################################### # 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 52999 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name alpah-synuclein _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' . . . 52999 1 2 '3D HNCA' . . . 52999 1 3 '3D CBCA(CO)NH' . . . 52999 1 4 '3D HNCACB' . . . 52999 1 5 '5D HN(CA)CONH' . . . 52999 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 . . 52999 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 ASP H H 1 8.746 0.020 . 1 . . . . . 2 ASP H . 52999 1 2 . 1 . 1 2 2 ASP CA C 13 53.943 0.3 . 1 . . . . . 2 ASP CA . 52999 1 3 . 1 . 1 2 2 ASP CB C 13 41.073 0.3 . 1 . . . . . 2 ASP CB . 52999 1 4 . 1 . 1 2 2 ASP N N 15 122.040 0.3 . 1 . . . . . 2 ASP N . 52999 1 5 . 1 . 1 3 3 VAL H H 1 7.925 0.020 . 1 . . . . . 3 VAL H . 52999 1 6 . 1 . 1 3 3 VAL CA C 13 62.011 0.3 . 1 . . . . . 3 VAL CA . 52999 1 7 . 1 . 1 3 3 VAL CB C 13 32.714 0.3 . 1 . . . . . 3 VAL CB . 52999 1 8 . 1 . 1 3 3 VAL N N 15 116.118 0.3 . 1 . . . . . 3 VAL N . 52999 1 9 . 1 . 1 4 4 PHE H H 1 8.054 0.020 . 1 . . . . . 4 PHE H . 52999 1 10 . 1 . 1 4 4 PHE CA C 13 57.942 0.3 . 1 . . . . . 4 PHE CA . 52999 1 11 . 1 . 1 4 4 PHE CB C 13 39.364 0.3 . 1 . . . . . 4 PHE CB . 52999 1 12 . 1 . 1 4 4 PHE N N 15 120.684 0.3 . 1 . . . . . 4 PHE N . 52999 1 13 . 1 . 1 5 5 MET H H 1 8.049 0.020 . 1 . . . . . 5 MET H . 52999 1 14 . 1 . 1 5 5 MET CA C 13 56.198 0.3 . 1 . . . . . 5 MET CA . 52999 1 15 . 1 . 1 5 5 MET CB C 13 33.070 0.3 . 1 . . . . . 5 MET CB . 52999 1 16 . 1 . 1 5 5 MET N N 15 118.900 0.3 . 1 . . . . . 5 MET N . 52999 1 17 . 1 . 1 6 6 LYS H H 1 8.010 0.020 . 1 . . . . . 6 LYS H . 52999 1 18 . 1 . 1 6 6 LYS CA C 13 56.603 0.3 . 1 . . . . . 6 LYS CA . 52999 1 19 . 1 . 1 6 6 LYS CB C 13 33.553 0.3 . 1 . . . . . 6 LYS CB . 52999 1 20 . 1 . 1 6 6 LYS N N 15 119.611 0.3 . 1 . . . . . 6 LYS N . 52999 1 21 . 1 . 1 7 7 GLY H H 1 8.144 0.020 . 1 . . . . . 7 GLY H . 52999 1 22 . 1 . 1 7 7 GLY CA C 13 45.084 0.3 . 1 . . . . . 7 GLY CA . 52999 1 23 . 1 . 1 7 7 GLY N N 15 107.180 0.3 . 1 . . . . . 7 GLY N . 52999 1 24 . 1 . 1 8 8 LEU H H 1 7.964 0.020 . 1 . . . . . 8 LEU H . 52999 1 25 . 1 . 1 8 8 LEU CA C 13 55.152 0.3 . 1 . . . . . 8 LEU CA . 52999 1 26 . 1 . 1 8 8 LEU CB C 13 42.368 0.3 . 1 . . . . . 8 LEU CB . 52999 1 27 . 1 . 1 8 8 LEU N N 15 119.298 0.3 . 1 . . . . . 8 LEU N . 52999 1 28 . 1 . 1 9 9 SER H H 1 8.076 0.020 . 1 . . . . . 9 SER H . 52999 1 29 . 1 . 1 9 9 SER CA C 13 58.337 0.3 . 1 . . . . . 9 SER CA . 52999 1 30 . 1 . 1 9 9 SER CB C 13 63.836 0.3 . 1 . . . . . 9 SER CB . 52999 1 31 . 1 . 1 9 9 SER N N 15 115.342 0.3 . 1 . . . . . 9 SER N . 52999 1 32 . 1 . 1 10 10 LYS H H 1 7.989 0.020 . 1 . . . . . 10 LYS H . 52999 1 33 . 1 . 1 10 10 LYS CA C 13 56.640 0.3 . 1 . . . . . 10 LYS CA . 52999 1 34 . 1 . 1 10 10 LYS CB C 13 33.295 0.3 . 1 . . . . . 10 LYS CB . 52999 1 35 . 1 . 1 10 10 LYS N N 15 120.559 0.3 . 1 . . . . . 10 LYS N . 52999 1 36 . 1 . 1 11 11 ALA H H 1 8.006 0.020 . 1 . . . . . 11 ALA H . 52999 1 37 . 1 . 1 11 11 ALA CA C 13 52.571 0.3 . 1 . . . . . 11 ALA CA . 52999 1 38 . 1 . 1 11 11 ALA CB C 13 19.187 0.3 . 1 . . . . . 11 ALA CB . 52999 1 39 . 1 . 1 11 11 ALA N N 15 121.724 0.3 . 1 . . . . . 11 ALA N . 52999 1 40 . 1 . 1 12 12 LYS H H 1 7.981 0.020 . 1 . . . . . 12 LYS H . 52999 1 41 . 1 . 1 12 12 LYS CA C 13 56.568 0.3 . 1 . . . . . 12 LYS CA . 52999 1 42 . 1 . 1 12 12 LYS CB C 13 33.229 0.3 . 1 . . . . . 12 LYS CB . 52999 1 43 . 1 . 1 12 12 LYS N N 15 118.047 0.3 . 1 . . . . . 12 LYS N . 52999 1 44 . 1 . 1 13 13 GLU H H 1 7.909 0.020 . 1 . . . . . 13 GLU H . 52999 1 45 . 1 . 1 13 13 GLU CA C 13 56.152 0.3 . 1 . . . . . 13 GLU CA . 52999 1 46 . 1 . 1 13 13 GLU CB C 13 29.744 0.3 . 1 . . . . . 13 GLU CB . 52999 1 47 . 1 . 1 13 13 GLU N N 15 118.084 0.3 . 1 . . . . . 13 GLU N . 52999 1 48 . 1 . 1 14 14 GLY H H 1 8.170 0.020 . 1 . . . . . 14 GLY H . 52999 1 49 . 1 . 1 14 14 GLY CA C 13 45.131 0.3 . 1 . . . . . 14 GLY CA . 52999 1 50 . 1 . 1 14 14 GLY N N 15 107.718 0.3 . 1 . . . . . 14 GLY N . 52999 1 51 . 1 . 1 15 15 VAL H H 1 7.827 0.020 . 1 . . . . . 15 VAL H . 52999 1 52 . 1 . 1 15 15 VAL CA C 13 61.997 0.3 . 1 . . . . . 15 VAL CA . 52999 1 53 . 1 . 1 15 15 VAL CB C 13 32.724 0.3 . 1 . . . . . 15 VAL CB . 52999 1 54 . 1 . 1 15 15 VAL N N 15 115.807 0.3 . 1 . . . . . 15 VAL N . 52999 1 55 . 1 . 1 16 16 VAL H H 1 7.875 0.020 . 1 . . . . . 16 VAL H . 52999 1 56 . 1 . 1 16 16 VAL CA C 13 62.080 0.3 . 1 . . . . . 16 VAL CA . 52999 1 57 . 1 . 1 16 16 VAL CB C 13 32.520 0.3 . 1 . . . . . 16 VAL CB . 52999 1 58 . 1 . 1 16 16 VAL N N 15 119.134 0.3 . 1 . . . . . 16 VAL N . 52999 1 59 . 1 . 1 17 17 ALA H H 1 7.974 0.020 . 1 . . . . . 17 ALA H . 52999 1 60 . 1 . 1 17 17 ALA CA C 13 52.455 0.3 . 1 . . . . . 17 ALA CA . 52999 1 61 . 1 . 1 17 17 ALA CB C 13 19.123 0.3 . 1 . . . . . 17 ALA CB . 52999 1 62 . 1 . 1 17 17 ALA N N 15 124.301 0.3 . 