################################### # 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 52492 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name eya3 _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 CBCA(CO)NH' . . . 52492 1 2 '3D HNCA' . . . 52492 1 3 '3D HNCACB' . . . 52492 1 4 '3D HN(CA)CO' . . . 52492 1 5 '3D HNCO' . . . 52492 1 6 '3D HN(CO)CA' . . . 52492 1 7 '2D 1H-15N HSQC' . . . 52492 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 . . 52492 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 HIS C C 13 172.114 0.3 . 1 . . . . . 2 HIS C . 52492 1 2 . 1 . 1 1 1 HIS CA C 13 52.986 0.3 . 1 . . . . . 2 HIS CA . 52492 1 3 . 1 . 1 1 1 HIS CB C 13 27.457 0.3 . 1 . . . . . 2 HIS CB . 52492 1 4 . 1 . 1 2 2 MET H H 1 8.373 0.020 . 1 . . . . . 3 MET H . 52492 1 5 . 1 . 1 2 2 MET C C 13 173.115 0.3 . 1 . . . . . 3 MET C . 52492 1 6 . 1 . 1 2 2 MET CA C 13 52.648 0.3 . 1 . . . . . 3 MET CA . 52492 1 7 . 1 . 1 2 2 MET CB C 13 29.821 0.3 . 1 . . . . . 3 MET CB . 52492 1 8 . 1 . 1 2 2 MET N N 15 122.646 0.3 . 1 . . . . . 3 MET N . 52492 1 9 . 1 . 1 3 3 ARG H H 1 8.426 0.020 . 1 . . . . . 4 ARG H . 52492 1 10 . 1 . 1 3 3 ARG C C 13 173.376 0.3 . 1 . . . . . 4 ARG C . 52492 1 11 . 1 . 1 3 3 ARG CA C 13 53.179 0.3 . 1 . . . . . 4 ARG CA . 52492 1 12 . 1 . 1 3 3 ARG CB C 13 27.891 0.3 . 1 . . . . . 4 ARG CB . 52492 1 13 . 1 . 1 3 3 ARG N N 15 123.411 0.3 . 1 . . . . . 4 ARG N . 52492 1 14 . 1 . 1 4 4 SER H H 1 8.350 0.020 . 1 . . . . . 5 SER H . 52492 1 15 . 1 . 1 4 4 SER C C 13 171.836 0.3 . 1 . . . . . 5 SER C . 52492 1 16 . 1 . 1 4 4 SER CA C 13 55.254 0.3 . 1 . . . . . 5 SER CA . 52492 1 17 . 1 . 1 4 4 SER CB C 13 60.997 0.3 . 1 . . . . . 5 SER CB . 52492 1 18 . 1 . 1 4 4 SER N N 15 117.551 0.3 . 1 . . . . . 5 SER N . 52492 1 19 . 1 . 1 5 5 SER H H 1 8.286 0.020 . 1 . . . . . 6 SER H . 52492 1 20 . 1 . 1 5 5 SER C C 13 171.569 0.3 . 1 . . . . . 6 SER C . 52492 1 21 . 1 . 1 5 5 SER CA C 13 55.640 0.3 . 1 . . . . . 6 SER CA . 52492 1 22 . 1 . 1 5 5 SER CB C 13 60.804 0.3 . 1 . . . . . 6 SER CB . 52492 1 23 . 1 . 1 5 5 SER N N 15 117.772 0.3 . 1 . . . . . 6 SER N . 52492 1 24 . 1 . 1 6 6 ASN H H 1 8.228 0.020 . 1 . . . . . 7 ASN H . 52492 1 25 . 1 . 1 6 6 ASN C C 13 171.831 0.3 . 1 . . . . . 7 ASN C . 52492 1 26 . 1 . 1 6 6 ASN CA C 13 50.409 0.3 . 