################################### # 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 11037 _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 11037 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11037 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11037 1 4 '3D CBCANH' 1 $sample_1 isotropic 11037 1 5 '3D HNCO' 1 $sample_1 isotropic 11037 1 6 '3D HN(CA)CO' 1 $sample_1 isotropic 11037 1 7 '3D H(CCCO)NH' 1 $sample_1 isotropic 11037 1 8 '3D CC(CO)NH' 1 $sample_1 isotropic 11037 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11037 1 10 '4D HCC(CO)NH' 1 $sample_1 isotropic 11037 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11037 1 12 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11037 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 55.399 0.400 . 1 . . . . 1 MET CA . 11037 1 2 . 1 1 1 1 MET HA H 1 4.143 0.020 . 1 . . . . 1 MET HA . 11037 1 3 . 1 1 1 1 MET CB C 13 33.708 0.400 . 1 . . . . 1 MET CB . 11037 1 4 . 1 1 1 1 MET HB2 H 1 1.974 0.020 . 1 . . . . 1 MET HB2 . 11037 1 5 . 1 1 1 1 MET HB3 H 1 1.974 0.020 . 1 . . . . 1 MET HB3 . 11037 1 6 . 1 1 1 1 MET CG C 13 30.911 0.400 . 1 . . . . 1 MET CG . 11037 1 7 . 1 1 1 1 MET HG2 H 1 2.257 0.020 . 1 . . . . 1 MET HG2 . 11037 1 8 . 1 1 1 1 MET HG3 H 1 2.257 0.020 . 1 . . . . 1 MET HG3 . 11037 1 9 . 1 1 1 1 MET C C 13 171.607 0.400 . 1 . . . . 1 MET C . 11037 1 10 . 1 1 2 2 LEU N N 15 129.002 0.400 . 1 . . . . 2 LEU N . 11037 1 11 . 1 1 2 2 LEU H H 1 8.781 0.020 . 1 . . . . 2 LEU H . 11037 1 12 . 1 1 2 2 LEU CA C 13 54.245 0.400 . 1 . . . . 2 LEU CA . 11037 1 13 . 1 1 2 2 LEU HA H 1 4.492 0.020 . 1 . . . . 2 LEU HA . 11037 1 14 . 1 1 2 2 LEU CB C 13 45.155 0.400 . 1 . . . . 2 LEU CB . 11037 1 15 . 1 1 2 2 LEU HB3 H 1 1.478 0.020 . 1 . . . . 2 LEU HB3 . 11037 1 16 . 1 1 2 2 LEU HD11 H 1 0.706 0.020 . 1 . . . . 2 LEU HD1 . 11037 1 17 . 1 1 2 2 LEU HD12 H 1 0.706 0.020 . 1 . . . . 2 LEU HD1 . 11037 1 18 . 1 1 2 2 LEU HD13 H 1 0.706 0.020 . 1 . . . . 2 LEU HD1 . 11037 1 19 . 1 1 2 2 LEU HD21 H 1 0.706 0.020 . 1 . . . . 2 LEU HD2 . 11037 1 20 . 1 1 2 2 LEU HD22 H 1 0.706 0.020 . 1 . . . . 2 LEU HD2 . 11037 1 21 . 1 1 2 2 LEU HD23 H 1 0.706 0.020 . 1 . . . . 2 LEU HD2 . 11037 1 22 . 1 1 2 2 LEU CD1 C 13 24.638 0.400 . 1 . . . . 2 LEU CD1 . 11037 1 23 . 1 1 2 2 LEU CD2 C 13 24.638 0.400 . 1 . . . . 2 LEU CD2 . 11037 1 24 . 1 1 2 2 LEU C C 13 173.913 0.400 . 1 . . . . 2 LEU C . 11037 1 25 . 1 1 3 3 LYS N N 15 126.222 0.400 . 1 . . . . 3 LYS N . 11037 1 26 . 1 1 3 3 LYS H H 1 8.747 0.020 . 1 . . . . 3 LYS H . 11037 1 27 . 1 1 3 3 LYS CA C 13 54.895 0.400 . 1 . . . . 3 LYS CA . 11037 1 28 . 1 1 3 3 LYS HA H 1 5.016 0.020 . 1 . . . . 3 LYS HA . 11037 1 29 . 1 1 3 3 LYS CB C 13 35.071 0.400 . 1 . . . . 3 LYS CB . 11037 1 30 . 1 1 3 3 LYS HB2 H 1 1.492 0.020 . 2 . . . . 3 LYS HB2 . 11037 1 31 . 1 1 3 3 LYS HB3 H 1 1.601 0.020 . 2 . . . . 3 LYS HB3 . 11037 1 32 . 1 1 3 3 LYS C C 13 174.440 0.400 . 1 . . . . 3 LYS C . 11037 1 33 . 1 1 4 4 LEU N N 15 125.126 0.400 . 1 . . . . 4 LEU N . 11037 1 34 . 1 1 4 4 LEU H H 1 9.139 0.020 . 1 . . . . 4 LEU H . 11037 1 35 . 1 1 4 4 LEU CA C 13 53.202 0.400 . 1 . . . . 4 LEU CA . 11037 1 36 . 1 1 4 4 LEU HA H 1 5.025 0.020 . 1 . . . . 4 LEU HA . 11037 1 37 . 1 1 4 4 LEU CB C 13 44.568 0.400 . 1 . . . . 4 LEU CB . 11037 1 38 . 1 1 4 4 LEU HB2 H 1 1.218 0.020 . 1 . . . . 4 LEU HB2 . 11037 1 39 . 1 1 4 4 LEU HB3 H 1 1.218 0.020 . 1 . . . . 4 LEU HB3 . 11037 1 40 . 1 1 4 4 LEU HD11 H 1 0.538 0.020 . 1 . . . . 4 LEU HD1 . 11037 1 41 . 1 1 4 4 LEU HD12 H 1 0.538 0.020 . 1 . . . . 4 LEU HD1 . 11037 1 42 . 1 1 4 4 LEU HD13 H 1 0.538 0.020 . 1 . . . . 4 LEU HD1 . 11037 1 43 . 1 1 4 4 LEU HD21 H 1 0.538 0.020 . 1 . . . . 4 LEU HD2 . 11037 1 44 . 1 1 4 4 LEU HD22 H 1 0.538 0.020 . 1 . . . . 4 LEU HD2 . 11037 1 45 . 1 1 4 4 LEU HD23 H 1 0.538 0.020 . 1 . . . . 4 LEU HD2 . 11037 1 46 . 1 1 4 4 LEU CD1 C 13 25.618 0.400 . 1 . . . . 4 LEU CD1 . 11037 1 47 . 1 1 4 4 LEU C C 13 176.474 0.400 . 1 . . . . 4 LEU C . 11037 1 48 . 1 1 5 5 LYS N N 15 126.259 0.400 . 1 . . . . 5 LYS N . 11037 1 49 . 1 1 5 5 LYS H H 1 8.994 0.020 . 1 . . . . 5 LYS H . 11037 1 50 . 1 1 5 5 LYS CA C 13 55.405 0.400 . 1 . . . . 5 LYS CA . 11037 1 51 . 1 1 5 5 LYS HA H 1 4.601 0.020 . 1 . . . . 5 LYS HA . 11037 1 52 . 1 1 5 5 LYS CB C 13 33.670 0.400 . 1 . . . . 5 LYS CB . 11037 1 53 . 1 1 5 5 LYS HB2 H 1 1.629 0.020 . 1 . . . . 5 LYS HB2 . 11037 1 54 . 1 1 5 5 LYS CG C 13 24.913 0.400 . 1 . . . . 5 LYS CG . 11037 1 55 . 1 1 5 5 LYS C C 13 175.762 0.400 . 1 . . . . 5 LYS C . 11037 1 56 . 1 1 6 6 VAL N N 15 128.340 0.400 . 1 . . . . 6 VAL N . 11037 1 57 . 1 1 6 6 VAL H H 1 8.201 0.020 . 1 . . . . 6 VAL H . 11037 1 58 . 1 1 6 6 VAL CA C 13 61.080 0.400 . 1 . . . . 6 VAL CA . 11037 1 59 . 1 1 6 6 VAL HA H 1 4.743 0.020 . 1 . . . . 6 VAL HA . 11037 1 60 . 1 1 6 6 VAL CB C 13 34.109 0.400 . 1 . . . . 6 VAL CB . 11037 1 61 . 1 1 6 6 VAL HB H 1 1.313 0.020 . 1 . . . . 6 VAL HB . 11037 1 62 . 1 1 6 6 VAL CG1 C 13 20.497 0.400 . 1 . . . . 6 VAL CG1 . 11037 1 63 . 1 1 6 6 VAL HG11 H 1 0.578 0.020 . 2 . . . . 6 VAL HG11 . 11037 1 64 . 1 1 6 6 VAL HG12 H 1 0.578 0.020 . 2 . . . . 6 VAL HG12 . 11037 1 65 . 1 1 6 6 VAL HG13 H 1 0.578 0.020 . 2 . . . . 6 VAL HG13 . 11037 1 66 . 1 1 6 6 VAL CG2 C 13 21.300 0.400 . 1 . . . . 6 VAL CG2 . 11037 1 67 . 1 1 6 6 VAL HG21 H 1 0.669 0.020 . 2 . . . . 6 VAL HG21 . 11037 1 68 . 1 1 6 6 VAL HG22 H 1 0.669 0.020 . 2 . . . . 6 VAL HG22 . 11037 1 69 . 1 1 6 6 VAL HG23 H 1 0.669 0.020 . 2 . . . . 6 VAL HG23 . 11037 1 70 . 1 1 6 6 VAL C C 13 175.370 0.400 . 1 . . . . 6 VAL C . 11037 1 71 . 1 1 7 7 GLU N N 15 129.833 0.400 . 1 . . . . 7 GLU N . 11037 1 72 . 1 1 7 7 GLU H H 1 9.136 0.020 . 1 . . . . 7 GLU H . 11037 1 73 . 