################################### # 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 16620 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16620 1 2 '3D HNCA' . . . 16620 1 3 '3D CBCA(CO)NH' . . . 16620 1 4 '3D HBHA(CO)NH' . . . 16620 1 5 '3D HCCH-TOCSY' . . . 16620 1 6 '3D (H)CCH-TOCSY' . . . 16620 1 7 '3D 1H-15N NOESY' . . . 16620 1 8 '3D 1H-13C NOESY' . . . 16620 1 9 '3D 1H-13C_arom NOESY' . . . 16620 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 1 $NMRPipe . . 16620 1 2 $SPARKY . . 16620 1 3 $FMC . . 16620 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 20 20 LYS HA H 1 4.205 0.04 . 1 . . . . . 2 LYS HA . 16620 1 2 . 1 1 20 20 LYS HB2 H 1 1.785 0.04 . 2 . . . . . 2 LYS HB2 . 16620 1 3 . 1 1 20 20 LYS HB3 H 1 1.676 0.04 . 2 . . . . . 2 LYS HB3 . 16620 1 4 . 1 1 20 20 LYS HD2 H 1 1.522 0.04 . 2 . . . . . 2 LYS HD2 . 16620 1 5 . 1 1 20 20 LYS HD3 H 1 1.522 0.04 . 2 . . . . . 2 LYS HD3 . 16620 1 6 . 1 1 20 20 LYS HE2 H 1 3.072 0.04 . 2 . . . . . 2 LYS HE2 . 16620 1 7 . 1 1 20 20 LYS HE3 H 1 3.072 0.04 . 2 . . . . . 2 LYS HE3 . 16620 1 8 . 1 1 20 20 LYS C C 13 176.538 0.4 . 1 . . . . . 2 LYS C . 16620 1 9 . 1 1 20 20 LYS CA C 13 56.364 0.40 . 1 . . . . . 2 LYS CA . 16620 1 10 . 1 1 20 20 LYS CB C 13 30.708 0.40 . 1 . . . . . 2 LYS CB . 16620 1 11 . 1 1 20 20 LYS CD C 13 27.169 0.40 . 1 . . . . . 2 LYS CD . 16620 1 12 . 1 1 20 20 LYS CE C 13 43.300 0.40 . 1 . . . . . 2 LYS CE . 16620 1 13 . 1 1 21 21 ARG H H 1 8.541 0.04 . 1 . . . . . 3 ARG H . 16620 1 14 . 1 1 21 21 ARG N N 15 120.785 0.40 . 1 . . . . . 3 ARG N . 16620 1 15 . 1 1 22 22 ALA HA H 1 4.082 0.04 . 1 . . . . . 4 ALA HA . 16620 1 16 . 1 1 22 22 ALA HB1 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1 17 . 1 1 22 22 ALA HB2 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1 18 . 1 1 22 22 ALA HB3 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1 19 . 1 1 22 22 ALA CA C 13 54.047 0.40 . 1 . . . . . 4 ALA CA . 16620 1 20 . 1 1 22 22 ALA CB C 13 18.824 0.40 . 1 . . . . . 4 ALA CB . 16620 1 21 . 1 1 23 23 ALA HA H 1 4.177 0.04 . 1 . . . . . 5 ALA HA . 16620 1 22 . 1 1 23 23 ALA HB1 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1 23 . 1 1 23 23 ALA HB2 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1 24 . 1 1 23 23 ALA HB3 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1 25 . 1 1 23 23 ALA C C 13 178.940 0.4 . 1 . . . . . 5 ALA C . 16620 1 26 . 1 1 23 23 ALA CA C 13 53.798 0.40 . 1 . . . . . 5 ALA CA . 16620 1 27 . 1 1 23 23 ALA CB C 13 18.753 0.40 . 1 . . . . . 5 ALA CB . 16620 1 28 . 1 1 24 24 ALA H H 1 7.783 0.04 . 1 . . . . . 6 ALA H . 16620 1 29 . 1 1 24 24 ALA HA H 1 4.007 0.04 . 1 . . . . . 6 ALA HA . 16620 1 30 . 1 1 24 24 ALA HB1 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1 31 . 1 1 24 24 ALA HB2 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1 32 . 1 1 24 24 ALA HB3 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1 33 . 1 1 24 24 ALA C C 13 178.203 0.4 . 1 . . . . . 6 ALA C . 16620 1 34 . 1 1 24 24 ALA CA C 13 54.590 0.40 . 1 . . . . . 6 ALA CA . 16620 1 35 . 1 1 24 24 ALA CB C 13 18.494 0.40 . 1 . . . . . 6 ALA CB . 16620 1 36 . 1 1 24 24 ALA N N 15 121.484 0.40 . 1 . . . . . 6 ALA N . 16620 1 37 . 1 1 25 25 LYS H H 1 7.921 0.04 . 1 . . . . . 7 LYS H . 16620 1 38 . 1 1 25 25 LYS HA H 1 3.723 0.04 . 1 . . . . . 7 LYS HA . 16620 1 39 . 1 1 25 25 LYS HB2 H 1 1.686 0.04 . 2 . . . . . 7 LYS HB2 . 16620 1 40 . 1 1 25 25 LYS HB3 H 1 1.686 0.04 . 2 . . . . . 7 LYS HB3 . 16620 1 41 . 1 1 25 25 LYS HD2 H 1 1.526 0.04 . 2 . . . . . 7 LYS HD2 . 16620 1 42 . 1 1 25 25 LYS HD3 H 1 1.526 0.04 . 2 . . . . . 7 LYS HD3 . 16620 1 43 . 1 1 25 25 LYS HE2 H 1 2.836 0.04 . 2 . . . . . 7 LYS HE2 . 16620 1 44 . 1 1 25 25 LYS HE3 H 1 2.836 0.04 . 2 . . . . . 7 LYS HE3 . 16620 1 45 . 1 1 25 25 LYS HG2 H 1 1.300 0.04 . 2 . . . . . 7 LYS HG2 . 16620 1 46 . 1 1 25 25 LYS HG3 H 1 1.208 0.04 . 2 . . . . . 7 LYS HG3 . 16620 1 47 . 1 1 25 25 LYS C C 13 178.121 0.4 . 1 . . . . . 7 LYS C . 16620 1 48 . 1 1 25 25 LYS CA C 13 59.475 0.40 . 1 . . . . . 7 LYS CA . 16620 1 49 . 1 1 25 25 LYS CB C 13 32.382 0.40 . 1 . . . . . 7 LYS CB . 16620 1 50 . 1 1 25 25 LYS CD C 13 29.380 0.40 . 1 . . . . . 7 LYS CD . 16620 1 51 . 1 1 25 25 LYS CE C 13 42.044 0.40 . 1 . . . . . 7 LYS CE . 16620 1 52 . 1 1 25 25 LYS CG C 13 24.713 0.40 . 1 . . . . . 7 LYS CG . 16620 1 53 . 1 1 25 25 LYS N N 15 117.083 0.40 . 1 . . . . . 7 LYS N . 16620 1 54 . 1 1 26 26 HIS H H 1 7.810 0.04 . 1 . . . . . 8 HIS H . 16620 1 55 . 1 1 26 26 HIS HA H 1 4.327 0.04 . 1 . . . . . 8 HIS HA . 16620 1 56 . 1 1 26 26 HIS HB2 H 1 3.102 0.04 . 2 . . . . . 8 HIS HB2 . 16620 1 57 . 1 1 26 26 HIS HB3 H 1 3.102 0.04 . 2 . . . . . 8 HIS HB3 . 16620 1 58 . 1 1 26 26 HIS C C 13 175.774 0.4 . 1 . . . . . 8 HIS C . 16620 1 59 . 1 1 26 26 HIS CA C 13 58.657 0.40 . 1 . . . . . 8 HIS CA . 16620 1 60 . 1 1 26 26 HIS CB C 13 30.271 0.40 . 1 . . . . . 8 HIS CB . 16620 1 61 . 1 1 26 26 HIS N N 15 117.117 0.40 . 1 . . . . . 8 HIS N . 16620 1 62 . 1 1 27 27 LEU H H 1 7.710 0.04 . 1 . . . . . 9 LEU H . 16620 1 63 . 1 1 27 27 LEU HA H 1 3.921 0.04 . 1 . . . . . 9 LEU HA . 16620 1 64 . 1 1 27 27 LEU HB2 H 1 1.923 0.04 . 2 . . . . . 9 LEU HB2 . 16620 1 65 . 1 1 27 27 LEU HB3 H 1 1.650 0.04 . 2 . . . . . 9 LEU HB3 . 16620 1 66 . 1 1 27 27 LEU HD11 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1 67 . 1 1 27 27 LEU HD12 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1 68 . 1 1 27 27 LEU HD13 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1 69 . 1 1 27 27 LEU HD21 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1 70 . 1 1 27 27 LEU HD22 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1 71 . 1 1 27 27 LEU HD23 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1 72 . 1 1 27 27 LEU C C 13 178.585 0.4 . 1 . . . . . 9 LEU C . 16620 1 73 . 1 1 27 27 LEU CA C 13 58.002 0.40 . 1 . . . . . 9 LEU CA . 16620 1 74 . 1 1 27 27 LEU CB C 13 42.288 0.40 . 1 . . . . . 9 LEU CB . 16620 1 75 . 1 1 27 27 LEU CD1 C 13 25.348 0.40 . 1 . . . . . 9 LEU CD1 . 16620 1 76 . 1 1 27 27 LEU CD2 C 13 23.696 0.40 . 1 . . . . . 9 LEU CD2 . 16620 1 77 . 1 1 27 27 LEU N N 15 120.717 0.40 . 1 . . . . . 9 LEU N . 16620 1 78 . 1 1 28 28 ILE H H 1 8.559 0.04 . 1 . . . . . 10 ILE H . 16620 1 79 . 1 1 28 28 ILE HA H 1 3.656 0.04 . 1 . . . . . 10 ILE HA . 16620 1 80 . 1 1 28 28 ILE HB H 1 1.602 0.04 . 1 . . . . . 10 ILE HB . 16620 1 81 . 1 1 28 28 ILE HD11 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1 82 . 1 1 28 28 ILE HD12 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1 83 . 1 1 28 28 ILE HD13 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1 84 . 