1 . . . . . 7 ASN CA . 52492 1 27 . 1 . 1 6 6 ASN CB C 13 35.805 0.3 . 1 . . . . . 7 ASN CB . 52492 1 28 . 1 . 1 6 6 ASN N N 15 119.967 0.3 . 1 . . . . . 7 ASN N . 52492 1 29 . 1 . 1 7 7 ASP H H 1 7.910 0.020 . 1 . . . . . 8 ASP H . 52492 1 30 . 1 . 1 7 7 ASP C C 13 173.273 0.3 . 1 . . . . . 8 ASP C . 52492 1 31 . 1 . 1 7 7 ASP CA C 13 51.345 0.3 . 1 . . . . . 8 ASP CA . 52492 1 32 . 1 . 1 7 7 ASP CB C 13 37.881 0.3 . 1 . . . . . 8 ASP CB . 52492 1 33 . 1 . 1 7 7 ASP N N 15 119.943 0.3 . 1 . . . . . 8 ASP N . 52492 1 34 . 1 . 1 8 8 TYR H H 1 7.989 0.020 . 1 . . . . . 9 TYR H . 52492 1 35 . 1 . 1 8 8 TYR C C 13 173.561 0.3 . 1 . . . . . 9 TYR C . 52492 1 36 . 1 . 1 8 8 TYR CA C 13 55.592 0.3 . 1 . . . . . 9 TYR CA . 52492 1 37 . 1 . 1 8 8 TYR CB C 13 35.323 0.3 . 1 . . . . . 9 TYR CB . 52492 1 38 . 1 . 1 8 8 TYR N N 15 120.819 0.3 . 1 . . . . . 9 TYR N . 52492 1 39 . 1 . 1 9 9 THR H H 1 7.869 0.020 . 1 . . . . . 10 THR H . 52492 1 40 . 1 . 1 9 9 THR C C 13 172.081 0.3 . 1 . . . . . 10 THR C . 52492 1 41 . 1 . 1 9 9 THR CA C 13 59.742 0.3 . 1 . . . . . 10 THR CA . 52492 1 42 . 1 . 1 9 9 THR CB C 13 66.836 0.3 . 1 . . . . . 10 THR CB . 52492 1 43 . 1 . 1 9 9 THR N N 15 114.619 0.3 . 1 . . . . . 10 THR N . 52492 1 44 . 1 . 1 10 10 SER H H 1 8.049 0.020 . 1 . . . . . 11 SER H . 52492 1 45 . 1 . 1 10 10 SER C C 13 172.103 0.3 . 1 . . . . . 11 SER C . 52492 1 46 . 1 . 1 10 10 SER CA C 13 56.074 0.3 . 1 . . . . . 11 SER CA . 52492 1 47 . 1 . 1 10 10 SER CB C 13 60.659 0.3 . 1 . . . . . 11 SER CB . 52492 1 48 . 1 . 1 10 10 SER N N 15 117.458 0.3 . 1 . . . . . 11 SER N . 52492 1 49 . 1 . 1 11 11 GLN H H 1 8.117 0.020 . 1 . . . . . 12 GLN H . 52492 1 50 . 1 . 1 11 11 GLN C C 13 173.322 0.3 . 1 . . . . . 12 GLN C . 52492 1 51 . 1 . 1 11 11 GLN CA C 13 53.420 0.3 . 1 . . . . . 12 GLN CA . 52492 1 52 . 1 . 1 11 11 GLN CB C 13 26.057 0.3 . 1 . . . . . 12 GLN CB . 52492 1 53 . 1 . 1 11 11 GLN N N 15 121.594 0.3 . 1 . . . . . 12 GLN N . 52492 1 54 . 1 . 1 12 12 MET H H 1 7.957 0.020 . 1 . . . . . 13 MET H . 52492 1 55 . 1 . 1 12 12 MET C C 13 173.251 0.3 . 1 . . . . . 13 MET C . 52492 1 56 . 1 . 1 12 12 MET CA C 13 52.937 0.3 . 1 . . . . . 13 MET CA . 52492 1 57 . 1 . 1 12 12 MET CB C 13 29.628 0.3 . 1 . . . . . 13 MET CB . 52492 1 58 . 1 . 1 12 12 MET N N 15 120.116 0.3 . 