################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'mEpoR-TM monomer in DPC' _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 $chem_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' . . . 51401 1 2 '2D 1H-13C HSQC' . . . 51401 1 3 '3D HNCA' . . . 51401 1 4 '3D HNCACB' . . . 51401 1 5 '3D (H)CCH-TOCSY' . . . 51401 1 6 '3D HCCH-TOCSY' . . . 51401 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51401 1 2 $software_2 . . 51401 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 HIS HA H 1 4.721 0.001 . . . . . . . 2 H HA . 51401 1 2 . 1 . 1 2 2 HIS HB2 H 1 2.888 0.000 . . . . . . . 2 H HB1 . 51401 1 3 . 1 . 1 2 2 HIS HB3 H 1 2.921 0.000 . . . . . . . 2 H HB2 . 51401 1 4 . 1 . 1 2 2 HIS CA C 13 55.511 0.022 . . . . . . . 2 H CA . 51401 1 5 . 1 . 1 2 2 HIS CB C 13 29.749 0.044 . . . . . . . 2 H CB . 51401 1 6 . 1 . 1 3 3 HIS H H 1 8.633 0.006 . . . . . . . 3 H H . 51401 1 7 . 1 . 1 3 3 HIS HA H 1 4.874 0.006 . . . . . . . 3 H HA . 51401 1 8 . 1 . 1 3 3 HIS HB2 H 1 3.306 0.002 . . . . . . . 3 H HB1 . 51401 1 9 . 1 . 1 3 3 HIS HB3 H 1 3.016 0.004 . . . . . . . 3 H HB2 . 51401 1 10 . 1 . 1 3 3 HIS CA C 13 55.081 0.047 . . . . . . . 3 H CA . 51401 1 11 . 1 . 1 3 3 HIS CB C 13 30.211 0.075 . . . . . . . 3 H CB . 51401 1 12 . 1 . 1 3 3 HIS N N 15 118.902 0.011 . . . . . . . 3 H N . 51401 1 13 . 1 . 1 4 4 TRP H H 1 8.550 0.009 . . . . . . . 4 W H . 51401 1 14 . 1 . 1 4 4 TRP HA H 1 4.434 0.000 . . . . . . . 4 W HA . 51401 1 15 . 1 . 1 4 4 TRP HB2 H 1 3.311 0.010 . . . . . . . 4 W HB . 51401 1 16 . 1 . 1 4 4 TRP HB3 H 1 3.311 0.010 . . . . . . . 4 W HB . 51401 1 17 . 1 . 1 4 4 TRP HE1 H 1 10.457 0.000 . . . . . . . 4 W HE1 . 51401 1 18 . 1 . 1 4 4 TRP CA C 13 58.601 0.027 . . . . . . . 4 W CA . 51401 1 19 . 1 . 1 4 4 TRP CB C 13 29.064 0.054 . . . . . . . 4 W CB . 51401 1 20 . 1 . 1 4 4 TRP N N 15 120.519 0.043 . . . . . . . 4 W N . 51401 1 21 . 1 . 1 4 4 TRP NE1 N 15 129.763 0.000 . . . . . . . 4 W NE1 . 51401 1 22 . 1 . 1 5 5 ASN H H 1 7.421 0.011 . . . . . . . 5 N H . 51401 1 23 . 1 . 1 5 5 ASN HB2 H 1 2.676 0.000 . . . . . . . 5 N HB1 . 51401 1 24 . 1 . 1 5 5 ASN HB3 H 1 1.760 0.000 . . . . . . . 5 N HB2 . 51401 1 25 . 1 . 1 5 5 ASN CA C 13 68.308 0.012 . . . . . . . 5 N CA . 51401 1 26 . 1 . 1 5 5 ASN CB C 13 36.784 0.042 . . . . . . . 5 N CB . 51401 1 27 . 1 . 1 5 5 ASN N N 15 111.633 0.029 . . . . . . . 5 N N . 51401 1 28 . 1 . 1 6 6 ASP H H 1 7.628 0.003 . . . . . . . 6 D H . 51401 1 29 . 1 . 1 6 6 ASP CA C 13 52.898 0.000 . . . . . . . 6 D CA . 51401 1 30 . 1 . 1 6 6 ASP CB C 13 41.535 0.000 . . . . . . . 6 D CB . 51401 1 31 . 1 . 1 6 6 ASP N N 15 121.273 0.025 . . . . . . . 6 D N . 