################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17036 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17036 1 3 '3D 1H-13C-15N SIMUTANEOUS NOESY' . . . 17036 1 5 '3D HNCACB' . . . 17036 1 6 '3D CBCA(CO)NH' . . . 17036 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $AutoAssign . . 17036 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 11 11 MET HA H 1 4.389 0.020 . 1 . . . . . 11 MET HA . 17036 1 2 . 1 1 11 11 MET HB2 H 1 1.886 0.020 . 2 . . . . . 11 MET HB2 . 17036 1 3 . 1 1 11 11 MET HB3 H 1 1.982 0.020 . 2 . . . . . 11 MET HB3 . 17036 1 4 . 1 1 11 11 MET HE1 H 1 1.982 0.020 . 1 . . . . . 11 MET HE . 17036 1 5 . 1 1 11 11 MET HE2 H 1 1.982 0.020 . 1 . . . . . 11 MET HE . 17036 1 6 . 1 1 11 11 MET HE3 H 1 1.982 0.020 . 1 . . . . . 11 MET HE . 17036 1 7 . 1 1 11 11 MET HG2 H 1 2.345 0.020 . 2 . . . . . 11 MET HG2 . 17036 1 8 . 1 1 11 11 MET HG3 H 1 2.396 0.020 . 2 . . . . . 11 MET HG3 . 17036 1 9 . 1 1 11 11 MET CA C 13 55.352 0.400 . 1 . . . . . 11 MET CA . 17036 1 10 . 1 1 11 11 MET CB C 13 32.659 0.400 . 1 . . . . . 11 MET CB . 17036 1 11 . 1 1 11 11 MET CE C 13 17.007 0.400 . 1 . . . . . 11 MET CE . 17036 1 12 . 1 1 11 11 MET CG C 13 31.636 0.400 . 1 . . . . . 11 MET CG . 17036 1 13 . 1 1 12 12 VAL H H 1 8.037 0.020 . 1 . . . . . 12 VAL H . 17036 1 14 . 1 1 12 12 VAL HA H 1 4.042 0.020 . 1 . . . . . 12 VAL HA . 17036 1 15 . 1 1 12 12 VAL HB H 1 2.010 0.020 . 1 . . . . . 12 VAL HB . 17036 1 16 . 1 1 12 12 VAL HG11 H 1 0.872 0.020 . 2 . . . . . 12 VAL HG1 . 17036 1 17 . 1 1 12 12 VAL HG12 H 1 0.872 0.020 . 2 . . . . . 12 VAL HG1 . 17036 1 18 . 1 1 12 12 VAL HG13 H 1 0.872 0.020 . 2 . . . . . 12 VAL HG1 . 17036 1 19 . 1 1 12 12 VAL HG21 H 1 0.870 0.020 . 2 . . . . . 12 VAL HG2 . 17036 1 20 . 1 1 12 12 VAL HG22 H 1 0.870 0.020 . 2 . . . . . 12 VAL HG2 . 17036 1 21 . 1 1 12 12 VAL HG23 H 1 0.870 0.020 . 2 . . . . . 12 VAL HG2 . 17036 1 22 . 1 1 12 12 VAL CA C 13 61.713 0.400 . 1 . . . . . 12 VAL CA . 17036 1 23 . 1 1 12 12 VAL CB C 13 32.461 0.400 . 1 . . . . . 12 VAL CB . 17036 1 24 . 1 1 12 12 VAL CG1 C 13 20.926 0.400 . 1 . . . . . 12 VAL CG1 . 17036 1 25 . 1 1 12 12 VAL CG2 C 13 20.106 0.400 . 1 . . . . . 12 VAL CG2 . 17036 1 26 . 1 1 12 12 VAL N N 15 121.255 0.400 . 1 . . . . . 12 VAL N . 17036 1 27 . 1 1 13 13 ALA H H 1 8.297 0.020 . 1 . . . . . 13 ALA H . 17036 1 28 . 1 1 13 13 ALA HA H 1 4.275 0.020 . 1 . . . . . 13 ALA HA . 17036 1 29 . 1 1 13 13 ALA HB1 H 1 1.292 0.020 . 1 . . . . . 13 ALA HB . 17036 1 30 . 1 1 13 13 ALA HB2 H 1 1.292 0.020 . 1 . . . . . 13 ALA HB . 17036 1 31 . 1 1 13 13 ALA HB3 H 1 1.292 0.020 . 1 . . . . . 13 ALA HB . 17036 1 32 . 1 1 13 13 ALA CA C 13 51.796 0.400 . 1 . . . . . 13 ALA CA . 17036 1 33 . 1 1 13 13 ALA CB C 13 19.126 0.400 . 1 . . . . . 13 ALA CB . 17036 1 34 . 1 1 13 13 ALA N N 15 127.580 0.400 . 1 . . . . . 13 ALA N . 17036 1 35 . 1 1 14 14 ASN H H 1 8.149 0.020 . 1 . . . . . 14 ASN H . 17036 1 36 . 1 1 14 14 ASN HA H 1 4.947 0.020 . 1 . . . . . 14 ASN HA . 17036 1 37 . 1 1 14 14 ASN HB2 H 1 2.661 0.020 . 2 . . . . . 14 ASN HB2 . 17036 1 38 . 1 1 14 14 ASN HB3 H 1 2.465 0.020 . 2 . . . . . 14 ASN HB3 . 17036 1 39 . 1 1 14 14 ASN HD21 H 1 7.627 0.020 . 2 . . . . . 14 ASN HD21 . 17036 1 40 . 1 1 14 14 ASN HD22 H 1 7.150 0.020 . 2 . . . . . 14 ASN HD22 . 17036 1 41 . 1 1 14 14 ASN CA C 13 51.460 0.400 . 1 . . . . . 14 ASN CA . 17036 1 42 . 1 1 14 14 ASN CB C 13 39.045 0.400 . 1 . . . . . 14 ASN CB . 17036 1 43 . 1 1 14 14 ASN N N 15 119.052 0.400 . 1 . . . . . 14 ASN N . 17036 1 44 . 1 1 14 14 ASN ND2 N 15 21.038 0.400 . 1 . . . . . 14 ASN ND2 . 17036 1 45 . 1 1 15 15 PRO HA H 1 4.646 0.020 . 1 . . . . . 15 PRO HA . 17036 1 46 . 1 1 15 15 PRO HB2 H 1 2.357 0.020 . 2 . . . . . 15 PRO HB2 . 17036 1 47 . 1 1 15 15 PRO HB3 H 1 1.871 0.020 . 2 . . . . . 15 PRO HB3 . 17036 1 48 . 1 1 15 15 PRO HD2 H 1 3.789 0.020 . 2 . . . . . 15 PRO HD2 . 17036 1 49 . 1 1 15 15 PRO HD3 H 1 3.629 0.020 . 2 . . . . . 15 PRO HD3 . 17036 1 50 . 1 1 15 15 PRO HG2 H 1 1.989 0.020 . 2 . . . . . 15 PRO HG2 . 17036 1 51 . 1 1 15 15 PRO HG3 H 1 1.989 0.020 . 2 . . . . . 15 PRO HG3 . 17036 1 52 . 1 1 15 15 PRO CB C 13 30.181 0.400 . 1 . . . . . 15 PRO CB . 17036 1 53 . 1 1 15 15 PRO CD C 13 50.585 0.400 . 1 . . . . . 15 PRO CD . 17036 1 54 . 1 1 15 15 PRO CG C 13 27.140 0.400 . 1 . . . . . 15 PRO CG . 17036 1 55 . 1 1 16 16 PRO HA H 1 3.915 0.020 . 1 . . . . . 16 PRO HA . 17036 1 56 . 1 1 16 16 PRO HB2 H 1 2.100 0.020 . 2 . . . . . 16 PRO HB2 . 17036 1 57 . 1 1 16 16 PRO HB3 H 1 1.665 0.020 . 2 . . . . . 16 PRO HB3 . 17036 1 58 . 1 1 16 16 PRO HD2 H 1 3.702 0.020 . 2 . . . . . 16 PRO HD2 . 17036 1 59 . 1 1 16 16 PRO HD3 H 1 3.529 0.020 . 2 . . . . . 16 PRO HD3 . 17036 1 60 . 1 1 16 16 PRO HG2 H 1 1.913 0.020 . 2 . . . . . 16 PRO HG2 . 17036 1 61 . 1 1 16 16 PRO HG3 H 1 1.782 0.020 . 2 . . . . . 16 PRO HG3 . 17036 1 62 . 1 1 16 16 PRO CA C 13 62.630 0.400 . 1 . . . . . 16 PRO CA . 17036 1 63 . 1 1 16 16 PRO CB C 13 32.378 0.400 . 1 . . . . . 16 PRO CB . 17036 1 64 . 1 1 16 16 PRO CD C 13 50.280 0.400 . 1 . . . . . 16 PRO CD . 17036 1 65 . 1 1 16 16 PRO CG C 13 27.140 0.400 . 1 . . . . . 16 PRO CG . 17036 1 66 . 1 1 17 17 ALA H H 1 7.961 0.020 . 1 . . . . . 17 ALA H . 17036 1 67 . 1 1 17 17 ALA HA H 1 4.466 0.020 . 1 . . . . . 17 ALA HA . 17036 1 68 . 1 1 17 17 ALA HB1 H 1 1.541 0.020 . 1 . . . . . 17 ALA HB . 17036 1 69 . 1 1 17 17 ALA HB2 H 1 1.541 0.020 . 1 . . . . . 17 ALA HB . 17036 1 70 . 1 1 17 17 ALA HB3 H 1 1.541 0.020 . 1 . . . . . 17 ALA HB . 17036 1 71 . 1 1 17 17 ALA CA C 13 50.921 0.400 . 1 . . . . . 17 ALA CA . 17036 1 72 . 1 1 17 17 ALA CB C 13 20.391 0.400 . 1 . . . . . 17 ALA CB . 17036 1 73 . 1 1 17 17 ALA N N 15 124.460 0.400 . 1 . . . . . 17 ALA N . 17036 1 74 . 1 1 18 18 SER H H 1 8.302 0.020 . 1 . . . . . 18 SER H . 17036 1 75 . 1 1 18 18 SER HA H 1 4.256 0.020 . 1 . . . . . 18 SER HA . 17036 1 76 . 1 1 18 18 SER HB2 H 1 4.053 0.020 . 2 . . . . . 18 SER HB2 . 17036 1 77 . 1 1 18 18 SER HB3 H 1 4.065 0.020 . 2 . . . . . 18 SER HB3 . 17036 1 78 . 1 1 18 18 SER CA C 13 56.713 0.400 . 1 . . . . . 18 SER CA . 17036 1 79 . 1 1 18 18 SER CB C 13 64.255 0.400 . 1 . . . . . 18 SER CB . 17036 1 80 . 1 1 18 18 SER N N 15 115.667 0.400 . 1 . . . . . 18 SER N . 17036 1 81 . 1 1 19 19 LYS H H 1 8.843 0.020 . 1 . . . . . 19 LYS H . 17036 1 82 . 1 1 19 19 LYS HA H 1 3.856 0.020 . 1 . . . . . 19 LYS HA . 17036 1 83 . 1 1 19 19 LYS HB2 H 1 1.884 0.020 . 2 . . . . . 19 LYS HB2 . 17036 1 84 . 1 1 19 19 LYS HB3 H 1 1.730 0.020 . 2 . . . . . 19 LYS HB3 . 17036 1 85 . 1 1 19 19 LYS HD2 H 1 1.687 0.020 . 2 . . . . . 19 LYS HD2 . 17036 1 86 . 1 1 19 19 LYS HD3 H 1 1.576 0.020 . 2 . . . . . 19 LYS HD3 . 17036 1 87 . 1 1 19 19 LYS HE2 H 1 2.980 0.020 . 2 . . . . . 19 LYS HE2 . 17036 1 88 . 1 1 19 19 LYS HE3 H 1 2.991 0.020 . 2 . . . . . 19 LYS HE3 . 17036 1 89 . 1 1 19 19 LYS HG2 H 1 1.426 0.020 . 2 . . . . . 19 LYS HG2 . 17036 1 90 . 1 1 19 19 LYS HG3 H 1 1.380 0.020 . 2 . . . . . 19 LYS HG3 . 17036 1 91 . 1 1 19 19 LYS CA C 13 59.438 0.400 . 1 . . . . . 19 LYS CA . 17036 1 92 . 1 1 19 19 LYS CB C 13 31.961 0.400 . 1 . . . . . 19 LYS CB . 17036 1 93 . 1 1 19 19 LYS CD C 13 28.780 0.400 . 1 . . . . . 19 LYS CD . 17036 1 94 . 1 1 19 19 LYS CE C 13 41.780 0.400 . 1 . . . . . 19 LYS CE . 17036 1 95 . 1 1 19 19 LYS CG C 13 24.362 0.400 . 1 . . . . . 19 LYS CG . 17036 1 96 . 1 1 19 19 LYS N N 15 123.666 0.400 . 1 . . . . . 19 LYS N . 17036 1 97 . 1 1 20 20 GLU H H 1 8.892 0.020 . 1 . . . . . 20 GLU H . 17036 1 98 . 1 1 20 20 GLU HA H 1 4.023 0.020 . 1 . . . . . 20 GLU HA . 17036 1 99 . 1 1 20 20 GLU HB2 H 1 1.896 0.020 . 2 . . . . . 20 GLU HB2 . 17036 1 100 . 1 1 20 20 GLU HB3 H 1 2.012 0.020 . 2 . . . . . 20 GLU HB3 . 17036 1 101 . 1 1 20 20 GLU HG2 H 1 2.394 0.020 . 2 . . . . . 20 GLU HG2 . 17036 1 102 . 1 1 20 20 GLU HG3 H 1 2.262 0.020 . 2 . . . . . 20 GLU HG3 . 17036 1 103 . 1 1 20 20 GLU CA C 13 60.003 0.400 . 1 . . . . . 20 GLU CA . 17036 1 104 . 1 1 20 20 GLU CB C 13 28.424 0.400 . 1 . . . . . 20 GLU CB . 17036 1 105 . 1 1 20 20 GLU CG C 13 36.671 0.400 . 1 . . . . . 20 GLU CG . 17036 1 106 . 1 1 20 20 GLU N N 15 116.465 0.400 . 1 . . . . . 20 GLU N . 17036 1 107 . 1 1 21 21 SER H H 1 7.974 0.020 . 1 . . . . . 21 SER H . 17036 1 108 . 1 1 21 21 SER HA H 1 4.127 0.020 . 1 . . . . . 21 SER HA . 17036 1 109 . 1 1 21 21 SER HB2 H 1 3.765 0.020 . 2 . . . . . 21 SER HB2 . 17036 1 110 . 1 1 21 21 SER HB3 H 1 3.765 0.020 . 2 . . . . . 21 SER HB3 . 17036 1 111 . 