1 1 28 28 ILE HG12 H 1 1.230 0.04 . 2 . . . . . 10 ILE HG12 . 16620 1 85 . 1 1 28 28 ILE HG13 H 1 0.576 0.04 . 2 . . . . . 10 ILE HG13 . 16620 1 86 . 1 1 28 28 ILE HG21 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1 87 . 1 1 28 28 ILE HG22 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1 88 . 1 1 28 28 ILE HG23 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1 89 . 1 1 28 28 ILE C C 13 178.148 0.4 . 1 . . . . . 10 ILE C . 16620 1 90 . 1 1 28 28 ILE CA C 13 66.845 0.40 . 1 . . . . . 10 ILE CA . 16620 1 91 . 1 1 28 28 ILE CB C 13 37.913 0.40 . 1 . . . . . 10 ILE CB . 16620 1 92 . 1 1 28 28 ILE CD1 C 13 14.171 0.40 . 1 . . . . . 10 ILE CD1 . 16620 1 93 . 1 1 28 28 ILE CG1 C 13 30.718 0.40 . 1 . . . . . 10 ILE CG1 . 16620 1 94 . 1 1 28 28 ILE CG2 C 13 17.855 0.40 . 1 . . . . . 10 ILE CG2 . 16620 1 95 . 1 1 28 28 ILE N N 15 120.086 0.40 . 1 . . . . . 10 ILE N . 16620 1 96 . 1 1 29 29 GLU H H 1 7.849 0.04 . 1 . . . . . 11 GLU H . 16620 1 97 . 1 1 29 29 GLU HA H 1 4.013 0.04 . 1 . . . . . 11 GLU HA . 16620 1 98 . 1 1 29 29 GLU HB2 H 1 2.174 0.04 . 2 . . . . . 11 GLU HB2 . 16620 1 99 . 1 1 29 29 GLU HB3 H 1 2.038 0.04 . 2 . . . . . 11 GLU HB3 . 16620 1 100 . 1 1 29 29 GLU HG2 H 1 2.391 0.04 . 2 . . . . . 11 GLU HG2 . 16620 1 101 . 1 1 29 29 GLU HG3 H 1 2.391 0.04 . 2 . . . . . 11 GLU HG3 . 16620 1 102 . 1 1 29 29 GLU C C 13 179.376 0.4 . 1 . . . . . 11 GLU C . 16620 1 103 . 1 1 29 29 GLU CA C 13 59.584 0.40 . 1 . . . . . 11 GLU CA . 16620 1 104 . 1 1 29 29 GLU CB C 13 29.070 0.40 . 1 . . . . . 11 GLU CB . 16620 1 105 . 1 1 29 29 GLU CG C 13 36.968 0.40 . 1 . . . . . 11 GLU CG . 16620 1 106 . 1 1 29 29 GLU N N 15 118.346 0.40 . 1 . . . . . 11 GLU N . 16620 1 107 . 1 1 30 30 ARG H H 1 7.839 0.04 . 1 . . . . . 12 ARG H . 16620 1 108 . 1 1 30 30 ARG HA H 1 4.064 0.04 . 1 . . . . . 12 ARG HA . 16620 1 109 . 1 1 30 30 ARG HB2 H 1 1.909 0.04 . 2 . . . . . 12 ARG HB2 . 16620 1 110 . 1 1 30 30 ARG HB3 H 1 1.734 0.04 . 2 . . . . . 12 ARG HB3 . 16620 1 111 . 1 1 30 30 ARG HD2 H 1 3.073 0.04 . 2 . . . . . 12 ARG HD2 . 16620 1 112 . 1 1 30 30 ARG HD3 H 1 2.871 0.04 . 2 . . . . . 12 ARG HD3 . 16620 1 113 . 1 1 30 30 ARG HG2 H 1 1.654 0.04 . 2 . . . . . 12 ARG HG2 . 16620 1 114 . 1 1 30 30 ARG HG3 H 1 1.424 0.04 . 2 . . . . . 12 ARG HG3 . 16620 1 115 . 1 1 30 30 ARG C C 13 180.318 0.4 . 1 . . . . . 12 ARG C . 16620 1 116 . 1 1 30 30 ARG CA C 13 59.585 0.40 . 1 . . . . . 12 ARG CA . 16620 1 117 . 1 1 30 30 ARG CB C 13 29.234 0.40 . 1 . . . . . 12 ARG CB . 16620 1 118 . 1 1 30 30 ARG CD C 13 43.300 0.40 . 1 . . . . . 12 ARG CD . 16620 1 119 . 1 1 30 30 ARG CG C 13 26.814 0.40 . 1 . . . . . 12 ARG CG . 16620 1 120 . 1 1 30 30 ARG N N 15 120.904 0.40 . 1 . . . . . 12 ARG N . 16620 1 121 . 1 1 31 31 TYR H H 1 8.545 0.04 . 1 . . . . . 13 TYR H . 16620 1 122 . 1 1 31 31 TYR HA H 1 4.064 0.04 . 1 . . . . . 13 TYR HA . 16620 1 123 . 1 1 31 31 TYR HB2 H 1 3.225 0.04 . 2 . . . . . 13 TYR HB2 . 16620 1 124 . 1 1 31 31 TYR HB3 H 1 2.904 0.04 . 2 . . . . . 13 TYR HB3 . 16620 1 125 . 1 1 31 31 TYR HD1 H 1 7.025 0.04 . 3 . . . . . 13 TYR HD1 . 16620 1 126 . 1 1 31 31 TYR HD2 H 1 7.025 0.04 . 3 . . . . . 13 TYR HD2 . 16620 1 127 . 1 1 31 31 TYR HE1 H 1 6.496 0.04 . 3 . . . . . 13 TYR HE1 . 16620 1 128 . 1 1 31 31 TYR HE2 H 1 6.496 0.04 . 3 . . . . . 13 TYR HE2 . 16620 1 129 . 1 1 31 31 TYR C C 13 177.725 0.4 . 1 . . . . . 13 TYR C . 16620 1 130 . 1 1 31 31 TYR CA C 13 63.351 0.40 . 1 . . . . . 13 TYR CA . 16620 1 131 . 1 1 31 31 TYR CB C 13 38.623 0.40 . 1 . . . . . 13 TYR CB . 16620 1 132 . 1 1 31 31 TYR CD1 C 13 131.400 0.40 . 1 . . . . . 13 TYR CD1 . 16620 1 133 . 1 1 31 31 TYR CE1 C 13 116.910 0.40 . 1 . . . . . 13 TYR CE1 . 16620 1 134 . 1 1 31 31 TYR N N 15 120.393 0.40 . 1 . . . . . 13 TYR N . 16620 1 135 . 1 1 32 32 TYR H H 1 8.783 0.04 . 1 . . . . . 14 TYR H . 16620 1 136 . 1 1 32 32 TYR HA H 1 3.948 0.04 . 1 . . . . . 14 TYR HA . 16620 1 137 . 1 1 32 32 TYR HB2 H 1 3.170 0.04 . 2 . . . . . 14 TYR HB2 . 16620 1 138 . 1 1 32 32 TYR HB3 H 1 2.925 0.04 . 2 . . . . . 14 TYR HB3 . 16620 1 139 . 1 1 32 32 TYR HD1 H 1 6.804 0.04 . 3 . . . . . 14 TYR HD1 . 16620 1 140 . 1 1 32 32 TYR HD2 H 1 6.804 0.04 . 3 . . . . . 14 TYR HD2 . 16620 1 141 . 1 1 32 32 TYR HE1 H 1 6.922 0.04 . 3 . . . . . 14 TYR HE1 . 16620 1 142 . 1 1 32 32 TYR HE2 H 1 6.922 0.04 . 3 . . . . . 14 TYR HE2 . 16620 1 143 . 1 1 32 32 TYR C C 13 178.599 0.4 . 1 . . . . . 14 TYR C . 16620 1 144 . 1 1 32 32 TYR CA C 13 62.669 0.40 . 1 . . . . . 14 TYR CA . 16620 1 145 . 1 1 32 32 TYR CB C 13 38.350 0.40 . 1 . . . . . 14 TYR CB . 16620 1 146 . 1 1 32 32 TYR CD1 C 13 132.360 0.40 . 1 . . . . . 14 TYR CD1 . 16620 1 147 . 1 1 32 32 TYR CE1 C 13 118.830 0.40 . 1 . . . . . 14 TYR CE1 . 16620 1 148 . 1 1 32 32 TYR N N 15 120.342 0.40 . 1 . . . . . 14 TYR N . 16620 1 149 . 1 1 33 33 HIS H H 1 8.740 0.04 . 1 . . . . . 15 HIS H . 16620 1 150 . 1 1 33 33 HIS HA H 1 3.906 0.04 . 1 . . . . . 15 HIS HA . 16620 1 151 . 1 1 33 33 HIS HB2 H 1 3.239 0.04 . 2 . . . . . 15 HIS HB2 . 16620 1 152 . 1 1 33 33 HIS HB3 H 1 3.239 0.04 . 2 . . . . . 15 HIS HB3 . 16620 1 153 . 1 1 33 33 HIS C C 13 177.834 0.4 . 1 . . . . . 15 HIS C . 16620 1 154 . 1 1 33 33 HIS CA C 13 60.622 0.40 . 1 . . . . . 15 HIS CA . 16620 1 155 . 1 1 33 33 HIS CB C 13 30.599 0.40 . 1 . . . . . 15 HIS CB . 16620 1 156 . 1 1 33 33 HIS N N 15 121.297 0.40 . 1 . . . . . 15 HIS N . 16620 1 157 . 1 1 34 34 GLN H H 1 8.371 0.04 . 1 . . . . . 16 GLN H . 16620 1 158 . 1 1 34 34 GLN HA H 1 3.709 0.04 . 1 . . . . . 16 GLN HA . 16620 1 159 . 1 1 34 34 GLN HB2 H 1 2.236 0.04 . 2 . . . . . 16 GLN HB2 . 16620 1 160 . 1 1 34 34 GLN HB3 H 1 2.468 0.04 . 2 . . . . . 16 GLN HB3 . 16620 1 161 . 1 1 34 34 GLN HE21 H 1 7.283 0.04 . 1 . . . . . 16 GLN HE21 . 16620 1 162 . 1 1 34 34 GLN HE22 H 1 7.161 0.04 . 2 . . . . . 16 GLN HE22 . 16620 1 163 . 1 1 34 34 GLN HG2 H 1 2.870 0.04 . 2 . . . . . 16 GLN HG2 . 16620 1 164 . 1 1 34 34 GLN HG3 H 1 2.659 0.04 . 2 . . . . . 16 GLN HG3 . 16620 1 165 . 1 1 34 34 GLN C C 13 176.238 0.4 . 1 . . . . . 16 GLN C . 16620 1 166 . 1 1 34 34 GLN CA C 13 60.185 0.40 . 1 . . . . . 16 GLN CA . 16620 1 167 . 1 1 34 34 GLN CB C 13 30.653 0.40 . 1 . . . . . 16 GLN CB . 16620 1 168 . 1 1 34 34 GLN CG C 13 35.262 0.40 . 1 . . . . . 16 GLN CG . 16620 1 169 . 1 1 34 34 GLN N N 15 122.576 0.40 . 1 . . . . . 16 GLN N . 16620 1 170 . 1 1 34 34 GLN NE2 N 15 108.128 0.04 . 1 . . . . . 16 GLN NE2 . 16620 1 171 . 1 1 35 35 LEU H H 1 7.916 0.04 . 1 . . . . . 17 LEU H . 16620 1 172 . 1 1 35 35 LEU HA H 1 3.978 0.04 . 1 . . . . . 17 LEU HA . 16620 1 173 . 1 1 35 35 LEU HB2 H 1 1.911 0.04 . 2 . . . . . 17 LEU HB2 . 16620 1 174 . 