51401 1 32 . 1 . 1 7 7 PRO HA H 1 4.194 0.009 . . . . . . . 7 P HA . 51401 1 33 . 1 . 1 7 7 PRO HB2 H 1 2.325 0.002 . . . . . . . 7 P HB . 51401 1 34 . 1 . 1 7 7 PRO HB3 H 1 2.325 0.002 . . . . . . . 7 P HB . 51401 1 35 . 1 . 1 7 7 PRO HG2 H 1 2.022 0.004 . . . . . . . 7 P HG . 51401 1 36 . 1 . 1 7 7 PRO HG3 H 1 2.022 0.004 . . . . . . . 7 P HG . 51401 1 37 . 1 . 1 7 7 PRO HD2 H 1 3.926 0.002 . . . . . . . 7 P HD1 . 51401 1 38 . 1 . 1 7 7 PRO HD3 H 1 3.997 0.012 . . . . . . . 7 P HD2 . 51401 1 39 . 1 . 1 7 7 PRO CA C 13 65.869 0.077 . . . . . . . 7 P CA . 51401 1 40 . 1 . 1 7 7 PRO CB C 13 32.348 0.036 . . . . . . . 7 P CB . 51401 1 41 . 1 . 1 7 7 PRO CG C 13 27.725 0.036 . . . . . . . 7 P CG . 51401 1 42 . 1 . 1 7 7 PRO CD C 13 50.754 0.000 . . . . . . . 7 P CD . 51401 1 43 . 1 . 1 8 8 LEU H H 1 8.746 0.004 . . . . . . . 8 L H . 51401 1 44 . 1 . 1 8 8 LEU HA H 1 4.111 0.006 . . . . . . . 8 L HA . 51401 1 45 . 1 . 1 8 8 LEU HB2 H 1 1.765 0.003 . . . . . . . 8 L HB . 51401 1 46 . 1 . 1 8 8 LEU HB3 H 1 1.765 0.003 . . . . . . . 8 L HB . 51401 1 47 . 1 . 1 8 8 LEU HG H 1 1.627 0.003 . . . . . . . 8 L HG . 51401 1 48 . 1 . 1 8 8 LEU HD11 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 49 . 1 . 1 8 8 LEU HD12 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 50 . 1 . 1 8 8 LEU HD13 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 51 . 1 . 1 8 8 LEU HD21 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 52 . 1 . 1 8 8 LEU HD22 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 53 . 1 . 1 8 8 LEU HD23 H 1 0.954 0.000 . . . . . . . 8 L HD . 51401 1 54 . 1 . 1 8 8 LEU CA C 13 58.641 0.049 . . . . . . . 8 L CA . 51401 1 55 . 1 . 1 8 8 LEU CB C 13 41.901 0.053 . . . . . . . 8 L CB . 51401 1 56 . 1 . 1 8 8 LEU CG C 13 27.390 0.017 . . . . . . . 8 L CG . 51401 1 57 . 1 . 1 8 8 LEU CD1 C 13 25.174 0.000 . . . . . . . 8 L CD1 . 51401 1 58 . 1 . 1 8 8 LEU CD2 C 13 24.200 0.075 . . . . . . . 8 L CD2 . 51401 1 59 . 1 . 1 8 8 LEU N N 15 119.724 0.013 . . . . . . . 8 L N . 51401 1 60 . 1 . 1 9 9 ILE H H 1 7.399 0.008 . . . . . . . 9 I H . 51401 1 61 . 1 . 1 9 9 ILE HA H 1 3.707 0.000 . . . . . . . 9 I HA . 51401 1 62 . 1 . 1 9 9 ILE HB H 1 2.226 0.003 . . . . . . . 9 I HB . 51401 1 63 . 1 . 1 9 9 ILE HG12 H 1 1.613 0.005 . . . . . . . 9 I HG1 . 51401 1 64 . 1 . 1 9 9 ILE HG13 H 1 1.613 0.005 . . . . . . . 9 I HG1 . 51401 1 65 . 1 . 1 9 9 ILE HG21 H 1 0.958 0.003 . . . . . . . 9 I HG2 . 51401 1 66 . 1 . 1 9 9 ILE HG22 H 1 0.958 0.003 . . . . . . . 9 I HG2 . 51401 1 67 . 1 . 1 9 9 ILE HG23 H 1 0.958 0.003 . . . . . . . 9 I HG2 . 51401 1 68 . 1 . 1 9 9 ILE CA C 13 63.569 0.059 . . . . . . . 9 I CA . 51401 1 69 . 