1 1 21 21 SER CA C 13 61.598 0.400 . 1 . . . . . 21 SER CA . 17036 1 112 . 1 1 21 21 SER CB C 13 62.581 0.400 . 1 . . . . . 21 SER CB . 17036 1 113 . 1 1 21 21 SER N N 15 117.254 0.400 . 1 . . . . . 21 SER N . 17036 1 114 . 1 1 22 22 ILE H H 1 7.616 0.020 . 1 . . . . . 22 ILE H . 17036 1 115 . 1 1 22 22 ILE HA H 1 3.640 0.020 . 1 . . . . . 22 ILE HA . 17036 1 116 . 1 1 22 22 ILE HB H 1 1.859 0.020 . 1 . . . . . 22 ILE HB . 17036 1 117 . 1 1 22 22 ILE HD11 H 1 0.754 0.020 . 1 . . . . . 22 ILE HD1 . 17036 1 118 . 1 1 22 22 ILE HD12 H 1 0.754 0.020 . 1 . . . . . 22 ILE HD1 . 17036 1 119 . 1 1 22 22 ILE HD13 H 1 0.754 0.020 . 1 . . . . . 22 ILE HD1 . 17036 1 120 . 1 1 22 22 ILE HG12 H 1 1.911 0.020 . 2 . . . . . 22 ILE HG12 . 17036 1 121 . 1 1 22 22 ILE HG13 H 1 0.737 0.020 . 2 . . . . . 22 ILE HG13 . 17036 1 122 . 1 1 22 22 ILE HG21 H 1 0.917 0.020 . 1 . . . . . 22 ILE HG2 . 17036 1 123 . 1 1 22 22 ILE HG22 H 1 0.917 0.020 . 1 . . . . . 22 ILE HG2 . 17036 1 124 . 1 1 22 22 ILE HG23 H 1 0.917 0.020 . 1 . . . . . 22 ILE HG2 . 17036 1 125 . 1 1 22 22 ILE CA C 13 64.608 0.400 . 1 . . . . . 22 ILE CA . 17036 1 126 . 1 1 22 22 ILE CB C 13 38.499 0.400 . 1 . . . . . 22 ILE CB . 17036 1 127 . 1 1 22 22 ILE CD1 C 13 14.409 0.400 . 1 . . . . . 22 ILE CD1 . 17036 1 128 . 1 1 22 22 ILE CG1 C 13 28.701 0.400 . 1 . . . . . 22 ILE CG1 . 17036 1 129 . 1 1 22 22 ILE CG2 C 13 17.529 0.400 . 1 . . . . . 22 ILE CG2 . 17036 1 130 . 1 1 22 22 ILE N N 15 124.679 0.400 . 1 . . . . . 22 ILE N . 17036 1 131 . 1 1 23 23 ASP H H 1 8.778 0.020 . 1 . . . . . 23 ASP H . 17036 1 132 . 1 1 23 23 ASP HA H 1 4.321 0.020 . 1 . . . . . 23 ASP HA . 17036 1 133 . 1 1 23 23 ASP HB2 H 1 2.649 0.020 . 2 . . . . . 23 ASP HB2 . 17036 1 134 . 1 1 23 23 ASP HB3 H 1 2.618 0.020 . 2 . . . . . 23 ASP HB3 . 17036 1 135 . 1 1 23 23 ASP CA C 13 56.755 0.400 . 1 . . . . . 23 ASP CA . 17036 1 136 . 1 1 23 23 ASP CB C 13 39.878 0.400 . 1 . . . . . 23 ASP CB . 17036 1 137 . 1 1 23 23 ASP N N 15 120.247 0.400 . 1 . . . . . 23 ASP N . 17036 1 138 . 1 1 24 24 ALA H H 1 7.181 0.020 . 1 . . . . . 24 ALA H . 17036 1 139 . 1 1 24 24 ALA HA H 1 4.271 0.020 . 1 . . . . . 24 ALA HA . 17036 1 140 . 1 1 24 24 ALA HB1 H 1 1.473 0.020 . 1 . . . . . 24 ALA HB . 17036 1 141 . 1 1 24 24 ALA HB2 H 1 1.473 0.020 . 1 . . . . . 24 ALA HB . 17036 1 142 . 1 1 24 24 ALA HB3 H 1 1.473 0.020 . 1 . . . . . 24 ALA HB . 17036 1 143 . 1 1 24 24 ALA CA C 13 52.076 0.400 . 1 . . . . . 24 ALA CA . 17036 1 144 . 1 1 24 24 ALA CB C 13 18.752 0.400 . 1 . . . . . 24 ALA CB . 17036 1 145 . 1 1 24 24 ALA N N 15 118.293 0.400 . 1 . . . . . 24 ALA N . 17036 1 146 . 1 1 25 25 LEU H H 1 7.489 0.020 . 1 . . . . . 25 LEU H . 17036 1 147 . 1 1 25 25 LEU HA H 1 4.344 0.020 . 1 . . . . . 25 LEU HA . 17036 1 148 . 1 1 25 25 LEU HB2 H 1 1.630 0.020 . 2 . . . . . 25 LEU HB2 . 17036 1 149 . 1 1 25 25 LEU HB3 H 1 2.003 0.020 . 2 . . . . . 25 LEU HB3 . 17036 1 150 . 1 1 25 25 LEU HD11 H 1 0.577 0.020 . 2 . . . . . 25 LEU HD1 . 17036 1 151 . 1 1 25 25 LEU HD12 H 1 0.577 0.020 . 2 . . . . . 25 LEU HD1 . 17036 1 152 . 1 1 25 25 LEU HD13 H 1 0.577 0.020 . 2 . . . . . 25 LEU HD1 . 17036 1 153 . 1 1 25 25 LEU HD21 H 1 0.898 0.020 . 2 . . . . . 25 LEU HD2 . 17036 1 154 . 1 1 25 25 LEU HD22 H 1 0.898 0.020 . 2 . . . . . 25 LEU HD2 . 17036 1 155 . 1 1 25 25 LEU HD23 H 1 0.898 0.020 . 2 . . . . . 25 LEU HD2 . 17036 1 156 . 1 1 25 25 LEU HG H 1 2.137 0.020 . 1 . . . . . 25 LEU HG . 17036 1 157 . 1 1 25 25 LEU CA C 13 53.879 0.400 . 1 . . . . . 25 LEU CA . 17036 1 158 . 1 1 25 25 LEU CB C 13 39.852 0.400 . 1 . . . . . 25 LEU CB . 17036 1 159 . 1 1 25 25 LEU CD1 C 13 25.325 0.400 . 1 . . . . . 25 LEU CD1 . 17036 1 160 . 1 1 25 25 LEU CD2 C 13 23.260 0.400 . 1 . . . . . 25 LEU CD2 . 17036 1 161 . 1 1 25 25 LEU CG C 13 26.625 0.400 . 1 . . . . . 25 LEU CG . 17036 1 162 . 1 1 25 25 LEU N N 15 122.684 0.400 . 1 . . . . . 25 LEU N . 17036 1 163 . 1 1 26 26 PRO HA H 1 4.394 0.020 . 1 . . . . . 26 PRO HA . 17036 1 164 . 1 1 26 26 PRO HB2 H 1 1.874 0.020 . 2 . . . . . 26 PRO HB2 . 17036 1 165 . 1 1 26 26 PRO HB3 H 1 2.374 0.020 . 2 . . . . . 26 PRO HB3 . 17036 1 166 . 1 1 26 26 PRO HD2 H 1 3.864 0.020 . 2 . . . . . 26 PRO HD2 . 17036 1 167 . 1 1 26 26 PRO HD3 H 1 3.863 0.020 . 2 . . . . . 26 PRO HD3 . 17036 1 168 . 1 1 26 26 PRO HG2 H 1 2.121 0.020 . 2 . . . . . 26 PRO HG2 . 17036 1 169 . 1 1 26 26 PRO HG3 H 1 2.253 0.020 . 2 . . . . . 26 PRO HG3 . 17036 1 170 . 1 1 26 26 PRO CA C 13 62.713 0.400 . 1 . . . . . 26 PRO CA . 17036 1 171 . 1 1 26 26 PRO CB C 13 32.567 0.400 . 1 . . . . . 26 PRO CB . 17036 1 172 . 1 1 26 26 PRO CD C 13 50.280 0.400 . 1 . . . . . 26 PRO CD . 17036 1 173 . 1 1 26 26 PRO CG C 13 27.671 0.400 . 1 . . . . . 26 PRO CG . 17036 1 174 . 1 1 27 27 GLU H H 1 8.637 0.020 . 1 . . . . . 27 GLU H . 17036 1 175 . 1 1 27 27 GLU HA H 1 4.611 0.020 . 1 . . . . . 27 GLU HA . 17036 1 176 . 1 1 27 27 GLU HB2 H 1 1.965 0.020 . 2 . . . . . 27 GLU HB2 . 17036 1 177 . 1 1 27 27 GLU HB3 H 1 1.809 0.020 . 2 . . . . . 27 GLU HB3 . 17036 1 178 . 1 1 27 27 GLU HG2 H 1 2.434 0.020 . 2 . . . . . 27 GLU HG2 . 17036 1 179 . 1 1 27 27 GLU HG3 H 1 1.925 0.020 . 2 . . . . . 27 GLU HG3 . 17036 1 180 . 1 1 27 27 GLU CA C 13 55.713 0.400 . 1 . . . . . 27 GLU CA . 17036 1 181 . 1 1 27 27 GLU CB C 13 30.000 0.400 . 1 . . . . . 27 GLU CB . 17036 1 182 . 1 1 27 27 GLU CG C 13 36.823 0.400 . 1 . . . . . 27 GLU CG . 17036 1 183 . 1 1 27 27 GLU N N 15 120.369 0.400 . 1 . . . . . 27 GLU N . 17036 1 184 . 1 1 28 28 ILE H H 1 9.014 0.020 . 1 . . . . . 28 ILE H . 17036 1 185 . 1 1 28 28 ILE HA H 1 4.124 0.020 . 1 . . . . . 28 ILE HA . 17036 1 186 . 1 1 28 28 ILE HB H 1 1.440 0.020 . 1 . . . . . 28 ILE HB . 17036 1 187 . 1 1 28 28 ILE HD11 H 1 0.849 0.020 . 1 . . . . . 28 ILE HD1 . 17036 1 188 . 1 1 28 28 ILE HD12 H 1 0.849 0.020 . 1 . . . . . 28 ILE HD1 . 17036 1 189 . 1 1 28 28 ILE HD13 H 1 0.849 0.020 . 1 . . . . . 28 ILE HD1 . 17036 1 190 . 1 1 28 28 ILE HG12 H 1 1.000 0.020 . 2 . . . . . 28 ILE HG12 . 17036 1 191 . 1 1 28 28 ILE HG13 H 1 1.380 0.020 . 2 . . . . . 28 ILE HG13 . 17036 1 192 . 1 1 28 28 ILE HG21 H 1 0.703 0.020 . 1 . . . . . 28 ILE HG2 . 17036 1 193 . 1 1 28 28 ILE HG22 H 1 0.703 0.020 . 1 . . . . . 28 ILE HG2 . 17036 1 194 . 1 1 28 28 ILE HG23 H 1 0.703 0.020 . 1 . . . . . 28 ILE HG2 . 17036 1 195 . 1 1 28 28 ILE CA C 13 60.106 0.400 . 1 . . . . . 28 ILE CA . 17036 1 196 . 1 1 28 28 ILE CB C 13 39.504 0.400 . 1 . . . . . 28 ILE CB . 17036 1 197 . 1 1 28 28 ILE CD1 C 13 14.044 0.400 . 1 . . . . . 28 ILE CD1 . 17036 1 198 . 1 1 28 28 ILE CG1 C 13 26.655 0.400 . 1 . . . . . 28 ILE CG1 . 17036 1 199 . 1 1 28 28 ILE CG2 C 13 16.698 0.400 . 1 . . . . . 28 ILE CG2 . 17036 1 200 . 1 1 28 28 ILE N N 15 127.906 0.400 . 1 . . . . . 28 ILE N . 17036 1 201 . 1 1 29 29 LEU H H 1 8.515 0.020 . 1 . . . . . 29 LEU H . 17036 1 202 . 1 1 29 29 LEU HA H 1 4.622 0.020 . 1 . . . . . 29 LEU HA . 17036 1 203 . 1 1 29 29 LEU HB2 H 1 1.556 0.020 . 2 . . . . . 29 LEU HB2 . 17036 1 204 . 1 1 29 29 LEU HB3 H 1 1.557 0.020 . 2 . . . . . 29 LEU HB3 . 17036 1 205 . 1 1 29 29 LEU HD11 H 1 0.876 0.020 . 2 . . . . . 29 LEU HD1 . 17036 1 206 . 1 1 29 29 LEU HD12 H 1 0.876 0.020 . 2 . . . . . 29 LEU HD1 . 17036 1 207 . 1 1 29 29 LEU HD13 H 1 0.876 0.020 . 2 . . . . . 29 LEU HD1 . 17036 1 208 . 1 1 29 29 LEU HD21 H 1 0.847 0.020 . 2 . . . . . 29 LEU HD2 . 17036 1 209 . 1 1 29 29 LEU HD22 H 1 0.847 0.020 . 2 . . . . . 29 LEU HD2 . 17036 1 210 . 1 1 29 29 LEU HD23 H 1 0.847 0.020 . 2 . . . . . 29 LEU HD2 . 17036 1 211 . 1 1 29 29 LEU HG H 1 1.485 0.020 . 1 . . . . . 29 LEU HG . 17036 1 212 . 1 1 29 29 LEU CA C 13 54.505 0.400 . 1 . . . . . 29 LEU CA . 17036 1 213 . 1 1 29 29 LEU CB C 13 41.254 0.400 . 1 . . . . . 29 LEU CB . 17036 1 214 . 1 1 29 29 LEU CD1 C 13 23.904 0.400 . 1 . . . . . 29 LEU CD1 . 17036 1 215 . 1 1 29 29 LEU CD2 C 13 24.435 0.400 . 1 . . . . . 29 LEU CD2 . 17036 1 216 . 1 1 29 29 LEU CG C 13 27.121 0.400 . 1 . . . . . 29 LEU CG . 17036 1 217 . 1 1 29 29 LEU N N 15 128.907 0.400 . 1 . . . . . 29 LEU N . 17036 1 218 . 1 1 30 30 VAL H H 1 8.795 0.020 . 1 . . . . . 30 VAL H . 17036 1 219 . 1 1 30 30 VAL HA H 1 3.823 0.020 . 1 . . . . . 30 VAL HA . 17036 1 220 . 1 1 30 30 VAL HB H 1 2.198 0.020 . 1 . . . . . 30 VAL HB . 17036 1 221 . 1 1 30 30 VAL HG11 H 1 0.729 0.020 . 2 . . . . . 30 VAL HG1 . 17036 1 222 . 1 1 30 30 VAL HG12 H 1 0.729 0.020 . 2 . . . . . 30 VAL HG1 . 17036 1 223 . 1 1 30 30 VAL HG13 H 1 0.729 0.020 . 2 . . . . . 30 VAL HG1 . 17036 1 224 . 1 1 30 30 VAL HG21 H 1 0.695 0.020 . 