################################### # 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 17033 _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 '2D 1H-15N HSQC' . . . 17033 1 3 '2D 1H-13C HSQC' . . . 17033 1 5 '2D 1H-13C HSQC' . . . 17033 1 6 '3D CBCA(CO)NH' . . . 17033 1 7 '3D HNCO' . . . 17033 1 8 '3D HNCA' . . . 17033 1 9 '3D HNCACB' . . . 17033 1 10 '3D HBHA(CO)NH' . . . 17033 1 11 '3D C(CO)NH-TOCSY' . . . 17033 1 12 '3D CCH-TOCSY' . . . 17033 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 4 $PINE . . 17033 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 9 9 SER HA H 1 4.310 0.06 . 1 . . . . 9 Ser HA . 17033 1 2 . 1 1 9 9 SER HB2 H 1 3.670 0.06 . 1 . . . . 9 Ser HB2 . 17033 1 3 . 1 1 9 9 SER CA C 13 59.224 0.55 . 1 . . . . 9 Ser CA . 17033 1 4 . 1 1 9 9 SER CB C 13 63.884 0.55 . 1 . . . . 9 Ser CB . 17033 1 5 . 1 1 10 10 HIS H H 1 8.770 0.06 . 1 . . . . 10 His H . 17033 1 6 . 1 1 10 10 HIS HA H 1 4.995 0.06 . 1 . . . . 10 His HA . 17033 1 7 . 1 1 10 10 HIS HB2 H 1 3.228 0.06 . 2 . . . . 10 His HB2 . 17033 1 8 . 1 1 10 10 HIS HB3 H 1 3.228 0.06 . 2 . . . . 10 His HB3 . 17033 1 9 . 1 1 10 10 HIS CA C 13 54.495 0.55 . 1 . . . . 10 His CA . 17033 1 10 . 1 1 10 10 HIS CB C 13 30.327 0.55 . 1 . . . . 10 His CB . 17033 1 11 . 1 1 10 10 HIS N N 15 123.239 0.55 . 1 . . . . 10 His N . 17033 1 12 . 1 1 11 11 MET H H 1 7.861 0.06 . 1 . . . . 11 Met H . 17033 1 13 . 1 1 11 11 MET CA C 13 55.79 0.55 . 1 . . . . 11 Met CA . 17033 1 14 . 1 1 11 11 MET N N 15 120.394 0.55 . 1 . . . . 11 Met N . 17033 1 15 . 1 1 12 12 VAL HA H 1 4.904 0.06 . 1 . . . . 12 Val HA . 17033 1 16 . 1 1 12 12 VAL HB H 1 2.109 0.06 . 1 . . . . 12 Val HB . 17033 1 17 . 1 1 12 12 VAL HG11 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 18 . 1 1 12 12 VAL HG12 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 19 . 1 1 12 12 VAL HG13 H 1 0.911 0.06 . 2 . . . . 12 Val HG1 . 17033 1 20 . 1 1 12 12 VAL HG21 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 21 . 1 1 12 12 VAL HG22 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 22 . 1 1 12 12 VAL HG23 H 1 0.975 0.06 . 2 . . . . 12 Val HG2 . 17033 1 23 . 1 1 12 12 VAL CA C 13 60.411 0.55 . 1 . . . . 12 Val CA . 17033 1 24 . 1 1 12 12 VAL CB C 13 34.556 0.55 . 1 . . . . 12 Val CB . 17033 1 25 . 1 1 12 12 VAL CG1 C 13 22.58 0.55 . 2 . . . . 12 Val CG1 . 17033 1 26 . 1 1 12 12 VAL CG2 C 13 22.37 0.55 . 2 . . . . 12 Val CG2 . 17033 1 27 . 1 1 13 13 VAL H H 1 9.026 0.06 . 1 . . . . 13 Val H . 17033 1 28 . 1 1 13 13 VAL HA H 1 5.06 0.06 . 1 . . . . 13 Val HA . 17033 1 29 . 1 1 13 13 VAL HB H 1 1.769 0.06 . 1 . . . . 13 Val HB . 17033 1 30 . 1 1 13 13 VAL HG11 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 31 . 1 1 13 13 VAL HG12 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 32 . 1 1 13 13 VAL HG13 H 1 0.48 0.06 . 2 . . . . 13 Val HG1 . 17033 1 33 . 1 1 13 13 VAL HG21 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 34 . 1 1 13 13 VAL HG22 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 35 . 1 1 13 13 VAL HG23 H 1 0.788 0.06 . 2 . . . . 13 Val HG2 . 17033 1 36 . 1 1 13 13 VAL CA C 13 58.791 0.55 . 1 . . . . 13 Val CA . 17033 1 37 . 1 1 13 13 VAL CB C 13 35.292 0.55 . 1 . . . . 13 Val CB . 17033 1 38 . 1 1 13 13 VAL CG1 C 13 21.89 0.55 . 2 . . . . 13 Val CG1 . 17033 1 39 . 1 1 13 13 VAL CG2 C 13 20.48 0.55 . 2 . . . . 13 Val CG2 . 17033 1 40 . 1 1 13 13 VAL N N 15 123.517 0.55 . 1 . . . . 13 Val N . 17033 1 41 . 1 1 14 14 ILE H H 1 8.995 0.06 . 1 . . . . 14 Ile H . 17033 1 42 . 1 1 14 14 ILE HA H 1 5.264 0.06 . 1 . . . . 14 Ile HA . 17033 1 43 . 1 1 14 14 ILE HB H 1 1.669 0.06 . 1 . . . . 14 Ile HB . 17033 1 44 . 1 1 14 14 ILE HD11 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 45 . 1 1 14 14 ILE HD12 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 46 . 1 1 14 14 ILE HD13 H 1 0.781 0.06 . 1 . . . . 14 Ile HD1 . 17033 1 47 . 1 1 14 14 ILE HG12 H 1 1.629 0.06 . 2 . . . . 14 Ile HG12 . 17033 1 48 . 1 1 14 14 ILE HG13 H 1 1.008 0.06 . 2 . . . . 14 Ile HG13 . 17033 1 49 . 1 1 14 14 ILE HG21 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 50 . 1 1 14 14 ILE HG22 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 51 . 1 1 14 14 ILE HG23 H 1 0.938 0.06 . 1 . . . . 14 Ile HG2 . 17033 1 52 . 1 1 14 14 ILE CA C 13 59.0 0.55 . 1 . . . . 14 Ile CA . 17033 1 53 . 1 1 14 14 ILE CB C 13 40.39 0.55 . 1 . . . . 14 Ile CB . 17033 1 54 . 1 1 14 14 ILE CD1 C 13 14.8 0.55 . 1 . . . . 14 Ile CD1 . 17033 1 55 . 1 1 14 14 ILE CG1 C 13 28.041 0.55 . 1 . . . . 14 Ile CG1 . 17033 1 56 . 1 1 14 14 ILE CG2 C 13 17.116 0.55 . 1 . . . . 14 Ile CG2 . 17033 1 57 . 1 1 14 14 ILE N N 15 125.765 0.55 . 1 . . . . 14 Ile N . 17033 1 58 . 1 1 15 15 ARG H H 1 9.590 0.06 . 1 . . . . 15 Arg H . 17033 1 59 . 1 1 15 15 ARG N N 15 123.550 0.55 . 1 . . . . 15 Arg N . 17033 1 60 . 1 1 16 16 ARG HA H 1 3.17 0.06 . 1 . . . . 16 Arg HA . 17033 1 61 . 1 1 16 16 ARG HB2 H 1 2.06 0.06 . 2 . . . . 16 Arg HB2 . 17033 1 62 . 1 1 16 16 ARG HB3 H 1 2.06 0.06 . 2 . . . . 16 Arg HB3 . 17033 1 63 . 1 1 16 16 ARG HD2 H 1 2.7 0.06 . 2 . . . . 16 Arg HD2 . 17033 1 64 . 1 1 16 16 ARG HD3 H 1 2.7 0.06 . 2 . . . . 16 Arg HD3 . 17033 1 65 . 1 1 16 16 ARG HG2 H 1 0.98 0.06 . 2 . . . . 16 Arg HG2 . 17033 1 66 . 1 1 16 16 ARG HG3 H 1 0.98 0.06 . 2 . . . . 16 Arg HG3 . 17033 1 67 . 1 1 16 16 ARG CA C 13 57.06 0.55 . 1 . . . . 16 Arg CA . 17033 1 68 . 1 1 16 16 ARG CB C 13 28.5 0.55 . 1 . . . . 16 Arg CB . 17033 1 69 . 1 1 16 16 ARG CD C 13 43.39 0.55 . 1 . . . . 16 Arg CD . 17033 1 70 . 1 1 16 16 ARG CG C 13 28.5 0.55 . 1 . . . . 16 Arg CG . 17033 1 71 . 1 1 17 17 LEU H H 1 7.47 0.06 . 1 . . . . 17 Leu H . 17033 1 72 . 1 1 17 17 LEU HA H 1 4.41 0.06 . 1 . . . . 17 Leu HA . 17033 1 73 . 1 1 17 17 LEU HB2 H 1 1.67 0.06 . 2 . . . . 17 Leu HB2 . 17033 1 74 . 1 1 17 17 LEU HB3 H 1 1.67 0.06 . 2 . . . . 17 Leu HB3 . 17033 1 75 . 1 1 17 17 LEU HD11 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 76 . 1 1 17 17 LEU HD12 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 77 . 1 1 17 17 LEU HD13 H 1 0.043 0.06 . 2 . . . . 17 Leu HD1 . 17033 1 78 . 1 1 17 17 LEU HD21 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 79 . 1 1 17 17 LEU HD22 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 80 . 1 1 17 17 LEU HD23 H 1 0.043 0.06 . 2 . . . . 17 Leu HD2 . 17033 1 81 . 1 1 17 17 LEU HG H 1 0.45 0.06 . 1 . . . . 17 Leu HG . 17033 1 82 . 1 1 17 17 LEU CA C 13 52.59 0.55 . 1 . . . . 17 Leu CA . 17033 1 83 . 1 1 17 17 LEU CB C 13 40.4 0.55 . 1 . . . . 17 Leu CB . 17033 1 84 . 1 1 17 17 LEU CD1 C 13 22.05 0.55 . 2 . . . . 17 Leu CD1 . 17033 1 85 . 1 1 17 17 LEU CD2 C 13 22.05 0.55 . 2 . . . . 17 Leu CD2 . 17033 1 86 . 1 1 17 17 LEU CG C 13 26.2 0.55 . 1 . . . . 17 Leu CG . 17033 1 87 . 1 1 17 17 LEU N N 15 116 0.55 . 1 . . . . 17 Leu N . 17033 1 88 . 1 1 19 19 PRO HA H 1 4.247 0.06 . 1 . . . . 19 Pro HA . 17033 1 89 . 1 1 19 19 PRO HB2 H 1 1.92 0.06 . 2 . . . . 19 Pro HB2 . 17033 1 90 . 1 1 19 19 PRO HB3 H 1 1.92 0.06 . 2 . . . . 19 Pro HB3 . 17033 1 91 . 1 1 19 19 PRO CA C 13 63.866 0.55 . 1 . . . . 19 Pro CA . 17033 1 92 . 1 1 19 19 PRO CB C 13 31.461 0.55 . 1 . . . . 19 Pro CB . 17033 1 93 . 1 1 20 20 GLY H H 1 8.696 0.06 . 1 . . . . 20 Gly H . 17033 1 94 . 1 1 20 20 GLY HA2 H 1 4.094 0.06 . 2 . . . . 20 Gly HA2 . 17033 1 95 . 1 1 20 20 GLY HA3 H 1 3.734 0.06 . 2 . . . . 20 Gly HA3 . 17033 1 96 . 1 1 20 20 GLY CA C 13 44.908 0.55 . 1 . . . . 20 Gly CA . 17033 1 97 . 1 1 20 20 GLY N N 15 108.382 0.55 . 1 . . . . 20 Gly N . 17033 1 98 . 1 1 21 21 LEU H H 1 6.830 0.06 . 1 . . . . 21 Leu H . 17033 1 99 . 1 1 21 21 LEU HA H 1 4.315 0.06 . 1 . . . . 21 Leu HA . 17033 1 100 . 1 1 21 21 LEU HB2 H 1 1.683 0.06 . 2 . . . . 21 Leu HB2 . 17033 1 101 . 1 1 21 21 LEU HB3 H 1 1.389 0.06 . 2 . . . . 21 Leu HB3 . 17033 1 102 . 1 1 21 21 LEU HD11 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 103 . 1 1 21 21 LEU HD12 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 104 . 1 1 21 21 LEU HD13 H 1 0.937 0.06 . 2 . . . . 21 Leu HD1 . 17033 1 105 . 1 1 21 21 LEU HD21 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 106 . 1 1 21 21 LEU HD22 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 107 . 1 1 21 21 LEU HD23 H 1 0.937 0.06 . 2 . . . . 21 Leu HD2 . 17033 1 108 . 1 1 21 21 LEU HG H 1 0.724 0.06 . 1 . . . . 21 Leu HG . 17033 1 109 . 