1 . 1 9 9 ILE CB C 13 36.274 0.118 . . . . . . . 9 I CB . 51401 1 70 . 1 . 1 9 9 ILE CG1 C 13 28.822 0.018 . . . . . . . 9 I CG1 . 51401 1 71 . 1 . 1 9 9 ILE CG2 C 13 18.048 0.038 . . . . . . . 9 I CG2 . 51401 1 72 . 1 . 1 9 9 ILE CD1 C 13 1.358 0.000 . . . . . . . 9 I CD1 . 51401 1 73 . 1 . 1 9 9 ILE N N 15 118.240 0.007 . . . . . . . 9 I N . 51401 1 74 . 1 . 1 10 10 LEU H H 1 8.434 0.004 . . . . . . . 10 L H . 51401 1 75 . 1 . 1 10 10 LEU HA H 1 4.114 0.001 . . . . . . . 10 L HA . 51401 1 76 . 1 . 1 10 10 LEU HB2 H 1 1.845 0.001 . . . . . . . 10 L HB . 51401 1 77 . 1 . 1 10 10 LEU HB3 H 1 1.845 0.001 . . . . . . . 10 L HB . 51401 1 78 . 1 . 1 10 10 LEU HG H 1 1.542 0.000 . . . . . . . 10 L HG . 51401 1 79 . 1 . 1 10 10 LEU HD11 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 80 . 1 . 1 10 10 LEU HD12 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 81 . 1 . 1 10 10 LEU HD13 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 82 . 1 . 1 10 10 LEU HD21 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 83 . 1 . 1 10 10 LEU HD22 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 84 . 1 . 1 10 10 LEU HD23 H 1 0.934 0.001 . . . . . . . 10 L HD . 51401 1 85 . 1 . 1 10 10 LEU CA C 13 58.646 0.001 . . . . . . . 10 L CA . 51401 1 86 . 1 . 1 10 10 LEU CB C 13 42.091 0.043 . . . . . . . 10 L CB . 51401 1 87 . 1 . 1 10 10 LEU CG C 13 26.821 0.011 . . . . . . . 10 L CG . 51401 1 88 . 1 . 1 10 10 LEU CD1 C 13 25.232 0.000 . . . . . . . 10 L CD1 . 51401 1 89 . 1 . 1 10 10 LEU CD2 C 13 23.989 0.043 . . . . . . . 10 L CD2 . 51401 1 90 . 1 . 1 10 10 LEU N N 15 122.028 0.027 . . . . . . . 10 L N . 51401 1 91 . 1 . 1 11 11 THR H H 1 7.925 0.004 . . . . . . . 11 T H . 51401 1 92 . 1 . 1 11 11 THR HA H 1 3.724 0.005 . . . . . . . 11 T HA . 51401 1 93 . 1 . 1 11 11 THR HB H 1 4.250 0.007 . . . . . . . 11 T HB . 51401 1 94 . 1 . 1 11 11 THR HG21 H 1 1.164 0.002 . . . . . . . 11 T HG2 . 51401 1 95 . 1 . 1 11 11 THR HG22 H 1 1.164 0.002 . . . . . . . 11 T HG2 . 51401 1 96 . 1 . 1 11 11 THR HG23 H 1 1.164 0.002 . . . . . . . 11 T HG2 . 51401 1 97 . 1 . 1 11 11 THR CA C 13 68.353 0.013 . . . . . . . 11 T CA . 51401 1 98 . 1 . 1 11 11 THR CB C 13 68.515 0.000 . . . . . . . 11 T CB . 51401 1 99 . 1 . 1 11 11 THR CG2 C 13 21.471 0.002 . . . . . . . 11 T CG2 . 51401 1 100 . 1 . 1 11 11 THR N N 15 114.761 0.015 . . . . . . . 11 T N . 51401 1 101 . 1 . 1 12 12 LEU H H 1 8.200 0.005 . . . . . . . 12 L H . 51401 1 102 . 1 . 1 12 12 LEU HA H 1 3.974 0.001 . . . . . . . 12 L HA . 51401 1 103 . 1 . 1 12 12 LEU HB2 H 1 1.871 0.000 . . . . . . . 12 L HB . 51401 1 104 . 1 . 1 12 12 LEU HB3 H 1 1.871 0.000 . . . . . . . 12 L HB . 