################################### # 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_hr4783b.str _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hr4783b.str _Assigned_chem_shift_list.Entry_ID 19312 _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 $DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 19312 1 2 '2D CT 1H-13C HSQC ali' . . . 19312 1 3 '3D HNCO' . . . 19312 1 4 '3D CBCA(CO)NH' . . . 19312 1 5 '3D HNCACB' . . . 19312 1 6 '2D CT 1H-13C HSQC aro' . . . 19312 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 19312 1 8 '3D CCH-TOCSY' . . . 19312 1 9 '3D HBHA(CO)NH' . . . 19312 1 10 '2D 1H-15N HSQC_His' . . . 19312 1 11 '2D 1H-15N HSQC_wide' . . . 19312 1 12 '3D (H)CCH-COSY ali' . . . 19312 1 13 '2D 1H-13C HSQC_methyl' . . . 19312 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HD2 H 1 7.002 0.02 . 1 . . . A 2 HIS HD2 . 19312 1 2 . 1 1 2 2 HIS HE1 H 1 7.770 0.02 . 1 . . . A 2 HIS HE1 . 19312 1 3 . 1 1 2 2 HIS CD2 C 13 119.600 0.4 . 1 . . . A 2 HIS CD2 . 19312 1 4 . 1 1 2 2 HIS CE1 C 13 138.733 0.4 . 1 . . . A 2 HIS CE1 . 19312 1 5 . 1 1 2 2 HIS ND1 N 15 228.600 0.4 . 1 . . . A 2 HIS ND1 . 19312 1 6 . 1 1 2 2 HIS NE2 N 15 178.943 0.4 . 1 . . . A 2 HIS NE2 . 19312 1 7 . 1 1 3 3 MET HA H 1 4.446 0.02 . 1 . . . A 3 MET HA . 19312 1 8 . 1 1 3 3 MET HB2 H 1 2.396 0.02 . 1 . . . A 3 MET HB2 . 19312 1 9 . 1 1 3 3 MET HB3 H 1 2.396 0.02 . 1 . . . A 3 MET HB3 . 19312 1 10 . 1 1 3 3 MET HG2 H 1 2.492 0.02 . 2 . . . A 3 MET HG2 . 19312 1 11 . 1 1 3 3 MET HG3 H 1 2.416 0.02 . 2 . . . A 3 MET HG3 . 19312 1 12 . 1 1 3 3 MET HE1 H 1 2.068 0.02 . 1 . . . A 3 MET HE1 . 19312 1 13 . 1 1 3 3 MET HE2 H 1 2.068 0.02 . 1 . . . A 3 MET HE2 . 19312 1 14 . 1 1 3 3 MET HE3 H 1 2.068 0.02 . 1 . . . A 3 MET HE3 . 19312 1 15 . 1 1 3 3 MET CA C 13 55.519 0.4 . 1 . . . A 3 MET CA . 19312 1 16 . 1 1 3 3 MET CB C 13 31.326 0.4 . 1 . . . A 3 MET CB . 19312 1 17 . 1 1 3 3 MET CG C 13 31.738 0.4 . 1 . . . A 3 MET CG . 19312 1 18 . 1 1 3 3 MET CE C 13 16.759 0.4 . 1 . . . A 3 MET CE . 19312 1 19 . 1 1 5 5 ALA HA H 1 4.331 0.02 . 1 . . . A 5 ALA HA . 19312 1 20 . 1 1 5 5 ALA HB1 H 1 1.418 0.02 . 1 . . . A 5 ALA HB1 . 19312 1 21 . 1 1 5 5 ALA HB2 H 1 1.418 0.02 . 1 . . . A 5 ALA HB2 . 19312 1 22 . 1 1 5 5 ALA HB3 H 1 1.418 0.02 . 1 . . . A 5 ALA HB3 . 19312 1 23 . 1 1 5 5 ALA CA C 13 52.790 0.4 . 1 . . . A 5 ALA CA . 19312 1 24 . 1 1 5 5 ALA CB C 13 18.994 0.4 . 1 . . . A 5 ALA CB . 19312 1 25 . 1 1 6 6 SER H H 1 8.188 0.02 . 1 . . . A 6 SER H . 19312 1 26 . 1 1 6 6 SER HA H 1 4.396 0.02 . 1 . . . A 6 SER HA . 19312 1 27 . 1 1 6 6 SER HB2 H 1 3.860 0.02 . 1 . . . A 6 SER HB2 . 19312 1 28 . 1 1 6 6 SER HB3 H 1 3.860 0.02 . 1 . . . A 6 SER HB3 . 19312 1 29 . 1 1 6 6 SER C C 13 174.599 0.4 . 1 . . . A 6 SER C . 19312 1 30 . 1 1 6 6 SER CA C 13 58.426 0.4 . 1 . . . A 6 SER CA . 19312 1 31 . 1 1 6 6 SER CB C 13 63.600 0.4 . 1 . . . A 6 SER CB . 19312 1 32 . 1 1 6 6 SER N N 15 114.306 0.4 . 1 . . . A 6 SER N . 19312 1 33 . 1 1 7 7 ARG H H 1 8.174 0.02 . 1 . . . A 7 ARG H . 19312 1 34 . 1 1 7 7 ARG C C 13 173.973 0.4 . 1 . . . A 7 ARG C . 19312 1 35 . 1 1 7 7 ARG CA C 13 55.973 0.4 . 1 . . . A 7 ARG CA . 19312 1 36 . 1 1 7 7 ARG CB C 13 30.636 0.4 . 1 . . . A 7 ARG CB . 19312 1 37 . 1 1 7 7 ARG CD C 13 43.300 0.4 . 1 . . . A 7 ARG CD . 19312 1 38 . 1 1 7 7 ARG N N 15 122.597 0.4 . 1 . . . A 7 ARG N . 19312 1 39 . 1 1 8 8 ARG H H 1 8.310 0.02 . 1 . . . A 8 ARG H . 19312 1 40 . 1 1 8 8 ARG HA H 1 4.345 0.02 . 1 . . . A 8 ARG HA . 19312 1 41 . 1 1 8 8 ARG C C 13 176.078 0.4 . 1 . . . A 8 ARG C . 19312 1 42 . 1 1 8 8 ARG CA C 13 55.944 0.4 . 1 . . . A 8 ARG CA . 19312 1 43 . 1 1 8 8 ARG CB C 13 30.600 0.4 . 1 . . . A 8 ARG CB . 19312 1 44 . 1 1 8 8 ARG CD C 13 43.300 0.4 . 1 . . . A 8 ARG CD . 19312 1 45 . 1 1 8 8 ARG N N 15 122.661 0.4 . 1 . . . A 8 ARG N . 19312 1 46 . 1 1 9 9 VAL H H 1 8.044 0.02 . 1 . . . A 9 VAL H . 19312 1 47 . 1 1 9 9 VAL HA H 1 4.143 0.02 . 1 . . . A 9 VAL HA . 19312 1 48 . 1 1 9 9 VAL HB H 1 2.053 0.02 . 1 . . . A 9 VAL HB . 19312 1 49 . 1 1 9 9 VAL HG11 H 1 0.912 0.02 . 1 . . . A 9 VAL HG11 . 19312 1 50 . 1 1 9 9 VAL HG12 H 1 0.912 0.02 . 1 . . . A 9 VAL HG12 . 19312 1 51 . 1 1 9 9 VAL HG13 H 1 0.912 0.02 . 1 . . . A 9 VAL HG13 . 19312 1 52 . 1 1 9 9 VAL HG21 H 1 0.918 0.02 . 1 . . . A 9 VAL HG21 . 19312 1 53 . 1 1 9 9 VAL HG22 H 1 0.918 0.02 . 1 . . . A 9 VAL HG22 . 19312 1 54 . 1 1 9 9 VAL HG23 H 1 0.918 0.02 . 1 . . . A 9 VAL HG23 . 19312 1 55 . 1 1 9 9 VAL C C 13 176.228 0.4 . 1 . . . A 9 VAL C . 19312 1 56 . 1 1 9 9 VAL CA C 13 61.926 0.4 . 1 . . . A 9 VAL CA . 19312 1 57 . 1 1 9 9 VAL CB C 13 32.884 0.4 . 1 . . . A 9 VAL CB . 19312 1 58 . 1 1 9 9 VAL CG1 C 13 20.979 0.4 . 1 . . . A 9 VAL CG1 . 19312 1 59 . 1 1 9 9 VAL CG2 C 13 20.229 0.4 . 1 . . . A 9 VAL CG2 . 19312 1 60 . 1 1 9 9 VAL N N 15 120.364 0.4 . 1 . . . A 9 VAL N . 19312 1 61 . 1 1 10 10 GLY H H 1 8.359 0.02 . 1 . . . A 10 GLY H . 19312 1 62 . 1 1 10 10 GLY HA2 H 1 3.888 0.02 . 1 . . . A 10 GLY HA2 . 19312 1 63 . 1 1 10 10 GLY HA3 H 1 3.888 0.02 . 1 . . . A 10 GLY HA3 . 19312 1 64 . 1 1 10 10 GLY C C 13 173.297 0.4 . 1 . . . A 10 GLY C . 19312 1 65 . 1 1 10 10 GLY CA C 13 44.861 0.4 . 1 . . . A 10 GLY CA . 19312 1 66 . 1 1 10 10 GLY N N 15 112.431 0.4 . 1 . . . A 10 GLY N . 19312 1 67 . 1 1 11 11 LEU H H 1 7.791 0.02 . 1 . . . A 11 LEU H . 19312 1 68 . 1 1 11 11 LEU HA H 1 4.020 0.02 . 1 . . . A 11 LEU HA . 19312 1 69 . 1 1 11 11 LEU HB2 H 1 0.284 0.02 . 2 . . . A 11 LEU HB2 . 19312 1 70 . 1 1 11 11 LEU HB3 H 1 0.758 0.02 . 2 . . . A 11 LEU HB3 . 19312 1 71 . 1 1 11 11 LEU HG H 1 0.933 0.02 . 1 . . . A 11 LEU HG . 19312 1 72 . 1 1 11 11 LEU HD11 H 1 0.103 0.02 . 1 . . . A 11 LEU HD11 . 19312 1 73 . 1 1 11 11 LEU HD12 H 1 0.103 0.02 . 1 . . . A 11 LEU HD12 . 19312 1 74 . 1 1 11 11 LEU HD13 H 1 0.103 0.02 . 1 . . . A 11 LEU HD13 . 19312 1 75 . 1 1 11 11 LEU HD21 H 1 0.267 0.02 . 1 . . . A 11 LEU HD21 . 19312 1 76 . 1 1 11 11 LEU HD22 H 1 0.267 0.02 . 1 . . . A 11 LEU HD22 . 19312 1 77 . 1 1 11 11 LEU HD23 H 1 0.267 0.02 . 1 . . . A 11 LEU HD23 . 19312 1 78 . 1 1 11 11 LEU C C 13 175.329 0.4 . 1 . . . A 11 LEU C . 19312 1 79 . 1 1 11 11 LEU CA C 13 54.681 0.4 . 1 . . . A 11 LEU CA . 19312 1 80 . 1 1 11 11 LEU CB C 13 41.985 0.4 . 1 . . . A 11 LEU CB . 19312 1 81 . 1 1 11 11 LEU CG C 13 26.347 0.4 . 1 . . . A 11 LEU CG . 19312 1 82 . 1 1 11 11 LEU CD1 C 13 23.775 0.4 . 1 . . . A 11 LEU CD1 . 19312 1 83 . 