1 1 21 21 LEU CA C 13 55.24 0.55 . 1 . . . . 21 Leu CA . 17033 1 110 . 1 1 21 21 LEU CB C 13 44.150 0.55 . 1 . . . . 21 Leu CB . 17033 1 111 . 1 1 21 21 LEU CD1 C 13 25.190 0.55 . 2 . . . . 21 Leu CD1 . 17033 1 112 . 1 1 21 21 LEU CD2 C 13 25.19 0.55 . 2 . . . . 21 Leu CD2 . 17033 1 113 . 1 1 21 21 LEU CG C 13 28.1 0.55 . 1 . . . . 21 Leu CG . 17033 1 114 . 1 1 21 21 LEU N N 15 122.077 0.55 . 1 . . . . 21 Leu N . 17033 1 115 . 1 1 22 22 THR H H 1 7.352 0.06 . 1 . . . . 22 Thr H . 17033 1 116 . 1 1 22 22 THR HA H 1 4.433 0.06 . 1 . . . . 22 Thr HA . 17033 1 117 . 1 1 22 22 THR HB H 1 4.433 0.06 . 1 . . . . 22 Thr HB . 17033 1 118 . 1 1 22 22 THR CA C 13 58.892 0.55 . 1 . . . . 22 Thr CA . 17033 1 119 . 1 1 22 22 THR CB C 13 71.894 0.55 . 1 . . . . 22 Thr CB . 17033 1 120 . 1 1 22 22 THR N N 15 111.530 0.55 . 1 . . . . 22 Thr N . 17033 1 121 . 1 1 23 23 LYS H H 1 8.396 0.06 . 1 . . . . 23 Lys H . 17033 1 122 . 1 1 23 23 LYS HA H 1 2.707 0.06 . 1 . . . . 23 Lys HA . 17033 1 123 . 1 1 23 23 LYS HB2 H 1 1.44 0.06 . 2 . . . . 23 Lys HB2 . 17033 1 124 . 1 1 23 23 LYS HB3 H 1 1.44 0.06 . 2 . . . . 23 Lys HB3 . 17033 1 125 . 1 1 23 23 LYS HD2 H 1 1.392 0.06 . 2 . . . . 23 Lys HD2 . 17033 1 126 . 1 1 23 23 LYS HD3 H 1 1.392 0.06 . 2 . . . . 23 Lys HD3 . 17033 1 127 . 1 1 23 23 LYS HE2 H 1 2.184 0.06 . 2 . . . . 23 Lys HE2 . 17033 1 128 . 1 1 23 23 LYS HE3 H 1 2.012 0.06 . 2 . . . . 23 Lys HE3 . 17033 1 129 . 1 1 23 23 LYS HG2 H 1 1.1 0.06 . 2 . . . . 23 Lys HG2 . 17033 1 130 . 1 1 23 23 LYS HG3 H 1 0.652 0.06 . 2 . . . . 23 Lys HG3 . 17033 1 131 . 1 1 23 23 LYS CA C 13 60.071 0.55 . 1 . . . . 23 Lys CA . 17033 1 132 . 1 1 23 23 LYS CB C 13 32.504 0.55 . 1 . . . . 23 Lys CB . 17033 1 133 . 1 1 23 23 LYS CD C 13 29.722 0.55 . 1 . . . . 23 Lys CD . 17033 1 134 . 1 1 23 23 LYS CE C 13 41.58 0.55 . 1 . . . . 23 Lys CE . 17033 1 135 . 1 1 23 23 LYS CG C 13 25.205 0.55 . 1 . . . . 23 Lys CG . 17033 1 136 . 1 1 23 23 LYS N N 15 122.145 0.55 . 1 . . . . 23 Lys N . 17033 1 137 . 1 1 24 24 GLU H H 1 8.519 0.06 . 1 . . . . 24 Glu H . 17033 1 138 . 1 1 24 24 GLU HA H 1 3.974 0.06 . 1 . . . . 24 Glu HA . 17033 1 139 . 1 1 24 24 GLU HB2 H 1 1.947 0.06 . 2 . . . . 24 Glu HB2 . 17033 1 140 . 1 1 24 24 GLU HB3 H 1 1.844 0.06 . 2 . . . . 24 Glu HB3 . 17033 1 141 . 1 1 24 24 GLU HG2 H 1 2.387 0.06 . 2 . . . . 24 Glu HG2 . 17033 1 142 . 1 1 24 24 GLU HG3 H 1 2.182 0.06 . 2 . . . . 24 Glu HG3 . 17033 1 143 . 1 1 24 24 GLU CA C 13 60.273 0.55 . 1 . . . . 24 Glu CA . 17033 1 144 . 1 1 24 24 GLU CB C 13 28.758 0.55 . 1 . . . . 24 Glu CB . 17033 1 145 . 1 1 24 24 GLU CG C 13 37.38 0.55 . 1 . . . . 24 Glu CG . 17033 1 146 . 1 1 24 24 GLU N N 15 116.344 0.55 . 1 . . . . 24 Glu N . 17033 1 147 . 1 1 25 25 GLN H H 1 7.489 0.06 . 1 . . . . 25 Gln H . 17033 1 148 . 1 1 25 25 GLN HA H 1 4.09 0.06 . 1 . . . . 25 Gln HA . 17033 1 149 . 1 1 25 25 GLN HB2 H 1 2.17 0.06 . 2 . . . . 25 Gln HB2 . 17033 1 150 . 1 1 25 25 GLN HB3 H 1 1.925 0.06 . 2 . . . . 25 Gln HB3 . 17033 1 151 . 1 1 25 25 GLN HE21 H 1 7.43 0.06 . 2 . . . . 25 Gln HE21 . 17033 1 152 . 1 1 25 25 GLN HE22 H 1 6.7 0.06 . 2 . . . . 25 Gln HE22 . 17033 1 153 . 1 1 25 25 GLN HG2 H 1 2.4 0.06 . 2 . . . . 25 Gln HG2 . 17033 1 154 . 1 1 25 25 GLN HG3 H 1 2.4 0.06 . 2 . . . . 25 Gln HG3 . 17033 1 155 . 1 1 25 25 GLN CA C 13 58.200 0.55 . 1 . . . . 25 Gln CA . 17033 1 156 . 1 1 25 25 GLN CB C 13 29.3 0.55 . 1 . . . . 25 Gln CB . 17033 1 157 . 1 1 25 25 GLN CG C 13 34.45 0.55 . 1 . . . . 25 Gln CG . 17033 1 158 . 1 1 25 25 GLN N N 15 119.290 0.55 . 1 . . . . 25 Gln N . 17033 1 159 . 1 1 25 25 GLN NE2 N 15 110.2 0.55 . 1 . . . . 25 Gln NE2 . 17033 1 160 . 1 1 26 26 LEU H H 1 8.113 0.06 . 1 . . . . 26 Leu H . 17033 1 161 . 1 1 26 26 LEU HA H 1 4.045 0.06 . 1 . . . . 26 Leu HA . 17033 1 162 . 1 1 26 26 LEU HB2 H 1 1.977 0.06 . 2 . . . . 26 Leu HB2 . 17033 1 163 . 1 1 26 26 LEU HB3 H 1 1.196 0.06 . 2 . . . . 26 Leu HB3 . 17033 1 164 . 1 1 26 26 LEU HD11 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 165 . 1 1 26 26 LEU HD12 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 166 . 1 1 26 26 LEU HD13 H 1 0.75 0.06 . 2 . . . . 26 Leu HD1 . 17033 1 167 . 1 1 26 26 LEU HD21 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 168 . 1 1 26 26 LEU HD22 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 169 . 1 1 26 26 LEU HD23 H 1 0.75 0.06 . 2 . . . . 26 Leu HD2 . 17033 1 170 . 1 1 26 26 LEU HG H 1 0.858 0.06 . 1 . . . . 26 Leu HG . 17033 1 171 . 1 1 26 26 LEU CA C 13 58.14 0.55 . 1 . . . . 26 Leu CA . 17033 1 172 . 1 1 26 26 LEU CB C 13 40.706 0.55 . 1 . . . . 26 Leu CB . 17033 1 173 . 1 1 26 26 LEU CD1 C 13 23.82 0.55 . 2 . . . . 26 Leu CD1 . 17033 1 174 . 1 1 26 26 LEU CD2 C 13 23.82 0.55 . 2 . . . . 26 Leu CD2 . 17033 1 175 . 1 1 26 26 LEU CG C 13 27.57 0.55 . 1 . . . . 26 Leu CG . 17033 1 176 . 1 1 26 26 LEU N N 15 120.572 0.55 . 1 . . . . 26 Leu N . 17033 1 177 . 1 1 27 27 GLU H H 1 8.730 0.06 . 1 . . . . 27 Glu H . 17033 1 178 . 1 1 27 27 GLU HA H 1 3.516 0.06 . 1 . . . . 27 Glu HA . 17033 1 179 . 1 1 27 27 GLU HB2 H 1 2.033 0.06 . 2 . . . . 27 Glu HB2 . 17033 1 180 . 1 1 27 27 GLU HB3 H 1 2.033 0.06 . 2 . . . . 27 Glu HB3 . 17033 1 181 . 1 1 27 27 GLU HG2 H 1 2.29 0.06 . 2 . . . . 27 Glu HG2 . 17033 1 182 . 1 1 27 27 GLU HG3 H 1 2.027 0.06 . 2 . . . . 27 Glu HG3 . 17033 1 183 . 1 1 27 27 GLU CA C 13 60.984 0.55 . 1 . . . . 27 Glu CA . 17033 1 184 . 1 1 27 27 GLU CB C 13 29.548 0.55 . 1 . . . . 27 Glu CB . 17033 1 185 . 1 1 27 27 GLU CG C 13 37.140 0.55 . 1 . . . . 27 Glu CG . 17033 1 186 . 1 1 27 27 GLU N N 15 118.183 0.55 . 1 . . . . 27 Glu N . 17033 1 187 . 1 1 28 28 GLU H H 1 7.550 0.06 . 1 . . . . 28 Glu H . 17033 1 188 . 1 1 28 28 GLU HA H 1 3.92 0.06 . 1 . . . . 28 Glu HA . 17033 1 189 . 1 1 28 28 GLU HB2 H 1 2.151 0.06 . 2 . . . . 28 Glu HB2 . 17033 1 190 . 1 1 28 28 GLU HB3 H 1 2.08 0.06 . 2 . . . . 28 Glu HB3 . 17033 1 191 . 1 1 28 28 GLU HG2 H 1 2.325 0.06 . 2 . . . . 28 Glu HG2 . 17033 1 192 . 1 1 28 28 GLU HG3 H 1 2.277 0.06 . 2 . . . . 28 Glu HG3 . 17033 1 193 . 1 1 28 28 GLU CA C 13 59.278 0.55 . 1 . . . . 28 Glu CA . 17033 1 194 . 1 1 28 28 GLU CB C 13 29.55 0.55 . 1 . . . . 28 Glu CB . 17033 1 195 . 1 1 28 28 GLU CG C 13 35.944 0.55 . 1 . . . . 28 Glu CG . 17033 1 196 . 1 1 28 28 GLU N N 15 115.918 0.55 . 1 . . . . 28 Glu N . 17033 1 197 . 1 1 29 29 GLN H H 1 7.481 0.06 . 1 . . . . 29 Gln H . 17033 1 198 . 1 1 29 29 GLN HA H 1 4.208 0.06 . 1 . . . . 29 Gln HA . 17033 1 199 . 1 1 29 29 GLN HB2 H 1 2.203 0.06 . 2 . . . . 29 Gln HB2 . 17033 1 200 . 1 1 29 29 GLN HB3 H 1 2.133 0.06 . 2 . . . . 29 Gln HB3 . 17033 1 201 . 1 1 29 29 GLN HE21 H 1 7.56 0.06 . 2 . . . . 29 Gln HE21 . 17033 1 202 . 1 1 29 29 GLN HE22 H 1 7.12 0.06 . 2 . . . . 29 Gln HE22 . 17033 1 203 . 1 1 29 29 GLN HG2 H 1 2.598 0.06 . 2 . . . . 29 Gln HG2 . 17033 1 204 . 1 1 29 29 GLN HG3 H 1 2.521 0.06 . 2 . . . . 29 Gln HG3 . 17033 1 205 . 1 1 29 29 GLN CA C 13 57.584 0.55 . 1 . . . . 29 Gln CA . 17033 1 206 . 1 1 29 29 GLN CB C 13 29.587 0.55 . 1 . . . . 29 Gln CB . 17033 1 207 . 1 1 29 29 GLN CG C 13 34.484 0.55 . 1 . . . . 29 Gln CG . 17033 1 208 . 1 1 29 29 GLN N N 15 115.680 0.55 . 1 . . . . 29 Gln N . 17033 1 209 . 1 1 29 29 GLN NE2 N 15 112.9 0.55 . 1 . . . . 29 Gln NE2 . 17033 1 210 . 1 1 30 30 LEU H H 1 7.594 0.06 . 1 . . . . 30 Leu H . 17033 1 211 . 1 1 30 30 LEU HA H 1 4.139 0.06 . 1 . . . . 30 Leu HA . 17033 1 212 . 1 1 30 30 LEU HB2 H 1 1.481 0.06 . 2 . . . . 30 Leu HB2 . 17033 1 213 . 1 1 30 30 LEU HB3 H 1 1.326 0.06 . 2 . . . . 30 Leu HB3 . 17033 1 214 . 1 1 30 30 LEU HD11 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 215 . 1 1 30 30 LEU HD12 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 216 . 1 1 30 30 LEU HD13 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD1 . 17033 1 217 . 1 1 30 30 LEU HD21 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 218 . 1 1 30 30 LEU HD22 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 219 . 1 1 30 30 LEU HD23 H 1 -0.23 0.06 . 2 . . . . 30 Leu HD2 . 17033 1 220 . 1 1 30 30 LEU HG H 1 0.488 0.06 . 1 . . . . 30 Leu HG . 17033 1 221 . 1 1 30 30 LEU CA C 13 54.75 0.55 . 1 . . . . 30 Leu CA . 17033 1 222 . 1 1 30 30 LEU CB C 13 42.377 0.55 . 1 . . . . 30 Leu CB . 17033 1 223 . 1 1 30 30 LEU CD1 C 13 20.582 0.55 . 2 . . . . 30 Leu CD1 . 17033 1 224 . 