1 1 35 35 LEU HB3 H 1 1.630 0.04 . 2 . . . . . 17 LEU HB3 . 16620 1 175 . 1 1 35 35 LEU HD11 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1 176 . 1 1 35 35 LEU HD12 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1 177 . 1 1 35 35 LEU HD13 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1 178 . 1 1 35 35 LEU HD21 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1 179 . 1 1 35 35 LEU HD22 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1 180 . 1 1 35 35 LEU HD23 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1 181 . 1 1 35 35 LEU HG H 1 2.021 0.04 . 1 . . . . . 17 LEU HG . 16620 1 182 . 1 1 35 35 LEU C C 13 175.624 0.4 . 1 . . . . . 17 LEU C . 16620 1 183 . 1 1 35 35 LEU CA C 13 56.377 0.40 . 1 . . . . . 17 LEU CA . 16620 1 184 . 1 1 35 35 LEU CB C 13 45.098 0.40 . 1 . . . . . 17 LEU CB . 16620 1 185 . 1 1 35 35 LEU CD1 C 13 27.367 0.40 . 1 . . . . . 17 LEU CD1 . 16620 1 186 . 1 1 35 35 LEU CD2 C 13 23.874 0.40 . 1 . . . . . 17 LEU CD2 . 16620 1 187 . 1 1 35 35 LEU CG C 13 27.087 0.40 . 1 . . . . . 17 LEU CG . 16620 1 188 . 1 1 35 35 LEU N N 15 116.299 0.40 . 1 . . . . . 17 LEU N . 16620 1 189 . 1 1 36 36 THR H H 1 7.148 0.04 . 1 . . . . . 18 THR H . 16620 1 190 . 1 1 36 36 THR HA H 1 4.215 0.04 . 1 . . . . . 18 THR HA . 16620 1 191 . 1 1 36 36 THR HB H 1 3.848 0.04 . 1 . . . . . 18 THR HB . 16620 1 192 . 1 1 36 36 THR HG21 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1 193 . 1 1 36 36 THR HG22 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1 194 . 1 1 36 36 THR HG23 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1 195 . 1 1 36 36 THR C C 13 174.709 0.4 . 1 . . . . . 18 THR C . 16620 1 196 . 1 1 36 36 THR CA C 13 61.522 0.40 . 1 . . . . . 18 THR CA . 16620 1 197 . 1 1 36 36 THR CB C 13 70.434 0.40 . 1 . . . . . 18 THR CB . 16620 1 198 . 1 1 36 36 THR CG2 C 13 21.445 0.40 . 1 . . . . . 18 THR CG2 . 16620 1 199 . 1 1 36 36 THR N N 15 105.023 0.40 . 1 . . . . . 18 THR N . 16620 1 200 . 1 1 37 37 GLU H H 1 8.234 0.04 . 1 . . . . . 19 GLU H . 16620 1 201 . 1 1 37 37 GLU HA H 1 4.187 0.04 . 1 . . . . . 19 GLU HA . 16620 1 202 . 1 1 37 37 GLU HB2 H 1 1.707 0.04 . 2 . . . . . 19 GLU HB2 . 16620 1 203 . 1 1 37 37 GLU HB3 H 1 1.185 0.04 . 2 . . . . . 19 GLU HB3 . 16620 1 204 . 1 1 37 37 GLU HG2 H 1 2.048 0.04 . 2 . . . . . 19 GLU HG2 . 16620 1 205 . 1 1 37 37 GLU HG3 H 1 2.048 0.04 . 2 . . . . . 19 GLU HG3 . 16620 1 206 . 1 1 37 37 GLU C C 13 177.657 0.4 . 1 . . . . . 19 GLU C . 16620 1 207 . 1 1 37 37 GLU CA C 13 56.855 0.40 . 1 . . . . . 19 GLU CA . 16620 1 208 . 1 1 37 37 GLU CB C 13 30.872 0.40 . 1 . . . . . 19 GLU CB . 16620 1 209 . 1 1 37 37 GLU CG C 13 36.176 0.40 . 1 . . . . . 19 GLU CG . 16620 1 210 . 1 1 37 37 GLU N N 15 122.559 0.40 . 1 . . . . . 19 GLU N . 16620 1 211 . 1 1 38 38 GLY H H 1 7.485 0.04 . 1 . . . . . 20 GLY H . 16620 1 212 . 1 1 38 38 GLY HA2 H 1 4.586 0.04 . 2 . . . . . 20 GLY HA2 . 16620 1 213 . 1 1 38 38 GLY HA3 H 1 4.358 0.04 . 2 . . . . . 20 GLY HA3 . 16620 1 214 . 1 1 38 38 GLY C C 13 172.976 0.4 . 1 . . . . . 20 GLY C . 16620 1 215 . 1 1 38 38 GLY CA C 13 44.177 0.40 . 1 . . . . . 20 GLY CA . 16620 1 216 . 1 1 38 38 GLY N N 15 107.019 0.40 . 1 . . . . . 20 GLY N . 16620 1 217 . 1 1 39 39 CYS H H 1 7.410 0.04 . 1 . . . . . 21 CYS H . 16620 1 218 . 1 1 39 39 CYS HA H 1 4.498 0.04 . 1 . . . . . 21 CYS HA . 16620 1 219 . 1 1 39 39 CYS HB2 H 1 3.160 0.04 . 2 . . . . . 21 CYS HB2 . 16620 1 220 . 1 1 39 39 CYS HB3 H 1 2.853 0.04 . 2 . . . . . 21 CYS HB3 . 16620 1 221 . 1 1 39 39 CYS C C 13 176.865 0.4 . 1 . . . . . 21 CYS C . 16620 1 222 . 1 1 39 39 CYS CA C 13 58.493 0.40 . 1 . . . . . 21 CYS CA . 16620 1 223 . 1 1 39 39 CYS CB C 13 31.636 0.40 . 1 . . . . . 21 CYS CB . 16620 1 224 . 1 1 39 39 CYS N N 15 118.260 0.40 . 1 . . . . . 21 CYS N . 16620 1 225 . 1 1 40 40 GLY H H 1 8.670 0.04 . 1 . . . . . 22 GLY H . 16620 1 226 . 1 1 40 40 GLY HA2 H 1 4.260 0.04 . 2 . . . . . 22 GLY HA2 . 16620 1 227 . 1 1 40 40 GLY HA3 H 1 3.505 0.04 . 2 . . . . . 22 GLY HA3 . 16620 1 228 . 1 1 40 40 GLY C C 13 173.618 0.4 . 1 . . . . . 22 GLY C . 16620 1 229 . 1 1 40 40 GLY CA C 13 45.188 0.40 . 1 . . . . . 22 GLY CA . 16620 1 230 . 1 1 40 40 GLY N N 15 112.324 0.40 . 1 . . . . . 22 GLY N . 16620 1 231 . 1 1 41 41 ASN H H 1 8.379 0.04 . 1 . . . . . 23 ASN H . 16620 1 232 . 1 1 41 41 ASN HA H 1 4.452 0.04 . 1 . . . . . 23 ASN HA . 16620 1 233 . 1 1 41 41 ASN HB2 H 1 2.990 0.04 . 2 . . . . . 23 ASN HB2 . 16620 1 234 . 1 1 41 41 ASN HB3 H 1 2.543 0.04 . 2 . . . . . 23 ASN HB3 . 16620 1 235 . 1 1 41 41 ASN HD21 H 1 7.870 0.04 . 1 . . . . . 23 ASN HD21 . 16620 1 236 . 1 1 41 41 ASN HD22 H 1 6.820 0.04 . 2 . . . . . 23 ASN HD22 . 16620 1 237 . 1 1 41 41 ASN C C 13 175.132 0.4 . 1 . . . . . 23 ASN C . 16620 1 238 . 1 1 41 41 ASN CA C 13 52.106 0.40 . 1 . . . . . 23 ASN CA . 16620 1 239 . 1 1 41 41 ASN CB C 13 38.678 0.40 . 1 . . . . . 23 ASN CB . 16620 1 240 . 1 1 41 41 ASN N N 15 122.184 0.40 . 1 . . . . . 23 ASN N . 16620 1 241 . 1 1 41 41 ASN ND2 N 15 112.222 0.04 . 1 . . . . . 23 ASN ND2 . 16620 1 242 . 1 1 42 42 GLU H H 1 8.769 0.04 . 1 . . . . . 24 GLU H . 16620 1 243 . 1 1 42 42 GLU HA H 1 4.167 0.04 . 1 . . . . . 24 GLU HA . 16620 1 244 . 1 1 42 42 GLU HB2 H 1 2.051 0.04 . 2 . . . . . 24 GLU HB2 . 16620 1 245 . 1 1 42 42 GLU HB3 H 1 1.952 0.04 . 2 . . . . . 24 GLU HB3 . 16620 1 246 . 1 1 42 42 GLU HG2 H 1 2.242 0.04 . 2 . . . . . 24 GLU HG2 . 16620 1 247 . 1 1 42 42 GLU HG3 H 1 2.242 0.04 . 2 . . . . . 24 GLU HG3 . 16620 1 248 . 1 1 42 42 GLU C C 13 175.801 0.4 . 1 . . . . . 24 GLU C . 16620 1 249 . 1 1 42 42 GLU CA C 13 57.947 0.40 . 1 . . . . . 24 GLU CA . 16620 1 250 . 1 1 42 42 GLU CB C 13 29.016 0.40 . 1 . . . . . 24 GLU CB . 16620 1 251 . 1 1 42 42 GLU CG C 13 36.258 0.40 . 1 . . . . . 24 GLU CG . 16620 1 252 . 1 1 42 42 GLU N N 15 124.589 0.40 . 1 . . . . . 24 GLU N . 16620 1 253 . 1 1 43 43 ALA H H 1 7.839 0.04 . 1 . . . . . 25 ALA H . 16620 1 254 . 1 1 43 43 ALA HA H 1 4.381 0.04 . 1 . . . . . 25 ALA HA . 16620 1 255 . 1 1 43 43 ALA HB1 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1 256 . 1 1 43 43 ALA HB2 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1 257 . 1 1 43 43 ALA HB3 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1 258 . 1 1 43 43 ALA C C 13 175.842 0.4 . 1 . . . . . 25 ALA C . 16620 1 259 . 1 1 43 43 ALA CA C 13 50.319 0.40 . 1 . . . . . 25 ALA CA . 16620 1 260 . 1 1 43 43 ALA CB C 13 18.563 0.40 . 1 . . . . . 25 ALA CB . 16620 1 261 . 1 1 43 43 ALA N N 15 121.706 0.40 . 1 . . . . . 25 ALA N . 16620 1 262 . 1 1 44 44 CYS H H 1 7.350 0.04 . 1 . . . . . 26 CYS H . 16620 1 263 . 1 1 44 44 CYS HA H 1 3.757 0.04 . 1 . . . . . 