################################### # 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 50388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shifts of NSp3b+ADPr' _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 best-TROSY HSQC' . . . 50388 1 2 '2D HSQC HN' . . . 50388 1 3 '3D best-TROSYHNCACB' . . . 50388 1 4 '3D best-TROSY HN(CO)CACB' . . . 50388 1 5 '3D best-TROSY HNCO' . . . 50388 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 . . 50388 1 2 $software_2 . . 50388 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 HIS C C 13 174.76 0.300 . 1 . . . . . -1 HIS C . 50388 1 2 . 1 . 1 2 2 HIS CA C 13 55.94 0.300 . 1 . . . . . -1 HIS CA . 50388 1 3 . 1 . 1 2 2 HIS CB C 13 30.55 0.300 . 1 . . . . . -1 HIS CB . 50388 1 4 . 1 . 1 3 3 MET H H 1 8.44 0.020 . 1 . . . . . 0 MET H . 50388 1 5 . 1 . 1 3 3 MET C C 13 175.55 0.300 . 1 . . . . . 0 MET C . 50388 1 6 . 1 . 1 3 3 MET CA C 13 55.31 0.300 . 1 . . . . . 0 MET CA . 50388 1 7 . 1 . 1 3 3 MET CB C 13 32.65 0.300 . 1 . . . . . 0 MET CB . 50388 1 8 . 1 . 1 3 3 MET N N 15 122.27 0.300 . 1 . . . . . 0 MET N . 50388 1 9 . 1 . 1 4 4 VAL H H 1 7.96 0.020 . 1 . . . . . 1 VAL H . 50388 1 10 . 1 . 1 4 4 VAL C C 13 175.49 0.300 . 1 . . . . . 1 VAL C . 50388 1 11 . 1 . 1 4 4 VAL CA C 13 61.12 0.300 . 1 . . . . . 1 VAL CA . 50388 1 12 . 1 . 1 4 4 VAL CB C 13 33.16 0.300 . 1 . . . . . 1 VAL CB . 50388 1 13 . 1 . 1 4 4 VAL N N 15 119.35 0.300 . 1 . . . . . 1 VAL N . 50388 1 14 . 1 . 1 5 5 ASN H H 1 8.24 0.020 . 1 . . . . . 2 ASN H . 50388 1 15 . 1 . 1 5 5 ASN C C 13 174.73 0.300 . 1 . . . . . 2 ASN C . 50388 1 16 . 1 . 1 5 5 ASN CA C 13 53.77 0.300 . 1 . . . . . 2 ASN CA . 50388 1 17 . 1 . 1 5 5 ASN CB C 13 37.59 0.300 . 1 . . . . . 2 ASN CB . 50388 1 18 . 1 . 1 5 5 ASN N N 15 119.62 0.300 . 1 . . . . . 2 ASN N . 50388 1 19 . 1 . 1 6 6 SER H H 1 8.29 0.020 . 1 . . . . . 3 SER H . 50388 1 20 . 1 . 1 6 6 SER C C 13 173.87 0.300 . 1 . . . . . 3 SER C . 50388 1 21 . 1 . 1 6 6 SER CA C 13 56.55 0.300 . 1 . . . . . 3 SER CA . 50388 1 22 . 1 . 1 6 6 SER CB C 13 62.26 0.300 . 1 . . . . . 3 SER CB . 50388 1 23 . 1 . 1 6 6 SER N N 15 115.43 0.300 . 1 . . . . . 3 SER N . 50388 1 24 . 1 . 1 7 7 PHE H H 1 7.50 0.020 . 1 . . . . . 4 PHE H . 50388 1 25 . 1 . 1 7 7 PHE C C 13 176.41 0.300 . 1 . . . . . 4 PHE C . 50388 1 26 . 1 . 1 7 7 PHE CA C 13 58.46 0.300 . 1 . . . . . 4 PHE CA . 50388 1 27 . 1 . 1 7 7 PHE CB C 13 39.38 0.300 . 1 . . . . . 4 PHE CB . 50388 1 28 . 1 . 1 7 7 PHE N N 15 122.27 0.300 . 1 . . . . . 4 PHE N . 50388 1 29 . 1 . 1 8 8 SER H H 1 9.47 0.020 . 1 . . . . . 5 SER H . 50388 1 30 . 1 . 1 8 8 SER C C 13 174.02 0.300 . 1 . . . . . 5 SER C . 50388 1 31 . 1 . 1 8 8 SER CA C 13 57.62 0.300 . 1 . . . . . 5 SER CA . 50388 1 32 . 1 . 1 8 8 SER CB C 13 65.30 0.300 . 1 . . . . . 5 SER CB . 50388 1 33 . 1 . 1 8 8 SER N N 15 119.22 0.300 . 1 . . . . . 5 SER N . 50388 1 34 . 1 . 1 9 9 GLY H H 1 9.03 0.020 . 1 . . . . . 6 GLY H . 50388 1 35 . 1 . 1 9 9 GLY C C 13 174.95 0.300 . 1 . . . . . 6 GLY C . 50388 1 36 . 1 . 1 9 9 GLY CA C 13 46.16 0.300 . 1 . . . . . 6 GLY CA . 50388 1 37 . 1 . 1 9 9 GLY N N 15 111.73 0.300 . 1 . . . . . 6 GLY N . 50388 1 38 . 1 . 1 10 10 TYR H H 1 8.50 0.020 . 1 . . . . . 7 TYR H . 50388 1 39 . 1 . 1 10 10 TYR C C 13 175.44 0.300 . 1 . . . . . 7 TYR C . 50388 1 40 . 1 . 1 10 10 TYR CA C 13 58.58 0.300 . 1 . . . . . 7 TYR CA . 50388 1 41 . 1 . 1 10 10 TYR CB C 13 39.65 0.300 . 1 . . . . . 7 TYR CB . 50388 1 42 . 1 . 1 10 10 TYR N N 15 118.50 0.300 . 1 . . . . . 7 TYR N . 50388 1 43 . 1 . 1 11 11 LEU H H 1 9.65 0.020 . 1 . . . . . 8 LEU H . 50388 1 44 . 1 . 1 11 11 LEU C C 13 175.72 0.300 . 1 . . . . . 8 LEU C . 50388 1 45 . 1 . 1 11 11 LEU CA C 13 53.89 0.300 . 1 . . . . . 8 LEU CA . 50388 1 46 . 1 . 1 11 11 LEU CB C 13 43.58 0.300 . 1 . . . . . 8 LEU CB . 50388 1 47 . 1 . 1 11 11 LEU N N 15 125.66 0.300 . 1 . . . . . 8 LEU N . 50388 1 48 . 1 . 1 12 12 LYS H H 1 8.74 0.020 . 1 . . . . . 9 LYS H . 50388 1 49 . 1 . 1 12 12 LYS C C 13 175.38 0.300 . 1 . . . . . 9 LYS C . 50388 1 50 . 1 . 1 12 12 LYS CA C 13 57.33 0.300 . 1 . . . . . 9 LYS CA . 50388 1 51 . 1 . 1 12 12 LYS CB C 13 32.97 0.300 . 1 . . . . . 9 LYS CB . 50388 1 52 . 1 . 1 12 12 LYS N N 15 128.63 0.300 . 1 . . . . . 9 LYS N . 50388 1 53 . 1 . 1 13 13 LEU H H 1 8.68 0.020 . 1 . . . . . 10 LEU H . 50388 1 54 . 1 . 1 13 13 LEU C C 13 177.04 0.300 . 1 . . . . . 10 LEU C . 50388 1 55 . 1 . 1 13 13 LEU CA C 13 56.33 0.300 . 1 . . . . . 10 LEU CA . 50388 1 56 . 1 . 1 13 13 LEU CB C 13 42.02 0.300 . 1 . . . . . 10 LEU CB . 50388 1 57 . 1 . 1 13 13 LEU N N 15 128.19 0.300 . 1 . . . . . 10 LEU N . 50388 1 58 . 1 . 1 14 14 THR H H 1 7.75 0.020 . 1 . . . . . 11 THR H . 50388 1 59 . 1 . 1 14 14 THR C C 13 172.94 0.300 . 1 . . . . . 11 THR C . 50388 1 60 . 1 . 1 14 14 THR CA C 13 58.61 0.300 . 1 . . . . . 11 THR CA . 50388 1 61 . 1 . 1 14 14 THR CB C 13 71.36 0.300 . 1 . . . . . 11 THR CB . 50388 1 62 . 1 . 1 14 14 THR N N 15 109.39 0.300 . 1 . . . . . 11 THR N . 50388 1 63 . 1 . 1 15 15 ASP H H 1 8.30 0.020 . 1 . . . . . 12 ASP H . 50388 1 64 . 1 . 1 15 15 ASP C C 13 175.89 0.300 . 1 . . . . . 12 ASP C . 50388 1 65 . 1 . 1 15 15 ASP CA C 13 57.42 0.300 . 1 . . . . . 12 ASP CA . 50388 1 66 . 1 . 1 15 15 ASP CB C 13 40.73 0.300 . 1 . . . . . 12 ASP CB . 50388 1 67 . 1 . 1 15 15 ASP N N 15 113.25 0.300 . 1 . . . . . 12 ASP N . 50388 1 68 . 1 . 1 16 16 ASN H H 1 7.84 0.020 . 1 . . . . . 13 ASN H . 50388 1 69 . 1 . 1 16 16 ASN C C 13 170.84 0.300 . 1 . . . . . 13 ASN C . 50388 1 70 . 1 . 1 16 16 ASN CA C 13 53.05 0.300 . 1 . . . . . 13 ASN CA . 50388 1 71 . 1 . 1 16 16 ASN CB C 13 40.03 0.300 . 1 . . . . . 13 ASN CB . 50388 1 72 . 1 . 1 16 16 ASN N N 15 111.34 0.300 . 1 . . . . . 13 ASN N . 50388 1 73 . 1 . 1 17 17 VAL H H 1 6.73 0.020 . 1 . . . . . 14 VAL H . 50388 1 74 . 1 . 1 17 17 VAL C C 13 172.47 0.300 . 1 . . . . . 14 VAL C . 50388 1 75 . 1 . 1 17 17 VAL CA C 13 61.97 0.300 . 1 . . . . . 14 VAL CA . 50388 1 76 . 1 . 1 17 17 VAL CB C 13 32.02 0.300 . 1 . . . . . 14 VAL CB . 50388 1 77 . 1 . 1 17 17 VAL N N 15 119.20 0.300 . 1 . . . . . 14 VAL N . 50388 1 78 . 1 . 1 18 18 TYR H H 1 8.67 0.020 . 1 . . . . . 15 TYR H . 50388 1 79 . 1 . 1 18 18 TYR C C 13 174.89 0.300 . 1 . . . . . 15 TYR C . 50388 1 80 . 1 . 1 18 18 TYR CA C 13 55.45 0.300 . 1 . . . . . 15 TYR CA . 50388 1 81 . 1 . 1 18 18 TYR CB C 13 42.06 0.300 . 1 . . . . . 15 TYR CB . 50388 1 82 . 1 . 1 18 18 TYR N N 15 127.59 0.300 . 1 . . . . . 15 TYR N . 50388 1 83 . 1 . 1 19 19 ILE H H 1 9.80 0.020 . 1 . . . . . 16 ILE H . 50388 1 84 . 1 . 1 19 19 ILE C C 13 172.41 0.300 . 1 . . . . . 16 ILE C . 50388 1 85 . 1 . 1 19 19 ILE CA C 13 60.15 0.300 . 1 . . . . . 16 ILE CA . 50388 1 86 . 1 . 1 19 19 ILE CB C 13 44.07 0.300 . 1 . . . . . 16 ILE CB . 50388 1 87 . 1 . 1 19 19 ILE N N 15 120.54 0.300 . 1 . . . . . 16 ILE N . 50388 1 88 . 1 . 1 20 20 LYS H H 1 9.02 0.020 . 1 . . . . . 17 LYS H . 50388 1 89 . 1 . 1 20 20 LYS C C 13 173.19 0.300 . 1 . . . . . 17 LYS C . 