################################### # 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 34072 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.04 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34072 1 2 '2D 1H-13C HSQC aliphatic' . . . 34072 1 3 '3D CBCA(CO)NH' . . . 34072 1 4 '3D HNCACB' . . . 34072 1 5 '3D HNCO' . . . 34072 1 6 '3D 1H-15N NOESY' . . . 34072 1 7 '3D 1H-13C NOESY aliphatic' . . . 34072 1 8 '3D HN(CA)CO' . . . 34072 1 9 '3D HCCH-TOCSY' . . . 34072 1 10 '113Cd-1H HSQC' . . . 34072 1 11 113Cd-HSQC-TOCSY . . . 34072 1 12 '3D HBHA(CO)NH' . . . 34072 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.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 5 5 SER HA H 1 4.515 0.005 . 1 . . . . A 5 SER HA . 34072 1 2 . 1 1 5 5 SER HB2 H 1 3.816 0.005 . 2 . . . . A 5 SER HB2 . 34072 1 3 . 1 1 5 5 SER HB3 H 1 3.902 0.005 . 2 . . . . A 5 SER HB3 . 34072 1 4 . 1 1 5 5 SER CA C 13 58.228 0.02 . 1 . . . . A 5 SER CA . 34072 1 5 . 1 1 5 5 SER CB C 13 63.745 0.02 . 1 . . . . A 5 SER CB . 34072 1 6 . 1 1 6 6 VAL H H 1 7.881 0.005 . 1 . . . . A 6 VAL H . 34072 1 7 . 1 1 6 6 VAL HA H 1 4.031 0.005 . 1 . . . . A 6 VAL HA . 34072 1 8 . 1 1 6 6 VAL HB H 1 1.86 0.005 . 1 . . . . A 6 VAL HB . 34072 1 9 . 1 1 6 6 VAL HG11 H 1 0.736 0.005 . 2 . . . . A 6 VAL MG1 . 34072 1 10 . 1 1 6 6 VAL HG12 H 1 0.736 0.005 . 2 . . . . A 6 VAL MG1 . 34072 1 11 . 1 1 6 6 VAL HG13 H 1 0.736 0.005 . 2 . . . . A 6 VAL MG1 . 34072 1 12 . 1 1 6 6 VAL HG21 H 1 0.759 0.005 . 2 . . . . A 6 VAL MG2 . 34072 1 13 . 1 1 6 6 VAL HG22 H 1 0.759 0.005 . 2 . . . . A 6 VAL MG2 . 34072 1 14 . 1 1 6 6 VAL HG23 H 1 0.759 0.005 . 2 . . . . A 6 VAL MG2 . 34072 1 15 . 1 1 6 6 VAL CA C 13 62.259 0.02 . 1 . . . . A 6 VAL CA . 34072 1 16 . 1 1 6 6 VAL CB C 13 32.625 0.02 . 1 . . . . A 6 VAL CB . 34072 1 17 . 1 1 6 6 VAL CG1 C 13 19.886 0.02 . 2 . . . . A 6 VAL CG1 . 34072 1 18 . 1 1 6 6 VAL CG2 C 13 20.957 0.02 . 2 . . . . A 6 VAL CG2 . 34072 1 19 . 1 1 6 6 VAL N N 15 120.898 0.04 . 1 . . . . A 6 VAL N . 34072 1 20 . 1 1 7 7 PHE H H 1 8.048 0.005 . 1 . . . . A 7 PHE H . 34072 1 21 . 1 1 7 7 PHE HA H 1 5.097 0.005 . 1 . . . . A 7 PHE HA . 34072 1 22 . 1 1 7 7 PHE HB2 H 1 2.84 0.005 . 2 . . . . A 7 PHE HB2 . 34072 1 23 . 1 1 7 7 PHE HB3 H 1 3.286 0.005 . 2 . . . . A 7 PHE HB3 . 34072 1 24 . 1 1 7 7 PHE CA C 13 56.794 0.02 . 1 . . . . A 7 PHE CA . 34072 1 25 . 1 1 7 7 PHE CB C 13 40.923 0.02 . 1 . . . . A 7 PHE CB . 34072 1 26 . 1 1 7 7 PHE N N 15 120.132 0.04 . 1 . . . . A 7 PHE N . 34072 1 27 . 1 1 8 8 GLY H H 1 8.902 0.005 . 1 . . . . A 8 GLY H . 34072 1 28 . 1 1 8 8 GLY HA2 H 1 3.882 0.005 . 2 . . . . A 8 GLY HA2 . 34072 1 29 . 1 1 8 8 GLY HA3 H 1 4.197 0.005 . 2 . . . . A 8 GLY HA3 . 34072 1 30 . 1 1 8 8 GLY CA C 13 44.365 0.02 . 1 . . . . A 8 GLY CA . 34072 1 31 . 1 1 8 8 GLY N N 15 111.565 0.04 . 1 . . . . A 8 GLY N . 34072 1 32 . 1 1 9 9 ALA H H 1 8.664 0.005 . 1 . . . . A 9 ALA H . 34072 1 33 . 1 1 9 9 ALA HA H 1 4.15 0.005 . 1 . . . . A 9 ALA HA . 34072 1 34 . 1 1 9 9 ALA HB1 H 1 1.471 0.005 . 1 . . . . A 9 ALA MB . 34072 1 35 . 1 1 9 9 ALA HB2 H 1 1.471 0.005 . 1 . . . . A 9 ALA MB . 34072 1 36 . 1 1 9 9 ALA HB3 H 1 1.471 0.005 . 1 . . . . A 9 ALA MB . 34072 1 37 . 1 1 9 9 ALA CA C 13 54.46 0.02 . 1 . . . . A 9 ALA CA . 34072 1 38 . 1 1 9 9 ALA CB C 13 17.881 0.02 . 1 . . . . A 9 ALA CB . 34072 1 39 . 1 1 9 9 ALA N N 15 125.698 0.04 . 1 . . . . A 9 ALA N . 34072 1 40 . 1 1 10 10 GLY H H 1 9.55 0.005 . 1 . . . . A 10 GLY H . 34072 1 41 . 1 1 10 10 GLY HA2 H 1 4.141 0.005 . 2 . . . . A 10 GLY HA2 . 34072 1 42 . 1 1 10 10 GLY HA3 H 1 4.141 0.005 . 2 . . . . A 10 GLY HA3 . 34072 1 43 . 1 1 10 10 GLY CA C 13 44.782 0.02 . 1 . . . . A 10 GLY CA . 34072 1 44 . 1 1 10 10 GLY N N 15 107.543 0.04 . 1 . . . . A 10 GLY N . 34072 1 45 . 1 1 11 11 CYS H H 1 7.291 0.005 . 1 . . . . A 11 CYS H . 34072 1 46 . 1 1 11 11 CYS HA H 1 4.672 0.005 . 1 . . . . A 11 CYS HA . 34072 1 47 . 1 1 11 11 CYS HB2 H 1 2.991 0.005 . 2 . . . . A 11 CYS HB2 . 34072 1 48 . 1 1 11 11 CYS HB3 H 1 3.105 0.005 . 2 . . . . A 11 CYS HB3 . 34072 1 49 . 1 1 11 11 CYS CA C 13 64.234 0.02 . 1 . . . . A 11 CYS CA . 34072 1 50 . 1 1 11 11 CYS CB C 13 30.745 0.02 . 1 . . . . A 11 CYS CB . 34072 1 51 . 1 1 11 11 CYS N N 15 119.906 0.04 . 1 . . . . A 11 CYS N . 34072 1 52 . 1 1 12 12 THR H H 1 7.204 0.005 . 1 . . . . A 12 THR H . 34072 1 53 . 1 1 12 12 THR HA H 1 4.299 0.005 . 1 . . . . A 12 THR HA . 34072 1 54 . 1 1 12 12 THR HB H 1 4.772 0.005 . 1 . . . . A 12 THR HB . 34072 1 55 . 1 1 12 12 THR HG21 H 1 1.343 0.005 . 1 . . . . A 12 THR MG . 34072 1 56 . 1 1 12 12 THR HG22 H 1 1.343 0.005 . 1 . . . . A 12 THR MG . 34072 1 57 . 1 1 12 12 THR HG23 H 1 1.343 0.005 . 1 . . . . A 12 THR MG . 34072 1 58 . 1 1 12 12 THR CA C 13 59.763 0.02 . 1 . . . . A 12 THR CA . 34072 1 59 . 1 1 12 12 THR CB C 13 71.279 0.02 . 1 . . . . A 12 THR CB . 34072 1 60 . 1 1 12 12 THR CG2 C 13 22.536 0.02 . 1 . . . . A 12 THR CG2 . 34072 1 61 . 1 1 12 12 THR N N 15 113.625 0.04 . 1 . . . . A 12 THR N . 34072 1 62 . 1 1 13 13 ASP H H 1 8.796 0.005 . 1 . . . . A 13 ASP H . 34072 1 63 . 1 1 13 13 ASP HA H 1 4.172 0.005 . 1 . . . . A 13 ASP HA . 34072 1 64 . 1 1 13 13 ASP HB2 H 1 2.586 0.005 . 2 . . . . A 13 ASP HB2 . 34072 1 65 . 1 1 13 13 ASP HB3 H 1 2.667 0.005 . 2 . . . . A 13 ASP HB3 . 34072 1 66 . 1 1 13 13 ASP CA C 13 56.97 0.02 . 1 . . . . A 13 ASP CA . 34072 1 67 . 1 1 13 13 ASP CB C 13 39.375 0.02 . 1 . . . . A 13 ASP CB . 34072 1 68 . 1 1 13 13 ASP N N 15 118.809 0.04 . 1 . . . . A 13 ASP N . 34072 1 69 . 1 1 14 14 VAL H H 1 7.143 0.005 . 1 . . . . A 14 VAL H . 34072 1 70 . 1 1 14 14 VAL HA H 1 3.716 0.005 . 1 . . . . A 14 VAL HA . 34072 1 71 . 1 1 14 14 VAL HB H 1 1.923 0.005 . 1 . . . . A 14 VAL HB . 34072 1 72 . 1 1 14 14 VAL HG11 H 1 0.932 0.005 . 2 . . . . A 14 VAL MG1 . 34072 1 73 . 1 1 14 14 VAL HG12 H 1 0.932 0.005 . 2 . . . . A 14 VAL MG1 . 34072 1 74 . 1 1 14 14 VAL HG13 H 1 0.932 0.005 . 2 . . . . A 14 VAL MG1 . 34072 1 75 . 1 1 14 14 VAL HG21 H 1 1.031 0.005 . 2 . . . . A 14 VAL MG2 . 34072 1 76 . 1 1 14 14 VAL HG22 H 1 1.031 0.005 . 2 . . . . A 14 VAL MG2 . 34072 1 77 . 1 1 14 14 VAL HG23 H 1 1.031 0.005 . 2 . . . . A 14 VAL MG2 . 34072 1 78 . 1 1 14 14 VAL CA C 13 65.379 0.02 . 1 . . . . A 14 VAL CA . 34072 1 79 . 1 1 14 14 VAL CB C 13 32.204 0.02 . 1 . . . . A 14 VAL CB . 34072 1 80 . 1 1 14 14 VAL CG1 C 13 21.492 0.02 . 2 . . . . A 14 VAL CG1 . 34072 1 81 . 1 1 14 14 VAL CG2 C 13 22.027 0.02 . 2 . . . . A 14 VAL CG2 . 34072 1 82 . 1 1 14 14 VAL N N 15 117.761 0.04 . 1 . . . . A 14 VAL N . 34072 1 83 . 1 1 15 15 CYS H H 1 7.469 0.005 . 1 . . . . A 15 CYS H . 34072 1 84 . 1 1 15 15 CYS HA H 1 5.608 0.005 . 1 . . . . A 15 CYS HA . 34072 1 85 . 1 1 15 15 CYS HB2 H 1 2.792 0.005 . 2 . . . . A 15 CYS HB2 . 34072 1 86 . 1 1 15 15 CYS HB3 H 1 3.176 0.005 . 2 . . . . A 15 CYS HB3 . 34072 1 87 . 1 1 15 15 CYS CA C 13 60.728 0.02 . 1 . . . . A 15 CYS CA . 34072 1 88 . 1 1 15 15 CYS CB C 13 31.209 0.02 . 1 . . . . A 15 CYS CB . 34072 1 89 . 1 1 15 15 CYS N N 15 125.682 0.04 . 1 . . . . A 15 CYS N . 34072 1 90 . 1 1 16 16 LYS H H 1 6.811 0.005 . 1 . . . . A 16 LYS H . 34072 1 91 . 1 1 16 16 LYS HA H 1 3.871 0.005 . 1 . . . . A 16 LYS HA . 34072 1 92 . 1 1 16 16 LYS HB2 H 1 1.323 0.005 . 2 . . . . A 16 LYS HB2 . 34072 1 93 . 1 1 16 16 LYS HB3 H 1 1.633 0.005 . 2 . . . . A 16 LYS HB3 . 34072 1 94 . 1 1 16 16 LYS HG2 H 1 -0.409 0.005 . 2 . . . . A 16 LYS HG2 . 34072 1 95 . 1 1 16 16 LYS HG3 H 1 0.993 0.005 . 2 . . . . A 16 LYS HG3 . 34072 1 96 . 1 1 16 16 LYS HD2 H 1 1.176 0.005 . 2 . . . . A 16 LYS HD2 . 34072 1 97 . 1 1 16 16 LYS HD3 H 1 1.243 0.005 . 2 . . . . A 16 LYS HD3 . 34072 1 98 . 1 1 16 16 LYS HE2 H 1 2.373 0.005 . 2 . . . . A 16 LYS HE2 . 34072 1 99 . 1 1 16 16 LYS HE3 H 1 2.373 0.005 . 2 . . . . A 16 LYS HE3 . 34072 1 100 . 1 1 16 16 LYS CA C 13 56.26 0.02 . 1 . . . . A 16 LYS CA . 34072 1 101 . 