26 CYS HA . 16620 1 264 . 1 1 44 44 CYS HB2 H 1 3.010 0.04 . 2 . . . . . 26 CYS HB2 . 16620 1 265 . 1 1 44 44 CYS HB3 H 1 2.236 0.04 . 2 . . . . . 26 CYS HB3 . 16620 1 266 . 1 1 44 44 CYS C C 13 176.019 0.4 . 1 . . . . . 26 CYS C . 16620 1 267 . 1 1 44 44 CYS CA C 13 62.696 0.40 . 1 . . . . . 26 CYS CA . 16620 1 268 . 1 1 44 44 CYS CB C 13 29.671 0.40 . 1 . . . . . 26 CYS CB . 16620 1 269 . 1 1 44 44 CYS N N 15 124.265 0.40 . 1 . . . . . 26 CYS N . 16620 1 270 . 1 1 45 45 THR H H 1 7.872 0.04 . 1 . . . . . 27 THR H . 16620 1 271 . 1 1 45 45 THR HA H 1 4.511 0.04 . 1 . . . . . 27 THR HA . 16620 1 272 . 1 1 45 45 THR HB H 1 4.524 0.04 . 1 . . . . . 27 THR HB . 16620 1 273 . 1 1 45 45 THR HG21 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1 274 . 1 1 45 45 THR HG22 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1 275 . 1 1 45 45 THR HG23 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1 276 . 1 1 45 45 THR C C 13 174.969 0.4 . 1 . . . . . 27 THR C . 16620 1 277 . 1 1 45 45 THR CA C 13 61.113 0.40 . 1 . . . . . 27 THR CA . 16620 1 278 . 1 1 45 45 THR CB C 13 69.834 0.40 . 1 . . . . . 27 THR CB . 16620 1 279 . 1 1 45 45 THR CG2 C 13 21.567 0.40 . 1 . . . . . 27 THR CG2 . 16620 1 280 . 1 1 45 45 THR N N 15 115.292 0.40 . 1 . . . . . 27 THR N . 16620 1 281 . 1 1 46 46 ASN H H 1 9.336 0.04 . 1 . . . . . 28 ASN H . 16620 1 282 . 1 1 46 46 ASN HA H 1 4.430 0.04 . 1 . . . . . 28 ASN HA . 16620 1 283 . 1 1 46 46 ASN HB2 H 1 3.269 0.04 . 2 . . . . . 28 ASN HB2 . 16620 1 284 . 1 1 46 46 ASN HB3 H 1 2.601 0.04 . 2 . . . . . 28 ASN HB3 . 16620 1 285 . 1 1 46 46 ASN HD21 H 1 8.409 0.04 . 1 . . . . . 28 ASN HD21 . 16620 1 286 . 1 1 46 46 ASN HD22 H 1 6.484 0.04 . 2 . . . . . 28 ASN HD22 . 16620 1 287 . 1 1 46 46 ASN C C 13 174.273 0.4 . 1 . . . . . 28 ASN C . 16620 1 288 . 1 1 46 46 ASN CA C 13 53.144 0.40 . 1 . . . . . 28 ASN CA . 16620 1 289 . 1 1 46 46 ASN CB C 13 38.500 0.40 . 1 . . . . . 28 ASN CB . 16620 1 290 . 1 1 46 46 ASN N N 15 127.779 0.40 . 1 . . . . . 28 ASN N . 16620 1 291 . 1 1 46 46 ASN ND2 N 15 114.337 0.04 . 1 . . . . . 28 ASN ND2 . 16620 1 292 . 1 1 47 47 GLU H H 1 8.499 0.04 . 1 . . . . . 29 GLU H . 16620 1 293 . 1 1 47 47 GLU HA H 1 4.006 0.04 . 1 . . . . . 29 GLU HA . 16620 1 294 . 1 1 47 47 GLU HB2 H 1 1.744 0.04 . 2 . . . . . 29 GLU HB2 . 16620 1 295 . 1 1 47 47 GLU HB3 H 1 1.639 0.04 . 2 . . . . . 29 GLU HB3 . 16620 1 296 . 1 1 47 47 GLU HG2 H 1 1.519 0.04 . 2 . . . . . 29 GLU HG2 . 16620 1 297 . 1 1 47 47 GLU HG3 H 1 1.233 0.04 . 2 . . . . . 29 GLU HG3 . 16620 1 298 . 1 1 47 47 GLU C C 13 175.815 0.4 . 1 . . . . . 29 GLU C . 16620 1 299 . 1 1 47 47 GLU CA C 13 58.111 0.40 . 1 . . . . . 29 GLU CA . 16620 1 300 . 1 1 47 47 GLU CB C 13 29.070 0.40 . 1 . . . . . 29 GLU CB . 16620 1 301 . 1 1 47 47 GLU CG C 13 35.262 0.40 . 1 . . . . . 29 GLU CG . 16620 1 302 . 1 1 47 47 GLU N N 15 123.804 0.40 . 1 . . . . . 29 GLU N . 16620 1 303 . 1 1 48 48 PHE H H 1 7.423 0.04 . 1 . . . . . 30 PHE H . 16620 1 304 . 1 1 48 48 PHE HA H 1 4.860 0.04 . 1 . . . . . 30 PHE HA . 16620 1 305 . 1 1 48 48 PHE HB2 H 1 3.614 0.04 . 2 . . . . . 30 PHE HB2 . 16620 1 306 . 1 1 48 48 PHE HB3 H 1 2.621 0.04 . 2 . . . . . 30 PHE HB3 . 16620 1 307 . 1 1 48 48 PHE HD1 H 1 7.260 0.04 . 3 . . . . . 30 PHE HD1 . 16620 1 308 . 1 1 48 48 PHE HD2 H 1 7.260 0.04 . 3 . . . . . 30 PHE HD2 . 16620 1 309 . 1 1 48 48 PHE HE1 H 1 7.164 0.04 . 3 . . . . . 30 PHE HE1 . 16620 1 310 . 1 1 48 48 PHE HE2 H 1 7.164 0.04 . 3 . . . . . 30 PHE HE2 . 16620 1 311 . 1 1 48 48 PHE C C 13 171.980 0.4 . 1 . . . . . 30 PHE C . 16620 1 312 . 1 1 48 48 PHE CA C 13 56.336 0.40 . 1 . . . . . 30 PHE CA . 16620 1 313 . 1 1 48 48 PHE CB C 13 38.132 0.40 . 1 . . . . . 30 PHE CB . 16620 1 314 . 1 1 48 48 PHE CD1 C 13 131.699 0.40 . 1 . . . . . 30 PHE CD1 . 16620 1 315 . 1 1 48 48 PHE CE1 C 13 129.920 0.40 . 1 . . . . . 30 PHE CE1 . 16620 1 316 . 1 1 48 48 PHE N N 15 117.186 0.40 . 1 . . . . . 30 PHE N . 16620 1 317 . 1 1 49 49 CYS H H 1 7.420 0.04 . 1 . . . . . 31 CYS H . 16620 1 318 . 1 1 49 49 CYS HA H 1 4.264 0.04 . 1 . . . . . 31 CYS HA . 16620 1 319 . 1 1 49 49 CYS HB2 H 1 3.297 0.04 . 2 . . . . . 31 CYS HB2 . 16620 1 320 . 1 1 49 49 CYS HB3 H 1 2.386 0.04 . 2 . . . . . 31 CYS HB3 . 16620 1 321 . 1 1 49 49 CYS C C 13 174.436 0.4 . 1 . . . . . 31 CYS C . 16620 1 322 . 1 1 49 49 CYS CA C 13 57.047 0.40 . 1 . . . . . 31 CYS CA . 16620 1 323 . 1 1 49 49 CYS CB C 13 33.492 0.40 . 1 . . . . . 31 CYS CB . 16620 1 324 . 1 1 49 49 CYS N N 15 121.843 0.40 . 1 . . . . . 31 CYS N . 16620 1 325 . 1 1 50 50 ALA H H 1 7.949 0.04 . 1 . . . . . 32 ALA H . 16620 1 326 . 1 1 50 50 ALA HA H 1 2.992 0.04 . 1 . . . . . 32 ALA HA . 16620 1 327 . 1 1 50 50 ALA HB1 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1 328 . 1 1 50 50 ALA HB2 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1 329 . 1 1 50 50 ALA HB3 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1 330 . 1 1 50 50 ALA C C 13 178.762 0.4 . 1 . . . . . 32 ALA C . 16620 1 331 . 1 1 50 50 ALA CA C 13 53.007 0.40 . 1 . . . . . 32 ALA CA . 16620 1 332 . 1 1 50 50 ALA CB C 13 17.007 0.40 . 1 . . . . . 32 ALA CB . 16620 1 333 . 1 1 50 50 ALA N N 15 128.103 0.40 . 1 . . . . . 32 ALA N . 16620 1 334 . 1 1 51 51 SER H H 1 9.507 0.04 . 1 . . . . . 33 SER H . 16620 1 335 . 1 1 51 51 SER HA H 1 4.299 0.04 . 1 . . . . . 33 SER HA . 16620 1 336 . 1 1 51 51 SER HB2 H 1 3.998 0.04 . 2 . . . . . 33 SER HB2 . 16620 1 337 . 1 1 51 51 SER HB3 H 1 3.998 0.04 . 2 . . . . . 33 SER HB3 . 16620 1 338 . 1 1 51 51 SER C C 13 173.399 0.4 . 1 . . . . . 33 SER C . 16620 1 339 . 1 1 51 51 SER CA C 13 60.840 0.40 . 1 . . . . . 33 SER CA . 16620 1 340 . 1 1 51 51 SER CB C 13 63.679 0.40 . 1 . . . . . 33 SER CB . 16620 1 341 . 1 1 51 51 SER N N 15 119.062 0.40 . 1 . . . . . 33 SER N . 16620 1 342 . 1 1 52 52 CYS H H 1 7.978 0.04 . 1 . . . . . 34 CYS H . 16620 1 343 . 1 1 52 52 CYS HA H 1 4.652 0.04 . 1 . . . . . 34 CYS HA . 16620 1 344 . 1 1 52 52 CYS HB2 H 1 2.962 0.04 . 2 . . . . . 34 CYS HB2 . 16620 1 345 . 1 1 52 52 CYS HB3 H 1 2.962 0.04 . 2 . . . . . 34 CYS HB3 . 16620 1 346 . 1 1 52 52 CYS CA C 13 55.835 0.40 . 1 . . . . . 34 CYS CA . 16620 1 347 . 1 1 52 52 CYS CB C 13 27.879 0.40 . 1 . . . . . 34 CYS CB . 16620 1 348 . 1 1 52 52 CYS N N 15 124.589 0.40 . 1 . . . . . 34 CYS N . 16620 1 349 . 1 1 53 53 PRO HA H 1 4.393 0.04 . 1 . . . . . 35 PRO HA . 16620 1 350 . 1 1 53 53 PRO HB2 H 1 2.437 0.04 . 2 . . . . . 35 PRO HB2 . 16620 1 351 . 1 1 53 53 PRO HB3 H 1 1.959 0.04 . 2 . . . . . 35 PRO HB3 . 16620 1 352 . 1 1 53 53 PRO HD2 H 1 4.043 0.04 . 2 . . . . . 35 PRO HD2 . 16620 1 353 . 1 1 53 53 PRO HD3 H 1 4.043 0.04 . 