1 . . . . . 17 ALA N . 52999 1 63 . 1 . 1 18 18 ALA H H 1 7.960 0.020 . 1 . . . . . 18 ALA H . 52999 1 64 . 1 . 1 18 18 ALA CA C 13 52.478 0.3 . 1 . . . . . 18 ALA CA . 52999 1 65 . 1 . 1 18 18 ALA CB C 13 19.121 0.3 . 1 . . . . . 18 ALA CB . 52999 1 66 . 1 . 1 18 18 ALA N N 15 120.599 0.3 . 1 . . . . . 18 ALA N . 52999 1 67 . 1 . 1 19 19 ALA H H 1 7.995 0.020 . 1 . . . . . 19 ALA H . 52999 1 68 . 1 . 1 19 19 ALA CA C 13 52.455 0.3 . 1 . . . . . 19 ALA CA . 52999 1 69 . 1 . 1 19 19 ALA CB C 13 19.203 0.3 . 1 . . . . . 19 ALA CB . 52999 1 70 . 1 . 1 19 19 ALA N N 15 120.527 0.3 . 1 . . . . . 19 ALA N . 52999 1 71 . 1 . 1 20 20 GLU H H 1 7.928 0.020 . 1 . . . . . 20 GLU H . 52999 1 72 . 1 . 1 20 20 GLU CA C 13 56.105 0.3 . 1 . . . . . 20 GLU CA . 52999 1 73 . 1 . 1 20 20 GLU CB C 13 29.615 0.3 . 1 . . . . . 20 GLU CB . 52999 1 74 . 1 . 1 20 20 GLU N N 15 116.898 0.3 . 1 . . . . . 20 GLU N . 52999 1 75 . 1 . 1 21 21 LYS H H 1 7.989 0.020 . 1 . . . . . 21 LYS H . 52999 1 76 . 1 . 1 21 21 LYS CA C 13 56.593 0.3 . 1 . . . . . 21 LYS CA . 52999 1 77 . 1 . 1 21 21 LYS CB C 13 33.489 0.3 . 1 . . . . . 21 LYS CB . 52999 1 78 . 1 . 1 21 21 LYS N N 15 119.672 0.3 . 1 . . . . . 21 LYS N . 52999 1 79 . 1 . 1 22 22 THR H H 1 7.871 0.020 . 1 . . . . . 22 THR H . 52999 1 80 . 1 . 1 22 22 THR CA C 13 62.359 0.3 . 1 . . . . . 22 THR CA . 52999 1 81 . 1 . 1 22 22 THR CB C 13 69.872 0.3 . 1 . . . . . 22 THR CB . 52999 1 82 . 1 . 1 22 22 THR N N 15 112.851 0.3 . 1 . . . . . 22 THR N . 52999 1 83 . 1 . 1 23 23 LYS H H 1 7.884 0.020 . 1 . . . . . 23 LYS H . 52999 1 84 . 1 . 1 23 23 LYS CA C 13 56.640 0.3 . 1 . . . . . 23 LYS CA . 52999 1 85 . 1 . 1 23 23 LYS CB C 13 33.424 0.3 . 1 . . . . . 23 LYS CB . 52999 1 86 . 1 . 1 23 23 LYS N N 15 120.080 0.3 . 1 . . . . . 23 LYS N . 52999 1 87 . 1 . 1 24 24 GLN H H 1 8.041 0.020 . 1 . . . . . 24 GLN H . 52999 1 88 . 1 . 1 24 24 GLN CA C 13 56.291 0.3 . 1 . . . . . 24 GLN CA . 52999 1 89 . 1 . 1 24 24 GLN CB C 13 29.615 0.3 . 1 . . . . . 24 GLN CB . 52999 1 90 . 1 . 1 24 24 GLN N N 15 118.874 0.3 . 1 . . . . . 24 GLN N . 52999 1 91 . 1 . 1 25 25 GLY H H 1 8.113 0.020 . 1 . . . . . 25 GLY H . 52999 1 92 . 1 . 1 25 25 GLY CA C 13 45.108 0.3 . 1 . . . . . 25 GLY CA . 52999 1 93 . 1 . 1 25 25 GLY N N 15 107.776 0.3 . 1 . . . . . 25 GLY N . 52999 1 94 . 1 . 1 26 26 VAL H H 1 7.851 0.020 . 1 . . . . . 26 VAL H . 52999 1 95 . 1 . 1 26 26 VAL CA C 13 61.895 0.3 . 1 . . . . . 26 VAL CA . 52999 1 96 . 1 . 1 26 26 VAL CB C 13 32.775 0.3 . 1 . . . . . 26 VAL CB . 52999 1 97 . 1 . 1 26 26 VAL N N 15 115.946 0.3 . 1 . . . . . 26 VAL N . 52999 1 98 . 1 . 1 27 27 ALA H H 1 8.181 0.020 . 1 . . . . . 27 ALA H . 52999 1 99 . 1 . 1 27 27 ALA CA C 13 52.571 0.3 . 1 . . . . . 27 ALA CA . 52999 1 100 . 1 . 1 27 27 ALA CB C 13 19.994 0.3 . 1 . . . . . 27 ALA CB . 52999 1 101 . 1 . 1 27 27 ALA N N 15 125.180 0.3 . 1 . . . . . 27 ALA N . 52999 1 102 . 1 . 1 28 28 GLU H H 1 7.914 0.020 . 1 . . . . . 28 GLU H . 52999 1 103 . 1 . 1 28 28 GLU CA C 13 56.100 0.3 . 1 . . . . . 28 GLU CA . 52999 1 104 . 1 . 1 28 28 GLU CB C 13 29.699 0.3 . 1 . . . . . 28 GLU CB . 52999 1 105 . 1 . 1 28 28 GLU N N 15 117.301 0.3 . 1 . . . . . 28 GLU N . 52999 1 106 . 1 . 1 29 29 ALA H H 1 8.001 0.020 . 1 . . . . . 29 ALA H . 52999 1 107 . 1 . 1 29 29 ALA CA C 13 52.339 0.3 . 1 . . . . . 29 ALA CA . 52999 1 108 . 1 . 1 29 29 ALA CB C 13 19.187 0.3 . 1 . . . . . 29 ALA CB . 52999 1 109 . 1 . 1 29 29 ALA N N 15 122.239 0.3 . 1 . . . . . 29 ALA N . 52999 1 110 . 1 . 1 30 30 ALA H H 1 8.042 0.020 . 1 . . . . . 30 ALA H . 52999 1 111 . 1 . 1 30 30 ALA CA C 13 52.525 0.3 . 1 . . . . . 30 ALA CA . 52999 1 112 . 1 . 1 30 30 ALA CB C 13 19.121 0.3 . 1 . . . . . 30 ALA CB . 52999 1 113 . 1 . 1 30 30 ALA N N 15 120.841 0.3 . 1 . . . . . 30 ALA N . 52999 1 114 . 1 . 1 31 31 GLY H H 1 8.060 0.020 . 1 . . . . . 31 GLY H . 52999 1 115 . 1 . 1 31 31 GLY CA C 13 45.201 0.3 . 1 . . . . . 31 GLY CA . 52999 1 116 . 1 . 1 31 31 GLY N N 15 105.393 0.3 . 1 . . . . . 31 GLY N . 52999 1 117 . 1 . 1 32 32 LYS H H 1 7.971 0.020 . 1 . . . . . 32 LYS H . 52999 1 118 . 1 . 1 32 32 LYS CA C 13 56.451 0.3 . 1 . . . . . 32 LYS CA . 52999 1 119 . 1 . 1 32 32 LYS CB C 13 33.640 0.3 . 1 . . . . . 32 LYS CB . 52999 1 120 . 1 . 1 32 32 LYS N N 15 118.487 0.3 . 1 . . . . . 32 LYS N . 52999 1 121 . 1 . 1 33 33 THR H H 1 7.880 0.020 . 1 . . . . . 33 THR H . 52999 1 122 . 1 . 1 33 33 THR CA C 13 62.383 0.3 . 1 . . . . . 33 THR CA . 52999 1 123 . 1 . 1 33 33 THR CB C 13 69.872 0.3 . 1 . . . . . 33 THR CB . 52999 1 124 . 1 . 1 33 33 THR N N 15 113.025 0.3 . 1 . . . . . 33 THR N . 52999 1 125 . 1 . 1 34 34 LYS H H 1 7.900 0.020 . 1 . . . . . 34 LYS H . 52999 1 126 . 1 . 1 34 34 LYS CA C 13 56.620 0.3 . 1 . . . . . 34 LYS CA . 52999 1 127 . 1 . 1 34 34 LYS CB C 13 33.385 0.3 . 1 . . . . . 34 LYS CB . 52999 1 128 . 1 . 1 34 34 LYS N N 15 120.309 0.3 . 1 . . . . . 