################################### # 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 36056 _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 36056 1 2 '2D DQF-COSY' 1 $sample_1 isotropic 36056 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36056 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36056 1 5 '2D 1H-13C HSQC-TOCSY' 1 $sample_1 isotropic 36056 1 6 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36056 1 7 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 36056 1 8 '2D DQF-COSY' 2 $sample_2 isotropic 36056 1 9 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36056 1 10 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36056 1 11 '2D 1H-13C HSQC-TOCSY' 2 $sample_2 isotropic 36056 1 12 '2D 1H-13C H2BC' 2 $sample_2 isotropic 36056 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 3.9240 0.02 . 1 . . . A 1 THR HA . 36056 1 2 . 1 1 1 1 THR HB H 1 4.1550 0.02 . 1 . . . A 1 THR HB . 36056 1 3 . 1 1 1 1 THR HG21 H 1 1.2790 0.02 . 1 . . . A 1 THR HG21 . 36056 1 4 . 1 1 1 1 THR HG22 H 1 1.2790 0.02 . 1 . . . A 1 THR HG22 . 36056 1 5 . 1 1 1 1 THR HG23 H 1 1.2790 0.02 . 1 . . . A 1 THR HG23 . 36056 1 6 . 1 1 1 1 THR CA C 13 61.2000 0.3 . 1 . . . A 1 THR CA . 36056 1 7 . 1 1 1 1 THR CB C 13 69.3000 0.3 . 1 . . . A 1 THR CB . 36056 1 8 . 1 1 1 1 THR CG2 C 13 21.8000 0.3 . 1 . . . A 1 THR CG2 . 36056 1 9 . 1 1 2 2 GLN H H 1 8.6120 0.02 . 1 . . . A 2 GLN H . 36056 1 10 . 1 1 2 2 GLN HA H 1 4.6190 0.02 . 1 . . . A 2 GLN HA . 36056 1 11 . 1 1 2 2 GLN HB2 H 1 1.9980 0.02 . 2 . . . A 2 GLN HB2 . 36056 1 12 . 1 1 2 2 GLN HB3 H 1 1.8590 0.02 . 2 . . . A 2 GLN HB3 . 36056 1 13 . 1 1 2 2 GLN HG2 H 1 2.3050 0.02 . 2 . . . A 2 GLN HG2 . 36056 1 14 . 1 1 2 2 GLN HG3 H 1 2.5220 0.02 . 2 . . . A 2 GLN HG3 . 36056 1 15 . 1 1 2 2 GLN HE21 H 1 8.1710 0.02 . 1 . . . A 2 GLN HE21 . 36056 1 16 . 1 1 2 2 GLN HE22 H 1 7.0270 0.02 . 1 . . . A 2 GLN HE22 . 36056 1 17 . 1 1 2 2 GLN CA C 13 54.9200 0.3 . 1 . . . A 2 GLN CA . 36056 1 18 . 1 1 2 2 GLN CB C 13 30.1500 0.3 . 1 . . . A 2 GLN CB . 36056 1 19 . 1 1 2 2 GLN CG C 13 33.3400 0.3 . 1 . . . A 2 GLN CG . 36056 1 20 . 1 1 2 2 GLN N N 15 112.5900 0.2 . 1 . . . A 2 GLN N . 36056 1 21 . 1 1 2 2 GLN NE2 N 15 113.8100 0.2 . 1 . . . A 2 GLN NE2 . 36056 1 22 . 1 1 3 3 SER H H 1 8.7890 0.02 . 1 . . . A 3 SER H . 36056 1 23 . 1 1 3 3 SER HA H 1 4.5850 0.02 . 1 . . . A 3 SER HA . 36056 1 24 . 1 1 3 3 SER HB2 H 1 4.0050 0.02 . 2 . . . A 3 SER HB2 . 36056 1 25 . 1 1 3 3 SER HB3 H 1 3.8150 0.02 . 2 . . . A 3 SER HB3 . 36056 1 26 . 1 1 3 3 SER CA C 13 56.3100 0.3 . 1 . . . A 3 SER CA . 36056 1 27 . 1 1 3 3 SER CB C 13 70.1200 0.3 . 1 . . . A 3 SER CB . 36056 1 28 . 1 1 3 3 SER N N 15 119.5700 0.2 . 1 . . . A 3 SER N . 36056 1 29 . 1 1 4 4 HIS H H 1 8.7780 0.02 . 1 . . . A 4 HIS H . 36056 1 30 . 1 1 4 4 HIS HA H 1 4.4450 0.02 . 1 . . . A 4 HIS HA . 36056 1 31 . 1 1 4 4 HIS HB2 H 1 3.2240 0.02 . 1 . . . A 4 HIS HB2 . 36056 1 32 . 1 1 4 4 HIS HB3 H 1 3.2240 0.02 . 1 . . . A 4 HIS HB3 . 36056 1 33 . 1 1 4 4 HIS HD2 H 1 7.2440 0.02 . 1 . . . A 4 HIS HD2 . 36056 1 34 . 1 1 4 4 HIS HE1 H 1 8.5760 0.02 . 1 . . . A 4 HIS HE1 . 36056 1 35 . 1 1 4 4 HIS CA C 13 56.3500 0.3 . 1 . . . A 4 HIS CA . 36056 1 36 . 1 1 4 4 HIS CB C 13 29.3700 0.3 . 1 . . . A 4 HIS CB . 36056 1 37 . 1 1 4 4 HIS CD2 C 13 119.9700 0.3 . 1 . . . A 4 HIS CD2 . 36056 1 38 . 1 1 4 4 HIS CE1 C 13 136.7700 0.3 . 1 . . . A 4 HIS CE1 . 36056 1 39 . 1 1 4 4 HIS N N 15 120.2300 0.2 . 