2 . . . . . 35 PRO HD3 . 16620 1 354 . 1 1 53 53 PRO HG2 H 1 2.089 0.04 . 2 . . . . . 35 PRO HG2 . 16620 1 355 . 1 1 53 53 PRO HG3 H 1 2.008 0.04 . 2 . . . . . 35 PRO HG3 . 16620 1 356 . 1 1 53 53 PRO C C 13 177.889 0.4 . 1 . . . . . 35 PRO C . 16620 1 357 . 1 1 53 53 PRO CA C 13 65.180 0.40 . 1 . . . . . 35 PRO CA . 16620 1 358 . 1 1 53 53 PRO CB C 13 32.850 0.40 . 1 . . . . . 35 PRO CB . 16620 1 359 . 1 1 53 53 PRO CD C 13 51.972 0.40 . 1 . . . . . 35 PRO CD . 16620 1 360 . 1 1 53 53 PRO CG C 13 27.647 0.40 . 1 . . . . . 35 PRO CG . 16620 1 361 . 1 1 54 54 THR H H 1 7.507 0.04 . 1 . . . . . 36 THR H . 16620 1 362 . 1 1 54 54 THR HA H 1 4.314 0.04 . 1 . . . . . 36 THR HA . 16620 1 363 . 1 1 54 54 THR HB H 1 4.454 0.04 . 1 . . . . . 36 THR HB . 16620 1 364 . 1 1 54 54 THR HG21 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1 365 . 1 1 54 54 THR HG22 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1 366 . 1 1 54 54 THR HG23 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1 367 . 1 1 54 54 THR C C 13 174.177 0.4 . 1 . . . . . 36 THR C . 16620 1 368 . 1 1 54 54 THR CA C 13 61.195 0.40 . 1 . . . . . 36 THR CA . 16620 1 369 . 1 1 54 54 THR CB C 13 68.101 0.40 . 1 . . . . . 36 THR CB . 16620 1 370 . 1 1 54 54 THR CG2 C 13 21.854 0.40 . 1 . . . . . 36 THR CG2 . 16620 1 371 . 1 1 54 54 THR N N 15 107.002 0.40 . 1 . . . . . 36 THR N . 16620 1 372 . 1 1 55 55 PHE H H 1 7.716 0.04 . 1 . . . . . 37 PHE H . 16620 1 373 . 1 1 55 55 PHE HA H 1 4.204 0.04 . 1 . . . . . 37 PHE HA . 16620 1 374 . 1 1 55 55 PHE HB2 H 1 3.090 0.04 . 2 . . . . . 37 PHE HB2 . 16620 1 375 . 1 1 55 55 PHE HB3 H 1 2.836 0.04 . 2 . . . . . 37 PHE HB3 . 16620 1 376 . 1 1 55 55 PHE HD1 H 1 7.015 0.04 . 3 . . . . . 37 PHE HD1 . 16620 1 377 . 1 1 55 55 PHE HD2 H 1 7.015 0.04 . 3 . . . . . 37 PHE HD2 . 16620 1 378 . 1 1 55 55 PHE HE1 H 1 7.216 0.04 . 3 . . . . . 37 PHE HE1 . 16620 1 379 . 1 1 55 55 PHE HE2 H 1 7.216 0.04 . 3 . . . . . 37 PHE HE2 . 16620 1 380 . 1 1 55 55 PHE C C 13 175.228 0.4 . 1 . . . . . 37 PHE C . 16620 1 381 . 1 1 55 55 PHE CA C 13 58.875 0.40 . 1 . . . . . 37 PHE CA . 16620 1 382 . 1 1 55 55 PHE CB C 13 40.942 0.40 . 1 . . . . . 37 PHE CB . 16620 1 383 . 1 1 55 55 PHE CD1 C 13 132.526 0.40 . 1 . . . . . 37 PHE CD1 . 16620 1 384 . 1 1 55 55 PHE CE1 C 13 130.334 0.40 . 1 . . . . . 37 PHE CE1 . 16620 1 385 . 1 1 55 55 PHE N N 15 124.794 0.40 . 1 . . . . . 37 PHE N . 16620 1 386 . 1 1 56 56 LEU H H 1 7.490 0.04 . 1 . . . . . 38 LEU H . 16620 1 387 . 1 1 56 56 LEU HA H 1 4.310 0.04 . 1 . . . . . 38 LEU HA . 16620 1 388 . 1 1 56 56 LEU HB2 H 1 1.310 0.04 . 2 . . . . . 38 LEU HB2 . 16620 1 389 . 1 1 56 56 LEU HB3 H 1 1.247 0.04 . 2 . . . . . 38 LEU HB3 . 16620 1 390 . 1 1 56 56 LEU HD11 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1 391 . 1 1 56 56 LEU HD12 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1 392 . 1 1 56 56 LEU HD13 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1 393 . 1 1 56 56 LEU HD21 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1 394 . 1 1 56 56 LEU HD22 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1 395 . 1 1 56 56 LEU HD23 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1 396 . 1 1 56 56 LEU HG H 1 1.445 0.04 . 1 . . . . . 38 LEU HG . 16620 1 397 . 1 1 56 56 LEU C C 13 174.300 0.4 . 1 . . . . . 38 LEU C . 16620 1 398 . 1 1 56 56 LEU CA C 13 53.416 0.40 . 1 . . . . . 38 LEU CA . 16620 1 399 . 1 1 56 56 LEU CB C 13 41.386 0.40 . 1 . . . . . 38 LEU CB . 16620 1 400 . 1 1 56 56 LEU CD1 C 13 24.747 0.40 . 1 . . . . . 38 LEU CD1 . 16620 1 401 . 1 1 56 56 LEU CD2 C 13 23.942 0.40 . 1 . . . . . 38 LEU CD2 . 16620 1 402 . 1 1 56 56 LEU CG C 13 26.678 0.40 . 1 . . . . . 38 LEU CG . 16620 1 403 . 1 1 56 56 LEU N N 15 130.713 0.40 . 1 . . . . . 38 LEU N . 16620 1 404 . 1 1 57 57 ARG H H 1 7.930 0.04 . 1 . . . . . 39 ARG H . 16620 1 405 . 1 1 57 57 ARG HA H 1 3.994 0.04 . 1 . . . . . 39 ARG HA . 16620 1 406 . 1 1 57 57 ARG HB2 H 1 1.753 0.04 . 2 . . . . . 39 ARG HB2 . 16620 1 407 . 1 1 57 57 ARG HB3 H 1 1.753 0.04 . 2 . . . . . 39 ARG HB3 . 16620 1 408 . 1 1 57 57 ARG HD2 H 1 3.223 0.04 . 2 . . . . . 39 ARG HD2 . 16620 1 409 . 1 1 57 57 ARG HD3 H 1 3.223 0.04 . 2 . . . . . 39 ARG HD3 . 16620 1 410 . 1 1 57 57 ARG HG2 H 1 1.801 0.04 . 2 . . . . . 39 ARG HG2 . 16620 1 411 . 1 1 57 57 ARG HG3 H 1 1.801 0.04 . 2 . . . . . 39 ARG HG3 . 16620 1 412 . 1 1 57 57 ARG CA C 13 57.374 0.40 . 1 . . . . . 39 ARG CA . 16620 1 413 . 1 1 57 57 ARG CB C 13 30.517 0.40 . 1 . . . . . 39 ARG CB . 16620 1 414 . 1 1 57 57 ARG CD C 13 43.273 0.40 . 1 . . . . . 39 ARG CD . 16620 1 415 . 1 1 57 57 ARG CG C 13 27.333 0.40 . 1 . . . . . 39 ARG CG . 16620 1 416 . 1 1 57 57 ARG N N 15 122.866 0.40 . 1 . . . . . 39 ARG N . 16620 1 417 . 1 1 58 58 MET H H 1 8.408 0.04 . 1 . . . . . 40 MET H . 16620 1 418 . 1 1 58 58 MET HA H 1 4.706 0.04 . 1 . . . . . 40 MET HA . 16620 1 419 . 1 1 58 58 MET HB2 H 1 2.075 0.04 . 2 . . . . . 40 MET HB2 . 16620 1 420 . 1 1 58 58 MET HB3 H 1 1.956 0.04 . 2 . . . . . 40 MET HB3 . 16620 1 421 . 1 1 58 58 MET HG2 H 1 2.611 0.04 . 2 . . . . . 40 MET HG2 . 16620 1 422 . 1 1 58 58 MET HG3 H 1 2.491 0.04 . 2 . . . . . 40 MET HG3 . 16620 1 423 . 1 1 58 58 MET C C 13 175.160 0.4 . 1 . . . . . 40 MET C . 16620 1 424 . 1 1 58 58 MET CA C 13 53.908 0.40 . 1 . . . . . 40 MET CA . 16620 1 425 . 1 1 58 58 MET CB C 13 36.603 0.40 . 1 . . . . . 40 MET CB . 16620 1 426 . 1 1 58 58 MET CG C 13 31.509 0.40 . 1 . . . . . 40 MET CG . 16620 1 427 . 1 1 58 58 MET N N 15 121.024 0.40 . 1 . . . . . 40 MET N . 16620 1 428 . 1 1 59 59 ASP H H 1 8.419 0.04 . 1 . . . . . 41 ASP H . 16620 1 429 . 1 1 59 59 ASP HA H 1 4.588 0.04 . 1 . . . . . 41 ASP HA . 16620 1 430 . 1 1 59 59 ASP HB2 H 1 3.030 0.04 . 2 . . . . . 41 ASP HB2 . 16620 1 431 . 1 1 59 59 ASP HB3 H 1 2.680 0.04 . 2 . . . . . 41 ASP HB3 . 16620 1 432 . 1 1 59 59 ASP CA C 13 53.699 0.40 . 1 . . . . . 41 ASP CA . 16620 1 433 . 1 1 59 59 ASP CB C 13 41.540 0.40 . 1 . . . . . 41 ASP CB . 16620 1 434 . 1 1 59 59 ASP N N 15 120.478 0.40 . 1 . . . . . 41 ASP N . 16620 1 435 . 1 1 60 60 ASN HA H 1 4.317 0.04 . 1 . . . . . 42 ASN HA . 16620 1 436 . 1 1 60 60 ASN HB2 H 1 3.106 0.04 . 2 . . . . . 42 ASN HB2 . 16620 1 437 . 1 1 60 60 ASN HB3 H 1 2.822 0.04 . 2 . . . . . 42 ASN HB3 . 16620 1 438 . 1 1 60 60 ASN HD21 H 1 7.490 0.04 . 1 . . . . . 42 ASN HD21 . 16620 1 439 . 1 1 60 60 ASN HD22 H 1 6.834 0.04 . 2 . . . . . 42 ASN HD22 . 16620 1 440 . 1 1 60 60 ASN C C 13 177.739 0.4 . 1 . . . . . 42 ASN C . 16620 1 441 . 1 1 60 60 ASN CA C 13 56.637 0.40 . 1 . . . . . 42 ASN CA . 16620 1 442 . 1 1 60 60 ASN CB C 13 37.586 0.40 . 1 . . . . . 42 ASN CB . 16620 1 443 . 