34 LYS N . 52999 1 129 . 1 . 1 35 35 GLU H H 1 8.086 0.020 . 1 . . . . . 35 GLU H . 52999 1 130 . 1 . 1 35 35 GLU CA C 13 56.803 0.3 . 1 . . . . . 35 GLU CA . 52999 1 131 . 1 . 1 35 35 GLU CB C 13 32.131 0.3 . 1 . . . . . 35 GLU CB . 52999 1 132 . 1 . 1 35 35 GLU N N 15 119.312 0.3 . 1 . . . . . 35 GLU N . 52999 1 133 . 1 . 1 36 36 GLY H H 1 8.108 0.020 . 1 . . . . . 36 GLY H . 52999 1 134 . 1 . 1 36 36 GLY CA C 13 45.080 0.3 . 1 . . . . . 36 GLY CA . 52999 1 135 . 1 . 1 36 36 GLY N N 15 107.809 0.3 . 1 . . . . . 36 GLY N . 52999 1 136 . 1 . 1 37 37 VAL H H 1 7.794 0.020 . 1 . . . . . 37 VAL H . 52999 1 137 . 1 . 1 37 37 VAL CA C 13 61.685 0.3 . 1 . . . . . 37 VAL CA . 52999 1 138 . 1 . 1 37 37 VAL CB C 13 32.908 0.3 . 1 . . . . . 37 VAL CB . 52999 1 139 . 1 . 1 37 37 VAL N N 15 115.385 0.3 . 1 . . . . . 37 VAL N . 52999 1 140 . 1 . 1 38 38 LEU H H 1 8.046 0.020 . 1 . . . . . 38 LEU H . 52999 1 141 . 1 . 1 38 38 LEU CA C 13 55.315 0.3 . 1 . . . . . 38 LEU CA . 52999 1 142 . 1 . 1 38 38 LEU CB C 13 42.239 0.3 . 1 . . . . . 38 LEU CB . 52999 1 143 . 1 . 1 38 38 LEU N N 15 122.380 0.3 . 1 . . . . . 38 LEU N . 52999 1 144 . 1 . 1 39 39 TYR H H 1 7.868 0.020 . 1 . . . . . 39 TYR H . 52999 1 145 . 1 . 1 39 39 TYR CA C 13 57.872 0.3 . 1 . . . . . 39 TYR CA . 52999 1 146 . 1 . 1 39 39 TYR CB C 13 38.460 0.3 . 1 . . . . . 39 TYR CB . 52999 1 147 . 1 . 1 39 39 TYR N N 15 118.686 0.3 . 1 . . . . . 39 TYR N . 52999 1 148 . 1 . 1 40 40 VAL H H 1 7.819 0.020 . 1 . . . . . 40 VAL H . 52999 1 149 . 1 . 1 40 40 VAL CA C 13 62.057 0.3 . 1 . . . . . 40 VAL CA . 52999 1 150 . 1 . 1 40 40 VAL CB C 13 32.714 0.3 . 1 . . . . . 40 VAL CB . 52999 1 151 . 1 . 1 40 40 VAL N N 15 116.564 0.3 . 1 . . . . . 40 VAL N . 52999 1 152 . 1 . 1 41 41 GLY H H 1 8.080 0.020 . 1 . . . . . 41 GLY H . 52999 1 153 . 1 . 1 41 41 GLY CA C 13 45.038 0.3 . 1 . . . . . 41 GLY CA . 52999 1 154 . 1 . 1 41 41 GLY N N 15 109.428 0.3 . 1 . . . . . 41 GLY N . 52999 1 155 . 1 . 1 42 42 SER H H 1 7.950 0.020 . 1 . . . . . 42 SER H . 52999 1 156 . 1 . 1 42 42 SER CA C 13 58.174 0.3 . 1 . . . . . 42 SER CA . 52999 1 157 . 1 . 1 42 42 SER CB C 13 66.030 0.3 . 1 . . . . . 42 SER CB . 52999 1 158 . 1 . 1 42 42 SER N N 15 113.977 0.3 . 1 . . . . . 42 SER N . 52999 1 159 . 1 . 1 43 43 LYS H H 1 8.207 0.020 . 1 . . . . . 43 LYS H . 52999 1 160 . 1 . 1 43 43 LYS CA C 13 56.965 0.3 . 1 . . . . . 43 LYS CA . 52999 1 161 . 1 . 1 43 43 LYS CB C 13 33.101 0.3 . 1 . . . . . 43 LYS CB . 52999 1 162 . 1 . 1 43 43 LYS N N 15 121.300 0.3 . 1 . . . . . 43 LYS N . 52999 1 163 . 1 . 1 44 44 THR H H 1 7.771 0.020 . 1 . . . . . 44 THR H . 52999 1 164 . 1 . 1 44 44 THR CA C 13 62.383 0.3 . 1 . . . . . 44 THR CA . 52999 1 165 . 1 . 1 44 44 THR CB C 13 69.937 0.3 . 1 . . . . . 44 THR CB . 52999 1 166 . 1 . 1 44 44 THR N N 15 112.451 0.3 . 1 . . . . . 44 THR N . 52999 1 167 . 1 . 1 45 45 LYS H H 1 7.947 0.020 . 1 . . . . . 45 LYS H . 52999 1 168 . 1 . 1 45 45 LYS CA C 13 56.593 0.3 . 1 . . . . . 45 LYS CA . 52999 1 169 . 1 . 1 45 45 LYS CB C 13 33.295 0.3 . 1 . . . . . 45 LYS CB . 52999 1 170 . 1 . 1 45 45 LYS N N 15 120.648 0.3 . 1 . . . . . 45 LYS N . 52999 1 171 . 1 . 1 46 46 GLU H H 1 8.022 0.020 . 1 . . . . . 46 GLU H . 52999 1 172 . 1 . 1 46 46 GLU CA C 13 56.314 0.3 . 1 . . . . . 46 GLU CA . 52999 1 173 . 1 . 1 46 46 GLU CB C 13 29.679 0.3 . 1 . . . . . 46 GLU CB . 52999 1 174 . 1 . 1 46 46 GLU N N 15 118.727 0.3 . 1 . . . . . 46 GLU N . 52999 1 175 . 1 . 1 47 47 GLY H H 1 8.133 0.020 . 1 . . . . . 47 GLY H . 52999 1 176 . 1 . 1 47 47 GLY CA C 13 45.071 0.3 . 1 . . . . . 47 GLY CA . 52999 1 177 . 1 . 1 47 47 GLY N N 15 107.743 0.3 . 1 . . . . . 47 GLY N . 52999 1 178 . 1 . 1 48 48 VAL H H 1 7.805 0.020 . 1 . . . . . 48 VAL H . 52999 1 179 . 1 . 1 48 48 VAL CA C 13 61.732 0.3 . 1 . . . . . 48 VAL CA . 52999 1 180 . 1 . 1 48 48 VAL CB C 13 32.908 0.3 . 1 . . . . . 48 VAL CB . 52999 1 181 . 1 . 1 48 48 VAL N N 15 115.728 0.3 . 1 . . . . . 48 VAL N . 52999 1 182 . 1 . 1 49 49 VAL H H 1 7.952 0.020 . 1 . . . . . 49 VAL H . 52999 1 183 . 1 . 1 49 49 VAL CA C 13 62.359 0.3 . 1 . . . . . 49 VAL CA . 52999 1 184 . 1 . 1 49 49 VAL CB C 13 32.326 0.3 . 1 . . . . . 49 VAL CB . 52999 1 185 . 1 . 1 49 49 VAL N N 15 120.068 0.3 . 1 . . . . . 49 VAL N . 52999 1 186 . 1 . 1 50 50 HIS H H 1 8.212 0.020 . 1 . . . . . 50 HIS H . 52999 1 187 . 1 . 1 50 50 HIS CA C 13 55.663 0.3 . 1 . . . . . 50 HIS CA . 52999 1 188 . 1 . 1 50 50 HIS CB C 13 29.421 0.3 . 1 . . . . . 50 HIS CB . 52999 1 189 . 1 . 1 50 50 HIS N N 15 119.746 0.3 . 1 . . . . . 50 HIS N . 52999 1 190 . 1 . 1 51 51 GLY H H 1 8.205 0.020 . 1 . . . . . 51 GLY H . 52999 1 191 . 1 . 1 51 51 GLY CA C 13 45.108 0.3 . 1 . . . . . 51 GLY CA . 52999 1 192 . 1 . 1 51 51 GLY N N 15 107.912 0.3 . 1 . . . . . 51 GLY N . 52999 1 193 . 1 . 1 52 52 VAL H H 1 8.021 0.020 . 1 . . . . . 52 VAL H . 52999 1 194 . 1 . 1 52 52 VAL CA C 13 61.639 0.3 . 