################################### # 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 36055 _Assigned_chem_shift_list.ID 1 _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-1H TOCSY' 1 $sample_1 isotropic 36055 1 2 '2D DQF-COSY' 1 $sample_1 isotropic 36055 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36055 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36055 1 5 '2D 1H-13C HSQC-TOCSY' 1 $sample_1 isotropic 36055 1 6 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36055 1 7 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 36055 1 8 '2D DQF-COSY' 2 $sample_2 isotropic 36055 1 9 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36055 1 10 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36055 1 11 '2D 1H-13C HSQC-TOCSY' 2 $sample_2 isotropic 36055 1 12 '2D 1H-13C H2BC' 2 $sample_2 isotropic 36055 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 3.9530 0.02 . 1 . . . A 1 THR HA . 36055 1 2 . 1 1 1 1 THR HB H 1 4.2630 0.02 . 1 . . . A 1 THR HB . 36055 1 3 . 1 1 1 1 THR HG21 H 1 1.2110 0.02 . 1 . . . A 1 THR HG21 . 36055 1 4 . 1 1 1 1 THR HG22 H 1 1.2110 0.02 . 1 . . . A 1 THR HG22 . 36055 1 5 . 1 1 1 1 THR HG23 H 1 1.2110 0.02 . 1 . . . A 1 THR HG23 . 36055 1 6 . 1 1 1 1 THR CA C 13 60.8900 0.3 . 1 . . . A 1 THR CA . 36055 1 7 . 1 1 1 1 THR CB C 13 69.6000 0.3 . 1 . . . A 1 THR CB . 36055 1 8 . 1 1 1 1 THR CG2 C 13 21.4300 0.3 . 1 . . . A 1 THR CG2 . 36055 1 9 . 1 1 2 2 ALA H H 1 9.0090 0.02 . 1 . . . A 2 ALA H . 36055 1 10 . 1 1 2 2 ALA HA H 1 4.6110 0.02 . 1 . . . A 2 ALA HA . 36055 1 11 . 1 1 2 2 ALA HB1 H 1 1.2640 0.02 . 1 . . . A 2 ALA HB1 . 36055 1 12 . 1 1 2 2 ALA HB2 H 1 1.2640 0.02 . 1 . . . A 2 ALA HB2 . 36055 1 13 . 1 1 2 2 ALA HB3 H 1 1.2640 0.02 . 1 . . . A 2 ALA HB3 . 36055 1 14 . 1 1 2 2 ALA CA C 13 51.7900 0.3 . 1 . . . A 2 ALA CA . 36055 1 15 . 1 1 2 2 ALA CB C 13 19.8500 0.3 . 1 . . . A 2 ALA CB . 36055 1 16 . 1 1 2 2 ALA N N 15 126.2050 0.2 . 1 . . . A 2 ALA N . 36055 1 17 . 1 1 3 3 SER H H 1 8.5440 0.02 . 1 . . . A 3 SER H . 36055 1 18 . 1 1 3 3 SER HA H 1 4.5470 0.02 . 1 . . . A 3 SER HA . 36055 1 19 . 1 1 3 3 SER HB2 H 1 4.0530 0.02 . 1 . . . A 3 SER HB2 . 36055 1 20 . 1 1 3 3 SER HB3 H 1 3.7730 0.02 . 1 . . . A 3 SER HB3 . 36055 1 21 . 1 1 3 3 SER CA C 13 56.0620 0.3 . 1 . . . A 3 SER CA . 36055 1 22 . 1 1 3 3 SER CB C 13 71.2000 0.3 . 1 . . . A 3 SER CB . 36055 1 23 . 1 1 3 3 SER N N 15 116.4200 0.2 . 1 . . . A 3 SER N . 36055 1 24 . 1 1 4 4 HIS H H 1 8.9360 0.02 . 1 . . . A 4 HIS H . 36055 1 25 . 1 1 4 4 HIS HA H 1 4.1060 0.02 . 1 . . . A 4 HIS HA . 36055 1 26 . 1 1 4 4 HIS HB2 H 1 2.8880 0.02 . 1 . . . A 4 HIS HB2 . 36055 1 27 . 1 1 4 4 HIS HB3 H 1 3.1120 0.02 . 1 . . . A 4 HIS HB3 . 36055 1 28 . 1 1 4 4 HIS HD2 H 1 6.7320 0.02 . 1 . . . A 4 HIS HD2 . 36055 1 29 . 1 1 4 4 HIS HE1 H 1 8.5000 0.02 . 1 . . . A 4 HIS HE1 . 36055 1 30 . 1 1 4 4 HIS CA C 13 55.8800 0.3 . 1 . . . A 4 HIS CA . 36055 1 31 . 1 1 4 4 HIS CB C 13 28.7400 0.3 . 1 . . . A 4 HIS CB . 36055 1 32 . 1 1 4 4 HIS CD2 C 13 117.4500 0.3 . 1 . . . A 4 HIS CD2 . 36055 1 33 . 1 1 4 4 HIS CE1 C 13 136.1790 0.3 . 1 . . . A 4 HIS CE1 . 36055 1 34 . 1 1 4 4 HIS N N 15 120.5700 0.2 . 1 . . . A 4 HIS N . 36055 1 35 . 1 1 5 5 TYR H H 1 9.3310 0.02 . 1 . . . A 5 TYR H . 36055 1 36 . 1 1 5 5 TYR HA H 1 4.0930 0.02 . 1 . . . A 5 TYR HA . 36055 1 37 . 1 1 5 5 TYR HB2 H 1 3.3000 0.02 . 1 . . . A 5 TYR HB2 . 36055 1 38 . 1 1 5 5 TYR HB3 H 1 3.0910 0.02 . 1 . . . A 5 TYR HB3 . 36055 1 39 . 