1 . . . . . 13 MET N . 52492 1 59 . 1 . 1 13 13 TYR H H 1 7.914 0.020 . 1 . . . . . 14 TYR H . 52492 1 60 . 1 . 1 13 13 TYR C C 13 172.897 0.3 . 1 . . . . . 14 TYR C . 52492 1 61 . 1 . 1 13 13 TYR CA C 13 55.157 0.3 . 1 . . . . . 14 TYR CA . 52492 1 62 . 1 . 1 13 13 TYR CB C 13 35.468 0.3 . 1 . . . . . 14 TYR CB . 52492 1 63 . 1 . 1 13 13 TYR N N 15 120.409 0.3 . 1 . . . . . 14 TYR N . 52492 1 64 . 1 . 1 14 14 SER H H 1 7.809 0.020 . 1 . . . . . 15 SER H . 52492 1 65 . 1 . 1 14 14 SER C C 13 170.851 0.3 . 1 . . . . . 15 SER C . 52492 1 66 . 1 . 1 14 14 SER CA C 13 55.109 0.3 . 1 . . . . . 15 SER CA . 52492 1 67 . 1 . 1 14 14 SER CB C 13 60.997 0.3 . 1 . . . . . 15 SER CB . 52492 1 68 . 1 . 1 14 14 SER N N 15 117.155 0.3 . 1 . . . . . 15 SER N . 52492 1 69 . 1 . 1 15 15 ALA H H 1 8.044 0.020 . 1 . . . . . 16 ALA H . 52492 1 70 . 1 . 1 15 15 ALA C C 13 174.497 0.3 . 1 . . . . . 16 ALA C . 52492 1 71 . 1 . 1 15 15 ALA CA C 13 49.463 0.3 . 1 . . . . . 16 ALA CA . 52492 1 72 . 1 . 1 15 15 ALA CB C 13 16.261 0.3 . 1 . . . . . 16 ALA CB . 52492 1 73 . 1 . 1 15 15 ALA N N 15 125.783 0.3 . 1 . . . . . 16 ALA N . 52492 1 74 . 1 . 1 16 16 LYS H H 1 7.998 0.020 . 1 . . . . . 17 LYS H . 52492 1 75 . 1 . 1 16 16 LYS C C 13 171.645 0.3 . 1 . . . . . 17 LYS C . 52492 1 76 . 1 . 1 16 16 LYS CA C 13 51.297 0.3 . 1 . . . . . 17 LYS CA . 52492 1 77 . 1 . 1 16 16 LYS CB C 13 29.435 0.3 . 1 . . . . . 17 LYS CB . 52492 1 78 . 1 . 1 16 16 LYS N N 15 121.399 0.3 . 1 . . . . . 17 LYS N . 52492 1 79 . 1 . 1 17 17 PRO C C 13 173.697 0.3 . 1 . . . . . 18 PRO C . 52492 1 80 . 1 . 1 17 17 PRO CA C 13 60.080 0.3 . 1 . . . . . 18 PRO CA . 52492 1 81 . 1 . 1 17 17 PRO CB C 13 28.808 0.3 . 1 . . . . . 18 PRO CB . 52492 1 82 . 1 . 1 18 18 TYR H H 1 7.970 0.020 . 1 . . . . . 19 TYR H . 52492 1 83 . 1 . 1 18 18 TYR C C 13 172.571 0.3 . 1 . . . . . 19 TYR C . 52492 1 84 . 1 . 1 18 18 TYR CA C 13 54.675 0.3 . 1 . . . . . 19 TYR CA . 52492 1 85 . 1 . 1 18 18 TYR CB C 13 35.468 0.3 . 1 . . . . . 19 TYR CB . 52492 1 86 . 1 . 1 18 18 TYR N N 15 119.782 0.3 . 1 . . . . . 19 TYR N . 52492 1 87 . 1 . 1 19 19 ALA H H 1 7.827 0.020 . 1 . . . . . 20 ALA H . 52492 1 88 . 1 . 1 19 19 ALA C C 13 173.986 0.3 . 1 . . . . . 20 ALA C . 52492 1 89 . 1 . 1 19 19 ALA CA C 13 49.414 0.3 . 1 . . . . . 20 ALA CA . 52492 1 90 . 