1 1 30 30 LEU CD2 C 13 20.582 0.55 . 2 . . . . 30 Leu CD2 . 17033 1 225 . 1 1 30 30 LEU CG C 13 25.89 0.55 . 1 . . . . 30 Leu CG . 17033 1 226 . 1 1 30 30 LEU N N 15 116.083 0.55 . 1 . . . . 30 Leu N . 17033 1 227 . 1 1 31 31 ARG H H 1 7.117 0.06 . 1 . . . . 31 Arg H . 17033 1 228 . 1 1 31 31 ARG HA H 1 4.241 0.06 . 1 . . . . 31 Arg HA . 17033 1 229 . 1 1 31 31 ARG HB2 H 1 1.938 0.06 . 2 . . . . 31 Arg HB2 . 17033 1 230 . 1 1 31 31 ARG HB3 H 1 1.78 0.06 . 2 . . . . 31 Arg HB3 . 17033 1 231 . 1 1 31 31 ARG HD2 H 1 3.211 0.06 . 2 . . . . 31 Arg HD2 . 17033 1 232 . 1 1 31 31 ARG HD3 H 1 3.18 0.06 . 2 . . . . 31 Arg HD3 . 17033 1 233 . 1 1 31 31 ARG HG2 H 1 1.85 0.06 . 2 . . . . 31 Arg HG2 . 17033 1 234 . 1 1 31 31 ARG HG3 H 1 1.649 0.06 . 2 . . . . 31 Arg HG3 . 17033 1 235 . 1 1 31 31 ARG CA C 13 55.36 0.55 . 1 . . . . 31 Arg CA . 17033 1 236 . 1 1 31 31 ARG CB C 13 30.422 0.55 . 1 . . . . 31 Arg CB . 17033 1 237 . 1 1 31 31 ARG CD C 13 43.9 0.55 . 1 . . . . 31 Arg CD . 17033 1 238 . 1 1 31 31 ARG CG C 13 26.5 0.55 . 1 . . . . 31 Arg CG . 17033 1 239 . 1 1 31 31 ARG N N 15 117.111 0.55 . 1 . . . . 31 Arg N . 17033 1 240 . 1 1 32 32 PRO HA H 1 4.64 0.06 . 1 . . . . 32 Pro HA . 17033 1 241 . 1 1 32 32 PRO HB2 H 1 2.27 0.06 . 2 . . . . 32 Pro HB2 . 17033 1 242 . 1 1 32 32 PRO HB3 H 1 2.027 0.06 . 2 . . . . 32 Pro HB3 . 17033 1 243 . 1 1 32 32 PRO HD2 H 1 3.669 0.06 . 2 . . . . 32 Pro HD2 . 17033 1 244 . 1 1 32 32 PRO HD3 H 1 3.566 0.06 . 2 . . . . 32 Pro HD3 . 17033 1 245 . 1 1 32 32 PRO HG2 H 1 2.162 0.06 . 2 . . . . 32 Pro HG2 . 17033 1 246 . 1 1 32 32 PRO HG3 H 1 1.961 0.06 . 2 . . . . 32 Pro HG3 . 17033 1 247 . 1 1 32 32 PRO CA C 13 61.886 0.55 . 1 . . . . 32 Pro CA . 17033 1 248 . 1 1 32 32 PRO CB C 13 33.350 0.55 . 1 . . . . 32 Pro CB . 17033 1 249 . 1 1 32 32 PRO CD C 13 50.27 0.55 . 1 . . . . 32 Pro CD . 17033 1 250 . 1 1 32 32 PRO CG C 13 24.662 0.55 . 1 . . . . 32 Pro CG . 17033 1 251 . 1 1 33 33 LEU H H 1 9.155 0.06 . 1 . . . . 33 Leu H . 17033 1 252 . 1 1 33 33 LEU HA H 1 4.75 0.06 . 1 . . . . 33 Leu HA . 17033 1 253 . 1 1 33 33 LEU HB2 H 1 1.66 0.06 . 2 . . . . 33 Leu HB2 . 17033 1 254 . 1 1 33 33 LEU HB3 H 1 1.532 0.06 . 2 . . . . 33 Leu HB3 . 17033 1 255 . 1 1 33 33 LEU HD11 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 256 . 1 1 33 33 LEU HD12 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 257 . 1 1 33 33 LEU HD13 H 1 0.570 0.06 . 2 . . . . 33 Leu HD1 . 17033 1 258 . 1 1 33 33 LEU HD21 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 259 . 1 1 33 33 LEU HD22 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 260 . 1 1 33 33 LEU HD23 H 1 0.533 0.06 . 2 . . . . 33 Leu HD2 . 17033 1 261 . 1 1 33 33 LEU HG H 1 1.59 0.06 . 1 . . . . 33 Leu HG . 17033 1 262 . 1 1 33 33 LEU CA C 13 53.250 0.55 . 1 . . . . 33 Leu CA . 17033 1 263 . 1 1 33 33 LEU CB C 13 43.314 0.55 . 1 . . . . 33 Leu CB . 17033 1 264 . 1 1 33 33 LEU CD1 C 13 25.7 0.55 . 2 . . . . 33 Leu CD1 . 17033 1 265 . 1 1 33 33 LEU CD2 C 13 25.6 0.55 . 2 . . . . 33 Leu CD2 . 17033 1 266 . 1 1 33 33 LEU CG C 13 27.27 0.55 . 1 . . . . 33 Leu CG . 17033 1 267 . 1 1 33 33 LEU N N 15 129.31 0.55 . 1 . . . . 33 Leu N . 17033 1 268 . 1 1 34 34 PRO HA H 1 4.512 0.06 . 1 . . . . 34 Pro HA . 17033 1 269 . 1 1 34 34 PRO HB2 H 1 2.392 0.06 . 2 . . . . 34 Pro HB2 . 17033 1 270 . 1 1 34 34 PRO HB3 H 1 1.65 0.06 . 2 . . . . 34 Pro HB3 . 17033 1 271 . 1 1 34 34 PRO HD2 H 1 4.249 0.06 . 2 . . . . 34 Pro HD2 . 17033 1 272 . 1 1 34 34 PRO HD3 H 1 3.409 0.06 . 2 . . . . 34 Pro HD3 . 17033 1 273 . 1 1 34 34 PRO HG2 H 1 1.99 0.06 . 2 . . . . 34 Pro HG2 . 17033 1 274 . 1 1 34 34 PRO HG3 H 1 1.99 0.06 . 2 . . . . 34 Pro HG3 . 17033 1 275 . 1 1 34 34 PRO CA C 13 62.030 0.55 . 1 . . . . 34 Pro CA . 17033 1 276 . 1 1 34 34 PRO CB C 13 32.045 0.55 . 1 . . . . 34 Pro CB . 17033 1 277 . 1 1 34 34 PRO CD C 13 50.88 0.55 . 1 . . . . 34 Pro CD . 17033 1 278 . 1 1 34 34 PRO CG C 13 27.61 0.55 . 1 . . . . 34 Pro CG . 17033 1 279 . 1 1 35 35 ALA H H 1 8.643 0.06 . 1 . . . . 35 Ala H . 17033 1 280 . 1 1 35 35 ALA HA H 1 4.25 0.06 . 1 . . . . 35 Ala HA . 17033 1 281 . 1 1 35 35 ALA HB1 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 282 . 1 1 35 35 ALA HB2 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 283 . 1 1 35 35 ALA HB3 H 1 1.409 0.06 . 1 . . . . 35 Ala HB . 17033 1 284 . 1 1 35 35 ALA CA C 13 53.37 0.55 . 1 . . . . 35 Ala CA . 17033 1 285 . 1 1 35 35 ALA CB C 13 18.61 0.55 . 1 . . . . 35 Ala CB . 17033 1 286 . 1 1 35 35 ALA N N 15 122.4 0.55 . 1 . . . . 35 Ala N . 17033 1 287 . 1 1 36 36 HIS H H 1 8.412 0.06 . 1 . . . . 36 His H . 17033 1 288 . 1 1 36 36 HIS HA H 1 5.251 0.06 . 1 . . . . 36 His HA . 17033 1 289 . 1 1 36 36 HIS HB2 H 1 3.0 0.06 . 2 . . . . 36 His HB2 . 17033 1 290 . 1 1 36 36 HIS HB3 H 1 2.686 0.06 . 2 . . . . 36 His HB3 . 17033 1 291 . 1 1 36 36 HIS CA C 13 55.757 0.55 . 1 . . . . 36 His CA . 17033 1 292 . 1 1 36 36 HIS CB C 13 32.24 0.55 . 1 . . . . 36 His CB . 17033 1 293 . 1 1 36 36 HIS N N 15 119.5 0.55 . 1 . . . . 36 His N . 17033 1 294 . 1 1 37 37 ASP H H 1 8.544 0.06 . 1 . . . . 37 Asp H . 17033 1 295 . 1 1 37 37 ASP HA H 1 4.798 0.06 . 1 . . . . 37 Asp HA . 17033 1 296 . 1 1 37 37 ASP HB2 H 1 2.98 0.06 . 2 . . . . 37 Asp HB2 . 17033 1 297 . 1 1 37 37 ASP HB3 H 1 2.421 0.06 . 2 . . . . 37 Asp HB3 . 17033 1 298 . 1 1 37 37 ASP CA C 13 52.850 0.55 . 1 . . . . 37 Asp CA . 17033 1 299 . 1 1 37 37 ASP CB C 13 41.642 0.55 . 1 . . . . 37 Asp CB . 17033 1 300 . 1 1 37 37 ASP N N 15 117.480 0.55 . 1 . . . . 37 Asp N . 17033 1 301 . 1 1 38 38 TYR H H 1 7.485 0.06 . 1 . . . . 38 Tyr H . 17033 1 302 . 1 1 38 38 TYR HA H 1 4.652 0.06 . 1 . . . . 38 Tyr HA . 17033 1 303 . 1 1 38 38 TYR HB2 H 1 3.16 0.06 . 2 . . . . 38 Tyr HB2 . 17033 1 304 . 1 1 38 38 TYR HB3 H 1 2.482 0.06 . 2 . . . . 38 Tyr HB3 . 17033 1 305 . 1 1 38 38 TYR HD1 H 1 6.86 0.06 . 3 . . . . 38 Tyr HD1 . 17033 1 306 . 1 1 38 38 TYR HD2 H 1 6.86 0.06 . 3 . . . . 38 Tyr HD2 . 17033 1 307 . 1 1 38 38 TYR CA C 13 58.249 0.55 . 1 . . . . 38 Tyr CA . 17033 1 308 . 1 1 38 38 TYR CB C 13 41.45 0.55 . 1 . . . . 38 Tyr CB . 17033 1 309 . 1 1 38 38 TYR CD1 C 13 132.93 0.55 . 3 . . . . 38 Tyr CD1 . 17033 1 310 . 1 1 38 38 TYR CD2 C 13 132.93 0.55 . 3 . . . . 38 Tyr CD2 . 17033 1 311 . 1 1 38 38 TYR N N 15 120.448 0.55 . 1 . . . . 38 Tyr N . 17033 1 312 . 1 1 39 39 PHE H H 1 8.473 0.06 . 1 . . . . 39 Phe H . 17033 1 313 . 1 1 39 39 PHE HA H 1 5.347 0.06 . 1 . . . . 39 Phe HA . 17033 1 314 . 1 1 39 39 PHE HB2 H 1 2.862 0.06 . 2 . . . . 39 Phe HB2 . 17033 1 315 . 1 1 39 39 PHE HB3 H 1 2.862 0.06 . 2 . . . . 39 Phe HB3 . 17033 1 316 . 1 1 39 39 PHE HD1 H 1 7.08 0.06 . 3 . . . . 39 Phe HD1 . 17033 1 317 . 1 1 39 39 PHE HD2 H 1 7.08 0.06 . 3 . . . . 39 Phe HD2 . 17033 1 318 . 1 1 39 39 PHE HE1 H 1 6.86 0.06 . 3 . . . . 39 Phe HE1 . 17033 1 319 . 1 1 39 39 PHE HE2 H 1 6.86 0.06 . 3 . . . . 39 Phe HE2 . 17033 1 320 . 1 1 39 39 PHE CA C 13 54.855 0.55 . 1 . . . . 39 Phe CA . 17033 1 321 . 1 1 39 39 PHE CB C 13 39.688 0.55 . 1 . . . . 39 Phe CB . 17033 1 322 . 1 1 39 39 PHE CD1 C 13 133.0 0.55 . 3 . . . . 39 Phe CD1 . 17033 1 323 . 1 1 39 39 PHE CD2 C 13 133.0 0.55 . 3 . . . . 39 Phe CD2 . 17033 1 324 . 1 1 39 39 PHE CE1 C 13 130.89 0.55 . 3 . . . . 39 Phe CE1 . 17033 1 325 . 1 1 39 39 PHE CE2 C 13 130.89 0.55 . 3 . . . . 39 Phe CE2 . 17033 1 326 . 1 1 39 39 PHE N N 15 129.771 0.55 . 1 . . . . 39 Phe N . 17033 1 327 . 1 1 40 40 GLU H H 1 8.682 0.06 . 1 . . . . 40 Glu H . 17033 1 328 . 1 1 40 40 GLU HA H 1 4.336 0.06 . 1 . . . . 40 Glu HA . 17033 1 329 . 1 1 40 40 GLU HB2 H 1 1.76 0.06 . 2 . . . . 40 Glu HB2 . 17033 1 330 . 1 1 40 40 GLU HB3 H 1 1.52 0.06 . 2 . . . . 40 Glu HB3 . 17033 1 331 . 1 1 40 40 GLU HG2 H 1 1.917 0.06 . 2 . . . . 40 Glu HG2 . 17033 1 332 . 1 1 40 40 GLU HG3 H 1 1.519 0.06 . 2 . . . . 40 Glu HG3 . 17033 1 333 . 1 1 40 40 GLU CA C 13 54.632 0.55 . 1 . . . . 40 Glu CA . 17033 1 334 . 1 1 40 40 GLU CB C 13 33.3 0.55 . 1 . . . . 40 Glu CB . 17033 1 335 . 1 1 40 40 GLU CG C 13 36.28 0.55 . 1 . . . . 40 Glu CG . 17033 1 336 . 1 1 40 40 GLU N N 15 127.701 0.55 . 1 . . . . 40 Glu N . 17033 1 337 . 1 1 41 41 PHE H H 1 8.6 0.06 . 1 . . . . 41 Phe H . 17033 1 338 . 1 1 41 41 PHE HA H 1 4.783 0.06 . 1 . . . . 41 Phe HA . 17033 1 339 . 1 1 41 41 PHE HB2 H 1 2.8 0.06 . 2 . . . . 41 Phe HB2 . 17033 1 340 . 1 1 41 41 PHE HB3 H 1 2.445 0.06 . 