1 1 16 16 LYS CB C 13 32.818 0.02 . 1 . . . . A 16 LYS CB . 34072 1 102 . 1 1 16 16 LYS CG C 13 24.429 0.02 . 1 . . . . A 16 LYS CG . 34072 1 103 . 1 1 16 16 LYS CD C 13 29.604 0.02 . 1 . . . . A 16 LYS CD . 34072 1 104 . 1 1 16 16 LYS CE C 13 42.151 0.02 . 1 . . . . A 16 LYS CE . 34072 1 105 . 1 1 16 16 LYS N N 15 111.748 0.04 . 1 . . . . A 16 LYS N . 34072 1 106 . 1 1 17 17 GLN H H 1 7.125 0.005 . 1 . . . . A 17 GLN H . 34072 1 107 . 1 1 17 17 GLN HA H 1 4.107 0.005 . 1 . . . . A 17 GLN HA . 34072 1 108 . 1 1 17 17 GLN HB2 H 1 2.08 0.005 . 2 . . . . A 17 GLN HB2 . 34072 1 109 . 1 1 17 17 GLN HB3 H 1 2.177 0.005 . 2 . . . . A 17 GLN HB3 . 34072 1 110 . 1 1 17 17 GLN HG2 H 1 2.489 0.005 . 2 . . . . A 17 GLN HG2 . 34072 1 111 . 1 1 17 17 GLN HG3 H 1 2.936 0.005 . 2 . . . . A 17 GLN HG3 . 34072 1 112 . 1 1 17 17 GLN HE21 H 1 6.884 0.005 . 2 . . . . A 17 GLN HE21 . 34072 1 113 . 1 1 17 17 GLN HE22 H 1 7.511 0.005 . 2 . . . . A 17 GLN HE22 . 34072 1 114 . 1 1 17 17 GLN CA C 13 56.097 0.02 . 1 . . . . A 17 GLN CA . 34072 1 115 . 1 1 17 17 GLN CB C 13 29.495 0.02 . 1 . . . . A 17 GLN CB . 34072 1 116 . 1 1 17 17 GLN CG C 13 34.323 0.02 . 1 . . . . A 17 GLN CG . 34072 1 117 . 1 1 17 17 GLN N N 15 119.614 0.04 . 1 . . . . A 17 GLN N . 34072 1 118 . 1 1 17 17 GLN NE2 N 15 110.339 0.04 . 1 . . . . A 17 GLN NE2 . 34072 1 119 . 1 1 18 18 THR H H 1 8.24 0.005 . 1 . . . . A 18 THR H . 34072 1 120 . 1 1 18 18 THR HA H 1 4.652 0.005 . 1 . . . . A 18 THR HA . 34072 1 121 . 1 1 18 18 THR HB H 1 4.071 0.005 . 1 . . . . A 18 THR HB . 34072 1 122 . 1 1 18 18 THR HG21 H 1 1.189 0.005 . 1 . . . . A 18 THR MG . 34072 1 123 . 1 1 18 18 THR HG22 H 1 1.189 0.005 . 1 . . . . A 18 THR MG . 34072 1 124 . 1 1 18 18 THR HG23 H 1 1.189 0.005 . 1 . . . . A 18 THR MG . 34072 1 125 . 1 1 18 18 THR CA C 13 58.001 0.02 . 1 . . . . A 18 THR CA . 34072 1 126 . 1 1 18 18 THR CB C 13 70.327 0.02 . 1 . . . . A 18 THR CB . 34072 1 127 . 1 1 18 18 THR CG2 C 13 20.673 0.02 . 1 . . . . A 18 THR CG2 . 34072 1 128 . 1 1 18 18 THR N N 15 112.899 0.04 . 1 . . . . A 18 THR N . 34072 1 129 . 1 1 19 19 PRO HA H 1 4.947 0.005 . 1 . . . . A 19 PRO HA . 34072 1 130 . 1 1 19 19 PRO HB2 H 1 2.213 0.005 . 2 . . . . A 19 PRO HB2 . 34072 1 131 . 1 1 19 19 PRO HB3 H 1 2.385 0.005 . 2 . . . . A 19 PRO HB3 . 34072 1 132 . 1 1 19 19 PRO HG2 H 1 1.715 0.005 . 2 . . . . A 19 PRO HG2 . 34072 1 133 . 1 1 19 19 PRO HG3 H 1 1.976 0.005 . 2 . . . . A 19 PRO HG3 . 34072 1 134 . 1 1 19 19 PRO HD2 H 1 3.46 0.005 . 2 . . . . A 19 PRO HD2 . 34072 1 135 . 1 1 19 19 PRO HD3 H 1 3.54 0.005 . 2 . . . . A 19 PRO HD3 . 34072 1 136 . 1 1 19 19 PRO CA C 13 63.408 0.02 . 1 . . . . A 19 PRO CA . 34072 1 137 . 1 1 19 19 PRO CB C 13 34.552 0.02 . 1 . . . . A 19 PRO CB . 34072 1 138 . 1 1 19 19 PRO CG C 13 24.45 0.02 . 1 . . . . A 19 PRO CG . 34072 1 139 . 1 1 19 19 PRO CD C 13 49.275 0.02 . 1 . . . . A 19 PRO CD . 34072 1 140 . 1 1 20 20 CYS H H 1 8.231 0.005 . 1 . . . . A 20 CYS H . 34072 1 141 . 1 1 20 20 CYS HA H 1 4.212 0.005 . 1 . . . . A 20 CYS HA . 34072 1 142 . 1 1 20 20 CYS HB2 H 1 2.822 0.005 . 2 . . . . A 20 CYS HB2 . 34072 1 143 . 1 1 20 20 CYS HB3 H 1 3.354 0.005 . 2 . . . . A 20 CYS HB3 . 34072 1 144 . 1 1 20 20 CYS CA C 13 61.403 0.02 . 1 . . . . A 20 CYS CA . 34072 1 145 . 1 1 20 20 CYS CB C 13 29.834 0.02 . 1 . . . . A 20 CYS CB . 34072 1 146 . 1 1 20 20 CYS N N 15 120.44 0.04 . 1 . . . . A 20 CYS N . 34072 1 147 . 1 1 21 21 GLY H H 1 8.408 0.005 . 1 . . . . A 21 GLY H . 34072 1 148 . 1 1 21 21 GLY HA2 H 1 3.71 0.005 . 2 . . . . A 21 GLY HA2 . 34072 1 149 . 1 1 21 21 GLY HA3 H 1 4.452 0.005 . 2 . . . . A 21 GLY HA3 . 34072 1 150 . 1 1 21 21 GLY CA C 13 46.199 0.02 . 1 . . . . A 21 GLY CA . 34072 1 151 . 1 1 21 21 GLY N N 15 116.604 0.04 . 1 . . . . A 21 GLY N . 34072 1 152 . 1 1 22 22 CYS H H 1 9.511 0.005 . 1 . . . . A 22 CYS H . 34072 1 153 . 1 1 22 22 CYS HA H 1 3.771 0.005 . 1 . . . . A 22 CYS HA . 34072 1 154 . 1 1 22 22 CYS HB2 H 1 2.85 0.005 . 2 . . . . A 22 CYS HB2 . 34072 1 155 . 1 1 22 22 CYS HB3 H 1 2.901 0.005 . 2 . . . . A 22 CYS HB3 . 34072 1 156 . 1 1 22 22 CYS CA C 13 63.836 0.02 . 1 . . . . A 22 CYS CA . 34072 1 157 . 1 1 22 22 CYS CB C 13 29.645 0.02 . 1 . . . . A 22 CYS CB . 34072 1 158 . 1 1 22 22 CYS N N 15 127.079 0.04 . 1 . . . . A 22 CYS N . 34072 1 159 . 1 1 23 23 ALA H H 1 8.108 0.005 . 1 . . . . A 23 ALA H . 34072 1 160 . 1 1 23 23 ALA HA H 1 4.071 0.005 . 1 . . . . A 23 ALA HA . 34072 1 161 . 1 1 23 23 ALA HB1 H 1 1.462 0.005 . 1 . . . . A 23 ALA MB . 34072 1 162 . 1 1 23 23 ALA HB2 H 1 1.462 0.005 . 1 . . . . A 23 ALA MB . 34072 1 163 . 1 1 23 23 ALA HB3 H 1 1.462 0.005 . 1 . . . . A 23 ALA MB . 34072 1 164 . 1 1 23 23 ALA CA C 13 54.774 0.02 . 1 . . . . A 23 ALA CA . 34072 1 165 . 1 1 23 23 ALA CB C 13 18.089 0.02 . 1 . . . . A 23 ALA CB . 34072 1 166 . 1 1 23 23 ALA N N 15 119.963 0.04 . 1 . . . . A 23 ALA N . 34072 1 167 . 1 1 24 24 THR H H 1 7.525 0.005 . 1 . . . . A 24 THR H . 34072 1 168 . 1 1 24 24 THR HA H 1 4.263 0.005 . 1 . . . . A 24 THR HA . 34072 1 169 . 1 1 24 24 THR HB H 1 4.259 0.005 . 1 . . . . A 24 THR HB . 34072 1 170 . 1 1 24 24 THR HG21 H 1 1.237 0.005 . 1 . . . . A 24 THR MG . 34072 1 171 . 1 1 24 24 THR HG22 H 1 1.237 0.005 . 1 . . . . A 24 THR MG . 34072 1 172 . 1 1 24 24 THR HG23 H 1 1.237 0.005 . 1 . . . . A 24 THR MG . 34072 1 173 . 1 1 24 24 THR CA C 13 63.739 0.02 . 1 . . . . A 24 THR CA . 34072 1 174 . 1 1 24 24 THR CB C 13 69.041 0.02 . 1 . . . . A 24 THR CB . 34072 1 175 . 1 1 24 24 THR CG2 C 13 21.685 0.02 . 1 . . . . A 24 THR CG2 . 34072 1 176 . 1 1 24 24 THR N N 15 108.951 0.04 . 1 . . . . A 24 THR N . 34072 1 177 . 1 1 25 25 SER H H 1 7.831 0.005 . 1 . . . . A 25 SER H . 34072 1 178 . 1 1 25 25 SER HA H 1 4.637 0.005 . 1 . . . . A 25 SER HA . 34072 1 179 . 1 1 25 25 SER HB2 H 1 3.856 0.005 . 2 . . . . A 25 SER HB2 . 34072 1 180 . 1 1 25 25 SER HB3 H 1 3.924 0.005 . 2 . . . . A 25 SER HB3 . 34072 1 181 . 1 1 25 25 SER CA C 13 59.21 0.02 . 1 . . . . A 25 SER CA . 34072 1 182 . 1 1 25 25 SER CB C 13 64.396 0.02 . 1 . . . . A 25 SER CB . 34072 1 183 . 1 1 25 25 SER N N 15 113.933 0.04 . 1 . . . . A 25 SER N . 34072 1 184 . 1 1 26 26 GLY H H 1 8.02 0.005 . 1 . . . . A 26 GLY H . 34072 1 185 . 1 1 26 26 GLY HA2 H 1 3.589 0.005 . 2 . . . . A 26 GLY HA2 . 34072 1 186 . 1 1 26 26 GLY HA3 H 1 4.415 0.005 . 2 . . . . A 26 GLY HA3 . 34072 1 187 . 1 1 26 26 GLY CA C 13 44.296 0.02 . 1 . . . . A 26 GLY CA . 34072 1 188 . 1 1 26 26 GLY N N 15 113.272 0.04 . 1 . . . . A 26 GLY N . 34072 1 189 . 1 1 27 27 CYS H H 1 8.443 0.005 . 1 . . . . A 27 CYS H . 34072 1 190 . 1 1 27 27 CYS HA H 1 4.942 0.005 . 1 . . . . A 27 CYS HA . 34072 1 191 . 1 1 27 27 CYS HB2 H 1 2.992 0.005 . 2 . . . . A 27 CYS HB2 . 34072 1 192 . 1 1 27 27 CYS HB3 H 1 3.042 0.005 . 2 . . . . A 27 CYS HB3 . 34072 1 193 . 1 1 27 27 CYS CA C 13 59.767 0.02 . 1 . . . . A 27 CYS CA . 34072 1 194 . 1 1 27 27 CYS CB C 13 30.525 0.02 . 1 . . . . A 27 CYS CB . 34072 1 195 . 1 1 27 27 CYS N N 15 123.822 0.04 . 1 . . . . A 27 CYS N . 34072 1 196 . 1 1 28 28 ASN H H 1 9.341 0.005 . 1 . . . . A 28 ASN H . 34072 1 197 . 1 1 28 28 ASN HA H 1 5.294 0.005 . 1 . . . . A 28 ASN HA . 34072 1 198 . 1 1 28 28 ASN HB2 H 1 2.429 0.005 . 2 . . . . A 28 ASN HB2 . 34072 1 199 . 1 1 28 28 ASN HB3 H 1 3.143 0.005 . 2 . . . . A 28 ASN HB3 . 34072 1 200 . 1 1 28 28 ASN HD21 H 1 7.006 0.005 . 2 . . . . A 28 ASN HD21 . 34072 1 201 . 1 1 28 28 ASN HD22 H 1 7.63 0.005 . 2 . . . . A 28 ASN HD22 . 34072 1 202 . 1 1 28 28 ASN CA C 13 52.604 0.02 . 1 . . . . A 28 ASN CA . 34072 1 203 . 1 1 28 28 ASN CB C 13 39.885 0.02 . 1 . . . . A 28 ASN CB . 34072 1 204 . 1 1 28 28 ASN N N 15 129.924 0.04 . 1 . . . . A 28 ASN N . 34072 1 205 . 1 1 28 28 ASN ND2 N 15 113.532 0.04 . 1 . . . . A 28 ASN ND2 . 34072 1 206 . 1 1 29 29 CYS H H 1 8.824 0.005 . 1 . . . . A 29 CYS H . 34072 1 207 . 1 1 29 29 CYS HA H 1 4.518 0.005 . 1 . . . . A 29 CYS HA . 