1 . . . A 4 HIS N . 36056 1 40 . 1 1 5 5 ALA H H 1 8.8720 0.02 . 1 . . . A 5 ALA H . 36056 1 41 . 1 1 5 5 ALA HA H 1 4.1140 0.02 . 1 . . . A 5 ALA HA . 36056 1 42 . 1 1 5 5 ALA HB1 H 1 1.4260 0.02 . 1 . . . A 5 ALA HB1 . 36056 1 43 . 1 1 5 5 ALA HB2 H 1 1.4260 0.02 . 1 . . . A 5 ALA HB2 . 36056 1 44 . 1 1 5 5 ALA HB3 H 1 1.4260 0.02 . 1 . . . A 5 ALA HB3 . 36056 1 45 . 1 1 5 5 ALA CA C 13 53.5100 0.3 . 1 . . . A 5 ALA CA . 36056 1 46 . 1 1 5 5 ALA CB C 13 18.3700 0.3 . 1 . . . A 5 ALA CB . 36056 1 47 . 1 1 5 5 ALA N N 15 125.7900 0.2 . 1 . . . A 5 ALA N . 36056 1 48 . 1 1 6 6 GLY H H 1 8.6590 0.02 . 1 . . . A 6 GLY H . 36056 1 49 . 1 1 6 6 GLY HA2 H 1 4.0720 0.02 . 1 . . . A 6 GLY HA2 . 36056 1 50 . 1 1 6 6 GLY HA3 H 1 3.7410 0.02 . 1 . . . A 6 GLY HA3 . 36056 1 51 . 1 1 6 6 GLY CA C 13 45.2300 0.3 . 1 . . . A 6 GLY CA . 36056 1 52 . 1 1 6 6 GLY N N 15 109.6500 0.2 . 1 . . . A 6 GLY N . 36056 1 53 . 1 1 7 7 GLN H H 1 8.3680 0.02 . 1 . . . A 7 GLN H . 36056 1 54 . 1 1 7 7 GLN HA H 1 4.2680 0.02 . 1 . . . A 7 GLN HA . 36056 1 55 . 1 1 7 7 GLN HB2 H 1 2.0630 0.02 . 1 . . . A 7 GLN HB2 . 36056 1 56 . 1 1 7 7 GLN HB3 H 1 1.7080 0.02 . 1 . . . A 7 GLN HB3 . 36056 1 57 . 1 1 7 7 GLN HG2 H 1 1.0630 0.02 . 2 . . . A 7 GLN HG2 . 36056 1 58 . 1 1 7 7 GLN HG3 H 1 2.2890 0.02 . 2 . . . A 7 GLN HG3 . 36056 1 59 . 1 1 7 7 GLN HE21 H 1 7.1080 0.02 . 1 . . . A 7 GLN HE21 . 36056 1 60 . 1 1 7 7 GLN HE22 H 1 6.9450 0.02 . 1 . . . A 7 GLN HE22 . 36056 1 61 . 1 1 7 7 GLN CA C 13 56.4400 0.3 . 1 . . . A 7 GLN CA . 36056 1 62 . 1 1 7 7 GLN CB C 13 27.5300 0.3 . 1 . . . A 7 GLN CB . 36056 1 63 . 1 1 7 7 GLN CG C 13 33.3600 0.3 . 1 . . . A 7 GLN CG . 36056 1 64 . 1 1 7 7 GLN N N 15 122.7100 0.2 . 1 . . . A 7 GLN N . 36056 1 65 . 1 1 7 7 GLN NE2 N 15 109.2200 0.2 . 1 . . . A 7 GLN NE2 . 36056 1 66 . 1 1 8 8 CYS H H 1 7.9260 0.02 . 1 . . . A 8 CYS H . 36056 1 67 . 1 1 8 8 CYS HA H 1 5.1560 0.02 . 1 . . . A 8 CYS HA . 36056 1 68 . 1 1 8 8 CYS HB2 H 1 3.4130 0.02 . 1 . . . A 8 CYS HB2 . 36056 1 69 . 1 1 8 8 CYS HB3 H 1 2.9200 0.02 . 1 . . . A 8 CYS HB3 . 36056 1 70 . 1 1 8 8 CYS CA C 13 55.3730 0.3 . 1 . . . A 8 CYS CA . 36056 1 71 . 1 1 8 8 CYS CB C 13 46.6800 0.3 . 1 . . . A 8 CYS CB . 36056 1 72 . 1 1 8 8 CYS N N 15 115.7700 0.2 . 1 . . . A 8 CYS N . 36056 1 73 . 1 1 9 9 GLY H H 1 6.6960 0.02 . 1 . . . A 9 GLY H . 36056 1 74 . 1 1 9 9 GLY HA2 H 1 4.2450 0.02 . 2 . . . A 9 GLY HA2 . 36056 1 75 . 1 1 9 9 GLY HA3 H 1 3.8340 0.02 . 2 . . . A 9 GLY HA3 . 36056 1 76 . 1 1 9 9 GLY CA C 13 45.4000 0.3 . 1 . . . A 9 GLY CA . 36056 1 77 . 1 1 9 9 GLY N N 15 108.2000 0.2 . 1 . . . A 9 GLY N . 36056 1 78 . 1 1 10 10 GLY H H 1 8.6340 0.02 . 1 . . . A 10 GLY H . 36056 1 79 . 1 1 10 10 GLY HA2 H 1 4.3300 0.02 . 2 . . . A 10 GLY HA2 . 36056 1 80 . 1 1 10 10 GLY HA3 H 1 3.8380 0.02 . 2 . . . A 10 GLY HA3 . 36056 1 81 . 1 1 10 10 GLY CA C 13 43.2600 0.3 . 1 . . . A 10 GLY CA . 36056 1 82 . 1 1 10 10 GLY N N 15 112.2300 0.2 . 1 . . . A 10 GLY N . 36056 1 83 . 1 1 11 11 ILE H H 1 8.4240 0.02 . 1 . . . A 11 ILE H . 36056 1 84 . 1 1 11 11 ILE HA H 1 3.8160 0.02 . 1 . . . A 11 ILE HA . 36056 1 85 . 1 1 11 11 ILE HB H 1 1.3200 0.02 . 1 . . . A 11 ILE HB . 36056 1 86 . 1 1 11 11 ILE HG12 H 1 0.9980 0.02 . 1 . . . A 11 ILE HG12 . 36056 1 87 . 1 1 11 11 ILE HG13 H 1 1.5360 0.02 . 1 . . . A 11 ILE HG13 . 36056 1 88 . 1 1 11 11 ILE HG21 H 1 0.9160 0.02 . 1 . . . A 11 ILE HG21 . 36056 1 89 . 1 1 11 11 ILE HG22 H 1 0.9160 0.02 . 1 . . . A 11 ILE HG22 . 