2 . . . . 41 Phe HB3 . 17033 1 341 . 1 1 41 41 PHE HD1 H 1 6.86 0.06 . 3 . . . . 41 Phe HD1 . 17033 1 342 . 1 1 41 41 PHE HD2 H 1 6.876 0.06 . 3 . . . . 41 Phe HD2 . 17033 1 343 . 1 1 41 41 PHE HE1 H 1 6.912 0.06 . 3 . . . . 41 Phe HE1 . 17033 1 344 . 1 1 41 41 PHE HE2 H 1 6.912 0.06 . 3 . . . . 41 Phe HE2 . 17033 1 345 . 1 1 41 41 PHE CA C 13 56.683 0.55 . 1 . . . . 41 Phe CA . 17033 1 346 . 1 1 41 41 PHE CB C 13 43.22 0.55 . 1 . . . . 41 Phe CB . 17033 1 347 . 1 1 41 41 PHE CD1 C 13 132.94 0.55 . 3 . . . . 41 Phe CD1 . 17033 1 348 . 1 1 41 41 PHE CD2 C 13 132.94 0.55 . 3 . . . . 41 Phe CD2 . 17033 1 349 . 1 1 41 41 PHE CE1 C 13 130.94 0.55 . 3 . . . . 41 Phe CE1 . 17033 1 350 . 1 1 41 41 PHE CE2 C 13 130.94 0.55 . 3 . . . . 41 Phe CE2 . 17033 1 351 . 1 1 41 41 PHE N N 15 125.93 0.55 . 1 . . . . 41 Phe N . 17033 1 352 . 1 1 42 42 PHE H H 1 8.692 0.06 . 1 . . . . 42 Phe H . 17033 1 353 . 1 1 42 42 PHE HA H 1 4.419 0.06 . 1 . . . . 42 Phe HA . 17033 1 354 . 1 1 42 42 PHE HB2 H 1 2.581 0.06 . 2 . . . . 42 Phe HB2 . 17033 1 355 . 1 1 42 42 PHE HB3 H 1 2.581 0.06 . 2 . . . . 42 Phe HB3 . 17033 1 356 . 1 1 42 42 PHE HD1 H 1 7.078 0.06 . 3 . . . . 42 Phe HD1 . 17033 1 357 . 1 1 42 42 PHE HD2 H 1 7.078 0.06 . 3 . . . . 42 Phe HD2 . 17033 1 358 . 1 1 42 42 PHE CA C 13 56.73 0.55 . 1 . . . . 42 Phe CA . 17033 1 359 . 1 1 42 42 PHE CB C 13 40.426 0.55 . 1 . . . . 42 Phe CB . 17033 1 360 . 1 1 42 42 PHE CD1 C 13 131.256 0.55 . 3 . . . . 42 Phe CD1 . 17033 1 361 . 1 1 42 42 PHE CD2 C 13 131.256 0.55 . 3 . . . . 42 Phe CD2 . 17033 1 362 . 1 1 42 42 PHE N N 15 128.068 0.55 . 1 . . . . 42 Phe N . 17033 1 363 . 1 1 43 43 ALA H H 1 8.114 0.06 . 1 . . . . 43 Ala H . 17033 1 364 . 1 1 43 43 ALA HA H 1 4.124 0.06 . 1 . . . . 43 Ala HA . 17033 1 365 . 1 1 43 43 ALA HB1 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 366 . 1 1 43 43 ALA HB2 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 367 . 1 1 43 43 ALA HB3 H 1 1.474 0.06 . 1 . . . . 43 Ala HB . 17033 1 368 . 1 1 43 43 ALA CA C 13 51.75 0.55 . 1 . . . . 43 Ala CA . 17033 1 369 . 1 1 43 43 ALA CB C 13 19.82 0.55 . 1 . . . . 43 Ala CB . 17033 1 370 . 1 1 43 43 ALA N N 15 125.320 0.55 . 1 . . . . 43 Ala N . 17033 1 371 . 1 1 44 44 ALA H H 1 7.909 0.06 . 1 . . . . 44 Ala H . 17033 1 372 . 1 1 44 44 ALA N N 15 121.865 0.55 . 1 . . . . 44 Ala N . 17033 1 373 . 1 1 46 46 LEU HA H 1 4.375 0.06 . 1 . . . . 46 Leu HA . 17033 1 374 . 1 1 46 46 LEU HB2 H 1 1.835 0.06 . 2 . . . . 46 Leu HB2 . 17033 1 375 . 1 1 46 46 LEU HB3 H 1 1.835 0.06 . 2 . . . . 46 Leu HB3 . 17033 1 376 . 1 1 46 46 LEU HD11 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 377 . 1 1 46 46 LEU HD12 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 378 . 1 1 46 46 LEU HD13 H 1 0.964 0.06 . 2 . . . . 46 Leu HD1 . 17033 1 379 . 1 1 46 46 LEU HD21 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 380 . 1 1 46 46 LEU HD22 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 381 . 1 1 46 46 LEU HD23 H 1 0.964 0.06 . 2 . . . . 46 Leu HD2 . 17033 1 382 . 1 1 46 46 LEU HG H 1 1.602 0.06 . 1 . . . . 46 Leu HG . 17033 1 383 . 1 1 46 46 LEU CA C 13 55.946 0.55 . 1 . . . . 46 Leu CA . 17033 1 384 . 1 1 46 46 LEU CB C 13 41.630 0.55 . 1 . . . . 46 Leu CB . 17033 1 385 . 1 1 46 46 LEU CD1 C 13 24.64 0.55 . 2 . . . . 46 Leu CD1 . 17033 1 386 . 1 1 46 46 LEU CD2 C 13 24.64 0.55 . 2 . . . . 46 Leu CD2 . 17033 1 387 . 1 1 46 46 LEU CG C 13 27.7 0.55 . 1 . . . . 46 Leu CG . 17033 1 388 . 1 1 47 47 SER H H 1 8.238 0.06 . 1 . . . . 47 Ser H . 17033 1 389 . 1 1 47 47 SER CA C 13 59.879 0.55 . 1 . . . . 47 Ser CA . 17033 1 390 . 1 1 47 47 SER N N 15 114.63 0.55 . 1 . . . . 47 Ser N . 17033 1 391 . 1 1 53 53 TYR HA H 1 5.08 0.06 . 1 . . . . 53 Tyr HA . 17033 1 392 . 1 1 53 53 TYR HB2 H 1 3.47 0.06 . 2 . . . . 53 Tyr HB2 . 17033 1 393 . 1 1 53 53 TYR HB3 H 1 3.7 0.06 . 2 . . . . 53 Tyr HB3 . 17033 1 394 . 1 1 53 53 TYR HE1 H 1 6.84 0.06 . 3 . . . . 53 Tyr HE1 . 17033 1 395 . 1 1 53 53 TYR HE2 H 1 6.84 0.06 . 3 . . . . 53 Tyr HE2 . 17033 1 396 . 1 1 53 53 TYR CA C 13 56.4 0.55 . 1 . . . . 53 Tyr CA . 17033 1 397 . 1 1 53 53 TYR CB C 13 43.8 0.55 . 1 . . . . 53 Tyr CB . 17033 1 398 . 1 1 53 53 TYR CE1 C 13 118.4 0.55 . 3 . . . . 53 Tyr CE1 . 17033 1 399 . 1 1 53 53 TYR CE2 C 13 118.4 0.55 . 3 . . . . 53 Tyr CE2 . 17033 1 400 . 1 1 54 54 SER H H 1 8.17 0.06 . 1 . . . . 54 Ser H . 17033 1 401 . 1 1 54 54 SER HA H 1 4.622 0.06 . 1 . . . . 54 Ser HA . 17033 1 402 . 1 1 54 54 SER CA C 13 57.909 0.55 . 1 . . . . 54 Ser CA . 17033 1 403 . 1 1 54 54 SER N N 15 117.6 0.55 . 1 . . . . 54 Ser N . 17033 1 404 . 1 1 55 55 ARG H H 1 8.115 0.06 . 1 . . . . 55 Arg H . 17033 1 405 . 1 1 55 55 ARG HA H 1 5.157 0.06 . 1 . . . . 55 Arg HA . 17033 1 406 . 1 1 55 55 ARG HB2 H 1 1.89 0.06 . 2 . . . . 55 Arg HB2 . 17033 1 407 . 1 1 55 55 ARG HB3 H 1 1.89 0.06 . 2 . . . . 55 Arg HB3 . 17033 1 408 . 1 1 55 55 ARG HD2 H 1 2.911 0.06 . 2 . . . . 55 Arg HD2 . 17033 1 409 . 1 1 55 55 ARG HD3 H 1 2.911 0.06 . 2 . . . . 55 Arg HD3 . 17033 1 410 . 1 1 55 55 ARG CA C 13 55.048 0.55 . 1 . . . . 55 Arg CA . 17033 1 411 . 1 1 55 55 ARG CB C 13 33.9 0.55 . 1 . . . . 55 Arg CB . 17033 1 412 . 1 1 55 55 ARG CD C 13 44.07 0.55 . 1 . . . . 55 Arg CD . 17033 1 413 . 1 1 55 55 ARG CG C 13 25.58 0.55 . 1 . . . . 55 Arg CG . 17033 1 414 . 1 1 55 55 ARG N N 15 115.104 0.55 . 1 . . . . 55 Arg N . 17033 1 415 . 1 1 56 56 ALA H H 1 9.044 0.06 . 1 . . . . 56 Ala H . 17033 1 416 . 1 1 56 56 ALA HA H 1 5.355 0.06 . 1 . . . . 56 Ala HA . 17033 1 417 . 1 1 56 56 ALA HB1 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 418 . 1 1 56 56 ALA HB2 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 419 . 1 1 56 56 ALA HB3 H 1 1.253 0.06 . 1 . . . . 56 Ala HB . 17033 1 420 . 1 1 56 56 ALA CA C 13 50.696 0.55 . 1 . . . . 56 Ala CA . 17033 1 421 . 1 1 56 56 ALA CB C 13 24.231 0.55 . 1 . . . . 56 Ala CB . 17033 1 422 . 1 1 56 56 ALA N N 15 120.189 0.55 . 1 . . . . 56 Ala N . 17033 1 423 . 1 1 57 57 TYR H H 1 8.807 0.06 . 1 . . . . 57 Tyr H . 17033 1 424 . 1 1 57 57 TYR HA H 1 5.528 0.06 . 1 . . . . 57 Tyr HA . 17033 1 425 . 1 1 57 57 TYR HB2 H 1 3.42 0.06 . 2 . . . . 57 Tyr HB2 . 17033 1 426 . 1 1 57 57 TYR HB3 H 1 2.87 0.06 . 2 . . . . 57 Tyr HB3 . 17033 1 427 . 1 1 57 57 TYR HD1 H 1 7.11 0.06 . 3 . . . . 57 Tyr HD1 . 17033 1 428 . 1 1 57 57 TYR HD2 H 1 7.11 0.06 . 3 . . . . 57 Tyr HD2 . 17033 1 429 . 1 1 57 57 TYR HE1 H 1 6.47 0.06 . 3 . . . . 57 Tyr HE1 . 17033 1 430 . 1 1 57 57 TYR HE2 H 1 6.47 0.06 . 3 . . . . 57 Tyr HE2 . 17033 1 431 . 1 1 57 57 TYR CA C 13 56.032 0.55 . 1 . . . . 57 Tyr CA . 17033 1 432 . 1 1 57 57 TYR CB C 13 42.403 0.55 . 1 . . . . 57 Tyr CB . 17033 1 433 . 1 1 57 57 TYR CD1 C 13 132.95 0.55 . 3 . . . . 57 Tyr CD1 . 17033 1 434 . 1 1 57 57 TYR CD2 C 13 132.95 0.55 . 3 . . . . 57 Tyr CD2 . 17033 1 435 . 1 1 57 57 TYR CE1 C 13 118.08 0.55 . 3 . . . . 57 Tyr CE1 . 17033 1 436 . 1 1 57 57 TYR CE2 C 13 118.08 0.55 . 3 . . . . 57 Tyr CE2 . 17033 1 437 . 1 1 57 57 TYR N N 15 118.807 0.55 . 1 . . . . 57 Tyr N . 17033 1 438 . 1 1 58 58 ILE H H 1 8.754 0.06 . 1 . . . . 58 Ile H . 17033 1 439 . 1 1 58 58 ILE HA H 1 4.760 0.06 . 1 . . . . 58 Ile HA . 17033 1 440 . 1 1 58 58 ILE HB H 1 0.841 0.06 . 1 . . . . 58 Ile HB . 17033 1 441 . 1 1 58 58 ILE HD11 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 442 . 1 1 58 58 ILE HD12 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 443 . 1 1 58 58 ILE HD13 H 1 -0.123 0.06 . 1 . . . . 58 Ile HD1 . 17033 1 444 . 1 1 58 58 ILE HG12 H 1 1.017 0.06 . 2 . . . . 58 Ile HG12 . 17033 1 445 . 1 1 58 58 ILE HG13 H 1 0.049 0.06 . 2 . . . . 58 Ile HG13 . 17033 1 446 . 1 1 58 58 ILE HG21 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 447 . 1 1 58 58 ILE HG22 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 448 . 1 1 58 58 ILE HG23 H 1 -0.198 0.06 . 1 . . . . 58 Ile HG2 . 17033 1 449 . 1 1 58 58 ILE CA C 13 59.932 0.55 . 1 . . . . 58 Ile CA . 17033 1 450 . 1 1 58 58 ILE CB C 13 42.307 0.55 . 1 . . . . 58 Ile CB . 17033 1 451 . 1 1 58 58 ILE CD1 C 13 14.28 0.55 . 1 . . . . 58 Ile CD1 . 17033 1 452 . 1 1 58 58 ILE CG1 C 13 27.297 0.55 . 1 . . . . 58 Ile CG1 . 17033 1 453 . 1 1 58 58 ILE CG2 C 13 16.71 0.55 . 1 . . . . 58 Ile CG2 . 17033 1 454 . 1 1 58 58 ILE N N 15 119.742 0.55 . 1 . . . . 58 Ile N . 17033 1 455 . 1 1 59 59 ASN H H 1 8.569 0.06 . 