50388 1 90 . 1 . 1 20 20 LYS CA C 13 55.86 0.300 . 1 . . . . . 17 LYS CA . 50388 1 91 . 1 . 1 20 20 LYS CB C 13 38.73 0.300 . 1 . . . . . 17 LYS CB . 50388 1 92 . 1 . 1 20 20 LYS N N 15 127.78 0.300 . 1 . . . . . 17 LYS N . 50388 1 93 . 1 . 1 21 21 ASN H H 1 8.30 0.020 . 1 . . . . . 18 ASN H . 50388 1 94 . 1 . 1 21 21 ASN C C 13 172.23 0.300 . 1 . . . . . 18 ASN C . 50388 1 95 . 1 . 1 21 21 ASN CA C 13 49.97 0.300 . 1 . . . . . 18 ASN CA . 50388 1 96 . 1 . 1 21 21 ASN CB C 13 36.50 0.300 . 1 . . . . . 18 ASN CB . 50388 1 97 . 1 . 1 21 21 ASN N N 15 124.64 0.300 . 1 . . . . . 18 ASN N . 50388 1 98 . 1 . 1 22 22 ALA H H 1 7.72 0.020 . 1 . . . . . 19 ALA H . 50388 1 99 . 1 . 1 22 22 ALA C C 13 173.86 0.300 . 1 . . . . . 19 ALA C . 50388 1 100 . 1 . 1 22 22 ALA CA C 13 51.15 0.300 . 1 . . . . . 19 ALA CA . 50388 1 101 . 1 . 1 22 22 ALA CB C 13 22.30 0.300 . 1 . . . . . 19 ALA CB . 50388 1 102 . 1 . 1 22 22 ALA N N 15 128.81 0.300 . 1 . . . . . 19 ALA N . 50388 1 103 . 1 . 1 23 23 ASP H H 1 8.45 0.020 . 1 . . . . . 20 ASP H . 50388 1 104 . 1 . 1 23 23 ASP C C 13 178.07 0.300 . 1 . . . . . 20 ASP C . 50388 1 105 . 1 . 1 23 23 ASP CA C 13 52.58 0.300 . 1 . . . . . 20 ASP CA . 50388 1 106 . 1 . 1 23 23 ASP CB C 13 42.24 0.300 . 1 . . . . . 20 ASP CB . 50388 1 107 . 1 . 1 23 23 ASP N N 15 117.92 0.300 . 1 . . . . . 20 ASP N . 50388 1 108 . 1 . 1 24 24 ILE H H 1 10.97 0.020 . 1 . . . . . 21 ILE H . 50388 1 109 . 1 . 1 24 24 ILE C C 13 175.17 0.300 . 1 . . . . . 21 ILE C . 50388 1 110 . 1 . 1 24 24 ILE CA C 13 65.85 0.300 . 1 . . . . . 21 ILE CA . 50388 1 111 . 1 . 1 24 24 ILE CB C 13 38.95 0.300 . 1 . . . . . 21 ILE CB . 50388 1 112 . 1 . 1 24 24 ILE N N 15 131.54 0.300 . 1 . . . . . 21 ILE N . 50388 1 113 . 1 . 1 25 25 VAL H H 1 8.36 0.020 . 1 . . . . . 22 VAL H . 50388 1 114 . 1 . 1 25 25 VAL C C 13 177.51 0.300 . 1 . . . . . 22 VAL C . 50388 1 115 . 1 . 1 25 25 VAL CA C 13 66.79 0.300 . 1 . . . . . 22 VAL CA . 50388 1 116 . 1 . 1 25 25 VAL CB C 13 30.94 0.300 . 1 . . . . . 22 VAL CB . 50388 1 117 . 1 . 1 25 25 VAL N N 15 122.05 0.300 . 1 . . . . . 22 VAL N . 50388 1 118 . 1 . 1 26 26 GLU H H 1 6.86 0.020 . 1 . . . . . 23 GLU H . 50388 1 119 . 1 . 1 26 26 GLU C C 13 180.00 0.300 . 1 . . . . . 23 GLU C . 50388 1 120 . 1 . 1 26 26 GLU CA C 13 58.53 0.300 . 1 . . . . . 23 GLU CA . 50388 1 121 . 1 . 1 26 26 GLU CB C 13 29.21 0.300 . 1 . . . . . 23 GLU CB . 50388 1 122 . 1 . 1 26 26 GLU N N 15 117.75 0.300 . 1 . . . . . 23 GLU N . 50388 1 123 . 1 . 1 27 27 GLU H H 1 8.34 0.020 . 1 . . . . . 24 GLU H . 50388 1 124 . 1 . 1 27 27 GLU C C 13 177.52 0.300 . 1 . . . . . 24 GLU C . 50388 1 125 . 1 . 1 27 27 GLU CA C 13 58.53 0.300 . 1 . . . . . 24 GLU CA . 50388 1 126 . 1 . 1 27 27 GLU CB C 13 30.52 0.300 . 1 . . . . . 24 GLU CB . 50388 1 127 . 1 . 1 27 27 GLU N N 15 117.99 0.300 . 1 . . . . . 24 GLU N . 50388 1 128 . 1 . 1 28 28 ALA H H 1 8.48 0.020 . 1 . . . . . 25 ALA H . 50388 1 129 . 1 . 1 28 28 ALA C C 13 179.46 0.300 . 1 . . . . . 25 ALA C . 50388 1 130 . 1 . 1 28 28 ALA CA C 13 55.76 0.300 . 1 . . . . . 25 ALA CA . 50388 1 131 . 1 . 1 28 28 ALA CB C 13 16.61 0.300 . 1 . . . . . 25 ALA CB . 50388 1 132 . 1 . 1 28 28 ALA N N 15 122.52 0.300 . 1 . . . . . 25 ALA N . 50388 1 133 . 1 . 1 29 29 LYS H H 1 7.94 0.020 . 1 . . . . . 26 LYS H . 50388 1 134 . 1 . 1 29 29 LYS C C 13 178.22 0.300 . 1 . . . . . 26 LYS C . 50388 1 135 . 1 . 1 29 29 LYS CA C 13 59.68 0.300 . 1 . . . . . 26 LYS CA . 50388 1 136 . 1 . 1 29 29 LYS CB C 13 32.65 0.300 . 1 . . . . . 26 LYS CB . 50388 1 137 . 1 . 1 29 29 LYS N N 15 114.65 0.300 . 1 . . . . . 26 LYS N . 50388 1 138 . 1 . 1 30 30 LYS H H 1 7.49 0.020 . 1 . . . . . 27 LYS H . 50388 1 139 . 1 . 1 30 30 LYS C C 13 177.91 0.300 . 1 . . . . . 27 LYS C . 50388 1 140 . 1 . 1 30 30 LYS CA C 13 58.25 0.300 . 1 . . . . . 27 LYS CA . 50388 1 141 . 1 . 1 30 30 LYS CB C 13 33.60 0.300 . 1 . . . . . 27 LYS CB . 50388 1 142 . 1 . 1 30 30 LYS N N 15 116.65 0.300 . 1 . . . . . 27 LYS N . 50388 1 143 . 1 . 1 31 31 VAL H H 1 8.52 0.020 . 1 . . . . . 28 VAL H . 50388 1 144 . 1 . 1 31 31 VAL C C 13 175.90 0.300 . 1 . . . . . 28 VAL C . 50388 1 145 . 1 . 1 31 31 VAL CA C 13 63.50 0.300 . 1 . . . . . 28 VAL CA . 50388 1 146 . 1 . 1 31 31 VAL CB C 13 33.05 0.300 . 1 . . . . . 28 VAL CB . 50388 1 147 . 1 . 1 31 31 VAL N N 15 117.65 0.300 . 1 . . . . . 28 VAL N . 50388 1 148 . 1 . 1 32 32 LYS H H 1 8.28 0.020 . 1 . . . . . 29 LYS H . 50388 1 149 . 1 . 1 32 32 LYS CA C 13 55.66 0.300 . 1 . . . . . 29 LYS CA . 50388 1 150 . 1 . 1 32 32 LYS CB C 13 29.36 0.300 . 1 . . . . . 29 LYS CB . 50388 1 151 . 1 . 1 32 32 LYS N N 15 114.16 0.300 . 1 . . . . . 29 LYS N . 50388 1 152 . 1 . 1 33 33 PRO C C 13 176.69 0.300 . 1 . . . . . 30 PRO C . 50388 1 153 . 1 . 1 33 33 PRO CA C 13 61.79 0.300 . 1 . . . . . 30 PRO CA . 50388 1 154 . 1 . 1 33 33 PRO CB C 13 31.96 0.300 . 1 . . . . . 30 PRO CB . 50388 1 155 . 1 . 1 34 34 THR H H 1 8.54 0.020 . 1 . . . . . 31 THR H . 50388 1 156 . 1 . 1 34 34 THR C C 13 174.93 0.300 . 1 . . . . . 31 THR C . 50388 1 157 . 1 . 1 34 34 THR CA C 13 66.12 0.300 . 1 . . . . . 31 THR CA . 50388 1 158 . 1 . 1 34 34 THR CB C 13 68.74 0.300 . 1 . . . . . 31 THR CB . 50388 1 159 . 1 . 1 34 34 THR N N 15 115.89 0.300 . 1 . . . . . 31 THR N . 50388 1 160 . 1 . 1 35 35 VAL H H 1 8.54 0.020 . 1 . . . . . 32 VAL H . 50388 1 161 . 1 . 1 35 35 VAL C C 13 174.01 0.300 . 1 . . . . . 32 VAL C . 50388 1 162 . 1 . 1 35 35 VAL CA C 13 61.18 0.300 . 1 . . . . . 32 VAL CA . 50388 1 163 . 1 . 1 35 35 VAL CB C 13 35.68 0.300 . 1 . . . . . 32 VAL CB . 50388 1 164 . 1 . 1 35 35 VAL N N 15 118.23 0.300 . 1 . . . . . 32 VAL N . 50388 1 165 . 1 . 1 36 36 VAL H H 1 7.93 0.020 . 1 . . . . . 33 VAL H . 50388 1 166 . 1 . 1 36 36 VAL C C 13 172.01 0.300 . 1 . . . . . 33 VAL C . 50388 1 167 . 1 . 1 36 36 VAL CA C 13 57.40 0.300 . 1 . . . . . 33 VAL CA . 50388 1 168 . 1 . 1 36 36 VAL CB C 13 35.22 0.300 . 1 . . . . . 33 VAL CB . 50388 1 169 . 1 . 1 36 36 VAL N N 15 125.37 0.300 . 1 . . . . . 33 VAL N . 50388 1 170 . 1 . 1 37 37 VAL H H 1 8.69 0.020 . 1 . . . . . 34 VAL H . 50388 1 171 . 1 . 1 37 37 VAL C C 13 172.85 0.300 . 1 . . . . . 34 VAL C . 50388 1 172 . 1 . 1 37 37 VAL CA C 13 60.56 0.300 . 1 . . . . . 34 VAL CA . 50388 1 173 . 1 . 1 37 37 VAL CB C 13 32.99 0.300 . 1 . . . . . 34 VAL CB . 50388 1 174 . 1 . 1 37 37 VAL N N 15 129.68 0.300 . 1 . . . . . 34 VAL N . 50388 1 175 . 1 . 1 57 57 ALA H H 1 7.69 0.020 . 1 . . . . . 54 ALA H . 50388 1 176 . 1 . 1 57 57 ALA C C 13 178.63 0.300 . 1 . . . . . 54 ALA C . 50388 1 177 . 1 . 1 57 57 ALA CA C 13 54.52 0.300 . 1 . . . . . 54 ALA CA . 50388 1 178 . 1 . 1 57 57 ALA CB C 13 19.29 0.300 . 1 . . . . . 54 ALA CB . 50388 1 179 . 1 . 1 57 57 ALA N N 15 122.34 0.300 . 1 . . . . . 54 ALA N . 50388 1 180 . 1 . 1 58 58 THR H H 1 7.64 0.020 . 1 . . . . . 55 THR H . 50388 1 181 . 1 . 1 58 58 THR C C 13 175.99 0.300 . 1 . . . . . 55 THR C . 50388 1 182 . 1 . 1 58 58 THR CA C 13 61.06 0.300 . 1 . . . . . 55 THR CA . 50388 1 183 . 1 . 