34072 1 208 . 1 1 29 29 CYS HB2 H 1 3.078 0.005 . 2 . . . . A 29 CYS HB2 . 34072 1 209 . 1 1 29 29 CYS HB3 H 1 3.646 0.005 . 2 . . . . A 29 CYS HB3 . 34072 1 210 . 1 1 29 29 CYS CA C 13 60.736 0.02 . 1 . . . . A 29 CYS CA . 34072 1 211 . 1 1 29 29 CYS CB C 13 29.731 0.02 . 1 . . . . A 29 CYS CB . 34072 1 212 . 1 1 29 29 CYS N N 15 121.831 0.04 . 1 . . . . A 29 CYS N . 34072 1 213 . 1 1 30 30 THR H H 1 8.637 0.005 . 1 . . . . A 30 THR H . 34072 1 214 . 1 1 30 30 THR HA H 1 4.793 0.005 . 1 . . . . A 30 THR HA . 34072 1 215 . 1 1 30 30 THR HB H 1 4.596 0.005 . 1 . . . . A 30 THR HB . 34072 1 216 . 1 1 30 30 THR HG21 H 1 1.269 0.005 . 1 . . . . A 30 THR MG . 34072 1 217 . 1 1 30 30 THR HG22 H 1 1.269 0.005 . 1 . . . . A 30 THR MG . 34072 1 218 . 1 1 30 30 THR HG23 H 1 1.269 0.005 . 1 . . . . A 30 THR MG . 34072 1 219 . 1 1 30 30 THR CA C 13 60.04 0.02 . 1 . . . . A 30 THR CA . 34072 1 220 . 1 1 30 30 THR CB C 13 69.488 0.02 . 1 . . . . A 30 THR CB . 34072 1 221 . 1 1 30 30 THR CG2 C 13 21.479 0.02 . 1 . . . . A 30 THR CG2 . 34072 1 222 . 1 1 30 30 THR N N 15 112.478 0.04 . 1 . . . . A 30 THR N . 34072 1 223 . 1 1 31 31 ASP H H 1 8.465 0.005 . 1 . . . . A 31 ASP H . 34072 1 224 . 1 1 31 31 ASP HA H 1 4.381 0.005 . 1 . . . . A 31 ASP HA . 34072 1 225 . 1 1 31 31 ASP HB2 H 1 2.724 0.005 . 2 . . . . A 31 ASP HB2 . 34072 1 226 . 1 1 31 31 ASP HB3 H 1 2.757 0.005 . 2 . . . . A 31 ASP HB3 . 34072 1 227 . 1 1 31 31 ASP CA C 13 55.984 0.02 . 1 . . . . A 31 ASP CA . 34072 1 228 . 1 1 31 31 ASP CB C 13 40.418 0.02 . 1 . . . . A 31 ASP CB . 34072 1 229 . 1 1 31 31 ASP N N 15 117.271 0.04 . 1 . . . . A 31 ASP N . 34072 1 230 . 1 1 32 32 ASP H H 1 7.695 0.005 . 1 . . . . A 32 ASP H . 34072 1 231 . 1 1 32 32 ASP HA H 1 4.538 0.005 . 1 . . . . A 32 ASP HA . 34072 1 232 . 1 1 32 32 ASP HB2 H 1 3.058 0.005 . 2 . . . . A 32 ASP HB2 . 34072 1 233 . 1 1 32 32 ASP HB3 H 1 2.551 0.005 . 2 . . . . A 32 ASP HB3 . 34072 1 234 . 1 1 32 32 ASP CA C 13 53.032 0.02 . 1 . . . . A 32 ASP CA . 34072 1 235 . 1 1 32 32 ASP CB C 13 40.041 0.02 . 1 . . . . A 32 ASP CB . 34072 1 236 . 1 1 32 32 ASP N N 15 116.981 0.04 . 1 . . . . A 32 ASP N . 34072 1 237 . 1 1 33 33 CYS H H 1 7.132 0.005 . 1 . . . . A 33 CYS H . 34072 1 238 . 1 1 33 33 CYS HA H 1 3.747 0.005 . 1 . . . . A 33 CYS HA . 34072 1 239 . 1 1 33 33 CYS HB2 H 1 2.756 0.005 . 2 . . . . A 33 CYS HB2 . 34072 1 240 . 1 1 33 33 CYS HB3 H 1 3.436 0.005 . 2 . . . . A 33 CYS HB3 . 34072 1 241 . 1 1 33 33 CYS CA C 13 62.336 0.02 . 1 . . . . A 33 CYS CA . 34072 1 242 . 1 1 33 33 CYS CB C 13 31.394 0.02 . 1 . . . . A 33 CYS CB . 34072 1 243 . 1 1 33 33 CYS N N 15 122.332 0.04 . 1 . . . . A 33 CYS N . 34072 1 244 . 1 1 34 34 LYS H H 1 8.165 0.005 . 1 . . . . A 34 LYS H . 34072 1 245 . 1 1 34 34 LYS HA H 1 4.608 0.005 . 1 . . . . A 34 LYS HA . 34072 1 246 . 1 1 34 34 LYS HB2 H 1 1.594 0.005 . 2 . . . . A 34 LYS HB2 . 34072 1 247 . 1 1 34 34 LYS HB3 H 1 2.078 0.005 . 2 . . . . A 34 LYS HB3 . 34072 1 248 . 1 1 34 34 LYS HG2 H 1 1.375 0.005 . 2 . . . . A 34 LYS HG2 . 34072 1 249 . 1 1 34 34 LYS HG3 H 1 1.436 0.005 . 2 . . . . A 34 LYS HG3 . 34072 1 250 . 1 1 34 34 LYS HE2 H 1 2.918 0.005 . 2 . . . . A 34 LYS HE2 . 34072 1 251 . 1 1 34 34 LYS HE3 H 1 2.958 0.005 . 2 . . . . A 34 LYS HE3 . 34072 1 252 . 1 1 34 34 LYS CA C 13 54.777 0.02 . 1 . . . . A 34 LYS CA . 34072 1 253 . 1 1 34 34 LYS CB C 13 32.772 0.02 . 1 . . . . A 34 LYS CB . 34072 1 254 . 1 1 34 34 LYS CG C 13 24.205 0.02 . 1 . . . . A 34 LYS CG . 34072 1 255 . 1 1 34 34 LYS CE C 13 42.181 0.02 . 1 . . . . A 34 LYS CE . 34072 1 256 . 1 1 34 34 LYS N N 15 128.86 0.04 . 1 . . . . A 34 LYS N . 34072 1 257 . 1 1 35 35 CYS H H 1 9.393 0.005 . 1 . . . . A 35 CYS H . 34072 1 258 . 1 1 35 35 CYS HA H 1 4.222 0.005 . 1 . . . . A 35 CYS HA . 34072 1 259 . 1 1 35 35 CYS HB2 H 1 2.757 0.005 . 2 . . . . A 35 CYS HB2 . 34072 1 260 . 1 1 35 35 CYS HB3 H 1 3.458 0.005 . 2 . . . . A 35 CYS HB3 . 34072 1 261 . 1 1 35 35 CYS CA C 13 60.4 0.02 . 1 . . . . A 35 CYS CA . 34072 1 262 . 1 1 35 35 CYS CB C 13 31.288 0.02 . 1 . . . . A 35 CYS CB . 34072 1 263 . 1 1 35 35 CYS N N 15 129.232 0.04 . 1 . . . . A 35 CYS N . 34072 1 264 . 1 1 36 36 GLN H H 1 9.126 0.005 . 1 . . . . A 36 GLN H . 34072 1 265 . 1 1 36 36 GLN HA H 1 4.218 0.005 . 1 . . . . A 36 GLN HA . 34072 1 266 . 1 1 36 36 GLN HB2 H 1 2.157 0.005 . 2 . . . . A 36 GLN HB2 . 34072 1 267 . 1 1 36 36 GLN HB3 H 1 2.293 0.005 . 2 . . . . A 36 GLN HB3 . 34072 1 268 . 1 1 36 36 GLN HG2 H 1 2.483 0.005 . 2 . . . . A 36 GLN HG2 . 34072 1 269 . 1 1 36 36 GLN HG3 H 1 2.592 0.005 . 2 . . . . A 36 GLN HG3 . 34072 1 270 . 1 1 36 36 GLN HE21 H 1 6.934 0.005 . 2 . . . . A 36 GLN HE21 . 34072 1 271 . 1 1 36 36 GLN HE22 H 1 7.57 0.005 . 2 . . . . A 36 GLN HE22 . 34072 1 272 . 1 1 36 36 GLN CA C 13 58.042 0.02 . 1 . . . . A 36 GLN CA . 34072 1 273 . 1 1 36 36 GLN CB C 13 28.456 0.02 . 1 . . . . A 36 GLN CB . 34072 1 274 . 1 1 36 36 GLN CG C 13 34.176 0.02 . 1 . . . . A 36 GLN CG . 34072 1 275 . 1 1 36 36 GLN N N 15 128.051 0.04 . 1 . . . . A 36 GLN N . 34072 1 276 . 1 1 36 36 GLN NE2 N 15 112.392 0.04 . 1 . . . . A 36 GLN NE2 . 34072 1 277 . 1 1 37 37 SER H H 1 9.221 0.005 . 1 . . . . A 37 SER H . 34072 1 278 . 1 1 37 37 SER HA H 1 4.65 0.005 . 1 . . . . A 37 SER HA . 34072 1 279 . 1 1 37 37 SER HB2 H 1 4.008 0.005 . 2 . . . . A 37 SER HB2 . 34072 1 280 . 1 1 37 37 SER HB3 H 1 4.083 0.005 . 2 . . . . A 37 SER HB3 . 34072 1 281 . 1 1 37 37 SER CA C 13 60.985 0.02 . 1 . . . . A 37 SER CA . 34072 1 282 . 1 1 37 37 SER CB C 13 63.733 0.02 . 1 . . . . A 37 SER CB . 34072 1 283 . 1 1 37 37 SER N N 15 115.991 0.04 . 1 . . . . A 37 SER N . 34072 1 284 . 1 1 38 38 CYS H H 1 7.671 0.005 . 1 . . . . A 38 CYS H . 34072 1 285 . 1 1 38 38 CYS HA H 1 5.033 0.005 . 1 . . . . A 38 CYS HA . 34072 1 286 . 1 1 38 38 CYS HB2 H 1 3.232 0.005 . 2 . . . . A 38 CYS HB2 . 34072 1 287 . 1 1 38 38 CYS HB3 H 1 3.458 0.005 . 2 . . . . A 38 CYS HB3 . 34072 1 288 . 1 1 38 38 CYS CA C 13 58.998 0.02 . 1 . . . . A 38 CYS CA . 34072 1 289 . 1 1 38 38 CYS CB C 13 33.028 0.02 . 1 . . . . A 38 CYS CB . 34072 1 290 . 1 1 38 38 CYS N N 15 115.3 0.04 . 1 . . . . A 38 CYS N . 34072 1 291 . 1 1 39 39 LYS H H 1 7.783 0.005 . 1 . . . . A 39 LYS H . 34072 1 292 . 1 1 39 39 LYS HA H 1 4.271 0.005 . 1 . . . . A 39 LYS HA . 34072 1 293 . 1 1 39 39 LYS HB2 H 1 1.533 0.005 . 2 . . . . A 39 LYS HB2 . 34072 1 294 . 1 1 39 39 LYS HB3 H 1 1.804 0.005 . 2 . . . . A 39 LYS HB3 . 34072 1 295 . 1 1 39 39 LYS HG2 H 1 1.035 0.005 . 2 . . . . A 39 LYS HG2 . 34072 1 296 . 1 1 39 39 LYS HG3 H 1 1.035 0.005 . 2 . . . . A 39 LYS HG3 . 34072 1 297 . 1 1 39 39 LYS HD2 H 1 1.428 0.005 . 2 . . . . A 39 LYS HD2 . 34072 1 298 . 1 1 39 39 LYS HD3 H 1 1.585 0.005 . 2 . . . . A 39 LYS HD3 . 34072 1 299 . 1 1 39 39 LYS HE2 H 1 2.932 0.005 . 2 . . . . A 39 LYS HE2 . 34072 1 300 . 1 1 39 39 LYS HE3 H 1 2.932 0.005 . 2 . . . . A 39 LYS HE3 . 34072 1 301 . 1 1 39 39 LYS CA C 13 57.307 0.02 . 1 . . . . A 39 LYS CA . 34072 1 302 . 1 1 39 39 LYS CB C 13 32.988 0.02 . 1 . . . . A 39 LYS CB . 34072 1 303 . 1 1 39 39 LYS CG C 13 24.394 0.02 . 1 . . . . A 39 LYS CG . 34072 1 304 . 1 1 39 39 LYS CD C 13 28.638 0.02 . 1 . . . . A 39 LYS CD . 34072 1 305 . 1 1 39 39 LYS CE C 13 42.131 0.02 . 1 . . . . A 39 LYS CE . 34072 1 306 . 1 1 39 39 LYS N N 15 122.511 0.04 . 1 . . . . A 39 LYS N . 34072 1 307 . 1 1 40 40 TYR H H 1 7.341 0.005 . 1 . . . . A 40 TYR H . 34072 1 308 . 1 1 40 40 TYR HA H 1 4.959 0.005 . 1 . . . . A 40 TYR HA . 34072 1 309 . 1 1 40 40 TYR HB2 H 1 2.727 0.005 . 2 . . . . A 40 TYR HB2 . 34072 1 310 . 1 1 40 40 TYR HB3 H 1 3.288 0.005 . 2 . . . . A 40 TYR HB3 . 34072 1 311 . 1 1 40 40 TYR CA C 13 55.816 0.02 . 1 . . . . A 40 TYR CA . 34072 1 312 . 1 1 40 40 TYR CB C 13 40.923 0.02 . 1 . . . . A 40 TYR CB . 34072 1 313 . 1 1 40 40 TYR N N 15 114.285 0.04 . 1 . . . . A 40 TYR N . 34072 1 314 . 1 1 41 41 GLY H H 1 8.688 0.005 . 