1 1 5 5 TYR HD1 H 1 6.7700 0.02 . 3 . . . A 5 TYR HD1 . 36055 1 40 . 1 1 5 5 TYR HD2 H 1 6.7700 0.02 . 3 . . . A 5 TYR HD2 . 36055 1 41 . 1 1 5 5 TYR HE1 H 1 6.4420 0.02 . 3 . . . A 5 TYR HE1 . 36055 1 42 . 1 1 5 5 TYR HE2 H 1 6.4420 0.02 . 3 . . . A 5 TYR HE2 . 36055 1 43 . 1 1 5 5 TYR CA C 13 61.6680 0.3 . 1 . . . A 5 TYR CA . 36055 1 44 . 1 1 5 5 TYR CB C 13 36.1200 0.3 . 1 . . . A 5 TYR CB . 36055 1 45 . 1 1 5 5 TYR CD1 C 13 132.5800 0.3 . 3 . . . A 5 TYR CD1 . 36055 1 46 . 1 1 5 5 TYR CD2 C 13 132.5800 0.3 . 3 . . . A 5 TYR CD2 . 36055 1 47 . 1 1 5 5 TYR CE1 C 13 117.5400 0.3 . 3 . . . A 5 TYR CE1 . 36055 1 48 . 1 1 5 5 TYR CE2 C 13 117.5400 0.3 . 3 . . . A 5 TYR CE2 . 36055 1 49 . 1 1 5 5 TYR N N 15 121.2200 0.2 . 1 . . . A 5 TYR N . 36055 1 50 . 1 1 6 6 GLY H H 1 8.9580 0.02 . 1 . . . A 6 GLY H . 36055 1 51 . 1 1 6 6 GLY HA2 H 1 4.3030 0.02 . 1 . . . A 6 GLY HA2 . 36055 1 52 . 1 1 6 6 GLY HA3 H 1 3.7410 0.02 . 1 . . . A 6 GLY HA3 . 36055 1 53 . 1 1 6 6 GLY CA C 13 44.1320 0.3 . 1 . . . A 6 GLY CA . 36055 1 54 . 1 1 6 6 GLY N N 15 111.5100 0.2 . 1 . . . A 6 GLY N . 36055 1 55 . 1 1 7 7 GLN H H 1 8.4160 0.02 . 1 . . . A 7 GLN H . 36055 1 56 . 1 1 7 7 GLN HA H 1 4.3150 0.02 . 1 . . . A 7 GLN HA . 36055 1 57 . 1 1 7 7 GLN HB2 H 1 2.0730 0.02 . 1 . . . A 7 GLN HB2 . 36055 1 58 . 1 1 7 7 GLN HB3 H 1 1.6980 0.02 . 1 . . . A 7 GLN HB3 . 36055 1 59 . 1 1 7 7 GLN HG2 H 1 1.0770 0.02 . 2 . . . A 7 GLN HG2 . 36055 1 60 . 1 1 7 7 GLN HG3 H 1 2.2580 0.02 . 2 . . . A 7 GLN HG3 . 36055 1 61 . 1 1 7 7 GLN HE21 H 1 7.1780 0.02 . 1 . . . A 7 GLN HE21 . 36055 1 62 . 1 1 7 7 GLN HE22 H 1 6.9700 0.02 . 1 . . . A 7 GLN HE22 . 36055 1 63 . 1 1 7 7 GLN CA C 13 56.0900 0.3 . 1 . . . A 7 GLN CA . 36055 1 64 . 1 1 7 7 GLN CB C 13 27.5300 0.3 . 1 . . . A 7 GLN CB . 36055 1 65 . 1 1 7 7 GLN CG C 13 33.6400 0.3 . 1 . . . A 7 GLN CG . 36055 1 66 . 1 1 7 7 GLN N N 15 122.0600 0.2 . 1 . . . A 7 GLN N . 36055 1 67 . 1 1 7 7 GLN NE2 N 15 109.2900 0.2 . 1 . . . A 7 GLN NE2 . 36055 1 68 . 1 1 8 8 CYS H H 1 7.7400 0.02 . 1 . . . A 8 CYS H . 36055 1 69 . 1 1 8 8 CYS HA H 1 5.1000 0.02 . 1 . . . A 8 CYS HA . 36055 1 70 . 1 1 8 8 CYS HB2 H 1 3.3110 0.02 . 1 . . . A 8 CYS HB2 . 36055 1 71 . 1 1 8 8 CYS HB3 H 1 2.8150 0.02 . 1 . . . A 8 CYS HB3 . 36055 1 72 . 1 1 8 8 CYS CA C 13 55.3730 0.3 . 1 . . . A 8 CYS CA . 36055 1 73 . 1 1 8 8 CYS CB C 13 46.8800 0.3 . 1 . . . A 8 CYS CB . 36055 1 74 . 1 1 8 8 CYS N N 15 114.1800 0.2 . 1 . . . A 8 CYS N . 36055 1 75 . 1 1 9 9 GLY H H 1 6.6140 0.02 . 1 . . . A 9 GLY H . 36055 1 76 . 1 1 9 9 GLY HA2 H 1 4.1970 0.02 . 2 . . . A 9 GLY HA2 . 36055 1 77 . 1 1 9 9 GLY HA3 H 1 3.7630 0.02 . 2 . . . A 9 GLY HA3 . 36055 1 78 . 1 1 9 9 GLY CA C 13 45.4000 0.3 . 1 . . . A 9 GLY CA . 36055 1 79 . 1 1 9 9 GLY N N 15 108.1740 0.2 . 1 . . . A 9 GLY N . 36055 1 80 . 1 1 10 10 GLY H H 1 8.6020 0.02 . 1 . . . A 10 GLY H . 36055 1 81 . 1 1 10 10 GLY HA2 H 1 4.3040 0.02 . 2 . . . A 10 GLY HA2 . 36055 1 82 . 1 1 10 10 GLY HA3 H 1 3.8230 0.02 . 2 . . . A 10 GLY HA3 . 36055 1 83 . 1 1 10 10 GLY CA C 13 43.4700 0.3 . 1 . . . A 10 GLY CA . 36055 1 84 . 1 1 10 10 GLY N N 15 111.8700 0.2 . 1 . . . A 10 GLY N . 36055 1 85 . 1 1 11 11 ILE H H 1 8.3700 0.02 . 1 . . . A 11 ILE H . 36055 1 86 . 1 1 11 11 ILE HA H 1 3.8000 0.02 . 1 . . . A 11 ILE HA . 36055 1 87 . 1 1 11 11 ILE HB H 1 1.2600 0.02 . 1 . . . A 11 ILE HB . 36055 1 88 . 1 1 11 11 ILE HG12 H 1 0.9630 0.02 . 1 . . . A 11 ILE HG12 . 36055 1 89 . 1 1 11 11 ILE HG13 H 1 1.5020 0.02 . 