1 . 1 19 19 ALA CB C 13 16.405 0.3 . 1 . . . . . 20 ALA CB . 52492 1 91 . 1 . 1 19 19 ALA N N 15 125.423 0.3 . 1 . . . . . 20 ALA N . 52492 1 92 . 1 . 1 20 20 HIS H H 1 8.065 0.020 . 1 . . . . . 21 HIS H . 52492 1 93 . 1 . 1 20 20 HIS C C 13 171.841 0.3 . 1 . . . . . 21 HIS C . 52492 1 94 . 1 . 1 20 20 HIS CA C 13 52.744 0.3 . 1 . . . . . 21 HIS CA . 52492 1 95 . 1 . 1 20 20 HIS CB C 13 26.926 0.3 . 1 . . . . . 21 HIS CB . 52492 1 96 . 1 . 1 20 20 HIS N N 15 118.443 0.3 . 1 . . . . . 21 HIS N . 52492 1 97 . 1 . 1 21 21 ILE H H 1 7.902 0.020 . 1 . . . . . 22 ILE H . 52492 1 98 . 1 . 1 21 21 ILE C C 13 173.077 0.3 . 1 . . . . . 22 ILE C . 52492 1 99 . 1 . 1 21 21 ILE CA C 13 58.198 0.3 . 1 . . . . . 22 ILE CA . 52492 1 100 . 1 . 1 21 21 ILE CB C 13 35.612 0.3 . 1 . . . . . 22 ILE CB . 52492 1 101 . 1 . 1 21 21 ILE N N 15 122.799 0.3 . 1 . . . . . 22 ILE N . 52492 1 102 . 1 . 1 22 22 LEU H H 1 8.212 0.020 . 1 . . . . . 23 LEU H . 52492 1 103 . 1 . 1 22 22 LEU C C 13 174.225 0.3 . 1 . . . . . 23 LEU C . 52492 1 104 . 1 . 1 22 22 LEU CA C 13 52.069 0.3 . 1 . . . . . 23 LEU CA . 52492 1 105 . 1 . 1 22 22 LEU CB C 13 39.328 0.3 . 1 . . . . . 23 LEU CB . 52492 1 106 . 1 . 1 22 22 LEU N N 15 126.458 0.3 . 1 . . . . . 23 LEU N . 52492 1 107 . 1 . 1 23 23 SER H H 1 8.122 0.020 . 1 . . . . . 24 SER H . 52492 1 108 . 1 . 1 23 23 SER C C 13 170.998 0.3 . 1 . . . . . 24 SER C . 52492 1 109 . 1 . 1 23 23 SER CA C 13 55.254 0.3 . 1 . . . . . 24 SER CA . 52492 1 110 . 1 . 1 23 23 SER CB C 13 60.755 0.3 . 1 . . . . . 24 SER CB . 52492 1 111 . 1 . 1 23 23 SER N N 15 117.337 0.3 . 1 . . . . . 24 SER N . 52492 1 112 . 1 . 1 24 24 VAL H H 1 7.938 0.020 . 1 . . . . . 25 VAL H . 52492 1 113 . 1 . 1 24 24 VAL C C 13 171.379 0.3 . 1 . . . . . 25 VAL C . 52492 1 114 . 1 . 1 24 24 VAL CA C 13 56.846 0.3 . 1 . . . . . 25 VAL CA . 52492 1 115 . 1 . 1 24 24 VAL CB C 13 29.725 0.3 . 1 . . . . . 25 VAL CB . 52492 1 116 . 1 . 1 24 24 VAL N N 15 123.267 0.3 . 1 . . . . . 25 VAL N . 52492 1 117 . 1 . 1 25 25 PRO C C 13 174.029 0.3 . 1 . . . . . 26 PRO C . 52492 1 118 . 1 . 1 25 25 PRO CA C 13 60.106 0.3 . 1 . . . . . 26 PRO CA . 52492 1 119 . 1 . 1 25 25 PRO CB C 13 29.194 0.3 . 1 . . . . . 26 PRO CB . 52492 1 120 . 1 . 1 26 26 VAL H H 1 8.149 0.020 . 1 . . . . . 27 VAL H . 52492 1 121 . 1 . 