36056 1 90 . 1 1 11 11 ILE HG23 H 1 0.9160 0.02 . 1 . . . A 11 ILE HG23 . 36056 1 91 . 1 1 11 11 ILE HD11 H 1 0.5200 0.02 . 1 . . . A 11 ILE HD11 . 36056 1 92 . 1 1 11 11 ILE HD12 H 1 0.5200 0.02 . 1 . . . A 11 ILE HD12 . 36056 1 93 . 1 1 11 11 ILE HD13 H 1 0.5200 0.02 . 1 . . . A 11 ILE HD13 . 36056 1 94 . 1 1 11 11 ILE CA C 13 64.4200 0.3 . 1 . . . A 11 ILE CA . 36056 1 95 . 1 1 11 11 ILE CB C 13 38.3100 0.3 . 1 . . . A 11 ILE CB . 36056 1 96 . 1 1 11 11 ILE CG1 C 13 28.8000 0.3 . 1 . . . A 11 ILE CG1 . 36056 1 97 . 1 1 11 11 ILE CG2 C 13 17.1300 0.3 . 1 . . . A 11 ILE CG2 . 36056 1 98 . 1 1 11 11 ILE CD1 C 13 13.3900 0.3 . 1 . . . A 11 ILE CD1 . 36056 1 99 . 1 1 11 11 ILE N N 15 124.8500 0.2 . 1 . . . A 11 ILE N . 36056 1 100 . 1 1 12 12 GLY H H 1 9.0870 0.02 . 1 . . . A 12 GLY H . 36056 1 101 . 1 1 12 12 GLY HA2 H 1 3.7390 0.02 . 1 . . . A 12 GLY HA2 . 36056 1 102 . 1 1 12 12 GLY HA3 H 1 4.3020 0.02 . 1 . . . A 12 GLY HA3 . 36056 1 103 . 1 1 12 12 GLY CA C 13 45.3400 0.3 . 1 . . . A 12 GLY CA . 36056 1 104 . 1 1 12 12 GLY N N 15 117.0920 0.2 . 1 . . . A 12 GLY N . 36056 1 105 . 1 1 13 13 TYR H H 1 7.9290 0.02 . 1 . . . A 13 TYR H . 36056 1 106 . 1 1 13 13 TYR HA H 1 4.6330 0.02 . 1 . . . A 13 TYR HA . 36056 1 107 . 1 1 13 13 TYR HB2 H 1 2.8030 0.02 . 1 . . . A 13 TYR HB2 . 36056 1 108 . 1 1 13 13 TYR HB3 H 1 2.9120 0.02 . 1 . . . A 13 TYR HB3 . 36056 1 109 . 1 1 13 13 TYR HD1 H 1 6.9140 0.02 . 3 . . . A 13 TYR HD1 . 36056 1 110 . 1 1 13 13 TYR HD2 H 1 6.9140 0.02 . 3 . . . A 13 TYR HD2 . 36056 1 111 . 1 1 13 13 TYR HE1 H 1 6.4700 0.02 . 3 . . . A 13 TYR HE1 . 36056 1 112 . 1 1 13 13 TYR HE2 H 1 6.4700 0.02 . 3 . . . A 13 TYR HE2 . 36056 1 113 . 1 1 13 13 TYR CA C 13 58.1380 0.3 . 1 . . . A 13 TYR CA . 36056 1 114 . 1 1 13 13 TYR CB C 13 38.9200 0.3 . 1 . . . A 13 TYR CB . 36056 1 115 . 1 1 13 13 TYR CD1 C 13 133.2000 0.3 . 3 . . . A 13 TYR CD1 . 36056 1 116 . 1 1 13 13 TYR CD2 C 13 133.2000 0.3 . 3 . . . A 13 TYR CD2 . 36056 1 117 . 1 1 13 13 TYR CE1 C 13 117.8600 0.3 . 3 . . . A 13 TYR CE1 . 36056 1 118 . 1 1 13 13 TYR CE2 C 13 117.8600 0.3 . 3 . . . A 13 TYR CE2 . 36056 1 119 . 1 1 13 13 TYR N N 15 121.8600 0.2 . 1 . . . A 13 TYR N . 36056 1 120 . 1 1 14 14 SER H H 1 8.4290 0.02 . 1 . . . A 14 SER H . 36056 1 121 . 1 1 14 14 SER HA H 1 4.5220 0.02 . 1 . . . A 14 SER HA . 36056 1 122 . 1 1 14 14 SER HB2 H 1 3.7930 0.02 . 1 . . . A 14 SER HB2 . 36056 1 123 . 1 1 14 14 SER HB3 H 1 3.6230 0.02 . 1 . . . A 14 SER HB3 . 36056 1 124 . 1 1 14 14 SER CA C 13 57.0000 0.3 . 1 . . . A 14 SER CA . 36056 1 125 . 1 1 14 14 SER CB C 13 64.0500 0.3 . 1 . . . A 14 SER CB . 36056 1 126 . 1 1 14 14 SER N N 15 123.7190 0.2 . 1 . . . A 14 SER N . 36056 1 127 . 1 1 15 15 GLY H H 1 5.1330 0.02 . 1 . . . A 15 GLY H . 36056 1 128 . 1 1 15 15 GLY HA2 H 1 4.0540 0.02 . 1 . . . A 15 GLY HA2 . 36056 1 129 . 1 1 15 15 GLY HA3 H 1 3.6030 0.02 . 1 . . . A 15 GLY HA3 . 36056 1 130 . 1 1 15 15 GLY CA C 13 44.9400 0.3 . 1 . . . A 15 GLY CA . 36056 1 131 . 1 1 15 15 GLY N N 15 108.7890 0.2 . 1 . . . A 15 GLY N . 36056 1 132 . 1 1 16 16 PRO HA H 1 4.5200 0.02 . 1 . . . A 16 PRO HA . 36056 1 133 . 1 1 16 16 PRO HB2 H 1 1.9200 0.02 . 1 . . . A 16 PRO HB2 . 36056 1 134 . 1 1 16 16 PRO HB3 H 1 2.3720 0.02 . 1 . . . A 16 PRO HB3 . 36056 1 135 . 1 1 16 16 PRO HG2 H 1 2.0250 0.02 . 1 . . . A 16 PRO HG2 . 36056 1 136 . 1 1 16 16 PRO HG3 H 1 2.1020 0.02 . 1 . . . A 16 PRO HG3 . 36056 1 137 . 1 1 16 16 PRO HD2 H 1 3.5300 0.02 . 