1 . . . . . 52 VAL CA . 52999 1 195 . 1 . 1 52 52 VAL CB C 13 33.101 0.3 . 1 . . . . . 52 VAL CB . 52999 1 196 . 1 . 1 52 52 VAL N N 15 116.257 0.3 . 1 . . . . . 52 VAL N . 52999 1 197 . 1 . 1 53 53 ALA H H 1 8.227 0.020 . 1 . . . . . 53 ALA H . 52999 1 198 . 1 . 1 53 53 ALA CA C 13 52.455 0.3 . 1 . . . . . 53 ALA CA . 52999 1 199 . 1 . 1 53 53 ALA CB C 13 19.123 0.3 . 1 . . . . . 53 ALA CB . 52999 1 200 . 1 . 1 53 53 ALA N N 15 125.069 0.3 . 1 . . . . . 53 ALA N . 52999 1 201 . 1 . 1 54 54 THR H H 1 7.783 0.020 . 1 . . . . . 54 THR H . 52999 1 202 . 1 . 1 54 54 THR CA C 13 62.104 0.3 . 1 . . . . . 54 THR CA . 52999 1 203 . 1 . 1 54 54 THR CB C 13 69.743 0.3 . 1 . . . . . 54 THR CB . 52999 1 204 . 1 . 1 54 54 THR N N 15 111.241 0.3 . 1 . . . . . 54 THR N . 52999 1 205 . 1 . 1 55 55 VAL H H 1 7.586 0.020 . 1 . . . . . 55 VAL H . 52999 1 206 . 1 . 1 55 55 VAL CA C 13 61.546 0.3 . 1 . . . . . 55 VAL CA . 52999 1 207 . 1 . 1 55 55 VAL CB C 13 33.101 0.3 . 1 . . . . . 55 VAL CB . 52999 1 208 . 1 . 1 55 55 VAL N N 15 116.341 0.3 . 1 . . . . . 55 VAL N . 52999 1 209 . 1 . 1 56 56 ALA H H 1 8.115 0.020 . 1 . . . . . 56 ALA H . 52999 1 210 . 1 . 1 56 56 ALA CA C 13 52.408 0.3 . 1 . . . . . 56 ALA CA . 52999 1 211 . 1 . 1 56 56 ALA CB C 13 19.994 0.3 . 1 . . . . . 56 ALA CB . 52999 1 212 . 1 . 1 56 56 ALA N N 15 124.636 0.3 . 1 . . . . . 56 ALA N . 52999 1 213 . 1 . 1 57 57 GLU H H 1 7.925 0.020 . 1 . . . . . 57 GLU H . 52999 1 214 . 1 . 1 57 57 GLU CA C 13 56.059 0.3 . 1 . . . . . 57 GLU CA . 52999 1 215 . 1 . 1 57 57 GLU CB C 13 29.679 0.3 . 1 . . . . . 57 GLU CB . 52999 1 216 . 1 . 1 57 57 GLU N N 15 117.464 0.3 . 1 . . . . . 57 GLU N . 52999 1 217 . 1 . 1 58 58 LYS H H 1 7.997 0.020 . 1 . . . . . 58 LYS H . 52999 1 218 . 1 . 1 58 58 LYS CA C 13 56.568 0.3 . 1 . . . . . 58 LYS CA . 52999 1 219 . 1 . 1 58 58 LYS CB C 13 33.489 0.3 . 1 . . . . . 58 LYS CB . 52999 1 220 . 1 . 1 58 58 LYS N N 15 119.736 0.3 . 1 . . . . . 58 LYS N . 52999 1 221 . 1 . 1 59 59 THR H H 1 7.887 0.020 . 1 . . . . . 59 THR H . 52999 1 222 . 1 . 1 59 59 THR CA C 13 62.302 0.3 . 1 . . . . . 59 THR CA . 52999 1 223 . 1 . 1 59 59 THR CB C 13 69.901 0.3 . 1 . . . . . 59 THR CB . 52999 1 224 . 1 . 1 59 59 THR N N 15 112.932 0.3 . 1 . . . . . 59 THR N . 52999 1 225 . 1 . 1 60 60 LYS H H 1 7.897 0.020 . 1 . . . . . 60 LYS H . 52999 1 226 . 1 . 1 60 60 LYS CA C 13 56.568 0.3 . 1 . . . . . 60 LYS CA . 52999 1 227 . 1 . 1 60 60 LYS CB C 13 33.489 0.3 . 1 . . . . . 60 LYS CB . 52999 1 228 . 1 . 1 60 60 LYS N N 15 120.072 0.3 . 1 . . . . . 60 LYS N . 52999 1 229 . 1 . 1 61 61 GLU H H 1 8.053 0.020 . 1 . . . . . 61 GLU H . 52999 1 230 . 1 . 1 61 61 GLU CA C 13 56.256 0.3 . 1 . . . . . 61 GLU CA . 52999 1 231 . 1 . 1 61 61 GLU CB C 13 29.647 0.3 . 1 . . . . . 61 GLU CB . 52999 1 232 . 1 . 1 61 61 GLU N N 15 118.937 0.3 . 1 . . . . . 61 GLU N . 52999 1 233 . 1 . 1 62 62 GLN H H 1 8.018 0.020 . 1 . . . . . 62 GLN H . 52999 1 234 . 1 . 1 62 62 GLN CA C 13 56.338 0.3 . 1 . . . . . 62 GLN CA . 52999 1 235 . 1 . 1 62 62 GLN CB C 13 32.066 0.3 . 1 . . . . . 62 GLN CB . 52999 1 236 . 1 . 1 62 62 GLN N N 15 120.000 0.3 . 1 . . . . . 62 GLN N . 52999 1 237 . 1 . 1 63 63 VAL H H 1 7.934 0.020 . 1 . . . . . 63 VAL H . 52999 1 238 . 1 . 1 63 63 VAL CA C 13 62.011 0.3 . 1 . . . . . 63 VAL CA . 52999 1 239 . 1 . 1 63 63 VAL CB C 13 32.649 0.3 . 1 . . . . . 63 VAL CB . 52999 1 240 . 1 . 1 63 63 VAL N N 15 117.257 0.3 . 1 . . . . . 63 VAL N . 52999 1 241 . 1 . 1 64 64 THR H H 1 7.823 0.020 . 1 . . . . . 64 THR H . 52999 1 242 . 1 . 1 64 64 THR CA C 13 62.127 0.3 . 1 . . . . . 64 THR CA . 52999 1 243 . 1 . 1 64 64 THR CB C 13 71.001 0.3 . 1 . . . . . 64 THR CB . 52999 1 244 . 1 . 1 64 64 THR N N 15 114.453 0.3 . 1 . . . . . 64 THR N . 52999 1 245 . 1 . 1 65 65 ASN H H 1 8.061 0.020 . 1 . . . . . 65 ASN H . 52999 1 246 . 1 . 1 65 65 ASN CA C 13 53.920 0.3 . 1 . . . . . 65 ASN CA . 52999 1 247 . 1 . 1 65 65 ASN CB C 13 39.106 0.3 . 1 . . . . . 65 ASN CB . 52999 1 248 . 1 . 1 65 65 ASN N N 15 120.350 0.3 . 1 . . . . . 65 ASN N . 52999 1 249 . 1 . 1 66 66 VAL H H 1 7.817 0.020 . 1 . . . . . 66 VAL H . 52999 1 250 . 1 . 1 66 66 VAL CA C 13 62.127 0.3 . 1 . . . . . 66 VAL CA . 52999 1 251 . 1 . 1 66 66 VAL CB C 13 32.328 0.3 . 1 . . . . . 66 VAL CB . 52999 1 252 . 1 . 1 66 66 VAL N N 15 115.835 0.3 . 1 . . . . . 66 VAL N . 52999 1 253 . 1 . 1 67 67 GLY H H 1 8.243 0.020 . 1 . . . . . 67 GLY H . 52999 1 254 . 1 . 1 67 67 GLY CA C 13 45.294 0.3 . 1 . . . . . 67 GLY CA . 52999 1 255 . 1 . 1 67 67 GLY N N 15 109.080 0.3 . 1 . . . . . 67 GLY N . 52999 1 256 . 1 . 1 68 68 GLY H H 1 7.990 0.020 . 1 . . . . . 68 GLY H . 52999 1 257 . 1 . 1 68 68 GLY CA C 13 45.084 0.3 . 1 . . . . . 68 GLY CA . 52999 1 258 . 1 . 1 68 68 GLY N N 15 106.047 0.3 . 1 . . . . . 68 GLY N . 52999 1 259 . 1 . 1 69 69 ALA H H 1 7.992 0.020 . 1 . . . . . 69 ALA H . 52999 1 260 . 1 . 