1 1 60 60 ASN ND2 N 15 110.172 0.04 . 1 . . . . . 42 ASN ND2 . 16620 1 444 . 1 1 61 61 ASN H H 1 8.442 0.04 . 1 . . . . . 43 ASN H . 16620 1 445 . 1 1 61 61 ASN HA H 1 4.450 0.04 . 1 . . . . . 43 ASN HA . 16620 1 446 . 1 1 61 61 ASN HB2 H 1 2.853 0.04 . 2 . . . . . 43 ASN HB2 . 16620 1 447 . 1 1 61 61 ASN HB3 H 1 2.778 0.04 . 2 . . . . . 43 ASN HB3 . 16620 1 448 . 1 1 61 61 ASN C C 13 177.439 0.4 . 1 . . . . . 43 ASN C . 16620 1 449 . 1 1 61 61 ASN CA C 13 56.528 0.40 . 1 . . . . . 43 ASN CA . 16620 1 450 . 1 1 61 61 ASN CB C 13 38.023 0.40 . 1 . . . . . 43 ASN CB . 16620 1 451 . 1 1 61 61 ASN N N 15 118.960 0.40 . 1 . . . . . 43 ASN N . 16620 1 452 . 1 1 62 62 ALA H H 1 8.229 0.04 . 1 . . . . . 44 ALA H . 16620 1 453 . 1 1 62 62 ALA HA H 1 4.102 0.04 . 1 . . . . . 44 ALA HA . 16620 1 454 . 1 1 62 62 ALA HB1 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1 455 . 1 1 62 62 ALA HB2 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1 456 . 1 1 62 62 ALA HB3 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1 457 . 1 1 62 62 ALA C C 13 180.973 0.4 . 1 . . . . . 44 ALA C . 16620 1 458 . 1 1 62 62 ALA CA C 13 54.672 0.40 . 1 . . . . . 44 ALA CA . 16620 1 459 . 1 1 62 62 ALA CB C 13 18.466 0.40 . 1 . . . . . 44 ALA CB . 16620 1 460 . 1 1 62 62 ALA N N 15 123.651 0.40 . 1 . . . . . 44 ALA N . 16620 1 461 . 1 1 63 63 ALA H H 1 8.779 0.04 . 1 . . . . . 45 ALA H . 16620 1 462 . 1 1 63 63 ALA HA H 1 4.238 0.04 . 1 . . . . . 45 ALA HA . 16620 1 463 . 1 1 63 63 ALA HB1 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1 464 . 1 1 63 63 ALA HB2 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1 465 . 1 1 63 63 ALA HB3 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1 466 . 1 1 63 63 ALA C C 13 178.680 0.4 . 1 . . . . . 45 ALA C . 16620 1 467 . 1 1 63 63 ALA CA C 13 54.945 0.40 . 1 . . . . . 45 ALA CA . 16620 1 468 . 1 1 63 63 ALA CB C 13 18.685 0.40 . 1 . . . . . 45 ALA CB . 16620 1 469 . 1 1 63 63 ALA N N 15 121.928 0.40 . 1 . . . . . 45 ALA N . 16620 1 470 . 1 1 64 64 ALA H H 1 8.024 0.04 . 1 . . . . . 46 ALA H . 16620 1 471 . 1 1 64 64 ALA HA H 1 4.109 0.04 . 1 . . . . . 46 ALA HA . 16620 1 472 . 1 1 64 64 ALA HB1 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1 473 . 1 1 64 64 ALA HB2 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1 474 . 1 1 64 64 ALA HB3 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1 475 . 1 1 64 64 ALA C C 13 179.731 0.4 . 1 . . . . . 46 ALA C . 16620 1 476 . 1 1 64 64 ALA CA C 13 55.873 0.40 . 1 . . . . . 46 ALA CA . 16620 1 477 . 1 1 64 64 ALA CB C 13 17.853 0.40 . 1 . . . . . 46 ALA CB . 16620 1 478 . 1 1 64 64 ALA N N 15 121.126 0.40 . 1 . . . . . 46 ALA N . 16620 1 479 . 1 1 65 65 ILE H H 1 7.220 0.04 . 1 . . . . . 47 ILE H . 16620 1 480 . 1 1 65 65 ILE HA H 1 3.740 0.04 . 1 . . . . . 47 ILE HA . 16620 1 481 . 1 1 65 65 ILE HB H 1 1.861 0.04 . 1 . . . . . 47 ILE HB . 16620 1 482 . 1 1 65 65 ILE HD11 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1 483 . 1 1 65 65 ILE HD12 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1 484 . 1 1 65 65 ILE HD13 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1 485 . 1 1 65 65 ILE HG12 H 1 1.639 0.04 . 2 . . . . . 47 ILE HG12 . 16620 1 486 . 1 1 65 65 ILE HG13 H 1 1.151 0.04 . 2 . . . . . 47 ILE HG13 . 16620 1 487 . 1 1 65 65 ILE HG21 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1 488 . 1 1 65 65 ILE HG22 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1 489 . 1 1 65 65 ILE HG23 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1 490 . 1 1 65 65 ILE C C 13 179.049 0.4 . 1 . . . . . 47 ILE C . 16620 1 491 . 1 1 65 65 ILE CA C 13 64.061 0.40 . 1 . . . . . 47 ILE CA . 16620 1 492 . 1 1 65 65 ILE CB C 13 38.528 0.40 . 1 . . . . . 47 ILE CB . 16620 1 493 . 1 1 65 65 ILE CD1 C 13 12.833 0.40 . 1 . . . . . 47 ILE CD1 . 16620 1 494 . 1 1 65 65 ILE CG1 C 13 28.821 0.40 . 1 . . . . . 47 ILE CG1 . 16620 1 495 . 1 1 65 65 ILE CG2 C 13 17.419 0.40 . 1 . . . . . 47 ILE CG2 . 16620 1 496 . 1 1 65 65 ILE N N 15 117.953 0.40 . 1 . . . . . 47 ILE N . 16620 1 497 . 1 1 66 66 LYS H H 1 8.363 0.04 . 1 . . . . . 48 LYS H . 16620 1 498 . 1 1 66 66 LYS HA H 1 4.062 0.04 . 1 . . . . . 48 LYS HA . 16620 1 499 . 1 1 66 66 LYS HB2 H 1 2.034 0.04 . 2 . . . . . 48 LYS HB2 . 16620 1 500 . 1 1 66 66 LYS HB3 H 1 1.813 0.04 . 2 . . . . . 48 LYS HB3 . 16620 1 501 . 1 1 66 66 LYS HD2 H 1 1.681 0.04 . 2 . . . . . 48 LYS HD2 . 16620 1 502 . 1 1 66 66 LYS HD3 H 1 1.638 0.04 . 2 . . . . . 48 LYS HD3 . 16620 1 503 . 1 1 66 66 LYS HE2 H 1 2.851 0.04 . 2 . . . . . 48 LYS HE2 . 16620 1 504 . 1 1 66 66 LYS HE3 H 1 2.603 0.04 . 2 . . . . . 48 LYS HE3 . 16620 1 505 . 1 1 66 66 LYS HG2 H 1 1.380 0.04 . 2 . . . . . 48 LYS HG2 . 16620 1 506 . 1 1 66 66 LYS HG3 H 1 1.380 0.04 . 2 . . . . . 48 LYS HG3 . 16620 1 507 . 1 1 66 66 LYS C C 13 177.739 0.4 . 1 . . . . . 48 LYS C . 16620 1 508 . 1 1 66 66 LYS CA C 13 57.074 0.40 . 1 . . . . . 48 LYS CA . 16620 1 509 . 1 1 66 66 LYS CB C 13 31.472 0.40 . 1 . . . . . 48 LYS CB . 16620 1 510 . 1 1 66 66 LYS CD C 13 28.152 0.40 . 1 . . . . . 48 LYS CD . 16620 1 511 . 1 1 66 66 LYS CE C 13 41.840 0.40 . 1 . . . . . 48 LYS CE . 16620 1 512 . 1 1 66 66 LYS CG C 13 24.713 0.40 . 1 . . . . . 48 LYS CG . 16620 1 513 . 1 1 66 66 LYS N N 15 121.894 0.40 . 1 . . . . . 48 LYS N . 16620 1 514 . 1 1 67 67 ALA H H 1 8.730 0.04 . 1 . . . . . 49 ALA H . 16620 1 515 . 1 1 67 67 ALA HA H 1 3.682 0.04 . 1 . . . . . 49 ALA HA . 16620 1 516 . 1 1 67 67 ALA HB1 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1 517 . 1 1 67 67 ALA HB2 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1 518 . 1 1 67 67 ALA HB3 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1 519 . 1 1 67 67 ALA C C 13 178.339 0.4 . 1 . . . . . 49 ALA C . 16620 1 520 . 1 1 67 67 ALA CA C 13 56.037 0.40 . 1 . . . . . 49 ALA CA . 16620 1 521 . 1 1 67 67 ALA CB C 13 18.126 0.40 . 1 . . . . . 49 ALA CB . 16620 1 522 . 1 1 67 67 ALA N N 15 121.723 0.40 . 1 . . . . . 49 ALA N . 16620 1 523 . 1 1 68 68 LEU H H 1 6.888 0.04 . 1 . . . . . 50 LEU H . 16620 1 524 . 1 1 68 68 LEU HA H 1 4.020 0.04 . 1 . . . . . 50 LEU HA . 16620 1 525 . 1 1 68 68 LEU HB2 H 1 1.785 0.04 . 2 . . . . . 50 LEU HB2 . 16620 1 526 . 1 1 68 68 LEU HB3 H 1 1.740 0.04 . 2 . . . . . 50 LEU HB3 . 16620 1 527 . 1 1 68 68 LEU HD11 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1 528 . 1 1 68 68 LEU HD12 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1 529 . 1 1 68 68 LEU HD13 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1 530 . 1 1 68 68 LEU HD21 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1 531 . 1 1 68 68 LEU HD22 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1 532 . 