1 . . . A 16 PRO HD2 . 36056 1 138 . 1 1 16 16 PRO HD3 H 1 3.6740 0.02 . 1 . . . A 16 PRO HD3 . 36056 1 139 . 1 1 16 16 PRO CA C 13 63.3300 0.3 . 1 . . . A 16 PRO CA . 36056 1 140 . 1 1 16 16 PRO CB C 13 32.5800 0.3 . 1 . . . A 16 PRO CB . 36056 1 141 . 1 1 16 16 PRO CG C 13 27.6200 0.3 . 1 . . . A 16 PRO CG . 36056 1 142 . 1 1 16 16 PRO CD C 13 49.8300 0.3 . 1 . . . A 16 PRO CD . 36056 1 143 . 1 1 17 17 THR H H 1 8.5800 0.02 . 1 . . . A 17 THR H . 36056 1 144 . 1 1 17 17 THR HA H 1 4.7170 0.02 . 1 . . . A 17 THR HA . 36056 1 145 . 1 1 17 17 THR HB H 1 4.6300 0.02 . 1 . . . A 17 THR HB . 36056 1 146 . 1 1 17 17 THR HG21 H 1 1.3070 0.02 . 1 . . . A 17 THR HG21 . 36056 1 147 . 1 1 17 17 THR HG22 H 1 1.3070 0.02 . 1 . . . A 17 THR HG22 . 36056 1 148 . 1 1 17 17 THR HG23 H 1 1.3070 0.02 . 1 . . . A 17 THR HG23 . 36056 1 149 . 1 1 17 17 THR CA C 13 61.1000 0.3 . 1 . . . A 17 THR CA . 36056 1 150 . 1 1 17 17 THR CB C 13 70.0000 0.3 . 1 . . . A 17 THR CB . 36056 1 151 . 1 1 17 17 THR CG2 C 13 21.6980 0.3 . 1 . . . A 17 THR CG2 . 36056 1 152 . 1 1 17 17 THR N N 15 111.7400 0.2 . 1 . . . A 17 THR N . 36056 1 153 . 1 1 18 18 VAL H H 1 7.0840 0.02 . 1 . . . A 18 VAL H . 36056 1 154 . 1 1 18 18 VAL HA H 1 4.1320 0.02 . 1 . . . A 18 VAL HA . 36056 1 155 . 1 1 18 18 VAL HB H 1 2.0160 0.02 . 1 . . . A 18 VAL HB . 36056 1 156 . 1 1 18 18 VAL HG11 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG11 . 36056 1 157 . 1 1 18 18 VAL HG12 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG12 . 36056 1 158 . 1 1 18 18 VAL HG13 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG13 . 36056 1 159 . 1 1 18 18 VAL HG21 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG21 . 36056 1 160 . 1 1 18 18 VAL HG22 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG22 . 36056 1 161 . 1 1 18 18 VAL HG23 H 1 0.9620 0.02 . 1 . . . A 18 VAL HG23 . 36056 1 162 . 1 1 18 18 VAL CA C 13 61.9600 0.3 . 1 . . . A 18 VAL CA . 36056 1 163 . 1 1 18 18 VAL CB C 13 32.6900 0.3 . 1 . . . A 18 VAL CB . 36056 1 164 . 1 1 18 18 VAL CG1 C 13 21.1600 0.3 . 1 . . . A 18 VAL CG1 . 36056 1 165 . 1 1 18 18 VAL CG2 C 13 21.1600 0.3 . 1 . . . A 18 VAL CG2 . 36056 1 166 . 1 1 18 18 VAL N N 15 119.8100 0.2 . 1 . . . A 18 VAL N . 36056 1 167 . 1 1 19 19 CYS H H 1 8.6230 0.02 . 1 . . . A 19 CYS H . 36056 1 168 . 1 1 19 19 CYS HA H 1 4.7610 0.02 . 1 . . . A 19 CYS HA . 36056 1 169 . 1 1 19 19 CYS HB2 H 1 2.2850 0.02 . 1 . . . A 19 CYS HB2 . 36056 1 170 . 1 1 19 19 CYS HB3 H 1 3.6320 0.02 . 1 . . . A 19 CYS HB3 . 36056 1 171 . 1 1 19 19 CYS CA C 13 54.0900 0.3 . 1 . . . A 19 CYS CA . 36056 1 172 . 1 1 19 19 CYS CB C 13 39.6200 0.3 . 1 . . . A 19 CYS CB . 36056 1 173 . 1 1 19 19 CYS N N 15 125.3600 0.2 . 1 . . . A 19 CYS N . 36056 1 174 . 1 1 20 20 ALA H H 1 8.2240 0.02 . 1 . . . A 20 ALA H . 36056 1 175 . 1 1 20 20 ALA HA H 1 4.1730 0.02 . 1 . . . A 20 ALA HA . 36056 1 176 . 1 1 20 20 ALA HB1 H 1 1.3840 0.02 . 1 . . . A 20 ALA HB1 . 36056 1 177 . 1 1 20 20 ALA HB2 H 1 1.3840 0.02 . 1 . . . A 20 ALA HB2 . 36056 1 178 . 1 1 20 20 ALA HB3 H 1 1.3840 0.02 . 1 . . . A 20 ALA HB3 . 36056 1 179 . 1 1 20 20 ALA CA C 13 52.1900 0.3 . 1 . . . A 20 ALA CA . 36056 1 180 . 1 1 20 20 ALA CB C 13 19.4400 0.3 . 1 . . . A 20 ALA CB . 36056 1 181 . 1 1 20 20 ALA N N 15 124.5900 0.2 . 1 . . . A 20 ALA N . 36056 1 182 . 1 1 21 21 SER H H 1 8.5420 0.02 . 1 . . . A 21 SER H . 36056 1 183 . 1 1 21 21 SER HA H 1 4.2170 0.02 . 1 . . . A 21 SER HA . 36056 1 184 . 