1 69 69 ALA CA C 13 52.269 0.3 . 1 . . . . . 69 ALA CA . 52999 1 261 . 1 . 1 69 69 ALA CB C 13 19.446 0.3 . 1 . . . . . 69 ALA CB . 52999 1 262 . 1 . 1 69 69 ALA N N 15 121.458 0.3 . 1 . . . . . 69 ALA N . 52999 1 263 . 1 . 1 70 70 VAL H H 1 7.918 0.020 . 1 . . . . . 70 VAL H . 52999 1 264 . 1 . 1 70 70 VAL CA C 13 62.197 0.3 . 1 . . . . . 70 VAL CA . 52999 1 265 . 1 . 1 70 70 VAL CB C 13 32.456 0.3 . 1 . . . . . 70 VAL CB . 52999 1 266 . 1 . 1 70 70 VAL N N 15 115.903 0.3 . 1 . . . . . 70 VAL N . 52999 1 267 . 1 . 1 71 71 VAL H H 1 7.822 0.020 . 1 . . . . . 71 VAL H . 52999 1 268 . 1 . 1 71 71 VAL CA C 13 62.057 0.3 . 1 . . . . . 71 VAL CA . 52999 1 269 . 1 . 1 71 71 VAL CB C 13 32.395 0.3 . 1 . . . . . 71 VAL CB . 52999 1 270 . 1 . 1 71 71 VAL N N 15 118.718 0.3 . 1 . . . . . 71 VAL N . 52999 1 271 . 1 . 1 72 72 THR H H 1 7.779 0.020 . 1 . . . . . 72 THR H . 52999 1 272 . 1 . 1 72 72 THR CA C 13 62.470 0.3 . 1 . . . . . 72 THR CA . 52999 1 273 . 1 . 1 72 72 THR CB C 13 69.937 0.3 . 1 . . . . . 72 THR CB . 52999 1 274 . 1 . 1 72 72 THR N N 15 114.481 0.3 . 1 . . . . . 72 THR N . 52999 1 275 . 1 . 1 73 73 GLY H H 1 7.970 0.020 . 1 . . . . . 73 GLY H . 52999 1 276 . 1 . 1 73 73 GLY CA C 13 45.363 0.3 . 1 . . . . . 73 GLY CA . 52999 1 277 . 1 . 1 73 73 GLY N N 15 108.091 0.3 . 1 . . . . . 73 GLY N . 52999 1 278 . 1 . 1 74 74 VAL H H 1 7.858 0.020 . 1 . . . . . 74 VAL H . 52999 1 279 . 1 . 1 74 74 VAL CA C 13 61.964 0.3 . 1 . . . . . 74 VAL CA . 52999 1 280 . 1 . 1 74 74 VAL CB C 13 32.778 0.3 . 1 . . . . . 74 VAL CB . 52999 1 281 . 1 . 1 74 74 VAL N N 15 115.805 0.3 . 1 . . . . . 74 VAL N . 52999 1 282 . 1 . 1 75 75 THR H H 1 7.909 0.020 . 1 . . . . . 75 THR H . 52999 1 283 . 1 . 1 75 75 THR CA C 13 62.429 0.3 . 1 . . . . . 75 THR CA . 52999 1 284 . 1 . 1 75 75 THR CB C 13 69.743 0.3 . 1 . . . . . 75 THR CB . 52999 1 285 . 1 . 1 75 75 THR N N 15 115.238 0.3 . 1 . . . . . 75 THR N . 52999 1 286 . 1 . 1 76 76 ALA H H 1 7.838 0.020 . 1 . . . . . 76 ALA H . 52999 1 287 . 1 . 1 76 76 ALA CA C 13 52.525 0.3 . 1 . . . . . 76 ALA CA . 52999 1 288 . 1 . 1 76 76 ALA CB C 13 19.381 0.3 . 1 . . . . . 76 ALA CB . 52999 1 289 . 1 . 1 76 76 ALA N N 15 123.297 0.3 . 1 . . . . . 76 ALA N . 52999 1 290 . 1 . 1 77 77 VAL H H 1 7.814 0.020 . 1 . . . . . 77 VAL H . 52999 1 291 . 1 . 1 77 77 VAL CA C 13 61.871 0.3 . 1 . . . . . 77 VAL CA . 52999 1 292 . 1 . 1 77 77 VAL CB C 13 32.585 0.3 . 1 . . . . . 77 VAL CB . 52999 1 293 . 1 . 1 77 77 VAL N N 15 115.091 0.3 . 1 . . . . . 77 VAL N . 52999 1 294 . 1 . 1 78 78 ALA H H 1 8.029 0.020 . 1 . . . . . 78 ALA H . 52999 1 295 . 1 . 1 78 78 ALA CA C 13 52.478 0.3 . 1 . . . . . 78 ALA CA . 52999 1 296 . 1 . 1 78 78 ALA CB C 13 19.058 0.3 . 1 . . . . . 78 ALA CB . 52999 1 297 . 1 . 1 78 78 ALA N N 15 124.376 0.3 . 1 . . . . . 78 ALA N . 52999 1 298 . 1 . 1 79 79 GLN H H 1 7.972 0.020 . 1 . . . . . 79 GLN H . 52999 1 299 . 1 . 1 79 79 GLN CA C 13 56.524 0.3 . 1 . . . . . 79 GLN CA . 52999 1 300 . 1 . 1 79 79 GLN CB C 13 32.260 0.3 . 1 . . . . . 79 GLN CB . 52999 1 301 . 1 . 1 79 79 GLN N N 15 118.010 0.3 . 1 . . . . . 79 GLN N . 52999 1 302 . 1 . 1 80 80 LYS H H 1 8.001 0.020 . 1 . . . . . 80 LYS H . 52999 1 303 . 1 . 1 80 80 LYS CA C 13 56.524 0.3 . 1 . . . . . 80 LYS CA . 52999 1 304 . 1 . 1 80 80 LYS CB C 13 33.553 0.3 . 1 . . . . . 80 LYS CB . 52999 1 305 . 1 . 1 80 80 LYS N N 15 119.511 0.3 . 1 . . . . . 80 LYS N . 52999 1 306 . 1 . 1 81 81 THR H H 1 7.903 0.020 . 1 . . . . . 81 THR H . 52999 1 307 . 1 . 1 81 81 THR CA C 13 62.290 0.3 . 1 . . . . . 81 THR CA . 52999 1 308 . 1 . 1 81 81 THR CB C 13 69.872 0.3 . 1 . . . . . 81 THR CB . 52999 1 309 . 1 . 1 81 81 THR N N 15 113.389 0.3 . 1 . . . . . 81 THR N . 52999 1 310 . 1 . 1 82 82 VAL H H 1 7.699 0.020 . 1 . . . . . 82 VAL H . 52999 1 311 . 1 . 1 82 82 VAL CA C 13 61.778 0.3 . 1 . . . . . 82 VAL CA . 52999 1 312 . 1 . 1 82 82 VAL CB C 13 32.778 0.3 . 1 . . . . . 82 VAL CB . 52999 1 313 . 1 . 1 82 82 VAL N N 15 117.141 0.3 . 1 . . . . . 82 VAL N . 52999 1 314 . 1 . 1 83 83 GLU H H 1 8.086 0.020 . 1 . . . . . 83 GLU H . 52999 1 315 . 1 . 1 83 83 GLU CA C 13 56.407 0.3 . 1 . . . . . 83 GLU CA . 52999 1 316 . 1 . 1 83 83 GLU CB C 13 29.356 0.3 . 1 . . . . . 83 GLU CB . 52999 1 317 . 1 . 1 83 83 GLU N N 15 121.212 0.3 . 1 . . . . . 83 GLU N . 52999 1 318 . 1 . 1 84 84 GLY H H 1 8.086 0.020 . 1 . . . . . 84 GLY H . 52999 1 319 . 1 . 1 84 84 GLY CA C 13 45.131 0.3 . 1 . . . . . 84 GLY CA . 52999 1 320 . 1 . 1 84 84 GLY N N 15 107.558 0.3 . 1 . . . . . 84 GLY N . 52999 1 321 . 1 . 1 85 85 ALA H H 1 8.065 0.020 . 1 . . . . . 85 ALA H . 52999 1 322 . 1 . 1 85 85 ALA CA C 13 52.641 0.3 . 1 . . . . . 85 ALA CA . 52999 1 323 . 1 . 1 85 85 ALA CB C 13 19.308 0.3 . 1 . . . . . 85 ALA CB . 52999 1 324 . 1 . 1 85 85 ALA N N 15 121.522 0.3 . 1 . . . . . 85 ALA N . 52999 1 325 . 1 . 1 86 86 GLY H H 1 8.199 0.020 . 1 . . . . . 