1 58 58 THR CB C 13 70.81 0.300 . 1 . . . . . 55 THR CB . 50388 1 184 . 1 . 1 58 58 THR N N 15 107.40 0.300 . 1 . . . . . 55 THR N . 50388 1 185 . 1 . 1 59 59 ASN H H 1 8.55 0.020 . 1 . . . . . 56 ASN H . 50388 1 186 . 1 . 1 59 59 ASN C C 13 175.45 0.300 . 1 . . . . . 56 ASN C . 50388 1 187 . 1 . 1 59 59 ASN CA C 13 54.48 0.300 . 1 . . . . . 56 ASN CA . 50388 1 188 . 1 . 1 59 59 ASN CB C 13 36.59 0.300 . 1 . . . . . 56 ASN CB . 50388 1 189 . 1 . 1 59 59 ASN N N 15 122.07 0.300 . 1 . . . . . 56 ASN N . 50388 1 190 . 1 . 1 60 60 ASN H H 1 7.57 0.020 . 1 . . . . . 57 ASN H . 50388 1 191 . 1 . 1 60 60 ASN C C 13 174.37 0.300 . 1 . . . . . 57 ASN C . 50388 1 192 . 1 . 1 60 60 ASN CA C 13 54.66 0.300 . 1 . . . . . 57 ASN CA . 50388 1 193 . 1 . 1 60 60 ASN CB C 13 39.90 0.300 . 1 . . . . . 57 ASN CB . 50388 1 194 . 1 . 1 60 60 ASN N N 15 110.18 0.300 . 1 . . . . . 57 ASN N . 50388 1 195 . 1 . 1 61 61 ALA H H 1 7.61 0.020 . 1 . . . . . 58 ALA H . 50388 1 196 . 1 . 1 61 61 ALA C C 13 180.72 0.300 . 1 . . . . . 58 ALA C . 50388 1 197 . 1 . 1 61 61 ALA CA C 13 54.89 0.300 . 1 . . . . . 58 ALA CA . 50388 1 198 . 1 . 1 61 61 ALA CB C 13 18.28 0.300 . 1 . . . . . 58 ALA CB . 50388 1 199 . 1 . 1 61 61 ALA N N 15 123.95 0.300 . 1 . . . . . 58 ALA N . 50388 1 200 . 1 . 1 62 62 MET H H 1 8.19 0.020 . 1 . . . . . 59 MET H . 50388 1 201 . 1 . 1 62 62 MET C C 13 179.18 0.300 . 1 . . . . . 59 MET C . 50388 1 202 . 1 . 1 62 62 MET CA C 13 59.28 0.300 . 1 . . . . . 59 MET CA . 50388 1 203 . 1 . 1 62 62 MET CB C 13 33.36 0.300 . 1 . . . . . 59 MET CB . 50388 1 204 . 1 . 1 62 62 MET N N 15 116.44 0.300 . 1 . . . . . 59 MET N . 50388 1 205 . 1 . 1 63 63 GLN H H 1 8.28 0.020 . 1 . . . . . 60 GLN H . 50388 1 206 . 1 . 1 63 63 GLN C C 13 176.98 0.300 . 1 . . . . . 60 GLN C . 50388 1 207 . 1 . 1 63 63 GLN CA C 13 58.05 0.300 . 1 . . . . . 60 GLN CA . 50388 1 208 . 1 . 1 63 63 GLN CB C 13 29.59 0.300 . 1 . . . . . 60 GLN CB . 50388 1 209 . 1 . 1 63 63 GLN N N 15 125.27 0.300 . 1 . . . . . 60 GLN N . 50388 1 210 . 1 . 1 64 64 VAL H H 1 7.81 0.020 . 1 . . . . . 61 VAL H . 50388 1 211 . 1 . 1 64 64 VAL C C 13 178.82 0.300 . 1 . . . . . 61 VAL C . 50388 1 212 . 1 . 1 64 64 VAL CA C 13 66.60 0.300 . 1 . . . . . 61 VAL CA . 50388 1 213 . 1 . 1 64 64 VAL CB C 13 32.33 0.300 . 1 . . . . . 61 VAL CB . 50388 1 214 . 1 . 1 64 64 VAL N N 15 121.03 0.300 . 1 . . . . . 61 VAL N . 50388 1 215 . 1 . 1 65 65 GLU H H 1 7.99 0.020 . 1 . . . . . 62 GLU H . 50388 1 216 . 1 . 1 65 65 GLU C C 13 180.04 0.300 . 1 . . . . . 62 GLU C . 50388 1 217 . 1 . 1 65 65 GLU CA C 13 58.62 0.300 . 1 . . . . . 62 GLU CA . 50388 1 218 . 1 . 1 65 65 GLU CB C 13 30.55 0.300 . 1 . . . . . 62 GLU CB . 50388 1 219 . 1 . 1 65 65 GLU N N 15 120.51 0.300 . 1 . . . . . 62 GLU N . 50388 1 220 . 1 . 1 66 66 SER H H 1 8.52 0.020 . 1 . . . . . 63 SER H . 50388 1 221 . 1 . 1 66 66 SER C C 13 174.17 0.300 . 1 . . . . . 63 SER C . 50388 1 222 . 1 . 1 66 66 SER CA C 13 62.52 0.300 . 1 . . . . . 63 SER CA . 50388 1 223 . 1 . 1 66 66 SER CB C 13 63.39 0.300 . 1 . . . . . 63 SER CB . 50388 1 224 . 1 . 1 66 66 SER N N 15 117.34 0.300 . 1 . . . . . 63 SER N . 50388 1 225 . 1 . 1 67 67 ASP H H 1 8.76 0.020 . 1 . . . . . 64 ASP H . 50388 1 226 . 1 . 1 67 67 ASP C C 13 179.65 0.300 . 1 . . . . . 64 ASP C . 50388 1 227 . 1 . 1 67 67 ASP CA C 13 57.25 0.300 . 1 . . . . . 64 ASP CA . 50388 1 228 . 1 . 1 67 67 ASP CB C 13 39.62 0.300 . 1 . . . . . 64 ASP CB . 50388 1 229 . 1 . 1 67 67 ASP N N 15 122.83 0.300 . 1 . . . . . 64 ASP N . 50388 1 230 . 1 . 1 68 68 ASP H H 1 7.68 0.020 . 1 . . . . . 65 ASP H . 50388 1 231 . 1 . 1 68 68 ASP C C 13 177.86 0.300 . 1 . . . . . 65 ASP C . 50388 1 232 . 1 . 1 68 68 ASP CA C 13 57.42 0.300 . 1 . . . . . 65 ASP CA . 50388 1 233 . 1 . 1 68 68 ASP CB C 13 40.97 0.300 . 1 . . . . . 65 ASP CB . 50388 1 234 . 1 . 1 68 68 ASP N N 15 121.31 0.300 . 1 . . . . . 65 ASP N . 50388 1 235 . 1 . 1 69 69 TYR H H 1 8.30 0.020 . 1 . . . . . 66 TYR H . 50388 1 236 . 1 . 1 69 69 TYR C C 13 178.67 0.300 . 1 . . . . . 66 TYR C . 50388 1 237 . 1 . 1 69 69 TYR CA C 13 62.42 0.300 . 1 . . . . . 66 TYR CA . 50388 1 238 . 1 . 1 69 69 TYR CB C 13 37.87 0.300 . 1 . . . . . 66 TYR CB . 50388 1 239 . 1 . 1 69 69 TYR N N 15 122.41 0.300 . 1 . . . . . 66 TYR N . 50388 1 240 . 1 . 1 70 70 ILE H H 1 8.68 0.020 . 1 . . . . . 67 ILE H . 50388 1 241 . 1 . 1 70 70 ILE C C 13 179.70 0.300 . 1 . . . . . 67 ILE C . 50388 1 242 . 1 . 1 70 70 ILE CA C 13 60.69 0.300 . 1 . . . . . 67 ILE CA . 50388 1 243 . 1 . 1 70 70 ILE CB C 13 35.45 0.300 . 1 . . . . . 67 ILE CB . 50388 1 244 . 1 . 1 70 70 ILE N N 15 122.39 0.300 . 1 . . . . . 67 ILE N . 50388 1 245 . 1 . 1 71 71 ALA H H 1 8.28 0.020 . 1 . . . . . 68 ALA H . 50388 1 246 . 1 . 1 71 71 ALA C C 13 179.39 0.300 . 1 . . . . . 68 ALA C . 50388 1 247 . 1 . 1 71 71 ALA CA C 13 55.17 0.300 . 1 . . . . . 68 ALA CA . 50388 1 248 . 1 . 1 71 71 ALA CB C 13 17.94 0.300 . 1 . . . . . 68 ALA CB . 50388 1 249 . 1 . 1 71 71 ALA N N 15 123.70 0.300 . 1 . . . . . 68 ALA N . 50388 1 250 . 1 . 1 72 72 THR H H 1 7.49 0.020 . 1 . . . . . 69 THR H . 50388 1 251 . 1 . 1 72 72 THR C C 13 175.14 0.300 . 1 . . . . . 69 THR C . 50388 1 252 . 1 . 1 72 72 THR CA C 13 64.64 0.300 . 1 . . . . . 69 THR CA . 50388 1 253 . 1 . 1 72 72 THR CB C 13 69.64 0.300 . 1 . . . . . 69 THR CB . 50388 1 254 . 1 . 1 72 72 THR N N 15 110.28 0.300 . 1 . . . . . 69 THR N . 50388 1 255 . 1 . 1 73 73 ASN H H 1 8.33 0.020 . 1 . . . . . 70 ASN H . 50388 1 256 . 1 . 1 73 73 ASN C C 13 175.74 0.300 . 1 . . . . . 70 ASN C . 50388 1 257 . 1 . 1 73 73 ASN CA C 13 54.88 0.300 . 1 . . . . . 70 ASN CA . 50388 1 258 . 1 . 1 73 73 ASN CB C 13 41.03 0.300 . 1 . . . . . 70 ASN CB . 50388 1 259 . 1 . 1 73 73 ASN N N 15 117.05 0.300 . 1 . . . . . 70 ASN N . 50388 1 260 . 1 . 1 74 74 GLY H H 1 8.32 0.020 . 1 . . . . . 71 GLY H . 50388 1 261 . 1 . 1 74 74 GLY CA C 13 44.45 0.300 . 1 . . . . . 71 GLY CA . 50388 1 262 . 1 . 1 74 74 GLY N N 15 110.52 0.300 . 1 . . . . . 71 GLY N . 50388 1 263 . 1 . 1 75 75 PRO C C 13 177.79 0.300 . 1 . . . . . 72 PRO C . 50388 1 264 . 1 . 1 75 75 PRO CA C 13 62.22 0.300 . 1 . . . . . 72 PRO CA . 50388 1 265 . 1 . 1 75 75 PRO CB C 13 31.81 0.300 . 1 . . . . . 72 PRO CB . 50388 1 266 . 1 . 1 76 76 LEU H H 1 8.43 0.020 . 1 . . . . . 73 LEU H . 50388 1 267 . 1 . 1 76 76 LEU C C 13 174.97 0.300 . 1 . . . . . 73 LEU C . 50388 1 268 . 1 . 1 76 76 LEU CA C 13 54.99 0.300 . 1 . . . . . 73 LEU CA . 50388 1 269 . 1 . 1 76 76 LEU CB C 13 44.10 0.300 . 1 . . . . . 73 LEU CB . 50388 1 270 . 1 . 1 76 76 LEU N N 15 121.12 0.300 . 1 . . . . . 73 LEU N . 50388 1 271 . 1 . 1 77 77 LYS H H 1 7.69 0.020 . 1 . . . . . 74 LYS H . 50388 1 272 . 1 . 1 77 77 LYS C C 13 177.04 0.300 . 1 . . . . . 74 LYS C . 50388 1 273 . 1 . 1 77 77 LYS CA C 13 54.05 0.300 . 1 . . . . . 74 LYS CA . 50388 1 274 . 1 . 1 77 77 LYS CB C 13 33.91 0.300 . 1 . . . . . 74 LYS CB . 50388 1 275 . 1 . 1 77 77 LYS N N 15 115.38 0.300 . 1 . . . . . 74 LYS N . 50388 1 276 . 1 . 