1 26 26 VAL C C 13 173.544 0.3 . 1 . . . . . 27 VAL C . 52492 1 122 . 1 . 1 26 26 VAL CA C 13 59.790 0.3 . 1 . . . . . 27 VAL CA . 52492 1 123 . 1 . 1 26 26 VAL CB C 13 29.532 0.3 . 1 . . . . . 27 VAL CB . 52492 1 124 . 1 . 1 26 26 VAL N N 15 120.670 0.3 . 1 . . . . . 27 VAL N . 52492 1 125 . 1 . 1 27 27 SER H H 1 8.205 0.020 . 1 . . . . . 28 SER H . 52492 1 126 . 1 . 1 27 27 SER C C 13 171.727 0.3 . 1 . . . . . 28 SER C . 52492 1 127 . 1 . 1 27 27 SER CA C 13 55.350 0.3 . 1 . . . . . 28 SER CA . 52492 1 128 . 1 . 1 27 27 SER CB C 13 60.900 0.3 . 1 . . . . . 28 SER CB . 52492 1 129 . 1 . 1 27 27 SER N N 15 119.068 0.3 . 1 . . . . . 28 SER N . 52492 1 130 . 1 . 1 28 28 GLU H H 1 8.364 0.020 . 1 . . . . . 29 GLU H . 52492 1 131 . 1 . 1 28 28 GLU C C 13 173.654 0.3 . 1 . . . . . 29 GLU C . 52492 1 132 . 1 . 1 28 28 GLU CA C 13 53.854 0.3 . 1 . . . . . 29 GLU CA . 52492 1 133 . 1 . 1 28 28 GLU CB C 13 27.264 0.3 . 1 . . . . . 29 GLU CB . 52492 1 134 . 1 . 1 28 28 GLU N N 15 123.254 0.3 . 1 . . . . . 29 GLU N . 52492 1 135 . 1 . 1 29 29 THR H H 1 7.947 0.020 . 1 . . . . . 30 THR H . 52492 1 136 . 1 . 1 29 29 THR C C 13 170.927 0.3 . 1 . . . . . 30 THR C . 52492 1 137 . 1 . 1 29 29 THR CA C 13 58.970 0.3 . 1 . . . . . 30 THR CA . 52492 1 138 . 1 . 1 29 29 THR CB C 13 66.788 0.3 . 1 . . . . . 30 THR CB . 52492 1 139 . 1 . 1 29 29 THR N N 15 114.966 0.3 . 1 . . . . . 30 THR N . 52492 1 140 . 1 . 1 30 30 ALA H H 1 8.029 0.020 . 1 . . . . . 31 ALA H . 52492 1 141 . 1 . 1 30 30 ALA C C 13 173.975 0.3 . 1 . . . . . 31 ALA C . 52492 1 142 . 1 . 1 30 30 ALA CA C 13 49.318 0.3 . 1 . . . . . 31 ALA CA . 52492 1 143 . 1 . 1 30 30 ALA CB C 13 16.454 0.3 . 1 . . . . . 31 ALA CB . 52492 1 144 . 1 . 1 30 30 ALA N N 15 126.493 0.3 . 1 . . . . . 31 ALA N . 52492 1 145 . 1 . 1 31 31 TYR H H 1 7.912 0.020 . 1 . . . . . 32 TYR H . 52492 1 146 . 1 . 1 31 31 TYR C C 13 171.118 0.3 . 1 . . . . . 32 TYR C . 52492 1 147 . 1 . 1 31 31 TYR CA C 13 52.744 0.3 . 1 . . . . . 32 TYR CA . 52492 1 148 . 1 . 1 31 31 TYR CB C 13 35.371 0.3 . 1 . . . . . 32 TYR CB . 52492 1 149 . 1 . 1 31 31 TYR N N 15 120.068 0.3 . 1 . . . . . 32 TYR N . 52492 1 150 . 1 . 1 32 32 PRO C C 13 174.677 0.3 . 1 . . . . . 33 PRO C . 52492 1 151 . 1 . 1 32 32 PRO CA C 13 60.804 0.3 . 1 . . . . . 33 PRO CA . 52492 1 152 . 1 . 