52 52 ALA CA C 13 53.2 0.05 . 1 . . . . . 49 ALA CA . 51541 1 184 . 1 . 1 52 52 ALA N N 15 120.3 0.05 . 1 . . . . . 49 ALA N . 51541 1 185 . 1 . 1 53 53 LYS H H 1 7.9 0.05 . 1 . . . . . 50 LYS H . 51541 1 186 . 1 . 1 53 53 LYS C C 13 177.0 0.05 . 1 . . . . . 50 LYS C . 51541 1 187 . 1 . 1 53 53 LYS CA C 13 57.2 0.05 . 1 . . . . . 50 LYS CA . 51541 1 188 . 1 . 1 53 53 LYS N N 15 116.2 0.05 . 1 . . . . . 50 LYS N . 51541 1 189 . 1 . 1 54 54 LYS H H 1 7.8 0.05 . 1 . . . . . 51 LYS H . 51541 1 190 . 1 . 1 54 54 LYS C C 13 176.8 0.05 . 1 . . . . . 51 LYS C . 51541 1 191 . 1 . 1 54 54 LYS CA C 13 57.0 0.05 . 1 . . . . . 51 LYS CA . 51541 1 192 . 1 . 1 54 54 LYS N N 15 117.3 0.05 . 1 . . . . . 51 LYS N . 51541 1 193 . 1 . 1 55 55 LEU H H 1 7.8 0.05 . 1 . . . . . 52 LEU H . 51541 1 194 . 1 . 1 55 55 LEU C C 13 177.1 0.05 . 1 . . . . . 52 LEU C . 51541 1 195 . 1 . 1 55 55 LEU CA C 13 55.0 0.05 . 1 . . . . . 52 LEU CA . 51541 1 196 . 1 . 1 55 55 LEU N N 15 117.8 0.05 . 1 . . . . . 52 LEU N . 51541 1 197 . 1 . 1 56 56 ASN H H 1 7.9 0.05 . 1 . . . . . 53 ASN H . 51541 1 198 . 1 . 1 56 56 ASN C C 13 173.6 0.05 . 1 . . . . . 53 ASN C . 51541 1 199 . 1 . 1 56 56 ASN CA C 13 53.5 0.05 . 1 . . . . . 53 ASN CA . 51541 1 200 . 1 . 1 56 56 ASN N N 15 116.0 0.05 . 1 . . . . . 53 ASN N . 51541 1 201 . 1 . 1 57 57 ASP H H 1 8.1 0.05 . 1 . . . . . 54 ASP H . 51541 1 202 . 1 . 1 57 57 ASP C C 13 175.2 0.05 . 1 . . . . . 54 ASP C . 51541 1 203 . 1 . 1 57 57 ASP CA C 13 53.1 0.05 . 1 . . . . . 54 ASP CA . 51541 1 204 . 1 . 1 57 57 ASP N N 15 116.8 0.05 . 1 . . . . . 54 ASP N . 51541 1 205 . 1 . 1 58 58 ALA H H 1 7.8 0.05 . 1 . . . . . 55 ALA H . 51541 1 206 . 1 . 1 58 58 ALA C C 13 176.8 0.05 . 1 . . . . . 55 ALA C . 51541 1 207 . 1 . 1 58 58 ALA CA C 13 52.2 0.05 . 1 . . . . . 55 ALA CA . 51541 1 208 . 1 . 1 58 58 ALA N N 15 119.6 0.05 . 1 . . . . . 55 ALA N . 51541 1 209 . 1 . 1 59 59 GLN H H 1 7.8 0.05 . 1 . . . . . 56 GLN H . 51541 1 210 . 1 . 1 59 59 GLN C C 13 175.3 0.05 . 1 . . . . . 56 GLN C . 51541 1 211 . 1 . 1 59 59 GLN CA C 13 55.2 0.05 . 1 . . . . . 56 GLN CA . 51541 1 212 . 1 . 1 59 59 GLN N N 15 115.2 0.05 . 1 . . . . . 56 GLN N . 51541 1 213 . 1 . 1 60 60 ALA H H 1 7.9 0.05 . 1 . . . . . 57 ALA H . 51541 1 214 . 1 . 1 60 60 ALA CA C 13 49.9 0.05 . 1 . . . . . 57 ALA CA . 51541 1 215 . 1 . 1 60 60 ALA N N 15 121.5 0.05 . 1 . . . . . 57 ALA N . 51541 1 216 . 1 . 1 61 61 PRO CA C 13 62.5 0.05 . 1 . . . . . 58 PRO CA . 51541 1 217 . 1 . 1 62 62 LYS H H 1 8.1 0.05 . 1 . . . . . 59 LYS H . 51541 1 218 . 1 . 1 62 62 LYS CA C 13 54.8 0.05 . 1 . . . . . 59 LYS CA . 51541 1 219 . 1 . 1 62 62 LYS N N 15 116.9 0.05 . 1 . . . . . 59 LYS N . 51541 1 stop_ save_