1 1 7 7 GLU CA C 13 55.221 0.400 . 1 . . . . 7 GLU CA . 11037 1 74 . 1 1 7 7 GLU HA H 1 4.580 0.020 . 1 . . . . 7 GLU HA . 11037 1 75 . 1 1 7 7 GLU HB2 H 1 1.854 0.020 . 1 . . . . 7 GLU HB2 . 11037 1 76 . 1 1 7 7 GLU HB3 H 1 1.854 0.020 . 1 . . . . 7 GLU HB3 . 11037 1 77 . 1 1 7 7 GLU HG2 H 1 2.059 0.020 . 1 . . . . 7 GLU HG2 . 11037 1 78 . 1 1 7 7 GLU HG3 H 1 2.059 0.020 . 1 . . . . 7 GLU HG3 . 11037 1 79 . 1 1 7 7 GLU C C 13 176.401 0.400 . 1 . . . . 7 GLU C . 11037 1 80 . 1 1 8 8 GLY N N 15 111.314 0.400 . 1 . . . . 8 GLY N . 11037 1 81 . 1 1 8 8 GLY H H 1 8.441 0.020 . 1 . . . . 8 GLY H . 11037 1 82 . 1 1 8 8 GLY CA C 13 44.998 0.400 . 1 . . . . 8 GLY CA . 11037 1 83 . 1 1 8 8 GLY HA2 H 1 3.598 0.020 . 2 . . . . 8 GLY HA2 . 11037 1 84 . 1 1 8 8 GLY HA3 H 1 4.543 0.020 . 2 . . . . 8 GLY HA3 . 11037 1 85 . 1 1 8 8 GLY C C 13 175.105 0.400 . 1 . . . . 8 GLY C . 11037 1 86 . 1 1 9 9 MET N N 15 121.764 0.400 . 1 . . . . 9 MET N . 11037 1 87 . 1 1 9 9 MET H H 1 8.837 0.020 . 1 . . . . 9 MET H . 11037 1 88 . 1 1 9 9 MET CA C 13 56.686 0.400 . 1 . . . . 9 MET CA . 11037 1 89 . 1 1 10 10 THR N N 15 118.667 0.400 . 1 . . . . 10 THR N . 11037 1 90 . 1 1 10 10 THR H H 1 10.270 0.020 . 1 . . . . 10 THR H . 11037 1 91 . 1 1 12 12 ASN ND2 N 15 114.414 0.400 . 1 . . . . 12 ASN ND2 . 11037 1 92 . 1 1 12 12 ASN HD22 H 1 7.564 0.020 . 1 . . . . 12 ASN HD22 . 11037 1 93 . 1 1 13 13 HIS HA H 1 4.196 0.020 . 1 . . . . 13 HIS HA . 11037 1 94 . 1 1 13 13 HIS HB2 H 1 3.230 0.020 . 1 . . . . 13 HIS HB2 . 11037 1 95 . 1 1 13 13 HIS HB3 H 1 3.230 0.020 . 1 . . . . 13 HIS HB3 . 11037 1 96 . 1 1 13 13 HIS HD2 H 1 7.162 0.020 . 1 . . . . 13 HIS HD2 . 11037 1 97 . 1 1 13 13 HIS C C 13 177.639 0.400 . 1 . . . . 13 HIS C . 11037 1 98 . 1 1 14 14 CYS N N 15 124.626 0.400 . 1 . . . . 14 CYS N . 11037 1 99 . 1 1 14 14 CYS H H 1 7.534 0.020 . 1 . . . . 14 CYS H . 11037 1 100 . 1 1 14 14 CYS CA C 13 62.695 0.400 . 1 . . . . 14 CYS CA . 11037 1 101 . 1 1 14 14 CYS C C 13 177.282 0.400 . 1 . . . . 14 CYS C . 11037 1 102 . 1 1 15 15 VAL N N 15 119.560 0.400 . 1 . . . . 15 VAL N . 11037 1 103 . 1 1 15 15 VAL H H 1 6.960 0.020 . 1 . . . . 15 VAL H . 11037 1 104 . 1 1 15 15 VAL CA C 13 66.009 0.400 . 1 . . . . 15 VAL CA . 11037 1 105 . 1 1 15 15 VAL HA H 1 3.253 0.020 . 1 . . . . 15 VAL HA . 11037 1 106 . 1 1 15 15 VAL HB H 1 2.192 0.020 . 1 . . . . 15 VAL HB . 11037 1 107 . 1 1 15 15 VAL CG1 C 13 20.694 0.400 . 1 . . . . 15 VAL CG1 . 11037 1 108 . 1 1 15 15 VAL HG11 H 1 0.664 0.020 . 2 . . . . 15 VAL HG11 . 11037 1 109 . 1 1 15 15 VAL HG12 H 1 0.664 0.020 . 2 . . . . 15 VAL HG12 . 11037 1 110 . 1 1 15 15 VAL HG13 H 1 0.664 0.020 . 2 . . . . 15 VAL HG13 . 11037 1 111 . 1 1 15 15 VAL CG2 C 13 23.725 0.400 . 1 . . . . 15 VAL CG2 . 11037 1 112 . 1 1 15 15 VAL HG21 H 1 0.910 0.020 . 2 . . . . 15 VAL HG21 . 11037 1 113 . 1 1 15 15 VAL HG22 H 1 0.910 0.020 . 2 . . . . 15 VAL HG22 . 11037 1 114 . 1 1 15 15 VAL HG23 H 1 0.910 0.020 . 2 . . . . 15 VAL HG23 . 11037 1 115 . 1 1 15 15 VAL C C 13 180.207 0.400 . 1 . . . . 15 VAL C . 11037 1 116 . 1 1 16 16 MET N N 15 123.233 0.400 . 1 . . . . 16 MET N . 11037 1 117 . 1 1 16 16 MET H H 1 8.003 0.020 . 1 . . . . 16 MET H . 11037 1 118 . 1 1 16 16 MET CA C 13 58.308 0.400 . 1 . . . . 16 MET CA . 11037 1 119 . 1 1 16 16 MET CB C 13 31.973 0.400 . 1 . . . . 16 MET CB . 11037 1 120 . 1 1 16 16 MET C C 13 177.839 0.400 . 1 . . . . 16 MET C . 11037 1 121 . 1 1 17 17 ALA N N 15 125.668 0.400 . 1 . . . . 17 ALA N . 11037 1 122 . 1 1 17 17 ALA H H 1 7.988 0.020 . 1 . . . . 17 ALA H . 11037 1 123 . 1 1 17 17 ALA CA C 13 55.315 0.400 . 1 . . . . 17 ALA CA . 11037 1 124 . 1 1 17 17 ALA HA H 1 3.941 0.020 . 1 . . . . 17 ALA HA . 11037 1 125 . 1 1 17 17 ALA CB C 13 18.064 0.400 . 1 . . . . 17 ALA CB . 11037 1 126 . 1 1 17 17 ALA HB1 H 1 1.526 0.020 . 1 . . . . 17 ALA HB1 . 11037 1 127 . 1 1 17 17 ALA HB2 H 1 1.526 0.020 . 1 . . . . 17 ALA HB2 . 11037 1 128 . 1 1 17 17 ALA HB3 H 1 1.526 0.020 . 1 . . . . 17 ALA HB3 . 11037 1 129 . 1 1 17 17 ALA C C 13 180.752 0.400 . 1 . . . . 17 ALA C . 11037 1 130 . 1 1 18 18 VAL N N 15 120.754 0.400 . 1 . . . . 18 VAL N . 11037 1 131 . 1 1 18 18 VAL H H 1 8.206 0.020 . 1 . . . . 18 VAL H . 11037 1 132 . 1 1 18 18 VAL CA C 13 67.269 0.400 . 1 . . . . 18 VAL CA . 11037 1 133 . 1 1 18 18 VAL HA H 1 3.145 0.020 . 1 . . . . 18 VAL HA . 11037 1 134 . 1 1 18 18 VAL CB C 13 31.998 0.400 . 1 . . . . 18 VAL CB . 11037 1 135 . 1 1 18 18 VAL CG1 C 13 24.044 0.400 . 1 . . . . 18 VAL CG1 . 11037 1 136 . 1 1 18 18 VAL HG11 H 1 0.323 0.020 . 2 . . . . 18 VAL HG11 . 11037 1 137 . 1 1 18 18 VAL HG12 H 1 0.323 0.020 . 2 . . . . 18 VAL HG12 . 11037 1 138 . 1 1 18 18 VAL HG13 H 1 0.323 0.020 . 2 . . . . 18 VAL HG13 . 11037 1 139 . 1 1 18 18 VAL CG2 C 13 21.408 0.400 . 1 . . . . 18 VAL CG2 . 11037 1 140 . 1 1 18 18 VAL HG21 H 1 0.584 0.020 . 2 . . . . 18 VAL HG21 . 11037 1 141 . 1 1 18 18 VAL HG22 H 1 0.584 0.020 . 2 . . . . 18 VAL HG22 . 11037 1 142 . 1 1 18 18 VAL HG23 H 1 0.584 0.020 . 2 . . . . 18 VAL HG23 . 11037 1 143 . 1 1 18 18 VAL C C 13 176.979 0.400 . 1 . . . . 18 VAL C . 11037 1 144 . 1 1 19 19 THR N N 15 117.760 0.400 . 1 . . . . 19 THR N . 11037 1 145 . 1 1 19 19 THR H H 1 8.021 0.020 . 1 . . . . 19 THR H . 11037 1 146 . 1 1 19 19 THR CA C 13 68.246 0.400 . 1 . . . . 19 THR CA . 11037 1 147 . 1 1 19 19 THR HG21 H 1 0.957 0.020 . 1 . . . . 19 THR HG21 . 11037 1 148 . 1 1 19 19 THR HG22 H 1 0.957 0.020 . 1 . . . . 19 THR HG22 . 11037 1 149 . 1 1 19 19 THR HG23 H 1 0.957 0.020 . 1 . . . . 19 THR HG23 . 11037 1 150 . 1 1 19 19 THR C C 13 175.196 0.400 . 1 . . . . 19 THR C . 11037 1 151 . 1 1 20 20 LYS N N 15 121.283 0.400 . 1 . . . . 20 LYS N . 11037 1 152 . 1 1 20 20 LYS H H 1 7.922 0.020 . 1 . . . . 20 LYS H . 11037 1 153 . 