2 . . . . . 30 VAL HG2 . 17036 1 225 . 1 1 30 30 VAL HG22 H 1 0.695 0.020 . 2 . . . . . 30 VAL HG2 . 17036 1 226 . 1 1 30 30 VAL HG23 H 1 0.695 0.020 . 2 . . . . . 30 VAL HG2 . 17036 1 227 . 1 1 30 30 VAL CA C 13 63.442 0.400 . 1 . . . . . 30 VAL CA . 17036 1 228 . 1 1 30 30 VAL CB C 13 30.586 0.400 . 1 . . . . . 30 VAL CB . 17036 1 229 . 1 1 30 30 VAL CG1 C 13 21.628 0.400 . 1 . . . . . 30 VAL CG1 . 17036 1 230 . 1 1 30 30 VAL CG2 C 13 21.450 0.400 . 1 . . . . . 30 VAL CG2 . 17036 1 231 . 1 1 30 30 VAL N N 15 127.970 0.400 . 1 . . . . . 30 VAL N . 17036 1 232 . 1 1 31 31 THR H H 1 8.525 0.020 . 1 . . . . . 31 THR H . 17036 1 233 . 1 1 31 31 THR HA H 1 4.472 0.020 . 1 . . . . . 31 THR HA . 17036 1 234 . 1 1 31 31 THR HB H 1 4.468 0.020 . 1 . . . . . 31 THR HB . 17036 1 235 . 1 1 31 31 THR HG21 H 1 1.152 0.020 . 1 . . . . . 31 THR HG2 . 17036 1 236 . 1 1 31 31 THR HG22 H 1 1.152 0.020 . 1 . . . . . 31 THR HG2 . 17036 1 237 . 1 1 31 31 THR HG23 H 1 1.152 0.020 . 1 . . . . . 31 THR HG2 . 17036 1 238 . 1 1 31 31 THR CA C 13 61.296 0.400 . 1 . . . . . 31 THR CA . 17036 1 239 . 1 1 31 31 THR CB C 13 69.702 0.400 . 1 . . . . . 31 THR CB . 17036 1 240 . 1 1 31 31 THR CG2 C 13 21.199 0.400 . 1 . . . . . 31 THR CG2 . 17036 1 241 . 1 1 31 31 THR N N 15 120.328 0.400 . 1 . . . . . 31 THR N . 17036 1 242 . 1 1 32 32 GLU H H 1 8.057 0.020 . 1 . . . . . 32 GLU H . 17036 1 243 . 1 1 32 32 GLU HA H 1 4.380 0.020 . 1 . . . . . 32 GLU HA . 17036 1 244 . 1 1 32 32 GLU HB2 H 1 2.018 0.020 . 2 . . . . . 32 GLU HB2 . 17036 1 245 . 1 1 32 32 GLU HB3 H 1 1.829 0.020 . 2 . . . . . 32 GLU HB3 . 17036 1 246 . 1 1 32 32 GLU HG2 H 1 2.205 0.020 . 2 . . . . . 32 GLU HG2 . 17036 1 247 . 1 1 32 32 GLU HG3 H 1 2.205 0.020 . 2 . . . . . 32 GLU HG3 . 17036 1 248 . 1 1 32 32 GLU CA C 13 55.796 0.400 . 1 . . . . . 32 GLU CA . 17036 1 249 . 1 1 32 32 GLU CB C 13 31.128 0.400 . 1 . . . . . 32 GLU CB . 17036 1 250 . 1 1 32 32 GLU CG C 13 35.580 0.400 . 1 . . . . . 32 GLU CG . 17036 1 251 . 1 1 33 33 ASP H H 1 8.406 0.020 . 1 . . . . . 33 ASP H . 17036 1 252 . 1 1 33 33 ASP HA H 1 4.489 0.020 . 1 . . . . . 33 ASP HA . 17036 1 253 . 1 1 33 33 ASP HB2 H 1 2.383 0.020 . 2 . . . . . 33 ASP HB2 . 17036 1 254 . 1 1 33 33 ASP HB3 H 1 2.433 0.020 . 2 . . . . . 33 ASP HB3 . 17036 1 255 . 1 1 33 33 ASP CA C 13 54.504 0.400 . 1 . . . . . 33 ASP CA . 17036 1 256 . 1 1 33 33 ASP CB C 13 41.004 0.400 . 1 . . . . . 33 ASP CB . 17036 1 257 . 1 1 33 33 ASP N N 15 119.528 0.400 . 1 . . . . . 33 ASP N . 17036 1 258 . 1 1 34 34 HIS H H 1 8.444 0.020 . 1 . . . . . 34 HIS H . 17036 1 259 . 1 1 34 34 HIS HA H 1 4.458 0.020 . 1 . . . . . 34 HIS HA . 17036 1 260 . 1 1 34 34 HIS HB2 H 1 3.198 0.020 . 2 . . . . . 34 HIS HB2 . 17036 1 261 . 1 1 34 34 HIS HB3 H 1 3.199 0.020 . 2 . . . . . 34 HIS HB3 . 17036 1 262 . 1 1 34 34 HIS HD2 H 1 7.062 0.020 . 1 . . . . . 34 HIS HD2 . 17036 1 263 . 1 1 34 34 HIS CA C 13 56.030 0.400 . 1 . . . . . 34 HIS CA . 17036 1 264 . 1 1 34 34 HIS CB C 13 28.303 0.400 . 1 . . . . . 34 HIS CB . 17036 1 265 . 1 1 34 34 HIS CD2 C 13 119.912 0.400 . 1 . . . . . 34 HIS CD2 . 17036 1 266 . 1 1 34 34 HIS N N 15 117.752 0.400 . 1 . . . . . 34 HIS N . 17036 1 267 . 1 1 35 35 GLY H H 1 8.333 0.020 . 1 . . . . . 35 GLY H . 17036 1 268 . 1 1 35 35 GLY HA2 H 1 3.642 0.020 . 2 . . . . . 35 GLY HA2 . 17036 1 269 . 1 1 35 35 GLY HA3 H 1 3.964 0.020 . 2 . . . . . 35 GLY HA3 . 17036 1 270 . 1 1 35 35 GLY CA C 13 45.004 0.400 . 1 . . . . . 35 GLY CA . 17036 1 271 . 1 1 35 35 GLY N N 15 108.705 0.400 . 1 . . . . . 35 GLY N . 17036 1 272 . 1 1 36 36 ALA H H 1 8.043 0.020 . 1 . . . . . 36 ALA H . 17036 1 273 . 1 1 36 36 ALA HA H 1 4.377 0.020 . 1 . . . . . 36 ALA HA . 17036 1 274 . 1 1 36 36 ALA HB1 H 1 1.101 0.020 . 1 . . . . . 36 ALA HB . 17036 1 275 . 1 1 36 36 ALA HB2 H 1 1.101 0.020 . 1 . . . . . 36 ALA HB . 17036 1 276 . 1 1 36 36 ALA HB3 H 1 1.101 0.020 . 1 . . . . . 36 ALA HB . 17036 1 277 . 1 1 36 36 ALA CA C 13 51.879 0.400 . 1 . . . . . 36 ALA CA . 17036 1 278 . 1 1 36 36 ALA CB C 13 19.876 0.400 . 1 . . . . . 36 ALA CB . 17036 1 279 . 1 1 36 36 ALA N N 15 122.018 0.400 . 1 . . . . . 36 ALA N . 17036 1 280 . 1 1 37 37 VAL H H 1 7.820 0.020 . 1 . . . . . 37 VAL H . 17036 1 281 . 1 1 37 37 VAL HA H 1 3.628 0.020 . 1 . . . . . 37 VAL HA . 17036 1 282 . 1 1 37 37 VAL HB H 1 1.272 0.020 . 1 . . . . . 37 VAL HB . 17036 1 283 . 1 1 37 37 VAL HG11 H 1 0.170 0.020 . 2 . . . . . 37 VAL HG1 . 17036 1 284 . 1 1 37 37 VAL HG12 H 1 0.170 0.020 . 2 . . . . . 37 VAL HG1 . 17036 1 285 . 1 1 37 37 VAL HG13 H 1 0.170 0.020 . 2 . . . . . 37 VAL HG1 . 17036 1 286 . 1 1 37 37 VAL HG21 H 1 0.095 0.020 . 2 . . . . . 37 VAL HG2 . 17036 1 287 . 1 1 37 37 VAL HG22 H 1 0.095 0.020 . 2 . . . . . 37 VAL HG2 . 17036 1 288 . 1 1 37 37 VAL HG23 H 1 0.095 0.020 . 2 . . . . . 37 VAL HG2 . 17036 1 289 . 1 1 37 37 VAL CA C 13 60.917 0.400 . 1 . . . . . 37 VAL CA . 17036 1 290 . 1 1 37 37 VAL CB C 13 31.711 0.400 . 1 . . . . . 37 VAL CB . 17036 1 291 . 1 1 37 37 VAL CG1 C 13 21.129 0.400 . 1 . . . . . 37 VAL CG1 . 17036 1 292 . 1 1 37 37 VAL CG2 C 13 20.077 0.400 . 1 . . . . . 37 VAL CG2 . 17036 1 293 . 1 1 37 37 VAL N N 15 118.109 0.400 . 1 . . . . . 37 VAL N . 17036 1 294 . 1 1 38 38 GLY H H 1 7.940 0.020 . 1 . . . . . 38 GLY H . 17036 1 295 . 1 1 38 38 GLY HA2 H 1 3.365 0.020 . 2 . . . . . 38 GLY HA2 . 17036 1 296 . 1 1 38 38 GLY HA3 H 1 3.363 0.020 . 2 . . . . . 38 GLY HA3 . 17036 1 297 . 1 1 38 38 GLY CA C 13 46.004 0.400 . 1 . . . . . 38 GLY CA . 17036 1 298 . 1 1 38 38 GLY N N 15 112.934 0.400 . 1 . . . . . 38 GLY N . 17036 1 299 . 1 1 39 39 GLN H H 1 8.286 0.020 . 1 . . . . . 39 GLN H . 17036 1 300 . 1 1 39 39 GLN HA H 1 3.973 0.020 . 1 . . . . . 39 GLN HA . 17036 1 301 . 1 1 39 39 GLN HB2 H 1 2.046 0.020 . 2 . . . . . 39 GLN HB2 . 17036 1 302 . 1 1 39 39 GLN HB3 H 1 2.187 0.020 . 2 . . . . . 39 GLN HB3 . 17036 1 303 . 1 1 39 39 GLN HE21 H 1 7.487 0.020 . 2 . . . . . 39 GLN HE21 . 17036 1 304 . 1 1 39 39 GLN HE22 H 1 6.781 0.020 . 2 . . . . . 39 GLN HE22 . 17036 1 305 . 1 1 39 39 GLN HG2 H 1 2.229 0.020 . 2 . . . . . 39 GLN HG2 . 17036 1 306 . 1 1 39 39 GLN HG3 H 1 2.230 0.020 . 2 . . . . . 39 GLN HG3 . 17036 1 307 . 1 1 39 39 GLN CA C 13 56.338 0.400 . 1 . . . . . 39 GLN CA . 17036 1 308 . 1 1 39 39 GLN CB C 13 28.378 0.400 . 1 . . . . . 39 GLN CB . 17036 1 309 . 1 1 39 39 GLN CG C 13 33.960 0.400 . 1 . . . . . 39 GLN CG . 17036 1 310 . 1 1 39 39 GLN N N 15 116.480 0.400 . 1 . . . . . 39 GLN N . 17036 1 311 . 1 1 39 39 GLN NE2 N 15 112.116 0.400 . 1 . . . . . 39 GLN NE2 . 17036 1 312 . 1 1 40 40 GLU H H 1 8.001 0.020 . 1 . . . . . 40 GLU H . 17036 1 313 . 1 1 40 40 GLU HA H 1 4.431 0.020 . 1 . . . . . 40 GLU HA . 17036 1 314 . 1 1 40 40 GLU HB2 H 1 2.092 0.020 . 2 . . . . . 40 GLU HB2 . 17036 1 315 . 1 1 40 40 GLU HB3 H 1 2.175 0.020 . 2 . . . . . 40 GLU HB3 . 17036 1 316 . 1 1 40 40 GLU HG2 H 1 2.239 0.020 . 2 . . . . . 40 GLU HG2 . 17036 1 317 . 1 1 40 40 GLU HG3 H 1 2.383 0.020 . 2 . . . . . 40 GLU HG3 . 17036 1 318 . 1 1 40 40 GLU CA C 13 55.546 0.400 . 1 . . . . . 40 GLU CA . 17036 1 319 . 1 1 40 40 GLU CB C 13 30.628 0.400 . 1 . . . . . 40 GLU CB . 17036 1 320 . 1 1 40 40 GLU CG C 13 36.010 0.400 . 1 . . . . . 40 GLU CG . 17036 1 321 . 1 1 40 40 GLU N N 15 119.209 0.400 . 1 . . . . . 40 GLU N . 17036 1 322 . 1 1 41 41 MET H H 1 8.436 0.020 . 1 . . . . . 41 MET H . 17036 1 323 . 1 1 41 41 MET HA H 1 4.643 0.020 . 1 . . . . . 41 MET HA . 17036 1 324 . 1 1 41 41 MET HB2 H 1 2.179 0.020 . 2 . . . . . 41 MET HB2 . 17036 1 325 . 1 1 41 41 MET HB3 H 1 2.005 0.020 . 2 . . . . . 41 MET HB3 . 17036 1 326 . 1 1 41 41 MET HE1 H 1 1.969 0.020 . 1 . . . . . 41 MET HE . 17036 1 327 . 1 1 41 41 MET HE2 H 1 1.969 0.020 . 1 . . . . . 41 MET HE . 17036 1 328 . 1 1 41 41 MET HE3 H 1 1.969 0.020 . 1 . . . . . 41 MET HE . 17036 1 329 . 1 1 41 41 MET HG2 H 1 2.614 0.020 . 2 . . . . . 41 MET HG2 . 17036 1 330 . 1 1 41 41 MET HG3 H 1 2.485 0.020 . 2 . . . . . 41 MET HG3 . 17036 1 331 . 1 1 41 41 MET CA C 13 55.739 0.400 . 1 . . . . . 41 MET CA . 17036 1 332 . 1 1 41 41 MET CB C 13 33.242 0.400 . 1 . . . . . 41 MET CB . 17036 1 333 . 1 1 41 41 MET CE C 13 16.505 0.400 . 1 . . . . . 41 MET CE . 17036 1 334 . 1 1 41 41 MET CG C 13 32.070 0.400 . 1 . . . . . 41 MET CG . 17036 1 335 . 1 1 41 41 MET N N 15 118.172 0.400 . 1 . . . . . 41 MET N . 17036 1 336 . 1 1 42 42 CYS H H 1 7.759 0.020 . 1 . . . . . 42 CYS H . 17036 1 337 . 1 1 42 42 CYS HA H 1 4.423 0.020 . 1 . . . . . 42 CYS HA . 17036 1 338 . 