1 1 11 11 LEU CD2 C 13 22.993 0.4 . 1 . . . A 11 LEU CD2 . 19312 1 84 . 1 1 11 11 LEU N N 15 122.163 0.4 . 1 . . . A 11 LEU N . 19312 1 85 . 1 1 12 12 SER H H 1 7.370 0.02 . 1 . . . A 12 SER H . 19312 1 86 . 1 1 12 12 SER HA H 1 5.008 0.02 . 1 . . . A 12 SER HA . 19312 1 87 . 1 1 12 12 SER HB2 H 1 3.454 0.02 . 2 . . . A 12 SER HB2 . 19312 1 88 . 1 1 12 12 SER HB3 H 1 3.533 0.02 . 2 . . . A 12 SER HB3 . 19312 1 89 . 1 1 12 12 SER C C 13 172.984 0.4 . 1 . . . A 12 SER C . 19312 1 90 . 1 1 12 12 SER CA C 13 56.015 0.4 . 1 . . . A 12 SER CA . 19312 1 91 . 1 1 12 12 SER CB C 13 65.417 0.4 . 1 . . . A 12 SER CB . 19312 1 92 . 1 1 12 12 SER N N 15 113.571 0.4 . 1 . . . A 12 SER N . 19312 1 93 . 1 1 13 13 CYS H H 1 8.847 0.02 . 1 . . . A 13 CYS H . 19312 1 94 . 1 1 13 13 CYS HA H 1 4.436 0.02 . 1 . . . A 13 CYS HA . 19312 1 95 . 1 1 13 13 CYS HB2 H 1 3.017 0.02 . 1 . . . A 13 CYS HB2 . 19312 1 96 . 1 1 13 13 CYS HB3 H 1 3.486 0.02 . 1 . . . A 13 CYS HB3 . 19312 1 97 . 1 1 13 13 CYS C C 13 177.379 0.4 . 1 . . . A 13 CYS C . 19312 1 98 . 1 1 13 13 CYS CA C 13 59.612 0.4 . 1 . . . A 13 CYS CA . 19312 1 99 . 1 1 13 13 CYS CB C 13 31.140 0.4 . 1 . . . A 13 CYS CB . 19312 1 100 . 1 1 13 13 CYS N N 15 123.033 0.4 . 1 . . . A 13 CYS N . 19312 1 101 . 1 1 14 14 ALA H H 1 9.562 0.02 . 1 . . . A 14 ALA H . 19312 1 102 . 1 1 14 14 ALA HA H 1 4.166 0.02 . 1 . . . A 14 ALA HA . 19312 1 103 . 1 1 14 14 ALA HB1 H 1 1.443 0.02 . 1 . . . A 14 ALA HB1 . 19312 1 104 . 1 1 14 14 ALA HB2 H 1 1.443 0.02 . 1 . . . A 14 ALA HB2 . 19312 1 105 . 1 1 14 14 ALA HB3 H 1 1.443 0.02 . 1 . . . A 14 ALA HB3 . 19312 1 106 . 1 1 14 14 ALA C C 13 177.542 0.4 . 1 . . . A 14 ALA C . 19312 1 107 . 1 1 14 14 ALA CA C 13 55.009 0.4 . 1 . . . A 14 ALA CA . 19312 1 108 . 1 1 14 14 ALA CB C 13 18.984 0.4 . 1 . . . A 14 ALA CB . 19312 1 109 . 1 1 14 14 ALA N N 15 133.515 0.4 . 1 . . . A 14 ALA N . 19312 1 110 . 1 1 15 15 ASN H H 1 9.082 0.02 . 1 . . . A 15 ASN H . 19312 1 111 . 1 1 15 15 ASN HA H 1 4.982 0.02 . 1 . . . A 15 ASN HA . 19312 1 112 . 1 1 15 15 ASN HB2 H 1 2.696 0.02 . 1 . . . A 15 ASN HB2 . 19312 1 113 . 1 1 15 15 ASN HB3 H 1 3.517 0.02 . 1 . . . A 15 ASN HB3 . 19312 1 114 . 1 1 15 15 ASN HD21 H 1 8.712 0.02 . 1 . . . A 15 ASN HD21 . 19312 1 115 . 1 1 15 15 ASN HD22 H 1 7.603 0.02 . 1 . . . A 15 ASN HD22 . 19312 1 116 . 1 1 15 15 ASN C C 13 174.972 0.4 . 1 . . . A 15 ASN C . 19312 1 117 . 1 1 15 15 ASN CA C 13 55.785 0.4 . 1 . . . A 15 ASN CA . 19312 1 118 . 1 1 15 15 ASN CB C 13 40.025 0.4 . 1 . . . A 15 ASN CB . 19312 1 119 . 1 1 15 15 ASN N N 15 116.510 0.4 . 1 . . . A 15 ASN N . 19312 1 120 . 1 1 15 15 ASN ND2 N 15 118.438 0.4 . 1 . . . A 15 ASN ND2 . 19312 1 121 . 1 1 16 16 CYS H H 1 8.754 0.02 . 1 . . . A 16 CYS H . 19312 1 122 . 1 1 16 16 CYS HA H 1 4.915 0.02 . 1 . . . A 16 CYS HA . 19312 1 123 . 1 1 16 16 CYS HB2 H 1 3.284 0.02 . 2 . . . A 16 CYS HB2 . 19312 1 124 . 1 1 16 16 CYS HB3 H 1 2.434 0.02 . 2 . . . A 16 CYS HB3 . 19312 1 125 . 1 1 16 16 CYS C C 13 176.148 0.4 . 1 . . . A 16 CYS C . 19312 1 126 . 1 1 16 16 CYS CA C 13 59.148 0.4 . 1 . . . A 16 CYS CA . 19312 1 127 . 1 1 16 16 CYS CB C 13 33.675 0.4 . 1 . . . A 16 CYS CB . 19312 1 128 . 1 1 16 16 CYS N N 15 118.086 0.4 . 1 . . . A 16 CYS N . 19312 1 129 . 1 1 17 17 GLN H H 1 8.154 0.02 . 1 . . . A 17 GLN H . 19312 1 130 . 1 1 17 17 GLN HA H 1 4.283 0.02 . 1 . . . A 17 GLN HA . 19312 1 131 . 1 1 17 17 GLN HB2 H 1 2.369 0.02 . 2 . . . A 17 GLN HB2 . 19312 1 132 . 1 1 17 17 GLN HB3 H 1 2.501 0.02 . 2 . . . A 17 GLN HB3 . 19312 1 133 . 1 1 17 17 GLN HG2 H 1 2.268 0.02 . 1 . . . A 17 GLN HG2 . 19312 1 134 . 1 1 17 17 GLN HG3 H 1 2.268 0.02 . 1 . . . A 17 GLN HG3 . 19312 1 135 . 1 1 17 17 GLN HE21 H 1 7.240 0.02 . 2 . . . A 17 GLN HE21 . 19312 1 136 . 1 1 17 17 GLN HE22 H 1 6.507 0.02 . 2 . . . A 17 GLN HE22 . 19312 1 137 . 1 1 17 17 GLN C C 13 175.056 0.4 . 1 . . . A 17 GLN C . 19312 1 138 . 1 1 17 17 GLN CA C 13 58.268 0.4 . 1 . . . A 17 GLN CA . 19312 1 139 . 1 1 17 17 GLN CB C 13 25.963 0.4 . 1 . . . A 17 GLN CB . 19312 1 140 . 1 1 17 17 GLN CG C 13 34.462 0.4 . 1 . . . A 17 GLN CG . 19312 1 141 . 1 1 17 17 GLN N N 15 115.957 0.4 . 1 . . . A 17 GLN N . 19312 1 142 . 1 1 17 17 GLN NE2 N 15 112.208 0.4 . 1 . . . A 17 GLN NE2 . 19312 1 143 . 1 1 18 18 THR H H 1 8.570 0.02 . 1 . . . A 18 THR H . 19312 1 144 . 1 1 18 18 THR HA H 1 4.572 0.02 . 1 . . . A 18 THR HA . 19312 1 145 . 1 1 18 18 THR HB H 1 4.609 0.02 . 1 . . . A 18 THR HB . 19312 1 146 . 1 1 18 18 THR HG21 H 1 1.183 0.02 . 1 . . . A 18 THR HG21 . 19312 1 147 . 1 1 18 18 THR HG22 H 1 1.183 0.02 . 1 . . . A 18 THR HG22 . 19312 1 148 . 1 1 18 18 THR HG23 H 1 1.183 0.02 . 1 . . . A 18 THR HG23 . 19312 1 149 . 1 1 18 18 THR C C 13 173.541 0.4 . 1 . . . A 18 THR C . 19312 1 150 . 1 1 18 18 THR CA C 13 63.333 0.4 . 1 . . . A 18 THR CA . 19312 1 151 . 1 1 18 18 THR CB C 13 68.470 0.4 . 1 . . . A 18 THR CB . 19312 1 152 . 1 1 18 18 THR CG2 C 13 21.965 0.4 . 1 . . . A 18 THR CG2 . 19312 1 153 . 1 1 18 18 THR N N 15 116.736 0.4 . 1 . . . A 18 THR N . 19312 1 154 . 1 1 19 19 THR H H 1 8.210 0.02 . 1 . . . A 19 THR H . 19312 1 155 . 1 1 19 19 THR HA H 1 5.110 0.02 . 1 . . . A 19 THR HA . 19312 1 156 . 1 1 19 19 THR HB H 1 4.763 0.02 . 1 . . . A 19 THR HB . 19312 1 157 . 1 1 19 19 THR HG21 H 1 1.338 0.02 . 1 . . . A 19 THR HG21 . 19312 1 158 . 1 1 19 19 THR HG22 H 1 1.338 0.02 . 1 . . . A 19 THR HG22 . 19312 1 159 . 1 1 19 19 THR HG23 H 1 1.338 0.02 . 1 . . . A 19 THR HG23 . 19312 1 160 . 1 1 19 19 THR C C 13 175.052 0.4 . 1 . . . A 19 THR C . 19312 1 161 . 1 1 19 19 THR CA C 13 61.201 0.4 . 1 . . . A 19 THR CA . 19312 1 162 . 1 1 19 19 THR CB C 13 69.800 0.4 . 1 . . . A 19 THR CB . 19312 1 163 . 1 1 19 19 THR CG2 C 13 21.482 0.4 . 1 . . . A 19 THR CG2 . 19312 1 164 . 1 1 19 19 THR N N 15 112.629 0.4 . 1 . . . A 19 THR N . 19312 1 165 . 1 1 20 20 THR H H 1 8.289 0.02 . 1 . . . A 20 THR H . 19312 1 166 . 1 1 20 20 THR HA H 1 4.806 0.02 . 1 . . . A 20 THR HA . 19312 1 167 . 1 1 20 20 THR HB H 1 4.006 0.02 . 1 . . . A 20 THR HB . 19312 1 168 . 1 1 20 20 THR HG21 H 1 1.152 0.02 . 1 . . . A 20 THR HG21 . 19312 1 169 . 1 1 20 20 THR HG22 H 1 1.152 0.02 . 1 . . . A 20 THR HG22 . 19312 1 170 . 1 1 20 20 THR HG23 H 1 1.152 0.02 . 1 . . . A 20 THR HG23 . 19312 1 171 . 1 1 20 20 THR C C 13 171.976 0.4 . 1 . . . A 20 THR C . 19312 1 172 . 1 1 20 20 THR CA C 13 60.247 0.4 . 1 . . . A 20 THR CA . 19312 1 173 . 