1 1 68 68 LEU HD23 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1 533 . 1 1 68 68 LEU HG H 1 1.722 0.04 . 1 . . . . . 50 LEU HG . 16620 1 534 . 1 1 68 68 LEU C C 13 178.776 0.4 . 1 . . . . . 50 LEU C . 16620 1 535 . 1 1 68 68 LEU CA C 13 57.892 0.40 . 1 . . . . . 50 LEU CA . 16620 1 536 . 1 1 68 68 LEU CB C 13 41.832 0.40 . 1 . . . . . 50 LEU CB . 16620 1 537 . 1 1 68 68 LEU CD1 C 13 24.692 0.40 . 1 . . . . . 50 LEU CD1 . 16620 1 538 . 1 1 68 68 LEU CD2 C 13 24.542 0.40 . 1 . . . . . 50 LEU CD2 . 16620 1 539 . 1 1 68 68 LEU CG C 13 27.360 0.40 . 1 . . . . . 50 LEU CG . 16620 1 540 . 1 1 68 68 LEU N N 15 115.156 0.40 . 1 . . . . . 50 LEU N . 16620 1 541 . 1 1 69 69 GLU H H 1 7.216 0.04 . 1 . . . . . 51 GLU H . 16620 1 542 . 1 1 69 69 GLU HA H 1 3.836 0.04 . 1 . . . . . 51 GLU HA . 16620 1 543 . 1 1 69 69 GLU HB2 H 1 2.055 0.04 . 2 . . . . . 51 GLU HB2 . 16620 1 544 . 1 1 69 69 GLU HB3 H 1 2.055 0.04 . 2 . . . . . 51 GLU HB3 . 16620 1 545 . 1 1 69 69 GLU HG2 H 1 2.299 0.04 . 2 . . . . . 51 GLU HG2 . 16620 1 546 . 1 1 69 69 GLU HG3 H 1 2.055 0.04 . 2 . . . . . 51 GLU HG3 . 16620 1 547 . 1 1 69 69 GLU C C 13 178.721 0.4 . 1 . . . . . 51 GLU C . 16620 1 548 . 1 1 69 69 GLU CA C 13 59.257 0.40 . 1 . . . . . 51 GLU CA . 16620 1 549 . 1 1 69 69 GLU CB C 13 29.343 0.40 . 1 . . . . . 51 GLU CB . 16620 1 550 . 1 1 69 69 GLU CG C 13 35.959 0.40 . 1 . . . . . 51 GLU CG . 16620 1 551 . 1 1 69 69 GLU N N 15 119.727 0.40 . 1 . . . . . 51 GLU N . 16620 1 552 . 1 1 70 70 LEU H H 1 8.326 0.04 . 1 . . . . . 52 LEU H . 16620 1 553 . 1 1 70 70 LEU HA H 1 3.501 0.04 . 1 . . . . . 52 LEU HA . 16620 1 554 . 1 1 70 70 LEU HB2 H 1 1.079 0.04 . 2 . . . . . 52 LEU HB2 . 16620 1 555 . 1 1 70 70 LEU HB3 H 1 0.454 0.04 . 2 . . . . . 52 LEU HB3 . 16620 1 556 . 1 1 70 70 LEU HD11 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1 557 . 1 1 70 70 LEU HD12 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1 558 . 1 1 70 70 LEU HD13 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1 559 . 1 1 70 70 LEU HD21 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1 560 . 1 1 70 70 LEU HD22 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1 561 . 1 1 70 70 LEU HD23 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1 562 . 1 1 70 70 LEU HG H 1 1.619 0.04 . 1 . . . . . 52 LEU HG . 16620 1 563 . 1 1 70 70 LEU C C 13 178.421 0.4 . 1 . . . . . 52 LEU C . 16620 1 564 . 1 1 70 70 LEU CA C 13 56.814 0.40 . 1 . . . . . 52 LEU CA . 16620 1 565 . 1 1 70 70 LEU CB C 13 39.497 0.40 . 1 . . . . . 52 LEU CB . 16620 1 566 . 1 1 70 70 LEU CD1 C 13 27.463 0.40 . 1 . . . . . 52 LEU CD1 . 16620 1 567 . 1 1 70 70 LEU CD2 C 13 20.817 0.40 . 1 . . . . . 52 LEU CD2 . 16620 1 568 . 1 1 70 70 LEU CG C 13 25.586 0.40 . 1 . . . . . 52 LEU CG . 16620 1 569 . 1 1 70 70 LEU N N 15 117.442 0.40 . 1 . . . . . 52 LEU N . 16620 1 570 . 1 1 71 71 TYR H H 1 7.440 0.04 . 1 . . . . . 53 TYR H . 16620 1 571 . 1 1 71 71 TYR HA H 1 4.010 0.04 . 1 . . . . . 53 TYR HA . 16620 1 572 . 1 1 71 71 TYR HB2 H 1 3.111 0.04 . 2 . . . . . 53 TYR HB2 . 16620 1 573 . 1 1 71 71 TYR HB3 H 1 2.960 0.04 . 2 . . . . . 53 TYR HB3 . 16620 1 574 . 1 1 71 71 TYR HD1 H 1 7.027 0.04 . 3 . . . . . 53 TYR HD1 . 16620 1 575 . 1 1 71 71 TYR HD2 H 1 7.027 0.04 . 3 . . . . . 53 TYR HD2 . 16620 1 576 . 1 1 71 71 TYR HE1 H 1 6.816 0.04 . 3 . . . . . 53 TYR HE1 . 16620 1 577 . 1 1 71 71 TYR HE2 H 1 6.816 0.04 . 3 . . . . . 53 TYR HE2 . 16620 1 578 . 1 1 71 71 TYR C C 13 177.602 0.4 . 1 . . . . . 53 TYR C . 16620 1 579 . 1 1 71 71 TYR CA C 13 60.751 0.40 . 1 . . . . . 53 TYR CA . 16620 1 580 . 1 1 71 71 TYR CB C 13 38.221 0.40 . 1 . . . . . 53 TYR CB . 16620 1 581 . 1 1 71 71 TYR CD1 C 13 133.064 0.40 . 1 . . . . . 53 TYR CD1 . 16620 1 582 . 1 1 71 71 TYR CE1 C 13 118.047 0.40 . 1 . . . . . 53 TYR CE1 . 16620 1 583 . 1 1 71 71 TYR N N 15 118.670 0.40 . 1 . . . . . 53 TYR N . 16620 1 584 . 1 1 72 72 LYS H H 1 7.720 0.04 . 1 . . . . . 54 LYS H . 16620 1 585 . 1 1 72 72 LYS HA H 1 3.543 0.04 . 1 . . . . . 54 LYS HA . 16620 1 586 . 1 1 72 72 LYS HB2 H 1 1.857 0.04 . 2 . . . . . 54 LYS HB2 . 16620 1 587 . 1 1 72 72 LYS HB3 H 1 1.857 0.04 . 2 . . . . . 54 LYS HB3 . 16620 1 588 . 1 1 72 72 LYS HD2 H 1 1.603 0.04 . 2 . . . . . 54 LYS HD2 . 16620 1 589 . 1 1 72 72 LYS HD3 H 1 1.603 0.04 . 2 . . . . . 54 LYS HD3 . 16620 1 590 . 1 1 72 72 LYS HE2 H 1 2.853 0.04 . 2 . . . . . 54 LYS HE2 . 16620 1 591 . 1 1 72 72 LYS HE3 H 1 2.853 0.04 . 2 . . . . . 54 LYS HE3 . 16620 1 592 . 1 1 72 72 LYS HG2 H 1 1.320 0.04 . 2 . . . . . 54 LYS HG2 . 16620 1 593 . 1 1 72 72 LYS HG3 H 1 1.320 0.04 . 2 . . . . . 54 LYS HG3 . 16620 1 594 . 1 1 72 72 LYS C C 13 178.216 0.4 . 1 . . . . . 54 LYS C . 16620 1 595 . 1 1 72 72 LYS CA C 13 59.475 0.40 . 1 . . . . . 54 LYS CA . 16620 1 596 . 1 1 72 72 LYS CB C 13 32.400 0.40 . 1 . . . . . 54 LYS CB . 16620 1 597 . 1 1 72 72 LYS CD C 13 29.244 0.40 . 1 . . . . . 54 LYS CD . 16620 1 598 . 1 1 72 72 LYS CE C 13 42.200 0.40 . 1 . . . . . 54 LYS CE . 16620 1 599 . 1 1 72 72 LYS CG C 13 25.177 0.40 . 1 . . . . . 54 LYS CG . 16620 1 600 . 1 1 72 72 LYS N N 15 120.512 0.40 . 1 . . . . . 54 LYS N . 16620 1 601 . 1 1 73 73 ILE H H 1 7.265 0.04 . 1 . . . . . 55 ILE H . 16620 1 602 . 1 1 73 73 ILE HA H 1 4.327 0.04 . 1 . . . . . 55 ILE HA . 16620 1 603 . 1 1 73 73 ILE HB H 1 2.083 0.04 . 1 . . . . . 55 ILE HB . 16620 1 604 . 1 1 73 73 ILE HD11 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1 605 . 1 1 73 73 ILE HD12 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1 606 . 1 1 73 73 ILE HD13 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1 607 . 1 1 73 73 ILE HG21 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1 608 . 1 1 73 73 ILE HG22 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1 609 . 1 1 73 73 ILE HG23 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1 610 . 1 1 73 73 ILE CA C 13 60.625 0.40 . 1 . . . . . 55 ILE CA . 16620 1 611 . 1 1 73 73 ILE CB C 13 38.244 0.40 . 1 . . . . . 55 ILE CB . 16620 1 612 . 1 1 73 73 ILE CD1 C 13 13.789 0.40 . 1 . . . . . 55 ILE CD1 . 16620 1 613 . 1 1 73 73 ILE CG2 C 13 17.173 0.40 . 1 . . . . . 55 ILE CG2 . 16620 1 614 . 1 1 73 73 ILE N N 15 109.032 0.40 . 1 . . . . . 55 ILE N . 16620 1 615 . 1 1 74 74 ASN HA H 1 4.225 0.04 . 1 . . . . . 56 ASN HA . 16620 1 616 . 1 1 74 74 ASN HB2 H 1 2.995 0.04 . 2 . . . . . 56 ASN HB2 . 16620 1 617 . 1 1 74 74 ASN HB3 H 1 2.515 0.04 . 2 . . . . . 56 ASN HB3 . 16620 1 618 . 1 1 74 74 ASN HD21 H 1 7.385 0.04 . 1 . . . . . 56 ASN HD21 . 16620 1 619 . 1 1 74 74 ASN HD22 H 1 6.643 0.04 . 2 . . . . . 56 ASN HD22 . 16620 1 620 . 1 1 74 74 ASN C C 13 174.532 0.4 . 