1 . . . . A 41 GLY H . 34072 1 315 . 1 1 41 41 GLY HA2 H 1 3.771 0.005 . 2 . . . . A 41 GLY HA2 . 34072 1 316 . 1 1 41 41 GLY HA3 H 1 4.203 0.005 . 2 . . . . A 41 GLY HA3 . 34072 1 317 . 1 1 41 41 GLY CA C 13 44.657 0.02 . 1 . . . . A 41 GLY CA . 34072 1 318 . 1 1 41 41 GLY N N 15 108.796 0.04 . 1 . . . . A 41 GLY N . 34072 1 319 . 1 1 42 42 ALA H H 1 8.477 0.005 . 1 . . . . A 42 ALA H . 34072 1 320 . 1 1 42 42 ALA HA H 1 4.137 0.005 . 1 . . . . A 42 ALA HA . 34072 1 321 . 1 1 42 42 ALA HB1 H 1 1.47 0.005 . 1 . . . . A 42 ALA MB . 34072 1 322 . 1 1 42 42 ALA HB2 H 1 1.47 0.005 . 1 . . . . A 42 ALA MB . 34072 1 323 . 1 1 42 42 ALA HB3 H 1 1.47 0.005 . 1 . . . . A 42 ALA MB . 34072 1 324 . 1 1 42 42 ALA CA C 13 54.758 0.02 . 1 . . . . A 42 ALA CA . 34072 1 325 . 1 1 42 42 ALA CB C 13 17.891 0.02 . 1 . . . . A 42 ALA CB . 34072 1 326 . 1 1 42 42 ALA N N 15 126.503 0.04 . 1 . . . . A 42 ALA N . 34072 1 327 . 1 1 43 43 GLY H H 1 9.424 0.005 . 1 . . . . A 43 GLY H . 34072 1 328 . 1 1 43 43 GLY HA2 H 1 3.624 0.005 . 2 . . . . A 43 GLY HA2 . 34072 1 329 . 1 1 43 43 GLY HA3 H 1 4.182 0.005 . 2 . . . . A 43 GLY HA3 . 34072 1 330 . 1 1 43 43 GLY CA C 13 45.013 0.02 . 1 . . . . A 43 GLY CA . 34072 1 331 . 1 1 43 43 GLY N N 15 106.18 0.04 . 1 . . . . A 43 GLY N . 34072 1 332 . 1 1 44 44 CYS H H 1 7.324 0.005 . 1 . . . . A 44 CYS H . 34072 1 333 . 1 1 44 44 CYS HA H 1 4.538 0.005 . 1 . . . . A 44 CYS HA . 34072 1 334 . 1 1 44 44 CYS HB2 H 1 2.964 0.005 . 2 . . . . A 44 CYS HB2 . 34072 1 335 . 1 1 44 44 CYS HB3 H 1 3.027 0.005 . 2 . . . . A 44 CYS HB3 . 34072 1 336 . 1 1 44 44 CYS CA C 13 64.469 0.02 . 1 . . . . A 44 CYS CA . 34072 1 337 . 1 1 44 44 CYS CB C 13 30.576 0.02 . 1 . . . . A 44 CYS CB . 34072 1 338 . 1 1 44 44 CYS N N 15 119.757 0.04 . 1 . . . . A 44 CYS N . 34072 1 339 . 1 1 45 45 THR H H 1 7.211 0.005 . 1 . . . . A 45 THR H . 34072 1 340 . 1 1 45 45 THR HA H 1 4.3 0.005 . 1 . . . . A 45 THR HA . 34072 1 341 . 1 1 45 45 THR HB H 1 4.751 0.005 . 1 . . . . A 45 THR HB . 34072 1 342 . 1 1 45 45 THR HG21 H 1 1.345 0.005 . 1 . . . . A 45 THR MG . 34072 1 343 . 1 1 45 45 THR HG22 H 1 1.345 0.005 . 1 . . . . A 45 THR MG . 34072 1 344 . 1 1 45 45 THR HG23 H 1 1.345 0.005 . 1 . . . . A 45 THR MG . 34072 1 345 . 1 1 45 45 THR CA C 13 59.768 0.02 . 1 . . . . A 45 THR CA . 34072 1 346 . 1 1 45 45 THR CB C 13 71.286 0.02 . 1 . . . . A 45 THR CB . 34072 1 347 . 1 1 45 45 THR CG2 C 13 22.553 0.02 . 1 . . . . A 45 THR CG2 . 34072 1 348 . 1 1 45 45 THR N N 15 113.203 0.04 . 1 . . . . A 45 THR N . 34072 1 349 . 1 1 46 46 ASP H H 1 8.902 0.005 . 1 . . . . A 46 ASP H . 34072 1 350 . 1 1 46 46 ASP HA H 1 4.167 0.005 . 1 . . . . A 46 ASP HA . 34072 1 351 . 1 1 46 46 ASP HB2 H 1 2.586 0.005 . 2 . . . . A 46 ASP HB2 . 34072 1 352 . 1 1 46 46 ASP HB3 H 1 2.665 0.005 . 2 . . . . A 46 ASP HB3 . 34072 1 353 . 1 1 46 46 ASP CA C 13 57.179 0.02 . 1 . . . . A 46 ASP CA . 34072 1 354 . 1 1 46 46 ASP CB C 13 39.379 0.02 . 1 . . . . A 46 ASP CB . 34072 1 355 . 1 1 46 46 ASP N N 15 119.529 0.04 . 1 . . . . A 46 ASP N . 34072 1 356 . 1 1 47 47 THR H H 1 7.534 0.005 . 1 . . . . A 47 THR H . 34072 1 357 . 1 1 47 47 THR HA H 1 3.879 0.005 . 1 . . . . A 47 THR HA . 34072 1 358 . 1 1 47 47 THR HB H 1 3.9 0.005 . 1 . . . . A 47 THR HB . 34072 1 359 . 1 1 47 47 THR HG21 H 1 1.139 0.005 . 1 . . . . A 47 THR MG . 34072 1 360 . 1 1 47 47 THR HG22 H 1 1.139 0.005 . 1 . . . . A 47 THR MG . 34072 1 361 . 1 1 47 47 THR HG23 H 1 1.139 0.005 . 1 . . . . A 47 THR MG . 34072 1 362 . 1 1 47 47 THR CA C 13 65.594 0.02 . 1 . . . . A 47 THR CA . 34072 1 363 . 1 1 47 47 THR CB C 13 68.531 0.02 . 1 . . . . A 47 THR CB . 34072 1 364 . 1 1 47 47 THR CG2 C 13 22.042 0.02 . 1 . . . . A 47 THR CG2 . 34072 1 365 . 1 1 47 47 THR N N 15 113.956 0.04 . 1 . . . . A 47 THR N . 34072 1 366 . 1 1 48 48 CYS H H 1 7.323 0.005 . 1 . . . . A 48 CYS H . 34072 1 367 . 1 1 48 48 CYS HA H 1 5.48 0.005 . 1 . . . . A 48 CYS HA . 34072 1 368 . 1 1 48 48 CYS HB2 H 1 2.646 0.005 . 2 . . . . A 48 CYS HB2 . 34072 1 369 . 1 1 48 48 CYS HB3 H 1 3.13 0.005 . 2 . . . . A 48 CYS HB3 . 34072 1 370 . 1 1 48 48 CYS CA C 13 60.907 0.02 . 1 . . . . A 48 CYS CA . 34072 1 371 . 1 1 48 48 CYS CB C 13 31.371 0.02 . 1 . . . . A 48 CYS CB . 34072 1 372 . 1 1 48 48 CYS N N 15 126.311 0.04 . 1 . . . . A 48 CYS N . 34072 1 373 . 1 1 49 49 LYS H H 1 6.787 0.005 . 1 . . . . A 49 LYS H . 34072 1 374 . 1 1 49 49 LYS HA H 1 3.783 0.005 . 1 . . . . A 49 LYS HA . 34072 1 375 . 1 1 49 49 LYS HB2 H 1 1.371 0.005 . 2 . . . . A 49 LYS HB2 . 34072 1 376 . 1 1 49 49 LYS HB3 H 1 1.644 0.005 . 2 . . . . A 49 LYS HB3 . 34072 1 377 . 1 1 49 49 LYS HG2 H 1 -0.483 0.005 . 2 . . . . A 49 LYS HG2 . 34072 1 378 . 1 1 49 49 LYS HG3 H 1 0.988 0.005 . 2 . . . . A 49 LYS HG3 . 34072 1 379 . 1 1 49 49 LYS HD2 H 1 1.192 0.005 . 2 . . . . A 49 LYS HD2 . 34072 1 380 . 1 1 49 49 LYS HD3 H 1 1.243 0.005 . 2 . . . . A 49 LYS HD3 . 34072 1 381 . 1 1 49 49 LYS HE2 H 1 2.375 0.005 . 2 . . . . A 49 LYS HE2 . 34072 1 382 . 1 1 49 49 LYS HE3 H 1 2.375 0.005 . 2 . . . . A 49 LYS HE3 . 34072 1 383 . 1 1 49 49 LYS CA C 13 56.324 0.02 . 1 . . . . A 49 LYS CA . 34072 1 384 . 1 1 49 49 LYS CB C 13 32.496 0.02 . 1 . . . . A 49 LYS CB . 34072 1 385 . 1 1 49 49 LYS CG C 13 24.388 0.02 . 1 . . . . A 49 LYS CG . 34072 1 386 . 1 1 49 49 LYS CD C 13 29.704 0.02 . 1 . . . . A 49 LYS CD . 34072 1 387 . 1 1 49 49 LYS CE C 13 42.167 0.02 . 1 . . . . A 49 LYS CE . 34072 1 388 . 1 1 49 49 LYS N N 15 113.213 0.04 . 1 . . . . A 49 LYS N . 34072 1 389 . 1 1 50 50 GLN H H 1 7.105 0.005 . 1 . . . . A 50 GLN H . 34072 1 390 . 1 1 50 50 GLN HA H 1 4.146 0.005 . 1 . . . . A 50 GLN HA . 34072 1 391 . 1 1 50 50 GLN HB2 H 1 2.085 0.005 . 2 . . . . A 50 GLN HB2 . 34072 1 392 . 1 1 50 50 GLN HB3 H 1 2.085 0.005 . 2 . . . . A 50 GLN HB3 . 34072 1 393 . 1 1 50 50 GLN HG2 H 1 2.483 0.005 . 2 . . . . A 50 GLN HG2 . 34072 1 394 . 1 1 50 50 GLN HG3 H 1 2.787 0.005 . 2 . . . . A 50 GLN HG3 . 34072 1 395 . 1 1 50 50 GLN HE21 H 1 6.906 0.005 . 2 . . . . A 50 GLN HE21 . 34072 1 396 . 1 1 50 50 GLN HE22 H 1 7.499 0.005 . 2 . . . . A 50 GLN HE22 . 34072 1 397 . 1 1 50 50 GLN CA C 13 55.811 0.02 . 1 . . . . A 50 GLN CA . 34072 1 398 . 1 1 50 50 GLN CB C 13 29.768 0.02 . 1 . . . . A 50 GLN CB . 34072 1 399 . 1 1 50 50 GLN CG C 13 34.172 0.02 . 1 . . . . A 50 GLN CG . 34072 1 400 . 1 1 50 50 GLN N N 15 119.046 0.04 . 1 . . . . A 50 GLN N . 34072 1 401 . 1 1 50 50 GLN NE2 N 15 110.871 0.04 . 1 . . . . A 50 GLN NE2 . 34072 1 402 . 1 1 51 51 THR H H 1 8.245 0.005 . 1 . . . . A 51 THR H . 34072 1 403 . 1 1 51 51 THR HA H 1 4.631 0.005 . 1 . . . . A 51 THR HA . 34072 1 404 . 1 1 51 51 THR HB H 1 4.04 0.005 . 1 . . . . A 51 THR HB . 34072 1 405 . 1 1 51 51 THR HG21 H 1 1.173 0.005 . 1 . . . . A 51 THR MG . 34072 1 406 . 1 1 51 51 THR HG22 H 1 1.173 0.005 . 1 . . . . A 51 THR MG . 34072 1 407 . 1 1 51 51 THR HG23 H 1 1.173 0.005 . 1 . . . . A 51 THR MG . 34072 1 408 . 1 1 51 51 THR CA C 13 58.229 0.02 . 1 . . . . A 51 THR CA . 34072 1 409 . 1 1 51 51 THR CB C 13 70.416 0.02 . 1 . . . . A 51 THR CB . 34072 1 410 . 1 1 51 51 THR CG2 C 13 20.659 0.02 . 1 . . . . A 51 THR CG2 . 34072 1 411 . 1 1 51 51 THR N N 15 113.422 0.04 . 1 . . . . A 51 THR N . 34072 1 412 . 1 1 52 52 PRO HA H 1 4.946 0.005 . 1 . . . . A 52 PRO HA . 34072 1 413 . 1 1 52 52 PRO HB2 H 1 2.212 0.005 . 2 . . . . A 52 PRO HB2 . 34072 1 414 . 1 1 52 52 PRO HB3 H 1 2.383 0.005 . 2 . . . . A 52 PRO HB3 . 34072 1 415 . 1 1 52 52 PRO HG2 H 1 1.711 0.005 . 2 . . . . A 52 PRO HG2 . 34072 1 416 . 1 1 52 52 PRO HG3 H 1 1.975 0.005 . 2 . . . . A 52 PRO HG3 . 34072 1 417 . 1 1 52 52 PRO HD2 H 1 3.46 0.005 . 2 . . . . A 52 PRO HD2 . 34072 1 418 . 1 1 52 52 PRO HD3 H 1 3.54 0.005 . 2 . . . . A 52 PRO HD3 . 34072 1 419 . 1 1 52 52 PRO CA C 13 63.409 0.02 . 1 . . . . A 52 PRO CA . 34072 1 420 . 1 1 52 52 PRO CB C 13 34.552 0.02 . 1 . . . . A 52 PRO CB . 34072 1 421 . 