1 1 20 20 THR CB C 13 70.586 0.4 . 1 . . . A 20 THR CB . 19312 1 174 . 1 1 20 20 THR CG2 C 13 20.655 0.4 . 1 . . . A 20 THR CG2 . 19312 1 175 . 1 1 20 20 THR N N 15 117.956 0.4 . 1 . . . A 20 THR N . 19312 1 176 . 1 1 21 21 THR H H 1 7.935 0.02 . 1 . . . A 21 THR H . 19312 1 177 . 1 1 21 21 THR HA H 1 4.473 0.02 . 1 . . . A 21 THR HA . 19312 1 178 . 1 1 21 21 THR HB H 1 3.721 0.02 . 1 . . . A 21 THR HB . 19312 1 179 . 1 1 21 21 THR HG21 H 1 -0.757 0.02 . 1 . . . A 21 THR HG21 . 19312 1 180 . 1 1 21 21 THR HG22 H 1 -0.757 0.02 . 1 . . . A 21 THR HG22 . 19312 1 181 . 1 1 21 21 THR HG23 H 1 -0.757 0.02 . 1 . . . A 21 THR HG23 . 19312 1 182 . 1 1 21 21 THR CA C 13 60.102 0.4 . 1 . . . A 21 THR CA . 19312 1 183 . 1 1 21 21 THR CB C 13 67.491 0.4 . 1 . . . A 21 THR CB . 19312 1 184 . 1 1 21 21 THR CG2 C 13 15.353 0.4 . 1 . . . A 21 THR CG2 . 19312 1 185 . 1 1 21 21 THR N N 15 117.356 0.4 . 1 . . . A 21 THR N . 19312 1 186 . 1 1 22 22 THR HA H 1 4.146 0.02 . 1 . . . A 22 THR HA . 19312 1 187 . 1 1 22 22 THR HB H 1 4.188 0.02 . 1 . . . A 22 THR HB . 19312 1 188 . 1 1 22 22 THR HG21 H 1 1.227 0.02 . 1 . . . A 22 THR HG21 . 19312 1 189 . 1 1 22 22 THR HG22 H 1 1.227 0.02 . 1 . . . A 22 THR HG22 . 19312 1 190 . 1 1 22 22 THR HG23 H 1 1.227 0.02 . 1 . . . A 22 THR HG23 . 19312 1 191 . 1 1 22 22 THR C C 13 174.768 0.4 . 1 . . . A 22 THR C . 19312 1 192 . 1 1 22 22 THR CA C 13 62.686 0.4 . 1 . . . A 22 THR CA . 19312 1 193 . 1 1 22 22 THR CB C 13 68.860 0.4 . 1 . . . A 22 THR CB . 19312 1 194 . 1 1 22 22 THR CG2 C 13 22.275 0.4 . 1 . . . A 22 THR CG2 . 19312 1 195 . 1 1 23 23 LEU H H 1 6.977 0.02 . 1 . . . A 23 LEU H . 19312 1 196 . 1 1 23 23 LEU HA H 1 4.335 0.02 . 1 . . . A 23 LEU HA . 19312 1 197 . 1 1 23 23 LEU HB2 H 1 1.442 0.02 . 1 . . . A 23 LEU HB2 . 19312 1 198 . 1 1 23 23 LEU HB3 H 1 1.442 0.02 . 1 . . . A 23 LEU HB3 . 19312 1 199 . 1 1 23 23 LEU HG H 1 1.346 0.02 . 1 . . . A 23 LEU HG . 19312 1 200 . 1 1 23 23 LEU HD11 H 1 0.922 0.02 . 1 . . . A 23 LEU HD11 . 19312 1 201 . 1 1 23 23 LEU HD12 H 1 0.922 0.02 . 1 . . . A 23 LEU HD12 . 19312 1 202 . 1 1 23 23 LEU HD13 H 1 0.922 0.02 . 1 . . . A 23 LEU HD13 . 19312 1 203 . 1 1 23 23 LEU HD21 H 1 0.771 0.02 . 1 . . . A 23 LEU HD21 . 19312 1 204 . 1 1 23 23 LEU HD22 H 1 0.771 0.02 . 1 . . . A 23 LEU HD22 . 19312 1 205 . 1 1 23 23 LEU HD23 H 1 0.771 0.02 . 1 . . . A 23 LEU HD23 . 19312 1 206 . 1 1 23 23 LEU C C 13 173.967 0.4 . 1 . . . A 23 LEU C . 19312 1 207 . 1 1 23 23 LEU CA C 13 55.281 0.4 . 1 . . . A 23 LEU CA . 19312 1 208 . 1 1 23 23 LEU CB C 13 44.591 0.4 . 1 . . . A 23 LEU CB . 19312 1 209 . 1 1 23 23 LEU CG C 13 26.974 0.4 . 1 . . . A 23 LEU CG . 19312 1 210 . 1 1 23 23 LEU CD1 C 13 23.787 0.4 . 1 . . . A 23 LEU CD1 . 19312 1 211 . 1 1 23 23 LEU CD2 C 13 25.200 0.4 . 1 . . . A 23 LEU CD2 . 19312 1 212 . 1 1 23 23 LEU N N 15 123.337 0.4 . 1 . . . A 23 LEU N . 19312 1 213 . 1 1 24 24 TRP H H 1 8.410 0.02 . 1 . . . A 24 TRP H . 19312 1 214 . 1 1 24 24 TRP HA H 1 4.634 0.02 . 1 . . . A 24 TRP HA . 19312 1 215 . 1 1 24 24 TRP HB2 H 1 3.024 0.02 . 1 . . . A 24 TRP HB2 . 19312 1 216 . 1 1 24 24 TRP HB3 H 1 3.141 0.02 . 1 . . . A 24 TRP HB3 . 19312 1 217 . 1 1 24 24 TRP HD1 H 1 7.179 0.02 . 1 . . . A 24 TRP HD1 . 19312 1 218 . 1 1 24 24 TRP HE1 H 1 9.993 0.02 . 1 . . . A 24 TRP HE1 . 19312 1 219 . 1 1 24 24 TRP HE3 H 1 7.295 0.02 . 1 . . . A 24 TRP HE3 . 19312 1 220 . 1 1 24 24 TRP HZ2 H 1 7.053 0.02 . 1 . . . A 24 TRP HZ2 . 19312 1 221 . 1 1 24 24 TRP HZ3 H 1 6.317 0.02 . 1 . . . A 24 TRP HZ3 . 19312 1 222 . 1 1 24 24 TRP HH2 H 1 7.071 0.02 . 1 . . . A 24 TRP HH2 . 19312 1 223 . 1 1 24 24 TRP C C 13 176.694 0.4 . 1 . . . A 24 TRP C . 19312 1 224 . 1 1 24 24 TRP CA C 13 57.089 0.4 . 1 . . . A 24 TRP CA . 19312 1 225 . 1 1 24 24 TRP CB C 13 29.782 0.4 . 1 . . . A 24 TRP CB . 19312 1 226 . 1 1 24 24 TRP CD1 C 13 126.693 0.4 . 1 . . . A 24 TRP CD1 . 19312 1 227 . 1 1 24 24 TRP CE3 C 13 120.108 0.4 . 1 . . . A 24 TRP CE3 . 19312 1 228 . 1 1 24 24 TRP CZ2 C 13 114.469 0.4 . 1 . . . A 24 TRP CZ2 . 19312 1 229 . 1 1 24 24 TRP CZ3 C 13 119.269 0.4 . 1 . . . A 24 TRP CZ3 . 19312 1 230 . 1 1 24 24 TRP CH2 C 13 123.425 0.4 . 1 . . . A 24 TRP CH2 . 19312 1 231 . 1 1 24 24 TRP N N 15 124.656 0.4 . 1 . . . A 24 TRP N . 19312 1 232 . 1 1 24 24 TRP NE1 N 15 128.070 0.4 . 1 . . . A 24 TRP NE1 . 19312 1 233 . 1 1 25 25 ARG H H 1 9.147 0.02 . 1 . . . A 25 ARG H . 19312 1 234 . 1 1 25 25 ARG HA H 1 4.659 0.02 . 1 . . . A 25 ARG HA . 19312 1 235 . 1 1 25 25 ARG HB2 H 1 1.411 0.02 . 1 . . . A 25 ARG HB2 . 19312 1 236 . 1 1 25 25 ARG HB3 H 1 2.032 0.02 . 1 . . . A 25 ARG HB3 . 19312 1 237 . 1 1 25 25 ARG HG2 H 1 1.495 0.02 . 2 . . . A 25 ARG HG2 . 19312 1 238 . 1 1 25 25 ARG HG3 H 1 1.638 0.02 . 2 . . . A 25 ARG HG3 . 19312 1 239 . 1 1 25 25 ARG HD2 H 1 3.079 0.02 . 2 . . . A 25 ARG HD2 . 19312 1 240 . 1 1 25 25 ARG HD3 H 1 3.258 0.02 . 2 . . . A 25 ARG HD3 . 19312 1 241 . 1 1 25 25 ARG C C 13 175.388 0.4 . 1 . . . A 25 ARG C . 19312 1 242 . 1 1 25 25 ARG CA C 13 54.300 0.4 . 1 . . . A 25 ARG CA . 19312 1 243 . 1 1 25 25 ARG CB C 13 32.756 0.4 . 1 . . . A 25 ARG CB . 19312 1 244 . 1 1 25 25 ARG CG C 13 29.090 0.4 . 1 . . . A 25 ARG CG . 19312 1 245 . 1 1 25 25 ARG CD C 13 43.676 0.4 . 1 . . . A 25 ARG CD . 19312 1 246 . 1 1 25 25 ARG N N 15 124.317 0.4 . 1 . . . A 25 ARG N . 19312 1 247 . 1 1 26 26 ARG H H 1 8.329 0.02 . 1 . . . A 26 ARG H . 19312 1 248 . 1 1 26 26 ARG HA H 1 5.375 0.02 . 1 . . . A 26 ARG HA . 19312 1 249 . 1 1 26 26 ARG HB2 H 1 1.622 0.02 . 2 . . . A 26 ARG HB2 . 19312 1 250 . 1 1 26 26 ARG HB3 H 1 1.708 0.02 . 2 . . . A 26 ARG HB3 . 19312 1 251 . 1 1 26 26 ARG HG2 H 1 1.485 0.02 . 2 . . . A 26 ARG HG2 . 19312 1 252 . 1 1 26 26 ARG HG3 H 1 1.623 0.02 . 2 . . . A 26 ARG HG3 . 19312 1 253 . 1 1 26 26 ARG HD2 H 1 3.014 0.02 . 1 . . . A 26 ARG HD2 . 19312 1 254 . 1 1 26 26 ARG HD3 H 1 3.014 0.02 . 1 . . . A 26 ARG HD3 . 19312 1 255 . 1 1 26 26 ARG C C 13 176.947 0.4 . 1 . . . A 26 ARG C . 19312 1 256 . 1 1 26 26 ARG CA C 13 54.256 0.4 . 1 . . . A 26 ARG CA . 19312 1 257 . 1 1 26 26 ARG CB C 13 33.981 0.4 . 1 . . . A 26 ARG CB . 19312 1 258 . 1 1 26 26 ARG CG C 13 26.586 0.4 . 1 . . . A 26 ARG CG . 19312 1 259 . 1 1 26 26 ARG CD C 13 43.297 0.4 . 1 . . . A 26 ARG CD . 19312 1 260 . 1 1 26 26 ARG N N 15 119.065 0.4 . 1 . . . A 26 ARG N . 19312 1 261 . 1 1 27 27 ASN H H 1 8.852 0.02 . 1 . . . A 27 ASN H . 19312 1 262 . 1 1 27 27 ASN HA H 1 4.854 0.02 . 