################################### # 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 11035 _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' 1 $sample_1 isotropic 11035 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11035 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11035 1 4 '3D CBCANH' 1 $sample_1 isotropic 11035 1 5 '3D HNCO' 1 $sample_1 isotropic 11035 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 11035 1 7 '3D H(CCCO)NH' 1 $sample_1 isotropic 11035 1 8 '3D CC(CO)NH' 1 $sample_1 isotropic 11035 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11035 1 10 '4D HCC(CO)NH' 1 $sample_1 isotropic 11035 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11035 1 12 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11035 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 1 1 MET CA C 13 55.437 0.400 . 1 . . . . 1 MET CA . 11035 1 2 . 1 1 1 1 MET HA H 1 4.084 0.020 . 1 . . . . 1 MET HA . 11035 1 3 . 1 1 1 1 MET CB C 13 33.616 0.400 . 1 . . . . 1 MET CB . 11035 1 4 . 1 1 1 1 MET HB2 H 1 1.995 0.020 . 1 . . . . 1 MET HB2 . 11035 1 5 . 1 1 1 1 MET HB3 H 1 1.995 0.020 . 1 . . . . 1 MET HB3 . 11035 1 6 . 1 1 1 1 MET CG C 13 30.987 0.400 . 1 . . . . 1 MET CG . 11035 1 7 . 1 1 1 1 MET HG2 H 1 2.307 0.020 . 1 . . . . 1 MET HG2 . 11035 1 8 . 1 1 1 1 MET HG3 H 1 2.307 0.020 . 1 . . . . 1 MET HG3 . 11035 1 9 . 1 1 1 1 MET CE C 13 17.030 0.400 . 1 . . . . 1 MET CE . 11035 1 10 . 1 1 1 1 MET HE1 H 1 1.904 0.020 . 1 . . . . 1 MET HE1 . 11035 1 11 . 1 1 1 1 MET HE2 H 1 1.904 0.020 . 1 . . . . 1 MET HE2 . 11035 1 12 . 1 1 1 1 MET HE3 H 1 1.904 0.020 . 1 . . . . 1 MET HE3 . 11035 1 13 . 1 1 2 2 LEU N N 15 128.925 0.400 . 1 . . . . 2 LEU N . 11035 1 14 . 1 1 2 2 LEU H H 1 8.765 0.020 . 1 . . . . 2 LEU H . 11035 1 15 . 1 1 2 2 LEU CA C 13 54.250 0.400 . 1 . . . . 2 LEU CA . 11035 1 16 . 1 1 2 2 LEU HA H 1 4.529 0.020 . 1 . . . . 2 LEU HA . 11035 1 17 . 1 1 2 2 LEU CB C 13 45.304 0.400 . 1 . . . . 2 LEU CB . 11035 1 18 . 1 1 2 2 LEU HB2 H 1 1.331 0.020 . 2 . . . . 2 LEU HB2 . 11035 1 19 . 1 1 2 2 LEU HB3 H 1 1.444 0.020 . 2 . . . . 2 LEU HB3 . 11035 1 20 . 1 1 2 2 LEU CG C 13 26.707 0.400 . 1 . . . . 2 LEU CG . 11035 1 21 . 1 1 2 2 LEU HG H 1 1.524 0.020 . 1 . . . . 2 LEU HG . 11035 1 22 . 1 1 2 2 LEU HD11 H 1 0.742 0.020 . 1 . . . . 2 LEU HD1 . 11035 1 23 . 1 1 2 2 LEU HD12 H 1 0.742 0.020 . 1 . . . . 2 LEU HD1 . 11035 1 24 . 1 1 2 2 LEU HD13 H 1 0.742 0.020 . 1 . . . . 2 LEU HD1 . 11035 1 25 . 1 1 2 2 LEU HD21 H 1 0.742 0.020 . 1 . . . . 2 LEU HD2 . 11035 1 26 . 1 1 2 2 LEU HD22 H 1 0.742 0.020 . 1 . . . . 2 LEU HD2 . 11035 1 27 . 1 1 2 2 LEU HD23 H 1 0.742 0.020 . 1 . . . . 2 LEU HD2 . 11035 1 28 . 1 1 2 2 LEU CD1 C 13 25.351 0.400 . 1 . . . . 2 LEU CD1 . 11035 1 29 . 1 1 3 3 LYS N N 15 126.076 0.400 . 1 . . . . 3 LYS N . 11035 1 30 . 1 1 3 3 LYS H H 1 8.762 0.020 . 1 . . . . 3 LYS H . 11035 1 31 . 1 1 3 3 LYS CA C 13 54.862 0.400 . 1 . . . . 3 LYS CA . 11035 1 32 . 1 1 3 3 LYS HA H 1 5.077 0.020 . 1 . . . . 3 LYS HA . 11035 1 33 . 1 1 3 3 LYS CB C 13 34.972 0.400 . 1 . . . . 3 LYS CB . 11035 1 34 . 1 1 3 3 LYS HB2 H 1 1.528 0.020 . 2 . . . . 3 LYS HB2 . 11035 1 35 . 1 1 3 3 LYS HB3 H 1 1.603 0.020 . 2 . . . . 3 LYS HB3 . 11035 1 36 . 1 1 3 3 LYS CG C 13 25.126 0.400 . 1 . . . . 3 LYS CG . 11035 1 37 . 1 1 3 3 LYS HG2 H 1 1.121 0.020 . 2 . . . . 3 LYS HG2 . 11035 1 38 . 1 1 3 3 LYS HG3 H 1 1.213 0.020 . 2 . . . . 3 LYS HG3 . 11035 1 39 . 1 1 3 3 LYS CD C 13 29.321 0.400 . 1 . . . . 3 LYS CD . 11035 1 40 . 1 1 3 3 LYS HD2 H 1 1.476 0.020 . 1 . . . . 3 LYS HD2 . 11035 1 41 . 1 1 3 3 LYS HD3 H 1 1.476 0.020 . 1 . . . . 3 LYS HD3 . 11035 1 42 . 1 1 3 3 LYS CE C 13 41.689 0.400 . 1 . . . . 3 LYS CE . 11035 1 43 . 1 1 3 3 LYS HE2 H 1 2.680 0.020 . 1 . . . . 3 LYS HE2 . 11035 1 44 . 1 1 3 3 LYS HE3 H 1 2.680 0.020 . 1 . . . . 3 LYS HE3 . 11035 1 45 . 1 1 4 4 LEU N N 15 125.273 0.400 . 1 . . . . 4 LEU N . 11035 1 46 . 1 1 4 4 LEU H H 1 9.152 0.020 . 1 . . . . 4 LEU H . 11035 1 47 . 1 1 4 4 LEU CA C 13 52.936 0.400 . 1 . . . . 4 LEU CA . 11035 1 48 . 1 1 4 4 LEU HA H 1 5.060 0.020 . 1 . . . . 4 LEU HA . 11035 1 49 . 1 1 4 4 LEU CB C 13 44.656 0.400 . 1 . . . . 4 LEU CB . 11035 1 50 . 1 1 4 4 LEU HB2 H 1 1.237 0.020 . 2 . . . . 4 LEU HB2 . 11035 1 51 . 1 1 4 4 LEU HB3 H 1 1.294 0.020 . 2 . . . . 4 LEU HB3 . 11035 1 52 . 1 1 4 4 LEU CG C 13 27.811 0.400 . 1 . . . . 4 LEU CG . 11035 1 53 . 1 1 4 4 LEU HG H 1 1.395 0.020 . 1 . . . . 4 LEU HG . 11035 1 54 . 1 1 4 4 LEU HD11 H 1 0.533 0.020 . 1 . . . . 4 LEU HD1 . 11035 1 55 . 1 1 4 4 LEU HD12 H 1 0.533 0.020 . 1 . . . . 4 LEU HD1 . 11035 1 56 . 1 1 4 4 LEU HD13 H 1 0.533 0.020 . 1 . . . . 4 LEU HD1 . 11035 1 57 . 1 1 4 4 LEU HD21 H 1 0.533 0.020 . 1 . . . . 4 LEU HD2 . 11035 1 58 . 1 1 4 4 LEU HD22 H 1 0.533 0.020 . 1 . . . . 4 LEU HD2 . 11035 1 59 . 1 1 4 4 LEU HD23 H 1 0.533 0.020 . 1 . . . . 4 LEU HD2 . 11035 1 60 . 1 1 4 4 LEU CD1 C 13 25.790 0.400 . 1 . . . . 4 LEU CD1 . 11035 1 61 . 1 1 5 5 LYS N N 15 126.328 0.400 . 1 . . . . 5 LYS N . 11035 1 62 . 1 1 5 5 LYS H H 1 9.017 0.020 . 1 . . . . 5 LYS H . 11035 1 63 . 1 1 5 5 LYS CA C 13 55.424 0.400 . 1 . . . . 5 LYS CA . 11035 1 64 . 1 1 5 5 LYS HA H 1 4.629 0.020 . 1 . . . . 5 LYS HA . 11035 1 65 . 1 1 5 5 LYS CB C 13 33.703 0.400 . 1 . . . . 5 LYS CB . 11035 1 66 . 1 1 5 5 LYS HB2 H 1 1.634 0.020 . 2 . . . . 5 LYS HB2 . 11035 1 67 . 1 1 5 5 LYS HB3 H 1 1.771 0.020 . 2 . . . . 5 LYS HB3 . 11035 1 68 . 1 1 5 5 LYS CG C 13 24.844 0.400 . 1 . . . . 5 LYS CG . 11035 1 69 . 1 1 5 5 LYS HG2 H 1 1.278 0.020 . 2 . . . . 5 LYS HG2 . 11035 1 70 . 1 1 5 5 LYS HG3 H 1 1.449 0.020 . 2 . . . . 5 LYS HG3 . 11035 1 71 . 1 1 5 5 LYS CD C 13 29.027 0.400 . 1 . . . . 5 LYS CD . 11035 1 72 . 1 1 5 5 LYS HD2 H 1 1.602 0.020 . 1 . . . . 5 LYS HD2 . 11035 1 73 . 1 1 5 5 LYS HD3 H 1 1.602 0.020 . 1 . . . . 5 LYS HD3 . 11035 1 74 . 1 1 5 5 LYS CE C 13 41.897 0.400 . 1 . . . . 5 LYS CE . 11035 1 75 . 1 1 5 5 LYS HE2 H 1 2.839 0.020 . 1 . . . . 5 LYS HE2 . 11035 1 76 . 1 1 5 5 LYS HE3 H 1 2.839 0.020 . 1 . . . . 5 LYS HE3 . 11035 1 77 . 1 1 6 6 VAL N N 15 128.493 0.400 . 1 . . . . 6 VAL N . 11035 1 78 . 1 1 6 6 VAL H H 1 8.235 0.020 . 1 . . . . 6 VAL H . 11035 1 79 . 1 1 6 6 VAL CA C 13 61.000 0.400 . 1 . . . . 6 VAL CA . 11035 1 80 . 1 1 6 6 VAL HA H 1 4.795 0.020 . 1 . . . . 6 VAL HA . 11035 1 81 . 1 1 6 6 VAL CB C 13 34.340 0.400 . 1 . . . . 6 VAL CB . 11035 1 82 . 1 1 6 6 VAL HB H 1 1.446 0.020 . 1 . . . . 6 VAL HB . 11035 1 83 . 1 1 6 6 VAL CG1 C 13 20.661 0.400 . 1 . . . . 6 VAL CG1 . 11035 1 84 . 1 1 6 6 VAL HG11 H 1 0.578 0.020 . 2 . . . . 6 VAL HG11 . 11035 1 85 . 1 1 6 6 VAL HG12 H 1 0.578 0.020 . 2 . . . . 6 VAL HG12 . 11035 1 86 . 1 1 6 6 VAL HG13 H 1 0.578 0.020 . 2 . . . . 6 VAL HG13 . 11035 1 87 . 1 1 6 6 VAL CG2 C 13 21.307 0.400 . 1 . . . . 6 VAL CG2 . 11035 1 88 . 1 1 6 6 VAL HG21 H 1 0.676 0.020 . 2 . . . . 6 VAL HG21 . 11035 1 89 . 1 1 6 6 VAL HG22 H 1 0.676 0.020 . 2 . . . . 6 VAL HG22 . 11035 1 90 . 1 1 6 6 VAL HG23 H 1 0.676 0.020 . 2 . . . . 6 VAL HG23 . 11035 1 91 . 