1 1 52 52 PRO CG C 13 24.451 0.02 . 1 . . . . A 52 PRO CG . 34072 1 422 . 1 1 52 52 PRO CD C 13 49.275 0.02 . 1 . . . . A 52 PRO CD . 34072 1 423 . 1 1 53 53 CYS H H 1 8.327 0.005 . 1 . . . . A 53 CYS H . 34072 1 424 . 1 1 53 53 CYS HA H 1 4.138 0.005 . 1 . . . . A 53 CYS HA . 34072 1 425 . 1 1 53 53 CYS HB2 H 1 2.791 0.005 . 2 . . . . A 53 CYS HB2 . 34072 1 426 . 1 1 53 53 CYS HB3 H 1 3.232 0.005 . 2 . . . . A 53 CYS HB3 . 34072 1 427 . 1 1 53 53 CYS CA C 13 61.666 0.02 . 1 . . . . A 53 CYS CA . 34072 1 428 . 1 1 53 53 CYS CB C 13 29.895 0.02 . 1 . . . . A 53 CYS CB . 34072 1 429 . 1 1 53 53 CYS N N 15 120.227 0.04 . 1 . . . . A 53 CYS N . 34072 1 430 . 1 1 54 54 GLY H H 1 8.171 0.005 . 1 . . . . A 54 GLY H . 34072 1 431 . 1 1 54 54 GLY HA2 H 1 3.631 0.005 . 2 . . . . A 54 GLY HA2 . 34072 1 432 . 1 1 54 54 GLY HA3 H 1 4.489 0.005 . 2 . . . . A 54 GLY HA3 . 34072 1 433 . 1 1 54 54 GLY CA C 13 45.552 0.02 . 1 . . . . A 54 GLY CA . 34072 1 434 . 1 1 54 54 GLY N N 15 116.297 0.04 . 1 . . . . A 54 GLY N . 34072 1 435 . 1 1 55 55 CYS H H 1 9.138 0.005 . 1 . . . . A 55 CYS H . 34072 1 436 . 1 1 55 55 CYS HA H 1 3.607 0.005 . 1 . . . . A 55 CYS HA . 34072 1 437 . 1 1 55 55 CYS HB2 H 1 2.881 0.005 . 2 . . . . A 55 CYS HB2 . 34072 1 438 . 1 1 55 55 CYS HB3 H 1 2.881 0.005 . 2 . . . . A 55 CYS HB3 . 34072 1 439 . 1 1 55 55 CYS CA C 13 65.567 0.02 . 1 . . . . A 55 CYS CA . 34072 1 440 . 1 1 55 55 CYS CB C 13 29.84 0.02 . 1 . . . . A 55 CYS CB . 34072 1 441 . 1 1 55 55 CYS N N 15 124.255 0.04 . 1 . . . . A 55 CYS N . 34072 1 442 . 1 1 56 56 GLY H H 1 8.666 0.005 . 1 . . . . A 56 GLY H . 34072 1 443 . 1 1 56 56 GLY HA2 H 1 3.707 0.005 . 2 . . . . A 56 GLY HA2 . 34072 1 444 . 1 1 56 56 GLY HA3 H 1 3.859 0.005 . 2 . . . . A 56 GLY HA3 . 34072 1 445 . 1 1 56 56 GLY CA C 13 46.411 0.02 . 1 . . . . A 56 GLY CA . 34072 1 446 . 1 1 56 56 GLY N N 15 107.386 0.04 . 1 . . . . A 56 GLY N . 34072 1 447 . 1 1 57 57 SER HA H 1 4.499 0.005 . 1 . . . . A 57 SER HA . 34072 1 448 . 1 1 57 57 SER HB2 H 1 3.918 0.005 . 2 . . . . A 57 SER HB2 . 34072 1 449 . 1 1 57 57 SER HB3 H 1 4.063 0.005 . 2 . . . . A 57 SER HB3 . 34072 1 450 . 1 1 57 57 SER CA C 13 58.592 0.02 . 1 . . . . A 57 SER CA . 34072 1 451 . 1 1 57 57 SER CB C 13 62.996 0.02 . 1 . . . . A 57 SER CB . 34072 1 452 . 1 1 58 58 GLY H H 1 8.295 0.005 . 1 . . . . A 58 GLY H . 34072 1 453 . 1 1 58 58 GLY HA2 H 1 3.613 0.005 . 2 . . . . A 58 GLY HA2 . 34072 1 454 . 1 1 58 58 GLY HA3 H 1 4.446 0.005 . 2 . . . . A 58 GLY HA3 . 34072 1 455 . 1 1 58 58 GLY CA C 13 45.53 0.02 . 1 . . . . A 58 GLY CA . 34072 1 456 . 1 1 58 58 GLY N N 15 111.771 0.04 . 1 . . . . A 58 GLY N . 34072 1 457 . 1 1 59 59 CYS H H 1 7.794 0.005 . 1 . . . . A 59 CYS H . 34072 1 458 . 1 1 59 59 CYS HA H 1 4.298 0.005 . 1 . . . . A 59 CYS HA . 34072 1 459 . 1 1 59 59 CYS HB2 H 1 3.106 0.005 . 2 . . . . A 59 CYS HB2 . 34072 1 460 . 1 1 59 59 CYS HB3 H 1 3.172 0.005 . 2 . . . . A 59 CYS HB3 . 34072 1 461 . 1 1 59 59 CYS CA C 13 61.079 0.02 . 1 . . . . A 59 CYS CA . 34072 1 462 . 1 1 59 59 CYS CB C 13 30.883 0.02 . 1 . . . . A 59 CYS CB . 34072 1 463 . 1 1 59 59 CYS N N 15 121.886 0.04 . 1 . . . . A 59 CYS N . 34072 1 464 . 1 1 60 60 ASN H H 1 9.417 0.005 . 1 . . . . A 60 ASN H . 34072 1 465 . 1 1 60 60 ASN HA H 1 5.346 0.005 . 1 . . . . A 60 ASN HA . 34072 1 466 . 1 1 60 60 ASN HB2 H 1 2.527 0.005 . 2 . . . . A 60 ASN HB2 . 34072 1 467 . 1 1 60 60 ASN HB3 H 1 3.143 0.005 . 2 . . . . A 60 ASN HB3 . 34072 1 468 . 1 1 60 60 ASN HD21 H 1 6.881 0.005 . 2 . . . . A 60 ASN HD21 . 34072 1 469 . 1 1 60 60 ASN HD22 H 1 7.511 0.005 . 2 . . . . A 60 ASN HD22 . 34072 1 470 . 1 1 60 60 ASN CA C 13 52.393 0.02 . 1 . . . . A 60 ASN CA . 34072 1 471 . 1 1 60 60 ASN CB C 13 39.879 0.02 . 1 . . . . A 60 ASN CB . 34072 1 472 . 1 1 60 60 ASN N N 15 130.258 0.04 . 1 . . . . A 60 ASN N . 34072 1 473 . 1 1 60 60 ASN ND2 N 15 112.289 0.04 . 1 . . . . A 60 ASN ND2 . 34072 1 474 . 1 1 61 61 CYS H H 1 9.327 0.005 . 1 . . . . A 61 CYS H . 34072 1 475 . 1 1 61 61 CYS HA H 1 4.416 0.005 . 1 . . . . A 61 CYS HA . 34072 1 476 . 1 1 61 61 CYS HB2 H 1 2.904 0.005 . 2 . . . . A 61 CYS HB2 . 34072 1 477 . 1 1 61 61 CYS HB3 H 1 3.591 0.005 . 2 . . . . A 61 CYS HB3 . 34072 1 478 . 1 1 61 61 CYS CA C 13 61.061 0.02 . 1 . . . . A 61 CYS CA . 34072 1 479 . 1 1 61 61 CYS CB C 13 29.707 0.02 . 1 . . . . A 61 CYS CB . 34072 1 480 . 1 1 61 61 CYS N N 15 122.129 0.04 . 1 . . . . A 61 CYS N . 34072 1 481 . 1 1 62 62 LYS H H 1 8.465 0.005 . 1 . . . . A 62 LYS H . 34072 1 482 . 1 1 62 62 LYS HA H 1 4.707 0.005 . 1 . . . . A 62 LYS HA . 34072 1 483 . 1 1 62 62 LYS HB2 H 1 1.789 0.005 . 2 . . . . A 62 LYS HB2 . 34072 1 484 . 1 1 62 62 LYS HB3 H 1 2.141 0.005 . 2 . . . . A 62 LYS HB3 . 34072 1 485 . 1 1 62 62 LYS HG2 H 1 1.471 0.005 . 2 . . . . A 62 LYS HG2 . 34072 1 486 . 1 1 62 62 LYS HG3 H 1 1.622 0.005 . 2 . . . . A 62 LYS HG3 . 34072 1 487 . 1 1 62 62 LYS HD2 H 1 1.71 0.005 . 2 . . . . A 62 LYS HD2 . 34072 1 488 . 1 1 62 62 LYS HD3 H 1 1.71 0.005 . 2 . . . . A 62 LYS HD3 . 34072 1 489 . 1 1 62 62 LYS HE2 H 1 3.075 0.005 . 2 . . . . A 62 LYS HE2 . 34072 1 490 . 1 1 62 62 LYS HE3 H 1 3.075 0.005 . 2 . . . . A 62 LYS HE3 . 34072 1 491 . 1 1 62 62 LYS CA C 13 54.009 0.02 . 1 . . . . A 62 LYS CA . 34072 1 492 . 1 1 62 62 LYS CB C 13 33.461 0.02 . 1 . . . . A 62 LYS CB . 34072 1 493 . 1 1 62 62 LYS CG C 13 24.874 0.02 . 1 . . . . A 62 LYS CG . 34072 1 494 . 1 1 62 62 LYS CD C 13 28.219 0.02 . 1 . . . . A 62 LYS CD . 34072 1 495 . 1 1 62 62 LYS CE C 13 42.228 0.02 . 1 . . . . A 62 LYS CE . 34072 1 496 . 1 1 62 62 LYS N N 15 120.226 0.04 . 1 . . . . A 62 LYS N . 34072 1 497 . 1 1 63 63 GLU H H 1 8.506 0.005 . 1 . . . . A 63 GLU H . 34072 1 498 . 1 1 63 63 GLU HA H 1 3.987 0.005 . 1 . . . . A 63 GLU HA . 34072 1 499 . 1 1 63 63 GLU HB2 H 1 1.969 0.005 . 2 . . . . A 63 GLU HB2 . 34072 1 500 . 1 1 63 63 GLU HB3 H 1 2.029 0.005 . 2 . . . . A 63 GLU HB3 . 34072 1 501 . 1 1 63 63 GLU HG2 H 1 2.278 0.005 . 2 . . . . A 63 GLU HG2 . 34072 1 502 . 1 1 63 63 GLU HG3 H 1 2.278 0.005 . 2 . . . . A 63 GLU HG3 . 34072 1 503 . 1 1 63 63 GLU CA C 13 58.945 0.02 . 1 . . . . A 63 GLU CA . 34072 1 504 . 1 1 63 63 GLU CB C 13 28.823 0.02 . 1 . . . . A 63 GLU CB . 34072 1 505 . 1 1 63 63 GLU CG C 13 36.418 0.02 . 1 . . . . A 63 GLU CG . 34072 1 506 . 1 1 63 63 GLU N N 15 116.574 0.04 . 1 . . . . A 63 GLU N . 34072 1 507 . 1 1 64 64 ASP H H 1 7.526 0.005 . 1 . . . . A 64 ASP H . 34072 1 508 . 1 1 64 64 ASP HA H 1 4.474 0.005 . 1 . . . . A 64 ASP HA . 34072 1 509 . 1 1 64 64 ASP HB2 H 1 2.612 0.005 . 2 . . . . A 64 ASP HB2 . 34072 1 510 . 1 1 64 64 ASP HB3 H 1 3.211 0.005 . 2 . . . . A 64 ASP HB3 . 34072 1 511 . 1 1 64 64 ASP CA C 13 52.6 0.02 . 1 . . . . A 64 ASP CA . 34072 1 512 . 1 1 64 64 ASP CB C 13 39.665 0.02 . 1 . . . . A 64 ASP CB . 34072 1 513 . 1 1 64 64 ASP N N 15 113.22 0.04 . 1 . . . . A 64 ASP N . 34072 1 514 . 1 1 65 65 CYS H H 1 7.411 0.005 . 1 . . . . A 65 CYS H . 34072 1 515 . 1 1 65 65 CYS HA H 1 3.664 0.005 . 1 . . . . A 65 CYS HA . 34072 1 516 . 1 1 65 65 CYS HB2 H 1 2.936 0.005 . 2 . . . . A 65 CYS HB2 . 34072 1 517 . 1 1 65 65 CYS HB3 H 1 3.408 0.005 . 2 . . . . A 65 CYS HB3 . 34072 1 518 . 1 1 65 65 CYS CA C 13 62.626 0.02 . 1 . . . . A 65 CYS CA . 34072 1 519 . 1 1 65 65 CYS CB C 13 31.201 0.02 . 1 . . . . A 65 CYS CB . 34072 1 520 . 1 1 65 65 CYS N N 15 123.425 0.04 . 1 . . . . A 65 CYS N . 34072 1 521 . 1 1 66 66 ARG H H 1 8.122 0.005 . 1 . . . . A 66 ARG H . 34072 1 522 . 1 1 66 66 ARG HA H 1 4.448 0.005 . 1 . . . . A 66 ARG HA . 34072 1 523 . 1 1 66 66 ARG HB2 H 1 1.416 0.005 . 2 . . . . A 66 ARG HB2 . 34072 1 524 . 1 1 66 66 ARG HB3 H 1 1.832 0.005 . 2 . . . . A 66 ARG HB3 . 34072 1 525 . 1 1 66 66 ARG HG2 H 1 1.244 0.005 . 2 . . . . A 66 ARG HG2 . 34072 1 526 . 1 1 66 66 ARG HG3 H 1 1.659 0.005 . 2 . . . . A 66 ARG HG3 . 34072 1 527 . 1 1 66 66 ARG HD2 H 1 3.165 0.005 . 2 . . . . A 66 ARG HD2 . 