1 32 32 PRO CB C 13 28.856 0.3 . 1 . . . . . 33 PRO CB . 52492 1 153 . 1 . 1 33 33 GLY H H 1 8.133 0.020 . 1 . . . . . 34 GLY H . 52492 1 154 . 1 . 1 33 33 GLY C C 13 171.362 0.3 . 1 . . . . . 34 GLY C . 52492 1 155 . 1 . 1 33 33 GLY CA C 13 42.272 0.3 . 1 . . . . . 34 GLY CA . 52492 1 156 . 1 . 1 33 33 GLY N N 15 109.390 0.3 . 1 . . . . . 34 GLY N . 52492 1 157 . 1 . 1 34 34 GLN H H 1 7.911 0.020 . 1 . . . . . 35 GLN H . 52492 1 158 . 1 . 1 34 34 GLN C C 13 173.605 0.3 . 1 . . . . . 35 GLN C . 52492 1 159 . 1 . 1 34 34 GLN CA C 13 52.889 0.3 . 1 . . . . . 35 GLN CA . 52492 1 160 . 1 . 1 34 34 GLN CB C 13 26.491 0.3 . 1 . . . . . 35 GLN CB . 52492 1 161 . 1 . 1 34 34 GLN N N 15 119.707 0.3 . 1 . . . . . 35 GLN N . 52492 1 162 . 1 . 1 35 35 THR H H 1 8.142 0.020 . 1 . . . . . 36 THR H . 52492 1 163 . 1 . 1 35 35 THR C C 13 171.686 0.3 . 1 . . . . . 36 THR C . 52492 1 164 . 1 . 1 35 35 THR CA C 13 59.597 0.3 . 1 . . . . . 36 THR CA . 52492 1 165 . 1 . 1 35 35 THR CB C 13 66.788 0.3 . 1 . . . . . 36 THR CB . 52492 1 166 . 1 . 1 35 35 THR N N 15 115.966 0.3 . 1 . . . . . 36 THR N . 52492 1 167 . 1 . 1 36 36 GLN H H 1 8.292 0.020 . 1 . . . . . 37 GLN H . 52492 1 168 . 1 . 1 36 36 GLN C C 13 172.854 0.3 . 1 . . . . . 37 GLN C . 52492 1 169 . 1 . 1 36 36 GLN CA C 13 53.179 0.3 . 1 . . . . . 37 GLN CA . 52492 1 170 . 1 . 1 36 36 GLN CB C 13 26.202 0.3 . 1 . . . . . 37 GLN CB . 52492 1 171 . 1 . 1 36 36 GLN N N 15 122.373 0.3 . 1 . . . . . 37 GLN N . 52492 1 172 . 1 . 1 37 37 TYR H H 1 8.013 0.020 . 1 . . . . . 38 TYR H . 52492 1 173 . 1 . 1 37 37 TYR C C 13 172.946 0.3 . 1 . . . . . 38 TYR C . 52492 1 174 . 1 . 1 37 37 TYR CA C 13 55.350 0.3 . 1 . . . . . 38 TYR CA . 52492 1 175 . 1 . 1 37 37 TYR CB C 13 35.612 0.3 . 1 . . . . . 38 TYR CB . 52492 1 176 . 1 . 1 37 37 TYR N N 15 120.885 0.3 . 1 . . . . . 38 TYR N . 52492 1 177 . 1 . 1 38 38 GLN H H 1 8.063 0.020 . 1 . . . . . 39 GLN H . 52492 1 178 . 1 . 1 38 38 GLN C C 13 173.115 0.3 . 1 . . . . . 39 GLN C . 52492 1 179 . 1 . 1 38 38 GLN CA C 13 52.986 0.3 . 1 . . . . . 39 GLN CA . 52492 1 180 . 1 . 1 38 38 GLN CB C 13 26.540 0.3 . 1 . . . . . 39 GLN CB . 52492 1 181 . 1 . 1 38 38 GLN N N 15 121.376 0.3 . 1 . . . . . 39 GLN N . 52492 1 182 . 1 . 1 39 39 THR H H 1 8.010 0.020 . 1 . . . . . 40 THR H . 52492 1 183 . 1 . 