51401 1 105 . 1 . 1 12 12 LEU HG H 1 1.573 0.006 . . . . . . . 12 L HG . 51401 1 106 . 1 . 1 12 12 LEU HD11 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 107 . 1 . 1 12 12 LEU HD12 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 108 . 1 . 1 12 12 LEU HD13 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 109 . 1 . 1 12 12 LEU HD21 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 110 . 1 . 1 12 12 LEU HD22 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 111 . 1 . 1 12 12 LEU HD23 H 1 0.858 0.000 . . . . . . . 12 L HD . 51401 1 112 . 1 . 1 12 12 LEU CA C 13 58.331 0.048 . . . . . . . 12 L CA . 51401 1 113 . 1 . 1 12 12 LEU CB C 13 41.844 0.029 . . . . . . . 12 L CB . 51401 1 114 . 1 . 1 12 12 LEU CG C 13 26.865 0.066 . . . . . . . 12 L CG . 51401 1 115 . 1 . 1 12 12 LEU CD2 C 13 23.745 0.000 . . . . . . . 12 L CD2 . 51401 1 116 . 1 . 1 12 12 LEU N N 15 119.503 0.022 . . . . . . . 12 L N . 51401 1 117 . 1 . 1 13 13 SER H H 1 8.307 0.004 . . . . . . . 13 S H . 51401 1 118 . 1 . 1 13 13 SER HA H 1 3.704 0.002 . . . . . . . 13 S HA . 51401 1 119 . 1 . 1 13 13 SER HB2 H 1 4.151 0.008 . . . . . . . 13 S HB . 51401 1 120 . 1 . 1 13 13 SER HB3 H 1 4.151 0.008 . . . . . . . 13 S HB . 51401 1 121 . 1 . 1 13 13 SER CA C 13 63.755 0.031 . . . . . . . 13 S CA . 51401 1 122 . 1 . 1 13 13 SER CB C 13 62.940 0.019 . . . . . . . 13 S CB . 51401 1 123 . 1 . 1 13 13 SER N N 15 114.663 0.020 . . . . . . . 13 S N . 51401 1 124 . 1 . 1 14 14 LEU H H 1 7.981 0.004 . . . . . . . 14 L H . 51401 1 125 . 1 . 1 14 14 LEU HA H 1 3.982 0.001 . . . . . . . 14 L HA . 51401 1 126 . 1 . 1 14 14 LEU HB2 H 1 1.794 0.000 . . . . . . . 14 L HB . 51401 1 127 . 1 . 1 14 14 LEU HB3 H 1 1.794 0.000 . . . . . . . 14 L HB . 51401 1 128 . 1 . 1 14 14 LEU HG H 1 1.799 0.001 . . . . . . . 14 L HG . 51401 1 129 . 1 . 1 14 14 LEU HD11 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 130 . 1 . 1 14 14 LEU HD12 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 131 . 1 . 1 14 14 LEU HD13 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 132 . 1 . 1 14 14 LEU HD21 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 133 . 1 . 1 14 14 LEU HD22 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 134 . 1 . 1 14 14 LEU HD23 H 1 0.877 0.006 . . . . . . . 14 L HD . 51401 1 135 . 1 . 1 14 14 LEU CA C 13 58.339 0.083 . . . . . . . 14 L CA . 51401 1 136 . 1 . 1 14 14 LEU CB C 13 41.578 0.024 . . . . . . . 14 L CB . 51401 1 137 . 1 . 1 14 14 LEU CG C 13 27.104 0.020 . . . . . . . 14 L CG . 51401 1 138 . 1 . 1 14 14 LEU CD1 C 13 24.420 0.002 . . . . . . . 14 L CD1 . 51401 1 139 . 1 . 1 14 14 LEU CD2 C 13 22.831 0.105 . . . . . . . 14 L CD2 . 