1 1 20 20 LYS CA C 13 59.495 0.400 . 1 . . . . 20 LYS CA . 11037 1 154 . 1 1 20 20 LYS HA H 1 3.624 0.020 . 1 . . . . 20 LYS HA . 11037 1 155 . 1 1 20 20 LYS CB C 13 32.243 0.400 . 1 . . . . 20 LYS CB . 11037 1 156 . 1 1 20 20 LYS HB2 H 1 1.671 0.020 . 1 . . . . 20 LYS HB2 . 11037 1 157 . 1 1 20 20 LYS HB3 H 1 1.671 0.020 . 1 . . . . 20 LYS HB3 . 11037 1 158 . 1 1 20 20 LYS HG2 H 1 1.214 0.020 . 1 . . . . 20 LYS HG2 . 11037 1 159 . 1 1 20 20 LYS C C 13 178.442 0.400 . 1 . . . . 20 LYS C . 11037 1 160 . 1 1 21 21 ALA N N 15 121.803 0.400 . 1 . . . . 21 ALA N . 11037 1 161 . 1 1 21 21 ALA H H 1 7.575 0.020 . 1 . . . . 21 ALA H . 11037 1 162 . 1 1 21 21 ALA CA C 13 55.035 0.400 . 1 . . . . 21 ALA CA . 11037 1 163 . 1 1 21 21 ALA HA H 1 3.928 0.020 . 1 . . . . 21 ALA HA . 11037 1 164 . 1 1 21 21 ALA CB C 13 18.199 0.400 . 1 . . . . 21 ALA CB . 11037 1 165 . 1 1 21 21 ALA HB1 H 1 1.220 0.020 . 1 . . . . 21 ALA HB1 . 11037 1 166 . 1 1 21 21 ALA HB2 H 1 1.220 0.020 . 1 . . . . 21 ALA HB2 . 11037 1 167 . 1 1 21 21 ALA HB3 H 1 1.220 0.020 . 1 . . . . 21 ALA HB3 . 11037 1 168 . 1 1 21 21 ALA C C 13 180.065 0.400 . 1 . . . . 21 ALA C . 11037 1 169 . 1 1 22 22 LEU N N 15 117.546 0.400 . 1 . . . . 22 LEU N . 11037 1 170 . 1 1 22 22 LEU H H 1 7.722 0.020 . 1 . . . . 22 LEU H . 11037 1 171 . 1 1 22 22 LEU CA C 13 57.459 0.400 . 1 . . . . 22 LEU CA . 11037 1 172 . 1 1 22 22 LEU HA H 1 3.831 0.020 . 1 . . . . 22 LEU HA . 11037 1 173 . 1 1 22 22 LEU CB C 13 42.982 0.400 . 1 . . . . 22 LEU CB . 11037 1 174 . 1 1 22 22 LEU CD1 C 13 26.459 0.400 . 1 . . . . 22 LEU CD1 . 11037 1 175 . 1 1 22 22 LEU HD11 H 1 0.293 0.020 . 2 . . . . 22 LEU HD11 . 11037 1 176 . 1 1 22 22 LEU HD12 H 1 0.293 0.020 . 2 . . . . 22 LEU HD12 . 11037 1 177 . 1 1 22 22 LEU HD13 H 1 0.293 0.020 . 2 . . . . 22 LEU HD13 . 11037 1 178 . 1 1 22 22 LEU CD2 C 13 24.972 0.400 . 1 . . . . 22 LEU CD2 . 11037 1 179 . 1 1 22 22 LEU HD21 H 1 0.576 0.020 . 2 . . . . 22 LEU HD21 . 11037 1 180 . 1 1 22 22 LEU HD22 H 1 0.576 0.020 . 2 . . . . 22 LEU HD22 . 11037 1 181 . 1 1 22 22 LEU HD23 H 1 0.576 0.020 . 2 . . . . 22 LEU HD23 . 11037 1 182 . 1 1 22 22 LEU C C 13 178.251 0.400 . 1 . . . . 22 LEU C . 11037 1 183 . 1 1 23 23 LYS N N 15 116.546 0.400 . 1 . . . . 23 LYS N . 11037 1 184 . 1 1 23 23 LYS H H 1 7.829 0.020 . 1 . . . . 23 LYS H . 11037 1 185 . 1 1 23 23 LYS CA C 13 58.576 0.400 . 1 . . . . 23 LYS CA . 11037 1 186 . 1 1 23 23 LYS HA H 1 3.611 0.020 . 1 . . . . 23 LYS HA . 11037 1 187 . 1 1 23 23 LYS CB C 13 32.209 0.400 . 1 . . . . 23 LYS CB . 11037 1 188 . 1 1 23 23 LYS HB2 H 1 1.607 0.020 . 1 . . . . 23 LYS HB2 . 11037 1 189 . 1 1 23 23 LYS HB3 H 1 1.607 0.020 . 1 . . . . 23 LYS HB3 . 11037 1 190 . 1 1 23 23 LYS C C 13 177.220 0.400 . 1 . . . . 23 LYS C . 11037 1 191 . 1 1 24 24 LYS N N 15 116.648 0.400 . 1 . . . . 24 LYS N . 11037 1 192 . 1 1 24 24 LYS H H 1 6.829 0.020 . 1 . . . . 24 LYS H . 11037 1 193 . 1 1 24 24 LYS CA C 13 56.443 0.400 . 1 . . . . 24 LYS CA . 11037 1 194 . 1 1 24 24 LYS HA H 1 4.043 0.020 . 1 . . . . 24 LYS HA . 11037 1 195 . 1 1 24 24 LYS CB C 13 32.795 0.400 . 1 . . . . 24 LYS CB . 11037 1 196 . 1 1 24 24 LYS HB2 H 1 1.734 0.020 . 1 . . . . 24 LYS HB2 . 11037 1 197 . 1 1 24 24 LYS HB3 H 1 1.734 0.020 . 1 . . . . 24 LYS HB3 . 11037 1 198 . 1 1 24 24 LYS CG C 13 24.964 0.400 . 1 . . . . 24 LYS CG . 11037 1 199 . 1 1 24 24 LYS HG2 H 1 1.435 0.020 . 1 . . . . 24 LYS HG2 . 11037 1 200 . 1 1 24 24 LYS HG3 H 1 1.435 0.020 . 1 . . . . 24 LYS HG3 . 11037 1 201 . 1 1 24 24 LYS C C 13 176.766 0.400 . 1 . . . . 24 LYS C . 11037 1 202 . 1 1 25 25 VAL N N 15 127.007 0.400 . 1 . . . . 25 VAL N . 11037 1 203 . 1 1 25 25 VAL H H 1 7.307 0.020 . 1 . . . . 25 VAL H . 11037 1 204 . 1 1 25 25 VAL CA C 13 61.063 0.400 . 1 . . . . 25 VAL CA . 11037 1 205 . 1 1 25 25 VAL HB H 1 2.038 0.020 . 1 . . . . 25 VAL HB . 11037 1 206 . 1 1 25 25 VAL HG11 H 1 0.895 0.020 . 1 . . . . 25 VAL HG1 . 11037 1 207 . 1 1 25 25 VAL HG12 H 1 0.895 0.020 . 1 . . . . 25 VAL HG1 . 11037 1 208 . 1 1 25 25 VAL HG13 H 1 0.895 0.020 . 1 . . . . 25 VAL HG1 . 11037 1 209 . 1 1 25 25 VAL HG21 H 1 0.895 0.020 . 1 . . . . 25 VAL HG2 . 11037 1 210 . 1 1 25 25 VAL HG22 H 1 0.895 0.020 . 1 . . . . 25 VAL HG2 . 11037 1 211 . 1 1 25 25 VAL HG23 H 1 0.895 0.020 . 1 . . . . 25 VAL HG2 . 11037 1 212 . 1 1 25 25 VAL CG1 C 13 21.071 0.400 . 1 . . . . 25 VAL CG1 . 11037 1 213 . 1 1 25 25 VAL C C 13 174.411 0.400 . 1 . . . . 25 VAL C . 11037 1 214 . 1 1 26 26 PRO CA C 13 64.026 0.400 . 1 . . . . 26 PRO CA . 11037 1 215 . 1 1 26 26 PRO HA H 1 4.079 0.020 . 1 . . . . 26 PRO HA . 11037 1 216 . 1 1 26 26 PRO CB C 13 32.031 0.400 . 1 . . . . 26 PRO CB . 11037 1 217 . 1 1 26 26 PRO C C 13 176.745 0.400 . 1 . . . . 26 PRO C . 11037 1 218 . 1 1 27 27 GLY N N 15 112.588 0.400 . 1 . . . . 27 GLY N . 11037 1 219 . 1 1 27 27 GLY H H 1 8.343 0.020 . 1 . . . . 27 GLY H . 11037 1 220 . 1 1 27 27 GLY CA C 13 44.752 0.400 . 1 . . . . 27 GLY CA . 11037 1 221 . 1 1 27 27 GLY HA2 H 1 3.330 0.020 . 2 . . . . 27 GLY HA2 . 11037 1 222 . 1 1 27 27 GLY HA3 H 1 4.056 0.020 . 2 . . . . 27 GLY HA3 . 11037 1 223 . 1 1 27 27 GLY C C 13 175.229 0.400 . 1 . . . . 27 GLY C . 11037 1 224 . 1 1 28 28 VAL N N 15 123.095 0.400 . 1 . . . . 28 VAL N . 11037 1 225 . 1 1 28 28 VAL H H 1 7.425 0.020 . 1 . . . . 28 VAL H . 11037 1 226 . 1 1 28 28 VAL CA C 13 65.122 0.400 . 1 . . . . 28 VAL CA . 11037 1 227 . 1 1 28 28 VAL HA H 1 3.558 0.020 . 1 . . . . 28 VAL HA . 11037 1 228 . 1 1 28 28 VAL CB C 13 31.829 0.400 . 1 . . . . 28 VAL CB . 11037 1 229 . 1 1 28 28 VAL HB H 1 1.937 0.020 . 1 . . . . 28 VAL HB . 11037 1 230 . 1 1 28 28 VAL CG1 C 13 22.405 0.400 . 1 . . . . 28 VAL CG1 . 11037 1 231 . 1 1 28 28 VAL HG11 H 1 0.541 0.020 . 2 . . . . 28 VAL HG11 . 