86 GLY H . 52999 1 326 . 1 . 1 86 86 GLY CA C 13 45.201 0.3 . 1 . . . . . 86 GLY CA . 52999 1 327 . 1 . 1 86 86 GLY N N 15 105.906 0.3 . 1 . . . . . 86 GLY N . 52999 1 328 . 1 . 1 87 87 SER H H 1 7.848 0.020 . 1 . . . . . 87 SER H . 52999 1 329 . 1 . 1 87 87 SER CA C 13 58.011 0.3 . 1 . . . . . 87 SER CA . 52999 1 330 . 1 . 1 87 87 SER CB C 13 66.030 0.3 . 1 . . . . . 87 SER CB . 52999 1 331 . 1 . 1 87 87 SER N N 15 113.725 0.3 . 1 . . . . . 87 SER N . 52999 1 332 . 1 . 1 88 88 ILE H H 1 7.863 0.020 . 1 . . . . . 88 ILE H . 52999 1 333 . 1 . 1 88 88 ILE CA C 13 61.360 0.3 . 1 . . . . . 88 ILE CA . 52999 1 334 . 1 . 1 88 88 ILE CB C 13 38.783 0.3 . 1 . . . . . 88 ILE CB . 52999 1 335 . 1 . 1 88 88 ILE N N 15 118.435 0.3 . 1 . . . . . 88 ILE N . 52999 1 336 . 1 . 1 89 89 ALA H H 1 7.997 0.020 . 1 . . . . . 89 ALA H . 52999 1 337 . 1 . 1 89 89 ALA CA C 13 52.501 0.3 . 1 . . . . . 89 ALA CA . 52999 1 338 . 1 . 1 89 89 ALA CB C 13 19.058 0.3 . 1 . . . . . 89 ALA CB . 52999 1 339 . 1 . 1 89 89 ALA N N 15 124.316 0.3 . 1 . . . . . 89 ALA N . 52999 1 340 . 1 . 1 90 90 ALA H H 1 7.891 0.020 . 1 . . . . . 90 ALA H . 52999 1 341 . 1 . 1 90 90 ALA CA C 13 52.432 0.3 . 1 . . . . . 90 ALA CA . 52999 1 342 . 1 . 1 90 90 ALA CB C 13 19.168 0.3 . 1 . . . . . 90 ALA CB . 52999 1 343 . 1 . 1 90 90 ALA N N 15 120.277 0.3 . 1 . . . . . 90 ALA N . 52999 1 344 . 1 . 1 91 91 ALA H H 1 8.021 0.020 . 1 . . . . . 91 ALA H . 52999 1 345 . 1 . 1 91 91 ALA CA C 13 52.432 0.3 . 1 . . . . . 91 ALA CA . 52999 1 346 . 1 . 1 91 91 ALA CB C 13 19.057 0.3 . 1 . . . . . 91 ALA CB . 52999 1 347 . 1 . 1 91 91 ALA N N 15 120.857 0.3 . 1 . . . . . 91 ALA N . 52999 1 348 . 1 . 1 92 92 THR H H 1 7.626 0.020 . 1 . . . . . 92 THR H . 52999 1 349 . 1 . 1 92 92 THR CA C 13 62.476 0.3 . 1 . . . . . 92 THR CA . 52999 1 350 . 1 . 1 92 92 THR CB C 13 69.743 0.3 . 1 . . . . . 92 THR CB . 52999 1 351 . 1 . 1 92 92 THR N N 15 110.124 0.3 . 1 . . . . . 92 THR N . 52999 1 352 . 1 . 1 93 93 GLY H H 1 7.945 0.020 . 1 . . . . . 93 GLY H . 52999 1 353 . 1 . 1 93 93 GLY CA C 13 45.247 0.3 . 1 . . . . . 93 GLY CA . 52999 1 354 . 1 . 1 93 93 GLY N N 15 107.554 0.3 . 1 . . . . . 93 GLY N . 52999 1 355 . 1 . 1 94 94 PHE H H 1 8.042 0.020 . 1 . . . . . 94 PHE H . 52999 1 356 . 1 . 1 94 94 PHE CA C 13 58.105 0.3 . 1 . . . . . 94 PHE CA . 52999 1 357 . 1 . 1 94 94 PHE CB C 13 39.623 0.3 . 1 . . . . . 94 PHE CB . 52999 1 358 . 1 . 1 94 94 PHE N N 15 117.920 0.3 . 1 . . . . . 94 PHE N . 52999 1 359 . 1 . 1 95 95 VAL H H 1 7.945 0.020 . 1 . . . . . 95 VAL H . 52999 1 360 . 1 . 1 95 95 VAL CA C 13 62.057 0.3 . 1 . . . . . 95 VAL CA . 52999 1 361 . 1 . 1 95 95 VAL CB C 13 32.649 0.3 . 1 . . . . . 95 VAL CB . 52999 1 362 . 1 . 1 95 95 VAL N N 15 116.898 0.3 . 1 . . . . . 95 VAL N . 52999 1 363 . 1 . 1 96 96 LYS H H 1 8.049 0.020 . 1 . . . . . 96 LYS H . 52999 1 364 . 1 . 1 96 96 LYS CA C 13 56.570 0.3 . 1 . . . . . 96 LYS CA . 52999 1 365 . 1 . 1 96 96 LYS CB C 13 33.166 0.3 . 1 . . . . . 96 LYS CB . 52999 1 366 . 1 . 1 96 96 LYS N N 15 122.360 0.3 . 1 . . . . . 96 LYS N . 52999 1 367 . 1 . 1 97 97 LYS H H 1 8.006 0.020 . 1 . . . . . 97 LYS H . 52999 1 368 . 1 . 1 97 97 LYS CA C 13 56.570 0.3 . 1 . . . . . 97 LYS CA . 52999 1 369 . 1 . 1 97 97 LYS CB C 13 33.489 0.3 . 1 . . . . . 97 LYS CB . 52999 1 370 . 1 . 1 97 97 LYS N N 15 119.588 0.3 . 1 . . . . . 97 LYS N . 52999 1 371 . 1 . 1 98 98 ASP H H 1 8.260 0.020 . 1 . . . . . 98 ASP H . 52999 1 372 . 1 . 1 98 98 ASP CA C 13 53.850 0.3 . 1 . . . . . 98 ASP CA . 52999 1 373 . 1 . 1 98 98 ASP CB C 13 41.008 0.3 . 1 . . . . . 98 ASP CB . 52999 1 374 . 1 . 1 98 98 ASP N N 15 118.792 0.3 . 1 . . . . . 98 ASP N . 52999 1 375 . 1 . 1 99 99 GLN H H 1 7.874 0.020 . 1 . . . . . 99 GLN H . 52999 1 376 . 1 . 1 99 99 GLN CA C 13 56.454 0.3 . 1 . . . . . 99 GLN CA . 52999 1 377 . 1 . 1 99 99 GLN CB C 13 32.196 0.3 . 1 . . . . . 99 GLN CB . 52999 1 378 . 1 . 1 99 99 GLN N N 15 118.367 0.3 . 1 . . . . . 99 GLN N . 52999 1 379 . 1 . 1 100 100 LEU H H 1 7.913 0.020 . 1 . . . . . 100 LEU H . 52999 1 380 . 1 . 1 100 100 LEU CA C 13 55.384 0.3 . 1 . . . . . 100 LEU CA . 52999 1 381 . 1 . 1 100 100 LEU CB C 13 44.980 0.3 . 1 . . . . . 100 LEU CB . 52999 1 382 . 1 . 1 100 100 LEU N N 15 120.104 0.3 . 1 . . . . . 100 LEU N . 52999 1 383 . 1 . 1 101 101 GLY H H 1 8.104 0.020 . 1 . . . . . 101 GLY H . 52999 1 384 . 1 . 1 101 101 GLY CA C 13 45.108 0.3 . 1 . . . . . 101 GLY CA . 52999 1 385 . 1 . 1 101 101 GLY N N 15 107.035 0.3 . 1 . . . . . 101 GLY N . 52999 1 386 . 1 . 1 102 102 LYS H H 1 7.980 0.020 . 1 . . . . . 102 LYS H . 52999 1 387 . 1 . 1 102 102 LYS CA C 13 56.384 0.3 . 1 . . . . . 102 LYS CA . 52999 1 388 . 1 . 1 102 102 LYS CB C 13 33.682 0.3 . 1 . . . . . 102 LYS CB . 52999 1 389 . 1 . 1 102 102 LYS N N 15 118.487 0.3 . 1 . . . . . 102 LYS N . 52999 1 390 . 1 . 1 103 103 ASN H H 1 8.284 0.020 . 1 . . . . . 103 ASN H . 