1 39 39 THR C C 13 171.852 0.3 . 1 . . . . . 40 THR C . 52492 1 184 . 1 . 1 39 39 THR CA C 13 59.404 0.3 . 1 . . . . . 40 THR CA . 52492 1 185 . 1 . 1 39 39 THR CB C 13 66.836 0.3 . 1 . . . . . 40 THR CB . 52492 1 186 . 1 . 1 39 39 THR N N 15 115.540 0.3 . 1 . . . . . 40 THR N . 52492 1 187 . 1 . 1 40 40 LEU H H 1 8.104 0.020 . 1 . . . . . 41 LEU H . 52492 1 188 . 1 . 1 40 40 LEU C C 13 174.546 0.3 . 1 . . . . . 41 LEU C . 52492 1 189 . 1 . 1 40 40 LEU CA C 13 52.696 0.3 . 1 . . . . . 41 LEU CA . 52492 1 190 . 1 . 1 40 40 LEU CB C 13 39.135 0.3 . 1 . . . . . 41 LEU CB . 52492 1 191 . 1 . 1 40 40 LEU N N 15 124.172 0.3 . 1 . . . . . 41 LEU N . 52492 1 192 . 1 . 1 41 41 GLN H H 1 8.159 0.020 . 1 . . . . . 42 GLN H . 52492 1 193 . 1 . 1 41 41 GLN C C 13 173.215 0.3 . 1 . . . . . 42 GLN C . 52492 1 194 . 1 . 1 41 41 GLN CA C 13 52.937 0.3 . 1 . . . . . 42 GLN CA . 52492 1 195 . 1 . 1 41 41 GLN CB C 13 26.298 0.3 . 1 . . . . . 42 GLN CB . 52492 1 196 . 1 . 1 41 41 GLN N N 15 120.741 0.3 . 1 . . . . . 42 GLN N . 52492 1 197 . 1 . 1 42 42 GLN H H 1 8.171 0.020 . 1 . . . . . 43 GLN H . 52492 1 198 . 1 . 1 42 42 GLN C C 13 173.224 0.3 . 1 . . . . . 43 GLN C . 52492 1 199 . 1 . 1 42 42 GLN CA C 13 52.889 0.3 . 1 . . . . . 43 GLN CA . 52492 1 200 . 1 . 1 42 42 GLN CB C 13 26.491 0.3 . 1 . . . . . 43 GLN CB . 52492 1 201 . 1 . 1 42 42 GLN N N 15 121.118 0.3 . 1 . . . . . 43 GLN N . 52492 1 202 . 1 . 1 43 43 THR H H 1 8.037 0.020 . 1 . . . . . 44 THR H . 52492 1 203 . 1 . 1 43 43 THR C C 13 171.433 0.3 . 1 . . . . . 44 THR C . 52492 1 204 . 1 . 1 43 43 THR CA C 13 59.211 0.3 . 1 . . . . . 44 THR CA . 52492 1 205 . 1 . 1 43 43 THR CB C 13 66.836 0.3 . 1 . . . . . 44 THR CB . 52492 1 206 . 1 . 1 43 43 THR N N 15 115.339 0.3 . 1 . . . . . 44 THR N . 52492 1 207 . 1 . 1 44 44 GLN H H 1 8.210 0.020 . 1 . . . . . 45 GLN H . 52492 1 208 . 1 . 1 44 44 GLN C C 13 171.031 0.3 . 1 . . . . . 45 GLN C . 52492 1 209 . 1 . 1 44 44 GLN CA C 13 50.717 0.3 . 1 . . . . . 45 GLN CA . 52492 1 210 . 1 . 1 44 44 GLN CB C 13 25.816 0.3 . 1 . . . . . 45 GLN CB . 52492 1 211 . 1 . 1 44 44 GLN N N 15 123.453 0.3 . 1 . . . . . 45 GLN N . 52492 1 212 . 1 . 1 45 45 PRO C C 13 173.529 0.3 . 1 . . . . . 46 PRO C . 52492 1 213 . 1 . 1 45 45 PRO CA C 13 60.080 0.3 . 1 . . . . . 46 PRO CA . 52492 1 214 . 1 . 