1 1 42 42 CYS HB2 H 1 2.355 0.020 . 2 . . . . . 42 CYS HB2 . 17036 1 339 . 1 1 42 42 CYS HB3 H 1 2.278 0.020 . 2 . . . . . 42 CYS HB3 . 17036 1 340 . 1 1 42 42 CYS CA C 13 55.556 0.400 . 1 . . . . . 42 CYS CA . 17036 1 341 . 1 1 42 42 CYS CB C 13 30.147 0.400 . 1 . . . . . 42 CYS CB . 17036 1 342 . 1 1 42 42 CYS N N 15 113.285 0.400 . 1 . . . . . 42 CYS N . 17036 1 343 . 1 1 43 43 CYS H H 1 7.364 0.020 . 1 . . . . . 43 CYS H . 17036 1 344 . 1 1 43 43 CYS HA H 1 4.685 0.020 . 1 . . . . . 43 CYS HA . 17036 1 345 . 1 1 43 43 CYS HB2 H 1 1.982 0.020 . 2 . . . . . 43 CYS HB2 . 17036 1 346 . 1 1 43 43 CYS HB3 H 1 3.111 0.020 . 2 . . . . . 43 CYS HB3 . 17036 1 347 . 1 1 43 43 CYS CA C 13 55.379 0.400 . 1 . . . . . 43 CYS CA . 17036 1 348 . 1 1 43 43 CYS CB C 13 31.863 0.400 . 1 . . . . . 43 CYS CB . 17036 1 349 . 1 1 43 43 CYS N N 15 127.585 0.400 . 1 . . . . . 43 CYS N . 17036 1 350 . 1 1 44 44 PRO HA H 1 4.430 0.020 . 1 . . . . . 44 PRO HA . 17036 1 351 . 1 1 44 44 PRO HB2 H 1 2.326 0.020 . 2 . . . . . 44 PRO HB2 . 17036 1 352 . 1 1 44 44 PRO HB3 H 1 1.759 0.020 . 2 . . . . . 44 PRO HB3 . 17036 1 353 . 1 1 44 44 PRO HD2 H 1 4.124 0.020 . 2 . . . . . 44 PRO HD2 . 17036 1 354 . 1 1 44 44 PRO HD3 H 1 3.993 0.020 . 2 . . . . . 44 PRO HD3 . 17036 1 355 . 1 1 44 44 PRO HG2 H 1 1.753 0.020 . 2 . . . . . 44 PRO HG2 . 17036 1 356 . 1 1 44 44 PRO HG3 H 1 1.939 0.020 . 2 . . . . . 44 PRO HG3 . 17036 1 357 . 1 1 44 44 PRO CA C 13 63.880 0.400 . 1 . . . . . 44 PRO CA . 17036 1 358 . 1 1 44 44 PRO CB C 13 32.544 0.400 . 1 . . . . . 44 PRO CB . 17036 1 359 . 1 1 44 44 PRO CD C 13 51.588 0.400 . 1 . . . . . 44 PRO CD . 17036 1 360 . 1 1 44 44 PRO CG C 13 27.438 0.400 . 1 . . . . . 44 PRO CG . 17036 1 361 . 1 1 45 45 ILE H H 1 8.353 0.020 . 1 . . . . . 45 ILE H . 17036 1 362 . 1 1 45 45 ILE HA H 1 3.926 0.020 . 1 . . . . . 45 ILE HA . 17036 1 363 . 1 1 45 45 ILE HB H 1 1.735 0.020 . 1 . . . . . 45 ILE HB . 17036 1 364 . 1 1 45 45 ILE HD11 H 1 0.468 0.020 . 1 . . . . . 45 ILE HD1 . 17036 1 365 . 1 1 45 45 ILE HD12 H 1 0.468 0.020 . 1 . . . . . 45 ILE HD1 . 17036 1 366 . 1 1 45 45 ILE HD13 H 1 0.468 0.020 . 1 . . . . . 45 ILE HD1 . 17036 1 367 . 1 1 45 45 ILE HG12 H 1 0.663 0.020 . 2 . . . . . 45 ILE HG12 . 17036 1 368 . 1 1 45 45 ILE HG13 H 1 1.573 0.020 . 2 . . . . . 45 ILE HG13 . 17036 1 369 . 1 1 45 45 ILE HG21 H 1 0.996 0.020 . 1 . . . . . 45 ILE HG2 . 17036 1 370 . 1 1 45 45 ILE HG22 H 1 0.996 0.020 . 1 . . . . . 45 ILE HG2 . 17036 1 371 . 1 1 45 45 ILE HG23 H 1 0.996 0.020 . 1 . . . . . 45 ILE HG2 . 17036 1 372 . 1 1 45 45 ILE CA C 13 63.969 0.400 . 1 . . . . . 45 ILE CA . 17036 1 373 . 1 1 45 45 ILE CB C 13 39.045 0.400 . 1 . . . . . 45 ILE CB . 17036 1 374 . 1 1 45 45 ILE CD1 C 13 13.861 0.400 . 1 . . . . . 45 ILE CD1 . 17036 1 375 . 1 1 45 45 ILE CG1 C 13 27.749 0.400 . 1 . . . . . 45 ILE CG1 . 17036 1 376 . 1 1 45 45 ILE CG2 C 13 16.567 0.400 . 1 . . . . . 45 ILE CG2 . 17036 1 377 . 1 1 45 45 ILE N N 15 117.948 0.400 . 1 . . . . . 45 ILE N . 17036 1 378 . 1 1 46 46 CYS H H 1 7.605 0.020 . 1 . . . . . 46 CYS H . 17036 1 379 . 1 1 46 46 CYS HA H 1 4.815 0.020 . 1 . . . . . 46 CYS HA . 17036 1 380 . 1 1 46 46 CYS HB2 H 1 3.255 0.020 . 2 . . . . . 46 CYS HB2 . 17036 1 381 . 1 1 46 46 CYS HB3 H 1 3.085 0.020 . 2 . . . . . 46 CYS HB3 . 17036 1 382 . 1 1 46 46 CYS CA C 13 58.088 0.400 . 1 . . . . . 46 CYS CA . 17036 1 383 . 1 1 46 46 CYS CB C 13 30.338 0.400 . 1 . . . . . 46 CYS CB . 17036 1 384 . 1 1 46 46 CYS N N 15 115.879 0.400 . 1 . . . . . 46 CYS N . 17036 1 385 . 1 1 47 47 CYS H H 1 8.251 0.020 . 1 . . . . . 47 CYS H . 17036 1 386 . 1 1 47 47 CYS HA H 1 4.030 0.020 . 1 . . . . . 47 CYS HA . 17036 1 387 . 1 1 47 47 CYS HB2 H 1 3.047 0.020 . 2 . . . . . 47 CYS HB2 . 17036 1 388 . 1 1 47 47 CYS HB3 H 1 3.184 0.020 . 2 . . . . . 47 CYS HB3 . 17036 1 389 . 1 1 47 47 CYS CA C 13 60.872 0.400 . 1 . . . . . 47 CYS CA . 17036 1 390 . 1 1 47 47 CYS CB C 13 25.002 0.400 . 1 . . . . . 47 CYS CB . 17036 1 391 . 1 1 47 47 CYS N N 15 117.798 0.400 . 1 . . . . . 47 CYS N . 17036 1 392 . 1 1 48 48 SER H H 1 8.177 0.020 . 1 . . . . . 48 SER H . 17036 1 393 . 1 1 48 48 SER HA H 1 4.724 0.020 . 1 . . . . . 48 SER HA . 17036 1 394 . 1 1 48 48 SER HB2 H 1 3.960 0.020 . 2 . . . . . 48 SER HB2 . 17036 1 395 . 1 1 48 48 SER HB3 H 1 3.957 0.020 . 2 . . . . . 48 SER HB3 . 17036 1 396 . 1 1 48 48 SER CA C 13 57.671 0.400 . 1 . . . . . 48 SER CA . 17036 1 397 . 1 1 48 48 SER CB C 13 64.922 0.400 . 1 . . . . . 48 SER CB . 17036 1 398 . 1 1 48 48 SER N N 15 116.033 0.400 . 1 . . . . . 48 SER N . 17036 1 399 . 1 1 49 49 GLU H H 1 8.564 0.020 . 1 . . . . . 49 GLU H . 17036 1 400 . 1 1 49 49 GLU HA H 1 4.419 0.020 . 1 . . . . . 49 GLU HA . 17036 1 401 . 1 1 49 49 GLU HB2 H 1 2.015 0.020 . 2 . . . . . 49 GLU HB2 . 17036 1 402 . 1 1 49 49 GLU HB3 H 1 1.878 0.020 . 2 . . . . . 49 GLU HB3 . 17036 1 403 . 1 1 49 49 GLU HG2 H 1 2.283 0.020 . 2 . . . . . 49 GLU HG2 . 17036 1 404 . 1 1 49 49 GLU HG3 H 1 2.284 0.020 . 2 . . . . . 49 GLU HG3 . 17036 1 405 . 1 1 49 49 GLU CA C 13 56.227 0.400 . 1 . . . . . 49 GLU CA . 17036 1 406 . 1 1 49 49 GLU CB C 13 30.211 0.400 . 1 . . . . . 49 GLU CB . 17036 1 407 . 1 1 49 49 GLU CG C 13 36.400 0.400 . 1 . . . . . 49 GLU CG . 17036 1 408 . 1 1 49 49 GLU N N 15 122.811 0.400 . 1 . . . . . 49 GLU N . 17036 1 409 . 1 1 50 50 TYR H H 1 7.924 0.020 . 1 . . . . . 50 TYR H . 17036 1 410 . 1 1 50 50 TYR HA H 1 4.759 0.020 . 1 . . . . . 50 TYR HA . 17036 1 411 . 1 1 50 50 TYR HB2 H 1 2.844 0.020 . 2 . . . . . 50 TYR HB2 . 17036 1 412 . 1 1 50 50 TYR HB3 H 1 2.643 0.020 . 2 . . . . . 50 TYR HB3 . 17036 1 413 . 1 1 50 50 TYR HD1 H 1 6.748 0.020 . 1 . . . . . 50 TYR HD1 . 17036 1 414 . 1 1 50 50 TYR HD2 H 1 6.748 0.020 . 1 . . . . . 50 TYR HD2 . 17036 1 415 . 1 1 50 50 TYR HE1 H 1 6.082 0.020 . 1 . . . . . 50 TYR HE1 . 17036 1 416 . 1 1 50 50 TYR HE2 H 1 6.082 0.020 . 1 . . . . . 50 TYR HE2 . 17036 1 417 . 1 1 50 50 TYR CA C 13 58.588 0.400 . 1 . . . . . 50 TYR CA . 17036 1 418 . 1 1 50 50 TYR CB C 13 38.526 0.400 . 1 . . . . . 50 TYR CB . 17036 1 419 . 1 1 50 50 TYR CD1 C 13 132.049 0.400 . 1 . . . . . 50 TYR CD1 . 17036 1 420 . 1 1 50 50 TYR CD2 C 13 132.276 0.400 . 1 . . . . . 50 TYR CD2 . 17036 1 421 . 1 1 50 50 TYR CE1 C 13 116.424 0.400 . 1 . . . . . 50 TYR CE1 . 17036 1 422 . 1 1 50 50 TYR CE2 C 13 116.428 0.400 . 1 . . . . . 50 TYR CE2 . 17036 1 423 . 1 1 50 50 TYR N N 15 120.857 0.400 . 1 . . . . . 50 TYR N . 17036 1 424 . 1 1 51 51 VAL H H 1 9.033 0.020 . 1 . . . . . 51 VAL H . 17036 1 425 . 1 1 51 51 VAL HA H 1 4.573 0.020 . 1 . . . . . 51 VAL HA . 17036 1 426 . 1 1 51 51 VAL HB H 1 2.151 0.020 . 1 . . . . . 51 VAL HB . 17036 1 427 . 1 1 51 51 VAL HG11 H 1 0.894 0.020 . 2 . . . . . 51 VAL HG1 . 17036 1 428 . 1 1 51 51 VAL HG12 H 1 0.894 0.020 . 2 . . . . . 51 VAL HG1 . 17036 1 429 . 1 1 51 51 VAL HG13 H 1 0.894 0.020 . 2 . . . . . 51 VAL HG1 . 17036 1 430 . 1 1 51 51 VAL HG21 H 1 0.828 0.020 . 2 . . . . . 51 VAL HG2 . 17036 1 431 . 1 1 51 51 VAL HG22 H 1 0.828 0.020 . 2 . . . . . 51 VAL HG2 . 17036 1 432 . 1 1 51 51 VAL HG23 H 1 0.828 0.020 . 2 . . . . . 51 VAL HG2 . 17036 1 433 . 1 1 51 51 VAL CA C 13 58.963 0.400 . 1 . . . . . 51 VAL CA . 17036 1 434 . 1 1 51 51 VAL CB C 13 35.086 0.400 . 1 . . . . . 51 VAL CB . 17036 1 435 . 1 1 51 51 VAL CG1 C 13 21.380 0.400 . 1 . . . . . 51 VAL CG1 . 17036 1 436 . 1 1 51 51 VAL CG2 C 13 18.960 0.400 . 1 . . . . . 51 VAL CG2 . 17036 1 437 . 1 1 51 51 VAL N N 15 120.299 0.400 . 1 . . . . . 51 VAL N . 17036 1 438 . 1 1 52 52 LYS H H 1 8.298 0.020 . 1 . . . . . 52 LYS H . 17036 1 439 . 1 1 52 52 LYS HA H 1 3.562 0.020 . 1 . . . . . 52 LYS HA . 17036 1 440 . 1 1 52 52 LYS HB2 H 1 1.621 0.020 . 2 . . . . . 52 LYS HB2 . 17036 1 441 . 1 1 52 52 LYS HB3 H 1 1.521 0.020 . 2 . . . . . 52 LYS HB3 . 17036 1 442 . 1 1 52 52 LYS HD2 H 1 1.610 0.020 . 2 . . . . . 52 LYS HD2 . 17036 1 443 . 1 1 52 52 LYS HD3 H 1 1.610 0.020 . 2 . . . . . 52 LYS HD3 . 17036 1 444 . 1 1 52 52 LYS HE2 H 1 2.930 0.020 . 2 . . . . . 52 LYS HE2 . 17036 1 445 . 1 1 52 52 LYS HE3 H 1 2.930 0.020 . 2 . . . . . 52 LYS HE3 . 17036 1 446 . 1 1 52 52 LYS HG2 H 1 1.221 0.020 . 2 . . . . . 52 LYS HG2 . 17036 1 447 . 1 1 52 52 LYS HG3 H 1 1.219 0.020 . 2 . . . . . 52 LYS HG3 . 17036 1 448 . 1 1 52 52 LYS CA C 13 58.297 0.400 . 1 . . . . . 52 LYS CA . 17036 1 449 . 1 1 52 52 LYS CB C 13 32.010 0.400 . 1 . . . . . 52 LYS CB . 17036 1 450 . 1 1 52 52 LYS CD C 13 29.525 0.400 . 1 . . . . . 52 LYS CD . 17036 1 451 . 1 1 52 52 LYS CE C 13 41.780 0.400 . 1 . . . . . 