1 . . . A 27 ASN HA . 19312 1 263 . 1 1 27 27 ASN HB2 H 1 3.619 0.02 . 1 . . . A 27 ASN HB2 . 19312 1 264 . 1 1 27 27 ASN HB3 H 1 2.868 0.02 . 1 . . . A 27 ASN HB3 . 19312 1 265 . 1 1 27 27 ASN HD21 H 1 7.499 0.02 . 1 . . . A 27 ASN HD21 . 19312 1 266 . 1 1 27 27 ASN HD22 H 1 7.769 0.02 . 1 . . . A 27 ASN HD22 . 19312 1 267 . 1 1 27 27 ASN C C 13 177.469 0.4 . 1 . . . A 27 ASN C . 19312 1 268 . 1 1 27 27 ASN CA C 13 50.644 0.4 . 1 . . . A 27 ASN CA . 19312 1 269 . 1 1 27 27 ASN CB C 13 38.667 0.4 . 1 . . . A 27 ASN CB . 19312 1 270 . 1 1 27 27 ASN N N 15 121.087 0.4 . 1 . . . A 27 ASN N . 19312 1 271 . 1 1 27 27 ASN ND2 N 15 111.725 0.4 . 1 . . . A 27 ASN ND2 . 19312 1 272 . 1 1 28 28 ALA H H 1 8.565 0.02 . 1 . . . A 28 ALA H . 19312 1 273 . 1 1 28 28 ALA HA H 1 4.100 0.02 . 1 . . . A 28 ALA HA . 19312 1 274 . 1 1 28 28 ALA HB1 H 1 1.457 0.02 . 1 . . . A 28 ALA HB1 . 19312 1 275 . 1 1 28 28 ALA HB2 H 1 1.457 0.02 . 1 . . . A 28 ALA HB2 . 19312 1 276 . 1 1 28 28 ALA HB3 H 1 1.457 0.02 . 1 . . . A 28 ALA HB3 . 19312 1 277 . 1 1 28 28 ALA C C 13 178.729 0.4 . 1 . . . A 28 ALA C . 19312 1 278 . 1 1 28 28 ALA CA C 13 54.930 0.4 . 1 . . . A 28 ALA CA . 19312 1 279 . 1 1 28 28 ALA CB C 13 18.157 0.4 . 1 . . . A 28 ALA CB . 19312 1 280 . 1 1 28 28 ALA N N 15 121.634 0.4 . 1 . . . A 28 ALA N . 19312 1 281 . 1 1 29 29 GLU H H 1 7.670 0.02 . 1 . . . A 29 GLU H . 19312 1 282 . 1 1 29 29 GLU HA H 1 4.322 0.02 . 1 . . . A 29 GLU HA . 19312 1 283 . 1 1 29 29 GLU HB2 H 1 2.016 0.02 . 1 . . . A 29 GLU HB2 . 19312 1 284 . 1 1 29 29 GLU HB3 H 1 2.236 0.02 . 1 . . . A 29 GLU HB3 . 19312 1 285 . 1 1 29 29 GLU HG2 H 1 2.193 0.02 . 2 . . . A 29 GLU HG2 . 19312 1 286 . 1 1 29 29 GLU HG3 H 1 2.341 0.02 . 2 . . . A 29 GLU HG3 . 19312 1 287 . 1 1 29 29 GLU C C 13 176.463 0.4 . 1 . . . A 29 GLU C . 19312 1 288 . 1 1 29 29 GLU CA C 13 56.619 0.4 . 1 . . . A 29 GLU CA . 19312 1 289 . 1 1 29 29 GLU CB C 13 29.211 0.4 . 1 . . . A 29 GLU CB . 19312 1 290 . 1 1 29 29 GLU CG C 13 37.087 0.4 . 1 . . . A 29 GLU CG . 19312 1 291 . 1 1 29 29 GLU N N 15 115.497 0.4 . 1 . . . A 29 GLU N . 19312 1 292 . 1 1 30 30 GLY H H 1 8.186 0.02 . 1 . . . A 30 GLY H . 19312 1 293 . 1 1 30 30 GLY HA2 H 1 4.271 0.02 . 2 . . . A 30 GLY HA2 . 19312 1 294 . 1 1 30 30 GLY HA3 H 1 3.600 0.02 . 2 . . . A 30 GLY HA3 . 19312 1 295 . 1 1 30 30 GLY C C 13 174.292 0.4 . 1 . . . A 30 GLY C . 19312 1 296 . 1 1 30 30 GLY CA C 13 45.254 0.4 . 1 . . . A 30 GLY CA . 19312 1 297 . 1 1 30 30 GLY N N 15 107.426 0.4 . 1 . . . A 30 GLY N . 19312 1 298 . 1 1 31 31 GLU H H 1 8.250 0.02 . 1 . . . A 31 GLU H . 19312 1 299 . 1 1 31 31 GLU HA H 1 4.624 0.02 . 1 . . . A 31 GLU HA . 19312 1 300 . 1 1 31 31 GLU HB2 H 1 1.896 0.02 . 1 . . . A 31 GLU HB2 . 19312 1 301 . 1 1 31 31 GLU HB3 H 1 2.058 0.02 . 1 . . . A 31 GLU HB3 . 19312 1 302 . 1 1 31 31 GLU HG2 H 1 2.112 0.02 . 2 . . . A 31 GLU HG2 . 19312 1 303 . 1 1 31 31 GLU HG3 H 1 2.256 0.02 . 2 . . . A 31 GLU HG3 . 19312 1 304 . 1 1 31 31 GLU C C 13 174.006 0.4 . 1 . . . A 31 GLU C . 19312 1 305 . 1 1 31 31 GLU CA C 13 53.489 0.4 . 1 . . . A 31 GLU CA . 19312 1 306 . 1 1 31 31 GLU CB C 13 29.221 0.4 . 1 . . . A 31 GLU CB . 19312 1 307 . 1 1 31 31 GLU CG C 13 36.004 0.4 . 1 . . . A 31 GLU CG . 19312 1 308 . 1 1 31 31 GLU N N 15 122.429 0.4 . 1 . . . A 31 GLU N . 19312 1 309 . 1 1 32 32 PRO HA H 1 5.010 0.02 . 1 . . . A 32 PRO HA . 19312 1 310 . 1 1 32 32 PRO HB2 H 1 1.788 0.02 . 2 . . . A 32 PRO HB2 . 19312 1 311 . 1 1 32 32 PRO HB3 H 1 1.885 0.02 . 2 . . . A 32 PRO HB3 . 19312 1 312 . 1 1 32 32 PRO HG2 H 1 1.774 0.02 . 2 . . . A 32 PRO HG2 . 19312 1 313 . 1 1 32 32 PRO HG3 H 1 2.254 0.02 . 2 . . . A 32 PRO HG3 . 19312 1 314 . 1 1 32 32 PRO HD2 H 1 3.799 0.02 . 1 . . . A 32 PRO HD2 . 19312 1 315 . 1 1 32 32 PRO HD3 H 1 3.799 0.02 . 1 . . . A 32 PRO HD3 . 19312 1 316 . 1 1 32 32 PRO C C 13 176.167 0.4 . 1 . . . A 32 PRO C . 19312 1 317 . 1 1 32 32 PRO CA C 13 62.722 0.4 . 1 . . . A 32 PRO CA . 19312 1 318 . 1 1 32 32 PRO CB C 13 32.031 0.4 . 1 . . . A 32 PRO CB . 19312 1 319 . 1 1 32 32 PRO CG C 13 27.571 0.4 . 1 . . . A 32 PRO CG . 19312 1 320 . 1 1 32 32 PRO CD C 13 50.240 0.4 . 1 . . . A 32 PRO CD . 19312 1 321 . 1 1 33 33 VAL H H 1 8.513 0.02 . 1 . . . A 33 VAL H . 19312 1 322 . 1 1 33 33 VAL HA H 1 5.741 0.02 . 1 . . . A 33 VAL HA . 19312 1 323 . 1 1 33 33 VAL HB H 1 2.236 0.02 . 1 . . . A 33 VAL HB . 19312 1 324 . 1 1 33 33 VAL HG11 H 1 1.157 0.02 . 1 . . . A 33 VAL HG11 . 19312 1 325 . 1 1 33 33 VAL HG12 H 1 1.157 0.02 . 1 . . . A 33 VAL HG12 . 19312 1 326 . 1 1 33 33 VAL HG13 H 1 1.157 0.02 . 1 . . . A 33 VAL HG13 . 19312 1 327 . 1 1 33 33 VAL HG21 H 1 0.751 0.02 . 1 . . . A 33 VAL HG21 . 19312 1 328 . 1 1 33 33 VAL HG22 H 1 0.751 0.02 . 1 . . . A 33 VAL HG22 . 19312 1 329 . 1 1 33 33 VAL HG23 H 1 0.751 0.02 . 1 . . . A 33 VAL HG23 . 19312 1 330 . 1 1 33 33 VAL C C 13 174.756 0.4 . 1 . . . A 33 VAL C . 19312 1 331 . 1 1 33 33 VAL CA C 13 58.759 0.4 . 1 . . . A 33 VAL CA . 19312 1 332 . 1 1 33 33 VAL CB C 13 36.799 0.4 . 1 . . . A 33 VAL CB . 19312 1 333 . 1 1 33 33 VAL CG1 C 13 23.113 0.4 . 1 . . . A 33 VAL CG1 . 19312 1 334 . 1 1 33 33 VAL CG2 C 13 19.164 0.4 . 1 . . . A 33 VAL CG2 . 19312 1 335 . 1 1 33 33 VAL N N 15 114.800 0.4 . 1 . . . A 33 VAL N . 19312 1 336 . 1 1 34 34 CYS H H 1 9.818 0.02 . 1 . . . A 34 CYS H . 19312 1 337 . 1 1 34 34 CYS HA H 1 4.225 0.02 . 1 . . . A 34 CYS HA . 19312 1 338 . 1 1 34 34 CYS HB2 H 1 2.464 0.02 . 2 . . . A 34 CYS HB2 . 19312 1 339 . 1 1 34 34 CYS HB3 H 1 2.990 0.02 . 2 . . . A 34 CYS HB3 . 19312 1 340 . 1 1 34 34 CYS C C 13 174.890 0.4 . 1 . . . A 34 CYS C . 19312 1 341 . 1 1 34 34 CYS CA C 13 57.946 0.4 . 1 . . . A 34 CYS CA . 19312 1 342 . 1 1 34 34 CYS CB C 13 31.054 0.4 . 1 . . . A 34 CYS CB . 19312 1 343 . 1 1 34 34 CYS N N 15 121.864 0.4 . 1 . . . A 34 CYS N . 19312 1 344 . 1 1 35 35 ASN H H 1 7.848 0.02 . 1 . . . A 35 ASN H . 19312 1 345 . 1 1 35 35 ASN HA H 1 4.084 0.02 . 1 . . . A 35 ASN HA . 19312 1 346 . 1 1 35 35 ASN HB2 H 1 2.710 0.02 . 2 . . . A 35 ASN HB2 . 19312 1 347 . 1 1 35 35 ASN HB3 H 1 3.234 0.02 . 2 . . . A 35 ASN HB3 . 19312 1 348 . 1 1 35 35 ASN HD21 H 1 7.531 0.02 . 2 . . . A 35 ASN HD21 . 19312 1 349 . 1 1 35 35 ASN HD22 H 1 6.925 0.02 . 2 . . . A 35 ASN HD22 . 19312 1 350 . 1 1 35 35 ASN C C 13 176.491 0.4 . 1 . . . A 35 ASN C . 19312 1 351 . 1 1 35 35 ASN CA C 13 57.609 0.4 . 1 . . . A 35 ASN CA . 19312 1 352 . 1 1 35 35 ASN CB C 13 39.471 0.4 . 