1 . . . A 11 ILE HG13 . 36055 1 90 . 1 1 11 11 ILE HG21 H 1 0.8950 0.02 . 1 . . . A 11 ILE HG21 . 36055 1 91 . 1 1 11 11 ILE HG22 H 1 0.8950 0.02 . 1 . . . A 11 ILE HG22 . 36055 1 92 . 1 1 11 11 ILE HG23 H 1 0.8950 0.02 . 1 . . . A 11 ILE HG23 . 36055 1 93 . 1 1 11 11 ILE HD11 H 1 0.4690 0.02 . 1 . . . A 11 ILE HD11 . 36055 1 94 . 1 1 11 11 ILE HD12 H 1 0.4690 0.02 . 1 . . . A 11 ILE HD12 . 36055 1 95 . 1 1 11 11 ILE HD13 H 1 0.4690 0.02 . 1 . . . A 11 ILE HD13 . 36055 1 96 . 1 1 11 11 ILE CA C 13 64.2200 0.3 . 1 . . . A 11 ILE CA . 36055 1 97 . 1 1 11 11 ILE CB C 13 38.3100 0.3 . 1 . . . A 11 ILE CB . 36055 1 98 . 1 1 11 11 ILE CG1 C 13 28.6600 0.3 . 1 . . . A 11 ILE CG1 . 36055 1 99 . 1 1 11 11 ILE CG2 C 13 17.0300 0.3 . 1 . . . A 11 ILE CG2 . 36055 1 100 . 1 1 11 11 ILE CD1 C 13 13.3900 0.3 . 1 . . . A 11 ILE CD1 . 36055 1 101 . 1 1 11 11 ILE N N 15 124.7000 0.2 . 1 . . . A 11 ILE N . 36055 1 102 . 1 1 12 12 GLY H H 1 9.0780 0.02 . 1 . . . A 12 GLY H . 36055 1 103 . 1 1 12 12 GLY HA2 H 1 3.7400 0.02 . 1 . . . A 12 GLY HA2 . 36055 1 104 . 1 1 12 12 GLY HA3 H 1 4.3120 0.02 . 1 . . . A 12 GLY HA3 . 36055 1 105 . 1 1 12 12 GLY CA C 13 45.3400 0.3 . 1 . . . A 12 GLY CA . 36055 1 106 . 1 1 12 12 GLY N N 15 117.0400 0.2 . 1 . . . A 12 GLY N . 36055 1 107 . 1 1 13 13 TYR H H 1 7.8930 0.02 . 1 . . . A 13 TYR H . 36055 1 108 . 1 1 13 13 TYR HA H 1 4.6330 0.02 . 1 . . . A 13 TYR HA . 36055 1 109 . 1 1 13 13 TYR HB2 H 1 2.8030 0.02 . 1 . . . A 13 TYR HB2 . 36055 1 110 . 1 1 13 13 TYR HB3 H 1 2.9140 0.02 . 1 . . . A 13 TYR HB3 . 36055 1 111 . 1 1 13 13 TYR HD1 H 1 6.8960 0.02 . 3 . . . A 13 TYR HD1 . 36055 1 112 . 1 1 13 13 TYR HD2 H 1 6.8960 0.02 . 3 . . . A 13 TYR HD2 . 36055 1 113 . 1 1 13 13 TYR HE1 H 1 6.4500 0.02 . 3 . . . A 13 TYR HE1 . 36055 1 114 . 1 1 13 13 TYR HE2 H 1 6.4500 0.02 . 3 . . . A 13 TYR HE2 . 36055 1 115 . 1 1 13 13 TYR CA C 13 58.1380 0.3 . 1 . . . A 13 TYR CA . 36055 1 116 . 1 1 13 13 TYR CB C 13 38.9200 0.3 . 1 . . . A 13 TYR CB . 36055 1 117 . 1 1 13 13 TYR CD1 C 13 132.7000 0.3 . 3 . . . A 13 TYR CD1 . 36055 1 118 . 1 1 13 13 TYR CD2 C 13 132.7000 0.3 . 3 . . . A 13 TYR CD2 . 36055 1 119 . 1 1 13 13 TYR CE1 C 13 117.8600 0.3 . 3 . . . A 13 TYR CE1 . 36055 1 120 . 1 1 13 13 TYR CE2 C 13 117.8600 0.3 . 3 . . . A 13 TYR CE2 . 36055 1 121 . 1 1 13 13 TYR N N 15 121.8900 0.2 . 1 . . . A 13 TYR N . 36055 1 122 . 1 1 14 14 SER H H 1 8.4390 0.02 . 1 . . . A 14 SER H . 36055 1 123 . 1 1 14 14 SER HA H 1 4.5250 0.02 . 1 . . . A 14 SER HA . 36055 1 124 . 1 1 14 14 SER HB2 H 1 3.7910 0.02 . 1 . . . A 14 SER HB2 . 36055 1 125 . 1 1 14 14 SER HB3 H 1 3.6280 0.02 . 1 . . . A 14 SER HB3 . 36055 1 126 . 1 1 14 14 SER CA C 13 57.0000 0.3 . 1 . . . A 14 SER CA . 36055 1 127 . 1 1 14 14 SER CB C 13 64.0500 0.3 . 1 . . . A 14 SER CB . 36055 1 128 . 1 1 14 14 SER N N 15 123.6200 0.2 . 1 . . . A 14 SER N . 36055 1 129 . 1 1 15 15 GLY H H 1 5.1070 0.02 . 1 . . . A 15 GLY H . 36055 1 130 . 1 1 15 15 GLY HA2 H 1 4.0160 0.02 . 1 . . . A 15 GLY HA2 . 36055 1 131 . 1 1 15 15 GLY HA3 H 1 3.6540 0.02 . 1 . . . A 15 GLY HA3 . 36055 1 132 . 1 1 15 15 GLY CA C 13 44.9400 0.3 . 1 . . . A 15 GLY CA . 36055 1 133 . 1 1 15 15 GLY N N 15 108.2300 0.2 . 1 . . . A 15 GLY N . 36055 1 134 . 1 1 16 16 PRO HA H 1 4.4860 0.02 . 1 . . . A 16 PRO HA . 36055 1 135 . 1 1 16 16 PRO HB2 H 1 1.8100 0.02 . 1 . . . A 16 PRO HB2 . 36055 1 136 . 1 1 16 16 PRO HB3 H 1 2.3250 0.02 . 1 . . . A 16 PRO HB3 . 36055 1 137 . 1 1 16 16 PRO HG2 H 1 2.0240 0.02 . 