52999 1 391 . 1 . 1 103 103 ASN CA C 13 54.082 0.3 . 1 . . . . . 103 ASN CA . 52999 1 392 . 1 . 1 103 103 ASN CB C 13 38.977 0.3 . 1 . . . . . 103 ASN CB . 52999 1 393 . 1 . 1 103 103 ASN N N 15 119.415 0.3 . 1 . . . . . 103 ASN N . 52999 1 394 . 1 . 1 104 104 GLU H H 1 7.981 0.020 . 1 . . . . . 104 GLU H . 52999 1 395 . 1 . 1 104 104 GLU CA C 13 56.314 0.3 . 1 . . . . . 104 GLU CA . 52999 1 396 . 1 . 1 104 104 GLU CB C 13 29.356 0.3 . 1 . . . . . 104 GLU CB . 52999 1 397 . 1 . 1 104 104 GLU N N 15 118.402 0.3 . 1 . . . . . 104 GLU N . 52999 1 398 . 1 . 1 105 105 GLU H H 1 8.018 0.020 . 1 . . . . . 105 GLU H . 52999 1 399 . 1 . 1 105 105 GLU CA C 13 56.384 0.3 . 1 . . . . . 105 GLU CA . 52999 1 400 . 1 . 1 105 105 GLU CB C 13 29.311 0.3 . 1 . . . . . 105 GLU CB . 52999 1 401 . 1 . 1 105 105 GLU N N 15 117.996 0.3 . 1 . . . . . 105 GLU N . 52999 1 402 . 1 . 1 106 106 GLY H H 1 8.016 0.020 . 1 . . . . . 106 GLY H . 52999 1 403 . 1 . 1 106 106 GLY CA C 13 45.922 0.3 . 1 . . . . . 106 GLY CA . 52999 1 404 . 1 . 1 106 106 GLY N N 15 106.832 0.3 . 1 . . . . . 106 GLY N . 52999 1 405 . 1 . 1 107 107 ALA H H 1 8.088 0.020 . 1 . . . . . 107 ALA H . 52999 1 406 . 1 . 1 107 107 ALA CA C 13 50.502 0.3 . 1 . . . . . 107 ALA CA . 52999 1 407 . 1 . 1 107 107 ALA CB C 13 19.090 0.3 . 1 . . . . . 107 ALA CB . 52999 1 408 . 1 . 1 107 107 ALA N N 15 121.937 0.3 . 1 . . . . . 107 ALA N . 52999 1 409 . 1 . 1 109 109 GLN H H 1 8.092 0.020 . 1 . . . . . 109 GLN H . 52999 1 410 . 1 . 1 109 109 GLN CA C 13 56.617 0.3 . 1 . . . . . 109 GLN CA . 52999 1 411 . 1 . 1 109 109 GLN CB C 13 29.679 0.3 . 1 . . . . . 109 GLN CB . 52999 1 412 . 1 . 1 109 109 GLN N N 15 117.762 0.3 . 1 . . . . . 109 GLN N . 52999 1 413 . 1 . 1 110 110 GLU H H 1 7.871 0.020 . 1 . . . . . 110 GLU H . 52999 1 414 . 1 . 1 110 110 GLU CA C 13 56.082 0.3 . 1 . . . . . 110 GLU CA . 52999 1 415 . 1 . 1 110 110 GLU N N 15 118.042 0.3 . 1 . . . . . 110 GLU N . 52999 1 416 . 1 . 1 111 111 GLY H H 1 8.077 0.020 . 1 . . . . . 111 GLY H . 52999 1 417 . 1 . 1 111 111 GLY CA C 13 45.154 0.3 . 1 . . . . . 111 GLY CA . 52999 1 418 . 1 . 1 111 111 GLY N N 15 107.326 0.3 . 1 . . . . . 111 GLY N . 52999 1 419 . 1 . 1 112 112 ILE H H 1 7.824 0.020 . 1 . . . . . 112 ILE H . 52999 1 420 . 1 . 1 112 112 ILE CA C 13 60.964 0.3 . 1 . . . . . 112 ILE CA . 52999 1 421 . 1 . 1 112 112 ILE CB C 13 38.977 0.3 . 1 . . . . . 112 ILE CB . 52999 1 422 . 1 . 1 112 112 ILE N N 15 116.834 0.3 . 1 . . . . . 112 ILE N . 52999 1 423 . 1 . 1 113 113 LEU H H 1 8.049 0.020 . 1 . . . . . 113 LEU H . 52999 1 424 . 1 . 1 113 113 LEU CA C 13 55.408 0.3 . 1 . . . . . 113 LEU CA . 52999 1 425 . 1 . 1 113 113 LEU CB C 13 44.528 0.3 . 1 . . . . . 113 LEU CB . 52999 1 426 . 1 . 1 113 113 LEU N N 15 123.433 0.3 . 1 . . . . . 113 LEU N . 52999 1 427 . 1 . 1 114 114 GLU H H 1 7.871 0.020 . 1 . . . . . 114 GLU H . 52999 1 428 . 1 . 1 114 114 GLU CA C 13 56.082 0.3 . 1 . . . . . 114 GLU CA . 52999 1 429 . 1 . 1 114 114 GLU CB C 13 29.679 0.3 . 1 . . . . . 114 GLU CB . 52999 1 430 . 1 . 1 114 114 GLU N N 15 118.139 0.3 . 1 . . . . . 114 GLU N . 52999 1 431 . 1 . 1 115 115 ASP H H 1 8.109 0.020 . 1 . . . . . 115 ASP H . 52999 1 432 . 1 . 1 115 115 ASP CA C 13 53.524 0.3 . 1 . . . . . 115 ASP CA . 52999 1 433 . 1 . 1 115 115 ASP CB C 13 41.202 0.3 . 1 . . . . . 115 ASP CB . 52999 1 434 . 1 . 1 115 115 ASP N N 15 118.534 0.3 . 1 . . . . . 115 ASP N . 52999 1 435 . 1 . 1 116 116 MET H H 1 8.015 0.020 . 1 . . . . . 116 MET H . 52999 1 436 . 1 . 1 116 116 MET CA C 13 53.826 0.3 . 1 . . . . . 116 MET CA . 52999 1 437 . 1 . 1 116 116 MET N N 15 118.724 0.3 . 1 . . . . . 116 MET N . 52999 1 438 . 1 . 1 118 118 VAL H H 1 7.772 0.020 . 1 . . . . . 118 VAL H . 52999 1 439 . 1 . 1 118 118 VAL CA C 13 61.499 0.3 . 1 . . . . . 118 VAL CA . 52999 1 440 . 1 . 1 118 118 VAL CB C 13 33.101 0.3 . 1 . . . . . 118 VAL CB . 52999 1 441 . 1 . 1 118 118 VAL N N 15 114.955 0.3 . 1 . . . . . 118 VAL N . 52999 1 442 . 1 . 1 119 119 ASP H H 1 8.294 0.020 . 1 . . . . . 119 ASP H . 52999 1 443 . 1 . 1 119 119 ASP CA C 13 51.920 0.3 . 1 . . . . . 119 ASP CA . 52999 1 444 . 1 . 1 119 119 ASP CB C 13 39.879 0.3 . 1 . . . . . 119 ASP CB . 52999 1 445 . 1 . 1 119 119 ASP N N 15 120.825 0.3 . 1 . . . . . 119 ASP N . 52999 1 446 . 1 . 1 121 121 ASP H H 1 8.055 0.020 . 1 . . . . . 121 ASP H . 52999 1 447 . 1 . 1 121 121 ASP CA C 13 53.943 0.3 . 1 . . . . . 121 ASP CA . 52999 1 448 . 1 . 1 121 121 ASP CB C 13 39.879 0.3 . 1 . . . . . 121 ASP CB . 52999 1 449 . 1 . 1 121 121 ASP N N 15 116.122 0.3 . 1 . . . . . 121 ASP N . 52999 1 450 . 1 . 1 122 122 ASN H H 1 7.831 0.020 . 1 . . . . . 122 ASN H . 52999 1 451 . 1 . 1 122 122 ASN CA C 13 54.245 0.3 . 1 . . . . . 122 ASN CA . 52999 1 452 . 1 . 1 122 122 ASN CB C 13 39.106 0.3 . 1 . . . . . 122 ASN CB . 52999 1 453 . 1 . 1 122 122 ASN N N 15 117.034 0.3 . 1 . . . . . 122 ASN N . 52999 1 454 . 