52 LYS CE . 17036 1 452 . 1 1 52 52 LYS CG C 13 24.428 0.400 . 1 . . . . . 52 LYS CG . 17036 1 453 . 1 1 52 52 LYS N N 15 121.894 0.400 . 1 . . . . . 52 LYS N . 17036 1 454 . 1 1 53 53 GLY H H 1 8.796 0.020 . 1 . . . . . 53 GLY H . 17036 1 455 . 1 1 53 53 GLY HA2 H 1 3.538 0.020 . 2 . . . . . 53 GLY HA2 . 17036 1 456 . 1 1 53 53 GLY HA3 H 1 4.472 0.020 . 2 . . . . . 53 GLY HA3 . 17036 1 457 . 1 1 53 53 GLY CA C 13 44.546 0.400 . 1 . . . . . 53 GLY CA . 17036 1 458 . 1 1 53 53 GLY N N 15 115.361 0.400 . 1 . . . . . 53 GLY N . 17036 1 459 . 1 1 54 54 ASP H H 1 8.584 0.020 . 1 . . . . . 54 ASP H . 17036 1 460 . 1 1 54 54 ASP HA H 1 4.668 0.020 . 1 . . . . . 54 ASP HA . 17036 1 461 . 1 1 54 54 ASP HB2 H 1 2.632 0.020 . 2 . . . . . 54 ASP HB2 . 17036 1 462 . 1 1 54 54 ASP HB3 H 1 3.306 0.020 . 2 . . . . . 54 ASP HB3 . 17036 1 463 . 1 1 54 54 ASP CA C 13 55.171 0.400 . 1 . . . . . 54 ASP CA . 17036 1 464 . 1 1 54 54 ASP CB C 13 42.379 0.400 . 1 . . . . . 54 ASP CB . 17036 1 465 . 1 1 54 54 ASP N N 15 121.834 0.400 . 1 . . . . . 54 ASP N . 17036 1 466 . 1 1 55 55 VAL H H 1 8.586 0.020 . 1 . . . . . 55 VAL H . 17036 1 467 . 1 1 55 55 VAL HA H 1 4.543 0.020 . 1 . . . . . 55 VAL HA . 17036 1 468 . 1 1 55 55 VAL HB H 1 2.124 0.020 . 1 . . . . . 55 VAL HB . 17036 1 469 . 1 1 55 55 VAL HG11 H 1 0.941 0.020 . 2 . . . . . 55 VAL HG1 . 17036 1 470 . 1 1 55 55 VAL HG12 H 1 0.941 0.020 . 2 . . . . . 55 VAL HG1 . 17036 1 471 . 1 1 55 55 VAL HG13 H 1 0.941 0.020 . 2 . . . . . 55 VAL HG1 . 17036 1 472 . 1 1 55 55 VAL HG21 H 1 0.969 0.020 . 2 . . . . . 55 VAL HG2 . 17036 1 473 . 1 1 55 55 VAL HG22 H 1 0.969 0.020 . 2 . . . . . 55 VAL HG2 . 17036 1 474 . 1 1 55 55 VAL HG23 H 1 0.969 0.020 . 2 . . . . . 55 VAL HG2 . 17036 1 475 . 1 1 55 55 VAL CA C 13 61.838 0.400 . 1 . . . . . 55 VAL CA . 17036 1 476 . 1 1 55 55 VAL CB C 13 32.026 0.400 . 1 . . . . . 55 VAL CB . 17036 1 477 . 1 1 55 55 VAL CG1 C 13 21.772 0.400 . 1 . . . . . 55 VAL CG1 . 17036 1 478 . 1 1 55 55 VAL CG2 C 13 20.574 0.400 . 1 . . . . . 55 VAL CG2 . 17036 1 479 . 1 1 55 55 VAL N N 15 119.344 0.400 . 1 . . . . . 55 VAL N . 17036 1 480 . 1 1 56 56 ALA H H 1 9.640 0.020 . 1 . . . . . 56 ALA H . 17036 1 481 . 1 1 56 56 ALA HA H 1 5.414 0.020 . 1 . . . . . 56 ALA HA . 17036 1 482 . 1 1 56 56 ALA HB1 H 1 1.152 0.020 . 1 . . . . . 56 ALA HB . 17036 1 483 . 1 1 56 56 ALA HB2 H 1 1.152 0.020 . 1 . . . . . 56 ALA HB . 17036 1 484 . 1 1 56 56 ALA HB3 H 1 1.152 0.020 . 1 . . . . . 56 ALA HB . 17036 1 485 . 1 1 56 56 ALA CA C 13 49.879 0.400 . 1 . . . . . 56 ALA CA . 17036 1 486 . 1 1 56 56 ALA CB C 13 21.473 0.400 . 1 . . . . . 56 ALA CB . 17036 1 487 . 1 1 56 56 ALA N N 15 131.849 0.400 . 1 . . . . . 56 ALA N . 17036 1 488 . 1 1 57 57 THR H H 1 9.071 0.020 . 1 . . . . . 57 THR H . 17036 1 489 . 1 1 57 57 THR HA H 1 4.528 0.020 . 1 . . . . . 57 THR HA . 17036 1 490 . 1 1 57 57 THR HB H 1 3.962 0.020 . 1 . . . . . 57 THR HB . 17036 1 491 . 1 1 57 57 THR HG1 H 1 6.919 0.020 . 1 . . . . . 57 THR HG1 . 17036 1 492 . 1 1 57 57 THR HG21 H 1 0.897 0.020 . 1 . . . . . 57 THR HG2 . 17036 1 493 . 1 1 57 57 THR HG22 H 1 0.897 0.020 . 1 . . . . . 57 THR HG2 . 17036 1 494 . 1 1 57 57 THR HG23 H 1 0.897 0.020 . 1 . . . . . 57 THR HG2 . 17036 1 495 . 1 1 57 57 THR CA C 13 60.581 0.400 . 1 . . . . . 57 THR CA . 17036 1 496 . 1 1 57 57 THR CB C 13 69.172 0.400 . 1 . . . . . 57 THR CB . 17036 1 497 . 1 1 57 57 THR CG2 C 13 19.012 0.400 . 1 . . . . . 57 THR CG2 . 17036 1 498 . 1 1 57 57 THR N N 15 112.797 0.400 . 1 . . . . . 57 THR N . 17036 1 499 . 1 1 58 58 GLU H H 1 7.458 0.020 . 1 . . . . . 58 GLU H . 17036 1 500 . 1 1 58 58 GLU HA H 1 4.698 0.020 . 1 . . . . . 58 GLU HA . 17036 1 501 . 1 1 58 58 GLU HB2 H 1 1.492 0.020 . 2 . . . . . 58 GLU HB2 . 17036 1 502 . 1 1 58 58 GLU HB3 H 1 1.268 0.020 . 2 . . . . . 58 GLU HB3 . 17036 1 503 . 1 1 58 58 GLU HG2 H 1 1.135 0.020 . 2 . . . . . 58 GLU HG2 . 17036 1 504 . 1 1 58 58 GLU HG3 H 1 2.194 0.020 . 2 . . . . . 58 GLU HG3 . 17036 1 505 . 1 1 58 58 GLU CA C 13 53.254 0.400 . 1 . . . . . 58 GLU CA . 17036 1 506 . 1 1 58 58 GLU CB C 13 33.618 0.400 . 1 . . . . . 58 GLU CB . 17036 1 507 . 1 1 58 58 GLU CG C 13 33.931 0.400 . 1 . . . . . 58 GLU CG . 17036 1 508 . 1 1 58 58 GLU N N 15 121.773 0.400 . 1 . . . . . 58 GLU N . 17036 1 509 . 1 1 59 59 LEU H H 1 8.258 0.020 . 1 . . . . . 59 LEU H . 17036 1 510 . 1 1 59 59 LEU HA H 1 4.553 0.020 . 1 . . . . . 59 LEU HA . 17036 1 511 . 1 1 59 59 LEU HB2 H 1 1.960 0.020 . 2 . . . . . 59 LEU HB2 . 17036 1 512 . 1 1 59 59 LEU HB3 H 1 2.111 0.020 . 2 . . . . . 59 LEU HB3 . 17036 1 513 . 1 1 59 59 LEU HD11 H 1 0.858 0.020 . 2 . . . . . 59 LEU HD1 . 17036 1 514 . 1 1 59 59 LEU HD12 H 1 0.858 0.020 . 2 . . . . . 59 LEU HD1 . 17036 1 515 . 1 1 59 59 LEU HD13 H 1 0.858 0.020 . 2 . . . . . 59 LEU HD1 . 17036 1 516 . 1 1 59 59 LEU HD21 H 1 0.492 0.020 . 2 . . . . . 59 LEU HD2 . 17036 1 517 . 1 1 59 59 LEU HD22 H 1 0.492 0.020 . 2 . . . . . 59 LEU HD2 . 17036 1 518 . 1 1 59 59 LEU HD23 H 1 0.492 0.020 . 2 . . . . . 59 LEU HD2 . 17036 1 519 . 1 1 59 59 LEU HG H 1 1.664 0.020 . 1 . . . . . 59 LEU HG . 17036 1 520 . 1 1 59 59 LEU CA C 13 53.713 0.400 . 1 . . . . . 59 LEU CA . 17036 1 521 . 1 1 59 59 LEU CB C 13 42.045 0.400 . 1 . . . . . 59 LEU CB . 17036 1 522 . 1 1 59 59 LEU CD1 C 13 24.730 0.400 . 1 . . . . . 59 LEU CD1 . 17036 1 523 . 1 1 59 59 LEU CD2 C 13 22.998 0.400 . 1 . . . . . 59 LEU CD2 . 17036 1 524 . 1 1 59 59 LEU CG C 13 29.194 0.400 . 1 . . . . . 59 LEU CG . 17036 1 525 . 1 1 59 59 LEU N N 15 124.216 0.400 . 1 . . . . . 59 LEU N . 17036 1 526 . 1 1 60 60 PRO HA H 1 4.167 0.020 . 1 . . . . . 60 PRO HA . 17036 1 527 . 1 1 60 60 PRO HB2 H 1 2.410 0.020 . 2 . . . . . 60 PRO HB2 . 17036 1 528 . 1 1 60 60 PRO HB3 H 1 1.948 0.020 . 2 . . . . . 60 PRO HB3 . 17036 1 529 . 1 1 60 60 PRO HD2 H 1 3.981 0.020 . 2 . . . . . 60 PRO HD2 . 17036 1 530 . 1 1 60 60 PRO HD3 H 1 3.831 0.020 . 2 . . . . . 60 PRO HD3 . 17036 1 531 . 1 1 60 60 PRO HG2 H 1 2.238 0.020 . 2 . . . . . 60 PRO HG2 . 17036 1 532 . 1 1 60 60 PRO HG3 H 1 2.238 0.020 . 2 . . . . . 60 PRO HG3 . 17036 1 533 . 1 1 60 60 PRO CA C 13 65.047 0.400 . 1 . . . . . 60 PRO CA . 17036 1 534 . 1 1 60 60 PRO CB C 13 31.294 0.400 . 1 . . . . . 60 PRO CB . 17036 1 535 . 1 1 60 60 PRO CD C 13 50.681 0.400 . 1 . . . . . 60 PRO CD . 17036 1 536 . 1 1 60 60 PRO CG C 13 27.651 0.400 . 1 . . . . . 60 PRO CG . 17036 1 537 . 1 1 61 61 CYS H H 1 7.349 0.020 . 1 . . . . . 61 CYS H . 17036 1 538 . 1 1 61 61 CYS HA H 1 4.186 0.020 . 1 . . . . . 61 CYS HA . 17036 1 539 . 1 1 61 61 CYS HB2 H 1 2.780 0.020 . 2 . . . . . 61 CYS HB2 . 17036 1 540 . 1 1 61 61 CYS HB3 H 1 3.079 0.020 . 2 . . . . . 61 CYS HB3 . 17036 1 541 . 1 1 61 61 CYS CA C 13 56.755 0.400 . 1 . . . . . 61 CYS CA . 17036 1 542 . 1 1 61 61 CYS CB C 13 30.211 0.400 . 1 . . . . . 61 CYS CB . 17036 1 543 . 1 1 61 61 CYS N N 15 112.674 0.400 . 1 . . . . . 61 CYS N . 17036 1 544 . 1 1 62 62 HIS H H 1 8.372 0.020 . 1 . . . . . 62 HIS H . 17036 1 545 . 1 1 62 62 HIS HA H 1 4.415 0.020 . 1 . . . . . 62 HIS HA . 17036 1 546 . 1 1 62 62 HIS HB2 H 1 3.260 0.020 . 2 . . . . . 62 HIS HB2 . 17036 1 547 . 1 1 62 62 HIS HB3 H 1 3.416 0.020 . 2 . . . . . 62 HIS HB3 . 17036 1 548 . 1 1 62 62 HIS HD2 H 1 7.006 0.020 . 1 . . . . . 62 HIS HD2 . 17036 1 549 . 1 1 62 62 HIS CA C 13 56.046 0.400 . 1 . . . . . 62 HIS CA . 17036 1 550 . 1 1 62 62 HIS CB C 13 24.461 0.400 . 1 . . . . . 62 HIS CB . 17036 1 551 . 1 1 62 62 HIS CD2 C 13 119.927 0.400 . 1 . . . . . 62 HIS CD2 . 17036 1 552 . 1 1 62 62 HIS N N 15 112.919 0.400 . 1 . . . . . 62 HIS N . 17036 1 553 . 1 1 63 63 HIS H H 1 6.884 0.020 . 1 . . . . . 63 HIS H . 17036 1 554 . 1 1 63 63 HIS HA H 1 4.805 0.020 . 1 . . . . . 63 HIS HA . 17036 1 555 . 1 1 63 63 HIS HB2 H 1 3.084 0.020 . 2 . . . . . 63 HIS HB2 . 17036 1 556 . 1 1 63 63 HIS HB3 H 1 2.857 0.020 . 2 . . . . . 63 HIS HB3 . 17036 1 557 . 1 1 63 63 HIS HD2 H 1 7.366 0.020 . 1 . . . . . 63 HIS HD2 . 17036 1 558 . 1 1 63 63 HIS HE1 H 1 7.774 0.020 . 1 . . . . . 63 HIS HE1 . 17036 1 559 . 1 1 63 63 HIS CA C 13 58.588 0.400 . 1 . . . . . 63 HIS CA . 17036 1 560 . 1 1 63 63 HIS CB C 13 31.628 0.400 . 1 . . . . . 63 HIS CB . 17036 1 561 . 1 1 63 63 HIS CD2 C 13 118.850 0.400 . 1 . . . . . 63 HIS CD2 . 17036 1 562 . 1 1 63 63 HIS CE1 C 13 138.168 0.400 . 1 . . . . . 63 HIS CE1 . 17036 1 563 . 1 1 63 63 HIS N N 15 116.644 0.400 . 1 . . . . . 63 HIS N . 17036 1 564 . 1 1 64 64 TYR H H 1 8.084 0.020 . 1 . . . . . 64 TYR H . 17036 1 565 . 1 1 64 64 TYR HA H 1 5.384 0.020 . 