1 . . . A 16 PRO HG2 . 36055 1 138 . 1 1 16 16 PRO HG3 H 1 2.0240 0.02 . 1 . . . A 16 PRO HG3 . 36055 1 139 . 1 1 16 16 PRO HD2 H 1 3.4630 0.02 . 2 . . . A 16 PRO HD2 . 36055 1 140 . 1 1 16 16 PRO HD3 H 1 3.7910 0.02 . 2 . . . A 16 PRO HD3 . 36055 1 141 . 1 1 16 16 PRO CA C 13 63.3300 0.3 . 1 . . . A 16 PRO CA . 36055 1 142 . 1 1 16 16 PRO CB C 13 32.5800 0.3 . 1 . . . A 16 PRO CB . 36055 1 143 . 1 1 16 16 PRO CG C 13 27.4400 0.3 . 1 . . . A 16 PRO CG . 36055 1 144 . 1 1 16 16 PRO CD C 13 49.8300 0.3 . 1 . . . A 16 PRO CD . 36055 1 145 . 1 1 17 17 THR H H 1 8.4200 0.02 . 1 . . . A 17 THR H . 36055 1 146 . 1 1 17 17 THR HA H 1 4.8410 0.02 . 1 . . . A 17 THR HA . 36055 1 147 . 1 1 17 17 THR HB H 1 4.5910 0.02 . 1 . . . A 17 THR HB . 36055 1 148 . 1 1 17 17 THR HG21 H 1 1.3130 0.02 . 1 . . . A 17 THR HG21 . 36055 1 149 . 1 1 17 17 THR HG22 H 1 1.3130 0.02 . 1 . . . A 17 THR HG22 . 36055 1 150 . 1 1 17 17 THR HG23 H 1 1.3130 0.02 . 1 . . . A 17 THR HG23 . 36055 1 151 . 1 1 17 17 THR CA C 13 61.4360 0.3 . 1 . . . A 17 THR CA . 36055 1 152 . 1 1 17 17 THR CB C 13 69.9100 0.3 . 1 . . . A 17 THR CB . 36055 1 153 . 1 1 17 17 THR CG2 C 13 21.5400 0.3 . 1 . . . A 17 THR CG2 . 36055 1 154 . 1 1 17 17 THR N N 15 111.0360 0.2 . 1 . . . A 17 THR N . 36055 1 155 . 1 1 18 18 VAL H H 1 7.1680 0.02 . 1 . . . A 18 VAL H . 36055 1 156 . 1 1 18 18 VAL HA H 1 4.1220 0.02 . 1 . . . A 18 VAL HA . 36055 1 157 . 1 1 18 18 VAL HB H 1 1.9840 0.02 . 1 . . . A 18 VAL HB . 36055 1 158 . 1 1 18 18 VAL HG11 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG11 . 36055 1 159 . 1 1 18 18 VAL HG12 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG12 . 36055 1 160 . 1 1 18 18 VAL HG13 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG13 . 36055 1 161 . 1 1 18 18 VAL HG21 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG21 . 36055 1 162 . 1 1 18 18 VAL HG22 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG22 . 36055 1 163 . 1 1 18 18 VAL HG23 H 1 0.9710 0.02 . 1 . . . A 18 VAL HG23 . 36055 1 164 . 1 1 18 18 VAL CA C 13 61.8100 0.3 . 1 . . . A 18 VAL CA . 36055 1 165 . 1 1 18 18 VAL CB C 13 32.6900 0.3 . 1 . . . A 18 VAL CB . 36055 1 166 . 1 1 18 18 VAL CG1 C 13 21.1600 0.3 . 1 . . . A 18 VAL CG1 . 36055 1 167 . 1 1 18 18 VAL CG2 C 13 21.1600 0.3 . 1 . . . A 18 VAL CG2 . 36055 1 168 . 1 1 18 18 VAL N N 15 121.2930 0.2 . 1 . . . A 18 VAL N . 36055 1 169 . 1 1 19 19 CYS H H 1 8.6400 0.02 . 1 . . . A 19 CYS H . 36055 1 170 . 1 1 19 19 CYS HA H 1 4.6500 0.02 . 1 . . . A 19 CYS HA . 36055 1 171 . 1 1 19 19 CYS HB2 H 1 2.2620 0.02 . 1 . . . A 19 CYS HB2 . 36055 1 172 . 1 1 19 19 CYS HB3 H 1 3.5660 0.02 . 1 . . . A 19 CYS HB3 . 36055 1 173 . 1 1 19 19 CYS CA C 13 55.5700 0.3 . 1 . . . A 19 CYS CA . 36055 1 174 . 1 1 19 19 CYS CB C 13 40.2400 0.3 . 1 . . . A 19 CYS CB . 36055 1 175 . 1 1 19 19 CYS N N 15 125.8900 0.2 . 1 . . . A 19 CYS N . 36055 1 176 . 1 1 20 20 ALA H H 1 7.7260 0.02 . 1 . . . A 20 ALA H . 36055 1 177 . 1 1 20 20 ALA HA H 1 4.0670 0.02 . 1 . . . A 20 ALA HA . 36055 1 178 . 1 1 20 20 ALA HB1 H 1 1.3210 0.02 . 1 . . . A 20 ALA HB1 . 36055 1 179 . 1 1 20 20 ALA HB2 H 1 1.3210 0.02 . 1 . . . A 20 ALA HB2 . 36055 1 180 . 1 1 20 20 ALA HB3 H 1 1.3210 0.02 . 1 . . . A 20 ALA HB3 . 36055 1 181 . 1 1 20 20 ALA CA C 13 52.1900 0.3 . 1 . . . A 20 ALA CA . 36055 1 182 . 1 1 20 20 ALA CB C 13 19.4400 0.3 . 1 . . . A 20 ALA CB . 36055 1 183 . 1 1 20 20 ALA N N 15 123.5680 0.2 . 1 . . . A 20 ALA N . 36055 1 184 . 