34072 1 528 . 1 1 66 66 ARG HD3 H 1 3.236 0.005 . 2 . . . . A 66 ARG HD3 . 34072 1 529 . 1 1 66 66 ARG CA C 13 54.649 0.02 . 1 . . . . A 66 ARG CA . 34072 1 530 . 1 1 66 66 ARG CB C 13 30.265 0.02 . 1 . . . . A 66 ARG CB . 34072 1 531 . 1 1 66 66 ARG CG C 13 27.541 0.02 . 1 . . . . A 66 ARG CG . 34072 1 532 . 1 1 66 66 ARG CD C 13 43.632 0.02 . 1 . . . . A 66 ARG CD . 34072 1 533 . 1 1 66 66 ARG N N 15 127.025 0.04 . 1 . . . . A 66 ARG N . 34072 1 534 . 1 1 67 67 CYS H H 1 9.685 0.005 . 1 . . . . A 67 CYS H . 34072 1 535 . 1 1 67 67 CYS HA H 1 4.406 0.005 . 1 . . . . A 67 CYS HA . 34072 1 536 . 1 1 67 67 CYS HB2 H 1 2.711 0.005 . 2 . . . . A 67 CYS HB2 . 34072 1 537 . 1 1 67 67 CYS HB3 H 1 3.39 0.005 . 2 . . . . A 67 CYS HB3 . 34072 1 538 . 1 1 67 67 CYS CA C 13 59.956 0.02 . 1 . . . . A 67 CYS CA . 34072 1 539 . 1 1 67 67 CYS CB C 13 30.946 0.02 . 1 . . . . A 67 CYS CB . 34072 1 540 . 1 1 67 67 CYS N N 15 129.079 0.04 . 1 . . . . A 67 CYS N . 34072 1 541 . 1 1 68 68 GLN H H 1 9.572 0.005 . 1 . . . . A 68 GLN H . 34072 1 542 . 1 1 68 68 GLN HA H 1 4.139 0.005 . 1 . . . . A 68 GLN HA . 34072 1 543 . 1 1 68 68 GLN HB2 H 1 2.024 0.005 . 2 . . . . A 68 GLN HB2 . 34072 1 544 . 1 1 68 68 GLN HB3 H 1 2.429 0.005 . 2 . . . . A 68 GLN HB3 . 34072 1 545 . 1 1 68 68 GLN HG2 H 1 2.499 0.005 . 2 . . . . A 68 GLN HG2 . 34072 1 546 . 1 1 68 68 GLN HG3 H 1 2.891 0.005 . 2 . . . . A 68 GLN HG3 . 34072 1 547 . 1 1 68 68 GLN HE21 H 1 6.64 0.005 . 2 . . . . A 68 GLN HE21 . 34072 1 548 . 1 1 68 68 GLN HE22 H 1 6.901 0.005 . 2 . . . . A 68 GLN HE22 . 34072 1 549 . 1 1 68 68 GLN CA C 13 55.557 0.02 . 1 . . . . A 68 GLN CA . 34072 1 550 . 1 1 68 68 GLN CB C 13 27.061 0.02 . 1 . . . . A 68 GLN CB . 34072 1 551 . 1 1 68 68 GLN CG C 13 33.905 0.02 . 1 . . . . A 68 GLN CG . 34072 1 552 . 1 1 68 68 GLN N N 15 129.503 0.04 . 1 . . . . A 68 GLN N . 34072 1 553 . 1 1 68 68 GLN NE2 N 15 113.673 0.04 . 1 . . . . A 68 GLN NE2 . 34072 1 554 . 1 1 69 69 SER H H 1 9.303 0.005 . 1 . . . . A 69 SER H . 34072 1 555 . 1 1 69 69 SER HA H 1 4.62 0.005 . 1 . . . . A 69 SER HA . 34072 1 556 . 1 1 69 69 SER HB2 H 1 3.969 0.005 . 2 . . . . A 69 SER HB2 . 34072 1 557 . 1 1 69 69 SER HB3 H 1 4.004 0.005 . 2 . . . . A 69 SER HB3 . 34072 1 558 . 1 1 69 69 SER CA C 13 61.151 0.02 . 1 . . . . A 69 SER CA . 34072 1 559 . 1 1 69 69 SER CB C 13 63.291 0.02 . 1 . . . . A 69 SER CB . 34072 1 560 . 1 1 69 69 SER N N 15 117.183 0.04 . 1 . . . . A 69 SER N . 34072 1 561 . 1 1 70 70 CYS H H 1 7.454 0.005 . 1 . . . . A 70 CYS H . 34072 1 562 . 1 1 70 70 CYS HA H 1 5.174 0.005 . 1 . . . . A 70 CYS HA . 34072 1 563 . 1 1 70 70 CYS HB2 H 1 3.226 0.005 . 2 . . . . A 70 CYS HB2 . 34072 1 564 . 1 1 70 70 CYS HB3 H 1 3.513 0.005 . 2 . . . . A 70 CYS HB3 . 34072 1 565 . 1 1 70 70 CYS CA C 13 57.018 0.02 . 1 . . . . A 70 CYS CA . 34072 1 566 . 1 1 70 70 CYS CB C 13 32.832 0.02 . 1 . . . . A 70 CYS CB . 34072 1 567 . 1 1 70 70 CYS N N 15 112.923 0.04 . 1 . . . . A 70 CYS N . 34072 1 568 . 1 1 71 71 SER H H 1 7.227 0.005 . 1 . . . . A 71 SER H . 34072 1 569 . 1 1 71 71 SER HA H 1 4.684 0.005 . 1 . . . . A 71 SER HA . 34072 1 570 . 1 1 71 71 SER HB2 H 1 3.718 0.005 . 2 . . . . A 71 SER HB2 . 34072 1 571 . 1 1 71 71 SER HB3 H 1 3.896 0.005 . 2 . . . . A 71 SER HB3 . 34072 1 572 . 1 1 71 71 SER CA C 13 58.577 0.02 . 1 . . . . A 71 SER CA . 34072 1 573 . 1 1 71 71 SER CB C 13 64.888 0.02 . 1 . . . . A 71 SER CB . 34072 1 574 . 1 1 71 71 SER N N 15 118 0.04 . 1 . . . . A 71 SER N . 34072 1 575 . 1 1 72 72 THR H H 1 8.718 0.005 . 1 . . . . A 72 THR H . 34072 1 576 . 1 1 72 72 THR HA H 1 4.158 0.005 . 1 . . . . A 72 THR HA . 34072 1 577 . 1 1 72 72 THR HB H 1 4.234 0.005 . 1 . . . . A 72 THR HB . 34072 1 578 . 1 1 72 72 THR HG21 H 1 1.291 0.005 . 1 . . . . A 72 THR MG . 34072 1 579 . 1 1 72 72 THR HG22 H 1 1.291 0.005 . 1 . . . . A 72 THR MG . 34072 1 580 . 1 1 72 72 THR HG23 H 1 1.291 0.005 . 1 . . . . A 72 THR MG . 34072 1 581 . 1 1 72 72 THR CA C 13 62.51 0.02 . 1 . . . . A 72 THR CA . 34072 1 582 . 1 1 72 72 THR CB C 13 69.097 0.02 . 1 . . . . A 72 THR CB . 34072 1 583 . 1 1 72 72 THR CG2 C 13 21.716 0.02 . 1 . . . . A 72 THR CG2 . 34072 1 584 . 1 1 72 72 THR N N 15 117.16 0.04 . 1 . . . . A 72 THR N . 34072 1 585 . 1 1 73 73 ALA H H 1 8.122 0.005 . 1 . . . . A 73 ALA H . 34072 1 586 . 1 1 73 73 ALA HA H 1 4.325 0.005 . 1 . . . . A 73 ALA HA . 34072 1 587 . 1 1 73 73 ALA HB1 H 1 1.385 0.005 . 1 . . . . A 73 ALA MB . 34072 1 588 . 1 1 73 73 ALA HB2 H 1 1.385 0.005 . 1 . . . . A 73 ALA MB . 34072 1 589 . 1 1 73 73 ALA HB3 H 1 1.385 0.005 . 1 . . . . A 73 ALA MB . 34072 1 590 . 1 1 73 73 ALA CA C 13 52.015 0.02 . 1 . . . . A 73 ALA CA . 34072 1 591 . 1 1 73 73 ALA CB C 13 19.529 0.02 . 1 . . . . A 73 ALA CB . 34072 1 592 . 1 1 73 73 ALA N N 15 126.13 0.04 . 1 . . . . A 73 ALA N . 34072 1 593 . 1 1 74 74 CYS H H 1 8.486 0.005 . 1 . . . . A 74 CYS H . 34072 1 594 . 1 1 74 74 CYS HA H 1 3.838 0.005 . 1 . . . . A 74 CYS HA . 34072 1 595 . 1 1 74 74 CYS HB2 H 1 2.261 0.005 . 2 . . . . A 74 CYS HB2 . 34072 1 596 . 1 1 74 74 CYS HB3 H 1 3.048 0.005 . 2 . . . . A 74 CYS HB3 . 34072 1 597 . 1 1 74 74 CYS CA C 13 62.514 0.02 . 1 . . . . A 74 CYS CA . 34072 1 598 . 1 1 74 74 CYS CB C 13 31.993 0.02 . 1 . . . . A 74 CYS CB . 34072 1 599 . 1 1 74 74 CYS N N 15 123.288 0.04 . 1 . . . . A 74 CYS N . 34072 1 600 . 1 1 75 75 LYS H H 1 9.656 0.005 . 1 . . . . A 75 LYS H . 34072 1 601 . 1 1 75 75 LYS HA H 1 4.393 0.005 . 1 . . . . A 75 LYS HA . 34072 1 602 . 1 1 75 75 LYS HB2 H 1 1.771 0.005 . 2 . . . . A 75 LYS HB2 . 34072 1 603 . 1 1 75 75 LYS HB3 H 1 2.074 0.005 . 2 . . . . A 75 LYS HB3 . 34072 1 604 . 1 1 75 75 LYS HG2 H 1 1.528 0.005 . 2 . . . . A 75 LYS HG2 . 34072 1 605 . 1 1 75 75 LYS HG3 H 1 1.717 0.005 . 2 . . . . A 75 LYS HG3 . 34072 1 606 . 1 1 75 75 LYS HD2 H 1 1.566 0.005 . 2 . . . . A 75 LYS HD2 . 34072 1 607 . 1 1 75 75 LYS HD3 H 1 1.566 0.005 . 2 . . . . A 75 LYS HD3 . 34072 1 608 . 1 1 75 75 LYS HE2 H 1 3.005 0.005 . 2 . . . . A 75 LYS HE2 . 34072 1 609 . 1 1 75 75 LYS HE3 H 1 3.005 0.005 . 2 . . . . A 75 LYS HE3 . 34072 1 610 . 1 1 75 75 LYS CA C 13 56.42 0.02 . 1 . . . . A 75 LYS CA . 34072 1 611 . 1 1 75 75 LYS CB C 13 32.62 0.02 . 1 . . . . A 75 LYS CB . 34072 1 612 . 1 1 75 75 LYS CG C 13 25.426 0.02 . 1 . . . . A 75 LYS CG . 34072 1 613 . 1 1 75 75 LYS CD C 13 28.84 0.02 . 1 . . . . A 75 LYS CD . 34072 1 614 . 1 1 75 75 LYS CE C 13 42.425 0.02 . 1 . . . . A 75 LYS CE . 34072 1 615 . 1 1 75 75 LYS N N 15 128.039 0.04 . 1 . . . . A 75 LYS N . 34072 1 616 . 1 1 76 76 CYS H H 1 9.312 0.005 . 1 . . . . A 76 CYS H . 34072 1 617 . 1 1 76 76 CYS HA H 1 4.158 0.005 . 1 . . . . A 76 CYS HA . 34072 1 618 . 1 1 76 76 CYS HB2 H 1 2.902 0.005 . 2 . . . . A 76 CYS HB2 . 34072 1 619 . 1 1 76 76 CYS HB3 H 1 3.321 0.005 . 2 . . . . A 76 CYS HB3 . 34072 1 620 . 1 1 76 76 CYS CA C 13 62.516 0.02 . 1 . . . . A 76 CYS CA . 34072 1 621 . 1 1 76 76 CYS CB C 13 31.003 0.02 . 1 . . . . A 76 CYS CB . 34072 1 622 . 1 1 76 76 CYS N N 15 126.699 0.04 . 1 . . . . A 76 CYS N . 34072 1 623 . 1 1 77 77 ALA H H 1 7.378 0.005 . 1 . . . . A 77 ALA H . 34072 1 624 . 1 1 77 77 ALA HA H 1 4.652 0.005 . 1 . . . . A 77 ALA HA . 34072 1 625 . 1 1 77 77 ALA HB1 H 1 1.406 0.005 . 1 . . . . A 77 ALA MB . 34072 1 626 . 1 1 77 77 ALA HB2 H 1 1.406 0.005 . 1 . . . . A 77 ALA MB . 34072 1 627 . 1 1 77 77 ALA HB3 H 1 1.406 0.005 . 1 . . . . A 77 ALA MB . 34072 1 628 . 1 1 77 77 ALA CA C 13 50.646 0.02 . 1 . . . . A 77 ALA CA . 34072 1 629 . 1 1 77 77 ALA CB C 13 22.193 0.02 . 1 . . . . A 77 ALA CB . 34072 1 630 . 1 1 77 77 ALA N N 15 119.945 0.04 . 1 . . . . A 77 ALA N . 34072 1 631 . 1 1 78 78 ALA H H 1 8.403 0.005 . 1 . . . . A 78 ALA H . 34072 1 632 . 1 1 78 78 ALA HA H 1 4.128 0.005 . 1 . . . . A 78 ALA HA . 34072 1 633 . 1 1 78 78 ALA HB1 H 1 1.41 0.005 . 1 . . . . A 78 ALA MB . 34072 1 634 . 1 1 78 78 ALA HB2 H 1 1.41 0.005 . 1 . . . . A 78 ALA MB . 