1 . . . . . 64 TYR HA . 17036 1 566 . 1 1 64 64 TYR HB2 H 1 2.597 0.020 . 2 . . . . . 64 TYR HB2 . 17036 1 567 . 1 1 64 64 TYR HB3 H 1 2.640 0.020 . 2 . . . . . 64 TYR HB3 . 17036 1 568 . 1 1 64 64 TYR HD1 H 1 6.860 0.020 . 1 . . . . . 64 TYR HD1 . 17036 1 569 . 1 1 64 64 TYR HD2 H 1 6.860 0.020 . 1 . . . . . 64 TYR HD2 . 17036 1 570 . 1 1 64 64 TYR HE1 H 1 6.525 0.020 . 1 . . . . . 64 TYR HE1 . 17036 1 571 . 1 1 64 64 TYR HE2 H 1 6.525 0.020 . 1 . . . . . 64 TYR HE2 . 17036 1 572 . 1 1 64 64 TYR CA C 13 56.755 0.400 . 1 . . . . . 64 TYR CA . 17036 1 573 . 1 1 64 64 TYR CB C 13 41.295 0.400 . 1 . . . . . 64 TYR CB . 17036 1 574 . 1 1 64 64 TYR CD1 C 13 133.246 0.400 . 1 . . . . . 64 TYR CD1 . 17036 1 575 . 1 1 64 64 TYR CD2 C 13 133.163 0.400 . 1 . . . . . 64 TYR CD2 . 17036 1 576 . 1 1 64 64 TYR CE1 C 13 117.826 0.400 . 1 . . . . . 64 TYR CE1 . 17036 1 577 . 1 1 64 64 TYR CE2 C 13 117.905 0.400 . 1 . . . . . 64 TYR CE2 . 17036 1 578 . 1 1 64 64 TYR N N 15 122.250 0.400 . 1 . . . . . 64 TYR N . 17036 1 579 . 1 1 65 65 PHE H H 1 8.011 0.020 . 1 . . . . . 65 PHE H . 17036 1 580 . 1 1 65 65 PHE HA H 1 5.121 0.020 . 1 . . . . . 65 PHE HA . 17036 1 581 . 1 1 65 65 PHE HB2 H 1 3.469 0.020 . 2 . . . . . 65 PHE HB2 . 17036 1 582 . 1 1 65 65 PHE HB3 H 1 2.160 0.020 . 2 . . . . . 65 PHE HB3 . 17036 1 583 . 1 1 65 65 PHE HD1 H 1 6.965 0.020 . 1 . . . . . 65 PHE HD1 . 17036 1 584 . 1 1 65 65 PHE HD2 H 1 6.965 0.020 . 1 . . . . . 65 PHE HD2 . 17036 1 585 . 1 1 65 65 PHE HE1 H 1 7.009 0.020 . 1 . . . . . 65 PHE HE1 . 17036 1 586 . 1 1 65 65 PHE HE2 H 1 7.009 0.020 . 1 . . . . . 65 PHE HE2 . 17036 1 587 . 1 1 65 65 PHE HZ H 1 7.497 0.020 . 1 . . . . . 65 PHE HZ . 17036 1 588 . 1 1 65 65 PHE CA C 13 56.339 0.400 . 1 . . . . . 65 PHE CA . 17036 1 589 . 1 1 65 65 PHE CB C 13 46.770 0.400 . 1 . . . . . 65 PHE CB . 17036 1 590 . 1 1 65 65 PHE CD1 C 13 133.206 0.400 . 1 . . . . . 65 PHE CD1 . 17036 1 591 . 1 1 65 65 PHE CD2 C 13 133.103 0.400 . 1 . . . . . 65 PHE CD2 . 17036 1 592 . 1 1 65 65 PHE CE1 C 13 130.214 0.400 . 1 . . . . . 65 PHE CE1 . 17036 1 593 . 1 1 65 65 PHE CZ C 13 129.970 0.400 . 1 . . . . . 65 PHE CZ . 17036 1 594 . 1 1 65 65 PHE N N 15 112.980 0.400 . 1 . . . . . 65 PHE N . 17036 1 595 . 1 1 66 66 HIS H H 1 9.113 0.020 . 1 . . . . . 66 HIS H . 17036 1 596 . 1 1 66 66 HIS HA H 1 5.060 0.020 . 1 . . . . . 66 HIS HA . 17036 1 597 . 1 1 66 66 HIS HB2 H 1 4.053 0.020 . 2 . . . . . 66 HIS HB2 . 17036 1 598 . 1 1 66 66 HIS HB3 H 1 3.418 0.020 . 2 . . . . . 66 HIS HB3 . 17036 1 599 . 1 1 66 66 HIS HD2 H 1 7.028 0.020 . 1 . . . . . 66 HIS HD2 . 17036 1 600 . 1 1 66 66 HIS HE1 H 1 7.183 0.020 . 1 . . . . . 66 HIS HE1 . 17036 1 601 . 1 1 66 66 HIS CA C 13 60.000 0.400 . 1 . . . . . 66 HIS CA . 17036 1 602 . 1 1 66 66 HIS CB C 13 32.827 0.400 . 1 . . . . . 66 HIS CB . 17036 1 603 . 1 1 66 66 HIS CD2 C 13 117.593 0.400 . 1 . . . . . 66 HIS CD2 . 17036 1 604 . 1 1 66 66 HIS CE1 C 13 138.011 0.400 . 1 . . . . . 66 HIS CE1 . 17036 1 605 . 1 1 66 66 HIS N N 15 117.132 0.400 . 1 . . . . . 66 HIS N . 17036 1 606 . 1 1 67 67 LYS H H 1 10.134 0.020 . 1 . . . . . 67 LYS H . 17036 1 607 . 1 1 67 67 LYS HA H 1 4.237 0.020 . 1 . . . . . 67 LYS HA . 17036 1 608 . 1 1 67 67 LYS HB2 H 1 2.173 0.020 . 2 . . . . . 67 LYS HB2 . 17036 1 609 . 1 1 67 67 LYS HB3 H 1 1.416 0.020 . 2 . . . . . 67 LYS HB3 . 17036 1 610 . 1 1 67 67 LYS HD2 H 1 1.467 0.020 . 2 . . . . . 67 LYS HD2 . 17036 1 611 . 1 1 67 67 LYS HD3 H 1 1.699 0.020 . 2 . . . . . 67 LYS HD3 . 17036 1 612 . 1 1 67 67 LYS HE2 H 1 2.943 0.020 . 2 . . . . . 67 LYS HE2 . 17036 1 613 . 1 1 67 67 LYS HE3 H 1 3.019 0.020 . 2 . . . . . 67 LYS HE3 . 17036 1 614 . 1 1 67 67 LYS HG2 H 1 1.079 0.020 . 2 . . . . . 67 LYS HG2 . 17036 1 615 . 1 1 67 67 LYS HG3 H 1 1.443 0.020 . 2 . . . . . 67 LYS HG3 . 17036 1 616 . 1 1 67 67 LYS CA C 13 61.796 0.400 . 1 . . . . . 67 LYS CA . 17036 1 617 . 1 1 67 67 LYS CB C 13 30.132 0.400 . 1 . . . . . 67 LYS CB . 17036 1 618 . 1 1 67 67 LYS CD C 13 29.836 0.400 . 1 . . . . . 67 LYS CD . 17036 1 619 . 1 1 67 67 LYS CE C 13 42.505 0.400 . 1 . . . . . 67 LYS CE . 17036 1 620 . 1 1 67 67 LYS CG C 13 26.528 0.400 . 1 . . . . . 67 LYS CG . 17036 1 621 . 1 1 67 67 LYS N N 15 127.086 0.400 . 1 . . . . . 67 LYS N . 17036 1 622 . 1 1 68 68 PRO HA H 1 4.365 0.020 . 1 . . . . . 68 PRO HA . 17036 1 623 . 1 1 68 68 PRO HB2 H 1 2.024 0.020 . 2 . . . . . 68 PRO HB2 . 17036 1 624 . 1 1 68 68 PRO HB3 H 1 2.385 0.020 . 2 . . . . . 68 PRO HB3 . 17036 1 625 . 1 1 68 68 PRO HD2 H 1 4.022 0.020 . 2 . . . . . 68 PRO HD2 . 17036 1 626 . 1 1 68 68 PRO HD3 H 1 3.943 0.020 . 2 . . . . . 68 PRO HD3 . 17036 1 627 . 1 1 68 68 PRO HG2 H 1 2.048 0.020 . 2 . . . . . 68 PRO HG2 . 17036 1 628 . 1 1 68 68 PRO HG3 H 1 2.164 0.020 . 2 . . . . . 68 PRO HG3 . 17036 1 629 . 1 1 68 68 PRO CA C 13 65.963 0.400 . 1 . . . . . 68 PRO CA . 17036 1 630 . 1 1 68 68 PRO CB C 13 30.544 0.400 . 1 . . . . . 68 PRO CB . 17036 1 631 . 1 1 68 68 PRO CD C 13 50.342 0.400 . 1 . . . . . 68 PRO CD . 17036 1 632 . 1 1 68 68 PRO CG C 13 28.485 0.400 . 1 . . . . . 68 PRO CG . 17036 1 633 . 1 1 69 69 CYS H H 1 6.292 0.020 . 1 . . . . . 69 CYS H . 17036 1 634 . 1 1 69 69 CYS HA H 1 4.068 0.020 . 1 . . . . . 69 CYS HA . 17036 1 635 . 1 1 69 69 CYS HB2 H 1 3.070 0.020 . 2 . . . . . 69 CYS HB2 . 17036 1 636 . 1 1 69 69 CYS HB3 H 1 3.013 0.020 . 2 . . . . . 69 CYS HB3 . 17036 1 637 . 1 1 69 69 CYS CA C 13 63.047 0.400 . 1 . . . . . 69 CYS CA . 17036 1 638 . 1 1 69 69 CYS CB C 13 29.627 0.400 . 1 . . . . . 69 CYS CB . 17036 1 639 . 1 1 69 69 CYS N N 15 112.064 0.400 . 1 . . . . . 69 CYS N . 17036 1 640 . 1 1 70 70 VAL H H 1 7.920 0.020 . 1 . . . . . 70 VAL H . 17036 1 641 . 1 1 70 70 VAL HA H 1 3.873 0.020 . 1 . . . . . 70 VAL HA . 17036 1 642 . 1 1 70 70 VAL HB H 1 1.388 0.020 . 1 . . . . . 70 VAL HB . 17036 1 643 . 1 1 70 70 VAL HG11 H 1 0.797 0.020 . 2 . . . . . 70 VAL HG1 . 17036 1 644 . 1 1 70 70 VAL HG12 H 1 0.797 0.020 . 2 . . . . . 70 VAL HG1 . 17036 1 645 . 1 1 70 70 VAL HG13 H 1 0.797 0.020 . 2 . . . . . 70 VAL HG1 . 17036 1 646 . 1 1 70 70 VAL HG21 H 1 0.242 0.020 . 2 . . . . . 70 VAL HG2 . 17036 1 647 . 1 1 70 70 VAL HG22 H 1 0.242 0.020 . 2 . . . . . 70 VAL HG2 . 17036 1 648 . 1 1 70 70 VAL HG23 H 1 0.242 0.020 . 2 . . . . . 70 VAL HG2 . 17036 1 649 . 1 1 70 70 VAL CA C 13 63.247 0.400 . 1 . . . . . 70 VAL CA . 17036 1 650 . 1 1 70 70 VAL CB C 13 31.375 0.400 . 1 . . . . . 70 VAL CB . 17036 1 651 . 1 1 70 70 VAL CG1 C 13 19.422 0.400 . 1 . . . . . 70 VAL CG1 . 17036 1 652 . 1 1 70 70 VAL CG2 C 13 22.389 0.400 . 1 . . . . . 70 VAL CG2 . 17036 1 653 . 1 1 70 70 VAL N N 15 118.109 0.400 . 1 . . . . . 70 VAL N . 17036 1 654 . 1 1 71 71 SER H H 1 8.277 0.020 . 1 . . . . . 71 SER H . 17036 1 655 . 1 1 71 71 SER HA H 1 3.795 0.020 . 1 . . . . . 71 SER HA . 17036 1 656 . 1 1 71 71 SER HB2 H 1 4.018 0.020 . 2 . . . . . 71 SER HB2 . 17036 1 657 . 1 1 71 71 SER HB3 H 1 3.931 0.020 . 2 . . . . . 71 SER HB3 . 17036 1 658 . 1 1 71 71 SER CA C 13 62.281 0.400 . 1 . . . . . 71 SER CA . 17036 1 659 . 1 1 71 71 SER CB C 13 62.602 0.400 . 1 . . . . . 71 SER CB . 17036 1 660 . 1 1 71 71 SER N N 15 119.636 0.400 . 1 . . . . . 71 SER N . 17036 1 661 . 1 1 72 72 ILE H H 1 7.131 0.020 . 1 . . . . . 72 ILE H . 17036 1 662 . 1 1 72 72 ILE HA H 1 3.695 0.020 . 1 . . . . . 72 ILE HA . 17036 1 663 . 1 1 72 72 ILE HB H 1 1.982 0.020 . 1 . . . . . 72 ILE HB . 17036 1 664 . 1 1 72 72 ILE HD11 H 1 0.835 0.020 . 1 . . . . . 72 ILE HD1 . 17036 1 665 . 1 1 72 72 ILE HD12 H 1 0.835 0.020 . 1 . . . . . 72 ILE HD1 . 17036 1 666 . 1 1 72 72 ILE HD13 H 1 0.835 0.020 . 1 . . . . . 72 ILE HD1 . 17036 1 667 . 1 1 72 72 ILE HG12 H 1 1.671 0.020 . 2 . . . . . 72 ILE HG12 . 17036 1 668 . 1 1 72 72 ILE HG13 H 1 1.232 0.020 . 2 . . . . . 72 ILE HG13 . 17036 1 669 . 1 1 72 72 ILE HG21 H 1 0.900 0.020 . 1 . . . . . 72 ILE HG2 . 17036 1 670 . 1 1 72 72 ILE HG22 H 1 0.900 0.020 . 1 . . . . . 72 ILE HG2 . 17036 1 671 . 1 1 72 72 ILE HG23 H 1 0.900 0.020 . 1 . . . . . 72 ILE HG2 . 17036 1 672 . 1 1 72 72 ILE CA C 13 63.839 0.400 . 1 . . . . . 72 ILE CA . 17036 1 673 . 1 1 72 72 ILE CB C 13 37.794 0.400 . 1 . . . . . 72 ILE CB . 17036 1 674 . 1 1 72 72 ILE CD1 C 13 12.317 0.400 . 1 . . . . . 72 ILE CD1 . 17036 1 675 . 1 1 72 72 ILE CG1 C 13 28.589 0.400 . 1 . . . . . 72 ILE CG1 . 17036 1 676 . 1 1 72 72 ILE CG2 C 13 17.045 0.400 . 1 . . . . . 72 ILE CG2 . 17036 1 677 . 1 1 72 72 ILE N N 15 119.270 0.400 . 1 . . . . . 72 ILE N . 17036 1 678 . 1 1 73 73 TRP H H 1 7.123 0.020 . 