1 78 78 VAL H H 1 8.32 0.020 . 1 . . . . . 75 VAL H . 50388 1 277 . 1 . 1 78 78 VAL C C 13 177.57 0.300 . 1 . . . . . 75 VAL C . 50388 1 278 . 1 . 1 78 78 VAL CA C 13 65.56 0.300 . 1 . . . . . 75 VAL CA . 50388 1 279 . 1 . 1 78 78 VAL CB C 13 29.79 0.300 . 1 . . . . . 75 VAL CB . 50388 1 280 . 1 . 1 78 78 VAL N N 15 122.13 0.300 . 1 . . . . . 75 VAL N . 50388 1 281 . 1 . 1 79 79 GLY H H 1 9.09 0.020 . 1 . . . . . 76 GLY H . 50388 1 282 . 1 . 1 79 79 GLY C C 13 173.02 0.300 . 1 . . . . . 76 GLY C . 50388 1 283 . 1 . 1 79 79 GLY CA C 13 44.88 0.300 . 1 . . . . . 76 GLY CA . 50388 1 284 . 1 . 1 79 79 GLY N N 15 118.42 0.300 . 1 . . . . . 76 GLY N . 50388 1 285 . 1 . 1 80 80 GLY H H 1 8.55 0.020 . 1 . . . . . 77 GLY H . 50388 1 286 . 1 . 1 80 80 GLY C C 13 171.24 0.300 . 1 . . . . . 77 GLY C . 50388 1 287 . 1 . 1 80 80 GLY CA C 13 43.53 0.300 . 1 . . . . . 77 GLY CA . 50388 1 288 . 1 . 1 80 80 GLY N N 15 108.73 0.300 . 1 . . . . . 77 GLY N . 50388 1 289 . 1 . 1 81 81 SER H H 1 7.92 0.020 . 1 . . . . . 78 SER H . 50388 1 290 . 1 . 1 81 81 SER C C 13 173.72 0.300 . 1 . . . . . 78 SER C . 50388 1 291 . 1 . 1 81 81 SER CA C 13 57.10 0.300 . 1 . . . . . 78 SER CA . 50388 1 292 . 1 . 1 81 81 SER CB C 13 68.74 0.300 . 1 . . . . . 78 SER CB . 50388 1 293 . 1 . 1 81 81 SER N N 15 106.24 0.300 . 1 . . . . . 78 SER N . 50388 1 294 . 1 . 1 82 82 CYS H H 1 8.75 0.020 . 1 . . . . . 79 CYS H . 50388 1 295 . 1 . 1 82 82 CYS C C 13 171.49 0.300 . 1 . . . . . 79 CYS C . 50388 1 296 . 1 . 1 82 82 CYS CA C 13 55.78 0.300 . 1 . . . . . 79 CYS CA . 50388 1 297 . 1 . 1 82 82 CYS CB C 13 30.64 0.300 . 1 . . . . . 79 CYS CB . 50388 1 298 . 1 . 1 82 82 CYS N N 15 112.39 0.300 . 1 . . . . . 79 CYS N . 50388 1 299 . 1 . 1 83 83 VAL H H 1 8.45 0.020 . 1 . . . . . 80 VAL H . 50388 1 300 . 1 . 1 83 83 VAL C C 13 175.24 0.300 . 1 . . . . . 80 VAL C . 50388 1 301 . 1 . 1 83 83 VAL CA C 13 61.38 0.300 . 1 . . . . . 80 VAL CA . 50388 1 302 . 1 . 1 83 83 VAL CB C 13 32.28 0.300 . 1 . . . . . 80 VAL CB . 50388 1 303 . 1 . 1 83 83 VAL N N 15 121.79 0.300 . 1 . . . . . 80 VAL N . 50388 1 304 . 1 . 1 84 84 LEU H H 1 9.01 0.020 . 1 . . . . . 81 LEU H . 50388 1 305 . 1 . 1 84 84 LEU C C 13 176.72 0.300 . 1 . . . . . 81 LEU C . 50388 1 306 . 1 . 1 84 84 LEU CA C 13 52.82 0.300 . 1 . . . . . 81 LEU CA . 50388 1 307 . 1 . 1 84 84 LEU CB C 13 44.79 0.300 . 1 . . . . . 81 LEU CB . 50388 1 308 . 1 . 1 84 84 LEU N N 15 130.15 0.300 . 1 . . . . . 81 LEU N . 50388 1 309 . 1 . 1 85 85 SER H H 1 10.11 0.020 . 1 . . . . . 82 SER H . 50388 1 310 . 1 . 1 85 85 SER C C 13 175.27 0.300 . 1 . . . . . 82 SER C . 50388 1 311 . 1 . 1 85 85 SER CA C 13 59.67 0.300 . 1 . . . . . 82 SER CA . 50388 1 312 . 1 . 1 85 85 SER CB C 13 62.97 0.300 . 1 . . . . . 82 SER CB . 50388 1 313 . 1 . 1 85 85 SER N N 15 118.65 0.300 . 1 . . . . . 82 SER N . 50388 1 314 . 1 . 1 86 86 GLY H H 1 7.28 0.020 . 1 . . . . . 83 GLY H . 50388 1 315 . 1 . 1 86 86 GLY C C 13 173.58 0.300 . 1 . . . . . 83 GLY C . 50388 1 316 . 1 . 1 86 86 GLY CA C 13 45.27 0.300 . 1 . . . . . 83 GLY CA . 50388 1 317 . 1 . 1 86 86 GLY N N 15 110.93 0.300 . 1 . . . . . 83 GLY N . 50388 1 318 . 1 . 1 87 87 HIS H H 1 8.64 0.020 . 1 . . . . . 84 HIS H . 50388 1 319 . 1 . 1 87 87 HIS C C 13 174.00 0.300 . 1 . . . . . 84 HIS C . 50388 1 320 . 1 . 1 87 87 HIS CA C 13 57.66 0.300 . 1 . . . . . 84 HIS CA . 50388 1 321 . 1 . 1 87 87 HIS CB C 13 28.55 0.300 . 1 . . . . . 84 HIS CB . 50388 1 322 . 1 . 1 87 87 HIS N N 15 117.65 0.300 . 1 . . . . . 84 HIS N . 50388 1 323 . 1 . 1 88 88 ASN H H 1 9.37 0.020 . 1 . . . . . 85 ASN H . 50388 1 324 . 1 . 1 88 88 ASN C C 13 174.47 0.300 . 1 . . . . . 85 ASN C . 50388 1 325 . 1 . 1 88 88 ASN CA C 13 53.60 0.300 . 1 . . . . . 85 ASN CA . 50388 1 326 . 1 . 1 88 88 ASN CB C 13 35.99 0.300 . 1 . . . . . 85 ASN CB . 50388 1 327 . 1 . 1 88 88 ASN N N 15 116.08 0.300 . 1 . . . . . 85 ASN N . 50388 1 328 . 1 . 1 89 89 LEU H H 1 8.36 0.020 . 1 . . . . . 86 LEU H . 50388 1 329 . 1 . 1 89 89 LEU C C 13 174.16 0.300 . 1 . . . . . 86 LEU C . 50388 1 330 . 1 . 1 89 89 LEU CA C 13 55.69 0.300 . 1 . . . . . 86 LEU CA . 50388 1 331 . 1 . 1 89 89 LEU CB C 13 43.94 0.300 . 1 . . . . . 86 LEU CB . 50388 1 332 . 1 . 1 89 89 LEU N N 15 120.06 0.300 . 1 . . . . . 86 LEU N . 50388 1 333 . 1 . 1 90 90 ALA H H 1 6.99 0.020 . 1 . . . . . 87 ALA H . 50388 1 334 . 1 . 1 90 90 ALA C C 13 176.22 0.300 . 1 . . . . . 87 ALA C . 50388 1 335 . 1 . 1 90 90 ALA CA C 13 50.45 0.300 . 1 . . . . . 87 ALA CA . 50388 1 336 . 1 . 1 90 90 ALA CB C 13 23.39 0.300 . 1 . . . . . 87 ALA CB . 50388 1 337 . 1 . 1 90 90 ALA N N 15 115.68 0.300 . 1 . . . . . 87 ALA N . 50388 1 338 . 1 . 1 91 91 LYS H H 1 7.47 0.020 . 1 . . . . . 88 LYS H . 50388 1 339 . 1 . 1 91 91 LYS C C 13 178.09 0.300 . 1 . . . . . 88 LYS C . 50388 1 340 . 1 . 1 91 91 LYS CA C 13 60.21 0.300 . 1 . . . . . 88 LYS CA . 50388 1 341 . 1 . 1 91 91 LYS CB C 13 31.44 0.300 . 1 . . . . . 88 LYS CB . 50388 1 342 . 1 . 1 91 91 LYS N N 15 119.84 0.300 . 1 . . . . . 88 LYS N . 50388 1 343 . 1 . 1 92 92 HIS H H 1 8.37 0.020 . 1 . . . . . 89 HIS H . 50388 1 344 . 1 . 1 92 92 HIS C C 13 173.05 0.300 . 1 . . . . . 89 HIS C . 50388 1 345 . 1 . 1 92 92 HIS CA C 13 54.06 0.300 . 1 . . . . . 89 HIS CA . 50388 1 346 . 1 . 1 92 92 HIS CB C 13 33.70 0.300 . 1 . . . . . 89 HIS CB . 50388 1 347 . 1 . 1 92 92 HIS N N 15 115.66 0.300 . 1 . . . . . 89 HIS N . 50388 1 348 . 1 . 1 93 93 CYS H H 1 8.45 0.020 . 1 . . . . . 90 CYS H . 50388 1 349 . 1 . 1 93 93 CYS C C 13 172.90 0.300 . 1 . . . . . 90 CYS C . 50388 1 350 . 1 . 1 93 93 CYS CA C 13 55.67 0.300 . 1 . . . . . 90 CYS CA . 50388 1 351 . 1 . 1 93 93 CYS CB C 13 29.35 0.300 . 1 . . . . . 90 CYS CB . 50388 1 352 . 1 . 1 93 93 CYS N N 15 120.89 0.300 . 1 . . . . . 90 CYS N . 50388 1 353 . 1 . 1 94 94 LEU H H 1 8.55 0.020 . 1 . . . . . 91 LEU H . 50388 1 354 . 1 . 1 94 94 LEU C C 13 173.91 0.300 . 1 . . . . . 91 LEU C . 50388 1 355 . 1 . 1 94 94 LEU CA C 13 52.58 0.300 . 1 . . . . . 91 LEU CA . 50388 1 356 . 1 . 1 94 94 LEU CB C 13 43.41 0.300 . 1 . . . . . 91 LEU CB . 50388 1 357 . 1 . 1 94 94 LEU N N 15 131.34 0.300 . 1 . . . . . 91 LEU N . 50388 1 358 . 1 . 1 95 95 HIS H H 1 8.95 0.020 . 1 . . . . . 92 HIS H . 50388 1 359 . 1 . 1 95 95 HIS C C 13 174.52 0.300 . 1 . . . . . 92 HIS C . 50388 1 360 . 1 . 1 95 95 HIS CA C 13 56.40 0.300 . 1 . . . . . 92 HIS CA . 50388 1 361 . 1 . 1 95 95 HIS CB C 13 32.26 0.300 . 1 . . . . . 92 HIS CB . 50388 1 362 . 1 . 1 95 95 HIS N N 15 129.84 0.300 . 1 . . . . . 92 HIS N . 50388 1 363 . 1 . 1 96 96 VAL H H 1 8.64 0.020 . 1 . . . . . 93 VAL H . 50388 1 364 . 1 . 1 96 96 VAL C C 13 172.88 0.300 . 1 . . . . . 93 VAL C . 50388 1 365 . 1 . 1 96 96 VAL CA C 13 60.47 0.300 . 1 . . . . . 93 VAL CA . 50388 1 366 . 1 . 1 96 96 VAL CB C 13 33.99 0.300 . 1 . . . . . 93 VAL CB . 50388 1 367 . 1 . 1 96 96 VAL N N 15 122.34 0.300 . 1 . . . . . 93 VAL N . 50388 1 368 . 1 . 1 97 97 VAL H H 1 7.87 0.020 . 1 . . . . . 94 VAL H . 50388 1 369 . 1 . 1 97 97 VAL C C 13 177.18 0.300 . 