34072 1 635 . 1 1 78 78 ALA HB3 H 1 1.41 0.005 . 1 . . . . A 78 ALA MB . 34072 1 636 . 1 1 78 78 ALA CA C 13 53.791 0.02 . 1 . . . . A 78 ALA CA . 34072 1 637 . 1 1 78 78 ALA CB C 13 17.679 0.02 . 1 . . . . A 78 ALA CB . 34072 1 638 . 1 1 78 78 ALA N N 15 120.861 0.04 . 1 . . . . A 78 ALA N . 34072 1 639 . 1 1 79 79 GLY H H 1 8.594 0.005 . 1 . . . . A 79 GLY H . 34072 1 640 . 1 1 79 79 GLY HA2 H 1 3.852 0.005 . 2 . . . . A 79 GLY HA2 . 34072 1 641 . 1 1 79 79 GLY HA3 H 1 4.076 0.005 . 2 . . . . A 79 GLY HA3 . 34072 1 642 . 1 1 79 79 GLY CA C 13 45.744 0.02 . 1 . . . . A 79 GLY CA . 34072 1 643 . 1 1 79 79 GLY N N 15 109.144 0.04 . 1 . . . . A 79 GLY N . 34072 1 644 . 1 1 80 80 SER H H 1 8.294 0.005 . 1 . . . . A 80 SER H . 34072 1 645 . 1 1 80 80 SER HA H 1 4.613 0.005 . 1 . . . . A 80 SER HA . 34072 1 646 . 1 1 80 80 SER HB2 H 1 3.532 0.005 . 2 . . . . A 80 SER HB2 . 34072 1 647 . 1 1 80 80 SER HB3 H 1 3.694 0.005 . 2 . . . . A 80 SER HB3 . 34072 1 648 . 1 1 80 80 SER CA C 13 56.537 0.02 . 1 . . . . A 80 SER CA . 34072 1 649 . 1 1 80 80 SER CB C 13 63.417 0.02 . 1 . . . . A 80 SER CB . 34072 1 650 . 1 1 80 80 SER N N 15 115.773 0.04 . 1 . . . . A 80 SER N . 34072 1 651 . 1 1 81 81 CYS H H 1 8.688 0.005 . 1 . . . . A 81 CYS H . 34072 1 652 . 1 1 81 81 CYS HA H 1 4.992 0.005 . 1 . . . . A 81 CYS HA . 34072 1 653 . 1 1 81 81 CYS HB2 H 1 2.724 0.005 . 2 . . . . A 81 CYS HB2 . 34072 1 654 . 1 1 81 81 CYS HB3 H 1 2.834 0.005 . 2 . . . . A 81 CYS HB3 . 34072 1 655 . 1 1 81 81 CYS CA C 13 59.237 0.02 . 1 . . . . A 81 CYS CA . 34072 1 656 . 1 1 81 81 CYS CB C 13 29.889 0.02 . 1 . . . . A 81 CYS CB . 34072 1 657 . 1 1 81 81 CYS N N 15 126.988 0.04 . 1 . . . . A 81 CYS N . 34072 1 658 . 1 1 82 82 LYS H H 1 10.57 0.005 . 1 . . . . A 82 LYS H . 34072 1 659 . 1 1 82 82 LYS HA H 1 4.503 0.005 . 1 . . . . A 82 LYS HA . 34072 1 660 . 1 1 82 82 LYS HB2 H 1 1.872 0.005 . 2 . . . . A 82 LYS HB2 . 34072 1 661 . 1 1 82 82 LYS HB3 H 1 1.95 0.005 . 2 . . . . A 82 LYS HB3 . 34072 1 662 . 1 1 82 82 LYS HG2 H 1 1.538 0.005 . 2 . . . . A 82 LYS HG2 . 34072 1 663 . 1 1 82 82 LYS HG3 H 1 1.645 0.005 . 2 . . . . A 82 LYS HG3 . 34072 1 664 . 1 1 82 82 LYS HD2 H 1 1.655 0.005 . 2 . . . . A 82 LYS HD2 . 34072 1 665 . 1 1 82 82 LYS HD3 H 1 1.655 0.005 . 2 . . . . A 82 LYS HD3 . 34072 1 666 . 1 1 82 82 LYS HE2 H 1 3.004 0.005 . 2 . . . . A 82 LYS HE2 . 34072 1 667 . 1 1 82 82 LYS HE3 H 1 3.004 0.005 . 2 . . . . A 82 LYS HE3 . 34072 1 668 . 1 1 82 82 LYS CA C 13 56.299 0.02 . 1 . . . . A 82 LYS CA . 34072 1 669 . 1 1 82 82 LYS CB C 13 33.053 0.02 . 1 . . . . A 82 LYS CB . 34072 1 670 . 1 1 82 82 LYS CG C 13 24.492 0.02 . 1 . . . . A 82 LYS CG . 34072 1 671 . 1 1 82 82 LYS CD C 13 28.762 0.02 . 1 . . . . A 82 LYS CD . 34072 1 672 . 1 1 82 82 LYS CE C 13 41.974 0.02 . 1 . . . . A 82 LYS CE . 34072 1 673 . 1 1 82 82 LYS N N 15 135.355 0.04 . 1 . . . . A 82 LYS N . 34072 1 674 . 1 1 83 83 CYS H H 1 8.702 0.005 . 1 . . . . A 83 CYS H . 34072 1 675 . 1 1 83 83 CYS HA H 1 4.833 0.005 . 1 . . . . A 83 CYS HA . 34072 1 676 . 1 1 83 83 CYS HB2 H 1 2.551 0.005 . 2 . . . . A 83 CYS HB2 . 34072 1 677 . 1 1 83 83 CYS HB3 H 1 3.361 0.005 . 2 . . . . A 83 CYS HB3 . 34072 1 678 . 1 1 83 83 CYS CA C 13 58.165 0.02 . 1 . . . . A 83 CYS CA . 34072 1 679 . 1 1 83 83 CYS CB C 13 36.484 0.02 . 1 . . . . A 83 CYS CB . 34072 1 680 . 1 1 83 83 CYS N N 15 119.785 0.04 . 1 . . . . A 83 CYS N . 34072 1 681 . 1 1 84 84 GLY H H 1 8.622 0.005 . 1 . . . . A 84 GLY H . 34072 1 682 . 1 1 84 84 GLY HA2 H 1 3.862 0.005 . 2 . . . . A 84 GLY HA2 . 34072 1 683 . 1 1 84 84 GLY HA3 H 1 4.34 0.005 . 2 . . . . A 84 GLY HA3 . 34072 1 684 . 1 1 84 84 GLY CA C 13 45.241 0.02 . 1 . . . . A 84 GLY CA . 34072 1 685 . 1 1 84 84 GLY N N 15 116.745 0.04 . 1 . . . . A 84 GLY N . 34072 1 686 . 1 1 85 85 LYS H H 1 8.194 0.005 . 1 . . . . A 85 LYS H . 34072 1 687 . 1 1 85 85 LYS HA H 1 4.451 0.005 . 1 . . . . A 85 LYS HA . 34072 1 688 . 1 1 85 85 LYS HB2 H 1 1.942 0.005 . 2 . . . . A 85 LYS HB2 . 34072 1 689 . 1 1 85 85 LYS HB3 H 1 2.037 0.005 . 2 . . . . A 85 LYS HB3 . 34072 1 690 . 1 1 85 85 LYS HG2 H 1 1.461 0.005 . 2 . . . . A 85 LYS HG2 . 34072 1 691 . 1 1 85 85 LYS HG3 H 1 1.793 0.005 . 2 . . . . A 85 LYS HG3 . 34072 1 692 . 1 1 85 85 LYS HD2 H 1 1.681 0.005 . 2 . . . . A 85 LYS HD2 . 34072 1 693 . 1 1 85 85 LYS HD3 H 1 1.681 0.005 . 2 . . . . A 85 LYS HD3 . 34072 1 694 . 1 1 85 85 LYS HE2 H 1 3.085 0.005 . 2 . . . . A 85 LYS HE2 . 34072 1 695 . 1 1 85 85 LYS HE3 H 1 3.085 0.005 . 2 . . . . A 85 LYS HE3 . 34072 1 696 . 1 1 85 85 LYS CA C 13 55.992 0.02 . 1 . . . . A 85 LYS CA . 34072 1 697 . 1 1 85 85 LYS CB C 13 31.569 0.02 . 1 . . . . A 85 LYS CB . 34072 1 698 . 1 1 85 85 LYS CG C 13 25.054 0.02 . 1 . . . . A 85 LYS CG . 34072 1 699 . 1 1 85 85 LYS CD C 13 27.313 0.02 . 1 . . . . A 85 LYS CD . 34072 1 700 . 1 1 85 85 LYS CE C 13 42.03 0.02 . 1 . . . . A 85 LYS CE . 34072 1 701 . 1 1 85 85 LYS N N 15 120.014 0.04 . 1 . . . . A 85 LYS N . 34072 1 702 . 1 1 86 86 GLY H H 1 9.572 0.005 . 1 . . . . A 86 GLY H . 34072 1 703 . 1 1 86 86 GLY HA2 H 1 3.654 0.005 . 2 . . . . A 86 GLY HA2 . 34072 1 704 . 1 1 86 86 GLY HA3 H 1 4.533 0.005 . 2 . . . . A 86 GLY HA3 . 34072 1 705 . 1 1 86 86 GLY CA C 13 44.677 0.02 . 1 . . . . A 86 GLY CA . 34072 1 706 . 1 1 86 86 GLY N N 15 113.863 0.04 . 1 . . . . A 86 GLY N . 34072 1 707 . 1 1 87 87 CYS H H 1 7.619 0.005 . 1 . . . . A 87 CYS H . 34072 1 708 . 1 1 87 87 CYS HA H 1 4.404 0.005 . 1 . . . . A 87 CYS HA . 34072 1 709 . 1 1 87 87 CYS HB2 H 1 3.123 0.005 . 2 . . . . A 87 CYS HB2 . 34072 1 710 . 1 1 87 87 CYS HB3 H 1 3.812 0.005 . 2 . . . . A 87 CYS HB3 . 34072 1 711 . 1 1 87 87 CYS CA C 13 54.296 0.02 . 1 . . . . A 87 CYS CA . 34072 1 712 . 1 1 87 87 CYS CB C 13 32.678 0.02 . 1 . . . . A 87 CYS CB . 34072 1 713 . 1 1 87 87 CYS N N 15 118.049 0.04 . 1 . . . . A 87 CYS N . 34072 1 714 . 1 1 88 88 THR H H 1 8.489 0.005 . 1 . . . . A 88 THR H . 34072 1 715 . 1 1 88 88 THR HA H 1 4.164 0.005 . 1 . . . . A 88 THR HA . 34072 1 716 . 1 1 88 88 THR HB H 1 4.502 0.005 . 1 . . . . A 88 THR HB . 34072 1 717 . 1 1 88 88 THR HG21 H 1 1.016 0.005 . 1 . . . . A 88 THR MG . 34072 1 718 . 1 1 88 88 THR HG22 H 1 1.016 0.005 . 1 . . . . A 88 THR MG . 34072 1 719 . 1 1 88 88 THR HG23 H 1 1.016 0.005 . 1 . . . . A 88 THR MG . 34072 1 720 . 1 1 88 88 THR CA C 13 59.401 0.02 . 1 . . . . A 88 THR CA . 34072 1 721 . 1 1 88 88 THR CB C 13 67.996 0.02 . 1 . . . . A 88 THR CB . 34072 1 722 . 1 1 88 88 THR CG2 C 13 20.743 0.02 . 1 . . . . A 88 THR CG2 . 34072 1 723 . 1 1 88 88 THR N N 15 112.873 0.04 . 1 . . . . A 88 THR N . 34072 1 724 . 1 1 89 89 GLY H H 1 6.944 0.005 . 1 . . . . A 89 GLY H . 34072 1 725 . 1 1 89 89 GLY HA2 H 1 3.838 0.005 . 2 . . . . A 89 GLY HA2 . 34072 1 726 . 1 1 89 89 GLY HA3 H 1 4.626 0.005 . 2 . . . . A 89 GLY HA3 . 34072 1 727 . 1 1 89 89 GLY CA C 13 44.601 0.02 . 1 . . . . A 89 GLY CA . 34072 1 728 . 1 1 89 89 GLY N N 15 110.237 0.04 . 1 . . . . A 89 GLY N . 34072 1 729 . 1 1 90 90 PRO HA H 1 4.553 0.005 . 1 . . . . A 90 PRO HA . 34072 1 730 . 1 1 90 90 PRO HB2 H 1 2.012 0.005 . 2 . . . . A 90 PRO HB2 . 34072 1 731 . 1 1 90 90 PRO HB3 H 1 2.534 0.005 . 2 . . . . A 90 PRO HB3 . 34072 1 732 . 1 1 90 90 PRO HG2 H 1 2.167 0.005 . 2 . . . . A 90 PRO HG2 . 34072 1 733 . 1 1 90 90 PRO HG3 H 1 2.232 0.005 . 2 . . . . A 90 PRO HG3 . 34072 1 734 . 1 1 90 90 PRO HD2 H 1 3.761 0.005 . 2 . . . . A 90 PRO HD2 . 34072 1 735 . 1 1 90 90 PRO HD3 H 1 3.902 0.005 . 2 . . . . A 90 PRO HD3 . 34072 1 736 . 1 1 90 90 PRO CA C 13 65.388 0.02 . 1 . . . . A 90 PRO CA . 34072 1 737 . 1 1 90 90 PRO CB C 13 32.663 0.02 . 1 . . . . A 90 PRO CB . 34072 1 738 . 1 1 90 90 PRO CG C 13 27.567 0.02 . 1 . . . . A 90 PRO CG . 34072 1 739 . 1 1 90 90 PRO CD C 13 49.453 0.02 . 1 . . . . A 90 PRO CD . 34072 1 740 . 1 1 91 91 ASP H H 1 8.445 0.005 . 1 . . . . A 91 ASP H . 34072 1 741 . 1 1 91 91 ASP HA H 1 4.479 0.005 . 