11037 1 232 . 1 1 28 28 VAL HG12 H 1 0.541 0.020 . 2 . . . . 28 VAL HG12 . 11037 1 233 . 1 1 28 28 VAL HG13 H 1 0.541 0.020 . 2 . . . . 28 VAL HG13 . 11037 1 234 . 1 1 28 28 VAL CG2 C 13 24.889 0.400 . 1 . . . . 28 VAL CG2 . 11037 1 235 . 1 1 28 28 VAL HG21 H 1 0.724 0.020 . 2 . . . . 28 VAL HG21 . 11037 1 236 . 1 1 28 28 VAL HG22 H 1 0.724 0.020 . 2 . . . . 28 VAL HG22 . 11037 1 237 . 1 1 28 28 VAL HG23 H 1 0.724 0.020 . 2 . . . . 28 VAL HG23 . 11037 1 238 . 1 1 28 28 VAL C C 13 176.091 0.400 . 1 . . . . 28 VAL C . 11037 1 239 . 1 1 29 29 GLU N N 15 130.149 0.400 . 1 . . . . 29 GLU N . 11037 1 240 . 1 1 29 29 GLU H H 1 8.969 0.020 . 1 . . . . 29 GLU H . 11037 1 241 . 1 1 29 29 GLU CA C 13 56.509 0.400 . 1 . . . . 29 GLU CA . 11037 1 242 . 1 1 29 29 GLU HA H 1 4.335 0.020 . 1 . . . . 29 GLU HA . 11037 1 243 . 1 1 29 29 GLU CB C 13 31.726 0.400 . 1 . . . . 29 GLU CB . 11037 1 244 . 1 1 29 29 GLU CG C 13 35.853 0.400 . 1 . . . . 29 GLU CG . 11037 1 245 . 1 1 29 29 GLU HG2 H 1 2.122 0.020 . 1 . . . . 29 GLU HG2 . 11037 1 246 . 1 1 29 29 GLU HG3 H 1 2.122 0.020 . 1 . . . . 29 GLU HG3 . 11037 1 247 . 1 1 29 29 GLU C C 13 176.307 0.400 . 1 . . . . 29 GLU C . 11037 1 248 . 1 1 30 30 LYS N N 15 120.072 0.400 . 1 . . . . 30 LYS N . 11037 1 249 . 1 1 30 30 LYS H H 1 7.488 0.020 . 1 . . . . 30 LYS H . 11037 1 250 . 1 1 30 30 LYS CA C 13 55.868 0.400 . 1 . . . . 30 LYS CA . 11037 1 251 . 1 1 30 30 LYS HA H 1 4.384 0.020 . 1 . . . . 30 LYS HA . 11037 1 252 . 1 1 30 30 LYS CB C 13 36.166 0.400 . 1 . . . . 30 LYS CB . 11037 1 253 . 1 1 30 30 LYS HB2 H 1 1.604 0.020 . 1 . . . . 30 LYS HB2 . 11037 1 254 . 1 1 30 30 LYS HB3 H 1 1.604 0.020 . 1 . . . . 30 LYS HB3 . 11037 1 255 . 1 1 30 30 LYS C C 13 173.810 0.400 . 1 . . . . 30 LYS C . 11037 1 256 . 1 1 31 31 VAL N N 15 123.095 0.400 . 1 . . . . 31 VAL N . 11037 1 257 . 1 1 31 31 VAL H H 1 8.340 0.020 . 1 . . . . 31 VAL H . 11037 1 258 . 1 1 31 31 VAL CA C 13 60.165 0.400 . 1 . . . . 31 VAL CA . 11037 1 259 . 1 1 31 31 VAL HA H 1 4.908 0.020 . 1 . . . . 31 VAL HA . 11037 1 260 . 1 1 31 31 VAL CB C 13 35.416 0.400 . 1 . . . . 31 VAL CB . 11037 1 261 . 1 1 31 31 VAL HB H 1 1.694 0.020 . 1 . . . . 31 VAL HB . 11037 1 262 . 1 1 31 31 VAL HG11 H 1 0.702 0.020 . 1 . . . . 31 VAL HG1 . 11037 1 263 . 1 1 31 31 VAL HG12 H 1 0.702 0.020 . 1 . . . . 31 VAL HG1 . 11037 1 264 . 1 1 31 31 VAL HG13 H 1 0.702 0.020 . 1 . . . . 31 VAL HG1 . 11037 1 265 . 1 1 31 31 VAL HG21 H 1 0.702 0.020 . 1 . . . . 31 VAL HG2 . 11037 1 266 . 1 1 31 31 VAL HG22 H 1 0.702 0.020 . 1 . . . . 31 VAL HG2 . 11037 1 267 . 1 1 31 31 VAL HG23 H 1 0.702 0.020 . 1 . . . . 31 VAL HG2 . 11037 1 268 . 1 1 31 31 VAL CG1 C 13 22.352 0.400 . 1 . . . . 31 VAL CG1 . 11037 1 269 . 1 1 31 31 VAL C C 13 173.941 0.400 . 1 . . . . 31 VAL C . 11037 1 270 . 1 1 32 32 GLU N N 15 127.499 0.400 . 1 . . . . 32 GLU N . 11037 1 271 . 1 1 32 32 GLU H H 1 8.532 0.020 . 1 . . . . 32 GLU H . 11037 1 272 . 1 1 32 32 GLU CA C 13 55.531 0.400 . 1 . . . . 32 GLU CA . 11037 1 273 . 1 1 32 32 GLU HA H 1 4.470 0.020 . 1 . . . . 32 GLU HA . 11037 1 274 . 1 1 32 32 GLU CB C 13 32.936 0.400 . 1 . . . . 32 GLU CB . 11037 1 275 . 1 1 32 32 GLU HB2 H 1 1.775 0.020 . 1 . . . . 32 GLU HB2 . 11037 1 276 . 1 1 32 32 GLU HB3 H 1 1.775 0.020 . 1 . . . . 32 GLU HB3 . 11037 1 277 . 1 1 32 32 GLU HG2 H 1 1.946 0.020 . 1 . . . . 32 GLU HG2 . 11037 1 278 . 1 1 32 32 GLU HG3 H 1 1.946 0.020 . 1 . . . . 32 GLU HG3 . 11037 1 279 . 1 1 32 32 GLU C C 13 174.880 0.400 . 1 . . . . 32 GLU C . 11037 1 280 . 1 1 33 33 VAL N N 15 128.447 0.400 . 1 . . . . 33 VAL N . 11037 1 281 . 1 1 33 33 VAL H H 1 8.700 0.020 . 1 . . . . 33 VAL H . 11037 1 282 . 1 1 33 33 VAL CA C 13 61.471 0.400 . 1 . . . . 33 VAL CA . 11037 1 283 . 1 1 33 33 VAL HA H 1 4.444 0.020 . 1 . . . . 33 VAL HA . 11037 1 284 . 1 1 33 33 VAL CB C 13 33.214 0.400 . 1 . . . . 33 VAL CB . 11037 1 285 . 1 1 33 33 VAL HG11 H 1 0.566 0.020 . 1 . . . . 33 VAL HG1 . 11037 1 286 . 1 1 33 33 VAL HG12 H 1 0.566 0.020 . 1 . . . . 33 VAL HG1 . 11037 1 287 . 1 1 33 33 VAL HG13 H 1 0.566 0.020 . 1 . . . . 33 VAL HG1 . 11037 1 288 . 1 1 33 33 VAL HG21 H 1 0.566 0.020 . 1 . . . . 33 VAL HG2 . 11037 1 289 . 1 1 33 33 VAL HG22 H 1 0.566 0.020 . 1 . . . . 33 VAL HG2 . 11037 1 290 . 1 1 33 33 VAL HG23 H 1 0.566 0.020 . 1 . . . . 33 VAL HG2 . 11037 1 291 . 1 1 33 33 VAL CG1 C 13 22.262 0.400 . 1 . . . . 33 VAL CG1 . 11037 1 292 . 1 1 34 34 SER N N 15 121.975 0.400 . 1 . . . . 34 SER N . 11037 1 293 . 1 1 34 34 SER H H 1 8.489 0.020 . 1 . . . . 34 SER H . 11037 1 294 . 1 1 34 34 SER CA C 13 55.087 0.400 . 1 . . . . 34 SER CA . 11037 1 295 . 1 1 34 34 SER HA H 1 4.681 0.020 . 1 . . . . 34 SER HA . 11037 1 296 . 1 1 34 34 SER CB C 13 64.207 0.400 . 1 . . . . 34 SER CB . 11037 1 297 . 1 1 34 34 SER HB2 H 1 3.594 0.020 . 1 . . . . 34 SER HB2 . 11037 1 298 . 1 1 34 34 SER C C 13 175.561 0.400 . 1 . . . . 34 SER C . 11037 1 299 . 1 1 35 35 LEU N N 15 133.515 0.400 . 1 . . . . 35 LEU N . 11037 1 300 . 1 1 35 35 LEU H H 1 8.950 0.020 . 1 . . . . 35 LEU H . 11037 1 301 . 1 1 35 35 LEU CA C 13 57.854 0.400 . 1 . . . . 35 LEU CA . 11037 1 302 . 1 1 35 35 LEU HA H 1 3.774 0.020 . 1 . . . . 35 LEU HA . 11037 1 303 . 1 1 35 35 LEU CB C 13 41.682 0.400 . 1 . . . . 35 LEU CB . 11037 1 304 . 1 1 35 35 LEU HB2 H 1 1.620 0.020 . 1 . . . . 35 LEU HB2 . 11037 1 305 . 1 1 35 35 LEU HB3 H 1 1.620 0.020 . 1 . . . . 35 LEU HB3 . 11037 1 306 . 1 1 35 35 LEU CD1 C 13 23.367 0.400 . 1 . . . . 35 LEU CD1 . 11037 1 307 . 1 1 35 35 LEU HD11 H 1 0.470 0.020 . 2 . . . . 35 LEU HD11 . 11037 1 308 . 1 1 35 35 LEU HD12 H 1 0.470 0.020 . 2 . . . . 35 LEU HD12 . 11037 1 309 . 1 1 35 35 LEU HD13 H 1 0.470 0.020 . 2 . . . . 35 LEU HD13 . 11037 1 310 . 1 1 35 35 LEU CD2 C 13 25.174 0.400 . 1 . . . . 