1 1 21 21 SER HB2 H 1 3.8810 0.02 . 1 . . . A 21 SER HB2 . 36056 1 185 . 1 1 21 21 SER HB3 H 1 3.8810 0.02 . 1 . . . A 21 SER HB3 . 36056 1 186 . 1 1 21 21 SER CA C 13 60.2000 0.3 . 1 . . . A 21 SER CA . 36056 1 187 . 1 1 21 21 SER CB C 13 62.9500 0.3 . 1 . . . A 21 SER CB . 36056 1 188 . 1 1 21 21 SER N N 15 115.4000 0.2 . 1 . . . A 21 SER N . 36056 1 189 . 1 1 22 22 GLY H H 1 8.9130 0.02 . 1 . . . A 22 GLY H . 36056 1 190 . 1 1 22 22 GLY HA2 H 1 3.6770 0.02 . 1 . . . A 22 GLY HA2 . 36056 1 191 . 1 1 22 22 GLY HA3 H 1 4.3850 0.02 . 1 . . . A 22 GLY HA3 . 36056 1 192 . 1 1 22 22 GLY CA C 13 44.9000 0.3 . 1 . . . A 22 GLY CA . 36056 1 193 . 1 1 22 22 GLY N N 15 114.0400 0.2 . 1 . . . A 22 GLY N . 36056 1 194 . 1 1 23 23 THR H H 1 8.1630 0.02 . 1 . . . A 23 THR H . 36056 1 195 . 1 1 23 23 THR HA H 1 4.8420 0.02 . 1 . . . A 23 THR HA . 36056 1 196 . 1 1 23 23 THR HB H 1 3.9460 0.02 . 1 . . . A 23 THR HB . 36056 1 197 . 1 1 23 23 THR HG21 H 1 0.9500 0.02 . 1 . . . A 23 THR HG21 . 36056 1 198 . 1 1 23 23 THR HG22 H 1 0.9500 0.02 . 1 . . . A 23 THR HG22 . 36056 1 199 . 1 1 23 23 THR HG23 H 1 0.9500 0.02 . 1 . . . A 23 THR HG23 . 36056 1 200 . 1 1 23 23 THR CA C 13 59.9000 0.3 . 1 . . . A 23 THR CA . 36056 1 201 . 1 1 23 23 THR CB C 13 72.7700 0.3 . 1 . . . A 23 THR CB . 36056 1 202 . 1 1 23 23 THR CG2 C 13 22.6500 0.3 . 1 . . . A 23 THR CG2 . 36056 1 203 . 1 1 23 23 THR N N 15 110.6400 0.2 . 1 . . . A 23 THR N . 36056 1 204 . 1 1 24 24 THR H H 1 9.3210 0.02 . 1 . . . A 24 THR H . 36056 1 205 . 1 1 24 24 THR HA H 1 4.5320 0.02 . 1 . . . A 24 THR HA . 36056 1 206 . 1 1 24 24 THR HB H 1 4.0360 0.02 . 1 . . . A 24 THR HB . 36056 1 207 . 1 1 24 24 THR HG21 H 1 1.1470 0.02 . 1 . . . A 24 THR HG21 . 36056 1 208 . 1 1 24 24 THR HG22 H 1 1.1470 0.02 . 1 . . . A 24 THR HG22 . 36056 1 209 . 1 1 24 24 THR HG23 H 1 1.1470 0.02 . 1 . . . A 24 THR HG23 . 36056 1 210 . 1 1 24 24 THR CA C 13 60.5000 0.3 . 1 . . . A 24 THR CA . 36056 1 211 . 1 1 24 24 THR CB C 13 72.4470 0.3 . 1 . . . A 24 THR CB . 36056 1 212 . 1 1 24 24 THR CG2 C 13 21.8900 0.3 . 1 . . . A 24 THR CG2 . 36056 1 213 . 1 1 24 24 THR N N 15 112.2600 0.2 . 1 . . . A 24 THR N . 36056 1 214 . 1 1 25 25 CYS H H 1 8.8440 0.02 . 1 . . . A 25 CYS H . 36056 1 215 . 1 1 25 25 CYS HA H 1 4.5530 0.02 . 1 . . . A 25 CYS HA . 36056 1 216 . 1 1 25 25 CYS HB2 H 1 3.1480 0.02 . 1 . . . A 25 CYS HB2 . 36056 1 217 . 1 1 25 25 CYS HB3 H 1 2.9200 0.02 . 1 . . . A 25 CYS HB3 . 36056 1 218 . 1 1 25 25 CYS CA C 13 56.1800 0.3 . 1 . . . A 25 CYS CA . 36056 1 219 . 1 1 25 25 CYS CB C 13 39.1000 0.3 . 1 . . . A 25 CYS CB . 36056 1 220 . 1 1 25 25 CYS N N 15 122.3100 0.2 . 1 . . . A 25 CYS N . 36056 1 221 . 1 1 26 26 GLN H H 1 9.0530 0.02 . 1 . . . A 26 GLN H . 36056 1 222 . 1 1 26 26 GLN HA H 1 4.6110 0.02 . 1 . . . A 26 GLN HA . 36056 1 223 . 1 1 26 26 GLN HB2 H 1 1.9290 0.02 . 1 . . . A 26 GLN HB2 . 36056 1 224 . 1 1 26 26 GLN HB3 H 1 2.0550 0.02 . 1 . . . A 26 GLN HB3 . 36056 1 225 . 1 1 26 26 GLN HG2 H 1 2.2640 0.02 . 2 . . . A 26 GLN HG2 . 36056 1 226 . 1 1 26 26 GLN HG3 H 1 2.4250 0.02 . 2 . . . A 26 GLN HG3 . 36056 1 227 . 1 1 26 26 GLN HE21 H 1 7.0620 0.02 . 1 . . . A 26 GLN HE21 . 36056 1 228 . 1 1 26 26 GLN HE22 H 1 6.7560 0.02 . 1 . . . A 26 GLN HE22 . 36056 1 229 . 1 1 26 26 GLN CA C 13 55.0300 0.3 . 1 . . . A 26 GLN CA . 36056 1 230 . 1 1 26 26 GLN CB C 13 30.3300 0.3 . 1 . . . A 26 GLN CB . 36056 1 231 . 1 1 26 26 GLN CG C 13 33.6300 0.3 . 1 . . . A 26 GLN CG . 36056 1 232 . 