1 1 7 7 GLU N N 15 130.001 0.400 . 1 . . . . 7 GLU N . 11035 1 92 . 1 1 7 7 GLU H H 1 9.200 0.020 . 1 . . . . 7 GLU H . 11035 1 93 . 1 1 7 7 GLU CA C 13 55.192 0.400 . 1 . . . . 7 GLU CA . 11035 1 94 . 1 1 7 7 GLU HA H 1 4.612 0.020 . 1 . . . . 7 GLU HA . 11035 1 95 . 1 1 7 7 GLU CB C 13 32.557 0.400 . 1 . . . . 7 GLU CB . 11035 1 96 . 1 1 7 7 GLU HB2 H 1 1.768 0.020 . 2 . . . . 7 GLU HB2 . 11035 1 97 . 1 1 7 7 GLU HB3 H 1 1.966 0.020 . 2 . . . . 7 GLU HB3 . 11035 1 98 . 1 1 7 7 GLU CG C 13 36.353 0.400 . 1 . . . . 7 GLU CG . 11035 1 99 . 1 1 7 7 GLU HG2 H 1 2.084 0.020 . 1 . . . . 7 GLU HG2 . 11035 1 100 . 1 1 7 7 GLU HG3 H 1 2.084 0.020 . 1 . . . . 7 GLU HG3 . 11035 1 101 . 1 1 8 8 GLY N N 15 111.393 0.400 . 1 . . . . 8 GLY N . 11035 1 102 . 1 1 8 8 GLY H H 1 8.456 0.020 . 1 . . . . 8 GLY H . 11035 1 103 . 1 1 8 8 GLY CA C 13 44.972 0.400 . 1 . . . . 8 GLY CA . 11035 1 104 . 1 1 8 8 GLY HA2 H 1 3.620 0.020 . 2 . . . . 8 GLY HA2 . 11035 1 105 . 1 1 8 8 GLY HA3 H 1 4.550 0.020 . 2 . . . . 8 GLY HA3 . 11035 1 106 . 1 1 9 9 MET N N 15 121.907 0.400 . 1 . . . . 9 MET N . 11035 1 107 . 1 1 9 9 MET H H 1 8.806 0.020 . 1 . . . . 9 MET H . 11035 1 108 . 1 1 9 9 MET CA C 13 56.688 0.400 . 1 . . . . 9 MET CA . 11035 1 109 . 1 1 9 9 MET HA H 1 4.789 0.020 . 1 . . . . 9 MET HA . 11035 1 110 . 1 1 9 9 MET CB C 13 34.452 0.400 . 1 . . . . 9 MET CB . 11035 1 111 . 1 1 9 9 MET HB2 H 1 1.399 0.020 . 2 . . . . 9 MET HB2 . 11035 1 112 . 1 1 9 9 MET HB3 H 1 2.320 0.020 . 2 . . . . 9 MET HB3 . 11035 1 113 . 1 1 9 9 MET CG C 13 31.375 0.400 . 1 . . . . 9 MET CG . 11035 1 114 . 1 1 9 9 MET HG2 H 1 1.251 0.020 . 2 . . . . 9 MET HG2 . 11035 1 115 . 1 1 9 9 MET HG3 H 1 2.029 0.020 . 2 . . . . 9 MET HG3 . 11035 1 116 . 1 1 9 9 MET CE C 13 15.892 0.400 . 1 . . . . 9 MET CE . 11035 1 117 . 1 1 9 9 MET HE1 H 1 1.671 0.020 . 1 . . . . 9 MET HE1 . 11035 1 118 . 1 1 9 9 MET HE2 H 1 1.671 0.020 . 1 . . . . 9 MET HE2 . 11035 1 119 . 1 1 9 9 MET HE3 H 1 1.671 0.020 . 1 . . . . 9 MET HE3 . 11035 1 120 . 1 1 10 10 THR N N 15 119.271 0.400 . 1 . . . . 10 THR N . 11035 1 121 . 1 1 10 10 THR H H 1 10.544 0.020 . 1 . . . . 10 THR H . 11035 1 122 . 1 1 10 10 THR CA C 13 62.339 0.400 . 1 . . . . 10 THR CA . 11035 1 123 . 1 1 10 10 THR HA H 1 4.504 0.020 . 1 . . . . 10 THR HA . 11035 1 124 . 1 1 10 10 THR CB C 13 71.603 0.400 . 1 . . . . 10 THR CB . 11035 1 125 . 1 1 10 10 THR HB H 1 4.222 0.020 . 1 . . . . 10 THR HB . 11035 1 126 . 1 1 10 10 THR CG2 C 13 21.432 0.400 . 1 . . . . 10 THR CG2 . 11035 1 127 . 1 1 10 10 THR HG21 H 1 1.080 0.020 . 1 . . . . 10 THR HG21 . 11035 1 128 . 1 1 10 10 THR HG22 H 1 1.080 0.020 . 1 . . . . 10 THR HG22 . 11035 1 129 . 1 1 10 10 THR HG23 H 1 1.080 0.020 . 1 . . . . 10 THR HG23 . 11035 1 130 . 1 1 11 11 CYS N N 15 120.435 0.400 . 1 . . . . 11 CYS N . 11035 1 131 . 1 1 11 11 CYS H H 1 8.215 0.020 . 1 . . . . 11 CYS H . 11035 1 132 . 1 1 11 11 CYS CA C 13 56.630 0.400 . 1 . . . . 11 CYS CA . 11035 1 133 . 1 1 11 11 CYS HA H 1 4.997 0.020 . 1 . . . . 11 CYS HA . 11035 1 134 . 1 1 11 11 CYS CB C 13 31.326 0.400 . 1 . . . . 11 CYS CB . 11035 1 135 . 1 1 11 11 CYS HB2 H 1 3.058 0.020 . 2 . . . . 11 CYS HB2 . 11035 1 136 . 1 1 11 11 CYS HB3 H 1 3.279 0.020 . 2 . . . . 11 CYS HB3 . 11035 1 137 . 1 1 12 12 ASN CA C 13 56.438 0.400 . 1 . . . . 12 ASN CA . 11035 1 138 . 1 1 12 12 ASN HA H 1 4.354 0.020 . 1 . . . . 12 ASN HA . 11035 1 139 . 1 1 12 12 ASN CB C 13 37.966 0.400 . 1 . . . . 12 ASN CB . 11035 1 140 . 1 1 12 12 ASN HB2 H 1 2.667 0.020 . 1 . . . . 12 ASN HB2 . 11035 1 141 . 1 1 12 12 ASN HB3 H 1 2.667 0.020 . 1 . . . . 12 ASN HB3 . 11035 1 142 . 1 1 12 12 ASN ND2 N 15 114.480 0.400 . 1 . . . . 12 ASN ND2 . 11035 1 143 . 1 1 12 12 ASN HD21 H 1 6.697 0.020 . 2 . . . . 12 ASN HD21 . 11035 1 144 . 1 1 12 12 ASN HD22 H 1 7.540 0.020 . 2 . . . . 12 ASN HD22 . 11035 1 145 . 1 1 13 13 HIS CA C 13 60.538 0.400 . 1 . . . . 13 HIS CA . 11035 1 146 . 1 1 13 13 HIS HA H 1 4.275 0.020 . 1 . . . . 13 HIS HA . 11035 1 147 . 1 1 13 13 HIS CB C 13 29.522 0.400 . 1 . . . . 13 HIS CB . 11035 1 148 . 1 1 13 13 HIS HB2 H 1 3.193 0.020 . 1 . . . . 13 HIS HB2 . 11035 1 149 . 1 1 13 13 HIS HB3 H 1 3.193 0.020 . 1 . . . . 13 HIS HB3 . 11035 1 150 . 1 1 13 13 HIS CD2 C 13 119.926 0.400 . 1 . . . . 13 HIS CD2 . 11035 1 151 . 1 1 13 13 HIS CE1 C 13 138.317 0.400 . 1 . . . . 13 HIS CE1 . 11035 1 152 . 1 1 13 13 HIS HD2 H 1 7.065 0.020 . 1 . . . . 13 HIS HD2 . 11035 1 153 . 1 1 13 13 HIS HE1 H 1 7.818 0.020 . 1 . . . . 13 HIS HE1 . 11035 1 154 . 1 1 14 14 CYS N N 15 125.220 0.400 . 1 . . . . 14 CYS N . 11035 1 155 . 1 1 14 14 CYS H H 1 7.564 0.020 . 1 . . . . 14 CYS H . 11035 1 156 . 1 1 14 14 CYS CA C 13 62.825 0.400 . 1 . . . . 14 CYS CA . 11035 1 157 . 1 1 14 14 CYS HA H 1 3.990 0.020 . 1 . . . . 14 CYS HA . 11035 1 158 . 1 1 14 14 CYS CB C 13 29.462 0.400 . 1 . . . . 14 CYS CB . 11035 1 159 . 1 1 14 14 CYS HB2 H 1 2.595 0.020 . 2 . . . . 14 CYS HB2 . 11035 1 160 . 1 1 14 14 CYS HB3 H 1 3.229 0.020 . 2 . . . . 14 CYS HB3 . 11035 1 161 . 1 1 15 15 VAL N N 15 119.161 0.400 . 1 . . . . 15 VAL N . 11035 1 162 . 1 1 15 15 VAL H H 1 6.974 0.020 . 1 . . . . 15 VAL H . 11035 1 163 . 1 1 15 15 VAL CA C 13 65.883 0.400 . 1 . . . . 15 VAL CA . 11035 1 164 . 1 1 15 15 VAL HA H 1 3.250 0.020 . 1 . . . . 15 VAL HA . 11035 1 165 . 1 1 15 15 VAL CB C 13 31.503 0.400 . 1 . . . . 15 VAL CB . 11035 1 166 . 1 1 15 15 VAL HB H 1 2.221 0.020 . 1 . . . . 15 VAL HB . 11035 1 167 . 1 1 15 15 VAL CG1 C 13 20.861 0.400 . 1 . . . . 15 VAL CG1 . 11035 1 168 . 1 1 15 15 VAL HG11 H 1 0.693 0.020 . 2 . . . . 15 VAL HG11 . 11035 1 169 . 1 1 15 15 VAL HG12 H 1 0.693 0.020 . 2 . . . . 15 VAL HG12 . 11035 1 170 . 1 1 15 15 VAL HG13 H 1 0.693 0.020 . 2 . . . . 15 VAL HG13 . 11035 1 171 . 1 1 15 15 VAL CG2 C 13 23.986 0.400 . 1 . . . . 15 VAL CG2 . 11035 1 172 . 1 1 15 15 VAL HG21 H 1 0.919 0.020 . 2 . . . . 15 VAL HG21 . 11035 1 173 . 1 1 15 15 VAL HG22 H 1 0.919 0.020 . 2 . . . . 15 VAL HG22 . 11035 1 174 . 1 1 15 15 VAL HG23 H 1 0.919 0.020 . 2 . . . . 15 VAL HG23 . 11035 1 175 . 1 1 16 16 MET N N 15 123.273 0.400 . 1 . . . . 16 MET N . 11035 1 176 . 1 1 16 16 MET H H 1 8.029 0.020 . 1 . . . . 16 MET H . 11035 1 177 . 1 1 16 16 MET CA C 13 58.405 0.400 . 1 . . . . 16 MET CA . 11035 1 178 . 1 1 16 16 MET HA H 1 4.025 0.020 . 1 . . . . 16 MET HA . 11035 1 179 . 1 1 16 16 MET CB C 13 31.839 0.400 . 1 . . . . 16 MET CB . 11035 1 180 . 1 1 16 16 MET HB2 H 1 1.989 0.020 . 2 . . . . 16 MET HB2 . 11035 1 181 . 1 1 16 16 MET HB3 H 1 2.074 0.020 . 2 . . . . 16 MET HB3 . 11035 1 182 . 1 1 16 16 MET CG C 13 31.841 0.400 . 1 . . . . 16 MET CG . 11035 1 183 . 1 1 16 16 MET HG2 H 1 2.451 0.020 . 2 . . . . 16 MET HG2 . 11035 1 184 . 1 1 16 16 MET HG3 H 1 2.592 0.020 . 2 . . . . 16 MET HG3 . 11035 1 185 . 1 1 16 16 MET CE C 13 16.750 0.400 . 1 . . . . 16 MET CE . 11035 1 186 . 1 1 16 16 MET HE1 H 1 1.940 0.020 . 1 . . . . 16 MET HE1 . 11035 1 187 . 1 1 16 16 MET HE2 H 1 1.940 0.020 . 1 . . . . 16 MET HE2 . 11035 1 188 . 1 1 16 16 MET HE3 H 1 1.940 0.020 . 1 . . . . 16 MET HE3 . 