51401 1 140 . 1 . 1 14 14 LEU N N 15 121.302 0.026 . . . . . . . 14 L N . 51401 1 141 . 1 . 1 15 15 ILE H H 1 8.070 0.004 . . . . . . . 15 I H . 51401 1 142 . 1 . 1 15 15 ILE HA H 1 3.590 0.000 . . . . . . . 15 I HA . 51401 1 143 . 1 . 1 15 15 ILE HB H 1 2.079 0.006 . . . . . . . 15 I HB . 51401 1 144 . 1 . 1 15 15 ILE HG12 H 1 1.894 0.005 . . . . . . . 15 I HG1 . 51401 1 145 . 1 . 1 15 15 ILE HG13 H 1 1.894 0.005 . . . . . . . 15 I HG1 . 51401 1 146 . 1 . 1 15 15 ILE HG21 H 1 0.839 0.004 . . . . . . . 15 I HG2 . 51401 1 147 . 1 . 1 15 15 ILE HG22 H 1 0.839 0.004 . . . . . . . 15 I HG2 . 51401 1 148 . 1 . 1 15 15 ILE HG23 H 1 0.839 0.004 . . . . . . . 15 I HG2 . 51401 1 149 . 1 . 1 15 15 ILE HD11 H 1 0.748 0.000 . . . . . . . 15 I HD . 51401 1 150 . 1 . 1 15 15 ILE HD12 H 1 0.748 0.000 . . . . . . . 15 I HD . 51401 1 151 . 1 . 1 15 15 ILE HD13 H 1 0.748 0.000 . . . . . . . 15 I HD . 51401 1 152 . 1 . 1 15 15 ILE CA C 13 65.708 0.011 . . . . . . . 15 I CA . 51401 1 153 . 1 . 1 15 15 ILE CB C 13 37.303 0.036 . . . . . . . 15 I CB . 51401 1 154 . 1 . 1 15 15 ILE CG1 C 13 29.479 0.093 . . . . . . . 15 I CG1 . 51401 1 155 . 1 . 1 15 15 ILE CG2 C 13 17.357 0.060 . . . . . . . 15 I CG2 . 51401 1 156 . 1 . 1 15 15 ILE CD1 C 13 13.086 0.000 . . . . . . . 15 I CD . 51401 1 157 . 1 . 1 15 15 ILE N N 15 118.256 0.024 . . . . . . . 15 I N . 51401 1 158 . 1 . 1 16 16 LEU H H 1 8.285 0.005 . . . . . . . 16 L H . 51401 1 159 . 1 . 1 16 16 LEU HA H 1 3.999 0.002 . . . . . . . 16 L HA . 51401 1 160 . 1 . 1 16 16 LEU HB2 H 1 1.891 0.000 . . . . . . . 16 L HB . 51401 1 161 . 1 . 1 16 16 LEU HB3 H 1 1.891 0.000 . . . . . . . 16 L HB . 51401 1 162 . 1 . 1 16 16 LEU HG H 1 1.599 0.006 . . . . . . . 16 L HG . 51401 1 163 . 1 . 1 16 16 LEU HD11 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 164 . 1 . 1 16 16 LEU HD12 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 165 . 1 . 1 16 16 LEU HD13 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 166 . 1 . 1 16 16 LEU HD21 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 167 . 1 . 1 16 16 LEU HD22 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 168 . 1 . 1 16 16 LEU HD23 H 1 0.822 0.002 . . . . . . . 16 L HD . 51401 1 169 . 1 . 1 16 16 LEU CA C 13 58.526 0.013 . . . . . . . 16 L CA . 51401 1 170 . 1 . 1 16 16 LEU CB C 13 41.419 0.049 . . . . . . . 16 L CB . 51401 1 171 . 1 . 1 16 16 LEU CG C 13 26.970 0.006 . . . . . . . 16 L CG . 51401 1 172 . 1 . 1 16 16 LEU CD1 C 13 24.752 0.000 . . . . . . . 16 L CD1 . 51401 1 173 . 1 . 1 16 16 LEU CD2 C 13 23.622 0.000 . . . . . . . 16 L CD2 . 51401 1 174 . 1 . 1 16 16 LEU N N 15 119.269 0.018 . . . . . . . 16 L N . 