1 . 1 123 123 GLU H H 1 7.894 0.020 . 1 . . . . . 123 GLU H . 52999 1 455 . 1 . 1 123 123 GLU CA C 13 56.568 0.3 . 1 . . . . . 123 GLU CA . 52999 1 456 . 1 . 1 123 123 GLU CB C 13 30.920 0.3 . 1 . . . . . 123 GLU CB . 52999 1 457 . 1 . 1 123 123 GLU N N 15 118.298 0.3 . 1 . . . . . 123 GLU N . 52999 1 458 . 1 . 1 124 124 ALA H H 1 7.939 0.020 . 1 . . . . . 124 ALA H . 52999 1 459 . 1 . 1 124 124 ALA CA C 13 52.920 0.3 . 1 . . . . . 124 ALA CA . 52999 1 460 . 1 . 1 124 124 ALA CB C 13 19.800 0.3 . 1 . . . . . 124 ALA CB . 52999 1 461 . 1 . 1 124 124 ALA N N 15 121.361 0.3 . 1 . . . . . 124 ALA N . 52999 1 462 . 1 . 1 125 125 TYR H H 1 7.752 0.020 . 1 . . . . . 125 TYR H . 52999 1 463 . 1 . 1 125 125 TYR CA C 13 58.477 0.3 . 1 . . . . . 125 TYR CA . 52999 1 464 . 1 . 1 125 125 TYR CB C 13 37.525 0.3 . 1 . . . . . 125 TYR CB . 52999 1 465 . 1 . 1 125 125 TYR N N 15 116.122 0.3 . 1 . . . . . 125 TYR N . 52999 1 466 . 1 . 1 126 126 GLU H H 1 7.812 0.020 . 1 . . . . . 126 GLU H . 52999 1 467 . 1 . 1 126 126 GLU CA C 13 55.849 0.3 . 1 . . . . . 126 GLU CA . 52999 1 468 . 1 . 1 126 126 GLU CB C 13 29.679 0.3 . 1 . . . . . 126 GLU CB . 52999 1 469 . 1 . 1 126 126 GLU N N 15 117.811 0.3 . 1 . . . . . 126 GLU N . 52999 1 470 . 1 . 1 127 127 MET H H 1 8.080 0.020 . 1 . . . . . 127 MET H . 52999 1 471 . 1 . 1 127 127 MET CA C 13 53.943 0.3 . 1 . . . . . 127 MET CA . 52999 1 472 . 1 . 1 127 127 MET CB C 13 33.101 0.3 . 1 . . . . . 127 MET CB . 52999 1 473 . 1 . 1 127 127 MET N N 15 120.156 0.3 . 1 . . . . . 127 MET N . 52999 1 474 . 1 . 1 129 129 SER H H 1 8.033 0.020 . 1 . . . . . 129 SER H . 52999 1 475 . 1 . 1 129 129 SER CA C 13 58.383 0.3 . 1 . . . . . 129 SER CA . 52999 1 476 . 1 . 1 129 129 SER CB C 13 63.836 0.3 . 1 . . . . . 129 SER CB . 52999 1 477 . 1 . 1 129 129 SER N N 15 113.805 0.3 . 1 . . . . . 129 SER N . 52999 1 478 . 1 . 1 130 130 GLU H H 1 7.923 0.020 . 1 . . . . . 130 GLU H . 52999 1 479 . 1 . 1 130 130 GLU CA C 13 56.221 0.3 . 1 . . . . . 130 GLU CA . 52999 1 480 . 1 . 1 130 130 GLU CB C 13 29.292 0.3 . 1 . . . . . 130 GLU CB . 52999 1 481 . 1 . 1 130 130 GLU N N 15 119.283 0.3 . 1 . . . . . 130 GLU N . 52999 1 482 . 1 . 1 131 131 GLU H H 1 7.944 0.020 . 1 . . . . . 131 GLU H . 52999 1 483 . 1 . 1 131 131 GLU CA C 13 56.268 0.3 . 1 . . . . . 131 GLU CA . 52999 1 484 . 1 . 1 131 131 GLU CB C 13 29.481 0.3 . 1 . . . . . 131 GLU CB . 52999 1 485 . 1 . 1 131 131 GLU N N 15 118.212 0.3 . 1 . . . . . 131 GLU N . 52999 1 486 . 1 . 1 132 132 GLY H H 1 8.028 0.020 . 1 . . . . . 132 GLY H . 52999 1 487 . 1 . 1 132 132 GLY CA C 13 45.922 0.3 . 1 . . . . . 132 GLY CA . 52999 1 488 . 1 . 1 132 132 GLY N N 15 107.147 0.3 . 1 . . . . . 132 GLY N . 52999 1 489 . 1 . 1 133 133 TYR H H 1 7.973 0.020 . 1 . . . . . 133 TYR H . 52999 1 490 . 1 . 1 133 133 TYR CA C 13 58.500 0.3 . 1 . . . . . 133 TYR CA . 52999 1 491 . 1 . 1 133 133 TYR CB C 13 39.042 0.3 . 1 . . . . . 133 TYR CB . 52999 1 492 . 1 . 1 133 133 TYR N N 15 117.724 0.3 . 1 . . . . . 133 TYR N . 52999 1 493 . 1 . 1 134 134 GLN H H 1 8.216 0.020 . 1 . . . . . 134 GLN H . 52999 1 494 . 1 . 1 134 134 GLN CA C 13 56.477 0.3 . 1 . . . . . 134 GLN CA . 52999 1 495 . 1 . 1 134 134 GLN CB C 13 32.002 0.3 . 1 . . . . . 134 GLN CB . 52999 1 496 . 1 . 1 134 134 GLN N N 15 118.792 0.3 . 1 . . . . . 134 GLN N . 52999 1 497 . 1 . 1 135 135 ASP H H 1 8.156 0.020 . 1 . . . . . 135 ASP H . 52999 1 498 . 1 . 1 135 135 ASP CA C 13 53.803 0.3 . 1 . . . . . 135 ASP CA . 52999 1 499 . 1 . 1 135 135 ASP CB C 13 41.202 0.3 . 1 . . . . . 135 ASP CB . 52999 1 500 . 1 . 1 135 135 ASP N N 15 118.707 0.3 . 1 . . . . . 135 ASP N . 52999 1 501 . 1 . 1 136 136 TYR H H 1 7.680 0.020 . 1 . . . . . 136 TYR H . 52999 1 502 . 1 . 1 136 136 TYR CA C 13 58.058 0.3 . 1 . . . . . 136 TYR CA . 52999 1 503 . 1 . 1 136 136 TYR CB C 13 37.977 0.3 . 1 . . . . . 136 TYR CB . 52999 1 504 . 1 . 1 136 136 TYR N N 15 116.818 0.3 . 1 . . . . . 136 TYR N . 52999 1 505 . 1 . 1 137 137 GLU H H 1 8.204 0.020 . 1 . . . . . 137 GLU H . 52999 1 506 . 1 . 1 137 137 GLU CA C 13 53.827 0.3 . 1 . . . . . 137 GLU CA . 52999 1 507 . 1 . 1 137 137 GLU CB C 13 30.840 0.3 . 1 . . . . . 137 GLU CB . 52999 1 508 . 1 . 1 137 137 GLU N N 15 120.378 0.3 . 1 . . . . . 137 GLU N . 52999 1 509 . 1 . 1 139 139 GLU H H 1 7.973 0.020 . 1 . . . . . 139 GLU H . 52999 1 510 . 1 . 1 139 139 GLU CA C 13 55.826 0.3 . 1 . . . . . 139 GLU CA . 52999 1 511 . 1 . 1 139 139 GLU CB C 13 29.615 0.3 . 1 . . . . . 139 GLU CB . 52999 1 512 . 1 . 1 139 139 GLU N N 15 116.615 0.3 . 1 . . . . . 139 GLU N . 52999 1 513 . 1 . 1 140 140 ALA H H 1 8.069 0.020 . 1 . . . . . 140 ALA H . 52999 1 514 . 1 . 1 140 140 ALA CA C 13 51.827 0.3 . 1 . . . . . 140 ALA CA . 52999 1 515 . 1 . 1 140 140 ALA CB C 13 19.154 0.3 . 1 . . . . . 140 ALA CB . 52999 1 516 . 1 . 1 140 140 ALA N N 15 121.893 0.3 . 1 . . . . . 140 ALA N . 52999 1 stop_ save_