1 . . . A 35 ASN CB . 19312 1 353 . 1 1 35 35 ASN N N 15 118.528 0.4 . 1 . . . A 35 ASN N . 19312 1 354 . 1 1 35 35 ASN ND2 N 15 114.250 0.4 . 1 . . . A 35 ASN ND2 . 19312 1 355 . 1 1 36 36 ALA H H 1 8.173 0.02 . 1 . . . A 36 ALA H . 19312 1 356 . 1 1 36 36 ALA HA H 1 4.138 0.02 . 1 . . . A 36 ALA HA . 19312 1 357 . 1 1 36 36 ALA HB1 H 1 1.514 0.02 . 1 . . . A 36 ALA HB1 . 19312 1 358 . 1 1 36 36 ALA HB2 H 1 1.514 0.02 . 1 . . . A 36 ALA HB2 . 19312 1 359 . 1 1 36 36 ALA HB3 H 1 1.514 0.02 . 1 . . . A 36 ALA HB3 . 19312 1 360 . 1 1 36 36 ALA C C 13 181.983 0.4 . 1 . . . A 36 ALA C . 19312 1 361 . 1 1 36 36 ALA CA C 13 55.564 0.4 . 1 . . . A 36 ALA CA . 19312 1 362 . 1 1 36 36 ALA CB C 13 18.382 0.4 . 1 . . . A 36 ALA CB . 19312 1 363 . 1 1 36 36 ALA N N 15 119.132 0.4 . 1 . . . A 36 ALA N . 19312 1 364 . 1 1 37 37 CYS H H 1 9.277 0.02 . 1 . . . A 37 CYS H . 19312 1 365 . 1 1 37 37 CYS HA H 1 4.014 0.02 . 1 . . . A 37 CYS HA . 19312 1 366 . 1 1 37 37 CYS HB2 H 1 3.146 0.02 . 1 . . . A 37 CYS HB2 . 19312 1 367 . 1 1 37 37 CYS HB3 H 1 3.300 0.02 . 1 . . . A 37 CYS HB3 . 19312 1 368 . 1 1 37 37 CYS C C 13 179.567 0.4 . 1 . . . A 37 CYS C . 19312 1 369 . 1 1 37 37 CYS CA C 13 65.467 0.4 . 1 . . . A 37 CYS CA . 19312 1 370 . 1 1 37 37 CYS CB C 13 28.909 0.4 . 1 . . . A 37 CYS CB . 19312 1 371 . 1 1 37 37 CYS N N 15 122.296 0.4 . 1 . . . A 37 CYS N . 19312 1 372 . 1 1 38 38 GLY H H 1 9.307 0.02 . 1 . . . A 38 GLY H . 19312 1 373 . 1 1 38 38 GLY HA2 H 1 3.920 0.02 . 2 . . . A 38 GLY HA2 . 19312 1 374 . 1 1 38 38 GLY HA3 H 1 3.528 0.02 . 2 . . . A 38 GLY HA3 . 19312 1 375 . 1 1 38 38 GLY C C 13 176.325 0.4 . 1 . . . A 38 GLY C . 19312 1 376 . 1 1 38 38 GLY CA C 13 47.455 0.4 . 1 . . . A 38 GLY CA . 19312 1 377 . 1 1 38 38 GLY N N 15 109.645 0.4 . 1 . . . A 38 GLY N . 19312 1 378 . 1 1 39 39 LEU H H 1 8.744 0.02 . 1 . . . A 39 LEU H . 19312 1 379 . 1 1 39 39 LEU HA H 1 4.064 0.02 . 1 . . . A 39 LEU HA . 19312 1 380 . 1 1 39 39 LEU HB2 H 1 1.773 0.02 . 1 . . . A 39 LEU HB2 . 19312 1 381 . 1 1 39 39 LEU HB3 H 1 1.517 0.02 . 1 . . . A 39 LEU HB3 . 19312 1 382 . 1 1 39 39 LEU HG H 1 1.662 0.02 . 1 . . . A 39 LEU HG . 19312 1 383 . 1 1 39 39 LEU HD11 H 1 0.850 0.02 . 1 . . . A 39 LEU HD11 . 19312 1 384 . 1 1 39 39 LEU HD12 H 1 0.850 0.02 . 1 . . . A 39 LEU HD12 . 19312 1 385 . 1 1 39 39 LEU HD13 H 1 0.850 0.02 . 1 . . . A 39 LEU HD13 . 19312 1 386 . 1 1 39 39 LEU HD21 H 1 0.838 0.02 . 1 . . . A 39 LEU HD21 . 19312 1 387 . 1 1 39 39 LEU HD22 H 1 0.838 0.02 . 1 . . . A 39 LEU HD22 . 19312 1 388 . 1 1 39 39 LEU HD23 H 1 0.838 0.02 . 1 . . . A 39 LEU HD23 . 19312 1 389 . 1 1 39 39 LEU C C 13 178.462 0.4 . 1 . . . A 39 LEU C . 19312 1 390 . 1 1 39 39 LEU CA C 13 57.752 0.4 . 1 . . . A 39 LEU CA . 19312 1 391 . 1 1 39 39 LEU CB C 13 41.782 0.4 . 1 . . . A 39 LEU CB . 19312 1 392 . 1 1 39 39 LEU CG C 13 26.829 0.4 . 1 . . . A 39 LEU CG . 19312 1 393 . 1 1 39 39 LEU CD1 C 13 24.821 0.4 . 1 . . . A 39 LEU CD1 . 19312 1 394 . 1 1 39 39 LEU CD2 C 13 23.072 0.4 . 1 . . . A 39 LEU CD2 . 19312 1 395 . 1 1 39 39 LEU N N 15 123.534 0.4 . 1 . . . A 39 LEU N . 19312 1 396 . 1 1 40 40 TYR H H 1 7.838 0.02 . 1 . . . A 40 TYR H . 19312 1 397 . 1 1 40 40 TYR HA H 1 4.079 0.02 . 1 . . . A 40 TYR HA . 19312 1 398 . 1 1 40 40 TYR HB2 H 1 3.208 0.02 . 1 . . . A 40 TYR HB2 . 19312 1 399 . 1 1 40 40 TYR HB3 H 1 3.208 0.02 . 1 . . . A 40 TYR HB3 . 19312 1 400 . 1 1 40 40 TYR HD1 H 1 7.327 0.02 . 1 . . . A 40 TYR HD1 . 19312 1 401 . 1 1 40 40 TYR HD2 H 1 7.327 0.02 . 1 . . . A 40 TYR HD2 . 19312 1 402 . 1 1 40 40 TYR HE1 H 1 6.603 0.02 . 1 . . . A 40 TYR HE1 . 19312 1 403 . 1 1 40 40 TYR HE2 H 1 6.603 0.02 . 1 . . . A 40 TYR HE2 . 19312 1 404 . 1 1 40 40 TYR C C 13 178.192 0.4 . 1 . . . A 40 TYR C . 19312 1 405 . 1 1 40 40 TYR CA C 13 62.219 0.4 . 1 . . . A 40 TYR CA . 19312 1 406 . 1 1 40 40 TYR CB C 13 39.741 0.4 . 1 . . . A 40 TYR CB . 19312 1 407 . 1 1 40 40 TYR CD1 C 13 133.838 0.4 . 1 . . . A 40 TYR CD1 . 19312 1 408 . 1 1 40 40 TYR CD2 C 13 133.838 0.4 . 1 . . . A 40 TYR CD2 . 19312 1 409 . 1 1 40 40 TYR CE1 C 13 118.521 0.4 . 1 . . . A 40 TYR CE1 . 19312 1 410 . 1 1 40 40 TYR CE2 C 13 118.521 0.4 . 1 . . . A 40 TYR CE2 . 19312 1 411 . 1 1 40 40 TYR N N 15 119.827 0.4 . 1 . . . A 40 TYR N . 19312 1 412 . 1 1 41 41 MET H H 1 7.848 0.02 . 1 . . . A 41 MET H . 19312 1 413 . 1 1 41 41 MET HA H 1 4.532 0.02 . 1 . . . A 41 MET HA . 19312 1 414 . 1 1 41 41 MET HB2 H 1 2.242 0.02 . 2 . . . A 41 MET HB2 . 19312 1 415 . 1 1 41 41 MET HB3 H 1 2.219 0.02 . 2 . . . A 41 MET HB3 . 19312 1 416 . 1 1 41 41 MET HG2 H 1 2.434 0.02 . 2 . . . A 41 MET HG2 . 19312 1 417 . 1 1 41 41 MET HG3 H 1 2.803 0.02 . 2 . . . A 41 MET HG3 . 19312 1 418 . 1 1 41 41 MET HE1 H 1 2.044 0.02 . 1 . . . A 41 MET HE1 . 19312 1 419 . 1 1 41 41 MET HE2 H 1 2.044 0.02 . 1 . . . A 41 MET HE2 . 19312 1 420 . 1 1 41 41 MET HE3 H 1 2.044 0.02 . 1 . . . A 41 MET HE3 . 19312 1 421 . 1 1 41 41 MET C C 13 179.203 0.4 . 1 . . . A 41 MET C . 19312 1 422 . 1 1 41 41 MET CA C 13 57.683 0.4 . 1 . . . A 41 MET CA . 19312 1 423 . 1 1 41 41 MET CB C 13 31.780 0.4 . 1 . . . A 41 MET CB . 19312 1 424 . 1 1 41 41 MET CG C 13 32.230 0.4 . 1 . . . A 41 MET CG . 19312 1 425 . 1 1 41 41 MET CE C 13 17.383 0.4 . 1 . . . A 41 MET CE . 19312 1 426 . 1 1 41 41 MET N N 15 117.089 0.4 . 1 . . . A 41 MET N . 19312 1 427 . 1 1 42 42 LYS H H 1 7.795 0.02 . 1 . . . A 42 LYS H . 19312 1 428 . 1 1 42 42 LYS HA H 1 4.021 0.02 . 1 . . . A 42 LYS HA . 19312 1 429 . 1 1 42 42 LYS HB2 H 1 1.953 0.02 . 2 . . . A 42 LYS HB2 . 19312 1 430 . 1 1 42 42 LYS HB3 H 1 1.932 0.02 . 2 . . . A 42 LYS HB3 . 19312 1 431 . 1 1 42 42 LYS HG2 H 1 1.408 0.02 . 2 . . . A 42 LYS HG2 . 19312 1 432 . 1 1 42 42 LYS HG3 H 1 1.503 0.02 . 2 . . . A 42 LYS HG3 . 19312 1 433 . 1 1 42 42 LYS HD2 H 1 1.680 0.02 . 2 . . . A 42 LYS HD2 . 19312 1 434 . 1 1 42 42 LYS HD3 H 1 1.628 0.02 . 2 . . . A 42 LYS HD3 . 19312 1 435 . 1 1 42 42 LYS HE2 H 1 2.981 0.02 . 1 . . . A 42 LYS HE2 . 19312 1 436 . 1 1 42 42 LYS HE3 H 1 2.981 0.02 . 1 . . . A 42 LYS HE3 . 19312 1 437 . 1 1 42 42 LYS C C 13 177.902 0.4 . 1 . . . A 42 LYS C . 19312 1 438 . 1 1 42 42 LYS CA C 13 58.892 0.4 . 1 . . . A 42 LYS CA . 19312 1 439 . 1 1 42 42 LYS CB C 13 32.333 0.4 . 1 . . . A 42 LYS CB . 19312 1 440 . 1 1 42 42 LYS CG C 13 24.607 0.4 . 1 . . . A 42 LYS CG . 19312 1 441 . 1 1 42 42 LYS CD C 13 29.022 0.4 . 1 . . . A 42 LYS CD . 19312 1 442 . 