35 LEU CD2 . 11037 1 311 . 1 1 35 35 LEU HD21 H 1 0.569 0.020 . 2 . . . . 35 LEU HD21 . 11037 1 312 . 1 1 35 35 LEU HD22 H 1 0.569 0.020 . 2 . . . . 35 LEU HD22 . 11037 1 313 . 1 1 35 35 LEU HD23 H 1 0.569 0.020 . 2 . . . . 35 LEU HD23 . 11037 1 314 . 1 1 35 35 LEU C C 13 178.516 0.400 . 1 . . . . 35 LEU C . 11037 1 315 . 1 1 36 36 GLU N N 15 119.966 0.400 . 1 . . . . 36 GLU N . 11037 1 316 . 1 1 36 36 GLU H H 1 8.644 0.020 . 1 . . . . 36 GLU H . 11037 1 317 . 1 1 36 36 GLU CA C 13 59.779 0.400 . 1 . . . . 36 GLU CA . 11037 1 318 . 1 1 36 36 GLU HA H 1 3.749 0.020 . 1 . . . . 36 GLU HA . 11037 1 319 . 1 1 36 36 GLU CB C 13 29.145 0.400 . 1 . . . . 36 GLU CB . 11037 1 320 . 1 1 36 36 GLU HB2 H 1 1.798 0.020 . 1 . . . . 36 GLU HB2 . 11037 1 321 . 1 1 36 36 GLU HB3 H 1 1.798 0.020 . 1 . . . . 36 GLU HB3 . 11037 1 322 . 1 1 36 36 GLU HG2 H 1 2.117 0.020 . 1 . . . . 36 GLU HG2 . 11037 1 323 . 1 1 36 36 GLU HG3 H 1 2.117 0.020 . 1 . . . . 36 GLU HG3 . 11037 1 324 . 1 1 36 36 GLU C C 13 178.477 0.400 . 1 . . . . 36 GLU C . 11037 1 325 . 1 1 37 37 LYS N N 15 115.524 0.400 . 1 . . . . 37 LYS N . 11037 1 326 . 1 1 37 37 LYS H H 1 7.607 0.020 . 1 . . . . 37 LYS H . 11037 1 327 . 1 1 37 37 LYS CA C 13 55.697 0.400 . 1 . . . . 37 LYS CA . 11037 1 328 . 1 1 37 37 LYS HA H 1 4.114 0.020 . 1 . . . . 37 LYS HA . 11037 1 329 . 1 1 37 37 LYS CB C 13 33.268 0.400 . 1 . . . . 37 LYS CB . 11037 1 330 . 1 1 37 37 LYS HB2 H 1 1.240 0.020 . 2 . . . . 37 LYS HB2 . 11037 1 331 . 1 1 37 37 LYS HB3 H 1 1.682 0.020 . 2 . . . . 37 LYS HB3 . 11037 1 332 . 1 1 37 37 LYS CG C 13 25.383 0.400 . 1 . . . . 37 LYS CG . 11037 1 333 . 1 1 37 37 LYS HG2 H 1 1.173 0.020 . 1 . . . . 37 LYS HG2 . 11037 1 334 . 1 1 37 37 LYS HG3 H 1 1.173 0.020 . 1 . . . . 37 LYS HG3 . 11037 1 335 . 1 1 37 37 LYS C C 13 177.139 0.400 . 1 . . . . 37 LYS C . 11037 1 336 . 1 1 38 38 GLY N N 15 112.294 0.400 . 1 . . . . 38 GLY N . 11037 1 337 . 1 1 38 38 GLY H H 1 7.685 0.020 . 1 . . . . 38 GLY H . 11037 1 338 . 1 1 38 38 GLY CA C 13 47.114 0.400 . 1 . . . . 38 GLY CA . 11037 1 339 . 1 1 38 38 GLY HA2 H 1 3.475 0.020 . 2 . . . . 38 GLY HA2 . 11037 1 340 . 1 1 38 38 GLY HA3 H 1 3.826 0.020 . 2 . . . . 38 GLY HA3 . 11037 1 341 . 1 1 38 38 GLY C C 13 173.856 0.400 . 1 . . . . 38 GLY C . 11037 1 342 . 1 1 39 39 GLU N N 15 116.782 0.400 . 1 . . . . 39 GLU N . 11037 1 343 . 1 1 39 39 GLU H H 1 7.095 0.020 . 1 . . . . 39 GLU H . 11037 1 344 . 1 1 39 39 GLU CA C 13 53.748 0.400 . 1 . . . . 39 GLU CA . 11037 1 345 . 1 1 39 39 GLU HA H 1 5.312 0.020 . 1 . . . . 39 GLU HA . 11037 1 346 . 1 1 39 39 GLU CG C 13 35.876 0.400 . 1 . . . . 39 GLU CG . 11037 1 347 . 1 1 40 40 ALA N N 15 125.042 0.400 . 1 . . . . 40 ALA N . 11037 1 348 . 1 1 40 40 ALA H H 1 9.139 0.020 . 1 . . . . 40 ALA H . 11037 1 349 . 1 1 40 40 ALA CA C 13 49.726 0.400 . 1 . . . . 40 ALA CA . 11037 1 350 . 1 1 40 40 ALA HA H 1 5.048 0.020 . 1 . . . . 40 ALA HA . 11037 1 351 . 1 1 40 40 ALA CB C 13 22.779 0.400 . 1 . . . . 40 ALA CB . 11037 1 352 . 1 1 40 40 ALA HB1 H 1 0.895 0.020 . 1 . . . . 40 ALA HB1 . 11037 1 353 . 1 1 40 40 ALA HB2 H 1 0.895 0.020 . 1 . . . . 40 ALA HB2 . 11037 1 354 . 1 1 40 40 ALA HB3 H 1 0.895 0.020 . 1 . . . . 40 ALA HB3 . 11037 1 355 . 1 1 40 40 ALA C C 13 174.173 0.400 . 1 . . . . 40 ALA C . 11037 1 356 . 1 1 41 41 LEU N N 15 125.931 0.400 . 1 . . . . 41 LEU N . 11037 1 357 . 1 1 41 41 LEU H H 1 8.876 0.020 . 1 . . . . 41 LEU H . 11037 1 358 . 1 1 41 41 LEU CA C 13 53.663 0.400 . 1 . . . . 41 LEU CA . 11037 1 359 . 1 1 41 41 LEU HA H 1 4.927 0.020 . 1 . . . . 41 LEU HA . 11037 1 360 . 1 1 41 41 LEU CB C 13 43.330 0.400 . 1 . . . . 41 LEU CB . 11037 1 361 . 1 1 41 41 LEU HB2 H 1 1.488 0.020 . 1 . . . . 41 LEU HB2 . 11037 1 362 . 1 1 41 41 LEU HB3 H 1 1.488 0.020 . 1 . . . . 41 LEU HB3 . 11037 1 363 . 1 1 41 41 LEU HD11 H 1 0.712 0.020 . 1 . . . . 41 LEU HD1 . 11037 1 364 . 1 1 41 41 LEU HD12 H 1 0.712 0.020 . 1 . . . . 41 LEU HD1 . 11037 1 365 . 1 1 41 41 LEU HD13 H 1 0.712 0.020 . 1 . . . . 41 LEU HD1 . 11037 1 366 . 1 1 41 41 LEU HD21 H 1 0.712 0.020 . 1 . . . . 41 LEU HD2 . 11037 1 367 . 1 1 41 41 LEU HD22 H 1 0.712 0.020 . 1 . . . . 41 LEU HD2 . 11037 1 368 . 1 1 41 41 LEU HD23 H 1 0.712 0.020 . 1 . . . . 41 LEU HD2 . 11037 1 369 . 1 1 41 41 LEU CD1 C 13 24.638 0.400 . 1 . . . . 41 LEU CD1 . 11037 1 370 . 1 1 41 41 LEU CD2 C 13 24.638 0.400 . 1 . . . . 41 LEU CD2 . 11037 1 371 . 1 1 41 41 LEU C C 13 176.433 0.400 . 1 . . . . 41 LEU C . 11037 1 372 . 1 1 42 42 VAL N N 15 125.467 0.400 . 1 . . . . 42 VAL N . 11037 1 373 . 1 1 42 42 VAL H H 1 8.971 0.020 . 1 . . . . 42 VAL H . 11037 1 374 . 1 1 42 42 VAL CA C 13 60.997 0.400 . 1 . . . . 42 VAL CA . 11037 1 375 . 1 1 42 42 VAL HA H 1 4.664 0.020 . 1 . . . . 42 VAL HA . 11037 1 376 . 1 1 42 42 VAL CB C 13 34.959 0.400 . 1 . . . . 42 VAL CB . 11037 1 377 . 1 1 42 42 VAL HG11 H 1 0.696 0.020 . 1 . . . . 42 VAL HG1 . 11037 1 378 . 1 1 42 42 VAL HG12 H 1 0.696 0.020 . 1 . . . . 42 VAL HG1 . 11037 1 379 . 1 1 42 42 VAL HG13 H 1 0.696 0.020 . 1 . . . . 42 VAL HG1 . 11037 1 380 . 1 1 42 42 VAL HG21 H 1 0.696 0.020 . 1 . . . . 42 VAL HG2 . 11037 1 381 . 1 1 42 42 VAL HG22 H 1 0.696 0.020 . 1 . . . . 42 VAL HG2 . 11037 1 382 . 1 1 42 42 VAL HG23 H 1 0.696 0.020 . 1 . . . . 42 VAL HG2 . 11037 1 383 . 1 1 42 42 VAL CG1 C 13 21.364 0.400 . 1 . . . . 42 VAL CG1 . 11037 1 384 . 1 1 42 42 VAL C C 13 175.036 0.400 . 1 . . . . 42 VAL C . 11037 1 385 . 1 1 43 43 GLU N N 15 129.062 0.400 . 1 . . . . 43 GLU N . 11037 1 386 . 1 1 43 43 GLU H H 1 8.787 0.020 . 1 . . . . 43 GLU H . 11037 1 387 . 1 1 43 43 GLU CA C 13 54.448 0.400 . 1 . . . . 43 GLU CA . 11037 1 388 . 1 1 43 43 GLU HA H 1 4.755 0.020 . 1 . . . . 43 GLU HA . 11037 1 389 . 1 1 43 43 GLU CB C 13 32.194 0.400 . 