1 . . . . 59 Asn H . 17033 1 456 . 1 1 59 59 ASN HA H 1 5.305 0.06 . 1 . . . . 59 Asn HA . 17033 1 457 . 1 1 59 59 ASN HB2 H 1 3.228 0.06 . 2 . . . . 59 Asn HB2 . 17033 1 458 . 1 1 59 59 ASN HB3 H 1 2.101 0.06 . 2 . . . . 59 Asn HB3 . 17033 1 459 . 1 1 59 59 ASN HD21 H 1 7.47 0.06 . 2 . . . . 59 Asn HD21 . 17033 1 460 . 1 1 59 59 ASN HD22 H 1 6.77 0.06 . 2 . . . . 59 Asn HD22 . 17033 1 461 . 1 1 59 59 ASN CA C 13 52.495 0.55 . 1 . . . . 59 Asn CA . 17033 1 462 . 1 1 59 59 ASN CB C 13 42.139 0.55 . 1 . . . . 59 Asn CB . 17033 1 463 . 1 1 59 59 ASN N N 15 125.611 0.55 . 1 . . . . 59 Asn N . 17033 1 464 . 1 1 59 59 ASN ND2 N 15 112.6 0.55 . 1 . . . . 59 Asn ND2 . 17033 1 465 . 1 1 60 60 PHE H H 1 8.362 0.06 . 1 . . . . 60 Phe H . 17033 1 466 . 1 1 60 60 PHE HA H 1 4.726 0.06 . 1 . . . . 60 Phe HA . 17033 1 467 . 1 1 60 60 PHE HB2 H 1 2.662 0.06 . 2 . . . . 60 Phe HB2 . 17033 1 468 . 1 1 60 60 PHE HB3 H 1 2.662 0.06 . 2 . . . . 60 Phe HB3 . 17033 1 469 . 1 1 60 60 PHE HD1 H 1 7.276 0.06 . 3 . . . . 60 Phe HD1 . 17033 1 470 . 1 1 60 60 PHE HD2 H 1 7.276 0.06 . 3 . . . . 60 Phe HD2 . 17033 1 471 . 1 1 60 60 PHE HE1 H 1 6.651 0.06 . 3 . . . . 60 Phe HE1 . 17033 1 472 . 1 1 60 60 PHE HE2 H 1 6.651 0.06 . 3 . . . . 60 Phe HE2 . 17033 1 473 . 1 1 60 60 PHE CA C 13 58.909 0.55 . 1 . . . . 60 Phe CA . 17033 1 474 . 1 1 60 60 PHE CB C 13 39.7 0.55 . 1 . . . . 60 Phe CB . 17033 1 475 . 1 1 60 60 PHE CD1 C 13 131.25 0.55 . 3 . . . . 60 Phe CD1 . 17033 1 476 . 1 1 60 60 PHE CD2 C 13 131.25 0.55 . 3 . . . . 60 Phe CD2 . 17033 1 477 . 1 1 60 60 PHE CE1 C 13 130.73 0.55 . 3 . . . . 60 Phe CE1 . 17033 1 478 . 1 1 60 60 PHE CE2 C 13 130.73 0.55 . 3 . . . . 60 Phe CE2 . 17033 1 479 . 1 1 60 60 PHE N N 15 124.936 0.55 . 1 . . . . 60 Phe N . 17033 1 480 . 1 1 61 61 ARG H H 1 7.959 0.06 . 1 . . . . 61 Arg H . 17033 1 481 . 1 1 61 61 ARG HA H 1 4.234 0.06 . 1 . . . . 61 Arg HA . 17033 1 482 . 1 1 61 61 ARG HB2 H 1 1.843 0.06 . 2 . . . . 61 Arg HB2 . 17033 1 483 . 1 1 61 61 ARG HB3 H 1 1.547 0.06 . 2 . . . . 61 Arg HB3 . 17033 1 484 . 1 1 61 61 ARG HD2 H 1 3.145 0.06 . 2 . . . . 61 Arg HD2 . 17033 1 485 . 1 1 61 61 ARG HD3 H 1 3.074 0.06 . 2 . . . . 61 Arg HD3 . 17033 1 486 . 1 1 61 61 ARG HG2 H 1 1.458 0.06 . 2 . . . . 61 Arg HG2 . 17033 1 487 . 1 1 61 61 ARG HG3 H 1 1.458 0.06 . 2 . . . . 61 Arg HG3 . 17033 1 488 . 1 1 61 61 ARG CA C 13 58.175 0.55 . 1 . . . . 61 Arg CA . 17033 1 489 . 1 1 61 61 ARG CB C 13 30.535 0.55 . 1 . . . . 61 Arg CB . 17033 1 490 . 1 1 61 61 ARG CD C 13 42.776 0.55 . 1 . . . . 61 Arg CD . 17033 1 491 . 1 1 61 61 ARG CG C 13 27.78 0.55 . 1 . . . . 61 Arg CG . 17033 1 492 . 1 1 61 61 ARG N N 15 118.956 0.55 . 1 . . . . 61 Arg N . 17033 1 493 . 1 1 62 62 ASN H H 1 9.219 0.06 . 1 . . . . 62 Asn H . 17033 1 494 . 1 1 62 62 ASN HA H 1 5.154 0.06 . 1 . . . . 62 Asn HA . 17033 1 495 . 1 1 62 62 ASN HB2 H 1 3.157 0.06 . 2 . . . . 62 Asn HB2 . 17033 1 496 . 1 1 62 62 ASN HB3 H 1 2.737 0.06 . 2 . . . . 62 Asn HB3 . 17033 1 497 . 1 1 62 62 ASN HD21 H 1 7.52 0.06 . 2 . . . . 62 Asn HD21 . 17033 1 498 . 1 1 62 62 ASN HD22 H 1 7.12 0.06 . 2 . . . . 62 Asn HD22 . 17033 1 499 . 1 1 62 62 ASN CA C 13 49.332 0.55 . 1 . . . . 62 Asn CA . 17033 1 500 . 1 1 62 62 ASN CB C 13 39.421 0.55 . 1 . . . . 62 Asn CB . 17033 1 501 . 1 1 62 62 ASN N N 15 118.223 0.55 . 1 . . . . 62 Asn N . 17033 1 502 . 1 1 62 62 ASN ND2 N 15 113.0 0.55 . 1 . . . . 62 Asn ND2 . 17033 1 503 . 1 1 63 63 PRO HA H 1 3.901 0.06 . 1 . . . . 63 Pro HA . 17033 1 504 . 1 1 63 63 PRO HB2 H 1 1.864 0.06 . 2 . . . . 63 Pro HB2 . 17033 1 505 . 1 1 63 63 PRO HB3 H 1 1.864 0.06 . 2 . . . . 63 Pro HB3 . 17033 1 506 . 1 1 63 63 PRO HD2 H 1 3.918 0.06 . 2 . . . . 63 Pro HD2 . 17033 1 507 . 1 1 63 63 PRO HD3 H 1 3.562 0.06 . 2 . . . . 63 Pro HD3 . 17033 1 508 . 1 1 63 63 PRO HG2 H 1 1.877 0.06 . 2 . . . . 63 Pro HG2 . 17033 1 509 . 1 1 63 63 PRO HG3 H 1 1.668 0.06 . 2 . . . . 63 Pro HG3 . 17033 1 510 . 1 1 63 63 PRO CA C 13 64.844 0.55 . 1 . . . . 63 Pro CA . 17033 1 511 . 1 1 63 63 PRO CB C 13 31.599 0.55 . 1 . . . . 63 Pro CB . 17033 1 512 . 1 1 63 63 PRO CD C 13 50.95 0.55 . 1 . . . . 63 Pro CD . 17033 1 513 . 1 1 63 63 PRO CG C 13 27.230 0.55 . 1 . . . . 63 Pro CG . 17033 1 514 . 1 1 64 64 ASP H H 1 8.227 0.06 . 1 . . . . 64 Asp H . 17033 1 515 . 1 1 64 64 ASP HA H 1 4.332 0.06 . 1 . . . . 64 Asp HA . 17033 1 516 . 1 1 64 64 ASP HB2 H 1 2.639 0.06 . 2 . . . . 64 Asp HB2 . 17033 1 517 . 1 1 64 64 ASP HB3 H 1 2.432 0.06 . 2 . . . . 64 Asp HB3 . 17033 1 518 . 1 1 64 64 ASP CA C 13 57.06 0.55 . 1 . . . . 64 Asp CA . 17033 1 519 . 1 1 64 64 ASP CB C 13 39.862 0.55 . 1 . . . . 64 Asp CB . 17033 1 520 . 1 1 64 64 ASP N N 15 118.118 0.55 . 1 . . . . 64 Asp N . 17033 1 521 . 1 1 65 65 ASP H H 1 7.791 0.06 . 1 . . . . 65 Asp H . 17033 1 522 . 1 1 65 65 ASP HA H 1 4.498 0.06 . 1 . . . . 65 Asp HA . 17033 1 523 . 1 1 65 65 ASP HB2 H 1 2.806 0.06 . 2 . . . . 65 Asp HB2 . 17033 1 524 . 1 1 65 65 ASP HB3 H 1 2.084 0.06 . 2 . . . . 65 Asp HB3 . 17033 1 525 . 1 1 65 65 ASP CA C 13 56.729 0.55 . 1 . . . . 65 Asp CA . 17033 1 526 . 1 1 65 65 ASP CB C 13 40.517 0.55 . 1 . . . . 65 Asp CB . 17033 1 527 . 1 1 65 65 ASP N N 15 117.848 0.55 . 1 . . . . 65 Asp N . 17033 1 528 . 1 1 66 66 ILE H H 1 7.308 0.06 . 1 . . . . 66 Ile H . 17033 1 529 . 1 1 66 66 ILE HA H 1 3.271 0.06 . 1 . . . . 66 Ile HA . 17033 1 530 . 1 1 66 66 ILE HB H 1 1.774 0.06 . 1 . . . . 66 Ile HB . 17033 1 531 . 1 1 66 66 ILE HD11 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 532 . 1 1 66 66 ILE HD12 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 533 . 1 1 66 66 ILE HD13 H 1 0.780 0.06 . 1 . . . . 66 Ile HD1 . 17033 1 534 . 1 1 66 66 ILE HG12 H 1 1.482 0.06 . 2 . . . . 66 Ile HG12 . 17033 1 535 . 1 1 66 66 ILE HG13 H 1 0.791 0.06 . 2 . . . . 66 Ile HG13 . 17033 1 536 . 1 1 66 66 ILE HG21 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 537 . 1 1 66 66 ILE HG22 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 538 . 1 1 66 66 ILE HG23 H 1 0.565 0.06 . 1 . . . . 66 Ile HG2 . 17033 1 539 . 1 1 66 66 ILE CA C 13 66.061 0.55 . 1 . . . . 66 Ile CA . 17033 1 540 . 1 1 66 66 ILE CB C 13 37.744 0.55 . 1 . . . . 66 Ile CB . 17033 1 541 . 1 1 66 66 ILE CD1 C 13 14.21 0.55 . 1 . . . . 66 Ile CD1 . 17033 1 542 . 1 1 66 66 ILE CG1 C 13 29.190 0.55 . 1 . . . . 66 Ile CG1 . 17033 1 543 . 1 1 66 66 ILE CG2 C 13 16.96 0.55 . 1 . . . . 66 Ile CG2 . 17033 1 544 . 1 1 66 66 ILE N N 15 119.036 0.55 . 1 . . . . 66 Ile N . 17033 1 545 . 1 1 67 67 LEU H H 1 7.135 0.06 . 1 . . . . 67 Leu H . 17033 1 546 . 1 1 67 67 LEU HA H 1 3.995 0.06 . 1 . . . . 67 Leu HA . 17033 1 547 . 1 1 67 67 LEU HB2 H 1 1.754 0.06 . 2 . . . . 67 Leu HB2 . 17033 1 548 . 1 1 67 67 LEU HB3 H 1 1.651 0.06 . 2 . . . . 67 Leu HB3 . 17033 1 549 . 1 1 67 67 LEU HD11 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 550 . 1 1 67 67 LEU HD12 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 551 . 1 1 67 67 LEU HD13 H 1 0.937 0.06 . 2 . . . . 67 Leu HD1 . 17033 1 552 . 1 1 67 67 LEU HD21 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 553 . 1 1 67 67 LEU HD22 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 554 . 1 1 67 67 LEU HD23 H 1 0.857 0.06 . 2 . . . . 67 Leu HD2 . 17033 1 555 . 1 1 67 67 LEU HG H 1 1.676 0.06 . 1 . . . . 67 Leu HG . 17033 1 556 . 1 1 67 67 LEU CA C 13 57.955 0.55 . 1 . . . . 67 Leu CA . 17033 1 557 . 1 1 67 67 LEU CB C 13 40.98 0.55 . 1 . . . . 67 Leu CB . 17033 1 558 . 1 1 67 67 LEU CD1 C 13 25.03 0.55 . 2 . . . . 67 Leu CD1 . 17033 1 559 . 1 1 67 67 LEU CD2 C 13 23.19 0.55 . 2 . . . . 67 Leu CD2 . 17033 1 560 . 1 1 67 67 LEU CG C 13 27.43 0.55 . 1 . . . . 67 Leu CG . 17033 1 561 . 1 1 67 67 LEU N N 15 117.748 0.55 . 1 . . . . 67 Leu N . 17033 1 562 . 1 1 68 68 LEU H H 1 6.999 0.06 . 1 . . . . 68 Leu H . 17033 1 563 . 1 1 68 68 LEU HA H 1 4.115 0.06 . 1 . . . . 68 Leu HA . 17033 1 564 . 1 1 68 68 LEU HB2 H 1 1.752 0.06 . 1 . . . . 68 Leu HB2 . 17033 1 565 . 1 1 68 68 LEU HB3 H 1 1.621 0.06 . 1 . . . . 68 Leu HB3 . 17033 1 566 . 1 1 68 68 LEU HD11 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 567 . 1 1 68 68 LEU HD12 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 568 . 1 1 68 68 LEU HD13 H 1 0.77 0.06 . 2 . . . . 68 Leu HD1 . 17033 1 569 . 1 1 68 68 LEU HD21 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 570 . 