1 . . . . . 56 ASN C . 16620 1 621 . 1 1 74 74 ASN CA C 13 53.853 0.40 . 1 . . . . . 56 ASN CA . 16620 1 622 . 1 1 74 74 ASN CB C 13 37.027 0.40 . 1 . . . . . 56 ASN CB . 16620 1 623 . 1 1 74 74 ASN ND2 N 15 112.042 0.04 . 1 . . . . . 56 ASN ND2 . 16620 1 624 . 1 1 75 75 ALA H H 1 7.653 0.04 . 1 . . . . . 57 ALA H . 16620 1 625 . 1 1 75 75 ALA HA H 1 4.126 0.04 . 1 . . . . . 57 ALA HA . 16620 1 626 . 1 1 75 75 ALA HB1 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1 627 . 1 1 75 75 ALA HB2 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1 628 . 1 1 75 75 ALA HB3 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1 629 . 1 1 75 75 ALA C C 13 177.848 0.4 . 1 . . . . . 57 ALA C . 16620 1 630 . 1 1 75 75 ALA CA C 13 51.969 0.40 . 1 . . . . . 57 ALA CA . 16620 1 631 . 1 1 75 75 ALA CB C 13 20.500 0.40 . 1 . . . . . 57 ALA CB . 16620 1 632 . 1 1 75 75 ALA N N 15 119.216 0.40 . 1 . . . . . 57 ALA N . 16620 1 633 . 1 1 76 76 LYS H H 1 8.612 0.04 . 1 . . . . . 58 LYS H . 16620 1 634 . 1 1 76 76 LYS HA H 1 3.999 0.04 . 1 . . . . . 58 LYS HA . 16620 1 635 . 1 1 76 76 LYS HB2 H 1 1.823 0.04 . 2 . . . . . 58 LYS HB2 . 16620 1 636 . 1 1 76 76 LYS HB3 H 1 1.823 0.04 . 2 . . . . . 58 LYS HB3 . 16620 1 637 . 1 1 76 76 LYS HD2 H 1 1.553 0.04 . 2 . . . . . 58 LYS HD2 . 16620 1 638 . 1 1 76 76 LYS HD3 H 1 1.553 0.04 . 2 . . . . . 58 LYS HD3 . 16620 1 639 . 1 1 76 76 LYS HE2 H 1 2.945 0.04 . 2 . . . . . 58 LYS HE2 . 16620 1 640 . 1 1 76 76 LYS HE3 H 1 2.945 0.04 . 2 . . . . . 58 LYS HE3 . 16620 1 641 . 1 1 76 76 LYS HG2 H 1 1.314 0.04 . 2 . . . . . 58 LYS HG2 . 16620 1 642 . 1 1 76 76 LYS HG3 H 1 1.184 0.04 . 2 . . . . . 58 LYS HG3 . 16620 1 643 . 1 1 76 76 LYS C C 13 176.142 0.4 . 1 . . . . . 58 LYS C . 16620 1 644 . 1 1 76 76 LYS CA C 13 58.220 0.40 . 1 . . . . . 58 LYS CA . 16620 1 645 . 1 1 76 76 LYS CB C 13 32.673 0.40 . 1 . . . . . 58 LYS CB . 16620 1 646 . 1 1 76 76 LYS CD C 13 29.353 0.40 . 1 . . . . . 58 LYS CD . 16620 1 647 . 1 1 76 76 LYS CE C 13 42.181 0.40 . 1 . . . . . 58 LYS CE . 16620 1 648 . 1 1 76 76 LYS CG C 13 25.136 0.40 . 1 . . . . . 58 LYS CG . 16620 1 649 . 1 1 76 76 LYS N N 15 122.696 0.40 . 1 . . . . . 58 LYS N . 16620 1 650 . 1 1 77 77 LEU H H 1 8.427 0.04 . 1 . . . . . 59 LEU H . 16620 1 651 . 1 1 77 77 LEU HA H 1 4.954 0.04 . 1 . . . . . 59 LEU HA . 16620 1 652 . 1 1 77 77 LEU HB2 H 1 1.335 0.04 . 2 . . . . . 59 LEU HB2 . 16620 1 653 . 1 1 77 77 LEU HB3 H 1 1.242 0.04 . 2 . . . . . 59 LEU HB3 . 16620 1 654 . 1 1 77 77 LEU HD11 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1 655 . 1 1 77 77 LEU HD12 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1 656 . 1 1 77 77 LEU HD13 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1 657 . 1 1 77 77 LEU HD21 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1 658 . 1 1 77 77 LEU HD22 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1 659 . 1 1 77 77 LEU HD23 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1 660 . 1 1 77 77 LEU HG H 1 1.223 0.04 . 1 . . . . . 59 LEU HG . 16620 1 661 . 1 1 77 77 LEU C C 13 177.712 0.4 . 1 . . . . . 59 LEU C . 16620 1 662 . 1 1 77 77 LEU CA C 13 52.843 0.40 . 1 . . . . . 59 LEU CA . 16620 1 663 . 1 1 77 77 LEU CB C 13 43.611 0.40 . 1 . . . . . 59 LEU CB . 16620 1 664 . 1 1 77 77 LEU CD1 C 13 24.788 0.40 . 1 . . . . . 59 LEU CD1 . 16620 1 665 . 1 1 77 77 LEU CD2 C 13 24.447 0.40 . 1 . . . . . 59 LEU CD2 . 16620 1 666 . 1 1 77 77 LEU CG C 13 26.623 0.40 . 1 . . . . . 59 LEU CG . 16620 1 667 . 1 1 77 77 LEU N N 15 129.775 0.40 . 1 . . . . . 59 LEU N . 16620 1 668 . 1 1 78 78 CYS H H 1 8.573 0.04 . 1 . . . . . 60 CYS H . 16620 1 669 . 1 1 78 78 CYS HA H 1 3.938 0.04 . 1 . . . . . 60 CYS HA . 16620 1 670 . 1 1 78 78 CYS HB2 H 1 2.983 0.04 . 2 . . . . . 60 CYS HB2 . 16620 1 671 . 1 1 78 78 CYS HB3 H 1 2.714 0.04 . 2 . . . . . 60 CYS HB3 . 16620 1 672 . 1 1 78 78 CYS C C 13 176.265 0.4 . 1 . . . . . 60 CYS C . 16620 1 673 . 1 1 78 78 CYS CA C 13 61.768 0.40 . 1 . . . . . 60 CYS CA . 16620 1 674 . 1 1 78 78 CYS CB C 13 31.103 0.40 . 1 . . . . . 60 CYS CB . 16620 1 675 . 1 1 78 78 CYS N N 15 126.244 0.40 . 1 . . . . . 60 CYS N . 16620 1 676 . 1 1 79 79 ASP H H 1 8.570 0.04 . 1 . . . . . 61 ASP H . 16620 1 677 . 1 1 79 79 ASP HA H 1 4.765 0.04 . 1 . . . . . 61 ASP HA . 16620 1 678 . 1 1 79 79 ASP HB2 H 1 2.625 0.04 . 2 . . . . . 61 ASP HB2 . 16620 1 679 . 1 1 79 79 ASP HB3 H 1 2.389 0.04 . 2 . . . . . 61 ASP HB3 . 16620 1 680 . 1 1 79 79 ASP CA C 13 52.464 0.40 . 1 . . . . . 61 ASP CA . 16620 1 681 . 1 1 79 79 ASP CB C 13 40.598 0.40 . 1 . . . . . 61 ASP CB . 16620 1 682 . 1 1 79 79 ASP N N 15 123.037 0.40 . 1 . . . . . 61 ASP N . 16620 1 683 . 1 1 80 80 PRO HA H 1 4.351 0.04 . 1 . . . . . 62 PRO HA . 16620 1 684 . 1 1 80 80 PRO HB2 H 1 2.184 0.04 . 2 . . . . . 62 PRO HB2 . 16620 1 685 . 1 1 80 80 PRO HB3 H 1 1.785 0.04 . 2 . . . . . 62 PRO HB3 . 16620 1 686 . 1 1 80 80 PRO HD2 H 1 3.712 0.04 . 2 . . . . . 62 PRO HD2 . 16620 1 687 . 1 1 80 80 PRO HD3 H 1 3.594 0.04 . 2 . . . . . 62 PRO HD3 . 16620 1 688 . 1 1 80 80 PRO HG2 H 1 1.868 0.04 . 2 . . . . . 62 PRO HG2 . 16620 1 689 . 1 1 80 80 PRO HG3 H 1 1.868 0.04 . 2 . . . . . 62 PRO HG3 . 16620 1 690 . 1 1 80 80 PRO C C 13 175.296 0.4 . 1 . . . . . 62 PRO C . 16620 1 691 . 1 1 80 80 PRO CA C 13 63.419 0.40 . 1 . . . . . 62 PRO CA . 16620 1 692 . 1 1 80 80 PRO CB C 13 31.963 0.40 . 1 . . . . . 62 PRO CB . 16620 1 693 . 1 1 80 80 PRO CD C 13 50.383 0.40 . 1 . . . . . 62 PRO CD . 16620 1 694 . 1 1 80 80 PRO CG C 13 27.306 0.40 . 1 . . . . . 62 PRO CG . 16620 1 695 . 1 1 81 81 HIS H H 1 8.283 0.04 . 1 . . . . . 63 HIS H . 16620 1 696 . 1 1 81 81 HIS HA H 1 4.737 0.04 . 1 . . . . . 63 HIS HA . 16620 1 697 . 1 1 81 81 HIS CA C 13 54.272 0.40 . 1 . . . . . 63 HIS CA . 16620 1 698 . 1 1 81 81 HIS N N 15 122.934 0.40 . 1 . . . . . 63 HIS N . 16620 1 699 . 1 1 82 82 PRO HA H 1 4.169 0.04 . 1 . . . . . 64 PRO HA . 16620 1 700 . 1 1 82 82 PRO HB2 H 1 2.119 0.04 . 2 . . . . . 64 PRO HB2 . 16620 1 701 . 1 1 82 82 PRO HB3 H 1 1.810 0.04 . 2 . . . . . 64 PRO HB3 . 16620 1 702 . 1 1 82 82 PRO HD2 H 1 3.576 0.04 . 2 . . . . . 64 PRO HD2 . 16620 1 703 . 1 1 82 82 PRO HD3 H 1 3.183 0.04 . 2 . . . . . 64 PRO HD3 . 16620 1 704 . 1 1 82 82 PRO HG2 H 1 1.819 0.04 . 2 . . . . . 64 PRO HG2 . 16620 1 705 . 1 1 82 82 PRO HG3 H 1 1.819 0.04 . 2 . . . . . 64 PRO HG3 . 16620 1 706 . 1 1 82 82 PRO CA C 13 64.944 0.40 . 1 . . . . . 64 PRO CA . 16620 1 707 . 1 1 82 82 PRO CB C 13 32.123 0.40 . 1 . . . . . 64 PRO CB . 16620 1 708 . 1 1 82 82 PRO CD C 13 50.397 0.40 . 1 . . . . . 64 PRO CD . 16620 1 709 . 1 1 82 82 PRO CG C 13 27.360 0.40 . 1 . . . . . 64 PRO CG . 16620 1 stop_ save_