1 . . . . . 73 TRP H . 17036 1 679 . 1 1 73 73 TRP HA H 1 4.160 0.020 . 1 . . . . . 73 TRP HA . 17036 1 680 . 1 1 73 73 TRP HB2 H 1 3.291 0.020 . 2 . . . . . 73 TRP HB2 . 17036 1 681 . 1 1 73 73 TRP HB3 H 1 3.299 0.020 . 2 . . . . . 73 TRP HB3 . 17036 1 682 . 1 1 73 73 TRP HD1 H 1 7.110 0.020 . 1 . . . . . 73 TRP HD1 . 17036 1 683 . 1 1 73 73 TRP HE1 H 1 9.769 0.020 . 1 . . . . . 73 TRP HE1 . 17036 1 684 . 1 1 73 73 TRP HE3 H 1 7.644 0.020 . 1 . . . . . 73 TRP HE3 . 17036 1 685 . 1 1 73 73 TRP HH2 H 1 7.137 0.020 . 1 . . . . . 73 TRP HH2 . 17036 1 686 . 1 1 73 73 TRP HZ2 H 1 7.291 0.020 . 1 . . . . . 73 TRP HZ2 . 17036 1 687 . 1 1 73 73 TRP HZ3 H 1 7.093 0.020 . 1 . . . . . 73 TRP HZ3 . 17036 1 688 . 1 1 73 73 TRP CA C 13 60.708 0.400 . 1 . . . . . 73 TRP CA . 17036 1 689 . 1 1 73 73 TRP CB C 13 28.586 0.400 . 1 . . . . . 73 TRP CB . 17036 1 690 . 1 1 73 73 TRP CD1 C 13 127.249 0.400 . 1 . . . . . 73 TRP CD1 . 17036 1 691 . 1 1 73 73 TRP CE3 C 13 120.376 0.400 . 1 . . . . . 73 TRP CE3 . 17036 1 692 . 1 1 73 73 TRP CH2 C 13 124.302 0.400 . 1 . . . . . 73 TRP CH2 . 17036 1 693 . 1 1 73 73 TRP CZ2 C 13 113.755 0.400 . 1 . . . . . 73 TRP CZ2 . 17036 1 694 . 1 1 73 73 TRP CZ3 C 13 121.596 0.400 . 1 . . . . . 73 TRP CZ3 . 17036 1 695 . 1 1 73 73 TRP N N 15 120.063 0.400 . 1 . . . . . 73 TRP N . 17036 1 696 . 1 1 73 73 TRP NE1 N 15 131.229 0.400 . 1 . . . . . 73 TRP NE1 . 17036 1 697 . 1 1 74 74 LEU H H 1 8.835 0.020 . 1 . . . . . 74 LEU H . 17036 1 698 . 1 1 74 74 LEU HA H 1 4.656 0.020 . 1 . . . . . 74 LEU HA . 17036 1 699 . 1 1 74 74 LEU HB2 H 1 1.841 0.020 . 2 . . . . . 74 LEU HB2 . 17036 1 700 . 1 1 74 74 LEU HB3 H 1 1.313 0.020 . 2 . . . . . 74 LEU HB3 . 17036 1 701 . 1 1 74 74 LEU HD11 H 1 0.431 0.020 . 2 . . . . . 74 LEU HD1 . 17036 1 702 . 1 1 74 74 LEU HD12 H 1 0.431 0.020 . 2 . . . . . 74 LEU HD1 . 17036 1 703 . 1 1 74 74 LEU HD13 H 1 0.431 0.020 . 2 . . . . . 74 LEU HD1 . 17036 1 704 . 1 1 74 74 LEU HD21 H 1 1.031 0.020 . 2 . . . . . 74 LEU HD2 . 17036 1 705 . 1 1 74 74 LEU HD22 H 1 1.031 0.020 . 2 . . . . . 74 LEU HD2 . 17036 1 706 . 1 1 74 74 LEU HD23 H 1 1.031 0.020 . 2 . . . . . 74 LEU HD2 . 17036 1 707 . 1 1 74 74 LEU HG H 1 2.048 0.020 . 1 . . . . . 74 LEU HG . 17036 1 708 . 1 1 74 74 LEU CA C 13 56.171 0.400 . 1 . . . . . 74 LEU CA . 17036 1 709 . 1 1 74 74 LEU CB C 13 42.586 0.400 . 1 . . . . . 74 LEU CB . 17036 1 710 . 1 1 74 74 LEU CD1 C 13 27.083 0.400 . 1 . . . . . 74 LEU CD1 . 17036 1 711 . 1 1 74 74 LEU CD2 C 13 23.235 0.400 . 1 . . . . . 74 LEU CD2 . 17036 1 712 . 1 1 74 74 LEU CG C 13 26.933 0.400 . 1 . . . . . 74 LEU CG . 17036 1 713 . 1 1 74 74 LEU N N 15 118.415 0.400 . 1 . . . . . 74 LEU N . 17036 1 714 . 1 1 75 75 GLN H H 1 7.327 0.020 . 1 . . . . . 75 GLN H . 17036 1 715 . 1 1 75 75 GLN HA H 1 4.102 0.020 . 1 . . . . . 75 GLN HA . 17036 1 716 . 1 1 75 75 GLN HB2 H 1 2.105 0.020 . 2 . . . . . 75 GLN HB2 . 17036 1 717 . 1 1 75 75 GLN HB3 H 1 2.051 0.020 . 2 . . . . . 75 GLN HB3 . 17036 1 718 . 1 1 75 75 GLN HE21 H 1 6.783 0.020 . 2 . . . . . 75 GLN HE21 . 17036 1 719 . 1 1 75 75 GLN HE22 H 1 7.073 0.020 . 2 . . . . . 75 GLN HE22 . 17036 1 720 . 1 1 75 75 GLN HG2 H 1 2.249 0.020 . 2 . . . . . 75 GLN HG2 . 17036 1 721 . 1 1 75 75 GLN HG3 H 1 2.672 0.020 . 2 . . . . . 75 GLN HG3 . 17036 1 722 . 1 1 75 75 GLN CA C 13 57.213 0.400 . 1 . . . . . 75 GLN CA . 17036 1 723 . 1 1 75 75 GLN CB C 13 29.211 0.400 . 1 . . . . . 75 GLN CB . 17036 1 724 . 1 1 75 75 GLN CG C 13 35.048 0.400 . 1 . . . . . 75 GLN CG . 17036 1 725 . 1 1 75 75 GLN N N 15 114.934 0.400 . 1 . . . . . 75 GLN N . 17036 1 726 . 1 1 75 75 GLN NE2 N 15 111.236 0.400 . 1 . . . . . 75 GLN NE2 . 17036 1 727 . 1 1 76 76 LYS H H 1 7.661 0.020 . 1 . . . . . 76 LYS H . 17036 1 728 . 1 1 76 76 LYS HA H 1 4.260 0.020 . 1 . . . . . 76 LYS HA . 17036 1 729 . 1 1 76 76 LYS HB2 H 1 1.567 0.020 . 2 . . . . . 76 LYS HB2 . 17036 1 730 . 1 1 76 76 LYS HB3 H 1 1.565 0.020 . 2 . . . . . 76 LYS HB3 . 17036 1 731 . 1 1 76 76 LYS HD2 H 1 1.466 0.020 . 2 . . . . . 76 LYS HD2 . 17036 1 732 . 1 1 76 76 LYS HD3 H 1 1.467 0.020 . 2 . . . . . 76 LYS HD3 . 17036 1 733 . 1 1 76 76 LYS HE2 H 1 2.773 0.020 . 2 . . . . . 76 LYS HE2 . 17036 1 734 . 1 1 76 76 LYS HE3 H 1 2.771 0.020 . 2 . . . . . 76 LYS HE3 . 17036 1 735 . 1 1 76 76 LYS HG2 H 1 1.289 0.020 . 2 . . . . . 76 LYS HG2 . 17036 1 736 . 1 1 76 76 LYS HG3 H 1 1.153 0.020 . 2 . . . . . 76 LYS HG3 . 17036 1 737 . 1 1 76 76 LYS CA C 13 56.921 0.400 . 1 . . . . . 76 LYS CA . 17036 1 738 . 1 1 76 76 LYS CB C 13 32.878 0.400 . 1 . . . . . 76 LYS CB . 17036 1 739 . 1 1 76 76 LYS CD C 13 28.780 0.400 . 1 . . . . . 76 LYS CD . 17036 1 740 . 1 1 76 76 LYS CE C 13 41.780 0.400 . 1 . . . . . 76 LYS CE . 17036 1 741 . 1 1 76 76 LYS CG C 13 24.364 0.400 . 1 . . . . . 76 LYS CG . 17036 1 742 . 1 1 76 76 LYS N N 15 118.842 0.400 . 1 . . . . . 76 LYS N . 17036 1 743 . 1 1 77 77 SER H H 1 7.874 0.020 . 1 . . . . . 77 SER H . 17036 1 744 . 1 1 77 77 SER HA H 1 4.136 0.020 . 1 . . . . . 77 SER HA . 17036 1 745 . 1 1 77 77 SER HB2 H 1 2.993 0.020 . 2 . . . . . 77 SER HB2 . 17036 1 746 . 1 1 77 77 SER HB3 H 1 3.290 0.020 . 2 . . . . . 77 SER HB3 . 17036 1 747 . 1 1 77 77 SER CA C 13 56.713 0.400 . 1 . . . . . 77 SER CA . 17036 1 748 . 1 1 77 77 SER CB C 13 64.327 0.400 . 1 . . . . . 77 SER CB . 17036 1 749 . 1 1 77 77 SER N N 15 112.735 0.400 . 1 . . . . . 77 SER N . 17036 1 750 . 1 1 78 78 GLY H H 1 8.150 0.020 . 1 . . . . . 78 GLY H . 17036 1 751 . 1 1 78 78 GLY HA2 H 1 4.542 0.020 . 2 . . . . . 78 GLY HA2 . 17036 1 752 . 1 1 78 78 GLY HA3 H 1 3.807 0.020 . 2 . . . . . 78 GLY HA3 . 17036 1 753 . 1 1 78 78 GLY CA C 13 47.546 0.400 . 1 . . . . . 78 GLY CA . 17036 1 754 . 1 1 78 78 GLY N N 15 117.470 0.400 . 1 . . . . . 78 GLY N . 17036 1 755 . 1 1 79 79 THR H H 1 8.574 0.020 . 1 . . . . . 79 THR H . 17036 1 756 . 1 1 79 79 THR HA H 1 4.906 0.020 . 1 . . . . . 79 THR HA . 17036 1 757 . 1 1 79 79 THR HB H 1 3.735 0.020 . 1 . . . . . 79 THR HB . 17036 1 758 . 1 1 79 79 THR HG21 H 1 1.042 0.020 . 1 . . . . . 79 THR HG2 . 17036 1 759 . 1 1 79 79 THR HG22 H 1 1.042 0.020 . 1 . . . . . 79 THR HG2 . 17036 1 760 . 1 1 79 79 THR HG23 H 1 1.042 0.020 . 1 . . . . . 79 THR HG2 . 17036 1 761 . 1 1 79 79 THR CA C 13 58.755 0.400 . 1 . . . . . 79 THR CA . 17036 1 762 . 1 1 79 79 THR CB C 13 73.025 0.400 . 1 . . . . . 79 THR CB . 17036 1 763 . 1 1 79 79 THR CG2 C 13 22.291 0.400 . 1 . . . . . 79 THR CG2 . 17036 1 764 . 1 1 79 79 THR N N 15 118.560 0.400 . 1 . . . . . 79 THR N . 17036 1 765 . 1 1 80 80 CYS H H 1 8.328 0.020 . 1 . . . . . 80 CYS H . 17036 1 766 . 1 1 80 80 CYS HA H 1 4.242 0.020 . 1 . . . . . 80 CYS HA . 17036 1 767 . 1 1 80 80 CYS HB2 H 1 3.017 0.020 . 2 . . . . . 80 CYS HB2 . 17036 1 768 . 1 1 80 80 CYS HB3 H 1 3.159 0.020 . 2 . . . . . 80 CYS HB3 . 17036 1 769 . 1 1 80 80 CYS CA C 13 56.463 0.400 . 1 . . . . . 80 CYS CA . 17036 1 770 . 1 1 80 80 CYS CB C 13 31.803 0.400 . 1 . . . . . 80 CYS CB . 17036 1 771 . 1 1 80 80 CYS N N 15 123.666 0.400 . 1 . . . . . 80 CYS N . 17036 1 772 . 1 1 81 81 PRO HA H 1 3.838 0.020 . 1 . . . . . 81 PRO HA . 17036 1 773 . 1 1 81 81 PRO HB2 H 1 0.681 0.020 . 2 . . . . . 81 PRO HB2 . 17036 1 774 . 1 1 81 81 PRO HB3 H 1 1.190 0.020 . 2 . . . . . 81 PRO HB3 . 17036 1 775 . 1 1 81 81 PRO HD2 H 1 3.375 0.020 . 2 . . . . . 81 PRO HD2 . 17036 1 776 . 1 1 81 81 PRO HD3 H 1 3.432 0.020 . 2 . . . . . 81 PRO HD3 . 17036 1 777 . 1 1 81 81 PRO HG2 H 1 0.951 0.020 . 2 . . . . . 81 PRO HG2 . 17036 1 778 . 1 1 81 81 PRO HG3 H 1 0.146 0.020 . 2 . . . . . 81 PRO HG3 . 17036 1 779 . 1 1 81 81 PRO CA C 13 64.194 0.400 . 1 . . . . . 81 PRO CA . 17036 1 780 . 1 1 81 81 PRO CB C 13 31.128 0.400 . 1 . . . . . 81 PRO CB . 17036 1 781 . 1 1 81 81 PRO CD C 13 49.552 0.400 . 1 . . . . . 81 PRO CD . 17036 1 782 . 1 1 81 81 PRO CG C 13 25.423 0.400 . 1 . . . . . 81 PRO CG . 17036 1 783 . 1 1 82 82 VAL H H 1 9.102 0.020 . 1 . . . . . 82 VAL H . 17036 1 784 . 1 1 82 82 VAL HA H 1 3.709 0.020 . 1 . . . . . 82 VAL HA . 17036 1 785 . 1 1 82 82 VAL HB H 1 1.279 0.020 . 1 . . . . . 82 VAL HB . 17036 1 786 . 1 1 82 82 VAL HG11 H 1 0.280 0.020 . 2 . . . . . 82 VAL HG1 . 17036 1 787 . 1 1 82 82 VAL HG12 H 1 0.280 0.020 . 2 . . . . . 82 VAL HG1 . 17036 1 788 . 1 1 82 82 VAL HG13 H 1 0.280 0.020 . 2 . . . . . 82 VAL HG1 . 17036 1 789 . 1 1 82 82 VAL HG21 H 1 0.801 0.020 . 2 . . . . . 82 VAL HG2 . 17036 1 790 . 1 1 82 82 VAL HG22 H 1 0.801 0.020 . 2 . . . . . 82 VAL HG2 . 17036 1 791 . 1 1 82 82 VAL HG23 H 1 0.801 0.020 . 2 . . . . . 