1 . . . . 43 GLU CB . 11037 1 390 . 1 1 43 43 GLU HB2 H 1 2.004 0.020 . 1 . . . . 43 GLU HB2 . 11037 1 391 . 1 1 43 43 GLU HB3 H 1 2.004 0.020 . 1 . . . . 43 GLU HB3 . 11037 1 392 . 1 1 43 43 GLU HG2 H 1 2.068 0.020 . 1 . . . . 43 GLU HG2 . 11037 1 393 . 1 1 43 43 GLU HG3 H 1 2.068 0.020 . 1 . . . . 43 GLU HG3 . 11037 1 394 . 1 1 43 43 GLU C C 13 175.671 0.400 . 1 . . . . 43 GLU C . 11037 1 395 . 1 1 44 44 GLY N N 15 115.627 0.400 . 1 . . . . 44 GLY N . 11037 1 396 . 1 1 44 44 GLY H H 1 8.824 0.020 . 1 . . . . 44 GLY H . 11037 1 397 . 1 1 44 44 GLY CA C 13 43.967 0.400 . 1 . . . . 44 GLY CA . 11037 1 398 . 1 1 44 44 GLY HA2 H 1 3.817 0.020 . 2 . . . . 44 GLY HA2 . 11037 1 399 . 1 1 44 44 GLY HA3 H 1 4.983 0.020 . 2 . . . . 44 GLY HA3 . 11037 1 400 . 1 1 44 44 GLY C C 13 173.649 0.400 . 1 . . . . 44 GLY C . 11037 1 401 . 1 1 45 45 THR N N 15 114.450 0.400 . 1 . . . . 45 THR N . 11037 1 402 . 1 1 45 45 THR H H 1 8.270 0.020 . 1 . . . . 45 THR H . 11037 1 403 . 1 1 45 45 THR CA C 13 60.787 0.400 . 1 . . . . 45 THR CA . 11037 1 404 . 1 1 45 45 THR HA H 1 4.309 0.020 . 1 . . . . 45 THR HA . 11037 1 405 . 1 1 45 45 THR CB C 13 68.511 0.400 . 1 . . . . 45 THR CB . 11037 1 406 . 1 1 45 45 THR HB H 1 4.338 0.020 . 1 . . . . 45 THR HB . 11037 1 407 . 1 1 45 45 THR HG21 H 1 0.991 0.020 . 1 . . . . 45 THR HG21 . 11037 1 408 . 1 1 45 45 THR HG22 H 1 0.991 0.020 . 1 . . . . 45 THR HG22 . 11037 1 409 . 1 1 45 45 THR HG23 H 1 0.991 0.020 . 1 . . . . 45 THR HG23 . 11037 1 410 . 1 1 45 45 THR C C 13 174.007 0.400 . 1 . . . . 45 THR C . 11037 1 411 . 1 1 46 46 ALA N N 15 126.121 0.400 . 1 . . . . 46 ALA N . 11037 1 412 . 1 1 46 46 ALA H H 1 7.114 0.020 . 1 . . . . 46 ALA H . 11037 1 413 . 1 1 46 46 ALA CA C 13 51.282 0.400 . 1 . . . . 46 ALA CA . 11037 1 414 . 1 1 46 46 ALA HA H 1 4.165 0.020 . 1 . . . . 46 ALA HA . 11037 1 415 . 1 1 46 46 ALA CB C 13 21.311 0.400 . 1 . . . . 46 ALA CB . 11037 1 416 . 1 1 46 46 ALA HB1 H 1 0.960 0.020 . 1 . . . . 46 ALA HB1 . 11037 1 417 . 1 1 46 46 ALA HB2 H 1 0.960 0.020 . 1 . . . . 46 ALA HB2 . 11037 1 418 . 1 1 46 46 ALA HB3 H 1 0.960 0.020 . 1 . . . . 46 ALA HB3 . 11037 1 419 . 1 1 46 46 ALA C C 13 176.160 0.400 . 1 . . . . 46 ALA C . 11037 1 420 . 1 1 47 47 ASP N N 15 124.142 0.400 . 1 . . . . 47 ASP N . 11037 1 421 . 1 1 47 47 ASP H H 1 8.373 0.020 . 1 . . . . 47 ASP H . 11037 1 422 . 1 1 47 47 ASP CA C 13 51.309 0.400 . 1 . . . . 47 ASP CA . 11037 1 423 . 1 1 47 47 ASP CB C 13 42.002 0.400 . 1 . . . . 47 ASP CB . 11037 1 424 . 1 1 47 47 ASP HB2 H 1 2.564 0.020 . 1 . . . . 47 ASP HB2 . 11037 1 425 . 1 1 47 47 ASP HB3 H 1 2.564 0.020 . 1 . . . . 47 ASP HB3 . 11037 1 426 . 1 1 48 48 PRO CA C 13 65.323 0.400 . 1 . . . . 48 PRO CA . 11037 1 427 . 1 1 48 48 PRO HA H 1 3.857 0.020 . 1 . . . . 48 PRO HA . 11037 1 428 . 1 1 48 48 PRO CB C 13 32.408 0.400 . 1 . . . . 48 PRO CB . 11037 1 429 . 1 1 48 48 PRO C C 13 178.193 0.400 . 1 . . . . 48 PRO C . 11037 1 430 . 1 1 49 49 LYS N N 15 117.181 0.400 . 1 . . . . 49 LYS N . 11037 1 431 . 1 1 49 49 LYS H H 1 7.996 0.020 . 1 . . . . 49 LYS H . 11037 1 432 . 1 1 49 49 LYS CA C 13 59.291 0.400 . 1 . . . . 49 LYS CA . 11037 1 433 . 1 1 49 49 LYS HA H 1 3.814 0.020 . 1 . . . . 49 LYS HA . 11037 1 434 . 1 1 49 49 LYS CB C 13 31.571 0.400 . 1 . . . . 49 LYS CB . 11037 1 435 . 1 1 49 49 LYS HB2 H 1 1.667 0.020 . 1 . . . . 49 LYS HB2 . 11037 1 436 . 1 1 49 49 LYS HB3 H 1 1.667 0.020 . 1 . . . . 49 LYS HB3 . 11037 1 437 . 1 1 49 49 LYS HG2 H 1 1.396 0.020 . 1 . . . . 49 LYS HG2 . 11037 1 438 . 1 1 49 49 LYS HG3 H 1 1.396 0.020 . 1 . . . . 49 LYS HG3 . 11037 1 439 . 1 1 49 49 LYS C C 13 179.346 0.400 . 1 . . . . 49 LYS C . 11037 1 440 . 1 1 50 50 ALA N N 15 123.716 0.400 . 1 . . . . 50 ALA N . 11037 1 441 . 1 1 50 50 ALA H H 1 7.284 0.020 . 1 . . . . 50 ALA H . 11037 1 442 . 1 1 50 50 ALA CA C 13 54.115 0.400 . 1 . . . . 50 ALA CA . 11037 1 443 . 1 1 50 50 ALA HA H 1 4.037 0.020 . 1 . . . . 50 ALA HA . 11037 1 444 . 1 1 50 50 ALA CB C 13 18.612 0.400 . 1 . . . . 50 ALA CB . 11037 1 445 . 1 1 50 50 ALA HB1 H 1 1.417 0.020 . 1 . . . . 50 ALA HB1 . 11037 1 446 . 1 1 50 50 ALA HB2 H 1 1.417 0.020 . 1 . . . . 50 ALA HB2 . 11037 1 447 . 1 1 50 50 ALA HB3 H 1 1.417 0.020 . 1 . . . . 50 ALA HB3 . 11037 1 448 . 1 1 50 50 ALA C C 13 180.825 0.400 . 1 . . . . 50 ALA C . 11037 1 449 . 1 1 51 51 LEU N N 15 120.039 0.400 . 1 . . . . 51 LEU N . 11037 1 450 . 1 1 51 51 LEU H H 1 7.403 0.020 . 1 . . . . 51 LEU H . 11037 1 451 . 1 1 51 51 LEU CA C 13 57.567 0.400 . 1 . . . . 51 LEU CA . 11037 1 452 . 1 1 51 51 LEU HA H 1 3.845 0.020 . 1 . . . . 51 LEU HA . 11037 1 453 . 1 1 51 51 LEU CB C 13 41.285 0.400 . 1 . . . . 51 LEU CB . 11037 1 454 . 1 1 51 51 LEU HB2 H 1 0.949 0.020 . 2 . . . . 51 LEU HB2 . 11037 1 455 . 1 1 51 51 LEU HB3 H 1 1.910 0.020 . 2 . . . . 51 LEU HB3 . 11037 1 456 . 1 1 51 51 LEU CD1 C 13 23.173 0.400 . 1 . . . . 51 LEU CD1 . 11037 1 457 . 1 1 51 51 LEU HD11 H 1 0.538 0.020 . 2 . . . . 51 LEU HD11 . 11037 1 458 . 1 1 51 51 LEU HD12 H 1 0.538 0.020 . 2 . . . . 51 LEU HD12 . 11037 1 459 . 1 1 51 51 LEU HD13 H 1 0.538 0.020 . 2 . . . . 51 LEU HD13 . 11037 1 460 . 1 1 51 51 LEU CD2 C 13 27.165 0.400 . 1 . . . . 51 LEU CD2 . 11037 1 461 . 1 1 51 51 LEU HD21 H 1 0.603 0.020 . 2 . . . . 51 LEU HD21 . 11037 1 462 . 1 1 51 51 LEU HD22 H 1 0.603 0.020 . 2 . . . . 51 LEU HD22 . 11037 1 463 . 1 1 51 51 LEU HD23 H 1 0.603 0.020 . 2 . . . . 51 LEU HD23 . 11037 1 464 . 1 1 51 51 LEU C C 13 177.422 0.400 . 1 . . . . 51 LEU C . 11037 1 465 . 1 1 52 52 VAL N N 15 118.874 0.400 . 1 . . . . 52 VAL N . 11037 1 466 . 1 1 52 52 VAL H H 1 7.453 0.020 . 1 . . . . 52 VAL H . 11037 1 467 . 1 1 52 52 VAL CA C 13 66.873 0.400 . 1 . . . . 52 VAL CA . 11037 1 468 . 1 1 52 52 VAL HA H 1 3.125 0.020 . 