1 . . . . . 94 VAL C . 50388 1 370 . 1 . 1 97 97 VAL CA C 13 60.09 0.300 . 1 . . . . . 94 VAL CA . 50388 1 371 . 1 . 1 97 97 VAL CB C 13 31.47 0.300 . 1 . . . . . 94 VAL CB . 50388 1 372 . 1 . 1 97 97 VAL N N 15 125.27 0.300 . 1 . . . . . 94 VAL N . 50388 1 373 . 1 . 1 98 98 GLY H H 1 9.15 0.020 . 1 . . . . . 95 GLY H . 50388 1 374 . 1 . 1 98 98 GLY CA C 13 42.96 0.300 . 1 . . . . . 95 GLY CA . 50388 1 375 . 1 . 1 98 98 GLY N N 15 115.47 0.300 . 1 . . . . . 95 GLY N . 50388 1 376 . 1 . 1 99 99 PRO C C 13 176.28 0.300 . 1 . . . . . 96 PRO C . 50388 1 377 . 1 . 1 99 99 PRO CA C 13 61.63 0.300 . 1 . . . . . 96 PRO CA . 50388 1 378 . 1 . 1 99 99 PRO CB C 13 31.62 0.300 . 1 . . . . . 96 PRO CB . 50388 1 379 . 1 . 1 100 100 ASN H H 1 9.57 0.020 . 1 . . . . . 97 ASN H . 50388 1 380 . 1 . 1 100 100 ASN C C 13 176.61 0.300 . 1 . . . . . 97 ASN C . 50388 1 381 . 1 . 1 100 100 ASN CA C 13 50.61 0.300 . 1 . . . . . 97 ASN CA . 50388 1 382 . 1 . 1 100 100 ASN CB C 13 35.35 0.300 . 1 . . . . . 97 ASN CB . 50388 1 383 . 1 . 1 100 100 ASN N N 15 120.64 0.300 . 1 . . . . . 97 ASN N . 50388 1 384 . 1 . 1 101 101 VAL H H 1 7.99 0.020 . 1 . . . . . 98 VAL H . 50388 1 385 . 1 . 1 101 101 VAL C C 13 179.84 0.300 . 1 . . . . . 98 VAL C . 50388 1 386 . 1 . 1 101 101 VAL CA C 13 65.00 0.300 . 1 . . . . . 98 VAL CA . 50388 1 387 . 1 . 1 101 101 VAL CB C 13 31.45 0.300 . 1 . . . . . 98 VAL CB . 50388 1 388 . 1 . 1 101 101 VAL N N 15 126.27 0.300 . 1 . . . . . 98 VAL N . 50388 1 389 . 1 . 1 102 102 ASN H H 1 8.08 0.020 . 1 . . . . . 99 ASN H . 50388 1 390 . 1 . 1 102 102 ASN C C 13 176.53 0.300 . 1 . . . . . 99 ASN C . 50388 1 391 . 1 . 1 102 102 ASN CA C 13 55.45 0.300 . 1 . . . . . 99 ASN CA . 50388 1 392 . 1 . 1 102 102 ASN CB C 13 38.25 0.300 . 1 . . . . . 99 ASN CB . 50388 1 393 . 1 . 1 102 102 ASN N N 15 119.75 0.300 . 1 . . . . . 99 ASN N . 50388 1 394 . 1 . 1 103 103 LYS H H 1 6.96 0.020 . 1 . . . . . 100 LYS H . 50388 1 395 . 1 . 1 103 103 LYS C C 13 176.59 0.300 . 1 . . . . . 100 LYS C . 50388 1 396 . 1 . 1 103 103 LYS CA C 13 54.85 0.300 . 1 . . . . . 100 LYS CA . 50388 1 397 . 1 . 1 103 103 LYS CB C 13 32.47 0.300 . 1 . . . . . 100 LYS CB . 50388 1 398 . 1 . 1 103 103 LYS N N 15 117.28 0.300 . 1 . . . . . 100 LYS N . 50388 1 399 . 1 . 1 104 104 GLY H H 1 7.75 0.020 . 1 . . . . . 101 GLY H . 50388 1 400 . 1 . 1 104 104 GLY C C 13 174.93 0.300 . 1 . . . . . 101 GLY C . 50388 1 401 . 1 . 1 104 104 GLY CA C 13 45.68 0.300 . 1 . . . . . 101 GLY CA . 50388 1 402 . 1 . 1 104 104 GLY N N 15 106.79 0.300 . 1 . . . . . 101 GLY N . 50388 1 403 . 1 . 1 105 105 GLU H H 1 7.39 0.020 . 1 . . . . . 102 GLU H . 50388 1 404 . 1 . 1 105 105 GLU C C 13 175.97 0.300 . 1 . . . . . 102 GLU C . 50388 1 405 . 1 . 1 105 105 GLU CA C 13 56.23 0.300 . 1 . . . . . 102 GLU CA . 50388 1 406 . 1 . 1 105 105 GLU CB C 13 29.46 0.300 . 1 . . . . . 102 GLU CB . 50388 1 407 . 1 . 1 105 105 GLU N N 15 119.50 0.300 . 1 . . . . . 102 GLU N . 50388 1 408 . 1 . 1 106 106 ASP H H 1 8.20 0.020 . 1 . . . . . 103 ASP H . 50388 1 409 . 1 . 1 106 106 ASP C C 13 177.58 0.300 . 1 . . . . . 103 ASP C . 50388 1 410 . 1 . 1 106 106 ASP CA C 13 54.55 0.300 . 1 . . . . . 103 ASP CA . 50388 1 411 . 1 . 1 106 106 ASP CB C 13 41.59 0.300 . 1 . . . . . 103 ASP CB . 50388 1 412 . 1 . 1 106 106 ASP N N 15 120.45 0.300 . 1 . . . . . 103 ASP N . 50388 1 413 . 1 . 1 107 107 ILE H H 1 8.61 0.020 . 1 . . . . . 104 ILE H . 50388 1 414 . 1 . 1 107 107 ILE C C 13 178.08 0.300 . 1 . . . . . 104 ILE C . 50388 1 415 . 1 . 1 107 107 ILE CA C 13 62.15 0.300 . 1 . . . . . 104 ILE CA . 50388 1 416 . 1 . 1 107 107 ILE CB C 13 38.65 0.300 . 1 . . . . . 104 ILE CB . 50388 1 417 . 1 . 1 107 107 ILE N N 15 128.27 0.300 . 1 . . . . . 104 ILE N . 50388 1 418 . 1 . 1 108 108 GLN H H 1 9.14 0.020 . 1 . . . . . 105 GLN H . 50388 1 419 . 1 . 1 108 108 GLN C C 13 178.95 0.300 . 1 . . . . . 105 GLN C . 50388 1 420 . 1 . 1 108 108 GLN CA C 13 58.48 0.300 . 1 . . . . . 105 GLN CA . 50388 1 421 . 1 . 1 108 108 GLN CB C 13 28.00 0.300 . 1 . . . . . 105 GLN CB . 50388 1 422 . 1 . 1 108 108 GLN N N 15 124.13 0.300 . 1 . . . . . 105 GLN N . 50388 1 423 . 1 . 1 109 109 LEU H H 1 8.14 0.020 . 1 . . . . . 106 LEU H . 50388 1 424 . 1 . 1 109 109 LEU C C 13 177.93 0.300 . 1 . . . . . 106 LEU C . 50388 1 425 . 1 . 1 109 109 LEU CA C 13 56.44 0.300 . 1 . . . . . 106 LEU CA . 50388 1 426 . 1 . 1 109 109 LEU CB C 13 41.37 0.300 . 1 . . . . . 106 LEU CB . 50388 1 427 . 1 . 1 109 109 LEU N N 15 118.31 0.300 . 1 . . . . . 106 LEU N . 50388 1 428 . 1 . 1 110 110 LEU H H 1 8.31 0.020 . 1 . . . . . 107 LEU H . 50388 1 429 . 1 . 1 110 110 LEU C C 13 177.75 0.300 . 1 . . . . . 107 LEU C . 50388 1 430 . 1 . 1 110 110 LEU CA C 13 57.24 0.300 . 1 . . . . . 107 LEU CA . 50388 1 431 . 1 . 1 110 110 LEU CB C 13 42.61 0.300 . 1 . . . . . 107 LEU CB . 50388 1 432 . 1 . 1 110 110 LEU N N 15 121.71 0.300 . 1 . . . . . 107 LEU N . 50388 1 433 . 1 . 1 111 111 LYS H H 1 7.54 0.020 . 1 . . . . . 108 LYS H . 50388 1 434 . 1 . 1 111 111 LYS C C 13 177.53 0.300 . 1 . . . . . 108 LYS C . 50388 1 435 . 1 . 1 111 111 LYS CA C 13 60.40 0.300 . 1 . . . . . 108 LYS CA . 50388 1 436 . 1 . 1 111 111 LYS CB C 13 31.83 0.300 . 1 . . . . . 108 LYS CB . 50388 1 437 . 1 . 1 111 111 LYS N N 15 119.08 0.300 . 1 . . . . . 108 LYS N . 50388 1 438 . 1 . 1 112 112 SER H H 1 6.91 0.020 . 1 . . . . . 109 SER H . 50388 1 439 . 1 . 1 112 112 SER C C 13 175.85 0.300 . 1 . . . . . 109 SER C . 50388 1 440 . 1 . 1 112 112 SER CA C 13 61.85 0.300 . 1 . . . . . 109 SER CA . 50388 1 441 . 1 . 1 112 112 SER CB C 13 62.38 0.300 . 1 . . . . . 109 SER CB . 50388 1 442 . 1 . 1 112 112 SER N N 15 112.73 0.300 . 1 . . . . . 109 SER N . 50388 1 443 . 1 . 1 113 113 ALA H H 1 8.07 0.020 . 1 . . . . . 110 ALA H . 50388 1 444 . 1 . 1 113 113 ALA C C 13 180.10 0.300 . 1 . . . . . 110 ALA C . 50388 1 445 . 1 . 1 113 113 ALA CA C 13 54.67 0.300 . 1 . . . . . 110 ALA CA . 50388 1 446 . 1 . 1 113 113 ALA CB C 13 18.04 0.300 . 1 . . . . . 110 ALA CB . 50388 1 447 . 1 . 1 113 113 ALA N N 15 121.83 0.300 . 1 . . . . . 110 ALA N . 50388 1 448 . 1 . 1 114 114 TYR H H 1 8.04 0.020 . 1 . . . . . 111 TYR H . 50388 1 449 . 1 . 1 114 114 TYR C C 13 178.28 0.300 . 1 . . . . . 111 TYR C . 50388 1 450 . 1 . 1 114 114 TYR CA C 13 62.09 0.300 . 1 . . . . . 111 TYR CA . 50388 1 451 . 1 . 1 114 114 TYR CB C 13 37.63 0.300 . 1 . . . . . 111 TYR CB . 50388 1 452 . 1 . 1 114 114 TYR N N 15 115.59 0.300 . 1 . . . . . 111 TYR N . 50388 1 453 . 1 . 1 115 115 GLU H H 1 8.28 0.020 . 1 . . . . . 112 GLU H . 50388 1 454 . 1 . 1 115 115 GLU C C 13 179.70 0.300 . 1 . . . . . 112 GLU C . 50388 1 455 . 1 . 1 115 115 GLU CA C 13 59.30 0.300 . 1 . . . . . 112 GLU CA . 50388 1 456 . 1 . 1 115 115 GLU CB C 13 28.76 0.300 . 1 . . . . . 112 GLU CB . 50388 1 457 . 1 . 1 115 115 GLU N N 15 121.33 0.300 . 1 . . . . . 112 GLU N . 50388 1 458 . 1 . 1 116 116 ASN H H 1 7.32 0.020 . 1 . . . . . 113 ASN H . 50388 1 459 . 1 . 1 116 116 ASN C C 13 176.58 0.300 . 