11035 1 189 . 1 1 17 17 ALA N N 15 125.852 0.400 . 1 . . . . 17 ALA N . 11035 1 190 . 1 1 17 17 ALA H H 1 8.029 0.020 . 1 . . . . 17 ALA H . 11035 1 191 . 1 1 17 17 ALA CA C 13 55.393 0.400 . 1 . . . . 17 ALA CA . 11035 1 192 . 1 1 17 17 ALA HA H 1 3.954 0.020 . 1 . . . . 17 ALA HA . 11035 1 193 . 1 1 17 17 ALA CB C 13 18.166 0.400 . 1 . . . . 17 ALA CB . 11035 1 194 . 1 1 17 17 ALA HB1 H 1 1.505 0.020 . 1 . . . . 17 ALA HB1 . 11035 1 195 . 1 1 17 17 ALA HB2 H 1 1.505 0.020 . 1 . . . . 17 ALA HB2 . 11035 1 196 . 1 1 17 17 ALA HB3 H 1 1.505 0.020 . 1 . . . . 17 ALA HB3 . 11035 1 197 . 1 1 18 18 VAL N N 15 120.843 0.400 . 1 . . . . 18 VAL N . 11035 1 198 . 1 1 18 18 VAL H H 1 8.288 0.020 . 1 . . . . 18 VAL H . 11035 1 199 . 1 1 18 18 VAL CA C 13 67.191 0.400 . 1 . . . . 18 VAL CA . 11035 1 200 . 1 1 18 18 VAL HA H 1 3.175 0.020 . 1 . . . . 18 VAL HA . 11035 1 201 . 1 1 18 18 VAL CB C 13 31.878 0.400 . 1 . . . . 18 VAL CB . 11035 1 202 . 1 1 18 18 VAL HB H 1 1.741 0.020 . 1 . . . . 18 VAL HB . 11035 1 203 . 1 1 18 18 VAL CG1 C 13 24.242 0.400 . 1 . . . . 18 VAL CG1 . 11035 1 204 . 1 1 18 18 VAL HG11 H 1 0.353 0.020 . 2 . . . . 18 VAL HG11 . 11035 1 205 . 1 1 18 18 VAL HG12 H 1 0.353 0.020 . 2 . . . . 18 VAL HG12 . 11035 1 206 . 1 1 18 18 VAL HG13 H 1 0.353 0.020 . 2 . . . . 18 VAL HG13 . 11035 1 207 . 1 1 18 18 VAL CG2 C 13 21.602 0.400 . 1 . . . . 18 VAL CG2 . 11035 1 208 . 1 1 18 18 VAL HG21 H 1 0.581 0.020 . 2 . . . . 18 VAL HG21 . 11035 1 209 . 1 1 18 18 VAL HG22 H 1 0.581 0.020 . 2 . . . . 18 VAL HG22 . 11035 1 210 . 1 1 18 18 VAL HG23 H 1 0.581 0.020 . 2 . . . . 18 VAL HG23 . 11035 1 211 . 1 1 19 19 THR N N 15 117.806 0.400 . 1 . . . . 19 THR N . 11035 1 212 . 1 1 19 19 THR H H 1 8.038 0.020 . 1 . . . . 19 THR H . 11035 1 213 . 1 1 19 19 THR CA C 13 68.002 0.400 . 1 . . . . 19 THR CA . 11035 1 214 . 1 1 19 19 THR HA H 1 3.417 0.020 . 1 . . . . 19 THR HA . 11035 1 215 . 1 1 19 19 THR CB C 13 68.586 0.400 . 1 . . . . 19 THR CB . 11035 1 216 . 1 1 19 19 THR HB H 1 4.183 0.020 . 1 . . . . 19 THR HB . 11035 1 217 . 1 1 19 19 THR CG2 C 13 20.620 0.400 . 1 . . . . 19 THR CG2 . 11035 1 218 . 1 1 19 19 THR HG21 H 1 0.992 0.020 . 1 . . . . 19 THR HG21 . 11035 1 219 . 1 1 19 19 THR HG22 H 1 0.992 0.020 . 1 . . . . 19 THR HG22 . 11035 1 220 . 1 1 19 19 THR HG23 H 1 0.992 0.020 . 1 . . . . 19 THR HG23 . 11035 1 221 . 1 1 20 20 LYS N N 15 121.354 0.400 . 1 . . . . 20 LYS N . 11035 1 222 . 1 1 20 20 LYS H H 1 7.951 0.020 . 1 . . . . 20 LYS H . 11035 1 223 . 1 1 20 20 LYS CA C 13 59.697 0.400 . 1 . . . . 20 LYS CA . 11035 1 224 . 1 1 20 20 LYS HA H 1 3.638 0.020 . 1 . . . . 20 LYS HA . 11035 1 225 . 1 1 20 20 LYS CB C 13 32.308 0.400 . 1 . . . . 20 LYS CB . 11035 1 226 . 1 1 20 20 LYS HB2 H 1 1.701 0.020 . 1 . . . . 20 LYS HB2 . 11035 1 227 . 1 1 20 20 LYS HB3 H 1 1.701 0.020 . 1 . . . . 20 LYS HB3 . 11035 1 228 . 1 1 20 20 LYS CG C 13 25.074 0.400 . 1 . . . . 20 LYS CG . 11035 1 229 . 1 1 20 20 LYS HG2 H 1 1.213 0.020 . 2 . . . . 20 LYS HG2 . 11035 1 230 . 1 1 20 20 LYS HG3 H 1 1.469 0.020 . 2 . . . . 20 LYS HG3 . 11035 1 231 . 1 1 20 20 LYS CD C 13 29.317 0.400 . 1 . . . . 20 LYS CD . 11035 1 232 . 1 1 20 20 LYS HD2 H 1 1.512 0.020 . 1 . . . . 20 LYS HD2 . 11035 1 233 . 1 1 20 20 LYS HD3 H 1 1.512 0.020 . 1 . . . . 20 LYS HD3 . 11035 1 234 . 1 1 20 20 LYS CE C 13 41.921 0.400 . 1 . . . . 20 LYS CE . 11035 1 235 . 1 1 20 20 LYS HE2 H 1 2.801 0.020 . 1 . . . . 20 LYS HE2 . 11035 1 236 . 1 1 20 20 LYS HE3 H 1 2.801 0.020 . 1 . . . . 20 LYS HE3 . 11035 1 237 . 1 1 21 21 ALA N N 15 121.997 0.400 . 1 . . . . 21 ALA N . 11035 1 238 . 1 1 21 21 ALA H H 1 7.627 0.020 . 1 . . . . 21 ALA H . 11035 1 239 . 1 1 21 21 ALA CA C 13 54.635 0.400 . 1 . . . . 21 ALA CA . 11035 1 240 . 1 1 21 21 ALA HA H 1 3.907 0.020 . 1 . . . . 21 ALA HA . 11035 1 241 . 1 1 21 21 ALA CB C 13 18.379 0.400 . 1 . . . . 21 ALA CB . 11035 1 242 . 1 1 21 21 ALA HB1 H 1 1.282 0.020 . 1 . . . . 21 ALA HB1 . 11035 1 243 . 1 1 21 21 ALA HB2 H 1 1.282 0.020 . 1 . . . . 21 ALA HB2 . 11035 1 244 . 1 1 21 21 ALA HB3 H 1 1.282 0.020 . 1 . . . . 21 ALA HB3 . 11035 1 245 . 1 1 22 22 LEU N N 15 117.541 0.400 . 1 . . . . 22 LEU N . 11035 1 246 . 1 1 22 22 LEU H H 1 7.746 0.020 . 1 . . . . 22 LEU H . 11035 1 247 . 1 1 22 22 LEU CA C 13 57.343 0.400 . 1 . . . . 22 LEU CA . 11035 1 248 . 1 1 22 22 LEU HA H 1 3.810 0.020 . 1 . . . . 22 LEU HA . 11035 1 249 . 1 1 22 22 LEU CB C 13 43.131 0.400 . 1 . . . . 22 LEU CB . 11035 1 250 . 1 1 22 22 LEU HB2 H 1 0.908 0.020 . 2 . . . . 22 LEU HB2 . 11035 1 251 . 1 1 22 22 LEU HB3 H 1 1.828 0.020 . 2 . . . . 22 LEU HB3 . 11035 1 252 . 1 1 22 22 LEU CG C 13 26.816 0.400 . 1 . . . . 22 LEU CG . 11035 1 253 . 1 1 22 22 LEU HG H 1 1.572 0.020 . 1 . . . . 22 LEU HG . 11035 1 254 . 1 1 22 22 LEU CD1 C 13 26.595 0.400 . 1 . . . . 22 LEU CD1 . 11035 1 255 . 1 1 22 22 LEU HD11 H 1 0.327 0.020 . 2 . . . . 22 LEU HD11 . 11035 1 256 . 1 1 22 22 LEU HD12 H 1 0.327 0.020 . 2 . . . . 22 LEU HD12 . 11035 1 257 . 1 1 22 22 LEU HD13 H 1 0.327 0.020 . 2 . . . . 22 LEU HD13 . 11035 1 258 . 1 1 22 22 LEU CD2 C 13 25.110 0.400 . 1 . . . . 22 LEU CD2 . 11035 1 259 . 1 1 22 22 LEU HD21 H 1 0.609 0.020 . 2 . . . . 22 LEU HD21 . 11035 1 260 . 1 1 22 22 LEU HD22 H 1 0.609 0.020 . 2 . . . . 22 LEU HD22 . 11035 1 261 . 1 1 22 22 LEU HD23 H 1 0.609 0.020 . 2 . . . . 22 LEU HD23 . 11035 1 262 . 1 1 23 23 LYS N N 15 116.467 0.400 . 1 . . . . 23 LYS N . 11035 1 263 . 1 1 23 23 LYS H H 1 7.854 0.020 . 1 . . . . 23 LYS H . 11035 1 264 . 1 1 23 23 LYS CA C 13 58.456 0.400 . 1 . . . . 23 LYS CA . 11035 1 265 . 1 1 23 23 LYS HA H 1 3.638 0.020 . 1 . . . . 23 LYS HA . 11035 1 266 . 1 1 23 23 LYS CB C 13 32.251 0.400 . 1 . . . . 23 LYS CB . 11035 1 267 . 1 1 23 23 LYS HB2 H 1 1.704 0.020 . 1 . . . . 23 LYS HB2 . 11035 1 268 . 1 1 23 23 LYS HB3 H 1 1.704 0.020 . 1 . . . . 23 LYS HB3 . 11035 1 269 . 1 1 23 23 LYS CG C 13 26.275 0.400 . 1 . . . . 23 LYS CG . 11035 1 270 . 1 1 23 23 LYS HG2 H 1 1.197 0.020 . 2 . . . . 23 LYS HG2 . 11035 1 271 . 1 1 23 23 LYS HG3 H 1 1.512 0.020 . 2 . . . . 23 LYS HG3 . 11035 1 272 . 1 1 23 23 LYS CD C 13 29.193 0.400 . 1 . . . . 23 LYS CD . 11035 1 273 . 1 1 23 23 LYS HD2 H 1 1.481 0.020 . 1 . . . . 23 LYS HD2 . 11035 1 274 . 1 1 23 23 LYS HD3 H 1 1.481 0.020 . 1 . . . . 23 LYS HD3 . 11035 1 275 . 1 1 23 23 LYS CE C 13 41.699 0.400 . 1 . . . . 23 LYS CE . 11035 1 276 . 1 1 23 23 LYS HE2 H 1 2.760 0.020 . 2 . . . . 23 LYS HE2 . 11035 1 277 . 1 1 23 23 LYS HE3 H 1 2.811 0.020 . 2 . . . . 23 LYS HE3 . 11035 1 278 . 1 1 24 24 LYS N N 15 116.735 0.400 . 1 . . . . 24 LYS N . 11035 1 279 . 1 1 24 24 LYS H H 1 6.864 0.020 . 1 . . . . 24 LYS H . 11035 1 280 . 1 1 24 24 LYS CA C 13 56.490 0.400 . 1 . . . . 24 LYS CA . 11035 1 281 . 1 1 24 24 LYS HA H 1 4.076 0.020 . 1 . . . . 24 LYS HA . 11035 1 282 . 1 1 24 24 LYS CB C 13 32.903 0.400 . 1 . . . . 24 LYS CB . 11035 1 283 . 1 1 24 24 LYS HB2 H 1 1.772 0.020 . 1 . . . . 24 LYS HB2 . 11035 1 284 . 1 1 24 24 LYS HB3 H 1 1.772 0.020 . 1 . . . . 24 LYS HB3 . 11035 1 285 . 