1 1 42 42 LYS CE C 13 41.879 0.4 . 1 . . . A 42 LYS CE . 19312 1 443 . 1 1 42 42 LYS N N 15 120.513 0.4 . 1 . . . A 42 LYS N . 19312 1 444 . 1 1 43 43 LEU H H 1 7.780 0.02 . 1 . . . A 43 LEU H . 19312 1 445 . 1 1 43 43 LEU HA H 1 4.030 0.02 . 1 . . . A 43 LEU HA . 19312 1 446 . 1 1 43 43 LEU HB2 H 1 1.300 0.02 . 1 . . . A 43 LEU HB2 . 19312 1 447 . 1 1 43 43 LEU HB3 H 1 0.901 0.02 . 1 . . . A 43 LEU HB3 . 19312 1 448 . 1 1 43 43 LEU HG H 1 1.165 0.02 . 1 . . . A 43 LEU HG . 19312 1 449 . 1 1 43 43 LEU HD11 H 1 0.725 0.02 . 1 . . . A 43 LEU HD11 . 19312 1 450 . 1 1 43 43 LEU HD12 H 1 0.725 0.02 . 1 . . . A 43 LEU HD12 . 19312 1 451 . 1 1 43 43 LEU HD13 H 1 0.725 0.02 . 1 . . . A 43 LEU HD13 . 19312 1 452 . 1 1 43 43 LEU HD21 H 1 0.652 0.02 . 1 . . . A 43 LEU HD21 . 19312 1 453 . 1 1 43 43 LEU HD22 H 1 0.652 0.02 . 1 . . . A 43 LEU HD22 . 19312 1 454 . 1 1 43 43 LEU HD23 H 1 0.652 0.02 . 1 . . . A 43 LEU HD23 . 19312 1 455 . 1 1 43 43 LEU C C 13 178.555 0.4 . 1 . . . A 43 LEU C . 19312 1 456 . 1 1 43 43 LEU CA C 13 56.779 0.4 . 1 . . . A 43 LEU CA . 19312 1 457 . 1 1 43 43 LEU CB C 13 42.406 0.4 . 1 . . . A 43 LEU CB . 19312 1 458 . 1 1 43 43 LEU CG C 13 26.544 0.4 . 1 . . . A 43 LEU CG . 19312 1 459 . 1 1 43 43 LEU CD1 C 13 23.980 0.4 . 1 . . . A 43 LEU CD1 . 19312 1 460 . 1 1 43 43 LEU CD2 C 13 23.391 0.4 . 1 . . . A 43 LEU CD2 . 19312 1 461 . 1 1 43 43 LEU N N 15 117.559 0.4 . 1 . . . A 43 LEU N . 19312 1 462 . 1 1 44 44 HIS H H 1 8.367 0.02 . 1 . . . A 44 HIS H . 19312 1 463 . 1 1 44 44 HIS HA H 1 4.653 0.02 . 1 . . . A 44 HIS HA . 19312 1 464 . 1 1 44 44 HIS HB2 H 1 2.694 0.02 . 1 . . . A 44 HIS HB2 . 19312 1 465 . 1 1 44 44 HIS HB3 H 1 3.067 0.02 . 1 . . . A 44 HIS HB3 . 19312 1 466 . 1 1 44 44 HIS HD2 H 1 5.524 0.02 . 1 . . . A 44 HIS HD2 . 19312 1 467 . 1 1 44 44 HIS HE1 H 1 7.629 0.02 . 1 . . . A 44 HIS HE1 . 19312 1 468 . 1 1 44 44 HIS C C 13 176.699 0.4 . 1 . . . A 44 HIS C . 19312 1 469 . 1 1 44 44 HIS CA C 13 56.739 0.4 . 1 . . . A 44 HIS CA . 19312 1 470 . 1 1 44 44 HIS CB C 13 31.966 0.4 . 1 . . . A 44 HIS CB . 19312 1 471 . 1 1 44 44 HIS CD2 C 13 120.819 0.4 . 1 . . . A 44 HIS CD2 . 19312 1 472 . 1 1 44 44 HIS CE1 C 13 137.907 0.4 . 1 . . . A 44 HIS CE1 . 19312 1 473 . 1 1 44 44 HIS N N 15 113.809 0.4 . 1 . . . A 44 HIS N . 19312 1 474 . 1 1 45 45 GLY H H 1 8.534 0.02 . 1 . . . A 45 GLY H . 19312 1 475 . 1 1 45 45 GLY HA2 H 1 3.930 0.02 . 2 . . . A 45 GLY HA2 . 19312 1 476 . 1 1 45 45 GLY HA3 H 1 4.151 0.02 . 2 . . . A 45 GLY HA3 . 19312 1 477 . 1 1 45 45 GLY C C 13 172.853 0.4 . 1 . . . A 45 GLY C . 19312 1 478 . 1 1 45 45 GLY CA C 13 46.083 0.4 . 1 . . . A 45 GLY CA . 19312 1 479 . 1 1 45 45 GLY N N 15 108.589 0.4 . 1 . . . A 45 GLY N . 19312 1 480 . 1 1 46 46 VAL H H 1 7.365 0.02 . 1 . . . A 46 VAL H . 19312 1 481 . 1 1 46 46 VAL HA H 1 4.762 0.02 . 1 . . . A 46 VAL HA . 19312 1 482 . 1 1 46 46 VAL HB H 1 2.323 0.02 . 1 . . . A 46 VAL HB . 19312 1 483 . 1 1 46 46 VAL HG11 H 1 1.027 0.02 . 1 . . . A 46 VAL HG11 . 19312 1 484 . 1 1 46 46 VAL HG12 H 1 1.027 0.02 . 1 . . . A 46 VAL HG12 . 19312 1 485 . 1 1 46 46 VAL HG13 H 1 1.027 0.02 . 1 . . . A 46 VAL HG13 . 19312 1 486 . 1 1 46 46 VAL HG21 H 1 0.911 0.02 . 1 . . . A 46 VAL HG21 . 19312 1 487 . 1 1 46 46 VAL HG22 H 1 0.911 0.02 . 1 . . . A 46 VAL HG22 . 19312 1 488 . 1 1 46 46 VAL HG23 H 1 0.911 0.02 . 1 . . . A 46 VAL HG23 . 19312 1 489 . 1 1 46 46 VAL C C 13 171.867 0.4 . 1 . . . A 46 VAL C . 19312 1 490 . 1 1 46 46 VAL CA C 13 57.556 0.4 . 1 . . . A 46 VAL CA . 19312 1 491 . 1 1 46 46 VAL CB C 13 33.456 0.4 . 1 . . . A 46 VAL CB . 19312 1 492 . 1 1 46 46 VAL CG1 C 13 22.080 0.4 . 1 . . . A 46 VAL CG1 . 19312 1 493 . 1 1 46 46 VAL CG2 C 13 18.604 0.4 . 1 . . . A 46 VAL CG2 . 19312 1 494 . 1 1 46 46 VAL N N 15 112.990 0.4 . 1 . . . A 46 VAL N . 19312 1 495 . 1 1 47 47 PRO HA H 1 4.615 0.02 . 1 . . . A 47 PRO HA . 19312 1 496 . 1 1 47 47 PRO HB2 H 1 2.187 0.02 . 2 . . . A 47 PRO HB2 . 19312 1 497 . 1 1 47 47 PRO HB3 H 1 1.741 0.02 . 2 . . . A 47 PRO HB3 . 19312 1 498 . 1 1 47 47 PRO HG2 H 1 1.922 0.02 . 2 . . . A 47 PRO HG2 . 19312 1 499 . 1 1 47 47 PRO HG3 H 1 2.012 0.02 . 2 . . . A 47 PRO HG3 . 19312 1 500 . 1 1 47 47 PRO HD2 H 1 3.639 0.02 . 1 . . . A 47 PRO HD2 . 19312 1 501 . 1 1 47 47 PRO HD3 H 1 3.756 0.02 . 1 . . . A 47 PRO HD3 . 19312 1 502 . 1 1 47 47 PRO C C 13 176.310 0.4 . 1 . . . A 47 PRO C . 19312 1 503 . 1 1 47 47 PRO CA C 13 61.715 0.4 . 1 . . . A 47 PRO CA . 19312 1 504 . 1 1 47 47 PRO CB C 13 32.124 0.4 . 1 . . . A 47 PRO CB . 19312 1 505 . 1 1 47 47 PRO CG C 13 27.596 0.4 . 1 . . . A 47 PRO CG . 19312 1 506 . 1 1 47 47 PRO CD C 13 50.352 0.4 . 1 . . . A 47 PRO CD . 19312 1 507 . 1 1 48 48 ARG H H 1 8.759 0.02 . 1 . . . A 48 ARG H . 19312 1 508 . 1 1 48 48 ARG HA H 1 3.134 0.02 . 1 . . . A 48 ARG HA . 19312 1 509 . 1 1 48 48 ARG HB2 H 1 1.147 0.02 . 1 . . . A 48 ARG HB2 . 19312 1 510 . 1 1 48 48 ARG HB3 H 1 1.687 0.02 . 1 . . . A 48 ARG HB3 . 19312 1 511 . 1 1 48 48 ARG HG2 H 1 0.788 0.02 . 2 . . . A 48 ARG HG2 . 19312 1 512 . 1 1 48 48 ARG HG3 H 1 1.247 0.02 . 2 . . . A 48 ARG HG3 . 19312 1 513 . 1 1 48 48 ARG HD2 H 1 2.881 0.02 . 2 . . . A 48 ARG HD2 . 19312 1 514 . 1 1 48 48 ARG HD3 H 1 3.262 0.02 . 2 . . . A 48 ARG HD3 . 19312 1 515 . 1 1 48 48 ARG C C 13 174.677 0.4 . 1 . . . A 48 ARG C . 19312 1 516 . 1 1 48 48 ARG CA C 13 54.500 0.4 . 1 . . . A 48 ARG CA . 19312 1 517 . 1 1 48 48 ARG CB C 13 32.836 0.4 . 1 . . . A 48 ARG CB . 19312 1 518 . 1 1 48 48 ARG CG C 13 27.210 0.4 . 1 . . . A 48 ARG CG . 19312 1 519 . 1 1 48 48 ARG CD C 13 43.910 0.4 . 1 . . . A 48 ARG CD . 19312 1 520 . 1 1 48 48 ARG N N 15 123.227 0.4 . 1 . . . A 48 ARG N . 19312 1 521 . 1 1 49 49 PRO HA H 1 4.311 0.02 . 1 . . . A 49 PRO HA . 19312 1 522 . 1 1 49 49 PRO HB2 H 1 2.187 0.02 . 2 . . . A 49 PRO HB2 . 19312 1 523 . 1 1 49 49 PRO HB3 H 1 1.776 0.02 . 2 . . . A 49 PRO HB3 . 19312 1 524 . 1 1 49 49 PRO HG2 H 1 1.884 0.02 . 1 . . . A 49 PRO HG2 . 19312 1 525 . 1 1 49 49 PRO HG3 H 1 1.884 0.02 . 1 . . . A 49 PRO HG3 . 19312 1 526 . 1 1 49 49 PRO HD2 H 1 2.905 0.02 . 2 . . . A 49 PRO HD2 . 19312 1 527 . 1 1 49 49 PRO HD3 H 1 3.643 0.02 . 2 . . . A 49 PRO HD3 . 19312 1 528 . 1 1 49 49 PRO C C 13 176.503 0.4 . 1 . . . A 49 PRO C . 19312 1 529 . 1 1 49 49 PRO CA C 13 62.433 0.4 . 1 . . . A 49 PRO CA . 19312 1 530 . 1 1 49 49 PRO CB C 13 32.063 0.4 . 1 . . . A 49 PRO CB . 19312 1 531 . 1 1 49 49 PRO CG C 13 27.150 0.4 . 