1 1 21 21 SER H H 1 8.4650 0.02 . 1 . . . A 21 SER H . 36055 1 185 . 1 1 21 21 SER HA H 1 4.1650 0.02 . 1 . . . A 21 SER HA . 36055 1 186 . 1 1 21 21 SER HB2 H 1 3.8440 0.02 . 1 . . . A 21 SER HB2 . 36055 1 187 . 1 1 21 21 SER HB3 H 1 3.8440 0.02 . 1 . . . A 21 SER HB3 . 36055 1 188 . 1 1 21 21 SER CA C 13 60.2000 0.3 . 1 . . . A 21 SER CA . 36055 1 189 . 1 1 21 21 SER CB C 13 62.9500 0.3 . 1 . . . A 21 SER CB . 36055 1 190 . 1 1 21 21 SER N N 15 115.7100 0.2 . 1 . . . A 21 SER N . 36055 1 191 . 1 1 22 22 GLY H H 1 8.8880 0.02 . 1 . . . A 22 GLY H . 36055 1 192 . 1 1 22 22 GLY HA2 H 1 3.6120 0.02 . 1 . . . A 22 GLY HA2 . 36055 1 193 . 1 1 22 22 GLY HA3 H 1 4.2760 0.02 . 1 . . . A 22 GLY HA3 . 36055 1 194 . 1 1 22 22 GLY CA C 13 44.9000 0.3 . 1 . . . A 22 GLY CA . 36055 1 195 . 1 1 22 22 GLY N N 15 113.7660 0.2 . 1 . . . A 22 GLY N . 36055 1 196 . 1 1 23 23 THR H H 1 8.0000 0.02 . 1 . . . A 23 THR H . 36055 1 197 . 1 1 23 23 THR HA H 1 4.6680 0.02 . 1 . . . A 23 THR HA . 36055 1 198 . 1 1 23 23 THR HB H 1 3.7390 0.02 . 1 . . . A 23 THR HB . 36055 1 199 . 1 1 23 23 THR HG21 H 1 0.3700 0.02 . 1 . . . A 23 THR HG21 . 36055 1 200 . 1 1 23 23 THR HG22 H 1 0.3700 0.02 . 1 . . . A 23 THR HG22 . 36055 1 201 . 1 1 23 23 THR HG23 H 1 0.3700 0.02 . 1 . . . A 23 THR HG23 . 36055 1 202 . 1 1 23 23 THR CA C 13 59.6700 0.3 . 1 . . . A 23 THR CA . 36055 1 203 . 1 1 23 23 THR CB C 13 72.2400 0.3 . 1 . . . A 23 THR CB . 36055 1 204 . 1 1 23 23 THR CG2 C 13 21.9900 0.3 . 1 . . . A 23 THR CG2 . 36055 1 205 . 1 1 23 23 THR N N 15 110.4700 0.2 . 1 . . . A 23 THR N . 36055 1 206 . 1 1 24 24 THR H H 1 9.3000 0.02 . 1 . . . A 24 THR H . 36055 1 207 . 1 1 24 24 THR HA H 1 4.4900 0.02 . 1 . . . A 24 THR HA . 36055 1 208 . 1 1 24 24 THR HB H 1 4.0060 0.02 . 1 . . . A 24 THR HB . 36055 1 209 . 1 1 24 24 THR HG21 H 1 1.1180 0.02 . 1 . . . A 24 THR HG21 . 36055 1 210 . 1 1 24 24 THR HG22 H 1 1.1180 0.02 . 1 . . . A 24 THR HG22 . 36055 1 211 . 1 1 24 24 THR HG23 H 1 1.1180 0.02 . 1 . . . A 24 THR HG23 . 36055 1 212 . 1 1 24 24 THR CA C 13 60.2000 0.3 . 1 . . . A 24 THR CA . 36055 1 213 . 1 1 24 24 THR CB C 13 72.4470 0.3 . 1 . . . A 24 THR CB . 36055 1 214 . 1 1 24 24 THR CG2 C 13 21.8900 0.3 . 1 . . . A 24 THR CG2 . 36055 1 215 . 1 1 24 24 THR N N 15 112.2000 0.2 . 1 . . . A 24 THR N . 36055 1 216 . 1 1 25 25 CYS H H 1 8.8090 0.02 . 1 . . . A 25 CYS H . 36055 1 217 . 1 1 25 25 CYS HA H 1 4.5350 0.02 . 1 . . . A 25 CYS HA . 36055 1 218 . 1 1 25 25 CYS HB2 H 1 3.1550 0.02 . 1 . . . A 25 CYS HB2 . 36055 1 219 . 1 1 25 25 CYS HB3 H 1 2.9060 0.02 . 1 . . . A 25 CYS HB3 . 36055 1 220 . 1 1 25 25 CYS CA C 13 56.1800 0.3 . 1 . . . A 25 CYS CA . 36055 1 221 . 1 1 25 25 CYS CB C 13 38.6200 0.3 . 1 . . . A 25 CYS CB . 36055 1 222 . 1 1 25 25 CYS N N 15 122.2500 0.2 . 1 . . . A 25 CYS N . 36055 1 223 . 1 1 26 26 GLN H H 1 9.0660 0.02 . 1 . . . A 26 GLN H . 36055 1 224 . 1 1 26 26 GLN HA H 1 4.5930 0.02 . 1 . . . A 26 GLN HA . 36055 1 225 . 1 1 26 26 GLN HB2 H 1 1.9420 0.02 . 1 . . . A 26 GLN HB2 . 36055 1 226 . 1 1 26 26 GLN HB3 H 1 2.0590 0.02 . 1 . . . A 26 GLN HB3 . 36055 1 227 . 1 1 26 26 GLN HG2 H 1 2.2600 0.02 . 2 . . . A 26 GLN HG2 . 36055 1 228 . 1 1 26 26 GLN HG3 H 1 2.4250 0.02 . 2 . . . A 26 GLN HG3 . 36055 1 229 . 1 1 26 26 GLN HE21 H 1 7.0140 0.02 . 1 . . . A 26 GLN HE21 . 36055 1 230 . 1 1 26 26 GLN HE22 H 1 6.7210 0.02 . 1 . . . A 26 GLN HE22 . 36055 1 231 . 1 1 26 26 GLN CA C 13 55.0300 0.3 . 1 . . . A 26 GLN CA . 36055 1 232 . 