1 1 68 68 LEU HD22 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 571 . 1 1 68 68 LEU HD23 H 1 0.865 0.06 . 2 . . . . 68 Leu HD2 . 17033 1 572 . 1 1 68 68 LEU HG H 1 1.67 0.06 . 1 . . . . 68 Leu HG . 17033 1 573 . 1 1 68 68 LEU CA C 13 57.65 0.55 . 1 . . . . 68 Leu CA . 17033 1 574 . 1 1 68 68 LEU CB C 13 41.885 0.55 . 1 . . . . 68 Leu CB . 17033 1 575 . 1 1 68 68 LEU CD1 C 13 24.9 0.55 . 2 . . . . 68 Leu CD1 . 17033 1 576 . 1 1 68 68 LEU CD2 C 13 23.67 0.55 . 2 . . . . 68 Leu CD2 . 17033 1 577 . 1 1 68 68 LEU CG C 13 27.23 0.55 . 1 . . . . 68 Leu CG . 17033 1 578 . 1 1 68 68 LEU N N 15 117.757 0.55 . 1 . . . . 68 Leu N . 17033 1 579 . 1 1 69 69 PHE H H 1 8.070 0.06 . 1 . . . . 69 Phe H . 17033 1 580 . 1 1 69 69 PHE HA H 1 4.175 0.06 . 1 . . . . 69 Phe HA . 17033 1 581 . 1 1 69 69 PHE HB2 H 1 3.135 0.06 . 2 . . . . 69 Phe HB2 . 17033 1 582 . 1 1 69 69 PHE HB3 H 1 3.038 0.06 . 2 . . . . 69 Phe HB3 . 17033 1 583 . 1 1 69 69 PHE HD1 H 1 7.26 0.06 . 3 . . . . 69 Phe HD1 . 17033 1 584 . 1 1 69 69 PHE HD2 H 1 7.26 0.06 . 3 . . . . 69 Phe HD2 . 17033 1 585 . 1 1 69 69 PHE HE1 H 1 6.661 0.06 . 3 . . . . 69 Phe HE1 . 17033 1 586 . 1 1 69 69 PHE HE2 H 1 6.661 0.06 . 3 . . . . 69 Phe HE2 . 17033 1 587 . 1 1 69 69 PHE CA C 13 62.082 0.55 . 1 . . . . 69 Phe CA . 17033 1 588 . 1 1 69 69 PHE CB C 13 40.355 0.55 . 1 . . . . 69 Phe CB . 17033 1 589 . 1 1 69 69 PHE CD1 C 13 131.99 0.55 . 3 . . . . 69 Phe CD1 . 17033 1 590 . 1 1 69 69 PHE CD2 C 13 131.99 0.55 . 3 . . . . 69 Phe CD2 . 17033 1 591 . 1 1 69 69 PHE CE1 C 13 130.68 0.55 . 3 . . . . 69 Phe CE1 . 17033 1 592 . 1 1 69 69 PHE CE2 C 13 130.68 0.55 . 3 . . . . 69 Phe CE2 . 17033 1 593 . 1 1 69 69 PHE N N 15 120.401 0.55 . 1 . . . . 69 Phe N . 17033 1 594 . 1 1 70 70 ARG H H 1 8.589 0.06 . 1 . . . . 70 Arg H . 17033 1 595 . 1 1 70 70 ARG HA H 1 3.772 0.06 . 1 . . . . 70 Arg HA . 17033 1 596 . 1 1 70 70 ARG HB2 H 1 2.207 0.06 . 2 . . . . 70 Arg HB2 . 17033 1 597 . 1 1 70 70 ARG HB3 H 1 1.87 0.06 . 2 . . . . 70 Arg HB3 . 17033 1 598 . 1 1 70 70 ARG HD2 H 1 3.108 0.06 . 2 . . . . 70 Arg HD2 . 17033 1 599 . 1 1 70 70 ARG HD3 H 1 3.108 0.06 . 2 . . . . 70 Arg HD3 . 17033 1 600 . 1 1 70 70 ARG HG2 H 1 1.796 0.06 . 2 . . . . 70 Arg HG2 . 17033 1 601 . 1 1 70 70 ARG HG3 H 1 1.796 0.06 . 2 . . . . 70 Arg HG3 . 17033 1 602 . 1 1 70 70 ARG CA C 13 60.560 0.55 . 1 . . . . 70 Arg CA . 17033 1 603 . 1 1 70 70 ARG CB C 13 29.606 0.55 . 1 . . . . 70 Arg CB . 17033 1 604 . 1 1 70 70 ARG CD C 13 43.29 0.55 . 1 . . . . 70 Arg CD . 17033 1 605 . 1 1 70 70 ARG CG C 13 27.29 0.55 . 1 . . . . 70 Arg CG . 17033 1 606 . 1 1 70 70 ARG N N 15 119.671 0.55 . 1 . . . . 70 Arg N . 17033 1 607 . 1 1 71 71 ASP H H 1 8.292 0.06 . 1 . . . . 71 Asp H . 17033 1 608 . 1 1 71 71 ASP HA H 1 4.323 0.06 . 1 . . . . 71 Asp HA . 17033 1 609 . 1 1 71 71 ASP HB2 H 1 2.774 0.06 . 2 . . . . 71 Asp HB2 . 17033 1 610 . 1 1 71 71 ASP HB3 H 1 2.563 0.06 . 2 . . . . 71 Asp HB3 . 17033 1 611 . 1 1 71 71 ASP CA C 13 57.06 0.55 . 1 . . . . 71 Asp CA . 17033 1 612 . 1 1 71 71 ASP CB C 13 40.149 0.55 . 1 . . . . 71 Asp CB . 17033 1 613 . 1 1 71 71 ASP N N 15 117.865 0.55 . 1 . . . . 71 Asp N . 17033 1 614 . 1 1 72 72 ARG H H 1 7.533 0.06 . 1 . . . . 72 Arg H . 17033 1 615 . 1 1 72 72 ARG HA H 1 3.810 0.06 . 1 . . . . 72 Arg HA . 17033 1 616 . 1 1 72 72 ARG HB2 H 1 1.381 0.06 . 2 . . . . 72 Arg HB2 . 17033 1 617 . 1 1 72 72 ARG HB3 H 1 0.977 0.06 . 2 . . . . 72 Arg HB3 . 17033 1 618 . 1 1 72 72 ARG HD2 H 1 2.899 0.06 . 2 . . . . 72 Arg HD2 . 17033 1 619 . 1 1 72 72 ARG HD3 H 1 2.733 0.06 . 2 . . . . 72 Arg HD3 . 17033 1 620 . 1 1 72 72 ARG HG2 H 1 1.178 0.06 . 2 . . . . 72 Arg HG2 . 17033 1 621 . 1 1 72 72 ARG HG3 H 1 0.402 0.06 . 2 . . . . 72 Arg HG3 . 17033 1 622 . 1 1 72 72 ARG CA C 13 58.708 0.55 . 1 . . . . 72 Arg CA . 17033 1 623 . 1 1 72 72 ARG CB C 13 31.232 0.55 . 1 . . . . 72 Arg CB . 17033 1 624 . 1 1 72 72 ARG CD C 13 43.8 0.55 . 1 . . . . 72 Arg CD . 17033 1 625 . 1 1 72 72 ARG CG C 13 26.9 0.55 . 1 . . . . 72 Arg CG . 17033 1 626 . 1 1 72 72 ARG N N 15 117.536 0.55 . 1 . . . . 72 Arg N . 17033 1 627 . 1 1 73 73 PHE H H 1 7.788 0.06 . 1 . . . . 73 Phe H . 17033 1 628 . 1 1 73 73 PHE HA H 1 4.652 0.06 . 1 . . . . 73 Phe HA . 17033 1 629 . 1 1 73 73 PHE HB2 H 1 2.794 0.06 . 2 . . . . 73 Phe HB2 . 17033 1 630 . 1 1 73 73 PHE HB3 H 1 1.851 0.06 . 2 . . . . 73 Phe HB3 . 17033 1 631 . 1 1 73 73 PHE HD1 H 1 6.103 0.06 . 3 . . . . 73 Phe HD1 . 17033 1 632 . 1 1 73 73 PHE HD2 H 1 6.103 0.06 . 3 . . . . 73 Phe HD2 . 17033 1 633 . 1 1 73 73 PHE HE1 H 1 6.578 0.06 . 3 . . . . 73 Phe HE1 . 17033 1 634 . 1 1 73 73 PHE HE2 H 1 6.578 0.06 . 3 . . . . 73 Phe HE2 . 17033 1 635 . 1 1 73 73 PHE CA C 13 60.279 0.55 . 1 . . . . 73 Phe CA . 17033 1 636 . 1 1 73 73 PHE CB C 13 40.644 0.55 . 1 . . . . 73 Phe CB . 17033 1 637 . 1 1 73 73 PHE CD1 C 13 131.779 0.55 . 3 . . . . 73 Phe CD1 . 17033 1 638 . 1 1 73 73 PHE CD2 C 13 131.779 0.55 . 3 . . . . 73 Phe CD2 . 17033 1 639 . 1 1 73 73 PHE CE1 C 13 134.3 0.55 . 3 . . . . 73 Phe CE1 . 17033 1 640 . 1 1 73 73 PHE CE2 C 13 134.3 0.55 . 3 . . . . 73 Phe CE2 . 17033 1 641 . 1 1 73 73 PHE N N 15 112.378 0.55 . 1 . . . . 73 Phe N . 17033 1 642 . 1 1 74 74 ASP H H 1 8.762 0.06 . 1 . . . . 74 Asp H . 17033 1 643 . 1 1 74 74 ASP HA H 1 4.534 0.06 . 1 . . . . 74 Asp HA . 17033 1 644 . 1 1 74 74 ASP HB2 H 1 2.74 0.06 . 1 . . . . 74 Asp HB2 . 17033 1 645 . 1 1 74 74 ASP HB3 H 1 2.80 0.06 . 1 . . . . 74 Asp HB3 . 17033 1 646 . 1 1 74 74 ASP CA C 13 57.706 0.55 . 1 . . . . 74 Asp CA . 17033 1 647 . 1 1 74 74 ASP CB C 13 41.37 0.55 . 1 . . . . 74 Asp CB . 17033 1 648 . 1 1 74 74 ASP N N 15 122.329 0.55 . 1 . . . . 74 Asp N . 17033 1 649 . 1 1 75 75 GLY H H 1 8.912 0.06 . 1 . . . . 75 Gly H . 17033 1 650 . 1 1 75 75 GLY HA2 H 1 4.240 0.06 . 2 . . . . 75 Gly HA2 . 17033 1 651 . 1 1 75 75 GLY HA3 H 1 3.658 0.06 . 2 . . . . 75 Gly HA3 . 17033 1 652 . 1 1 75 75 GLY CA C 13 45.787 0.55 . 1 . . . . 75 Gly CA . 17033 1 653 . 1 1 75 75 GLY N N 15 118.705 0.55 . 1 . . . . 75 Gly N . 17033 1 654 . 1 1 76 76 TYR H H 1 8.027 0.06 . 1 . . . . 76 Tyr H . 17033 1 655 . 1 1 76 76 TYR HA H 1 4.041 0.06 . 1 . . . . 76 Tyr HA . 17033 1 656 . 1 1 76 76 TYR HB2 H 1 3.125 0.06 . 2 . . . . 76 Tyr HB2 . 17033 1 657 . 1 1 76 76 TYR HB3 H 1 3.125 0.06 . 2 . . . . 76 Tyr HB3 . 17033 1 658 . 1 1 76 76 TYR HD1 H 1 6.585 0.06 . 3 . . . . 76 Tyr HD1 . 17033 1 659 . 1 1 76 76 TYR HD2 H 1 6.585 0.06 . 3 . . . . 76 Tyr HD2 . 17033 1 660 . 1 1 76 76 TYR HE1 H 1 6.316 0.06 . 3 . . . . 76 Tyr HE1 . 17033 1 661 . 1 1 76 76 TYR HE2 H 1 6.316 0.06 . 3 . . . . 76 Tyr HE2 . 17033 1 662 . 1 1 76 76 TYR CA C 13 59.236 0.55 . 1 . . . . 76 Tyr CA . 17033 1 663 . 1 1 76 76 TYR CB C 13 40.304 0.55 . 1 . . . . 76 Tyr CB . 17033 1 664 . 1 1 76 76 TYR CD1 C 13 134.17 0.55 . 3 . . . . 76 Tyr CD1 . 17033 1 665 . 1 1 76 76 TYR CD2 C 13 134.17 0.55 . 3 . . . . 76 Tyr CD2 . 17033 1 666 . 1 1 76 76 TYR CE1 C 13 117.3 0.55 . 3 . . . . 76 Tyr CE1 . 17033 1 667 . 1 1 76 76 TYR CE2 C 13 117.3 0.55 . 3 . . . . 76 Tyr CE2 . 17033 1 668 . 1 1 76 76 TYR N N 15 123.833 0.55 . 1 . . . . 76 Tyr N . 17033 1 669 . 1 1 77 77 ILE H H 1 7.64 0.06 . 1 . . . . 77 Ile H . 17033 1 670 . 1 1 77 77 ILE HA H 1 3.965 0.06 . 1 . . . . 77 Ile HA . 17033 1 671 . 1 1 77 77 ILE HB H 1 1.555 0.06 . 1 . . . . 77 Ile HB . 17033 1 672 . 1 1 77 77 ILE HD11 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 673 . 1 1 77 77 ILE HD12 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 674 . 1 1 77 77 ILE HD13 H 1 0.729 0.06 . 1 . . . . 77 Ile HD1 . 17033 1 675 . 1 1 77 77 ILE HG12 H 1 1.603 0.06 . 2 . . . . 77 Ile HG12 . 17033 1 676 . 1 1 77 77 ILE HG13 H 1 0.974 0.06 . 2 . . . . 77 Ile HG13 . 17033 1 677 . 1 1 77 77 ILE HG21 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 678 . 1 1 77 77 ILE HG22 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 679 . 1 1 77 77 ILE HG23 H 1 0.679 0.06 . 1 . . . . 77 Ile HG2 . 17033 1 680 . 1 1 77 77 ILE CA C 13 61.833 0.55 . 1 . . . . 77 Ile CA . 17033 1 681 . 1 1 77 77 ILE CB C 13 37.189 0.55 . 1 . . . . 77 Ile CB . 17033 1 682 . 1 1 77 77 ILE CD1 C 13 12.02 0.55 . 1 . . . . 77 Ile CD1 . 17033 1 683 . 1 1 77 77 ILE CG1 C 13 28.141 0.55 . 1 . . . . 77 Ile CG1 . 17033 1 684 . 1 1 77 77 ILE CG2 C 13 18.16 0.55 . 1 . . . . 77 Ile CG2 . 17033 1 685 . 1 1 77 77 ILE N N 15 127.127 0.55 . 