1 . . . A 49 PRO CG . 19312 1 532 . 1 1 49 49 PRO CD C 13 51.761 0.4 . 1 . . . A 49 PRO CD . 19312 1 533 . 1 1 50 50 LEU H H 1 8.282 0.02 . 1 . . . A 50 LEU H . 19312 1 534 . 1 1 50 50 LEU HA H 1 4.279 0.02 . 1 . . . A 50 LEU HA . 19312 1 535 . 1 1 50 50 LEU HB2 H 1 1.592 0.02 . 1 . . . A 50 LEU HB2 . 19312 1 536 . 1 1 50 50 LEU HB3 H 1 1.512 0.02 . 1 . . . A 50 LEU HB3 . 19312 1 537 . 1 1 50 50 LEU HG H 1 1.675 0.02 . 1 . . . A 50 LEU HG . 19312 1 538 . 1 1 50 50 LEU HD11 H 1 0.870 0.02 . 1 . . . A 50 LEU HD11 . 19312 1 539 . 1 1 50 50 LEU HD12 H 1 0.870 0.02 . 1 . . . A 50 LEU HD12 . 19312 1 540 . 1 1 50 50 LEU HD13 H 1 0.870 0.02 . 1 . . . A 50 LEU HD13 . 19312 1 541 . 1 1 50 50 LEU HD21 H 1 0.724 0.02 . 1 . . . A 50 LEU HD21 . 19312 1 542 . 1 1 50 50 LEU HD22 H 1 0.724 0.02 . 1 . . . A 50 LEU HD22 . 19312 1 543 . 1 1 50 50 LEU HD23 H 1 0.724 0.02 . 1 . . . A 50 LEU HD23 . 19312 1 544 . 1 1 50 50 LEU C C 13 177.387 0.4 . 1 . . . A 50 LEU C . 19312 1 545 . 1 1 50 50 LEU CA C 13 54.535 0.4 . 1 . . . A 50 LEU CA . 19312 1 546 . 1 1 50 50 LEU CB C 13 42.345 0.4 . 1 . . . A 50 LEU CB . 19312 1 547 . 1 1 50 50 LEU CG C 13 26.725 0.4 . 1 . . . A 50 LEU CG . 19312 1 548 . 1 1 50 50 LEU CD1 C 13 25.195 0.4 . 1 . . . A 50 LEU CD1 . 19312 1 549 . 1 1 50 50 LEU CD2 C 13 23.014 0.4 . 1 . . . A 50 LEU CD2 . 19312 1 550 . 1 1 50 50 LEU N N 15 122.599 0.4 . 1 . . . A 50 LEU N . 19312 1 551 . 1 1 51 51 ALA H H 1 8.202 0.02 . 1 . . . A 51 ALA H . 19312 1 552 . 1 1 51 51 ALA HA H 1 4.246 0.02 . 1 . . . A 51 ALA HA . 19312 1 553 . 1 1 51 51 ALA HB1 H 1 1.345 0.02 . 1 . . . A 51 ALA HB1 . 19312 1 554 . 1 1 51 51 ALA HB2 H 1 1.345 0.02 . 1 . . . A 51 ALA HB2 . 19312 1 555 . 1 1 51 51 ALA HB3 H 1 1.345 0.02 . 1 . . . A 51 ALA HB3 . 19312 1 556 . 1 1 51 51 ALA C C 13 177.611 0.4 . 1 . . . A 51 ALA C . 19312 1 557 . 1 1 51 51 ALA CA C 13 52.471 0.4 . 1 . . . A 51 ALA CA . 19312 1 558 . 1 1 51 51 ALA CB C 13 18.978 0.4 . 1 . . . A 51 ALA CB . 19312 1 559 . 1 1 51 51 ALA N N 15 123.340 0.4 . 1 . . . A 51 ALA N . 19312 1 560 . 1 1 52 52 MET H H 1 8.161 0.02 . 1 . . . A 52 MET H . 19312 1 561 . 1 1 52 52 MET HA H 1 4.414 0.02 . 1 . . . A 52 MET HA . 19312 1 562 . 1 1 52 52 MET HB2 H 1 1.954 0.02 . 2 . . . A 52 MET HB2 . 19312 1 563 . 1 1 52 52 MET HB3 H 1 2.048 0.02 . 2 . . . A 52 MET HB3 . 19312 1 564 . 1 1 52 52 MET HE1 H 1 2.094 0.02 . 1 . . . A 52 MET HE1 . 19312 1 565 . 1 1 52 52 MET HE2 H 1 2.094 0.02 . 1 . . . A 52 MET HE2 . 19312 1 566 . 1 1 52 52 MET HE3 H 1 2.094 0.02 . 1 . . . A 52 MET HE3 . 19312 1 567 . 1 1 52 52 MET C C 13 175.998 0.4 . 1 . . . A 52 MET C . 19312 1 568 . 1 1 52 52 MET CA C 13 55.392 0.4 . 1 . . . A 52 MET CA . 19312 1 569 . 1 1 52 52 MET CB C 13 32.700 0.4 . 1 . . . A 52 MET CB . 19312 1 570 . 1 1 52 52 MET CE C 13 17.079 0.4 . 1 . . . A 52 MET CE . 19312 1 571 . 1 1 52 52 MET N N 15 118.463 0.4 . 1 . . . A 52 MET N . 19312 1 572 . 1 1 53 53 ARG H H 1 8.234 0.02 . 1 . . . A 53 ARG H . 19312 1 573 . 1 1 53 53 ARG HA H 1 4.331 0.02 . 1 . . . A 53 ARG HA . 19312 1 574 . 1 1 53 53 ARG HB2 H 1 1.764 0.02 . 1 . . . A 53 ARG HB2 . 19312 1 575 . 1 1 53 53 ARG HB3 H 1 1.764 0.02 . 1 . . . A 53 ARG HB3 . 19312 1 576 . 1 1 53 53 ARG C C 13 176.025 0.4 . 1 . . . A 53 ARG C . 19312 1 577 . 1 1 53 53 ARG CA C 13 56.000 0.4 . 1 . . . A 53 ARG CA . 19312 1 578 . 1 1 53 53 ARG CB C 13 30.547 0.4 . 1 . . . A 53 ARG CB . 19312 1 579 . 1 1 53 53 ARG N N 15 122.298 0.4 . 1 . . . A 53 ARG N . 19312 1 580 . 1 1 54 54 LYS H H 1 8.377 0.02 . 1 . . . A 54 LYS H . 19312 1 581 . 1 1 54 54 LYS HA H 1 4.294 0.02 . 1 . . . A 54 LYS HA . 19312 1 582 . 1 1 54 54 LYS HB2 H 1 1.750 0.02 . 2 . . . A 54 LYS HB2 . 19312 1 583 . 1 1 54 54 LYS HB3 H 1 1.823 0.02 . 2 . . . A 54 LYS HB3 . 19312 1 584 . 1 1 54 54 LYS HG2 H 1 1.418 0.02 . 2 . . . A 54 LYS HG2 . 19312 1 585 . 1 1 54 54 LYS HG3 H 1 1.448 0.02 . 2 . . . A 54 LYS HG3 . 19312 1 586 . 1 1 54 54 LYS HD2 H 1 1.680 0.02 . 1 . . . A 54 LYS HD2 . 19312 1 587 . 1 1 54 54 LYS HD3 H 1 1.680 0.02 . 1 . . . A 54 LYS HD3 . 19312 1 588 . 1 1 54 54 LYS HE2 H 1 2.997 0.02 . 1 . . . A 54 LYS HE2 . 19312 1 589 . 1 1 54 54 LYS HE3 H 1 2.997 0.02 . 1 . . . A 54 LYS HE3 . 19312 1 590 . 1 1 54 54 LYS C C 13 176.467 0.4 . 1 . . . A 54 LYS C . 19312 1 591 . 1 1 54 54 LYS CA C 13 56.354 0.4 . 1 . . . A 54 LYS CA . 19312 1 592 . 1 1 54 54 LYS CB C 13 32.904 0.4 . 1 . . . A 54 LYS CB . 19312 1 593 . 1 1 54 54 LYS CG C 13 24.580 0.4 . 1 . . . A 54 LYS CG . 19312 1 594 . 1 1 54 54 LYS CD C 13 29.082 0.4 . 1 . . . A 54 LYS CD . 19312 1 595 . 1 1 54 54 LYS CE C 13 42.025 0.4 . 1 . . . A 54 LYS CE . 19312 1 596 . 1 1 54 54 LYS N N 15 123.180 0.4 . 1 . . . A 54 LYS N . 19312 1 597 . 1 1 55 55 GLU H H 1 8.509 0.02 . 1 . . . A 55 GLU H . 19312 1 598 . 1 1 55 55 GLU HA H 1 4.302 0.02 . 1 . . . A 55 GLU HA . 19312 1 599 . 1 1 55 55 GLU HB2 H 1 1.947 0.02 . 2 . . . A 55 GLU HB2 . 19312 1 600 . 1 1 55 55 GLU HB3 H 1 2.056 0.02 . 2 . . . A 55 GLU HB3 . 19312 1 601 . 1 1 55 55 GLU HG2 H 1 2.273 0.02 . 1 . . . A 55 GLU HG2 . 19312 1 602 . 1 1 55 55 GLU HG3 H 1 2.273 0.02 . 1 . . . A 55 GLU HG3 . 19312 1 603 . 1 1 55 55 GLU C C 13 176.868 0.4 . 1 . . . A 55 GLU C . 19312 1 604 . 1 1 55 55 GLU CA C 13 56.580 0.4 . 1 . . . A 55 GLU CA . 19312 1 605 . 1 1 55 55 GLU CB C 13 30.242 0.4 . 1 . . . A 55 GLU CB . 19312 1 606 . 1 1 55 55 GLU CG C 13 36.099 0.4 . 1 . . . A 55 GLU CG . 19312 1 607 . 1 1 55 55 GLU N N 15 121.942 0.4 . 1 . . . A 55 GLU N . 19312 1 608 . 1 1 56 56 GLY H H 1 8.409 0.02 . 1 . . . A 56 GLY H . 19312 1 609 . 1 1 56 56 GLY HA2 H 1 3.971 0.02 . 1 . . . A 56 GLY HA2 . 19312 1 610 . 1 1 56 56 GLY HA3 H 1 3.971 0.02 . 1 . . . A 56 GLY HA3 . 19312 1 611 . 1 1 56 56 GLY C C 13 174.144 0.4 . 1 . . . A 56 GLY C . 19312 1 612 . 1 1 56 56 GLY CA C 13 45.117 0.4 . 1 . . . A 56 GLY CA . 19312 1 613 . 1 1 56 56 GLY N N 15 109.694 0.4 . 1 . . . A 56 GLY N . 19312 1 614 . 1 1 57 57 ILE H H 1 8.025 0.02 . 1 . . . A 57 ILE H . 19312 1 615 . 1 1 57 57 ILE HA H 1 4.151 0.02 . 1 . . . A 57 ILE HA . 19312 1 616 . 1 1 57 57 ILE HB H 1 1.863 0.02 . 1 . . . A 57 ILE HB . 19312 1 617 . 1 1 57 57 ILE HG12 H 1 1.184 0.02 . 2 . . . A 57 ILE HG12 . 19312 1 618 . 1 1 57 57 ILE HG13 H 1 1.454 0.02 . 2 . . . A 57 ILE HG13 . 19312 1 619 . 1 1 57 57 ILE HG21 H 1 0.900 0.02 . 1 . . . A 57 ILE HG21 . 19312 1 620 . 1 1 57 57 ILE HG22 H 1 0.900 0.02 . 1 . . . A 57 ILE HG22 . 19312 1 621 . 1 1 57 57 ILE HG23 H 1 0.900 0.02 . 