1 1 24 24 LYS CG C 13 24.720 0.400 . 1 . . . . 24 LYS CG . 11035 1 286 . 1 1 24 24 LYS HG2 H 1 1.447 0.020 . 1 . . . . 24 LYS HG2 . 11035 1 287 . 1 1 24 24 LYS HG3 H 1 1.447 0.020 . 1 . . . . 24 LYS HG3 . 11035 1 288 . 1 1 24 24 LYS CD C 13 29.298 0.400 . 1 . . . . 24 LYS CD . 11035 1 289 . 1 1 24 24 LYS HD2 H 1 1.546 0.020 . 1 . . . . 24 LYS HD2 . 11035 1 290 . 1 1 24 24 LYS HD3 H 1 1.546 0.020 . 1 . . . . 24 LYS HD3 . 11035 1 291 . 1 1 24 24 LYS CE C 13 42.054 0.400 . 1 . . . . 24 LYS CE . 11035 1 292 . 1 1 24 24 LYS HE2 H 1 2.840 0.020 . 1 . . . . 24 LYS HE2 . 11035 1 293 . 1 1 24 24 LYS HE3 H 1 2.840 0.020 . 1 . . . . 24 LYS HE3 . 11035 1 294 . 1 1 25 25 VAL N N 15 127.107 0.400 . 1 . . . . 25 VAL N . 11035 1 295 . 1 1 25 25 VAL H H 1 7.330 0.020 . 1 . . . . 25 VAL H . 11035 1 296 . 1 1 25 25 VAL CA C 13 61.070 0.400 . 1 . . . . 25 VAL CA . 11035 1 297 . 1 1 25 25 VAL HA H 1 3.965 0.020 . 1 . . . . 25 VAL HA . 11035 1 298 . 1 1 25 25 VAL CB C 13 31.854 0.400 . 1 . . . . 25 VAL CB . 11035 1 299 . 1 1 25 25 VAL HB H 1 2.076 0.020 . 1 . . . . 25 VAL HB . 11035 1 300 . 1 1 25 25 VAL CG1 C 13 21.130 0.400 . 1 . . . . 25 VAL CG1 . 11035 1 301 . 1 1 25 25 VAL HG11 H 1 0.792 0.020 . 2 . . . . 25 VAL HG11 . 11035 1 302 . 1 1 25 25 VAL HG12 H 1 0.792 0.020 . 2 . . . . 25 VAL HG12 . 11035 1 303 . 1 1 25 25 VAL HG13 H 1 0.792 0.020 . 2 . . . . 25 VAL HG13 . 11035 1 304 . 1 1 25 25 VAL CG2 C 13 23.044 0.400 . 1 . . . . 25 VAL CG2 . 11035 1 305 . 1 1 25 25 VAL HG21 H 1 0.897 0.020 . 2 . . . . 25 VAL HG21 . 11035 1 306 . 1 1 25 25 VAL HG22 H 1 0.897 0.020 . 2 . . . . 25 VAL HG22 . 11035 1 307 . 1 1 25 25 VAL HG23 H 1 0.897 0.020 . 2 . . . . 25 VAL HG23 . 11035 1 308 . 1 1 26 26 PRO CD C 13 51.392 0.400 . 1 . . . . 26 PRO CD . 11035 1 309 . 1 1 26 26 PRO CA C 13 64.182 0.400 . 1 . . . . 26 PRO CA . 11035 1 310 . 1 1 26 26 PRO HA H 1 4.100 0.020 . 1 . . . . 26 PRO HA . 11035 1 311 . 1 1 26 26 PRO CB C 13 31.807 0.400 . 1 . . . . 26 PRO CB . 11035 1 312 . 1 1 26 26 PRO HB2 H 1 1.705 0.020 . 2 . . . . 26 PRO HB2 . 11035 1 313 . 1 1 26 26 PRO HB3 H 1 2.181 0.020 . 2 . . . . 26 PRO HB3 . 11035 1 314 . 1 1 26 26 PRO CG C 13 27.745 0.400 . 1 . . . . 26 PRO CG . 11035 1 315 . 1 1 26 26 PRO HG2 H 1 1.869 0.020 . 2 . . . . 26 PRO HG2 . 11035 1 316 . 1 1 26 26 PRO HG3 H 1 1.998 0.020 . 2 . . . . 26 PRO HG3 . 11035 1 317 . 1 1 26 26 PRO HD2 H 1 3.511 0.020 . 2 . . . . 26 PRO HD2 . 11035 1 318 . 1 1 26 26 PRO HD3 H 1 3.986 0.020 . 2 . . . . 26 PRO HD3 . 11035 1 319 . 1 1 27 27 GLY N N 15 112.561 0.400 . 1 . . . . 27 GLY N . 11035 1 320 . 1 1 27 27 GLY H H 1 8.357 0.020 . 1 . . . . 27 GLY H . 11035 1 321 . 1 1 27 27 GLY CA C 13 44.619 0.400 . 1 . . . . 27 GLY CA . 11035 1 322 . 1 1 27 27 GLY HA2 H 1 3.354 0.020 . 2 . . . . 27 GLY HA2 . 11035 1 323 . 1 1 27 27 GLY HA3 H 1 4.098 0.020 . 2 . . . . 27 GLY HA3 . 11035 1 324 . 1 1 28 28 VAL N N 15 123.063 0.400 . 1 . . . . 28 VAL N . 11035 1 325 . 1 1 28 28 VAL H H 1 7.440 0.020 . 1 . . . . 28 VAL H . 11035 1 326 . 1 1 28 28 VAL CA C 13 64.960 0.400 . 1 . . . . 28 VAL CA . 11035 1 327 . 1 1 28 28 VAL HA H 1 3.557 0.020 . 1 . . . . 28 VAL HA . 11035 1 328 . 1 1 28 28 VAL CB C 13 31.838 0.400 . 1 . . . . 28 VAL CB . 11035 1 329 . 1 1 28 28 VAL HB H 1 1.960 0.020 . 1 . . . . 28 VAL HB . 11035 1 330 . 1 1 28 28 VAL CG1 C 13 22.412 0.400 . 1 . . . . 28 VAL CG1 . 11035 1 331 . 1 1 28 28 VAL HG11 H 1 0.559 0.020 . 2 . . . . 28 VAL HG11 . 11035 1 332 . 1 1 28 28 VAL HG12 H 1 0.559 0.020 . 2 . . . . 28 VAL HG12 . 11035 1 333 . 1 1 28 28 VAL HG13 H 1 0.559 0.020 . 2 . . . . 28 VAL HG13 . 11035 1 334 . 1 1 28 28 VAL CG2 C 13 24.863 0.400 . 1 . . . . 28 VAL CG2 . 11035 1 335 . 1 1 28 28 VAL HG21 H 1 0.715 0.020 . 2 . . . . 28 VAL HG21 . 11035 1 336 . 1 1 28 28 VAL HG22 H 1 0.715 0.020 . 2 . . . . 28 VAL HG22 . 11035 1 337 . 1 1 28 28 VAL HG23 H 1 0.715 0.020 . 2 . . . . 28 VAL HG23 . 11035 1 338 . 1 1 29 29 GLU N N 15 130.280 0.400 . 1 . . . . 29 GLU N . 11035 1 339 . 1 1 29 29 GLU H H 1 8.984 0.020 . 1 . . . . 29 GLU H . 11035 1 340 . 1 1 29 29 GLU CA C 13 56.659 0.400 . 1 . . . . 29 GLU CA . 11035 1 341 . 1 1 29 29 GLU HA H 1 4.356 0.020 . 1 . . . . 29 GLU HA . 11035 1 342 . 1 1 29 29 GLU CB C 13 31.585 0.400 . 1 . . . . 29 GLU CB . 11035 1 343 . 1 1 29 29 GLU HB2 H 1 1.556 0.020 . 2 . . . . 29 GLU HB2 . 11035 1 344 . 1 1 29 29 GLU HB3 H 1 1.897 0.020 . 2 . . . . 29 GLU HB3 . 11035 1 345 . 1 1 29 29 GLU CG C 13 35.890 0.400 . 1 . . . . 29 GLU CG . 11035 1 346 . 1 1 29 29 GLU HG2 H 1 2.089 0.020 . 2 . . . . 29 GLU HG2 . 11035 1 347 . 1 1 29 29 GLU HG3 H 1 2.185 0.020 . 2 . . . . 29 GLU HG3 . 11035 1 348 . 1 1 30 30 LYS N N 15 120.184 0.400 . 1 . . . . 30 LYS N . 11035 1 349 . 1 1 30 30 LYS H H 1 7.498 0.020 . 1 . . . . 30 LYS H . 11035 1 350 . 1 1 30 30 LYS CA C 13 55.917 0.400 . 1 . . . . 30 LYS CA . 11035 1 351 . 1 1 30 30 LYS HA H 1 4.399 0.020 . 1 . . . . 30 LYS HA . 11035 1 352 . 1 1 30 30 LYS CB C 13 36.325 0.400 . 1 . . . . 30 LYS CB . 11035 1 353 . 1 1 30 30 LYS HB2 H 1 1.607 0.020 . 1 . . . . 30 LYS HB2 . 11035 1 354 . 1 1 30 30 LYS HB3 H 1 1.607 0.020 . 1 . . . . 30 LYS HB3 . 11035 1 355 . 1 1 30 30 LYS CG C 13 24.980 0.400 . 1 . . . . 30 LYS CG . 11035 1 356 . 1 1 30 30 LYS HG2 H 1 1.192 0.020 . 2 . . . . 30 LYS HG2 . 11035 1 357 . 1 1 30 30 LYS HG3 H 1 1.277 0.020 . 2 . . . . 30 LYS HG3 . 11035 1 358 . 1 1 30 30 LYS CD C 13 29.167 0.400 . 1 . . . . 30 LYS CD . 11035 1 359 . 1 1 30 30 LYS HD2 H 1 1.502 0.020 . 1 . . . . 30 LYS HD2 . 11035 1 360 . 1 1 30 30 LYS HD3 H 1 1.502 0.020 . 1 . . . . 30 LYS HD3 . 11035 1 361 . 1 1 30 30 LYS CE C 13 41.977 0.400 . 1 . . . . 30 LYS CE . 11035 1 362 . 1 1 30 30 LYS HE2 H 1 2.773 0.020 . 1 . . . . 30 LYS HE2 . 11035 1 363 . 1 1 30 30 LYS HE3 H 1 2.773 0.020 . 1 . . . . 30 LYS HE3 . 11035 1 364 . 1 1 31 31 VAL N N 15 123.215 0.400 . 1 . . . . 31 VAL N . 11035 1 365 . 1 1 31 31 VAL H H 1 8.352 0.020 . 1 . . . . 31 VAL H . 11035 1 366 . 1 1 31 31 VAL CA C 13 60.294 0.400 . 1 . . . . 31 VAL CA . 11035 1 367 . 1 1 31 31 VAL HA H 1 4.935 0.020 . 1 . . . . 31 VAL HA . 11035 1 368 . 1 1 31 31 VAL CB C 13 35.730 0.400 . 1 . . . . 31 VAL CB . 11035 1 369 . 1 1 31 31 VAL HB H 1 1.689 0.020 . 1 . . . . 31 VAL HB . 11035 1 370 . 1 1 31 31 VAL CG1 C 13 22.950 0.400 . 1 . . . . 31 VAL CG1 . 11035 1 371 . 1 1 31 31 VAL HG11 H 1 0.701 0.020 . 2 . . . . 31 VAL HG11 . 11035 1 372 . 1 1 31 31 VAL HG12 H 1 0.701 0.020 . 2 . . . . 31 VAL HG12 . 11035 1 373 . 1 1 31 31 VAL HG13 H 1 0.701 0.020 . 2 . . . . 31 VAL HG13 . 11035 1 374 . 1 1 31 31 VAL CG2 C 13 22.409 0.400 . 1 . . . . 31 VAL CG2 . 11035 1 375 . 1 1 31 31 VAL HG21 H 1 0.767 0.020 . 2 . . . . 31 VAL HG21 . 11035 1 376 . 1 1 31 31 VAL HG22 H 1 0.767 0.020 . 2 . . . . 31 VAL HG22 . 11035 1 377 . 1 1 31 31 VAL HG23 H 1 0.767 0.020 . 2 . . . . 31 VAL HG23 . 11035 1 378 . 1 1 32 32 GLU N N 15 127.495 0.400 . 1 . . . . 32 GLU N . 11035 1 379 . 1 1 32 32 GLU H H 1 8.552 0.020 . 1 . . . . 32 GLU H . 11035 1 380 . 1 1 32 32 GLU CA C 13 55.504 0.400 . 1 . . . . 32 GLU CA . 11035 1 381 . 1 1 32 32 GLU HA H 1 4.508 0.020 . 