1 . . . . 77 Ile N . 17033 1 686 . 1 1 78 78 PHE H H 1 8.372 0.06 . 1 . . . . 78 Phe H . 17033 1 687 . 1 1 78 78 PHE HA H 1 4.601 0.06 . 1 . . . . 78 Phe HA . 17033 1 688 . 1 1 78 78 PHE HB2 H 1 3.264 0.06 . 2 . . . . 78 Phe HB2 . 17033 1 689 . 1 1 78 78 PHE HB3 H 1 2.907 0.06 . 2 . . . . 78 Phe HB3 . 17033 1 690 . 1 1 78 78 PHE HD1 H 1 7.602 0.06 . 3 . . . . 78 Phe HD1 . 17033 1 691 . 1 1 78 78 PHE HD2 H 1 7.602 0.06 . 3 . . . . 78 Phe HD2 . 17033 1 692 . 1 1 78 78 PHE CA C 13 57.652 0.55 . 1 . . . . 78 Phe CA . 17033 1 693 . 1 1 78 78 PHE CB C 13 41.676 0.55 . 1 . . . . 78 Phe CB . 17033 1 694 . 1 1 78 78 PHE CD1 C 13 132.625 0.55 . 3 . . . . 78 Phe CD1 . 17033 1 695 . 1 1 78 78 PHE CD2 C 13 132.625 0.55 . 3 . . . . 78 Phe CD2 . 17033 1 696 . 1 1 78 78 PHE N N 15 128.546 0.55 . 1 . . . . 78 Phe N . 17033 1 697 . 1 1 79 79 LEU H H 1 8.832 0.06 . 1 . . . . 79 Leu H . 17033 1 698 . 1 1 79 79 LEU HA H 1 5.68 0.06 . 1 . . . . 79 Leu HA . 17033 1 699 . 1 1 79 79 LEU HB2 H 1 1.762 0.06 . 2 . . . . 79 Leu HB2 . 17033 1 700 . 1 1 79 79 LEU HB3 H 1 1.534 0.06 . 2 . . . . 79 Leu HB3 . 17033 1 701 . 1 1 79 79 LEU HD11 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 702 . 1 1 79 79 LEU HD12 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 703 . 1 1 79 79 LEU HD13 H 1 0.886 0.06 . 2 . . . . 79 Leu HD1 . 17033 1 704 . 1 1 79 79 LEU HD21 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 705 . 1 1 79 79 LEU HD22 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 706 . 1 1 79 79 LEU HD23 H 1 0.759 0.06 . 2 . . . . 79 Leu HD2 . 17033 1 707 . 1 1 79 79 LEU HG H 1 1.611 0.06 . 1 . . . . 79 Leu HG . 17033 1 708 . 1 1 79 79 LEU CA C 13 53.524 0.55 . 1 . . . . 79 Leu CA . 17033 1 709 . 1 1 79 79 LEU CB C 13 45.29 0.55 . 1 . . . . 79 Leu CB . 17033 1 710 . 1 1 79 79 LEU CD1 C 13 25.5 0.55 . 2 . . . . 79 Leu CD1 . 17033 1 711 . 1 1 79 79 LEU CD2 C 13 24.7 0.55 . 2 . . . . 79 Leu CD2 . 17033 1 712 . 1 1 79 79 LEU CG C 13 27.32 0.55 . 1 . . . . 79 Leu CG . 17033 1 713 . 1 1 79 79 LEU N N 15 121.48 0.55 . 1 . . . . 79 Leu N . 17033 1 714 . 1 1 80 80 ASP H H 1 8.421 0.06 . 1 . . . . 80 Asp H . 17033 1 715 . 1 1 80 80 ASP HA H 1 4.85 0.06 . 1 . . . . 80 Asp HA . 17033 1 716 . 1 1 80 80 ASP HB2 H 1 3.5 0.06 . 2 . . . . 80 Asp HB2 . 17033 1 717 . 1 1 80 80 ASP HB3 H 1 2.7 0.06 . 2 . . . . 80 Asp HB3 . 17033 1 718 . 1 1 80 80 ASP CA C 13 52.011 0.55 . 1 . . . . 80 Asp CA . 17033 1 719 . 1 1 80 80 ASP CB C 13 42.57 0.55 . 1 . . . . 80 Asp CB . 17033 1 720 . 1 1 80 80 ASP N N 15 120.668 0.55 . 1 . . . . 80 Asp N . 17033 1 721 . 1 1 81 81 SER HA H 1 4.215 0.06 . 1 . . . . 81 Ser HA . 17033 1 722 . 1 1 81 81 SER HB2 H 1 4.031 0.06 . 2 . . . . 81 Ser HB2 . 17033 1 723 . 1 1 81 81 SER HB3 H 1 3.991 0.06 . 2 . . . . 81 Ser HB3 . 17033 1 724 . 1 1 81 81 SER CA C 13 60.73 0.55 . 1 . . . . 81 Ser CA . 17033 1 725 . 1 1 81 81 SER CB C 13 63.159 0.55 . 1 . . . . 81 Ser CB . 17033 1 726 . 1 1 82 82 LYS H H 1 8.155 0.06 . 1 . . . . 82 Lys H . 17033 1 727 . 1 1 82 82 LYS HA H 1 4.541 0.06 . 1 . . . . 82 Lys HA . 17033 1 728 . 1 1 82 82 LYS HB2 H 1 1.999 0.06 . 2 . . . . 82 Lys HB2 . 17033 1 729 . 1 1 82 82 LYS HB3 H 1 1.999 0.06 . 2 . . . . 82 Lys HB3 . 17033 1 730 . 1 1 82 82 LYS HD2 H 1 1.689 0.06 . 2 . . . . 82 Lys HD2 . 17033 1 731 . 1 1 82 82 LYS HD3 H 1 1.689 0.06 . 2 . . . . 82 Lys HD3 . 17033 1 732 . 1 1 82 82 LYS HE2 H 1 2.999 0.06 . 2 . . . . 82 Lys HE2 . 17033 1 733 . 1 1 82 82 LYS HE3 H 1 2.999 0.06 . 2 . . . . 82 Lys HE3 . 17033 1 734 . 1 1 82 82 LYS HG2 H 1 1.446 0.06 . 2 . . . . 82 Lys HG2 . 17033 1 735 . 1 1 82 82 LYS HG3 H 1 1.446 0.06 . 2 . . . . 82 Lys HG3 . 17033 1 736 . 1 1 82 82 LYS CA C 13 55.6 0.55 . 1 . . . . 82 Lys CA . 17033 1 737 . 1 1 82 82 LYS CB C 13 32.566 0.55 . 1 . . . . 82 Lys CB . 17033 1 738 . 1 1 82 82 LYS CD C 13 28.79 0.55 . 1 . . . . 82 Lys CD . 17033 1 739 . 1 1 82 82 LYS CE C 13 42.29 0.55 . 1 . . . . 82 Lys CE . 17033 1 740 . 1 1 82 82 LYS CG C 13 24.954 0.55 . 1 . . . . 82 Lys CG . 17033 1 741 . 1 1 82 82 LYS N N 15 120.795 0.55 . 1 . . . . 82 Lys N . 17033 1 742 . 1 1 83 83 GLY H H 1 8.082 0.06 . 1 . . . . 83 Gly H . 17033 1 743 . 1 1 83 83 GLY HA2 H 1 4.236 0.06 . 2 . . . . 83 Gly HA2 . 17033 1 744 . 1 1 83 83 GLY HA3 H 1 3.586 0.06 . 2 . . . . 83 Gly HA3 . 17033 1 745 . 1 1 83 83 GLY CA C 13 45.773 0.55 . 1 . . . . 83 Gly CA . 17033 1 746 . 1 1 83 83 GLY N N 15 108.810 0.55 . 1 . . . . 83 Gly N . 17033 1 747 . 1 1 84 84 LEU H H 1 8.750 0.06 . 1 . . . . 84 Leu H . 17033 1 748 . 1 1 84 84 LEU HA H 1 4.300 0.06 . 1 . . . . 84 Leu HA . 17033 1 749 . 1 1 84 84 LEU HB2 H 1 1.599 0.06 . 2 . . . . 84 Leu HB2 . 17033 1 750 . 1 1 84 84 LEU HB3 H 1 1.599 0.06 . 2 . . . . 84 Leu HB3 . 17033 1 751 . 1 1 84 84 LEU HD11 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 752 . 1 1 84 84 LEU HD12 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 753 . 1 1 84 84 LEU HD13 H 1 0.856 0.06 . 2 . . . . 84 Leu HD1 . 17033 1 754 . 1 1 84 84 LEU HD21 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 755 . 1 1 84 84 LEU HD22 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 756 . 1 1 84 84 LEU HD23 H 1 0.856 0.06 . 2 . . . . 84 Leu HD2 . 17033 1 757 . 1 1 84 84 LEU HG H 1 1.598 0.06 . 1 . . . . 84 Leu HG . 17033 1 758 . 1 1 84 84 LEU CA C 13 55.431 0.55 . 1 . . . . 84 Leu CA . 17033 1 759 . 1 1 84 84 LEU CB C 13 41.652 0.55 . 1 . . . . 84 Leu CB . 17033 1 760 . 1 1 84 84 LEU CD1 C 13 24.0 0.55 . 2 . . . . 84 Leu CD1 . 17033 1 761 . 1 1 84 84 LEU CD2 C 13 24.0 0.55 . 2 . . . . 84 Leu CD2 . 17033 1 762 . 1 1 84 84 LEU CG C 13 27.57 0.55 . 1 . . . . 84 Leu CG . 17033 1 763 . 1 1 84 84 LEU N N 15 124.566 0.55 . 1 . . . . 84 Leu N . 17033 1 764 . 1 1 85 85 GLU H H 1 8.132 0.06 . 1 . . . . 85 Glu H . 17033 1 765 . 1 1 85 85 GLU HA H 1 4.413 0.06 . 1 . . . . 85 Glu HA . 17033 1 766 . 1 1 85 85 GLU HB2 H 1 1.964 0.06 . 2 . . . . 85 Glu HB2 . 17033 1 767 . 1 1 85 85 GLU HB3 H 1 1.747 0.06 . 2 . . . . 85 Glu HB3 . 17033 1 768 . 1 1 85 85 GLU HG2 H 1 2.405 0.06 . 2 . . . . 85 Glu HG2 . 17033 1 769 . 1 1 85 85 GLU HG3 H 1 2.029 0.06 . 2 . . . . 85 Glu HG3 . 17033 1 770 . 1 1 85 85 GLU CA C 13 57.097 0.55 . 1 . . . . 85 Glu CA . 17033 1 771 . 1 1 85 85 GLU CB C 13 31.731 0.55 . 1 . . . . 85 Glu CB . 17033 1 772 . 1 1 85 85 GLU CG C 13 36.751 0.55 . 1 . . . . 85 Glu CG . 17033 1 773 . 1 1 85 85 GLU N N 15 119.846 0.55 . 1 . . . . 85 Glu N . 17033 1 774 . 1 1 86 86 TYR H H 1 9.524 0.06 . 1 . . . . 86 Tyr H . 17033 1 775 . 1 1 86 86 TYR HA H 1 4.87 0.06 . 1 . . . . 86 Tyr HA . 17033 1 776 . 1 1 86 86 TYR HB2 H 1 3.53 0.06 . 2 . . . . 86 Tyr HB2 . 17033 1 777 . 1 1 86 86 TYR HB3 H 1 3.53 0.06 . 2 . . . . 86 Tyr HB3 . 17033 1 778 . 1 1 86 86 TYR HD1 H 1 7.328 0.06 . 3 . . . . 86 Tyr HD1 . 17033 1 779 . 1 1 86 86 TYR HD2 H 1 7.328 0.06 . 3 . . . . 86 Tyr HD2 . 17033 1 780 . 1 1 86 86 TYR HE1 H 1 6.86 0.06 . 3 . . . . 86 Tyr HE1 . 17033 1 781 . 1 1 86 86 TYR HE2 H 1 6.86 0.06 . 3 . . . . 86 Tyr HE2 . 17033 1 782 . 1 1 86 86 TYR CA C 13 55.979 0.55 . 1 . . . . 86 Tyr CA . 17033 1 783 . 1 1 86 86 TYR CB C 13 39.282 0.55 . 1 . . . . 86 Tyr CB . 17033 1 784 . 1 1 86 86 TYR CD1 C 13 133.804 0.55 . 3 . . . . 86 Tyr CD1 . 17033 1 785 . 1 1 86 86 TYR CD2 C 13 133.804 0.55 . 3 . . . . 86 Tyr CD2 . 17033 1 786 . 1 1 86 86 TYR CE1 C 13 118.34 0.55 . 3 . . . . 86 Tyr CE1 . 17033 1 787 . 1 1 86 86 TYR CE2 C 13 118.34 0.55 . 3 . . . . 86 Tyr CE2 . 17033 1 788 . 1 1 86 86 TYR N N 15 123.234 0.55 . 1 . . . . 86 Tyr N . 17033 1 789 . 1 1 87 87 PRO HA H 1 4.779 0.06 . 1 . . . . 87 Pro HA . 17033 1 790 . 1 1 87 87 PRO HB2 H 1 2.07 0.06 . 2 . . . . 87 Pro HB2 . 17033 1 791 . 1 1 87 87 PRO HB3 H 1 1.954 0.06 . 2 . . . . 87 Pro HB3 . 17033 1 792 . 1 1 87 87 PRO HD2 H 1 3.66 0.06 . 2 . . . . 87 Pro HD2 . 17033 1 793 . 1 1 87 87 PRO HD3 H 1 3.514 0.06 . 2 . . . . 87 Pro HD3 . 17033 1 794 . 1 1 87 87 PRO HG2 H 1 2.193 0.06 . 2 . . . . 87 Pro HG2 . 17033 1 795 . 1 1 87 87 PRO HG3 H 1 1.887 0.06 . 2 . . . . 87 Pro HG3 . 17033 1 796 . 1 1 87 87 PRO CA C 13 61.621 0.55 . 1 . . . . 87 Pro CA . 17033 1 797 . 1 1 87 87 PRO CB C 13 30.42 0.55 . 1 . . . . 87 Pro CB . 17033 1 798 . 1 1 87 87 PRO CD C 13 50.5 0.55 . 1 . . . . 87 Pro CD . 17033 1 799 . 1 1 87 87 PRO CG C 13 27.865 0.55 . 1 . . . . 87 Pro CG . 17033 1 800 . 1 1 88 88 ALA H H 1 9.484 0.06 . 1 . . . . 88 Ala H . 17033 1 801 . 