1 . . . . . 113 ASN C . 50388 1 460 . 1 . 1 116 116 ASN CA C 13 56.61 0.300 . 1 . . . . . 113 ASN CA . 50388 1 461 . 1 . 1 116 116 ASN CB C 13 39.65 0.300 . 1 . . . . . 113 ASN CB . 50388 1 462 . 1 . 1 116 116 ASN N N 15 113.56 0.300 . 1 . . . . . 113 ASN N . 50388 1 463 . 1 . 1 117 117 PHE H H 1 8.78 0.020 . 1 . . . . . 114 PHE H . 50388 1 464 . 1 . 1 117 117 PHE C C 13 177.27 0.300 . 1 . . . . . 114 PHE C . 50388 1 465 . 1 . 1 117 117 PHE CA C 13 58.25 0.300 . 1 . . . . . 114 PHE CA . 50388 1 466 . 1 . 1 117 117 PHE CB C 13 37.57 0.300 . 1 . . . . . 114 PHE CB . 50388 1 467 . 1 . 1 117 117 PHE N N 15 118.12 0.300 . 1 . . . . . 114 PHE N . 50388 1 468 . 1 . 1 118 118 ASN H H 1 7.54 0.020 . 1 . . . . . 115 ASN H . 50388 1 469 . 1 . 1 118 118 ASN C C 13 175.35 0.300 . 1 . . . . . 115 ASN C . 50388 1 470 . 1 . 1 118 118 ASN CA C 13 54.81 0.300 . 1 . . . . . 115 ASN CA . 50388 1 471 . 1 . 1 118 118 ASN CB C 13 37.69 0.300 . 1 . . . . . 115 ASN CB . 50388 1 472 . 1 . 1 118 118 ASN N N 15 112.26 0.300 . 1 . . . . . 115 ASN N . 50388 1 473 . 1 . 1 119 119 GLN H H 1 6.96 0.020 . 1 . . . . . 116 GLN H . 50388 1 474 . 1 . 1 119 119 GLN C C 13 173.47 0.300 . 1 . . . . . 116 GLN C . 50388 1 475 . 1 . 1 119 119 GLN CA C 13 55.67 0.300 . 1 . . . . . 116 GLN CA . 50388 1 476 . 1 . 1 119 119 GLN CB C 13 28.93 0.300 . 1 . . . . . 116 GLN CB . 50388 1 477 . 1 . 1 119 119 GLN N N 15 117.07 0.300 . 1 . . . . . 116 GLN N . 50388 1 478 . 1 . 1 120 120 HIS H H 1 7.74 0.020 . 1 . . . . . 117 HIS H . 50388 1 479 . 1 . 1 120 120 HIS C C 13 173.33 0.300 . 1 . . . . . 117 HIS C . 50388 1 480 . 1 . 1 120 120 HIS CA C 13 54.70 0.300 . 1 . . . . . 117 HIS CA . 50388 1 481 . 1 . 1 120 120 HIS CB C 13 33.69 0.300 . 1 . . . . . 117 HIS CB . 50388 1 482 . 1 . 1 120 120 HIS N N 15 119.28 0.300 . 1 . . . . . 117 HIS N . 50388 1 483 . 1 . 1 121 121 GLU H H 1 8.70 0.020 . 1 . . . . . 118 GLU H . 50388 1 484 . 1 . 1 121 121 GLU C C 13 176.89 0.300 . 1 . . . . . 118 GLU C . 50388 1 485 . 1 . 1 121 121 GLU CA C 13 60.00 0.300 . 1 . . . . . 118 GLU CA . 50388 1 486 . 1 . 1 121 121 GLU CB C 13 30.58 0.300 . 1 . . . . . 118 GLU CB . 50388 1 487 . 1 . 1 121 121 GLU N N 15 120.51 0.300 . 1 . . . . . 118 GLU N . 50388 1 488 . 1 . 1 122 122 VAL H H 1 7.82 0.020 . 1 . . . . . 119 VAL H . 50388 1 489 . 1 . 1 122 122 VAL C C 13 175.62 0.300 . 1 . . . . . 119 VAL C . 50388 1 490 . 1 . 1 122 122 VAL CA C 13 60.39 0.300 . 1 . . . . . 119 VAL CA . 50388 1 491 . 1 . 1 122 122 VAL CB C 13 34.79 0.300 . 1 . . . . . 119 VAL CB . 50388 1 492 . 1 . 1 122 122 VAL N N 15 115.03 0.300 . 1 . . . . . 119 VAL N . 50388 1 493 . 1 . 1 123 123 LEU H H 1 8.77 0.020 . 1 . . . . . 120 LEU H . 50388 1 494 . 1 . 1 123 123 LEU C C 13 173.49 0.300 . 1 . . . . . 120 LEU C . 50388 1 495 . 1 . 1 123 123 LEU CA C 13 55.09 0.300 . 1 . . . . . 120 LEU CA . 50388 1 496 . 1 . 1 123 123 LEU CB C 13 45.64 0.300 . 1 . . . . . 120 LEU CB . 50388 1 497 . 1 . 1 123 123 LEU N N 15 126.87 0.300 . 1 . . . . . 120 LEU N . 50388 1 498 . 1 . 1 124 124 LEU H H 1 7.79 0.020 . 1 . . . . . 121 LEU H . 50388 1 499 . 1 . 1 124 124 LEU C C 13 174.48 0.300 . 1 . . . . . 121 LEU C . 50388 1 500 . 1 . 1 124 124 LEU CA C 13 53.64 0.300 . 1 . . . . . 121 LEU CA . 50388 1 501 . 1 . 1 124 124 LEU CB C 13 43.96 0.300 . 1 . . . . . 121 LEU CB . 50388 1 502 . 1 . 1 124 124 LEU N N 15 123.70 0.300 . 1 . . . . . 121 LEU N . 50388 1 503 . 1 . 1 125 125 ALA H H 1 9.66 0.020 . 1 . . . . . 122 ALA H . 50388 1 504 . 1 . 1 125 125 ALA CA C 13 49.75 0.300 . 1 . . . . . 122 ALA CA . 50388 1 505 . 1 . 1 125 125 ALA CB C 13 22.80 0.300 . 1 . . . . . 122 ALA CB . 50388 1 506 . 1 . 1 125 125 ALA N N 15 129.41 0.300 . 1 . . . . . 122 ALA N . 50388 1 507 . 1 . 1 126 126 PRO C C 13 173.93 0.300 . 1 . . . . . 123 PRO C . 50388 1 508 . 1 . 1 126 126 PRO CA C 13 60.65 0.300 . 1 . . . . . 123 PRO CA . 50388 1 509 . 1 . 1 126 126 PRO CB C 13 33.79 0.300 . 1 . . . . . 123 PRO CB . 50388 1 510 . 1 . 1 127 127 LEU H H 1 8.08 0.020 . 1 . . . . . 124 LEU H . 50388 1 511 . 1 . 1 127 127 LEU C C 13 175.97 0.300 . 1 . . . . . 124 LEU C . 50388 1 512 . 1 . 1 127 127 LEU CA C 13 53.70 0.300 . 1 . . . . . 124 LEU CA . 50388 1 513 . 1 . 1 127 127 LEU CB C 13 42.91 0.300 . 1 . . . . . 124 LEU CB . 50388 1 514 . 1 . 1 127 127 LEU N N 15 114.03 0.300 . 1 . . . . . 124 LEU N . 50388 1 515 . 1 . 1 128 128 LEU H H 1 7.17 0.020 . 1 . . . . . 125 LEU H . 50388 1 516 . 1 . 1 128 128 LEU C C 13 177.95 0.300 . 1 . . . . . 125 LEU C . 50388 1 517 . 1 . 1 128 128 LEU CA C 13 55.65 0.300 . 1 . . . . . 125 LEU CA . 50388 1 518 . 1 . 1 128 128 LEU CB C 13 42.66 0.300 . 1 . . . . . 125 LEU CB . 50388 1 519 . 1 . 1 128 128 LEU N N 15 121.45 0.300 . 1 . . . . . 125 LEU N . 50388 1 520 . 1 . 1 129 129 SER H H 1 8.67 0.020 . 1 . . . . . 126 SER H . 50388 1 521 . 1 . 1 129 129 SER C C 13 172.53 0.300 . 1 . . . . . 126 SER C . 50388 1 522 . 1 . 1 129 129 SER CA C 13 61.11 0.300 . 1 . . . . . 126 SER CA . 50388 1 523 . 1 . 1 129 129 SER CB C 13 64.18 0.300 . 1 . . . . . 126 SER CB . 50388 1 524 . 1 . 1 129 129 SER N N 15 112.89 0.300 . 1 . . . . . 126 SER N . 50388 1 525 . 1 . 1 130 130 ALA H H 1 6.69 0.020 . 1 . . . . . 127 ALA H . 50388 1 526 . 1 . 1 130 130 ALA C C 13 176.57 0.300 . 1 . . . . . 127 ALA C . 50388 1 527 . 1 . 1 130 130 ALA CA C 13 52.32 0.300 . 1 . . . . . 127 ALA CA . 50388 1 528 . 1 . 1 130 130 ALA CB C 13 20.46 0.300 . 1 . . . . . 127 ALA CB . 50388 1 529 . 1 . 1 130 130 ALA N N 15 118.72 0.300 . 1 . . . . . 127 ALA N . 50388 1 530 . 1 . 1 131 131 GLY H H 1 9.92 0.020 . 1 . . . . . 128 GLY H . 50388 1 531 . 1 . 1 131 131 GLY CA C 13 44.88 0.300 . 1 . . . . . 128 GLY CA . 50388 1 532 . 1 . 1 131 131 GLY N N 15 114.96 0.300 . 1 . . . . . 128 GLY N . 50388 1 533 . 1 . 1 134 134 GLY H H 1 7.66 0.020 . 1 . . . . . 131 GLY H . 50388 1 534 . 1 . 1 134 134 GLY C C 13 174.86 0.300 . 1 . . . . . 131 GLY C . 50388 1 535 . 1 . 1 134 134 GLY CA C 13 47.87 0.300 . 1 . . . . . 131 GLY CA . 50388 1 536 . 1 . 1 134 134 GLY N N 15 104.61 0.300 . 1 . . . . . 131 GLY N . 50388 1 537 . 1 . 1 135 135 ALA H H 1 9.51 0.020 . 1 . . . . . 132 ALA H . 50388 1 538 . 1 . 1 135 135 ALA C C 13 176.57 0.300 . 1 . . . . . 132 ALA C . 50388 1 539 . 1 . 1 135 135 ALA CA C 13 51.30 0.300 . 1 . . . . . 132 ALA CA . 50388 1 540 . 1 . 1 135 135 ALA CB C 13 19.17 0.300 . 1 . . . . . 132 ALA CB . 50388 1 541 . 1 . 1 135 135 ALA N N 15 123.30 0.300 . 1 . . . . . 132 ALA N . 50388 1 542 . 1 . 1 136 136 ASP H H 1 8.63 0.020 . 1 . . . . . 133 ASP H . 50388 1 543 . 1 . 1 136 136 ASP CA C 13 52.07 0.300 . 1 . . . . . 133 ASP CA . 50388 1 544 . 1 . 1 136 136 ASP CB C 13 42.08 0.300 . 1 . . . . . 133 ASP CB . 50388 1 545 . 1 . 1 136 136 ASP N N 15 122.30 0.300 . 1 . . . . . 133 ASP N . 50388 1 546 . 1 . 1 137 137 PRO C C 13 177.71 0.300 . 1 . . . . . 134 PRO C . 50388 1 547 . 1 . 1 137 137 PRO CA C 13 65.57 0.300 . 1 . . . . . 134 PRO CA . 50388 1 548 . 1 . 1 137 137 PRO CB C 13 33.61 0.300 . 1 . . . . . 134 PRO CB . 50388 1 549 . 