1 . . . . 32 GLU HA . 11035 1 382 . 1 1 32 32 GLU CB C 13 33.084 0.400 . 1 . . . . 32 GLU CB . 11035 1 383 . 1 1 32 32 GLU HB2 H 1 1.774 0.020 . 2 . . . . 32 GLU HB2 . 11035 1 384 . 1 1 32 32 GLU HB3 H 1 1.854 0.020 . 2 . . . . 32 GLU HB3 . 11035 1 385 . 1 1 32 32 GLU CG C 13 35.978 0.400 . 1 . . . . 32 GLU CG . 11035 1 386 . 1 1 32 32 GLU HG2 H 1 1.996 0.020 . 1 . . . . 32 GLU HG2 . 11035 1 387 . 1 1 32 32 GLU HG3 H 1 1.996 0.020 . 1 . . . . 32 GLU HG3 . 11035 1 388 . 1 1 33 33 VAL N N 15 128.558 0.400 . 1 . . . . 33 VAL N . 11035 1 389 . 1 1 33 33 VAL H H 1 8.708 0.020 . 1 . . . . 33 VAL H . 11035 1 390 . 1 1 33 33 VAL CA C 13 61.421 0.400 . 1 . . . . 33 VAL CA . 11035 1 391 . 1 1 33 33 VAL HA H 1 4.448 0.020 . 1 . . . . 33 VAL HA . 11035 1 392 . 1 1 33 33 VAL CB C 13 33.318 0.400 . 1 . . . . 33 VAL CB . 11035 1 393 . 1 1 33 33 VAL HB H 1 1.684 0.020 . 1 . . . . 33 VAL HB . 11035 1 394 . 1 1 33 33 VAL HG11 H 1 0.600 0.020 . 1 . . . . 33 VAL HG1 . 11035 1 395 . 1 1 33 33 VAL HG12 H 1 0.600 0.020 . 1 . . . . 33 VAL HG1 . 11035 1 396 . 1 1 33 33 VAL HG13 H 1 0.600 0.020 . 1 . . . . 33 VAL HG1 . 11035 1 397 . 1 1 33 33 VAL HG21 H 1 0.600 0.020 . 1 . . . . 33 VAL HG2 . 11035 1 398 . 1 1 33 33 VAL HG22 H 1 0.600 0.020 . 1 . . . . 33 VAL HG2 . 11035 1 399 . 1 1 33 33 VAL HG23 H 1 0.600 0.020 . 1 . . . . 33 VAL HG2 . 11035 1 400 . 1 1 33 33 VAL CG1 C 13 22.305 0.400 . 1 . . . . 33 VAL CG1 . 11035 1 401 . 1 1 34 34 SER N N 15 122.076 0.400 . 1 . . . . 34 SER N . 11035 1 402 . 1 1 34 34 SER H H 1 8.518 0.020 . 1 . . . . 34 SER H . 11035 1 403 . 1 1 34 34 SER CA C 13 54.957 0.400 . 1 . . . . 34 SER CA . 11035 1 404 . 1 1 34 34 SER HA H 1 4.729 0.020 . 1 . . . . 34 SER HA . 11035 1 405 . 1 1 34 34 SER CB C 13 64.214 0.400 . 1 . . . . 34 SER CB . 11035 1 406 . 1 1 34 34 SER HB2 H 1 3.556 0.020 . 2 . . . . 34 SER HB2 . 11035 1 407 . 1 1 34 34 SER HB3 H 1 3.805 0.020 . 2 . . . . 34 SER HB3 . 11035 1 408 . 1 1 35 35 LEU N N 15 133.530 0.400 . 1 . . . . 35 LEU N . 11035 1 409 . 1 1 35 35 LEU H H 1 8.961 0.020 . 1 . . . . 35 LEU H . 11035 1 410 . 1 1 35 35 LEU CA C 13 57.716 0.400 . 1 . . . . 35 LEU CA . 11035 1 411 . 1 1 35 35 LEU HA H 1 3.792 0.020 . 1 . . . . 35 LEU HA . 11035 1 412 . 1 1 35 35 LEU CB C 13 41.702 0.400 . 1 . . . . 35 LEU CB . 11035 1 413 . 1 1 35 35 LEU HB2 H 1 1.298 0.020 . 2 . . . . 35 LEU HB2 . 11035 1 414 . 1 1 35 35 LEU HB3 H 1 1.605 0.020 . 2 . . . . 35 LEU HB3 . 11035 1 415 . 1 1 35 35 LEU CG C 13 26.407 0.400 . 1 . . . . 35 LEU CG . 11035 1 416 . 1 1 35 35 LEU HG H 1 1.289 0.020 . 1 . . . . 35 LEU HG . 11035 1 417 . 1 1 35 35 LEU CD1 C 13 23.442 0.400 . 1 . . . . 35 LEU CD1 . 11035 1 418 . 1 1 35 35 LEU HD11 H 1 0.484 0.020 . 2 . . . . 35 LEU HD11 . 11035 1 419 . 1 1 35 35 LEU HD12 H 1 0.484 0.020 . 2 . . . . 35 LEU HD12 . 11035 1 420 . 1 1 35 35 LEU HD13 H 1 0.484 0.020 . 2 . . . . 35 LEU HD13 . 11035 1 421 . 1 1 35 35 LEU CD2 C 13 25.336 0.400 . 1 . . . . 35 LEU CD2 . 11035 1 422 . 1 1 35 35 LEU HD21 H 1 0.580 0.020 . 2 . . . . 35 LEU HD21 . 11035 1 423 . 1 1 35 35 LEU HD22 H 1 0.580 0.020 . 2 . . . . 35 LEU HD22 . 11035 1 424 . 1 1 35 35 LEU HD23 H 1 0.580 0.020 . 2 . . . . 35 LEU HD23 . 11035 1 425 . 1 1 36 36 GLU N N 15 119.894 0.400 . 1 . . . . 36 GLU N . 11035 1 426 . 1 1 36 36 GLU H H 1 8.664 0.020 . 1 . . . . 36 GLU H . 11035 1 427 . 1 1 36 36 GLU CA C 13 59.699 0.400 . 1 . . . . 36 GLU CA . 11035 1 428 . 1 1 36 36 GLU HA H 1 3.781 0.020 . 1 . . . . 36 GLU HA . 11035 1 429 . 1 1 36 36 GLU CB C 13 29.301 0.400 . 1 . . . . 36 GLU CB . 11035 1 430 . 1 1 36 36 GLU HB2 H 1 1.738 0.020 . 2 . . . . 36 GLU HB2 . 11035 1 431 . 1 1 36 36 GLU HB3 H 1 1.859 0.020 . 2 . . . . 36 GLU HB3 . 11035 1 432 . 1 1 36 36 GLU CG C 13 36.450 0.400 . 1 . . . . 36 GLU CG . 11035 1 433 . 1 1 36 36 GLU HG2 H 1 2.134 0.020 . 1 . . . . 36 GLU HG2 . 11035 1 434 . 1 1 36 36 GLU HG3 H 1 2.134 0.020 . 1 . . . . 36 GLU HG3 . 11035 1 435 . 1 1 37 37 LYS N N 15 115.453 0.400 . 1 . . . . 37 LYS N . 11035 1 436 . 1 1 37 37 LYS H H 1 7.626 0.020 . 1 . . . . 37 LYS H . 11035 1 437 . 1 1 37 37 LYS CA C 13 55.929 0.400 . 1 . . . . 37 LYS CA . 11035 1 438 . 1 1 37 37 LYS HA H 1 4.143 0.020 . 1 . . . . 37 LYS HA . 11035 1 439 . 1 1 37 37 LYS CB C 13 33.440 0.400 . 1 . . . . 37 LYS CB . 11035 1 440 . 1 1 37 37 LYS HB2 H 1 1.306 0.020 . 2 . . . . 37 LYS HB2 . 11035 1 441 . 1 1 37 37 LYS HB3 H 1 1.677 0.020 . 2 . . . . 37 LYS HB3 . 11035 1 442 . 1 1 37 37 LYS CG C 13 25.390 0.400 . 1 . . . . 37 LYS CG . 11035 1 443 . 1 1 37 37 LYS HG2 H 1 1.222 0.020 . 1 . . . . 37 LYS HG2 . 11035 1 444 . 1 1 37 37 LYS HG3 H 1 1.222 0.020 . 1 . . . . 37 LYS HG3 . 11035 1 445 . 1 1 37 37 LYS CD C 13 28.946 0.400 . 1 . . . . 37 LYS CD . 11035 1 446 . 1 1 37 37 LYS HD2 H 1 1.470 0.020 . 1 . . . . 37 LYS HD2 . 11035 1 447 . 1 1 37 37 LYS HD3 H 1 1.470 0.020 . 1 . . . . 37 LYS HD3 . 11035 1 448 . 1 1 37 37 LYS CE C 13 41.895 0.400 . 1 . . . . 37 LYS CE . 11035 1 449 . 1 1 37 37 LYS HE2 H 1 2.781 0.020 . 1 . . . . 37 LYS HE2 . 11035 1 450 . 1 1 37 37 LYS HE3 H 1 2.781 0.020 . 1 . . . . 37 LYS HE3 . 11035 1 451 . 1 1 38 38 GLY N N 15 112.423 0.400 . 1 . . . . 38 GLY N . 11035 1 452 . 1 1 38 38 GLY H H 1 7.700 0.020 . 1 . . . . 38 GLY H . 11035 1 453 . 1 1 38 38 GLY CA C 13 47.057 0.400 . 1 . . . . 38 GLY CA . 11035 1 454 . 1 1 38 38 GLY HA2 H 1 3.484 0.020 . 2 . . . . 38 GLY HA2 . 11035 1 455 . 1 1 38 38 GLY HA3 H 1 3.865 0.020 . 2 . . . . 38 GLY HA3 . 11035 1 456 . 1 1 39 39 GLU N N 15 116.991 0.400 . 1 . . . . 39 GLU N . 11035 1 457 . 1 1 39 39 GLU H H 1 7.128 0.020 . 1 . . . . 39 GLU H . 11035 1 458 . 1 1 39 39 GLU CA C 13 53.737 0.400 . 1 . . . . 39 GLU CA . 11035 1 459 . 1 1 39 39 GLU HA H 1 5.343 0.020 . 1 . . . . 39 GLU HA . 11035 1 460 . 1 1 39 39 GLU CB C 13 36.112 0.400 . 1 . . . . 39 GLU CB . 11035 1 461 . 1 1 39 39 GLU HB2 H 1 1.504 0.020 . 2 . . . . 39 GLU HB2 . 11035 1 462 . 1 1 39 39 GLU HB3 H 1 1.678 0.020 . 2 . . . . 39 GLU HB3 . 11035 1 463 . 1 1 39 39 GLU CG C 13 36.178 0.400 . 1 . . . . 39 GLU CG . 11035 1 464 . 1 1 39 39 GLU HG2 H 1 1.897 0.020 . 2 . . . . 39 GLU HG2 . 11035 1 465 . 1 1 39 39 GLU HG3 H 1 2.011 0.020 . 2 . . . . 39 GLU HG3 . 11035 1 466 . 1 1 40 40 ALA N N 15 124.898 0.400 . 1 . . . . 40 ALA N . 11035 1 467 . 1 1 40 40 ALA H H 1 9.166 0.020 . 1 . . . . 40 ALA H . 11035 1 468 . 1 1 40 40 ALA CA C 13 49.829 0.400 . 1 . . . . 40 ALA CA . 11035 1 469 . 1 1 40 40 ALA HA H 1 5.089 0.020 . 1 . . . . 40 ALA HA . 11035 1 470 . 1 1 40 40 ALA CB C 13 22.779 0.400 . 1 . . . . 40 ALA CB . 11035 1 471 . 1 1 40 40 ALA HB1 H 1 0.887 0.020 . 1 . . . . 40 ALA HB1 . 11035 1 472 . 1 1 40 40 ALA HB2 H 1 0.887 0.020 . 1 . . . . 40 ALA HB2 . 11035 1 473 . 1 1 40 40 ALA HB3 H 1 0.887 0.020 . 1 . . . . 40 ALA HB3 . 11035 1 474 . 1 1 41 41 LEU N N 15 125.904 0.400 . 1 . . . . 41 LEU N . 11035 1 475 . 1 1 41 41 LEU H H 1 8.877 0.020 . 1 . . . . 41 LEU H . 11035 1 476 . 1 1 41 41 LEU CA C 13 53.951 0.400 . 1 . . . . 41 LEU CA . 11035 1 477 . 1 1 41 41 LEU HA H 1 4.946 0.020 . 1 . . . . 41 LEU HA . 11035 1 478 . 