1 1 88 88 ALA HA H 1 4.432 0.06 . 1 . . . . 88 Ala HA . 17033 1 802 . 1 1 88 88 ALA HB1 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 803 . 1 1 88 88 ALA HB2 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 804 . 1 1 88 88 ALA HB3 H 1 1.792 0.06 . 1 . . . . 88 Ala HB . 17033 1 805 . 1 1 88 88 ALA CA C 13 52.784 0.55 . 1 . . . . 88 Ala CA . 17033 1 806 . 1 1 88 88 ALA CB C 13 20.028 0.55 . 1 . . . . 88 Ala CB . 17033 1 807 . 1 1 88 88 ALA N N 15 132.614 0.55 . 1 . . . . 88 Ala N . 17033 1 808 . 1 1 89 89 VAL H H 1 7.949 0.06 . 1 . . . . 89 Val H . 17033 1 809 . 1 1 89 89 VAL HA H 1 4.580 0.06 . 1 . . . . 89 Val HA . 17033 1 810 . 1 1 89 89 VAL HB H 1 1.534 0.06 . 1 . . . . 89 Val HB . 17033 1 811 . 1 1 89 89 VAL HG11 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 812 . 1 1 89 89 VAL HG12 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 813 . 1 1 89 89 VAL HG13 H 1 0.882 0.06 . 2 . . . . 89 Val HG1 . 17033 1 814 . 1 1 89 89 VAL HG21 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 815 . 1 1 89 89 VAL HG22 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 816 . 1 1 89 89 VAL HG23 H 1 0.802 0.06 . 2 . . . . 89 Val HG2 . 17033 1 817 . 1 1 89 89 VAL CA C 13 61.302 0.55 . 1 . . . . 89 Val CA . 17033 1 818 . 1 1 89 89 VAL CB C 13 34.567 0.55 . 1 . . . . 89 Val CB . 17033 1 819 . 1 1 89 89 VAL CG1 C 13 21.25 0.55 . 2 . . . . 89 Val CG1 . 17033 1 820 . 1 1 89 89 VAL CG2 C 13 20.6 0.55 . 2 . . . . 89 Val CG2 . 17033 1 821 . 1 1 89 89 VAL N N 15 121.500 0.55 . 1 . . . . 89 Val N . 17033 1 822 . 1 1 90 90 VAL H H 1 8.823 0.06 . 1 . . . . 90 Val H . 17033 1 823 . 1 1 90 90 VAL HA H 1 5.251 0.06 . 1 . . . . 90 Val HA . 17033 1 824 . 1 1 90 90 VAL HB H 1 1.878 0.06 . 1 . . . . 90 Val HB . 17033 1 825 . 1 1 90 90 VAL HG11 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 826 . 1 1 90 90 VAL HG12 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 827 . 1 1 90 90 VAL HG13 H 1 0.920 0.06 . 2 . . . . 90 Val HG1 . 17033 1 828 . 1 1 90 90 VAL HG21 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 829 . 1 1 90 90 VAL HG22 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 830 . 1 1 90 90 VAL HG23 H 1 0.920 0.06 . 2 . . . . 90 Val HG2 . 17033 1 831 . 1 1 90 90 VAL CA C 13 60.949 0.55 . 1 . . . . 90 Val CA . 17033 1 832 . 1 1 90 90 VAL CB C 13 33.696 0.55 . 1 . . . . 90 Val CB . 17033 1 833 . 1 1 90 90 VAL CG1 C 13 21.76 0.55 . 2 . . . . 90 Val CG1 . 17033 1 834 . 1 1 90 90 VAL CG2 C 13 21.76 0.55 . 2 . . . . 90 Val CG2 . 17033 1 835 . 1 1 90 90 VAL N N 15 126.842 0.55 . 1 . . . . 90 Val N . 17033 1 836 . 1 1 91 91 GLU H H 1 9.033 0.06 . 1 . . . . 91 Glu H . 17033 1 837 . 1 1 91 91 GLU HA H 1 4.632 0.06 . 1 . . . . 91 Glu HA . 17033 1 838 . 1 1 91 91 GLU HB2 H 1 1.894 0.06 . 2 . . . . 91 Glu HB2 . 17033 1 839 . 1 1 91 91 GLU HB3 H 1 1.894 0.06 . 2 . . . . 91 Glu HB3 . 17033 1 840 . 1 1 91 91 GLU HG2 H 1 2.088 0.06 . 2 . . . . 91 Glu HG2 . 17033 1 841 . 1 1 91 91 GLU HG3 H 1 2.018 0.06 . 2 . . . . 91 Glu HG3 . 17033 1 842 . 1 1 91 91 GLU CA C 13 53.742 0.55 . 1 . . . . 91 Glu CA . 17033 1 843 . 1 1 91 91 GLU CB C 13 33.814 0.55 . 1 . . . . 91 Glu CB . 17033 1 844 . 1 1 91 91 GLU CG C 13 35.99 0.55 . 1 . . . . 91 Glu CG . 17033 1 845 . 1 1 91 91 GLU N N 15 124.982 0.55 . 1 . . . . 91 Glu N . 17033 1 846 . 1 1 92 92 PHE H H 1 8.412 0.06 . 1 . . . . 92 Phe H . 17033 1 847 . 1 1 92 92 PHE HA H 1 5.099 0.06 . 1 . . . . 92 Phe HA . 17033 1 848 . 1 1 92 92 PHE HB2 H 1 3.19 0.06 . 2 . . . . 92 Phe HB2 . 17033 1 849 . 1 1 92 92 PHE HB3 H 1 2.998 0.06 . 2 . . . . 92 Phe HB3 . 17033 1 850 . 1 1 92 92 PHE HD1 H 1 7.26 0.06 . 3 . . . . 92 Phe HD1 . 17033 1 851 . 1 1 92 92 PHE HD2 H 1 7.26 0.06 . 3 . . . . 92 Phe HD2 . 17033 1 852 . 1 1 92 92 PHE CA C 13 56.735 0.55 . 1 . . . . 92 Phe CA . 17033 1 853 . 1 1 92 92 PHE CB C 13 39.7 0.55 . 1 . . . . 92 Phe CB . 17033 1 854 . 1 1 92 92 PHE CD1 C 13 131.8 0.55 . 3 . . . . 92 Phe CD1 . 17033 1 855 . 1 1 92 92 PHE CD2 C 13 131.9 0.55 . 3 . . . . 92 Phe CD2 . 17033 1 856 . 1 1 92 92 PHE N N 15 119.445 0.55 . 1 . . . . 92 Phe N . 17033 1 857 . 1 1 93 93 ALA H H 1 8.76 0.06 . 1 . . . . 93 Ala H . 17033 1 858 . 1 1 93 93 ALA HA H 1 4.65 0.06 . 1 . . . . 93 Ala HA . 17033 1 859 . 1 1 93 93 ALA HB1 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 860 . 1 1 93 93 ALA HB2 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 861 . 1 1 93 93 ALA HB3 H 1 1.21 0.06 . 1 . . . . 93 Ala HB . 17033 1 862 . 1 1 93 93 ALA CA C 13 50.21 0.55 . 1 . . . . 93 Ala CA . 17033 1 863 . 1 1 93 93 ALA CB C 13 19.05 0.55 . 1 . . . . 93 Ala CB . 17033 1 864 . 1 1 93 93 ALA N N 15 127.94 0.55 . 1 . . . . 93 Ala N . 17033 1 865 . 1 1 94 94 PRO HA H 1 4.35 0.06 . 1 . . . . 94 Pro HA . 17033 1 866 . 1 1 94 94 PRO HB2 H 1 2.106 0.06 . 2 . . . . 94 Pro HB2 . 17033 1 867 . 1 1 94 94 PRO HB3 H 1 1.702 0.06 . 2 . . . . 94 Pro HB3 . 17033 1 868 . 1 1 94 94 PRO HD2 H 1 3.495 0.06 . 2 . . . . 94 Pro HD2 . 17033 1 869 . 1 1 94 94 PRO HD3 H 1 3.452 0.06 . 2 . . . . 94 Pro HD3 . 17033 1 870 . 1 1 94 94 PRO HG2 H 1 1.852 0.06 . 2 . . . . 94 Pro HG2 . 17033 1 871 . 1 1 94 94 PRO HG3 H 1 1.852 0.06 . 2 . . . . 94 Pro HG3 . 17033 1 872 . 1 1 94 94 PRO CA C 13 62.98 0.55 . 1 . . . . 94 Pro CA . 17033 1 873 . 1 1 94 94 PRO CB C 13 31.734 0.55 . 1 . . . . 94 Pro CB . 17033 1 874 . 1 1 94 94 PRO CD C 13 50.57 0.55 . 1 . . . . 94 Pro CD . 17033 1 875 . 1 1 94 94 PRO CG C 13 27.33 0.55 . 1 . . . . 94 Pro CG . 17033 1 876 . 1 1 95 95 PHE H H 1 8.091 0.06 . 1 . . . . 95 Phe H . 17033 1 877 . 1 1 95 95 PHE HA H 1 4.504 0.06 . 1 . . . . 95 Phe HA . 17033 1 878 . 1 1 95 95 PHE HB2 H 1 2.962 0.06 . 2 . . . . 95 Phe HB2 . 17033 1 879 . 1 1 95 95 PHE HB3 H 1 2.962 0.06 . 2 . . . . 95 Phe HB3 . 17033 1 880 . 1 1 95 95 PHE HD1 H 1 7.063 0.06 . 3 . . . . 95 Phe HD1 . 17033 1 881 . 1 1 95 95 PHE HD2 H 1 7.063 0.06 . 3 . . . . 95 Phe HD2 . 17033 1 882 . 1 1 95 95 PHE CA C 13 57.314 0.55 . 1 . . . . 95 Phe CA . 17033 1 883 . 1 1 95 95 PHE CB C 13 39.422 0.55 . 1 . . . . 95 Phe CB . 17033 1 884 . 1 1 95 95 PHE CD1 C 13 131.69 0.55 . 3 . . . . 95 Phe CD1 . 17033 1 885 . 1 1 95 95 PHE CD2 C 13 131.69 0.55 . 3 . . . . 95 Phe CD2 . 17033 1 886 . 1 1 95 95 PHE N N 15 119.403 0.55 . 1 . . . . 95 Phe N . 17033 1 887 . 1 1 96 96 GLN H H 1 7.962 0.06 . 1 . . . . 96 Gln H . 17033 1 888 . 1 1 96 96 GLN HA H 1 4.176 0.06 . 1 . . . . 96 Gln HA . 17033 1 889 . 1 1 96 96 GLN HB2 H 1 1.952 0.06 . 2 . . . . 96 Gln HB2 . 17033 1 890 . 1 1 96 96 GLN HB3 H 1 1.768 0.06 . 2 . . . . 96 Gln HB3 . 17033 1 891 . 1 1 96 96 GLN HE21 H 1 7.53 0.06 . 2 . . . . 96 Gln HE21 . 17033 1 892 . 1 1 96 96 GLN HE22 H 1 7.12 0.06 . 2 . . . . 96 Gln HE22 . 17033 1 893 . 1 1 96 96 GLN HG2 H 1 2.348 0.06 . 2 . . . . 96 Gln HG2 . 17033 1 894 . 1 1 96 96 GLN HG3 H 1 2.136 0.06 . 2 . . . . 96 Gln HG3 . 17033 1 895 . 1 1 96 96 GLN CA C 13 55.624 0.55 . 1 . . . . 96 Gln CA . 17033 1 896 . 1 1 96 96 GLN CB C 13 29.899 0.55 . 1 . . . . 96 Gln CB . 17033 1 897 . 1 1 96 96 GLN CG C 13 33.80 0.55 . 1 . . . . 96 Gln CG . 17033 1 898 . 1 1 96 96 GLN N N 15 122.670 0.55 . 1 . . . . 96 Gln N . 17033 1 899 . 1 1 96 96 GLN NE2 N 15 112.8 0.55 . 1 . . . . 96 Gln NE2 . 17033 1 900 . 1 1 97 97 LYS H H 1 7.783 0.06 . 1 . . . . 97 Lys H . 17033 1 901 . 1 1 97 97 LYS HA H 1 3.992 0.06 . 1 . . . . 97 Lys HA . 17033 1 902 . 1 1 97 97 LYS HB2 H 1 1.69 0.06 . 2 . . . . 97 Lys HB2 . 17033 1 903 . 1 1 97 97 LYS HB3 H 1 1.568 0.06 . 2 . . . . 97 Lys HB3 . 17033 1 904 . 1 1 97 97 LYS HD2 H 1 1.573 0.06 . 2 . . . . 97 Lys HD2 . 17033 1 905 . 1 1 97 97 LYS HD3 H 1 1.573 0.06 . 2 . . . . 97 Lys HD3 . 17033 1 906 . 1 1 97 97 LYS HE2 H 1 2.87 0.06 . 2 . . . . 97 Lys HE2 . 17033 1 907 . 1 1 97 97 LYS HE3 H 1 2.87 0.06 . 2 . . . . 97 Lys HE3 . 17033 1 908 . 1 1 97 97 LYS HG2 H 1 1.251 0.06 . 2 . . . . 97 Lys HG2 . 17033 1 909 . 1 1 97 97 LYS HG3 H 1 1.251 0.06 . 2 . . . . 97 Lys HG3 . 17033 1 910 . 1 1 97 97 LYS CA C 13 57.732 0.55 . 1 . . . . 97 Lys CA . 17033 1 911 . 1 1 97 97 LYS CB C 13 33.809 0.55 . 1 . . . . 97 Lys CB . 17033 1 912 . 1 1 97 97 LYS CD C 13 29.2 0.55 . 1 . . . . 97 Lys CD . 17033 1 913 . 1 1 97 97 LYS CE C 13 42.15 0.55 . 1 . . . . 97 Lys CE . 17033 1 914 . 1 1 97 97 LYS CG C 13 24.89 0.55 . 1 . . . . 97 Lys CG . 17033 1 915 . 1 1 97 97 LYS N N 15 127.851 0.55 . 1 . . . . 97 Lys N . 17033 1 stop_ save_