1 1 26 26 GLN CB C 13 30.3300 0.3 . 1 . . . A 26 GLN CB . 36055 1 233 . 1 1 26 26 GLN CG C 13 33.6300 0.3 . 1 . . . A 26 GLN CG . 36055 1 234 . 1 1 26 26 GLN N N 15 133.6730 0.2 . 1 . . . A 26 GLN N . 36055 1 235 . 1 1 26 26 GLN NE2 N 15 112.1800 0.2 . 1 . . . A 26 GLN NE2 . 36055 1 236 . 1 1 27 27 VAL H H 1 8.6390 0.02 . 1 . . . A 27 VAL H . 36055 1 237 . 1 1 27 27 VAL HA H 1 4.0470 0.02 . 1 . . . A 27 VAL HA . 36055 1 238 . 1 1 27 27 VAL HB H 1 1.9200 0.02 . 1 . . . A 27 VAL HB . 36055 1 239 . 1 1 27 27 VAL HG11 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG11 . 36055 1 240 . 1 1 27 27 VAL HG12 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG12 . 36055 1 241 . 1 1 27 27 VAL HG13 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG13 . 36055 1 242 . 1 1 27 27 VAL HG21 H 1 0.9030 0.02 . 1 . . . A 27 VAL HG21 . 36055 1 243 . 1 1 27 27 VAL HG22 H 1 0.9030 0.02 . 1 . . . A 27 VAL HG22 . 36055 1 244 . 1 1 27 27 VAL HG23 H 1 0.9030 0.02 . 1 . . . A 27 VAL HG23 . 36055 1 245 . 1 1 27 27 VAL CA C 13 63.4500 0.3 . 1 . . . A 27 VAL CA . 36055 1 246 . 1 1 27 27 VAL CB C 13 32.7100 0.3 . 1 . . . A 27 VAL CB . 36055 1 247 . 1 1 27 27 VAL CG1 C 13 20.7800 0.3 . 1 . . . A 27 VAL CG1 . 36055 1 248 . 1 1 27 27 VAL CG2 C 13 20.9000 0.3 . 1 . . . A 27 VAL CG2 . 36055 1 249 . 1 1 27 27 VAL N N 15 125.6800 0.2 . 1 . . . A 27 VAL N . 36055 1 250 . 1 1 28 28 LEU H H 1 8.6140 0.02 . 1 . . . A 28 LEU H . 36055 1 251 . 1 1 28 28 LEU HA H 1 4.7050 0.02 . 1 . . . A 28 LEU HA . 36055 1 252 . 1 1 28 28 LEU HB2 H 1 1.9190 0.02 . 1 . . . A 28 LEU HB2 . 36055 1 253 . 1 1 28 28 LEU HB3 H 1 1.8000 0.02 . 1 . . . A 28 LEU HB3 . 36055 1 254 . 1 1 28 28 LEU HG H 1 1.7960 0.02 . 1 . . . A 28 LEU HG . 36055 1 255 . 1 1 28 28 LEU HD11 H 1 1.0230 0.02 . 1 . . . A 28 LEU HD11 . 36055 1 256 . 1 1 28 28 LEU HD12 H 1 1.0230 0.02 . 1 . . . A 28 LEU HD12 . 36055 1 257 . 1 1 28 28 LEU HD13 H 1 1.0230 0.02 . 1 . . . A 28 LEU HD13 . 36055 1 258 . 1 1 28 28 LEU HD21 H 1 0.9170 0.02 . 1 . . . A 28 LEU HD21 . 36055 1 259 . 1 1 28 28 LEU HD22 H 1 0.9170 0.02 . 1 . . . A 28 LEU HD22 . 36055 1 260 . 1 1 28 28 LEU HD23 H 1 0.9170 0.02 . 1 . . . A 28 LEU HD23 . 36055 1 261 . 1 1 28 28 LEU CA C 13 56.7000 0.3 . 1 . . . A 28 LEU CA . 36055 1 262 . 1 1 28 28 LEU CB C 13 42.3400 0.3 . 1 . . . A 28 LEU CB . 36055 1 263 . 1 1 28 28 LEU CG C 13 28.4800 0.3 . 1 . . . A 28 LEU CG . 36055 1 264 . 1 1 28 28 LEU CD1 C 13 25.1800 0.3 . 1 . . . A 28 LEU CD1 . 36055 1 265 . 1 1 28 28 LEU CD2 C 13 23.8000 0.3 . 1 . . . A 28 LEU CD2 . 36055 1 266 . 1 1 28 28 LEU N N 15 130.4140 0.2 . 1 . . . A 28 LEU N . 36055 1 267 . 1 1 29 29 ASN H H 1 8.6080 0.02 . 1 . . . A 29 ASN H . 36055 1 268 . 1 1 29 29 ASN HA H 1 4.8950 0.02 . 1 . . . A 29 ASN HA . 36055 1 269 . 1 1 29 29 ASN HB2 H 1 3.2210 0.02 . 1 . . . A 29 ASN HB2 . 36055 1 270 . 1 1 29 29 ASN HB3 H 1 3.2210 0.02 . 1 . . . A 29 ASN HB3 . 36055 1 271 . 1 1 29 29 ASN HD21 H 1 7.8620 0.02 . 1 . . . A 29 ASN HD21 . 36055 1 272 . 1 1 29 29 ASN HD22 H 1 6.9960 0.02 . 1 . . . A 29 ASN HD22 . 36055 1 273 . 1 1 29 29 ASN CA C 13 53.0000 0.3 . 1 . . . A 29 ASN CA . 36055 1 274 . 1 1 29 29 ASN CB C 13 37.6000 0.3 . 1 . . . A 29 ASN CB . 36055 1 275 . 1 1 29 29 ASN N N 15 115.5700 0.2 . 1 . . . A 29 ASN N . 36055 1 276 . 1 1 29 29 ASN ND2 N 15 115.1600 0.2 . 1 . . . A 29 ASN ND2 . 36055 1 277 . 1 1 30 30 PRO HA H 1 4.1890 0.02 . 1 . . . A 30 PRO HA . 36055 1 278 . 1 1 30 30 PRO HB2 H 1 1.2110 0.02 . 1 . . . A 30 PRO HB2 . 36055 1 279 . 