1 . 1 138 138 ILE H H 1 7.90 0.020 . 1 . . . . . 135 ILE H . 50388 1 550 . 1 . 1 138 138 ILE C C 13 178.03 0.300 . 1 . . . . . 135 ILE C . 50388 1 551 . 1 . 1 138 138 ILE CA C 13 64.33 0.300 . 1 . . . . . 135 ILE CA . 50388 1 552 . 1 . 1 138 138 ILE CB C 13 36.67 0.300 . 1 . . . . . 135 ILE CB . 50388 1 553 . 1 . 1 138 138 ILE N N 15 116.28 0.300 . 1 . . . . . 135 ILE N . 50388 1 554 . 1 . 1 139 139 HIS H H 1 7.62 0.020 . 1 . . . . . 136 HIS H . 50388 1 555 . 1 . 1 139 139 HIS C C 13 176.65 0.300 . 1 . . . . . 136 HIS C . 50388 1 556 . 1 . 1 139 139 HIS CA C 13 59.66 0.300 . 1 . . . . . 136 HIS CA . 50388 1 557 . 1 . 1 139 139 HIS CB C 13 30.53 0.300 . 1 . . . . . 136 HIS CB . 50388 1 558 . 1 . 1 139 139 HIS N N 15 120.11 0.300 . 1 . . . . . 136 HIS N . 50388 1 559 . 1 . 1 140 140 SER H H 1 8.16 0.020 . 1 . . . . . 137 SER H . 50388 1 560 . 1 . 1 140 140 SER C C 13 176.41 0.300 . 1 . . . . . 137 SER C . 50388 1 561 . 1 . 1 140 140 SER CA C 13 61.43 0.300 . 1 . . . . . 137 SER CA . 50388 1 562 . 1 . 1 140 140 SER CB C 13 63.41 0.300 . 1 . . . . . 137 SER CB . 50388 1 563 . 1 . 1 140 140 SER N N 15 109.93 0.300 . 1 . . . . . 137 SER N . 50388 1 564 . 1 . 1 141 141 LEU H H 1 8.26 0.020 . 1 . . . . . 138 LEU H . 50388 1 565 . 1 . 1 141 141 LEU C C 13 177.22 0.300 . 1 . . . . . 138 LEU C . 50388 1 566 . 1 . 1 141 141 LEU CA C 13 57.59 0.300 . 1 . . . . . 138 LEU CA . 50388 1 567 . 1 . 1 141 141 LEU CB C 13 41.00 0.300 . 1 . . . . . 138 LEU CB . 50388 1 568 . 1 . 1 141 141 LEU N N 15 118.18 0.300 . 1 . . . . . 138 LEU N . 50388 1 569 . 1 . 1 142 142 ARG H H 1 8.21 0.020 . 1 . . . . . 139 ARG H . 50388 1 570 . 1 . 1 142 142 ARG C C 13 178.07 0.300 . 1 . . . . . 139 ARG C . 50388 1 571 . 1 . 1 142 142 ARG CA C 13 59.38 0.300 . 1 . . . . . 139 ARG CA . 50388 1 572 . 1 . 1 142 142 ARG CB C 13 29.20 0.300 . 1 . . . . . 139 ARG CB . 50388 1 573 . 1 . 1 142 142 ARG N N 15 119.85 0.300 . 1 . . . . . 139 ARG N . 50388 1 574 . 1 . 1 143 143 VAL H H 1 8.37 0.020 . 1 . . . . . 140 VAL H . 50388 1 575 . 1 . 1 143 143 VAL C C 13 178.63 0.300 . 1 . . . . . 140 VAL C . 50388 1 576 . 1 . 1 143 143 VAL CA C 13 66.26 0.300 . 1 . . . . . 140 VAL CA . 50388 1 577 . 1 . 1 143 143 VAL CB C 13 30.79 0.300 . 1 . . . . . 140 VAL CB . 50388 1 578 . 1 . 1 143 143 VAL N N 15 118.21 0.300 . 1 . . . . . 140 VAL N . 50388 1 579 . 1 . 1 144 144 CYS H H 1 7.83 0.020 . 1 . . . . . 141 CYS H . 50388 1 580 . 1 . 1 144 144 CYS C C 13 175.92 0.300 . 1 . . . . . 141 CYS C . 50388 1 581 . 1 . 1 144 144 CYS CA C 13 62.82 0.300 . 1 . . . . . 141 CYS CA . 50388 1 582 . 1 . 1 144 144 CYS CB C 13 25.55 0.300 . 1 . . . . . 141 CYS CB . 50388 1 583 . 1 . 1 144 144 CYS N N 15 123.48 0.300 . 1 . . . . . 141 CYS N . 50388 1 584 . 1 . 1 145 145 VAL H H 1 8.31 0.020 . 1 . . . . . 142 VAL H . 50388 1 585 . 1 . 1 145 145 VAL C C 13 177.76 0.300 . 1 . . . . . 142 VAL C . 50388 1 586 . 1 . 1 145 145 VAL CA C 13 65.59 0.300 . 1 . . . . . 142 VAL CA . 50388 1 587 . 1 . 1 145 145 VAL CB C 13 31.47 0.300 . 1 . . . . . 142 VAL CB . 50388 1 588 . 1 . 1 145 145 VAL N N 15 115.42 0.300 . 1 . . . . . 142 VAL N . 50388 1 589 . 1 . 1 146 146 ASP H H 1 7.95 0.020 . 1 . . . . . 143 ASP H . 50388 1 590 . 1 . 1 146 146 ASP C C 13 176.91 0.300 . 1 . . . . . 143 ASP C . 50388 1 591 . 1 . 1 146 146 ASP CA C 13 55.69 0.300 . 1 . . . . . 143 ASP CA . 50388 1 592 . 1 . 1 146 146 ASP CB C 13 41.51 0.300 . 1 . . . . . 143 ASP CB . 50388 1 593 . 1 . 1 146 146 ASP N N 15 117.00 0.300 . 1 . . . . . 143 ASP N . 50388 1 594 . 1 . 1 147 147 THR H H 1 7.73 0.020 . 1 . . . . . 144 THR H . 50388 1 595 . 1 . 1 147 147 THR C C 13 174.53 0.300 . 1 . . . . . 144 THR C . 50388 1 596 . 1 . 1 147 147 THR CA C 13 64.84 0.300 . 1 . . . . . 144 THR CA . 50388 1 597 . 1 . 1 147 147 THR CB C 13 70.64 0.300 . 1 . . . . . 144 THR CB . 50388 1 598 . 1 . 1 147 147 THR N N 15 114.51 0.300 . 1 . . . . . 144 THR N . 50388 1 599 . 1 . 1 148 148 VAL H H 1 8.56 0.020 . 1 . . . . . 145 VAL H . 50388 1 600 . 1 . 1 148 148 VAL C C 13 176.63 0.300 . 1 . . . . . 145 VAL C . 50388 1 601 . 1 . 1 148 148 VAL CA C 13 63.86 0.300 . 1 . . . . . 145 VAL CA . 50388 1 602 . 1 . 1 148 148 VAL CB C 13 31.07 0.300 . 1 . . . . . 145 VAL CB . 50388 1 603 . 1 . 1 148 148 VAL N N 15 122.62 0.300 . 1 . . . . . 145 VAL N . 50388 1 604 . 1 . 1 149 149 ARG H H 1 10.24 0.020 . 1 . . . . . 146 ARG H . 50388 1 605 . 1 . 1 149 149 ARG C C 13 177.03 0.300 . 1 . . . . . 146 ARG C . 50388 1 606 . 1 . 1 149 149 ARG CA C 13 55.22 0.300 . 1 . . . . . 146 ARG CA . 50388 1 607 . 1 . 1 149 149 ARG CB C 13 31.83 0.300 . 1 . . . . . 146 ARG CB . 50388 1 608 . 1 . 1 149 149 ARG N N 15 126.84 0.300 . 1 . . . . . 146 ARG N . 50388 1 609 . 1 . 1 150 150 THR H H 1 7.35 0.020 . 1 . . . . . 147 THR H . 50388 1 610 . 1 . 1 150 150 THR C C 13 172.93 0.300 . 1 . . . . . 147 THR C . 50388 1 611 . 1 . 1 150 150 THR CA C 13 60.29 0.300 . 1 . . . . . 147 THR CA . 50388 1 612 . 1 . 1 150 150 THR CB C 13 68.10 0.300 . 1 . . . . . 147 THR CB . 50388 1 613 . 1 . 1 150 150 THR N N 15 113.08 0.300 . 1 . . . . . 147 THR N . 50388 1 614 . 1 . 1 151 151 ASN H H 1 7.80 0.020 . 1 . . . . . 148 ASN H . 50388 1 615 . 1 . 1 151 151 ASN C C 13 172.55 0.300 . 1 . . . . . 148 ASN C . 50388 1 616 . 1 . 1 151 151 ASN CA C 13 54.05 0.300 . 1 . . . . . 148 ASN CA . 50388 1 617 . 1 . 1 151 151 ASN CB C 13 39.89 0.300 . 1 . . . . . 148 ASN CB . 50388 1 618 . 1 . 1 151 151 ASN N N 15 115.73 0.300 . 1 . . . . . 148 ASN N . 50388 1 619 . 1 . 1 152 152 VAL H H 1 8.85 0.020 . 1 . . . . . 149 VAL H . 50388 1 620 . 1 . 1 152 152 VAL C C 13 170.96 0.300 . 1 . . . . . 149 VAL C . 50388 1 621 . 1 . 1 152 152 VAL CA C 13 59.65 0.300 . 1 . . . . . 149 VAL CA . 50388 1 622 . 1 . 1 152 152 VAL CB C 13 34.59 0.300 . 1 . . . . . 149 VAL CB . 50388 1 623 . 1 . 1 152 152 VAL N N 15 123.75 0.300 . 1 . . . . . 149 VAL N . 50388 1 624 . 1 . 1 153 153 TYR H H 1 8.70 0.020 . 1 . . . . . 150 TYR H . 50388 1 625 . 1 . 1 153 153 TYR C C 13 174.00 0.300 . 1 . . . . . 150 TYR C . 50388 1 626 . 1 . 1 153 153 TYR CA C 13 56.53 0.300 . 1 . . . . . 150 TYR CA . 50388 1 627 . 1 . 1 153 153 TYR CB C 13 37.45 0.300 . 1 . . . . . 150 TYR CB . 50388 1 628 . 1 . 1 153 153 TYR N N 15 129.22 0.300 . 1 . . . . . 150 TYR N . 50388 1 629 . 1 . 1 154 154 LEU H H 1 9.12 0.020 . 1 . . . . . 151 LEU H . 50388 1 630 . 1 . 1 154 154 LEU C C 13 175.92 0.300 . 1 . . . . . 151 LEU C . 50388 1 631 . 1 . 1 154 154 LEU CA C 13 53.24 0.300 . 1 . . . . . 151 LEU CA . 50388 1 632 . 1 . 1 154 154 LEU CB C 13 44.84 0.300 . 1 . . . . . 151 LEU CB . 50388 1 633 . 1 . 1 154 154 LEU N N 15 123.55 0.300 . 1 . . . . . 151 LEU N . 50388 1 634 . 1 . 1 155 155 ALA H H 1 8.36 0.020 . 1 . . . . . 152 ALA H . 50388 1 635 . 1 . 1 155 155 ALA C C 13 175.94 0.300 . 1 . . . . . 152 ALA C . 50388 1 636 . 1 . 1 155 155 ALA CA C 13 50.11 0.300 . 1 . . . . . 152 ALA CA . 50388 1 637 . 1 . 1 155 155 ALA CB C 13 18.98 0.300 . 1 . . . . . 152 ALA CB . 50388 1 638 . 1 . 1 155 155 ALA N N 15 125.31 0.300 . 