1 1 26 26 GLN N N 15 133.4000 0.2 . 1 . . . A 26 GLN N . 36056 1 233 . 1 1 26 26 GLN NE2 N 15 112.6100 0.2 . 1 . . . A 26 GLN NE2 . 36056 1 234 . 1 1 27 27 VAL H H 1 8.6420 0.02 . 1 . . . A 27 VAL H . 36056 1 235 . 1 1 27 27 VAL HA H 1 4.0500 0.02 . 1 . . . A 27 VAL HA . 36056 1 236 . 1 1 27 27 VAL HB H 1 1.9200 0.02 . 1 . . . A 27 VAL HB . 36056 1 237 . 1 1 27 27 VAL HG11 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG11 . 36056 1 238 . 1 1 27 27 VAL HG12 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG12 . 36056 1 239 . 1 1 27 27 VAL HG13 H 1 0.6740 0.02 . 1 . . . A 27 VAL HG13 . 36056 1 240 . 1 1 27 27 VAL HG21 H 1 0.9090 0.02 . 1 . . . A 27 VAL HG21 . 36056 1 241 . 1 1 27 27 VAL HG22 H 1 0.9090 0.02 . 1 . . . A 27 VAL HG22 . 36056 1 242 . 1 1 27 27 VAL HG23 H 1 0.9090 0.02 . 1 . . . A 27 VAL HG23 . 36056 1 243 . 1 1 27 27 VAL CA C 13 63.4500 0.3 . 1 . . . A 27 VAL CA . 36056 1 244 . 1 1 27 27 VAL CB C 13 32.7100 0.3 . 1 . . . A 27 VAL CB . 36056 1 245 . 1 1 27 27 VAL CG1 C 13 20.7800 0.3 . 1 . . . A 27 VAL CG1 . 36056 1 246 . 1 1 27 27 VAL CG2 C 13 20.9700 0.3 . 1 . . . A 27 VAL CG2 . 36056 1 247 . 1 1 27 27 VAL N N 15 125.6100 0.2 . 1 . . . A 27 VAL N . 36056 1 248 . 1 1 28 28 LEU H H 1 8.6250 0.02 . 1 . . . A 28 LEU H . 36056 1 249 . 1 1 28 28 LEU HA H 1 4.6750 0.02 . 1 . . . A 28 LEU HA . 36056 1 250 . 1 1 28 28 LEU HB2 H 1 1.8680 0.02 . 1 . . . A 28 LEU HB2 . 36056 1 251 . 1 1 28 28 LEU HB3 H 1 1.7900 0.02 . 1 . . . A 28 LEU HB3 . 36056 1 252 . 1 1 28 28 LEU HG H 1 1.7420 0.02 . 1 . . . A 28 LEU HG . 36056 1 253 . 1 1 28 28 LEU HD11 H 1 0.9520 0.02 . 2 . . . A 28 LEU HD11 . 36056 1 254 . 1 1 28 28 LEU HD12 H 1 0.9520 0.02 . 2 . . . A 28 LEU HD12 . 36056 1 255 . 1 1 28 28 LEU HD13 H 1 0.9520 0.02 . 2 . . . A 28 LEU HD13 . 36056 1 256 . 1 1 28 28 LEU HD21 H 1 0.8630 0.02 . 2 . . . A 28 LEU HD21 . 36056 1 257 . 1 1 28 28 LEU HD22 H 1 0.8630 0.02 . 2 . . . A 28 LEU HD22 . 36056 1 258 . 1 1 28 28 LEU HD23 H 1 0.8630 0.02 . 2 . . . A 28 LEU HD23 . 36056 1 259 . 1 1 28 28 LEU CA C 13 56.7000 0.3 . 1 . . . A 28 LEU CA . 36056 1 260 . 1 1 28 28 LEU CB C 13 42.5300 0.3 . 1 . . . A 28 LEU CB . 36056 1 261 . 1 1 28 28 LEU CG C 13 28.4800 0.3 . 1 . . . A 28 LEU CG . 36056 1 262 . 1 1 28 28 LEU CD1 C 13 25.0100 0.3 . 2 . . . A 28 LEU CD1 . 36056 1 263 . 1 1 28 28 LEU CD2 C 13 23.8000 0.3 . 2 . . . A 28 LEU CD2 . 36056 1 264 . 1 1 28 28 LEU N N 15 130.3000 0.2 . 1 . . . A 28 LEU N . 36056 1 265 . 1 1 29 29 ASN H H 1 8.6040 0.02 . 1 . . . A 29 ASN H . 36056 1 266 . 1 1 29 29 ASN HA H 1 4.8860 0.02 . 1 . . . A 29 ASN HA . 36056 1 267 . 1 1 29 29 ASN HB2 H 1 3.1710 0.02 . 1 . . . A 29 ASN HB2 . 36056 1 268 . 1 1 29 29 ASN HB3 H 1 3.1710 0.02 . 1 . . . A 29 ASN HB3 . 36056 1 269 . 1 1 29 29 ASN HD21 H 1 7.7670 0.02 . 1 . . . A 29 ASN HD21 . 36056 1 270 . 1 1 29 29 ASN HD22 H 1 7.0210 0.02 . 1 . . . A 29 ASN HD22 . 36056 1 271 . 1 1 29 29 ASN CA C 13 52.8000 0.3 . 1 . . . A 29 ASN CA . 36056 1 272 . 1 1 29 29 ASN CB C 13 37.5400 0.3 . 1 . . . A 29 ASN CB . 36056 1 273 . 1 1 29 29 ASN N N 15 115.5000 0.2 . 1 . . . A 29 ASN N . 36056 1 274 . 1 1 29 29 ASN ND2 N 15 115.4400 0.2 . 1 . . . A 29 ASN ND2 . 36056 1 275 . 1 1 30 30 PRO HA H 1 4.1920 0.02 . 1 . . . A 30 PRO HA . 36056 1 276 . 1 1 30 30 PRO HB2 H 1 1.2010 0.02 . 1 . . . A 30 PRO HB2 . 36056 1 277 . 1 1 30 30 PRO HB3 H 1 2.2460 0.02 . 1 . . . A 30 PRO HB3 . 36056 1 278 . 1 1 30 30 PRO HG2 H 1 2.0850 0.02 . 1 . . . A 30 PRO HG2 . 