1 1 41 41 LEU CB C 13 43.476 0.400 . 1 . . . . 41 LEU CB . 11035 1 479 . 1 1 41 41 LEU HB2 H 1 1.539 0.020 . 1 . . . . 41 LEU HB2 . 11035 1 480 . 1 1 41 41 LEU HB3 H 1 1.539 0.020 . 1 . . . . 41 LEU HB3 . 11035 1 481 . 1 1 41 41 LEU CG C 13 27.342 0.400 . 1 . . . . 41 LEU CG . 11035 1 482 . 1 1 41 41 LEU HG H 1 1.498 0.020 . 1 . . . . 41 LEU HG . 11035 1 483 . 1 1 41 41 LEU CD1 C 13 24.061 0.400 . 1 . . . . 41 LEU CD1 . 11035 1 484 . 1 1 41 41 LEU HD11 H 1 0.711 0.020 . 2 . . . . 41 LEU HD11 . 11035 1 485 . 1 1 41 41 LEU HD12 H 1 0.711 0.020 . 2 . . . . 41 LEU HD12 . 11035 1 486 . 1 1 41 41 LEU HD13 H 1 0.711 0.020 . 2 . . . . 41 LEU HD13 . 11035 1 487 . 1 1 41 41 LEU CD2 C 13 24.689 0.400 . 1 . . . . 41 LEU CD2 . 11035 1 488 . 1 1 41 41 LEU HD21 H 1 0.720 0.020 . 2 . . . . 41 LEU HD21 . 11035 1 489 . 1 1 41 41 LEU HD22 H 1 0.720 0.020 . 2 . . . . 41 LEU HD22 . 11035 1 490 . 1 1 41 41 LEU HD23 H 1 0.720 0.020 . 2 . . . . 41 LEU HD23 . 11035 1 491 . 1 1 42 42 VAL N N 15 125.652 0.400 . 1 . . . . 42 VAL N . 11035 1 492 . 1 1 42 42 VAL H H 1 9.001 0.020 . 1 . . . . 42 VAL H . 11035 1 493 . 1 1 42 42 VAL CA C 13 60.957 0.400 . 1 . . . . 42 VAL CA . 11035 1 494 . 1 1 42 42 VAL HA H 1 4.685 0.020 . 1 . . . . 42 VAL HA . 11035 1 495 . 1 1 42 42 VAL CB C 13 34.991 0.400 . 1 . . . . 42 VAL CB . 11035 1 496 . 1 1 42 42 VAL HB H 1 1.800 0.020 . 1 . . . . 42 VAL HB . 11035 1 497 . 1 1 42 42 VAL CG1 C 13 21.553 0.400 . 1 . . . . 42 VAL CG1 . 11035 1 498 . 1 1 42 42 VAL HG11 H 1 0.699 0.020 . 2 . . . . 42 VAL HG11 . 11035 1 499 . 1 1 42 42 VAL HG12 H 1 0.699 0.020 . 2 . . . . 42 VAL HG12 . 11035 1 500 . 1 1 42 42 VAL HG13 H 1 0.699 0.020 . 2 . . . . 42 VAL HG13 . 11035 1 501 . 1 1 42 42 VAL CG2 C 13 22.489 0.400 . 1 . . . . 42 VAL CG2 . 11035 1 502 . 1 1 42 42 VAL HG21 H 1 0.784 0.020 . 2 . . . . 42 VAL HG21 . 11035 1 503 . 1 1 42 42 VAL HG22 H 1 0.784 0.020 . 2 . . . . 42 VAL HG22 . 11035 1 504 . 1 1 42 42 VAL HG23 H 1 0.784 0.020 . 2 . . . . 42 VAL HG23 . 11035 1 505 . 1 1 43 43 GLU N N 15 129.205 0.400 . 1 . . . . 43 GLU N . 11035 1 506 . 1 1 43 43 GLU H H 1 8.812 0.020 . 1 . . . . 43 GLU H . 11035 1 507 . 1 1 43 43 GLU CA C 13 54.534 0.400 . 1 . . . . 43 GLU CA . 11035 1 508 . 1 1 43 43 GLU HA H 1 4.782 0.020 . 1 . . . . 43 GLU HA . 11035 1 509 . 1 1 43 43 GLU CB C 13 32.233 0.400 . 1 . . . . 43 GLU CB . 11035 1 510 . 1 1 43 43 GLU HB2 H 1 1.737 0.020 . 2 . . . . 43 GLU HB2 . 11035 1 511 . 1 1 43 43 GLU HB3 H 1 1.975 0.020 . 2 . . . . 43 GLU HB3 . 11035 1 512 . 1 1 43 43 GLU CG C 13 35.872 0.400 . 1 . . . . 43 GLU CG . 11035 1 513 . 1 1 43 43 GLU HG2 H 1 2.097 0.020 . 1 . . . . 43 GLU HG2 . 11035 1 514 . 1 1 43 43 GLU HG3 H 1 2.097 0.020 . 1 . . . . 43 GLU HG3 . 11035 1 515 . 1 1 44 44 GLY N N 15 115.571 0.400 . 1 . . . . 44 GLY N . 11035 1 516 . 1 1 44 44 GLY H H 1 8.843 0.020 . 1 . . . . 44 GLY H . 11035 1 517 . 1 1 44 44 GLY CA C 13 44.139 0.400 . 1 . . . . 44 GLY CA . 11035 1 518 . 1 1 44 44 GLY HA2 H 1 3.820 0.020 . 2 . . . . 44 GLY HA2 . 11035 1 519 . 1 1 44 44 GLY HA3 H 1 5.025 0.020 . 2 . . . . 44 GLY HA3 . 11035 1 520 . 1 1 45 45 THR N N 15 114.645 0.400 . 1 . . . . 45 THR N . 11035 1 521 . 1 1 45 45 THR H H 1 8.280 0.020 . 1 . . . . 45 THR H . 11035 1 522 . 1 1 45 45 THR CA C 13 60.459 0.400 . 1 . . . . 45 THR CA . 11035 1 523 . 1 1 45 45 THR HA H 1 4.350 0.020 . 1 . . . . 45 THR HA . 11035 1 524 . 1 1 45 45 THR CB C 13 68.617 0.400 . 1 . . . . 45 THR CB . 11035 1 525 . 1 1 45 45 THR HB H 1 4.374 0.020 . 1 . . . . 45 THR HB . 11035 1 526 . 1 1 45 45 THR CG2 C 13 21.291 0.400 . 1 . . . . 45 THR CG2 . 11035 1 527 . 1 1 45 45 THR HG21 H 1 1.025 0.020 . 1 . . . . 45 THR HG21 . 11035 1 528 . 1 1 45 45 THR HG22 H 1 1.025 0.020 . 1 . . . . 45 THR HG22 . 11035 1 529 . 1 1 45 45 THR HG23 H 1 1.025 0.020 . 1 . . . . 45 THR HG23 . 11035 1 530 . 1 1 46 46 ALA N N 15 126.281 0.400 . 1 . . . . 46 ALA N . 11035 1 531 . 1 1 46 46 ALA H H 1 7.152 0.020 . 1 . . . . 46 ALA H . 11035 1 532 . 1 1 46 46 ALA CA C 13 51.308 0.400 . 1 . . . . 46 ALA CA . 11035 1 533 . 1 1 46 46 ALA HA H 1 4.217 0.020 . 1 . . . . 46 ALA HA . 11035 1 534 . 1 1 46 46 ALA CB C 13 21.363 0.400 . 1 . . . . 46 ALA CB . 11035 1 535 . 1 1 46 46 ALA HB1 H 1 0.987 0.020 . 1 . . . . 46 ALA HB1 . 11035 1 536 . 1 1 46 46 ALA HB2 H 1 0.987 0.020 . 1 . . . . 46 ALA HB2 . 11035 1 537 . 1 1 46 46 ALA HB3 H 1 0.987 0.020 . 1 . . . . 46 ALA HB3 . 11035 1 538 . 1 1 47 47 ASP N N 15 124.112 0.400 . 1 . . . . 47 ASP N . 11035 1 539 . 1 1 47 47 ASP H H 1 8.381 0.020 . 1 . . . . 47 ASP H . 11035 1 540 . 1 1 47 47 ASP CA C 13 51.268 0.400 . 1 . . . . 47 ASP CA . 11035 1 541 . 1 1 47 47 ASP HA H 1 4.644 0.020 . 1 . . . . 47 ASP HA . 11035 1 542 . 1 1 47 47 ASP CB C 13 42.134 0.400 . 1 . . . . 47 ASP CB . 11035 1 543 . 1 1 47 47 ASP HB2 H 1 2.602 0.020 . 1 . . . . 47 ASP HB2 . 11035 1 544 . 1 1 47 47 ASP HB3 H 1 2.602 0.020 . 1 . . . . 47 ASP HB3 . 11035 1 545 . 1 1 48 48 PRO CD C 13 50.942 0.400 . 1 . . . . 48 PRO CD . 11035 1 546 . 1 1 48 48 PRO CA C 13 65.397 0.400 . 1 . . . . 48 PRO CA . 11035 1 547 . 1 1 48 48 PRO HA H 1 3.889 0.020 . 1 . . . . 48 PRO HA . 11035 1 548 . 1 1 48 48 PRO CB C 13 32.536 0.400 . 1 . . . . 48 PRO CB . 11035 1 549 . 1 1 48 48 PRO HB2 H 1 1.939 0.020 . 2 . . . . 48 PRO HB2 . 11035 1 550 . 1 1 48 48 PRO HB3 H 1 2.120 0.020 . 2 . . . . 48 PRO HB3 . 11035 1 551 . 1 1 48 48 PRO CG C 13 27.431 0.400 . 1 . . . . 48 PRO CG . 11035 1 552 . 1 1 48 48 PRO HG2 H 1 1.915 0.020 . 2 . . . . 48 PRO HG2 . 11035 1 553 . 1 1 48 48 PRO HG3 H 1 2.065 0.020 . 2 . . . . 48 PRO HG3 . 11035 1 554 . 1 1 48 48 PRO HD2 H 1 3.872 0.020 . 2 . . . . 48 PRO HD2 . 11035 1 555 . 1 1 48 48 PRO HD3 H 1 3.978 0.020 . 2 . . . . 48 PRO HD3 . 11035 1 556 . 1 1 49 49 LYS N N 15 117.168 0.400 . 1 . . . . 49 LYS N . 11035 1 557 . 1 1 49 49 LYS H H 1 8.010 0.020 . 1 . . . . 49 LYS H . 11035 1 558 . 1 1 49 49 LYS CA C 13 59.342 0.400 . 1 . . . . 49 LYS CA . 11035 1 559 . 1 1 49 49 LYS HA H 1 3.839 0.020 . 1 . . . . 49 LYS HA . 11035 1 560 . 1 1 49 49 LYS CB C 13 31.680 0.400 . 1 . . . . 49 LYS CB . 11035 1 561 . 1 1 49 49 LYS HB2 H 1 1.691 0.020 . 2 . . . . 49 LYS HB2 . 11035 1 562 . 1 1 49 49 LYS HB3 H 1 1.759 0.020 . 2 . . . . 49 LYS HB3 . 11035 1 563 . 1 1 49 49 LYS CG C 13 24.964 0.400 . 1 . . . . 49 LYS CG . 11035 1 564 . 1 1 49 49 LYS HG2 H 1 1.310 0.020 . 2 . . . . 49 LYS HG2 . 11035 1 565 . 1 1 49 49 LYS HG3 H 1 1.415 0.020 . 2 . . . . 49 LYS HG3 . 11035 1 566 . 1 1 49 49 LYS CD C 13 28.903 0.400 . 1 . . . . 49 LYS CD . 11035 1 567 . 1 1 49 49 LYS HD2 H 1 1.591 0.020 . 1 . . . . 49 LYS HD2 . 11035 1 568 . 1 1 49 49 LYS HD3 H 1 1.591 0.020 . 1 . . . . 49 LYS HD3 . 11035 1 569 . 1 1 49 49 LYS CE C 13 41.792 0.400 . 1 . . . . 49 LYS CE . 11035 1 570 . 1 1 49 49 LYS HE2 H 1 2.884 0.020 . 1 . . . . 49 LYS HE2 . 11035 1 571 . 1 1 49 49 LYS HE3 H 1 2.884 0.020 . 1 . . . . 49 LYS HE3 . 11035 1 572 . 1 1 50 50 ALA N N 15 123.810 0.400 . 1 . . . . 50 ALA N . 11035 1 573 . 1 1 50 50 ALA H H 1 7.301 0.020 . 1 . . . . 50 ALA H . 11035 1 574 . 1 1 50 50 ALA CA C 13 54.235 0.400 . 