1 . . . . A 91 ASP HA . 34072 1 742 . 1 1 91 91 ASP HB2 H 1 2.607 0.005 . 2 . . . . A 91 ASP HB2 . 34072 1 743 . 1 1 91 91 ASP HB3 H 1 2.72 0.005 . 2 . . . . A 91 ASP HB3 . 34072 1 744 . 1 1 91 91 ASP CA C 13 55.628 0.02 . 1 . . . . A 91 ASP CA . 34072 1 745 . 1 1 91 91 ASP CB C 13 40.088 0.02 . 1 . . . . A 91 ASP CB . 34072 1 746 . 1 1 91 91 ASP N N 15 113.047 0.04 . 1 . . . . A 91 ASP N . 34072 1 747 . 1 1 92 92 SER H H 1 7.999 0.005 . 1 . . . . A 92 SER H . 34072 1 748 . 1 1 92 92 SER HA H 1 4.641 0.005 . 1 . . . . A 92 SER HA . 34072 1 749 . 1 1 92 92 SER HB2 H 1 3.655 0.005 . 2 . . . . A 92 SER HB2 . 34072 1 750 . 1 1 92 92 SER HB3 H 1 4.131 0.005 . 2 . . . . A 92 SER HB3 . 34072 1 751 . 1 1 92 92 SER CA C 13 56.936 0.02 . 1 . . . . A 92 SER CA . 34072 1 752 . 1 1 92 92 SER CB C 13 64.991 0.02 . 1 . . . . A 92 SER CB . 34072 1 753 . 1 1 92 92 SER N N 15 110.649 0.04 . 1 . . . . A 92 SER N . 34072 1 754 . 1 1 93 93 CYS H H 1 7.211 0.005 . 1 . . . . A 93 CYS H . 34072 1 755 . 1 1 93 93 CYS HA H 1 4.283 0.005 . 1 . . . . A 93 CYS HA . 34072 1 756 . 1 1 93 93 CYS HB2 H 1 2.875 0.005 . 2 . . . . A 93 CYS HB2 . 34072 1 757 . 1 1 93 93 CYS HB3 H 1 2.875 0.005 . 2 . . . . A 93 CYS HB3 . 34072 1 758 . 1 1 93 93 CYS CA C 13 62.619 0.02 . 1 . . . . A 93 CYS CA . 34072 1 759 . 1 1 93 93 CYS CB C 13 31.745 0.02 . 1 . . . . A 93 CYS CB . 34072 1 760 . 1 1 93 93 CYS N N 15 125.597 0.04 . 1 . . . . A 93 CYS N . 34072 1 761 . 1 1 94 94 LYS H H 1 9.659 0.005 . 1 . . . . A 94 LYS H . 34072 1 762 . 1 1 94 94 LYS HA H 1 4.75 0.005 . 1 . . . . A 94 LYS HA . 34072 1 763 . 1 1 94 94 LYS HB2 H 1 1.705 0.005 . 2 . . . . A 94 LYS HB2 . 34072 1 764 . 1 1 94 94 LYS HB3 H 1 2.192 0.005 . 2 . . . . A 94 LYS HB3 . 34072 1 765 . 1 1 94 94 LYS HG2 H 1 1.457 0.005 . 2 . . . . A 94 LYS HG2 . 34072 1 766 . 1 1 94 94 LYS HG3 H 1 1.457 0.005 . 2 . . . . A 94 LYS HG3 . 34072 1 767 . 1 1 94 94 LYS HD2 H 1 1.689 0.005 . 2 . . . . A 94 LYS HD2 . 34072 1 768 . 1 1 94 94 LYS HD3 H 1 1.744 0.005 . 2 . . . . A 94 LYS HD3 . 34072 1 769 . 1 1 94 94 LYS HE2 H 1 2.982 0.005 . 2 . . . . A 94 LYS HE2 . 34072 1 770 . 1 1 94 94 LYS HE3 H 1 2.982 0.005 . 2 . . . . A 94 LYS HE3 . 34072 1 771 . 1 1 94 94 LYS CA C 13 54.909 0.02 . 1 . . . . A 94 LYS CA . 34072 1 772 . 1 1 94 94 LYS CB C 13 33.028 0.02 . 1 . . . . A 94 LYS CB . 34072 1 773 . 1 1 94 94 LYS CG C 13 24.262 0.02 . 1 . . . . A 94 LYS CG . 34072 1 774 . 1 1 94 94 LYS CD C 13 28.952 0.02 . 1 . . . . A 94 LYS CD . 34072 1 775 . 1 1 94 94 LYS CE C 13 42.25 0.02 . 1 . . . . A 94 LYS CE . 34072 1 776 . 1 1 94 94 LYS N N 15 130.061 0.04 . 1 . . . . A 94 LYS N . 34072 1 777 . 1 1 95 95 CYS H H 1 9.408 0.005 . 1 . . . . A 95 CYS H . 34072 1 778 . 1 1 95 95 CYS HA H 1 4.199 0.005 . 1 . . . . A 95 CYS HA . 34072 1 779 . 1 1 95 95 CYS HB2 H 1 2.512 0.005 . 2 . . . . A 95 CYS HB2 . 34072 1 780 . 1 1 95 95 CYS HB3 H 1 3.174 0.005 . 2 . . . . A 95 CYS HB3 . 34072 1 781 . 1 1 95 95 CYS CA C 13 62.007 0.02 . 1 . . . . A 95 CYS CA . 34072 1 782 . 1 1 95 95 CYS CB C 13 31.787 0.02 . 1 . . . . A 95 CYS CB . 34072 1 783 . 1 1 95 95 CYS N N 15 125.223 0.04 . 1 . . . . A 95 CYS N . 34072 1 784 . 1 1 96 96 ASP H H 1 8.289 0.005 . 1 . . . . A 96 ASP H . 34072 1 785 . 1 1 96 96 ASP HA H 1 4.955 0.005 . 1 . . . . A 96 ASP HA . 34072 1 786 . 1 1 96 96 ASP HB2 H 1 2.383 0.005 . 2 . . . . A 96 ASP HB2 . 34072 1 787 . 1 1 96 96 ASP HB3 H 1 3.137 0.005 . 2 . . . . A 96 ASP HB3 . 34072 1 788 . 1 1 96 96 ASP CA C 13 52.074 0.02 . 1 . . . . A 96 ASP CA . 34072 1 789 . 1 1 96 96 ASP CB C 13 40.844 0.02 . 1 . . . . A 96 ASP CB . 34072 1 790 . 1 1 96 96 ASP N N 15 119.227 0.04 . 1 . . . . A 96 ASP N . 34072 1 791 . 1 1 97 97 ARG H H 1 7.345 0.005 . 1 . . . . A 97 ARG H . 34072 1 792 . 1 1 97 97 ARG HA H 1 3.96 0.005 . 1 . . . . A 97 ARG HA . 34072 1 793 . 1 1 97 97 ARG HB2 H 1 2.033 0.005 . 2 . . . . A 97 ARG HB2 . 34072 1 794 . 1 1 97 97 ARG HB3 H 1 2.033 0.005 . 2 . . . . A 97 ARG HB3 . 34072 1 795 . 1 1 97 97 ARG HG2 H 1 1.658 0.005 . 2 . . . . A 97 ARG HG2 . 34072 1 796 . 1 1 97 97 ARG HG3 H 1 2.204 0.005 . 2 . . . . A 97 ARG HG3 . 34072 1 797 . 1 1 97 97 ARG HD2 H 1 3.216 0.005 . 2 . . . . A 97 ARG HD2 . 34072 1 798 . 1 1 97 97 ARG HD3 H 1 3.258 0.005 . 2 . . . . A 97 ARG HD3 . 34072 1 799 . 1 1 97 97 ARG CA C 13 58.511 0.02 . 1 . . . . A 97 ARG CA . 34072 1 800 . 1 1 97 97 ARG CB C 13 30.021 0.02 . 1 . . . . A 97 ARG CB . 34072 1 801 . 1 1 97 97 ARG CG C 13 27.572 0.02 . 1 . . . . A 97 ARG CG . 34072 1 802 . 1 1 97 97 ARG CD C 13 43.717 0.02 . 1 . . . . A 97 ARG CD . 34072 1 803 . 1 1 97 97 ARG N N 15 111.868 0.04 . 1 . . . . A 97 ARG N . 34072 1 804 . 1 1 98 98 SER H H 1 8.656 0.005 . 1 . . . . A 98 SER H . 34072 1 805 . 1 1 98 98 SER HA H 1 4.443 0.005 . 1 . . . . A 98 SER HA . 34072 1 806 . 1 1 98 98 SER HB2 H 1 3.789 0.005 . 2 . . . . A 98 SER HB2 . 34072 1 807 . 1 1 98 98 SER HB3 H 1 3.973 0.005 . 2 . . . . A 98 SER HB3 . 34072 1 808 . 1 1 98 98 SER CA C 13 58.446 0.02 . 1 . . . . A 98 SER CA . 34072 1 809 . 1 1 98 98 SER CB C 13 64.168 0.02 . 1 . . . . A 98 SER CB . 34072 1 810 . 1 1 98 98 SER N N 15 114.399 0.04 . 1 . . . . A 98 SER N . 34072 1 811 . 1 1 99 99 CYS H H 1 7.227 0.005 . 1 . . . . A 99 CYS H . 34072 1 812 . 1 1 99 99 CYS HA H 1 4.159 0.005 . 1 . . . . A 99 CYS HA . 34072 1 813 . 1 1 99 99 CYS HB2 H 1 2.951 0.005 . 2 . . . . A 99 CYS HB2 . 34072 1 814 . 1 1 99 99 CYS HB3 H 1 3.155 0.005 . 2 . . . . A 99 CYS HB3 . 34072 1 815 . 1 1 99 99 CYS CA C 13 61.314 0.02 . 1 . . . . A 99 CYS CA . 34072 1 816 . 1 1 99 99 CYS CB C 13 29.597 0.02 . 1 . . . . A 99 CYS CB . 34072 1 817 . 1 1 99 99 CYS N N 15 124.371 0.04 . 1 . . . . A 99 CYS N . 34072 1 818 . 1 1 100 100 SER H H 1 8.461 0.005 . 1 . . . . A 100 SER H . 34072 1 819 . 1 1 100 100 SER HA H 1 4.433 0.005 . 1 . . . . A 100 SER HA . 34072 1 820 . 1 1 100 100 SER HB2 H 1 3.974 0.005 . 2 . . . . A 100 SER HB2 . 34072 1 821 . 1 1 100 100 SER HB3 H 1 4.093 0.005 . 2 . . . . A 100 SER HB3 . 34072 1 822 . 1 1 100 100 SER CA C 13 60.29 0.02 . 1 . . . . A 100 SER CA . 34072 1 823 . 1 1 100 100 SER CB C 13 62.761 0.02 . 1 . . . . A 100 SER CB . 34072 1 824 . 1 1 100 100 SER N N 15 124.08 0.04 . 1 . . . . A 100 SER N . 34072 1 825 . 1 1 101 101 CYS H H 1 7.482 0.005 . 1 . . . . A 101 CYS H . 34072 1 826 . 1 1 101 101 CYS HA H 1 4.795 0.005 . 1 . . . . A 101 CYS HA . 34072 1 827 . 1 1 101 101 CYS HB2 H 1 3.073 0.005 . 2 . . . . A 101 CYS HB2 . 34072 1 828 . 1 1 101 101 CYS HB3 H 1 4.471 0.005 . 2 . . . . A 101 CYS HB3 . 34072 1 829 . 1 1 101 101 CYS CA C 13 58.145 0.02 . 1 . . . . A 101 CYS CA . 34072 1 830 . 1 1 101 101 CYS CB C 13 33.989 0.02 . 1 . . . . A 101 CYS CB . 34072 1 831 . 1 1 101 101 CYS N N 15 118.311 0.04 . 1 . . . . A 101 CYS N . 34072 1 832 . 1 1 102 102 LYS H H 1 7.103 0.005 . 1 . . . . A 102 LYS H . 34072 1 833 . 1 1 102 102 LYS HA H 1 4.331 0.005 . 1 . . . . A 102 LYS HA . 34072 1 834 . 1 1 102 102 LYS HB2 H 1 1.612 0.005 . 2 . . . . A 102 LYS HB2 . 34072 1 835 . 1 1 102 102 LYS HB3 H 1 1.811 0.005 . 2 . . . . A 102 LYS HB3 . 34072 1 836 . 1 1 102 102 LYS HG2 H 1 1.365 0.005 . 2 . . . . A 102 LYS HG2 . 34072 1 837 . 1 1 102 102 LYS HG3 H 1 1.716 0.005 . 2 . . . . A 102 LYS HG3 . 34072 1 838 . 1 1 102 102 LYS HD2 H 1 1.309 0.005 . 2 . . . . A 102 LYS HD2 . 34072 1 839 . 1 1 102 102 LYS HD3 H 1 1.47 0.005 . 2 . . . . A 102 LYS HD3 . 34072 1 840 . 1 1 102 102 LYS HE2 H 1 2.6 0.005 . 2 . . . . A 102 LYS HE2 . 34072 1 841 . 1 1 102 102 LYS CA C 13 55.848 0.02 . 1 . . . . A 102 LYS CA . 34072 1 842 . 1 1 102 102 LYS CB C 13 33.087 0.02 . 1 . . . . A 102 LYS CB . 34072 1 843 . 1 1 102 102 LYS CG C 13 23.887 0.02 . 1 . . . . A 102 LYS CG . 34072 1 844 . 1 1 102 102 LYS CD C 13 29.299 0.02 . 1 . . . . A 102 LYS CD . 34072 1 845 . 1 1 102 102 LYS CE C 13 43.437 0.02 . 1 . . . . A 102 LYS CE . 34072 1 846 . 1 1 102 102 LYS N N 15 125.761 0.04 . 1 . . . . A 102 LYS N . 34072 1 stop_ save_