36056 1 279 . 1 1 30 30 PRO HG3 H 1 1.8940 0.02 . 1 . . . A 30 PRO HG3 . 36056 1 280 . 1 1 30 30 PRO HD2 H 1 3.7070 0.02 . 1 . . . A 30 PRO HD2 . 36056 1 281 . 1 1 30 30 PRO HD3 H 1 3.9090 0.02 . 1 . . . A 30 PRO HD3 . 36056 1 282 . 1 1 30 30 PRO CA C 13 65.9000 0.3 . 1 . . . A 30 PRO CA . 36056 1 283 . 1 1 30 30 PRO CB C 13 31.9900 0.3 . 1 . . . A 30 PRO CB . 36056 1 284 . 1 1 30 30 PRO CG C 13 28.2500 0.3 . 1 . . . A 30 PRO CG . 36056 1 285 . 1 1 30 30 PRO CD C 13 51.1780 0.3 . 1 . . . A 30 PRO CD . 36056 1 286 . 1 1 31 31 TYR H H 1 8.6190 0.02 . 1 . . . A 31 TYR H . 36056 1 287 . 1 1 31 31 TYR HA H 1 4.4230 0.02 . 1 . . . A 31 TYR HA . 36056 1 288 . 1 1 31 31 TYR HB2 H 1 2.9200 0.02 . 1 . . . A 31 TYR HB2 . 36056 1 289 . 1 1 31 31 TYR HB3 H 1 3.3710 0.02 . 1 . . . A 31 TYR HB3 . 36056 1 290 . 1 1 31 31 TYR HD1 H 1 7.1390 0.02 . 3 . . . A 31 TYR HD1 . 36056 1 291 . 1 1 31 31 TYR HD2 H 1 7.1390 0.02 . 3 . . . A 31 TYR HD2 . 36056 1 292 . 1 1 31 31 TYR HE1 H 1 6.8200 0.02 . 3 . . . A 31 TYR HE1 . 36056 1 293 . 1 1 31 31 TYR HE2 H 1 6.8200 0.02 . 3 . . . A 31 TYR HE2 . 36056 1 294 . 1 1 31 31 TYR CA C 13 58.4100 0.3 . 1 . . . A 31 TYR CA . 36056 1 295 . 1 1 31 31 TYR CB C 13 39.2500 0.3 . 1 . . . A 31 TYR CB . 36056 1 296 . 1 1 31 31 TYR CD1 C 13 133.5300 0.3 . 3 . . . A 31 TYR CD1 . 36056 1 297 . 1 1 31 31 TYR CD2 C 13 133.5300 0.3 . 3 . . . A 31 TYR CD2 . 36056 1 298 . 1 1 31 31 TYR CE1 C 13 118.1800 0.3 . 3 . . . A 31 TYR CE1 . 36056 1 299 . 1 1 31 31 TYR CE2 C 13 118.1800 0.3 . 3 . . . A 31 TYR CE2 . 36056 1 300 . 1 1 31 31 TYR N N 15 112.3700 0.2 . 1 . . . A 31 TYR N . 36056 1 301 . 1 1 32 32 TYR H H 1 7.9270 0.02 . 1 . . . A 32 TYR H . 36056 1 302 . 1 1 32 32 TYR HA H 1 4.6230 0.02 . 1 . . . A 32 TYR HA . 36056 1 303 . 1 1 32 32 TYR HB2 H 1 2.8300 0.02 . 1 . . . A 32 TYR HB2 . 36056 1 304 . 1 1 32 32 TYR HB3 H 1 2.8300 0.02 . 1 . . . A 32 TYR HB3 . 36056 1 305 . 1 1 32 32 TYR HD1 H 1 6.9580 0.02 . 3 . . . A 32 TYR HD1 . 36056 1 306 . 1 1 32 32 TYR HD2 H 1 6.9580 0.02 . 3 . . . A 32 TYR HD2 . 36056 1 307 . 1 1 32 32 TYR HE1 H 1 6.5850 0.02 . 3 . . . A 32 TYR HE1 . 36056 1 308 . 1 1 32 32 TYR HE2 H 1 6.5850 0.02 . 3 . . . A 32 TYR HE2 . 36056 1 309 . 1 1 32 32 TYR CA C 13 60.8400 0.3 . 1 . . . A 32 TYR CA . 36056 1 310 . 1 1 32 32 TYR CB C 13 42.7100 0.3 . 1 . . . A 32 TYR CB . 36056 1 311 . 1 1 32 32 TYR CD1 C 13 132.6800 0.3 . 3 . . . A 32 TYR CD1 . 36056 1 312 . 1 1 32 32 TYR CD2 C 13 132.6800 0.3 . 3 . . . A 32 TYR CD2 . 36056 1 313 . 1 1 32 32 TYR CE1 C 13 117.9100 0.3 . 3 . . . A 32 TYR CE1 . 36056 1 314 . 1 1 32 32 TYR CE2 C 13 117.9100 0.3 . 3 . . . A 32 TYR CE2 . 36056 1 315 . 1 1 32 32 TYR N N 15 124.4500 0.2 . 1 . . . A 32 TYR N . 36056 1 316 . 1 1 33 33 SER H H 1 6.7810 0.02 . 1 . . . A 33 SER H . 36056 1 317 . 1 1 33 33 SER HA H 1 5.1890 0.02 . 1 . . . A 33 SER HA . 36056 1 318 . 1 1 33 33 SER HB2 H 1 2.8550 0.02 . 1 . . . A 33 SER HB2 . 36056 1 319 . 1 1 33 33 SER HB3 H 1 3.5530 0.02 . 1 . . . A 33 SER HB3 . 36056 1 320 . 1 1 33 33 SER CA C 13 56.1760 0.3 . 1 . . . A 33 SER CA . 36056 1 321 . 1 1 33 33 SER CB C 13 65.8800 0.3 . 1 . . . A 33 SER CB . 36056 1 322 . 1 1 33 33 SER N N 15 124.3400 0.2 . 1 . . . A 33 SER N . 36056 1 323 . 1 1 34 34 GLN H H 1 9.0760 0.02 . 1 . . . A 34 GLN H . 36056 1 324 . 1 1 34 34 GLN HA H 1 4.8250 0.02 . 1 . . . A 34 GLN HA . 36056 1 325 . 1 1 34 34 GLN HB2 H 1 1.7080 0.02 . 1 . . . A 34 GLN HB2 . 36056 1 326 . 1 1 34 34 GLN HB3 H 1 1.7080 0.02 . 