1 . . . . 50 ALA CA . 11035 1 575 . 1 1 50 50 ALA HA H 1 4.065 0.020 . 1 . . . . 50 ALA HA . 11035 1 576 . 1 1 50 50 ALA CB C 13 18.768 0.400 . 1 . . . . 50 ALA CB . 11035 1 577 . 1 1 50 50 ALA HB1 H 1 1.462 0.020 . 1 . . . . 50 ALA HB1 . 11035 1 578 . 1 1 50 50 ALA HB2 H 1 1.462 0.020 . 1 . . . . 50 ALA HB2 . 11035 1 579 . 1 1 50 50 ALA HB3 H 1 1.462 0.020 . 1 . . . . 50 ALA HB3 . 11035 1 580 . 1 1 51 51 LEU N N 15 120.028 0.400 . 1 . . . . 51 LEU N . 11035 1 581 . 1 1 51 51 LEU H H 1 7.425 0.020 . 1 . . . . 51 LEU H . 11035 1 582 . 1 1 51 51 LEU CA C 13 57.535 0.400 . 1 . . . . 51 LEU CA . 11035 1 583 . 1 1 51 51 LEU HA H 1 3.824 0.020 . 1 . . . . 51 LEU HA . 11035 1 584 . 1 1 51 51 LEU CB C 13 41.409 0.400 . 1 . . . . 51 LEU CB . 11035 1 585 . 1 1 51 51 LEU HB2 H 1 1.027 0.020 . 2 . . . . 51 LEU HB2 . 11035 1 586 . 1 1 51 51 LEU HB3 H 1 1.943 0.020 . 2 . . . . 51 LEU HB3 . 11035 1 587 . 1 1 51 51 LEU CG C 13 25.640 0.400 . 1 . . . . 51 LEU CG . 11035 1 588 . 1 1 51 51 LEU HG H 1 1.636 0.020 . 1 . . . . 51 LEU HG . 11035 1 589 . 1 1 51 51 LEU CD1 C 13 23.417 0.400 . 1 . . . . 51 LEU CD1 . 11035 1 590 . 1 1 51 51 LEU HD11 H 1 0.540 0.020 . 2 . . . . 51 LEU HD11 . 11035 1 591 . 1 1 51 51 LEU HD12 H 1 0.540 0.020 . 2 . . . . 51 LEU HD12 . 11035 1 592 . 1 1 51 51 LEU HD13 H 1 0.540 0.020 . 2 . . . . 51 LEU HD13 . 11035 1 593 . 1 1 51 51 LEU CD2 C 13 27.312 0.400 . 1 . . . . 51 LEU CD2 . 11035 1 594 . 1 1 51 51 LEU HD21 H 1 0.613 0.020 . 2 . . . . 51 LEU HD21 . 11035 1 595 . 1 1 51 51 LEU HD22 H 1 0.613 0.020 . 2 . . . . 51 LEU HD22 . 11035 1 596 . 1 1 51 51 LEU HD23 H 1 0.613 0.020 . 2 . . . . 51 LEU HD23 . 11035 1 597 . 1 1 52 52 VAL N N 15 118.841 0.400 . 1 . . . . 52 VAL N . 11035 1 598 . 1 1 52 52 VAL H H 1 7.465 0.020 . 1 . . . . 52 VAL H . 11035 1 599 . 1 1 52 52 VAL CA C 13 67.011 0.400 . 1 . . . . 52 VAL CA . 11035 1 600 . 1 1 52 52 VAL HA H 1 3.158 0.020 . 1 . . . . 52 VAL HA . 11035 1 601 . 1 1 52 52 VAL CB C 13 31.981 0.400 . 1 . . . . 52 VAL CB . 11035 1 602 . 1 1 52 52 VAL HB H 1 1.936 0.020 . 1 . . . . 52 VAL HB . 11035 1 603 . 1 1 52 52 VAL CG1 C 13 22.914 0.400 . 1 . . . . 52 VAL CG1 . 11035 1 604 . 1 1 52 52 VAL HG11 H 1 0.828 0.020 . 2 . . . . 52 VAL HG11 . 11035 1 605 . 1 1 52 52 VAL HG12 H 1 0.828 0.020 . 2 . . . . 52 VAL HG12 . 11035 1 606 . 1 1 52 52 VAL HG13 H 1 0.828 0.020 . 2 . . . . 52 VAL HG13 . 11035 1 607 . 1 1 52 52 VAL CG2 C 13 21.155 0.400 . 1 . . . . 52 VAL CG2 . 11035 1 608 . 1 1 52 52 VAL HG21 H 1 0.825 0.020 . 2 . . . . 52 VAL HG21 . 11035 1 609 . 1 1 52 52 VAL HG22 H 1 0.825 0.020 . 2 . . . . 52 VAL HG22 . 11035 1 610 . 1 1 52 52 VAL HG23 H 1 0.825 0.020 . 2 . . . . 52 VAL HG23 . 11035 1 611 . 1 1 53 53 GLN N N 15 119.714 0.400 . 1 . . . . 53 GLN N . 11035 1 612 . 1 1 53 53 GLN H H 1 7.757 0.020 . 1 . . . . 53 GLN H . 11035 1 613 . 1 1 53 53 GLN CA C 13 58.874 0.400 . 1 . . . . 53 GLN CA . 11035 1 614 . 1 1 53 53 GLN HA H 1 3.926 0.020 . 1 . . . . 53 GLN HA . 11035 1 615 . 1 1 53 53 GLN CB C 13 28.342 0.400 . 1 . . . . 53 GLN CB . 11035 1 616 . 1 1 53 53 GLN HB2 H 1 1.911 0.020 . 2 . . . . 53 GLN HB2 . 11035 1 617 . 1 1 53 53 GLN HB3 H 1 2.032 0.020 . 2 . . . . 53 GLN HB3 . 11035 1 618 . 1 1 53 53 GLN CG C 13 33.735 0.400 . 1 . . . . 53 GLN CG . 11035 1 619 . 1 1 53 53 GLN HG2 H 1 2.236 0.020 . 2 . . . . 53 GLN HG2 . 11035 1 620 . 1 1 53 53 GLN HG3 H 1 2.363 0.020 . 2 . . . . 53 GLN HG3 . 11035 1 621 . 1 1 53 53 GLN NE2 N 15 113.639 0.400 . 1 . . . . 53 GLN NE2 . 11035 1 622 . 1 1 53 53 GLN HE21 H 1 6.625 0.020 . 2 . . . . 53 GLN HE21 . 11035 1 623 . 1 1 53 53 GLN HE22 H 1 7.516 0.020 . 2 . . . . 53 GLN HE22 . 11035 1 624 . 1 1 54 54 ALA N N 15 121.875 0.400 . 1 . . . . 54 ALA N . 11035 1 625 . 1 1 54 54 ALA H H 1 7.581 0.020 . 1 . . . . 54 ALA H . 11035 1 626 . 1 1 54 54 ALA CA C 13 54.752 0.400 . 1 . . . . 54 ALA CA . 11035 1 627 . 1 1 54 54 ALA HA H 1 3.967 0.020 . 1 . . . . 54 ALA HA . 11035 1 628 . 1 1 54 54 ALA CB C 13 18.258 0.400 . 1 . . . . 54 ALA CB . 11035 1 629 . 1 1 54 54 ALA HB1 H 1 1.240 0.020 . 1 . . . . 54 ALA HB1 . 11035 1 630 . 1 1 54 54 ALA HB2 H 1 1.240 0.020 . 1 . . . . 54 ALA HB2 . 11035 1 631 . 1 1 54 54 ALA HB3 H 1 1.240 0.020 . 1 . . . . 54 ALA HB3 . 11035 1 632 . 1 1 55 55 VAL N N 15 117.956 0.400 . 1 . . . . 55 VAL N . 11035 1 633 . 1 1 55 55 VAL H H 1 7.231 0.020 . 1 . . . . 55 VAL H . 11035 1 634 . 1 1 55 55 VAL CA C 13 66.658 0.400 . 1 . . . . 55 VAL CA . 11035 1 635 . 1 1 55 55 VAL HA H 1 3.327 0.020 . 1 . . . . 55 VAL HA . 11035 1 636 . 1 1 55 55 VAL CB C 13 31.738 0.400 . 1 . . . . 55 VAL CB . 11035 1 637 . 1 1 55 55 VAL HB H 1 1.961 0.020 . 1 . . . . 55 VAL HB . 11035 1 638 . 1 1 55 55 VAL HG11 H 1 0.793 0.020 . 1 . . . . 55 VAL HG1 . 11035 1 639 . 1 1 55 55 VAL HG12 H 1 0.793 0.020 . 1 . . . . 55 VAL HG1 . 11035 1 640 . 1 1 55 55 VAL HG13 H 1 0.793 0.020 . 1 . . . . 55 VAL HG1 . 11035 1 641 . 1 1 55 55 VAL HG21 H 1 0.793 0.020 . 1 . . . . 55 VAL HG2 . 11035 1 642 . 1 1 55 55 VAL HG22 H 1 0.793 0.020 . 1 . . . . 55 VAL HG2 . 11035 1 643 . 1 1 55 55 VAL HG23 H 1 0.793 0.020 . 1 . . . . 55 VAL HG2 . 11035 1 644 . 1 1 55 55 VAL CG1 C 13 24.262 0.400 . 1 . . . . 55 VAL CG1 . 11035 1 645 . 1 1 55 55 VAL CG2 C 13 23.464 0.400 . 1 . . . . 55 VAL CG2 . 11035 1 646 . 1 1 56 56 GLU N N 15 123.041 0.400 . 1 . . . . 56 GLU N . 11035 1 647 . 1 1 56 56 GLU H H 1 8.303 0.020 . 1 . . . . 56 GLU H . 11035 1 648 . 1 1 56 56 GLU CA C 13 59.052 0.400 . 1 . . . . 56 GLU CA . 11035 1 649 . 1 1 56 56 GLU HA H 1 4.514 0.020 . 1 . . . . 56 GLU HA . 11035 1 650 . 1 1 56 56 GLU CB C 13 29.002 0.400 . 1 . . . . 56 GLU CB . 11035 1 651 . 1 1 56 56 GLU HB2 H 1 1.913 0.020 . 2 . . . . 56 GLU HB2 . 11035 1 652 . 1 1 56 56 GLU HB3 H 1 2.081 0.020 . 2 . . . . 56 GLU HB3 . 11035 1 653 . 1 1 56 56 GLU CG C 13 36.855 0.400 . 1 . . . . 56 GLU CG . 11035 1 654 . 1 1 56 56 GLU HG2 H 1 2.248 0.020 . 2 . . . . 56 GLU HG2 . 11035 1 655 . 1 1 56 56 GLU HG3 H 1 2.522 0.020 . 2 . . . . 56 GLU HG3 . 11035 1 656 . 1 1 57 57 GLU N N 15 122.531 0.400 . 1 . . . . 57 GLU N . 11035 1 657 . 1 1 57 57 GLU H H 1 8.301 0.020 . 1 . . . . 57 GLU H . 11035 1 658 . 1 1 57 57 GLU CA C 13 58.927 0.400 . 1 . . . . 57 GLU CA . 11035 1 659 . 1 1 57 57 GLU HA H 1 3.926 0.020 . 1 . . . . 57 GLU HA . 11035 1 660 . 1 1 57 57 GLU CB C 13 29.345 0.400 . 1 . . . . 57 GLU CB . 11035 1 661 . 1 1 57 57 GLU HB2 H 1 1.974 0.020 . 2 . . . . 57 GLU HB2 . 11035 1 662 . 1 1 57 57 GLU HB3 H 1 2.054 0.020 . 2 . . . . 57 GLU HB3 . 11035 1 663 . 1 1 57 57 GLU CG C 13 36.871 0.400 . 1 . . . . 57 GLU CG . 11035 1 664 . 1 1 57 57 GLU HG2 H 1 2.225 0.020 . 2 . . . . 57 GLU HG2 . 11035 1 665 . 1 1 57 57 GLU HG3 H 1 2.417 0.020 . 2 . . . . 57 GLU HG3 . 11035 1 666 . 1 1 58 58 GLU N N 15 117.933 0.400 . 1 . . . . 58 GLU N . 11035 1 667 . 1 1 58 58 GLU H H 1 7.120 0.020 . 1 . . . . 58 GLU H . 11035 1 668 . 1 1 58 58 GLU CA C 13 55.335 0.400 . 1 . . . . 58 GLU CA . 11035 1 669 . 1 1 58 58 GLU HA H 1 4.236 0.020 . 1 . . . . 58 GLU HA . 11035 1 670 . 1 1 58 58 GLU CB C 13 29.702 0.400 . 1 . . . . 