1 . . . . 52 VAL HA . 11037 1 469 . 1 1 52 52 VAL HB H 1 1.921 0.020 . 1 . . . . 52 VAL HB . 11037 1 470 . 1 1 52 52 VAL HG11 H 1 0.782 0.020 . 1 . . . . 52 VAL HG1 . 11037 1 471 . 1 1 52 52 VAL HG12 H 1 0.782 0.020 . 1 . . . . 52 VAL HG1 . 11037 1 472 . 1 1 52 52 VAL HG13 H 1 0.782 0.020 . 1 . . . . 52 VAL HG1 . 11037 1 473 . 1 1 52 52 VAL HG21 H 1 0.782 0.020 . 1 . . . . 52 VAL HG2 . 11037 1 474 . 1 1 52 52 VAL HG22 H 1 0.782 0.020 . 1 . . . . 52 VAL HG2 . 11037 1 475 . 1 1 52 52 VAL HG23 H 1 0.782 0.020 . 1 . . . . 52 VAL HG2 . 11037 1 476 . 1 1 52 52 VAL CG1 C 13 22.707 0.400 . 1 . . . . 52 VAL CG1 . 11037 1 477 . 1 1 52 52 VAL C C 13 177.992 0.400 . 1 . . . . 52 VAL C . 11037 1 478 . 1 1 53 53 GLN N N 15 119.676 0.400 . 1 . . . . 53 GLN N . 11037 1 479 . 1 1 53 53 GLN H H 1 7.755 0.020 . 1 . . . . 53 GLN H . 11037 1 480 . 1 1 53 53 GLN CA C 13 58.813 0.400 . 1 . . . . 53 GLN CA . 11037 1 481 . 1 1 53 53 GLN HA H 1 3.908 0.020 . 1 . . . . 53 GLN HA . 11037 1 482 . 1 1 53 53 GLN CB C 13 28.487 0.400 . 1 . . . . 53 GLN CB . 11037 1 483 . 1 1 53 53 GLN HB2 H 1 1.985 0.020 . 1 . . . . 53 GLN HB2 . 11037 1 484 . 1 1 53 53 GLN HB3 H 1 1.985 0.020 . 1 . . . . 53 GLN HB3 . 11037 1 485 . 1 1 53 53 GLN CG C 13 33.753 0.400 . 1 . . . . 53 GLN CG . 11037 1 486 . 1 1 53 53 GLN HG3 H 1 2.421 0.020 . 1 . . . . 53 GLN HG3 . 11037 1 487 . 1 1 53 53 GLN NE2 N 15 113.584 0.400 . 1 . . . . 53 GLN NE2 . 11037 1 488 . 1 1 53 53 GLN HE21 H 1 6.615 0.020 . 2 . . . . 53 GLN HE21 . 11037 1 489 . 1 1 53 53 GLN HE22 H 1 7.470 0.020 . 2 . . . . 53 GLN HE22 . 11037 1 490 . 1 1 53 53 GLN C C 13 177.729 0.400 . 1 . . . . 53 GLN C . 11037 1 491 . 1 1 54 54 ALA N N 15 121.887 0.400 . 1 . . . . 54 ALA N . 11037 1 492 . 1 1 54 54 ALA H H 1 7.569 0.020 . 1 . . . . 54 ALA H . 11037 1 493 . 1 1 54 54 ALA CA C 13 54.878 0.400 . 1 . . . . 54 ALA CA . 11037 1 494 . 1 1 54 54 ALA HA H 1 3.914 0.020 . 1 . . . . 54 ALA HA . 11037 1 495 . 1 1 54 54 ALA CB C 13 18.129 0.400 . 1 . . . . 54 ALA CB . 11037 1 496 . 1 1 54 54 ALA HB1 H 1 1.220 0.020 . 1 . . . . 54 ALA HB1 . 11037 1 497 . 1 1 54 54 ALA HB2 H 1 1.220 0.020 . 1 . . . . 54 ALA HB2 . 11037 1 498 . 1 1 54 54 ALA HB3 H 1 1.220 0.020 . 1 . . . . 54 ALA HB3 . 11037 1 499 . 1 1 54 54 ALA C C 13 180.182 0.400 . 1 . . . . 54 ALA C . 11037 1 500 . 1 1 55 55 VAL N N 15 117.814 0.400 . 1 . . . . 55 VAL N . 11037 1 501 . 1 1 55 55 VAL H H 1 7.218 0.020 . 1 . . . . 55 VAL H . 11037 1 502 . 1 1 55 55 VAL CA C 13 66.606 0.400 . 1 . . . . 55 VAL CA . 11037 1 503 . 1 1 55 55 VAL HA H 1 3.338 0.020 . 1 . . . . 55 VAL HA . 11037 1 504 . 1 1 55 55 VAL HB H 1 1.931 0.020 . 1 . . . . 55 VAL HB . 11037 1 505 . 1 1 55 55 VAL CG1 C 13 24.153 0.400 . 1 . . . . 55 VAL CG1 . 11037 1 506 . 1 1 55 55 VAL HG11 H 1 0.787 0.020 . 1 . . . . 55 VAL HG11 . 11037 1 507 . 1 1 55 55 VAL HG12 H 1 0.787 0.020 . 1 . . . . 55 VAL HG12 . 11037 1 508 . 1 1 55 55 VAL HG13 H 1 0.787 0.020 . 1 . . . . 55 VAL HG13 . 11037 1 509 . 1 1 55 55 VAL HG21 H 1 0.787 0.020 . 1 . . . . 55 VAL HG21 . 11037 1 510 . 1 1 55 55 VAL HG22 H 1 0.787 0.020 . 1 . . . . 55 VAL HG22 . 11037 1 511 . 1 1 55 55 VAL HG23 H 1 0.787 0.020 . 1 . . . . 55 VAL HG23 . 11037 1 512 . 1 1 55 55 VAL C C 13 178.277 0.400 . 1 . . . . 55 VAL C . 11037 1 513 . 1 1 56 56 GLU N N 15 122.928 0.400 . 1 . . . . 56 GLU N . 11037 1 514 . 1 1 56 56 GLU H H 1 8.305 0.020 . 1 . . . . 56 GLU H . 11037 1 515 . 1 1 56 56 GLU CA C 13 58.965 0.400 . 1 . . . . 56 GLU CA . 11037 1 516 . 1 1 56 56 GLU HA H 1 4.510 0.020 . 1 . . . . 56 GLU HA . 11037 1 517 . 1 1 56 56 GLU HB2 H 1 1.870 0.020 . 1 . . . . 56 GLU HB2 . 11037 1 518 . 1 1 56 56 GLU HG2 H 1 2.276 0.020 . 2 . . . . 56 GLU HG2 . 11037 1 519 . 1 1 56 56 GLU HG3 H 1 2.534 0.020 . 2 . . . . 56 GLU HG3 . 11037 1 520 . 1 1 56 56 GLU C C 13 182.114 0.400 . 1 . . . . 56 GLU C . 11037 1 521 . 1 1 57 57 GLU N N 15 122.586 0.400 . 1 . . . . 57 GLU N . 11037 1 522 . 1 1 57 57 GLU H H 1 8.304 0.020 . 1 . . . . 57 GLU H . 11037 1 523 . 1 1 57 57 GLU CA C 13 58.721 0.400 . 1 . . . . 57 GLU CA . 11037 1 524 . 1 1 57 57 GLU HA H 1 3.902 0.020 . 1 . . . . 57 GLU HA . 11037 1 525 . 1 1 57 57 GLU CB C 13 29.005 0.400 . 1 . . . . 57 GLU CB . 11037 1 526 . 1 1 57 57 GLU HB2 H 1 1.985 0.020 . 1 . . . . 57 GLU HB2 . 11037 1 527 . 1 1 57 57 GLU HB3 H 1 1.985 0.020 . 1 . . . . 57 GLU HB3 . 11037 1 528 . 1 1 57 57 GLU CG C 13 35.761 0.400 . 1 . . . . 57 GLU CG . 11037 1 529 . 1 1 57 57 GLU HG2 H 1 2.220 0.020 . 2 . . . . 57 GLU HG2 . 11037 1 530 . 1 1 57 57 GLU HG3 H 1 2.448 0.020 . 2 . . . . 57 GLU HG3 . 11037 1 531 . 1 1 57 57 GLU C C 13 177.939 0.400 . 1 . . . . 57 GLU C . 11037 1 532 . 1 1 58 58 GLU N N 15 117.886 0.400 . 1 . . . . 58 GLU N . 11037 1 533 . 1 1 58 58 GLU H H 1 7.099 0.020 . 1 . . . . 58 GLU H . 11037 1 534 . 1 1 58 58 GLU CA C 13 55.325 0.400 . 1 . . . . 58 GLU CA . 11037 1 535 . 1 1 58 58 GLU HA H 1 4.212 0.020 . 1 . . . . 58 GLU HA . 11037 1 536 . 1 1 58 58 GLU CB C 13 29.185 0.400 . 1 . . . . 58 GLU CB . 11037 1 537 . 1 1 58 58 GLU HB2 H 1 1.965 0.020 . 2 . . . . 58 GLU HB2 . 11037 1 538 . 1 1 58 58 GLU HB3 H 1 2.397 0.020 . 2 . . . . 58 GLU HB3 . 11037 1 539 . 1 1 58 58 GLU HG2 H 1 2.225 0.020 . 1 . . . . 58 GLU HG2 . 11037 1 540 . 1 1 58 58 GLU HG3 H 1 2.225 0.020 . 1 . . . . 58 GLU HG3 . 11037 1 541 . 1 1 58 58 GLU C C 13 175.858 0.400 . 1 . . . . 58 GLU C . 11037 1 542 . 1 1 59 59 GLY N N 15 106.193 0.400 . 1 . . . . 59 GLY N . 11037 1 543 . 1 1 59 59 GLY H H 1 7.633 0.020 . 1 . . . . 59 GLY H . 11037 1 544 . 1 1 59 59 GLY CA C 13 44.183 0.400 . 1 . . . . 59 GLY CA . 11037 1 545 . 1 1 59 59 GLY HA2 H 1 3.388 0.020 . 2 . . . . 59 GLY HA2 . 11037 1 546 . 1 1 59 59 GLY HA3 H 1 3.862 0.020 . 2 . . . . 59 GLY HA3 . 11037 1 547 . 1 1 59 59 GLY C C 13 173.501 0.400 . 