1 45 45 PRO CB C 13 28.904 0.3 . 1 . . . . . 46 PRO CB . 52492 1 215 . 1 . 1 46 46 TYR H H 1 7.900 0.020 . 1 . . . . . 47 TYR H . 52492 1 216 . 1 . 1 46 46 TYR C C 13 172.326 0.3 . 1 . . . . . 47 TYR C . 52492 1 217 . 1 . 1 46 46 TYR CA C 13 54.530 0.3 . 1 . . . . . 47 TYR CA . 52492 1 218 . 1 . 1 46 46 TYR CB C 13 35.612 0.3 . 1 . . . . . 47 TYR CB . 52492 1 219 . 1 . 1 46 46 TYR N N 15 119.656 0.3 . 1 . . . . . 47 TYR N . 52492 1 220 . 1 . 1 47 47 ALA H H 1 7.863 0.020 . 1 . . . . . 48 ALA H . 52492 1 221 . 1 . 1 47 47 ALA C C 13 173.806 0.3 . 1 . . . . . 48 ALA C . 52492 1 222 . 1 . 1 47 47 ALA CA C 13 49.125 0.3 . 1 . . . . . 48 ALA CA . 52492 1 223 . 1 . 1 47 47 ALA CB C 13 16.647 0.3 . 1 . . . . . 48 ALA CB . 52492 1 224 . 1 . 1 47 47 ALA N N 15 125.788 0.3 . 1 . . . . . 48 ALA N . 52492 1 225 . 1 . 1 48 48 VAL H H 1 7.810 0.020 . 1 . . . . . 49 VAL H . 52492 1 226 . 1 . 1 48 48 VAL C C 13 172.685 0.3 . 1 . . . . . 49 VAL C . 52492 1 227 . 1 . 1 48 48 VAL CA C 13 59.163 0.3 . 1 . . . . . 49 VAL CA . 52492 1 228 . 1 . 1 48 48 VAL CB C 13 30.014 0.3 . 1 . . . . . 49 VAL CB . 52492 1 229 . 1 . 1 48 48 VAL N N 15 119.584 0.3 . 1 . . . . . 49 VAL N . 52492 1 230 . 1 . 1 49 49 TYR H H 1 8.160 0.020 . 1 . . . . . 50 TYR H . 52492 1 231 . 1 . 1 49 49 TYR C C 13 172.310 0.3 . 1 . . . . . 50 TYR C . 52492 1 232 . 1 . 1 49 49 TYR CA C 13 54.675 0.3 . 1 . . . . . 50 TYR CA . 52492 1 233 . 1 . 1 49 49 TYR CB C 13 36.143 0.3 . 1 . . . . . 50 TYR CB . 52492 1 234 . 1 . 1 49 49 TYR N N 15 124.670 0.3 . 1 . . . . . 50 TYR N . 52492 1 235 . 1 . 1 50 50 GLU H H 1 8.050 0.020 . 1 . . . . . 51 GLU H . 52492 1 236 . 1 . 1 50 50 GLU C C 13 171.956 0.3 . 1 . . . . . 51 GLU C . 52492 1 237 . 1 . 1 50 50 GLU CA C 13 52.986 0.3 . 1 . . . . . 51 GLU CA . 52492 1 238 . 1 . 1 50 50 GLU CB C 13 27.891 0.3 . 1 . . . . . 51 GLU CB . 52492 1 239 . 1 . 1 50 50 GLU N N 15 124.048 0.3 . 1 . . . . . 51 GLU N . 52492 1 240 . 1 . 1 51 51 GLU H H 1 7.823 0.020 . 1 . . . . . 52 GLU H . 52492 1 241 . 1 . 1 51 51 GLU C C 13 172.244 0.3 . 1 . . . . . 52 GLU C . 52492 1 242 . 1 . 1 51 51 GLU CA C 13 55.157 0.3 . 1 . . . . . 52 GLU CA . 52492 1 243 . 1 . 1 51 51 GLU CB C 13 27.939 0.3 . 1 . . . . . 52 GLU CB . 52492 1 244 . 1 . 1 51 51 GLU N N 15 127.388 0.3 . 1 . . . . . 52 GLU N . 52492 1 stop_ save_