1 1 30 30 PRO HB3 H 1 2.2340 0.02 . 1 . . . A 30 PRO HB3 . 36055 1 280 . 1 1 30 30 PRO HG2 H 1 2.0850 0.02 . 1 . . . A 30 PRO HG2 . 36055 1 281 . 1 1 30 30 PRO HG3 H 1 1.8940 0.02 . 1 . . . A 30 PRO HG3 . 36055 1 282 . 1 1 30 30 PRO HD2 H 1 3.6930 0.02 . 1 . . . A 30 PRO HD2 . 36055 1 283 . 1 1 30 30 PRO HD3 H 1 3.9130 0.02 . 1 . . . A 30 PRO HD3 . 36055 1 284 . 1 1 30 30 PRO CA C 13 65.6800 0.3 . 1 . . . A 30 PRO CA . 36055 1 285 . 1 1 30 30 PRO CB C 13 31.9900 0.3 . 1 . . . A 30 PRO CB . 36055 1 286 . 1 1 30 30 PRO CG C 13 28.2500 0.3 . 1 . . . A 30 PRO CG . 36055 1 287 . 1 1 30 30 PRO CD C 13 51.1780 0.3 . 1 . . . A 30 PRO CD . 36055 1 288 . 1 1 31 31 TYR H H 1 8.6490 0.02 . 1 . . . A 31 TYR H . 36055 1 289 . 1 1 31 31 TYR HA H 1 4.3760 0.02 . 1 . . . A 31 TYR HA . 36055 1 290 . 1 1 31 31 TYR HB2 H 1 2.8750 0.02 . 1 . . . A 31 TYR HB2 . 36055 1 291 . 1 1 31 31 TYR HB3 H 1 3.3680 0.02 . 1 . . . A 31 TYR HB3 . 36055 1 292 . 1 1 31 31 TYR HD1 H 1 7.0290 0.02 . 3 . . . A 31 TYR HD1 . 36055 1 293 . 1 1 31 31 TYR HD2 H 1 7.0290 0.02 . 3 . . . A 31 TYR HD2 . 36055 1 294 . 1 1 31 31 TYR HE1 H 1 6.7190 0.02 . 3 . . . A 31 TYR HE1 . 36055 1 295 . 1 1 31 31 TYR HE2 H 1 6.7190 0.02 . 3 . . . A 31 TYR HE2 . 36055 1 296 . 1 1 31 31 TYR CA C 13 58.4100 0.3 . 1 . . . A 31 TYR CA . 36055 1 297 . 1 1 31 31 TYR CB C 13 39.2500 0.3 . 1 . . . A 31 TYR CB . 36055 1 298 . 1 1 31 31 TYR CD1 C 13 133.5300 0.3 . 3 . . . A 31 TYR CD1 . 36055 1 299 . 1 1 31 31 TYR CD2 C 13 133.5300 0.3 . 3 . . . A 31 TYR CD2 . 36055 1 300 . 1 1 31 31 TYR CE1 C 13 118.1800 0.3 . 3 . . . A 31 TYR CE1 . 36055 1 301 . 1 1 31 31 TYR CE2 C 13 118.1800 0.3 . 3 . . . A 31 TYR CE2 . 36055 1 302 . 1 1 31 31 TYR N N 15 112.8300 0.2 . 1 . . . A 31 TYR N . 36055 1 303 . 1 1 32 32 TYR H H 1 7.8950 0.02 . 1 . . . A 32 TYR H . 36055 1 304 . 1 1 32 32 TYR HA H 1 4.5730 0.02 . 1 . . . A 32 TYR HA . 36055 1 305 . 1 1 32 32 TYR HB2 H 1 2.8190 0.02 . 1 . . . A 32 TYR HB2 . 36055 1 306 . 1 1 32 32 TYR HB3 H 1 2.6680 0.02 . 1 . . . A 32 TYR HB3 . 36055 1 307 . 1 1 32 32 TYR HD1 H 1 6.8450 0.02 . 3 . . . A 32 TYR HD1 . 36055 1 308 . 1 1 32 32 TYR HD2 H 1 6.8450 0.02 . 3 . . . A 32 TYR HD2 . 36055 1 309 . 1 1 32 32 TYR HE1 H 1 6.4790 0.02 . 3 . . . A 32 TYR HE1 . 36055 1 310 . 1 1 32 32 TYR HE2 H 1 6.4790 0.02 . 3 . . . A 32 TYR HE2 . 36055 1 311 . 1 1 32 32 TYR CA C 13 61.3300 0.3 . 1 . . . A 32 TYR CA . 36055 1 312 . 1 1 32 32 TYR CB C 13 42.7100 0.3 . 1 . . . A 32 TYR CB . 36055 1 313 . 1 1 32 32 TYR CD1 C 13 132.6800 0.3 . 3 . . . A 32 TYR CD1 . 36055 1 314 . 1 1 32 32 TYR CD2 C 13 132.6800 0.3 . 3 . . . A 32 TYR CD2 . 36055 1 315 . 1 1 32 32 TYR CE1 C 13 117.9100 0.3 . 3 . . . A 32 TYR CE1 . 36055 1 316 . 1 1 32 32 TYR CE2 C 13 117.9100 0.3 . 3 . . . A 32 TYR CE2 . 36055 1 317 . 1 1 32 32 TYR N N 15 124.6300 0.2 . 1 . . . A 32 TYR N . 36055 1 318 . 1 1 33 33 SER H H 1 6.6640 0.02 . 1 . . . A 33 SER H . 36055 1 319 . 1 1 33 33 SER HA H 1 5.1520 0.02 . 1 . . . A 33 SER HA . 36055 1 320 . 1 1 33 33 SER HB2 H 1 2.8220 0.02 . 1 . . . A 33 SER HB2 . 36055 1 321 . 1 1 33 33 SER HB3 H 1 3.5290 0.02 . 1 . . . A 33 SER HB3 . 36055 1 322 . 1 1 33 33 SER CA C 13 56.3000 0.3 . 1 . . . A 33 SER CA . 36055 1 323 . 1 1 33 33 SER CB C 13 65.8800 0.3 . 1 . . . A 33 SER CB . 36055 1 324 . 1 1 33 33 SER N N 15 124.6900 0.2 . 1 . . . A 33 SER N . 36055 1 325 . 1 1 34 34 GLN H H 1 9.0560 0.02 . 1 . . . A 34 GLN H . 36055 1 326 . 1 1 34 34 GLN HA H 1 4.8660 0.02 . 1 . . . A 34 GLN HA . 36055 1 327 . 