1 . . . A 57 ILE HG23 . 19312 1 622 . 1 1 57 57 ILE HD11 H 1 0.860 0.02 . 1 . . . A 57 ILE HD11 . 19312 1 623 . 1 1 57 57 ILE HD12 H 1 0.860 0.02 . 1 . . . A 57 ILE HD12 . 19312 1 624 . 1 1 57 57 ILE HD13 H 1 0.860 0.02 . 1 . . . A 57 ILE HD13 . 19312 1 625 . 1 1 57 57 ILE C C 13 176.529 0.4 . 1 . . . A 57 ILE C . 19312 1 626 . 1 1 57 57 ILE CA C 13 61.303 0.4 . 1 . . . A 57 ILE CA . 19312 1 627 . 1 1 57 57 ILE CB C 13 38.606 0.4 . 1 . . . A 57 ILE CB . 19312 1 628 . 1 1 57 57 ILE CG1 C 13 27.256 0.4 . 1 . . . A 57 ILE CG1 . 19312 1 629 . 1 1 57 57 ILE CG2 C 13 17.415 0.4 . 1 . . . A 57 ILE CG2 . 19312 1 630 . 1 1 57 57 ILE CD1 C 13 12.873 0.4 . 1 . . . A 57 ILE CD1 . 19312 1 631 . 1 1 57 57 ILE N N 15 119.901 0.4 . 1 . . . A 57 ILE N . 19312 1 632 . 1 1 58 58 GLN H H 1 8.550 0.02 . 1 . . . A 58 GLN H . 19312 1 633 . 1 1 58 58 GLN HA H 1 4.411 0.02 . 1 . . . A 58 GLN HA . 19312 1 634 . 1 1 58 58 GLN HB2 H 1 2.006 0.02 . 2 . . . A 58 GLN HB2 . 19312 1 635 . 1 1 58 58 GLN HB3 H 1 2.122 0.02 . 2 . . . A 58 GLN HB3 . 19312 1 636 . 1 1 58 58 GLN HG2 H 1 2.382 0.02 . 1 . . . A 58 GLN HG2 . 19312 1 637 . 1 1 58 58 GLN HG3 H 1 2.382 0.02 . 1 . . . A 58 GLN HG3 . 19312 1 638 . 1 1 58 58 GLN HE21 H 1 6.870 0.02 . 2 . . . A 58 GLN HE21 . 19312 1 639 . 1 1 58 58 GLN HE22 H 1 7.517 0.02 . 2 . . . A 58 GLN HE22 . 19312 1 640 . 1 1 58 58 GLN C C 13 176.143 0.4 . 1 . . . A 58 GLN C . 19312 1 641 . 1 1 58 58 GLN CA C 13 55.731 0.4 . 1 . . . A 58 GLN CA . 19312 1 642 . 1 1 58 58 GLN CB C 13 29.258 0.4 . 1 . . . A 58 GLN CB . 19312 1 643 . 1 1 58 58 GLN CG C 13 33.696 0.4 . 1 . . . A 58 GLN CG . 19312 1 644 . 1 1 58 58 GLN N N 15 124.003 0.4 . 1 . . . A 58 GLN N . 19312 1 645 . 1 1 58 58 GLN NE2 N 15 112.406 0.4 . 1 . . . A 58 GLN NE2 . 19312 1 646 . 1 1 59 59 THR H H 1 8.171 0.02 . 1 . . . A 59 THR H . 19312 1 647 . 1 1 59 59 THR HA H 1 4.296 0.02 . 1 . . . A 59 THR HA . 19312 1 648 . 1 1 59 59 THR HB H 1 4.197 0.02 . 1 . . . A 59 THR HB . 19312 1 649 . 1 1 59 59 THR HG21 H 1 1.196 0.02 . 1 . . . A 59 THR HG21 . 19312 1 650 . 1 1 59 59 THR HG22 H 1 1.196 0.02 . 1 . . . A 59 THR HG22 . 19312 1 651 . 1 1 59 59 THR HG23 H 1 1.196 0.02 . 1 . . . A 59 THR HG23 . 19312 1 652 . 1 1 59 59 THR C C 13 174.411 0.4 . 1 . . . A 59 THR C . 19312 1 653 . 1 1 59 59 THR CA C 13 61.953 0.4 . 1 . . . A 59 THR CA . 19312 1 654 . 1 1 59 59 THR CB C 13 69.586 0.4 . 1 . . . A 59 THR CB . 19312 1 655 . 1 1 59 59 THR CG2 C 13 21.626 0.4 . 1 . . . A 59 THR CG2 . 19312 1 656 . 1 1 59 59 THR N N 15 115.836 0.4 . 1 . . . A 59 THR N . 19312 1 657 . 1 1 60 60 ARG H H 1 8.301 0.02 . 1 . . . A 60 ARG H . 19312 1 658 . 1 1 60 60 ARG HA H 1 4.350 0.02 . 1 . . . A 60 ARG HA . 19312 1 659 . 1 1 60 60 ARG HB2 H 1 1.762 0.02 . 2 . . . A 60 ARG HB2 . 19312 1 660 . 1 1 60 60 ARG HB3 H 1 1.859 0.02 . 2 . . . A 60 ARG HB3 . 19312 1 661 . 1 1 60 60 ARG HG2 H 1 1.644 0.02 . 2 . . . A 60 ARG HG2 . 19312 1 662 . 1 1 60 60 ARG HG3 H 1 1.585 0.02 . 2 . . . A 60 ARG HG3 . 19312 1 663 . 1 1 60 60 ARG HD2 H 1 3.192 0.02 . 1 . . . A 60 ARG HD2 . 19312 1 664 . 1 1 60 60 ARG HD3 H 1 3.192 0.02 . 1 . . . A 60 ARG HD3 . 19312 1 665 . 1 1 60 60 ARG C C 13 176.071 0.4 . 1 . . . A 60 ARG C . 19312 1 666 . 1 1 60 60 ARG CA C 13 55.927 0.4 . 1 . . . A 60 ARG CA . 19312 1 667 . 1 1 60 60 ARG CB C 13 30.731 0.4 . 1 . . . A 60 ARG CB . 19312 1 668 . 1 1 60 60 ARG CG C 13 26.988 0.4 . 1 . . . A 60 ARG CG . 19312 1 669 . 1 1 60 60 ARG CD C 13 43.274 0.4 . 1 . . . A 60 ARG CD . 19312 1 670 . 1 1 60 60 ARG N N 15 123.534 0.4 . 1 . . . A 60 ARG N . 19312 1 671 . 1 1 61 61 LYS H H 1 8.146 0.02 . 1 . . . A 61 LYS H . 19312 1 672 . 1 1 61 61 LYS HA H 1 4.298 0.02 . 1 . . . A 61 LYS HA . 19312 1 673 . 1 1 61 61 LYS HB2 H 1 1.750 0.02 . 2 . . . A 61 LYS HB2 . 19312 1 674 . 1 1 61 61 LYS HB3 H 1 1.823 0.02 . 2 . . . A 61 LYS HB3 . 19312 1 675 . 1 1 61 61 LYS C C 13 176.325 0.4 . 1 . . . A 61 LYS C . 19312 1 676 . 1 1 61 61 LYS CA C 13 56.296 0.4 . 1 . . . A 61 LYS CA . 19312 1 677 . 1 1 61 61 LYS CB C 13 32.917 0.4 . 1 . . . A 61 LYS CB . 19312 1 678 . 1 1 61 61 LYS CE C 13 42.100 0.4 . 1 . . . A 61 LYS CE . 19312 1 679 . 1 1 61 61 LYS N N 15 121.266 0.4 . 1 . . . A 61 LYS N . 19312 1 680 . 1 1 62 62 ARG H H 1 8.391 0.02 . 1 . . . A 62 ARG H . 19312 1 681 . 1 1 62 62 ARG HA H 1 4.328 0.02 . 1 . . . A 62 ARG HA . 19312 1 682 . 1 1 62 62 ARG HB2 H 1 1.761 0.02 . 2 . . . A 62 ARG HB2 . 19312 1 683 . 1 1 62 62 ARG HB3 H 1 1.879 0.02 . 2 . . . A 62 ARG HB3 . 19312 1 684 . 1 1 62 62 ARG HG2 H 1 1.584 0.02 . 2 . . . A 62 ARG HG2 . 19312 1 685 . 1 1 62 62 ARG HG3 H 1 1.643 0.02 . 2 . . . A 62 ARG HG3 . 19312 1 686 . 1 1 62 62 ARG HD2 H 1 3.190 0.02 . 1 . . . A 62 ARG HD2 . 19312 1 687 . 1 1 62 62 ARG HD3 H 1 3.190 0.02 . 1 . . . A 62 ARG HD3 . 19312 1 688 . 1 1 62 62 ARG C C 13 175.275 0.4 . 1 . . . A 62 ARG C . 19312 1 689 . 1 1 62 62 ARG CA C 13 56.082 0.4 . 1 . . . A 62 ARG CA . 19312 1 690 . 1 1 62 62 ARG CB C 13 30.929 0.4 . 1 . . . A 62 ARG CB . 19312 1 691 . 1 1 62 62 ARG CG C 13 26.977 0.4 . 1 . . . A 62 ARG CG . 19312 1 692 . 1 1 62 62 ARG CD C 13 43.284 0.4 . 1 . . . A 62 ARG CD . 19312 1 693 . 1 1 62 62 ARG N N 15 123.156 0.4 . 1 . . . A 62 ARG N . 19312 1 694 . 1 1 63 63 LYS H H 1 7.980 0.02 . 1 . . . A 63 LYS H . 19312 1 695 . 1 1 63 63 LYS HA H 1 4.119 0.02 . 1 . . . A 63 LYS HA . 19312 1 696 . 1 1 63 63 LYS HB2 H 1 1.712 0.02 . 2 . . . A 63 LYS HB2 . 19312 1 697 . 1 1 63 63 LYS HB3 H 1 1.794 0.02 . 2 . . . A 63 LYS HB3 . 19312 1 698 . 1 1 63 63 LYS HG2 H 1 1.402 0.02 . 1 . . . A 63 LYS HG2 . 19312 1 699 . 1 1 63 63 LYS HG3 H 1 1.402 0.02 . 1 . . . A 63 LYS HG3 . 19312 1 700 . 1 1 63 63 LYS HD2 H 1 1.682 0.02 . 1 . . . A 63 LYS HD2 . 19312 1 701 . 1 1 63 63 LYS HD3 H 1 1.682 0.02 . 1 . . . A 63 LYS HD3 . 19312 1 702 . 1 1 63 63 LYS HE2 H 1 2.996 0.02 . 1 . . . A 63 LYS HE2 . 19312 1 703 . 1 1 63 63 LYS HE3 H 1 2.996 0.02 . 1 . . . A 63 LYS HE3 . 19312 1 704 . 1 1 63 63 LYS C C 13 181.193 0.4 . 1 . . . A 63 LYS C . 19312 1 705 . 1 1 63 63 LYS CA C 13 57.713 0.4 . 1 . . . A 63 LYS CA . 19312 1 706 . 1 1 63 63 LYS CB C 13 33.490 0.4 . 1 . . . A 63 LYS CB . 19312 1 707 . 1 1 63 63 LYS CG C 13 24.635 0.4 . 1 . . . A 63 LYS CG . 19312 1 708 . 1 1 63 63 LYS CD C 13 29.026 0.4 . 1 . . . A 63 LYS CD . 19312 1 709 . 1 1 63 63 LYS CE C 13 42.005 0.4 . 1 . . . A 63 LYS CE . 19312 1 710 . 1 1 63 63 LYS N N 15 127.741 0.4 . 1 . . . A 63 LYS N . 19312 1 stop_ save_