1 . . . . . 152 ALA N . 50388 1 639 . 1 . 1 156 156 VAL H H 1 8.80 0.020 . 1 . . . . . 153 VAL H . 50388 1 640 . 1 . 1 156 156 VAL C C 13 175.44 0.300 . 1 . . . . . 153 VAL C . 50388 1 641 . 1 . 1 156 156 VAL CA C 13 61.18 0.300 . 1 . . . . . 153 VAL CA . 50388 1 642 . 1 . 1 156 156 VAL CB C 13 35.25 0.300 . 1 . . . . . 153 VAL CB . 50388 1 643 . 1 . 1 156 156 VAL N N 15 122.06 0.300 . 1 . . . . . 153 VAL N . 50388 1 644 . 1 . 1 157 157 PHE H H 1 6.94 0.020 . 1 . . . . . 154 PHE H . 50388 1 645 . 1 . 1 157 157 PHE C C 13 175.33 0.300 . 1 . . . . . 154 PHE C . 50388 1 646 . 1 . 1 157 157 PHE CA C 13 59.58 0.300 . 1 . . . . . 154 PHE CA . 50388 1 647 . 1 . 1 157 157 PHE CB C 13 38.20 0.300 . 1 . . . . . 154 PHE CB . 50388 1 648 . 1 . 1 157 157 PHE N N 15 131.34 0.300 . 1 . . . . . 154 PHE N . 50388 1 649 . 1 . 1 158 158 ASP H H 1 8.62 0.020 . 1 . . . . . 155 ASP H . 50388 1 650 . 1 . 1 158 158 ASP C C 13 176.00 0.300 . 1 . . . . . 155 ASP C . 50388 1 651 . 1 . 1 158 158 ASP CA C 13 54.20 0.300 . 1 . . . . . 155 ASP CA . 50388 1 652 . 1 . 1 158 158 ASP CB C 13 41.99 0.300 . 1 . . . . . 155 ASP CB . 50388 1 653 . 1 . 1 158 158 ASP N N 15 121.15 0.300 . 1 . . . . . 155 ASP N . 50388 1 654 . 1 . 1 159 159 LYS H H 1 8.72 0.020 . 1 . . . . . 156 LYS H . 50388 1 655 . 1 . 1 159 159 LYS C C 13 176.94 0.300 . 1 . . . . . 156 LYS C . 50388 1 656 . 1 . 1 159 159 LYS CA C 13 59.61 0.300 . 1 . . . . . 156 LYS CA . 50388 1 657 . 1 . 1 159 159 LYS CB C 13 32.75 0.300 . 1 . . . . . 156 LYS CB . 50388 1 658 . 1 . 1 159 159 LYS N N 15 129.81 0.300 . 1 . . . . . 156 LYS N . 50388 1 659 . 1 . 1 160 160 ASN H H 1 8.11 0.020 . 1 . . . . . 157 ASN H . 50388 1 660 . 1 . 1 160 160 ASN C C 13 178.37 0.300 . 1 . . . . . 157 ASN C . 50388 1 661 . 1 . 1 160 160 ASN CA C 13 56.17 0.300 . 1 . . . . . 157 ASN CA . 50388 1 662 . 1 . 1 160 160 ASN CB C 13 37.58 0.300 . 1 . . . . . 157 ASN CB . 50388 1 663 . 1 . 1 160 160 ASN N N 15 116.07 0.300 . 1 . . . . . 157 ASN N . 50388 1 664 . 1 . 1 161 161 LEU H H 1 8.10 0.020 . 1 . . . . . 158 LEU H . 50388 1 665 . 1 . 1 161 161 LEU C C 13 177.62 0.300 . 1 . . . . . 158 LEU C . 50388 1 666 . 1 . 1 161 161 LEU CA C 13 57.43 0.300 . 1 . . . . . 158 LEU CA . 50388 1 667 . 1 . 1 161 161 LEU CB C 13 41.03 0.300 . 1 . . . . . 158 LEU CB . 50388 1 668 . 1 . 1 161 161 LEU N N 15 122.53 0.300 . 1 . . . . . 158 LEU N . 50388 1 669 . 1 . 1 162 162 TYR H H 1 8.65 0.020 . 1 . . . . . 159 TYR H . 50388 1 670 . 1 . 1 162 162 TYR C C 13 175.71 0.300 . 1 . . . . . 159 TYR C . 50388 1 671 . 1 . 1 162 162 TYR CA C 13 62.97 0.300 . 1 . . . . . 159 TYR CA . 50388 1 672 . 1 . 1 162 162 TYR CB C 13 38.09 0.300 . 1 . . . . . 159 TYR CB . 50388 1 673 . 1 . 1 162 162 TYR N N 15 120.15 0.300 . 1 . . . . . 159 TYR N . 50388 1 674 . 1 . 1 163 163 ASP H H 1 8.61 0.020 . 1 . . . . . 160 ASP H . 50388 1 675 . 1 . 1 163 163 ASP C C 13 179.48 0.300 . 1 . . . . . 160 ASP C . 50388 1 676 . 1 . 1 163 163 ASP CA C 13 57.13 0.300 . 1 . . . . . 160 ASP CA . 50388 1 677 . 1 . 1 163 163 ASP CB C 13 39.72 0.300 . 1 . . . . . 160 ASP CB . 50388 1 678 . 1 . 1 163 163 ASP N N 15 117.67 0.300 . 1 . . . . . 160 ASP N . 50388 1 679 . 1 . 1 164 164 LYS H H 1 7.76 0.020 . 1 . . . . . 161 LYS H . 50388 1 680 . 1 . 1 164 164 LYS C C 13 179.24 0.300 . 1 . . . . . 161 LYS C . 50388 1 681 . 1 . 1 164 164 LYS CA C 13 58.83 0.300 . 1 . . . . . 161 LYS CA . 50388 1 682 . 1 . 1 164 164 LYS CB C 13 32.48 0.300 . 1 . . . . . 161 LYS CB . 50388 1 683 . 1 . 1 164 164 LYS N N 15 121.73 0.300 . 1 . . . . . 161 LYS N . 50388 1 684 . 1 . 1 165 165 LEU H H 1 8.82 0.020 . 1 . . . . . 162 LEU H . 50388 1 685 . 1 . 1 165 165 LEU C C 13 178.88 0.300 . 1 . . . . . 162 LEU C . 50388 1 686 . 1 . 1 165 165 LEU CA C 13 58.01 0.300 . 1 . . . . . 162 LEU CA . 50388 1 687 . 1 . 1 165 165 LEU CB C 13 41.50 0.300 . 1 . . . . . 162 LEU CB . 50388 1 688 . 1 . 1 165 165 LEU N N 15 121.73 0.300 . 1 . . . . . 162 LEU N . 50388 1 689 . 1 . 1 166 166 VAL H H 1 8.21 0.020 . 1 . . . . . 163 VAL H . 50388 1 690 . 1 . 1 166 166 VAL C C 13 178.24 0.300 . 1 . . . . . 163 VAL C . 50388 1 691 . 1 . 1 166 166 VAL CA C 13 67.15 0.300 . 1 . . . . . 163 VAL CA . 50388 1 692 . 1 . 1 166 166 VAL CB C 13 31.55 0.300 . 1 . . . . . 163 VAL CB . 50388 1 693 . 1 . 1 166 166 VAL N N 15 116.98 0.300 . 1 . . . . . 163 VAL N . 50388 1 694 . 1 . 1 167 167 SER H H 1 7.88 0.020 . 1 . . . . . 164 SER H . 50388 1 695 . 1 . 1 167 167 SER C C 13 176.86 0.300 . 1 . . . . . 164 SER C . 50388 1 696 . 1 . 1 167 167 SER CA C 13 61.56 0.300 . 1 . . . . . 164 SER CA . 50388 1 697 . 1 . 1 167 167 SER CB C 13 62.72 0.300 . 1 . . . . . 164 SER CB . 50388 1 698 . 1 . 1 167 167 SER N N 15 113.08 0.300 . 1 . . . . . 164 SER N . 50388 1 699 . 1 . 1 168 168 SER H H 1 7.92 0.020 . 1 . . . . . 165 SER H . 50388 1 700 . 1 . 1 168 168 SER C C 13 175.69 0.300 . 1 . . . . . 165 SER C . 50388 1 701 . 1 . 1 168 168 SER CA C 13 61.11 0.300 . 1 . . . . . 165 SER CA . 50388 1 702 . 1 . 1 168 168 SER CB C 13 63.26 0.300 . 1 . . . . . 165 SER CB . 50388 1 703 . 1 . 1 168 168 SER N N 15 115.17 0.300 . 1 . . . . . 165 SER N . 50388 1 704 . 1 . 1 169 169 PHE H H 1 8.11 0.020 . 1 . . . . . 166 PHE H . 50388 1 705 . 1 . 1 169 169 PHE C C 13 176.86 0.300 . 1 . . . . . 166 PHE C . 50388 1 706 . 1 . 1 169 169 PHE CA C 13 61.09 0.300 . 1 . . . . . 166 PHE CA . 50388 1 707 . 1 . 1 169 169 PHE CB C 13 40.17 0.300 . 1 . . . . . 166 PHE CB . 50388 1 708 . 1 . 1 169 169 PHE N N 15 121.47 0.300 . 1 . . . . . 166 PHE N . 50388 1 709 . 1 . 1 170 170 LEU H H 1 8.06 0.020 . 1 . . . . . 167 LEU H . 50388 1 710 . 1 . 1 170 170 LEU C C 13 177.59 0.300 . 1 . . . . . 167 LEU C . 50388 1 711 . 1 . 1 170 170 LEU CA C 13 55.75 0.300 . 1 . . . . . 167 LEU CA . 50388 1 712 . 1 . 1 170 170 LEU CB C 13 42.11 0.300 . 1 . . . . . 167 LEU CB . 50388 1 713 . 1 . 1 170 170 LEU N N 15 117.86 0.300 . 1 . . . . . 167 LEU N . 50388 1 714 . 1 . 1 171 171 GLU H H 1 7.72 0.020 . 1 . . . . . 168 GLU H . 50388 1 715 . 1 . 1 171 171 GLU C C 13 176.29 0.300 . 1 . . . . . 168 GLU C . 50388 1 716 . 1 . 1 171 171 GLU CA C 13 56.71 0.300 . 1 . . . . . 168 GLU CA . 50388 1 717 . 1 . 1 171 171 GLU CB C 13 29.82 0.300 . 1 . . . . . 168 GLU CB . 50388 1 718 . 1 . 1 171 171 GLU N N 15 118.58 0.300 . 1 . . . . . 168 GLU N . 50388 1 719 . 1 . 1 172 172 MET H H 1 7.91 0.020 . 1 . . . . . 169 MET H . 50388 1 720 . 1 . 1 172 172 MET C C 13 175.09 0.300 . 1 . . . . . 169 MET C . 50388 1 721 . 1 . 1 172 172 MET CA C 13 55.66 0.300 . 1 . . . . . 169 MET CA . 50388 1 722 . 1 . 1 172 172 MET CB C 13 32.59 0.300 . 1 . . . . . 169 MET CB . 50388 1 723 . 1 . 1 172 172 MET N N 15 120.44 0.300 . 1 . . . . . 169 MET N . 50388 1 724 . 1 . 1 173 173 LYS H H 1 7.79 0.020 . 1 . . . . . 170 LYS H . 50388 1 725 . 1 . 1 173 173 LYS CA C 13 57.60 0.300 . 1 . . . . . 170 LYS CA . 50388 1 726 . 1 . 1 173 173 LYS CB C 13 33.46 0.300 . 1 . . . . . 170 LYS CB . 50388 1 727 . 1 . 1 173 173 LYS N N 15 127.53 0.300 . 1 . . . . . 170 LYS N . 50388 1 stop_ save_