1 . . . . 59 GLY C . 11037 1 548 . 1 1 60 60 TYR N N 15 121.476 0.400 . 1 . . . . 60 TYR N . 11037 1 549 . 1 1 60 60 TYR H H 1 6.990 0.020 . 1 . . . . 60 TYR H . 11037 1 550 . 1 1 60 60 TYR CA C 13 23.573 0.400 . 1 . . . . 60 TYR CA . 11037 1 551 . 1 1 60 60 TYR HA H 1 4.510 0.020 . 1 . . . . 60 TYR HA . 11037 1 552 . 1 1 60 60 TYR CB C 13 39.363 0.400 . 1 . . . . 60 TYR CB . 11037 1 553 . 1 1 60 60 TYR HB2 H 1 2.149 0.020 . 2 . . . . 60 TYR HB2 . 11037 1 554 . 1 1 60 60 TYR HB3 H 1 3.008 0.020 . 2 . . . . 60 TYR HB3 . 11037 1 555 . 1 1 60 60 TYR CD1 C 13 132.624 0.400 . 1 . . . . 60 TYR CD1 . 11037 1 556 . 1 1 60 60 TYR HD1 H 1 6.624 0.020 . 1 . . . . 60 TYR HD1 . 11037 1 557 . 1 1 60 60 TYR HE1 H 1 6.654 0.020 . 1 . . . . 60 TYR HE1 . 11037 1 558 . 1 1 60 60 TYR HE2 H 1 6.654 0.020 . 1 . . . . 60 TYR HE2 . 11037 1 559 . 1 1 60 60 TYR HD2 H 1 6.624 0.020 . 1 . . . . 60 TYR HD2 . 11037 1 560 . 1 1 60 60 TYR C C 13 173.323 0.400 . 1 . . . . 60 TYR C . 11037 1 561 . 1 1 61 61 LYS N N 15 121.259 0.400 . 1 . . . . 61 LYS N . 11037 1 562 . 1 1 61 61 LYS H H 1 7.663 0.020 . 1 . . . . 61 LYS H . 11037 1 563 . 1 1 61 61 LYS CA C 13 22.056 0.400 . 1 . . . . 61 LYS CA . 11037 1 564 . 1 1 61 61 LYS HA H 1 4.552 0.020 . 1 . . . . 61 LYS HA . 11037 1 565 . 1 1 61 61 LYS CB C 13 34.445 0.400 . 1 . . . . 61 LYS CB . 11037 1 566 . 1 1 61 61 LYS C C 13 175.300 0.400 . 1 . . . . 61 LYS C . 11037 1 567 . 1 1 62 62 ALA N N 15 126.539 0.400 . 1 . . . . 62 ALA N . 11037 1 568 . 1 1 62 62 ALA H H 1 8.817 0.020 . 1 . . . . 62 ALA H . 11037 1 569 . 1 1 62 62 ALA CA C 13 17.007 0.400 . 1 . . . . 62 ALA CA . 11037 1 570 . 1 1 62 62 ALA HA H 1 5.632 0.020 . 1 . . . . 62 ALA HA . 11037 1 571 . 1 1 62 62 ALA CB C 13 23.960 0.400 . 1 . . . . 62 ALA CB . 11037 1 572 . 1 1 62 62 ALA HB1 H 1 1.186 0.020 . 1 . . . . 62 ALA HB1 . 11037 1 573 . 1 1 62 62 ALA HB2 H 1 1.186 0.020 . 1 . . . . 62 ALA HB2 . 11037 1 574 . 1 1 62 62 ALA HB3 H 1 1.186 0.020 . 1 . . . . 62 ALA HB3 . 11037 1 575 . 1 1 62 62 ALA C C 13 175.418 0.400 . 1 . . . . 62 ALA C . 11037 1 576 . 1 1 63 63 GLU N N 15 118.233 0.400 . 1 . . . . 63 GLU N . 11037 1 577 . 1 1 63 63 GLU H H 1 8.201 0.020 . 1 . . . . 63 GLU H . 11037 1 578 . 1 1 63 63 GLU CA C 13 21.289 0.400 . 1 . . . . 63 GLU CA . 11037 1 579 . 1 1 63 63 GLU HA H 1 4.465 0.020 . 1 . . . . 63 GLU HA . 11037 1 580 . 1 1 63 63 GLU CB C 13 33.446 0.400 . 1 . . . . 63 GLU CB . 11037 1 581 . 1 1 63 63 GLU HB2 H 1 1.834 0.020 . 1 . . . . 63 GLU HB2 . 11037 1 582 . 1 1 63 63 GLU HB3 H 1 1.834 0.020 . 1 . . . . 63 GLU HB3 . 11037 1 583 . 1 1 63 63 GLU CG C 13 35.881 0.400 . 1 . . . . 63 GLU CG . 11037 1 584 . 1 1 63 63 GLU HG2 H 1 2.075 0.020 . 1 . . . . 63 GLU HG2 . 11037 1 585 . 1 1 63 63 GLU HG3 H 1 2.075 0.020 . 1 . . . . 63 GLU HG3 . 11037 1 586 . 1 1 63 63 GLU C C 13 174.573 0.400 . 1 . . . . 63 GLU C . 11037 1 587 . 1 1 64 64 VAL N N 15 126.338 0.400 . 1 . . . . 64 VAL N . 11037 1 588 . 1 1 64 64 VAL H H 1 8.737 0.020 . 1 . . . . 64 VAL H . 11037 1 589 . 1 1 64 64 VAL CA C 13 30.448 0.400 . 1 . . . . 64 VAL CA . 11037 1 590 . 1 1 64 64 VAL HA H 1 3.954 0.020 . 1 . . . . 64 VAL HA . 11037 1 591 . 1 1 64 64 VAL CB C 13 31.947 0.400 . 1 . . . . 64 VAL CB . 11037 1 592 . 1 1 64 64 VAL CG1 C 13 21.973 0.400 . 1 . . . . 64 VAL CG1 . 11037 1 593 . 1 1 64 64 VAL HG11 H 1 0.791 0.020 . 2 . . . . 64 VAL HG11 . 11037 1 594 . 1 1 64 64 VAL HG12 H 1 0.791 0.020 . 2 . . . . 64 VAL HG12 . 11037 1 595 . 1 1 64 64 VAL HG13 H 1 0.791 0.020 . 2 . . . . 64 VAL HG13 . 11037 1 596 . 1 1 64 64 VAL CG2 C 13 21.263 0.400 . 1 . . . . 64 VAL CG2 . 11037 1 597 . 1 1 64 64 VAL HG21 H 1 0.847 0.020 . 2 . . . . 64 VAL HG21 . 11037 1 598 . 1 1 64 64 VAL HG22 H 1 0.847 0.020 . 2 . . . . 64 VAL HG22 . 11037 1 599 . 1 1 64 64 VAL HG23 H 1 0.847 0.020 . 2 . . . . 64 VAL HG23 . 11037 1 600 . 1 1 64 64 VAL C C 13 175.911 0.400 . 1 . . . . 64 VAL C . 11037 1 601 . 1 1 65 65 LEU N N 15 132.386 0.400 . 1 . . . . 65 LEU N . 11037 1 602 . 1 1 65 65 LEU H H 1 8.602 0.020 . 1 . . . . 65 LEU H . 11037 1 603 . 1 1 65 65 LEU CA C 13 21.296 0.400 . 1 . . . . 65 LEU CA . 11037 1 604 . 1 1 65 65 LEU HA H 1 4.389 0.020 . 1 . . . . 65 LEU HA . 11037 1 605 . 1 1 65 65 LEU CB C 13 42.617 0.400 . 1 . . . . 65 LEU CB . 11037 1 606 . 1 1 65 65 LEU HB2 H 1 1.437 0.020 . 1 . . . . 65 LEU HB2 . 11037 1 607 . 1 1 65 65 LEU HB3 H 1 1.437 0.020 . 1 . . . . 65 LEU HB3 . 11037 1 608 . 1 1 65 65 LEU CD1 C 13 22.936 0.400 . 1 . . . . 65 LEU CD1 . 11037 1 609 . 1 1 65 65 LEU HD11 H 1 0.729 0.020 . 2 . . . . 65 LEU HD11 . 11037 1 610 . 1 1 65 65 LEU HD12 H 1 0.729 0.020 . 2 . . . . 65 LEU HD12 . 11037 1 611 . 1 1 65 65 LEU HD13 H 1 0.729 0.020 . 2 . . . . 65 LEU HD13 . 11037 1 612 . 1 1 65 65 LEU CD2 C 13 25.179 0.400 . 1 . . . . 65 LEU CD2 . 11037 1 613 . 1 1 65 65 LEU HD21 H 1 0.742 0.020 . 2 . . . . 65 LEU HD21 . 11037 1 614 . 1 1 65 65 LEU HD22 H 1 0.742 0.020 . 2 . . . . 65 LEU HD22 . 11037 1 615 . 1 1 65 65 LEU HD23 H 1 0.742 0.020 . 2 . . . . 65 LEU HD23 . 11037 1 616 . 1 1 65 65 LEU C C 13 175.334 0.400 . 1 . . . . 65 LEU C . 11037 1 617 . 1 1 66 66 ALA N N 15 132.339 0.400 . 1 . . . . 66 ALA N . 11037 1 618 . 1 1 66 66 ALA H H 1 7.799 0.020 . 1 . . . . 66 ALA H . 11037 1 619 . 1 1 66 66 ALA CA C 13 20.565 0.400 . 1 . . . . 66 ALA CA . 11037 1 620 . 1 1 66 66 ALA HA H 1 4.001 0.020 . 1 . . . . 66 ALA HA . 11037 1 621 . 1 1 66 66 ALA CB C 13 20.206 0.400 . 1 . . . . 66 ALA CB . 11037 1 622 . 1 1 66 66 ALA HB1 H 1 1.185 0.020 . 1 . . . . 66 ALA HB1 . 11037 1 623 . 1 1 66 66 ALA HB2 H 1 1.185 0.020 . 1 . . . . 66 ALA HB2 . 11037 1 624 . 1 1 66 66 ALA HB3 H 1 1.185 0.020 . 1 . . . . 66 ALA HB3 . 11037 1 625 . 1 1 66 66 ALA C C 13 182.224 0.400 . 1 . . . . 66 ALA C . 11037 1 stop_ save_