1 1 34 34 GLN HB2 H 1 1.5870 0.02 . 2 . . . A 34 GLN HB2 . 36055 1 328 . 1 1 34 34 GLN HB3 H 1 1.8960 0.02 . 2 . . . A 34 GLN HB3 . 36055 1 329 . 1 1 34 34 GLN HG2 H 1 2.0610 0.02 . 2 . . . A 34 GLN HG2 . 36055 1 330 . 1 1 34 34 GLN HG3 H 1 2.1660 0.02 . 2 . . . A 34 GLN HG3 . 36055 1 331 . 1 1 34 34 GLN HE21 H 1 7.6550 0.02 . 1 . . . A 34 GLN HE21 . 36055 1 332 . 1 1 34 34 GLN HE22 H 1 6.6630 0.02 . 1 . . . A 34 GLN HE22 . 36055 1 333 . 1 1 34 34 GLN CA C 13 54.4800 0.3 . 1 . . . A 34 GLN CA . 36055 1 334 . 1 1 34 34 GLN CB C 13 34.5200 0.3 . 1 . . . A 34 GLN CB . 36055 1 335 . 1 1 34 34 GLN CG C 13 33.9700 0.3 . 1 . . . A 34 GLN CG . 36055 1 336 . 1 1 34 34 GLN N N 15 127.4780 0.2 . 1 . . . A 34 GLN N . 36055 1 337 . 1 1 34 34 GLN NE2 N 15 108.6000 0.2 . 1 . . . A 34 GLN NE2 . 36055 1 338 . 1 1 35 35 CYS H H 1 8.4600 0.02 . 1 . . . A 35 CYS H . 36055 1 339 . 1 1 35 35 CYS HA H 1 5.0480 0.02 . 1 . . . A 35 CYS HA . 36055 1 340 . 1 1 35 35 CYS HB2 H 1 3.0510 0.02 . 1 . . . A 35 CYS HB2 . 36055 1 341 . 1 1 35 35 CYS HB3 H 1 3.1360 0.02 . 1 . . . A 35 CYS HB3 . 36055 1 342 . 1 1 35 35 CYS CA C 13 53.7300 0.3 . 1 . . . A 35 CYS CA . 36055 1 343 . 1 1 35 35 CYS CB C 13 37.9200 0.3 . 1 . . . A 35 CYS CB . 36055 1 344 . 1 1 35 35 CYS N N 15 124.0900 0.2 . 1 . . . A 35 CYS N . 36055 1 345 . 1 1 36 36 LEU H H 1 8.9800 0.02 . 1 . . . A 36 LEU H . 36055 1 346 . 1 1 36 36 LEU HA H 1 4.5080 0.02 . 1 . . . A 36 LEU HA . 36055 1 347 . 1 1 36 36 LEU HB2 H 1 1.5690 0.02 . 1 . . . A 36 LEU HB2 . 36055 1 348 . 1 1 36 36 LEU HB3 H 1 1.5690 0.02 . 1 . . . A 36 LEU HB3 . 36055 1 349 . 1 1 36 36 LEU HG H 1 1.3480 0.02 . 1 . . . A 36 LEU HG . 36055 1 350 . 1 1 36 36 LEU HD11 H 1 0.9210 0.02 . 2 . . . A 36 LEU HD11 . 36055 1 351 . 1 1 36 36 LEU HD12 H 1 0.9210 0.02 . 2 . . . A 36 LEU HD12 . 36055 1 352 . 1 1 36 36 LEU HD13 H 1 0.9210 0.02 . 2 . . . A 36 LEU HD13 . 36055 1 353 . 1 1 36 36 LEU HD21 H 1 0.9980 0.02 . 2 . . . A 36 LEU HD21 . 36055 1 354 . 1 1 36 36 LEU HD22 H 1 0.9980 0.02 . 2 . . . A 36 LEU HD22 . 36055 1 355 . 1 1 36 36 LEU HD23 H 1 0.9980 0.02 . 2 . . . A 36 LEU HD23 . 36055 1 356 . 1 1 36 36 LEU CA C 13 55.8740 0.3 . 1 . . . A 36 LEU CA . 36055 1 357 . 1 1 36 36 LEU CB C 13 47.7000 0.3 . 1 . . . A 36 LEU CB . 36055 1 358 . 1 1 36 36 LEU CG C 13 27.1900 0.3 . 1 . . . A 36 LEU CG . 36055 1 359 . 1 1 36 36 LEU CD1 C 13 25.4000 0.3 . 2 . . . A 36 LEU CD1 . 36055 1 360 . 1 1 36 36 LEU CD2 C 13 23.4200 0.3 . 2 . . . A 36 LEU CD2 . 36055 1 361 . 1 1 36 36 LEU N N 15 134.7600 0.2 . 1 . . . A 36 LEU N . 36055 1 362 . 2 2 1 1 MAN H1 H 1 4.9460 0.02 . 1 . . . A 101 MAN H1 . 36055 1 363 . 2 2 1 1 MAN H2 H 1 3.8990 0.02 . 1 . . . A 101 MAN H2 . 36055 1 364 . 2 2 1 1 MAN H3 H 1 3.9430 0.02 . 1 . . . A 101 MAN H3 . 36055 1 365 . 2 2 1 1 MAN H4 H 1 3.7190 0.02 . 1 . . . A 101 MAN H4 . 36055 1 366 . 2 2 1 1 MAN H5 H 1 3.7110 0.02 . 1 . . . A 101 MAN H5 . 36055 1 367 . 2 2 1 1 MAN H61 H 1 3.8140 0.02 . 2 . . . A 101 MAN H61 . 36055 1 368 . 2 2 1 1 MAN H62 H 1 3.9380 0.02 . 2 . . . A 101 MAN H62 . 36055 1 369 . 2 2 1 1 MAN C1 C 13 103.8000 0.3 . 1 . . . A 101 MAN C1 . 36055 1 370 . 2 2 1 1 MAN C2 C 13 72.7780 0.3 . 1 . . . A 101 MAN C2 . 36055 1 371 . 2 2 1 1 MAN C3 C 13 73.4300 0.3 . 1 . . . A 101 MAN C3 . 36055 1 372 . 2 2 1 1 MAN C4 C 13 69.8200 0.3 . 1 . . . A 101 MAN C4 . 36055 1 373 . 2 2 1 1 MAN C5 C 13 75.7920 0.3 . 1 . . . A 101 MAN C5 . 36055 1 374 . 2 2 1 1 MAN C6 C 13 63.8100 0.3 . 1 . . . A 101 MAN C6 . 36055 1 stop_ save_