82 VAL HG2 . 17036 1 792 . 1 1 82 82 VAL CA C 13 64.588 0.400 . 1 . . . . . 82 VAL CA . 17036 1 793 . 1 1 82 82 VAL CB C 13 32.866 0.400 . 1 . . . . . 82 VAL CB . 17036 1 794 . 1 1 82 82 VAL CG1 C 13 19.145 0.400 . 1 . . . . . 82 VAL CG1 . 17036 1 795 . 1 1 82 82 VAL CG2 C 13 21.648 0.400 . 1 . . . . . 82 VAL CG2 . 17036 1 796 . 1 1 82 82 VAL N N 15 119.453 0.400 . 1 . . . . . 82 VAL N . 17036 1 797 . 1 1 83 83 CYS H H 1 8.355 0.020 . 1 . . . . . 83 CYS H . 17036 1 798 . 1 1 83 83 CYS HA H 1 4.902 0.020 . 1 . . . . . 83 CYS HA . 17036 1 799 . 1 1 83 83 CYS HB2 H 1 3.432 0.020 . 2 . . . . . 83 CYS HB2 . 17036 1 800 . 1 1 83 83 CYS HB3 H 1 2.669 0.020 . 2 . . . . . 83 CYS HB3 . 17036 1 801 . 1 1 83 83 CYS CA C 13 58.171 0.400 . 1 . . . . . 83 CYS CA . 17036 1 802 . 1 1 83 83 CYS CB C 13 32.544 0.400 . 1 . . . . . 83 CYS CB . 17036 1 803 . 1 1 83 83 CYS N N 15 118.415 0.400 . 1 . . . . . 83 CYS N . 17036 1 804 . 1 1 84 84 ARG H H 1 8.097 0.020 . 1 . . . . . 84 ARG H . 17036 1 805 . 1 1 84 84 ARG HA H 1 4.148 0.020 . 1 . . . . . 84 ARG HA . 17036 1 806 . 1 1 84 84 ARG HB2 H 1 2.045 0.020 . 2 . . . . . 84 ARG HB2 . 17036 1 807 . 1 1 84 84 ARG HB3 H 1 2.122 0.020 . 2 . . . . . 84 ARG HB3 . 17036 1 808 . 1 1 84 84 ARG HD2 H 1 3.081 0.020 . 2 . . . . . 84 ARG HD2 . 17036 1 809 . 1 1 84 84 ARG HD3 H 1 3.130 0.020 . 2 . . . . . 84 ARG HD3 . 17036 1 810 . 1 1 84 84 ARG HG2 H 1 1.465 0.020 . 2 . . . . . 84 ARG HG2 . 17036 1 811 . 1 1 84 84 ARG HG3 H 1 1.466 0.020 . 2 . . . . . 84 ARG HG3 . 17036 1 812 . 1 1 84 84 ARG CA C 13 57.671 0.400 . 1 . . . . . 84 ARG CA . 17036 1 813 . 1 1 84 84 ARG CB C 13 26.627 0.400 . 1 . . . . . 84 ARG CB . 17036 1 814 . 1 1 84 84 ARG CD C 13 43.100 0.400 . 1 . . . . . 84 ARG CD . 17036 1 815 . 1 1 84 84 ARG CG C 13 27.310 0.400 . 1 . . . . . 84 ARG CG . 17036 1 816 . 1 1 84 84 ARG N N 15 117.132 0.400 . 1 . . . . . 84 ARG N . 17036 1 817 . 1 1 85 85 CYS H H 1 8.140 0.020 . 1 . . . . . 85 CYS H . 17036 1 818 . 1 1 85 85 CYS HA H 1 4.401 0.020 . 1 . . . . . 85 CYS HA . 17036 1 819 . 1 1 85 85 CYS HB2 H 1 2.930 0.020 . 2 . . . . . 85 CYS HB2 . 17036 1 820 . 1 1 85 85 CYS HB3 H 1 3.077 0.020 . 2 . . . . . 85 CYS HB3 . 17036 1 821 . 1 1 85 85 CYS CA C 13 60.065 0.400 . 1 . . . . . 85 CYS CA . 17036 1 822 . 1 1 85 85 CYS CB C 13 27.711 0.400 . 1 . . . . . 85 CYS CB . 17036 1 823 . 1 1 85 85 CYS N N 15 119.453 0.400 . 1 . . . . . 85 CYS N . 17036 1 824 . 1 1 86 86 MET H H 1 8.676 0.020 . 1 . . . . . 86 MET H . 17036 1 825 . 1 1 86 86 MET HA H 1 4.334 0.020 . 1 . . . . . 86 MET HA . 17036 1 826 . 1 1 86 86 MET HB2 H 1 1.996 0.020 . 2 . . . . . 86 MET HB2 . 17036 1 827 . 1 1 86 86 MET HB3 H 1 1.952 0.020 . 2 . . . . . 86 MET HB3 . 17036 1 828 . 1 1 86 86 MET HE1 H 1 2.080 0.020 . 1 . . . . . 86 MET HE . 17036 1 829 . 1 1 86 86 MET HE2 H 1 2.080 0.020 . 1 . . . . . 86 MET HE . 17036 1 830 . 1 1 86 86 MET HE3 H 1 2.080 0.020 . 1 . . . . . 86 MET HE . 17036 1 831 . 1 1 86 86 MET HG2 H 1 2.579 0.020 . 2 . . . . . 86 MET HG2 . 17036 1 832 . 1 1 86 86 MET HG3 H 1 2.498 0.020 . 2 . . . . . 86 MET HG3 . 17036 1 833 . 1 1 86 86 MET CA C 13 56.963 0.400 . 1 . . . . . 86 MET CA . 17036 1 834 . 1 1 86 86 MET CB C 13 33.586 0.400 . 1 . . . . . 86 MET CB . 17036 1 835 . 1 1 86 86 MET CE C 13 17.000 0.400 . 1 . . . . . 86 MET CE . 17036 1 836 . 1 1 86 86 MET CG C 13 31.745 0.400 . 1 . . . . . 86 MET CG . 17036 1 837 . 1 1 86 86 MET N N 15 125.437 0.400 . 1 . . . . . 86 MET N . 17036 1 838 . 1 1 87 87 PHE H H 1 8.053 0.020 . 1 . . . . . 87 PHE H . 17036 1 839 . 1 1 87 87 PHE HA H 1 4.353 0.020 . 1 . . . . . 87 PHE HA . 17036 1 840 . 1 1 87 87 PHE HB2 H 1 2.401 0.020 . 2 . . . . . 87 PHE HB2 . 17036 1 841 . 1 1 87 87 PHE HB3 H 1 2.883 0.020 . 2 . . . . . 87 PHE HB3 . 17036 1 842 . 1 1 87 87 PHE HD1 H 1 7.159 0.020 . 1 . . . . . 87 PHE HD1 . 17036 1 843 . 1 1 87 87 PHE HD2 H 1 7.159 0.020 . 1 . . . . . 87 PHE HD2 . 17036 1 844 . 1 1 87 87 PHE HE1 H 1 7.197 0.020 . 1 . . . . . 87 PHE HE1 . 17036 1 845 . 1 1 87 87 PHE HE2 H 1 7.197 0.020 . 1 . . . . . 87 PHE HE2 . 17036 1 846 . 1 1 87 87 PHE HZ H 1 7.315 0.020 . 1 . . . . . 87 PHE HZ . 17036 1 847 . 1 1 87 87 PHE CA C 13 54.947 0.400 . 1 . . . . . 87 PHE CA . 17036 1 848 . 1 1 87 87 PHE CB C 13 42.492 0.400 . 1 . . . . . 87 PHE CB . 17036 1 849 . 1 1 87 87 PHE CD1 C 13 131.456 0.400 . 1 . . . . . 87 PHE CD1 . 17036 1 850 . 1 1 87 87 PHE CD2 C 13 131.330 0.400 . 1 . . . . . 87 PHE CD2 . 17036 1 851 . 1 1 87 87 PHE CE1 C 13 131.194 0.400 . 1 . . . . . 87 PHE CE1 . 17036 1 852 . 1 1 87 87 PHE CE2 C 13 61.245 0.400 . 1 . . . . . 87 PHE CE2 . 17036 1 853 . 1 1 87 87 PHE CZ C 13 131.140 0.400 . 1 . . . . . 87 PHE CZ . 17036 1 854 . 1 1 87 87 PHE N N 15 124.052 0.400 . 1 . . . . . 87 PHE N . 17036 1 855 . 1 1 88 88 PRO HA H 1 3.385 0.020 . 1 . . . . . 88 PRO HA . 17036 1 856 . 1 1 88 88 PRO HB2 H 1 1.635 0.020 . 2 . . . . . 88 PRO HB2 . 17036 1 857 . 1 1 88 88 PRO HB3 H 1 1.625 0.020 . 2 . . . . . 88 PRO HB3 . 17036 1 858 . 1 1 88 88 PRO HD2 H 1 3.374 0.020 . 2 . . . . . 88 PRO HD2 . 17036 1 859 . 1 1 88 88 PRO HD3 H 1 3.146 0.020 . 2 . . . . . 88 PRO HD3 . 17036 1 860 . 1 1 88 88 PRO HG2 H 1 1.372 0.020 . 2 . . . . . 88 PRO HG2 . 17036 1 861 . 1 1 88 88 PRO HG3 H 1 1.642 0.020 . 2 . . . . . 88 PRO HG3 . 17036 1 862 . 1 1 88 88 PRO CA C 13 61.030 0.400 . 1 . . . . . 88 PRO CA . 17036 1 863 . 1 1 88 88 PRO CB C 13 31.906 0.400 . 1 . . . . . 88 PRO CB . 17036 1 864 . 1 1 88 88 PRO CD C 13 49.134 0.400 . 1 . . . . . 88 PRO CD . 17036 1 865 . 1 1 88 88 PRO CG C 13 25.023 0.400 . 1 . . . . . 88 PRO CG . 17036 1 866 . 1 1 89 89 PRO HA H 1 4.537 0.020 . 1 . . . . . 89 PRO HA . 17036 1 867 . 1 1 89 89 PRO HB2 H 1 1.841 0.020 . 2 . . . . . 89 PRO HB2 . 17036 1 868 . 1 1 89 89 PRO HB3 H 1 2.304 0.020 . 2 . . . . . 89 PRO HB3 . 17036 1 869 . 1 1 89 89 PRO HD2 H 1 3.548 0.020 . 2 . . . . . 89 PRO HD2 . 17036 1 870 . 1 1 89 89 PRO HD3 H 1 3.454 0.020 . 2 . . . . . 89 PRO HD3 . 17036 1 871 . 1 1 89 89 PRO HG2 H 1 2.019 0.020 . 2 . . . . . 89 PRO HG2 . 17036 1 872 . 1 1 89 89 PRO HG3 H 1 2.018 0.020 . 2 . . . . . 89 PRO HG3 . 17036 1 873 . 1 1 89 89 PRO CA C 13 61.030 0.400 . 1 . . . . . 89 PRO CA . 17036 1 874 . 1 1 89 89 PRO CB C 13 30.405 0.400 . 1 . . . . . 89 PRO CB . 17036 1 875 . 1 1 89 89 PRO CD C 13 49.927 0.400 . 1 . . . . . 89 PRO CD . 17036 1 876 . 1 1 89 89 PRO CG C 13 27.140 0.400 . 1 . . . . . 89 PRO CG . 17036 1 877 . 1 1 90 90 PRO HA H 1 4.320 0.020 . 1 . . . . . 90 PRO HA . 17036 1 878 . 1 1 90 90 PRO HB2 H 1 2.177 0.020 . 2 . . . . . 90 PRO HB2 . 17036 1 879 . 1 1 90 90 PRO HB3 H 1 1.916 0.020 . 2 . . . . . 90 PRO HB3 . 17036 1 880 . 1 1 90 90 PRO HD2 H 1 3.675 0.020 . 2 . . . . . 90 PRO HD2 . 17036 1 881 . 1 1 90 90 PRO HD3 H 1 3.629 0.020 . 2 . . . . . 90 PRO HD3 . 17036 1 882 . 1 1 90 90 PRO HG2 H 1 1.995 0.020 . 2 . . . . . 90 PRO HG2 . 17036 1 883 . 1 1 90 90 PRO HG3 H 1 1.993 0.020 . 2 . . . . . 90 PRO HG3 . 17036 1 884 . 1 1 90 90 PRO CA C 13 62.463 0.400 . 1 . . . . . 90 PRO CA . 17036 1 885 . 1 1 90 90 PRO CB C 13 31.294 0.400 . 1 . . . . . 90 PRO CB . 17036 1 886 . 1 1 90 90 PRO CD C 13 50.430 0.400 . 1 . . . . . 90 PRO CD . 17036 1 887 . 1 1 90 90 PRO CG C 13 27.140 0.400 . 1 . . . . . 90 PRO CG . 17036 1 888 . 1 1 91 91 LEU H H 1 7.780 0.020 . 1 . . . . . 91 LEU H . 17036 1 889 . 1 1 91 91 LEU HA H 1 4.077 0.020 . 1 . . . . . 91 LEU HA . 17036 1 890 . 1 1 91 91 LEU HB2 H 1 1.494 0.020 . 2 . . . . . 91 LEU HB2 . 17036 1 891 . 1 1 91 91 LEU HB3 H 1 1.487 0.020 . 2 . . . . . 91 LEU HB3 . 17036 1 892 . 1 1 91 91 LEU HD11 H 1 0.841 0.020 . 2 . . . . . 91 LEU HD1 . 17036 1 893 . 1 1 91 91 LEU HD12 H 1 0.841 0.020 . 2 . . . . . 91 LEU HD1 . 17036 1 894 . 1 1 91 91 LEU HD13 H 1 0.841 0.020 . 2 . . . . . 91 LEU HD1 . 17036 1 895 . 1 1 91 91 LEU HD21 H 1 0.809 0.020 . 2 . . . . . 91 LEU HD2 . 17036 1 896 . 1 1 91 91 LEU HD22 H 1 0.809 0.020 . 2 . . . . . 91 LEU HD2 . 17036 1 897 . 1 1 91 91 LEU HD23 H 1 0.809 0.020 . 2 . . . . . 91 LEU HD2 . 17036 1 898 . 1 1 91 91 LEU HG H 1 1.540 0.020 . 1 . . . . . 91 LEU HG . 17036 1 899 . 1 1 91 91 LEU CA C 13 56.463 0.400 . 1 . . . . . 91 LEU CA . 17036 1 900 . 1 1 91 91 LEU CB C 13 43.295 0.400 . 1 . . . . . 91 LEU CB . 17036 1 901 . 1 1 91 91 LEU CD1 C 13 25.073 0.400 . 1 . . . . . 91 LEU CD1 . 17036 1 902 . 1 1 91 91 LEU CD2 C 13 23.396 0.400 . 1 . . . . . 91 LEU CD2 . 17036 1 903 . 1 1 91 91 LEU CG C 13 26.770 0.400 . 1 . . . . . 91 LEU CG . 17036 1 904 . 1 1 91 91 LEU N N 15 127.880 0.400 . 1 . . . . . 91 LEU N . 17036 1 stop_ save_