58 GLU CB . 11035 1 671 . 1 1 58 58 GLU HB2 H 1 1.988 0.020 . 2 . . . . 58 GLU HB2 . 11035 1 672 . 1 1 58 58 GLU HB3 H 1 2.361 0.020 . 2 . . . . 58 GLU HB3 . 11035 1 673 . 1 1 58 58 GLU CG C 13 35.850 0.400 . 1 . . . . 58 GLU CG . 11035 1 674 . 1 1 58 58 GLU HG2 H 1 2.245 0.020 . 1 . . . . 58 GLU HG2 . 11035 1 675 . 1 1 58 58 GLU HG3 H 1 2.245 0.020 . 1 . . . . 58 GLU HG3 . 11035 1 676 . 1 1 59 59 GLY N N 15 106.196 0.400 . 1 . . . . 59 GLY N . 11035 1 677 . 1 1 59 59 GLY H H 1 7.665 0.020 . 1 . . . . 59 GLY H . 11035 1 678 . 1 1 59 59 GLY CA C 13 44.622 0.400 . 1 . . . . 59 GLY CA . 11035 1 679 . 1 1 59 59 GLY HA2 H 1 3.415 0.020 . 2 . . . . 59 GLY HA2 . 11035 1 680 . 1 1 59 59 GLY HA3 H 1 3.877 0.020 . 2 . . . . 59 GLY HA3 . 11035 1 681 . 1 1 60 60 TYR N N 15 121.481 0.400 . 1 . . . . 60 TYR N . 11035 1 682 . 1 1 60 60 TYR H H 1 6.992 0.020 . 1 . . . . 60 TYR H . 11035 1 683 . 1 1 60 60 TYR CA C 13 23.478 0.400 . 1 . . . . 60 TYR CA . 11035 1 684 . 1 1 60 60 TYR HA H 1 4.601 0.020 . 1 . . . . 60 TYR HA . 11035 1 685 . 1 1 60 60 TYR CB C 13 39.458 0.400 . 1 . . . . 60 TYR CB . 11035 1 686 . 1 1 60 60 TYR HB2 H 1 2.174 0.020 . 2 . . . . 60 TYR HB2 . 11035 1 687 . 1 1 60 60 TYR HB3 H 1 3.026 0.020 . 2 . . . . 60 TYR HB3 . 11035 1 688 . 1 1 60 60 TYR CD1 C 13 132.597 0.400 . 1 . . . . 60 TYR CD1 . 11035 1 689 . 1 1 60 60 TYR HD1 H 1 6.645 0.020 . 1 . . . . 60 TYR HD1 . 11035 1 690 . 1 1 60 60 TYR CE1 C 13 117.699 0.400 . 1 . . . . 60 TYR CE1 . 11035 1 691 . 1 1 60 60 TYR HE1 H 1 6.730 0.020 . 1 . . . . 60 TYR HE1 . 11035 1 692 . 1 1 60 60 TYR HE2 H 1 6.730 0.020 . 1 . . . . 60 TYR HE2 . 11035 1 693 . 1 1 60 60 TYR HD2 H 1 6.645 0.020 . 1 . . . . 60 TYR HD2 . 11035 1 694 . 1 1 61 61 LYS N N 15 120.944 0.400 . 1 . . . . 61 LYS N . 11035 1 695 . 1 1 61 61 LYS H H 1 7.693 0.020 . 1 . . . . 61 LYS H . 11035 1 696 . 1 1 61 61 LYS CA C 13 22.020 0.400 . 1 . . . . 61 LYS CA . 11035 1 697 . 1 1 61 61 LYS HA H 1 4.621 0.020 . 1 . . . . 61 LYS HA . 11035 1 698 . 1 1 61 61 LYS CB C 13 34.751 0.400 . 1 . . . . 61 LYS CB . 11035 1 699 . 1 1 61 61 LYS HB2 H 1 1.531 0.020 . 2 . . . . 61 LYS HB2 . 11035 1 700 . 1 1 61 61 LYS HB3 H 1 1.689 0.020 . 2 . . . . 61 LYS HB3 . 11035 1 701 . 1 1 61 61 LYS CG C 13 24.636 0.400 . 1 . . . . 61 LYS CG . 11035 1 702 . 1 1 61 61 LYS HG2 H 1 1.269 0.020 . 2 . . . . 61 LYS HG2 . 11035 1 703 . 1 1 61 61 LYS HG3 H 1 1.336 0.020 . 2 . . . . 61 LYS HG3 . 11035 1 704 . 1 1 61 61 LYS CD C 13 28.734 0.400 . 1 . . . . 61 LYS CD . 11035 1 705 . 1 1 61 61 LYS HD2 H 1 1.523 0.020 . 1 . . . . 61 LYS HD2 . 11035 1 706 . 1 1 61 61 LYS HD3 H 1 1.523 0.020 . 1 . . . . 61 LYS HD3 . 11035 1 707 . 1 1 61 61 LYS CE C 13 41.968 0.400 . 1 . . . . 61 LYS CE . 11035 1 708 . 1 1 61 61 LYS HE2 H 1 2.829 0.020 . 1 . . . . 61 LYS HE2 . 11035 1 709 . 1 1 61 61 LYS HE3 H 1 2.829 0.020 . 1 . . . . 61 LYS HE3 . 11035 1 710 . 1 1 62 62 ALA N N 15 126.578 0.400 . 1 . . . . 62 ALA N . 11035 1 711 . 1 1 62 62 ALA H H 1 8.890 0.020 . 1 . . . . 62 ALA H . 11035 1 712 . 1 1 62 62 ALA CA C 13 17.053 0.400 . 1 . . . . 62 ALA CA . 11035 1 713 . 1 1 62 62 ALA HA H 1 5.687 0.020 . 1 . . . . 62 ALA HA . 11035 1 714 . 1 1 62 62 ALA CB C 13 23.988 0.400 . 1 . . . . 62 ALA CB . 11035 1 715 . 1 1 62 62 ALA HB1 H 1 1.215 0.020 . 1 . . . . 62 ALA HB1 . 11035 1 716 . 1 1 62 62 ALA HB2 H 1 1.215 0.020 . 1 . . . . 62 ALA HB2 . 11035 1 717 . 1 1 62 62 ALA HB3 H 1 1.215 0.020 . 1 . . . . 62 ALA HB3 . 11035 1 718 . 1 1 63 63 GLU N N 15 118.431 0.400 . 1 . . . . 63 GLU N . 11035 1 719 . 1 1 63 63 GLU H H 1 8.220 0.020 . 1 . . . . 63 GLU H . 11035 1 720 . 1 1 63 63 GLU CA C 13 21.512 0.400 . 1 . . . . 63 GLU CA . 11035 1 721 . 1 1 63 63 GLU HA H 1 4.447 0.020 . 1 . . . . 63 GLU HA . 11035 1 722 . 1 1 63 63 GLU CB C 13 33.922 0.400 . 1 . . . . 63 GLU CB . 11035 1 723 . 1 1 63 63 GLU HB2 H 1 1.820 0.020 . 2 . . . . 63 GLU HB2 . 11035 1 724 . 1 1 63 63 GLU HB3 H 1 1.864 0.020 . 2 . . . . 63 GLU HB3 . 11035 1 725 . 1 1 63 63 GLU CG C 13 36.040 0.400 . 1 . . . . 63 GLU CG . 11035 1 726 . 1 1 63 63 GLU HG2 H 1 2.012 0.020 . 2 . . . . 63 GLU HG2 . 11035 1 727 . 1 1 63 63 GLU HG3 H 1 2.071 0.020 . 2 . . . . 63 GLU HG3 . 11035 1 728 . 1 1 64 64 VAL N N 15 126.476 0.400 . 1 . . . . 64 VAL N . 11035 1 729 . 1 1 64 64 VAL H H 1 8.751 0.020 . 1 . . . . 64 VAL H . 11035 1 730 . 1 1 64 64 VAL CA C 13 30.416 0.400 . 1 . . . . 64 VAL CA . 11035 1 731 . 1 1 64 64 VAL HA H 1 3.972 0.020 . 1 . . . . 64 VAL HA . 11035 1 732 . 1 1 64 64 VAL CB C 13 31.863 0.400 . 1 . . . . 64 VAL CB . 11035 1 733 . 1 1 64 64 VAL HB H 1 1.872 0.020 . 1 . . . . 64 VAL HB . 11035 1 734 . 1 1 64 64 VAL CG1 C 13 22.081 0.400 . 1 . . . . 64 VAL CG1 . 11035 1 735 . 1 1 64 64 VAL HG11 H 1 0.794 0.020 . 2 . . . . 64 VAL HG11 . 11035 1 736 . 1 1 64 64 VAL HG12 H 1 0.794 0.020 . 2 . . . . 64 VAL HG12 . 11035 1 737 . 1 1 64 64 VAL HG13 H 1 0.794 0.020 . 2 . . . . 64 VAL HG13 . 11035 1 738 . 1 1 64 64 VAL CG2 C 13 21.434 0.400 . 1 . . . . 64 VAL CG2 . 11035 1 739 . 1 1 64 64 VAL HG21 H 1 0.859 0.020 . 2 . . . . 64 VAL HG21 . 11035 1 740 . 1 1 64 64 VAL HG22 H 1 0.859 0.020 . 2 . . . . 64 VAL HG22 . 11035 1 741 . 1 1 64 64 VAL HG23 H 1 0.859 0.020 . 2 . . . . 64 VAL HG23 . 11035 1 742 . 1 1 65 65 LEU N N 15 132.528 0.400 . 1 . . . . 65 LEU N . 11035 1 743 . 1 1 65 65 LEU H H 1 8.629 0.020 . 1 . . . . 65 LEU H . 11035 1 744 . 1 1 65 65 LEU CA C 13 21.328 0.400 . 1 . . . . 65 LEU CA . 11035 1 745 . 1 1 65 65 LEU HA H 1 4.409 0.020 . 1 . . . . 65 LEU HA . 11035 1 746 . 1 1 65 65 LEU CB C 13 42.557 0.400 . 1 . . . . 65 LEU CB . 11035 1 747 . 1 1 65 65 LEU HB2 H 1 1.450 0.020 . 1 . . . . 65 LEU HB2 . 11035 1 748 . 1 1 65 65 LEU HB3 H 1 1.450 0.020 . 1 . . . . 65 LEU HB3 . 11035 1 749 . 1 1 65 65 LEU CG C 13 26.664 0.400 . 1 . . . . 65 LEU CG . 11035 1 750 . 1 1 65 65 LEU HG H 1 1.498 0.020 . 1 . . . . 65 LEU HG . 11035 1 751 . 1 1 65 65 LEU CD1 C 13 23.161 0.400 . 1 . . . . 65 LEU CD1 . 11035 1 752 . 1 1 65 65 LEU HD11 H 1 0.736 0.020 . 2 . . . . 65 LEU HD11 . 11035 1 753 . 1 1 65 65 LEU HD12 H 1 0.736 0.020 . 2 . . . . 65 LEU HD12 . 11035 1 754 . 1 1 65 65 LEU HD13 H 1 0.736 0.020 . 2 . . . . 65 LEU HD13 . 11035 1 755 . 1 1 65 65 LEU CD2 C 13 25.207 0.400 . 1 . . . . 65 LEU CD2 . 11035 1 756 . 1 1 65 65 LEU HD21 H 1 0.734 0.020 . 2 . . . . 65 LEU HD21 . 11035 1 757 . 1 1 65 65 LEU HD22 H 1 0.734 0.020 . 2 . . . . 65 LEU HD22 . 11035 1 758 . 1 1 65 65 LEU HD23 H 1 0.734 0.020 . 2 . . . . 65 LEU HD23 . 11035 1 759 . 1 1 66 66 ALA N N 15 132.521 0.400 . 1 . . . . 66 ALA N . 11035 1 760 . 1 1 66 66 ALA H H 1 7.817 0.020 . 1 . . . . 66 ALA H . 11035 1 761 . 1 1 66 66 ALA CA C 13 20.598 0.400 . 1 . . . . 66 ALA CA . 11035 1 762 . 1 1 66 66 ALA HA H 1 4.031 0.020 . 1 . . . . 66 ALA HA . 11035 1 763 . 1 1 66 66 ALA CB C 13 20.321 0.400 . 1 . . . . 66 ALA CB . 11035 1 764 . 1 1 66 66 ALA HB1 H 1 1.217 0.020 . 1 . . . . 66 ALA HB1 . 11035 1 765 . 1 1 66 66 ALA HB2 H 1 1.217 0.020 . 1 . . . . 66 ALA HB2 . 11035 1 766 . 1 1 66 66 ALA HB3 H 1 1.217 0.020 . 1 . . . . 66 ALA HB3 . 11035 1 stop_ save_