1 . . . A 34 GLN HB3 . 36056 1 327 . 1 1 34 34 GLN HG2 H 1 2.1360 0.02 . 1 . . . A 34 GLN HG2 . 36056 1 328 . 1 1 34 34 GLN HG3 H 1 2.1360 0.02 . 1 . . . A 34 GLN HG3 . 36056 1 329 . 1 1 34 34 GLN HE21 H 1 7.3940 0.02 . 1 . . . A 34 GLN HE21 . 36056 1 330 . 1 1 34 34 GLN HE22 H 1 6.8140 0.02 . 1 . . . A 34 GLN HE22 . 36056 1 331 . 1 1 34 34 GLN CA C 13 54.1900 0.3 . 1 . . . A 34 GLN CA . 36056 1 332 . 1 1 34 34 GLN CB C 13 34.1300 0.3 . 1 . . . A 34 GLN CB . 36056 1 333 . 1 1 34 34 GLN CG C 13 33.6400 0.3 . 1 . . . A 34 GLN CG . 36056 1 334 . 1 1 34 34 GLN N N 15 126.1200 0.2 . 1 . . . A 34 GLN N . 36056 1 335 . 1 1 34 34 GLN NE2 N 15 110.0900 0.2 . 1 . . . A 34 GLN NE2 . 36056 1 336 . 1 1 35 35 CYS H H 1 8.5380 0.02 . 1 . . . A 35 CYS H . 36056 1 337 . 1 1 35 35 CYS HA H 1 5.0200 0.02 . 1 . . . A 35 CYS HA . 36056 1 338 . 1 1 35 35 CYS HB2 H 1 2.8400 0.02 . 1 . . . A 35 CYS HB2 . 36056 1 339 . 1 1 35 35 CYS HB3 H 1 3.0740 0.02 . 1 . . . A 35 CYS HB3 . 36056 1 340 . 1 1 35 35 CYS CA C 13 54.0500 0.3 . 1 . . . A 35 CYS CA . 36056 1 341 . 1 1 35 35 CYS CB C 13 38.2000 0.3 . 1 . . . A 35 CYS CB . 36056 1 342 . 1 1 35 35 CYS N N 15 124.1500 0.2 . 1 . . . A 35 CYS N . 36056 1 343 . 1 1 36 36 LEU H H 1 9.0530 0.02 . 1 . . . A 36 LEU H . 36056 1 344 . 1 1 36 36 LEU HA H 1 4.4970 0.02 . 1 . . . A 36 LEU HA . 36056 1 345 . 1 1 36 36 LEU HB2 H 1 1.5580 0.02 . 1 . . . A 36 LEU HB2 . 36056 1 346 . 1 1 36 36 LEU HB3 H 1 1.5580 0.02 . 1 . . . A 36 LEU HB3 . 36056 1 347 . 1 1 36 36 LEU HG H 1 1.3670 0.02 . 1 . . . A 36 LEU HG . 36056 1 348 . 1 1 36 36 LEU HD11 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD11 . 36056 1 349 . 1 1 36 36 LEU HD12 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD12 . 36056 1 350 . 1 1 36 36 LEU HD13 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD13 . 36056 1 351 . 1 1 36 36 LEU HD21 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD21 . 36056 1 352 . 1 1 36 36 LEU HD22 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD22 . 36056 1 353 . 1 1 36 36 LEU HD23 H 1 0.8450 0.02 . 2 . . . A 36 LEU HD23 . 36056 1 354 . 1 1 36 36 LEU CA C 13 56.3000 0.3 . 1 . . . A 36 LEU CA . 36056 1 355 . 1 1 36 36 LEU CB C 13 47.3400 0.3 . 1 . . . A 36 LEU CB . 36056 1 356 . 1 1 36 36 LEU CG C 13 27.1900 0.3 . 1 . . . A 36 LEU CG . 36056 1 357 . 1 1 36 36 LEU CD1 C 13 25.7300 0.3 . 2 . . . A 36 LEU CD1 . 36056 1 358 . 1 1 36 36 LEU CD2 C 13 23.4200 0.3 . 2 . . . A 36 LEU CD2 . 36056 1 359 . 1 1 36 36 LEU N N 15 134.4500 0.2 . 1 . . . A 36 LEU N . 36056 1 360 . 2 2 1 1 MAN H1 H 1 4.8860 0.02 . 1 . . . A 101 MAN H1 . 36056 1 361 . 2 2 1 1 MAN H2 H 1 3.8680 0.02 . 1 . . . A 101 MAN H2 . 36056 1 362 . 2 2 1 1 MAN H3 H 1 3.8080 0.02 . 1 . . . A 101 MAN H3 . 36056 1 363 . 2 2 1 1 MAN H4 H 1 3.6590 0.02 . 1 . . . A 101 MAN H4 . 36056 1 364 . 2 2 1 1 MAN H5 H 1 3.6530 0.02 . 1 . . . A 101 MAN H5 . 36056 1 365 . 2 2 1 1 MAN H61 H 1 3.7730 0.02 . 2 . . . A 101 MAN H61 . 36056 1 366 . 2 2 1 1 MAN H62 H 1 3.9090 0.02 . 2 . . . A 101 MAN H62 . 36056 1 367 . 2 2 1 1 MAN C1 C 13 103.4500 0.3 . 1 . . . A 101 MAN C1 . 36056 1 368 . 2 2 1 1 MAN C2 C 13 72.8000 0.3 . 1 . . . A 101 MAN C2 . 36056 1 369 . 2 2 1 1 MAN C3 C 13 73.4490 0.3 . 1 . . . A 101 MAN C3 . 36056 1 370 . 2 2 1 1 MAN C4 C 13 69.7600 0.3 . 1 . . . A 101 MAN C4 . 36056 1 371 . 2 2 1 1 MAN C5 C 13 75.7920 0.3 . 1 . . . A 101 MAN C5 . 36056 1 372 . 2 2 1 1 MAN C6 C 13 63.8540 0.3 . 1 . . . A 101 MAN C6 . 36056 1 stop_ save_