51401 1 175 . 1 . 1 17 17 VAL H H 1 8.377 0.005 . . . . . . . 17 V H . 51401 1 176 . 1 . 1 17 17 VAL HA H 1 3.499 0.001 . . . . . . . 17 V HA . 51401 1 177 . 1 . 1 17 17 VAL HB H 1 2.280 0.003 . . . . . . . 17 V HB . 51401 1 178 . 1 . 1 17 17 VAL HG11 H 1 1.025 0.004 . . . . . . . 17 V HG1 . 51401 1 179 . 1 . 1 17 17 VAL HG12 H 1 1.025 0.004 . . . . . . . 17 V HG1 . 51401 1 180 . 1 . 1 17 17 VAL HG13 H 1 1.025 0.004 . . . . . . . 17 V HG1 . 51401 1 181 . 1 . 1 17 17 VAL HG21 H 1 0.838 0.004 . . . . . . . 17 V HG2 . 51401 1 182 . 1 . 1 17 17 VAL HG22 H 1 0.838 0.004 . . . . . . . 17 V HG2 . 51401 1 183 . 1 . 1 17 17 VAL HG23 H 1 0.838 0.004 . . . . . . . 17 V HG2 . 51401 1 184 . 1 . 1 17 17 VAL CA C 13 67.476 0.040 . . . . . . . 17 V CA . 51401 1 185 . 1 . 1 17 17 VAL CB C 13 31.319 0.020 . . . . . . . 17 V CB . 51401 1 186 . 1 . 1 17 17 VAL CG1 C 13 23.291 0.058 . . . . . . . 17 V CG1 . 51401 1 187 . 1 . 1 17 17 VAL CG2 C 13 21.090 0.044 . . . . . . . 17 V CG2 . 51401 1 188 . 1 . 1 17 17 VAL N N 15 121.109 0.020 . . . . . . . 17 V N . 51401 1 189 . 1 . 1 18 18 LEU H H 1 8.412 0.004 . . . . . . . 18 L H . 51401 1 190 . 1 . 1 18 18 LEU HA H 1 3.974 0.000 . . . . . . . 18 L HA . 51401 1 191 . 1 . 1 18 18 LEU HB2 H 1 1.852 0.001 . . . . . . . 18 L HB . 51401 1 192 . 1 . 1 18 18 LEU HB3 H 1 1.852 0.001 . . . . . . . 18 L HB . 51401 1 193 . 1 . 1 18 18 LEU HG H 1 1.595 0.000 . . . . . . . 18 L HG . 51401 1 194 . 1 . 1 18 18 LEU HD11 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 195 . 1 . 1 18 18 LEU HD12 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 196 . 1 . 1 18 18 LEU HD13 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 197 . 1 . 1 18 18 LEU HD21 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 198 . 1 . 1 18 18 LEU HD22 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 199 . 1 . 1 18 18 LEU HD23 H 1 0.813 0.000 . . . . . . . 18 L HD . 51401 1 200 . 1 . 1 18 18 LEU CA C 13 58.860 0.002 . . . . . . . 18 L CA . 51401 1 201 . 1 . 1 18 18 LEU CB C 13 41.649 0.029 . . . . . . . 18 L CB . 51401 1 202 . 1 . 1 18 18 LEU CG C 13 26.771 0.000 . . . . . . . 18 L CG . 51401 1 203 . 1 . 1 18 18 LEU CD1 C 13 24.508 0.000 . . . . . . . 18 L CD1 . 51401 1 204 . 1 . 1 18 18 LEU CD2 C 13 23.387 0.000 . . . . . . . 18 L CD2 . 51401 1 205 . 1 . 1 18 18 LEU N N 15 119.976 0.020 . . . . . . . 18 L N . 51401 1 206 . 1 . 1 19 19 ILE H H 1 8.697 0.004 . . . . . . . 19 I H . 51401 1 207 . 1 . 1 19 19 ILE HA H 1 3.617 0.003 . . . . . . . 19 I HA . 51401 1 208 . 1 . 1 19 19 ILE HB H 1 1.929 0.006 . . . . . . . 19 I HB . 51401 1 209 . 1 . 1 19 19 ILE HG12 H 1 1.792 0.016 . . . . . . . 19 I HG1 . 51401 1 210 . 1 . 1 19 19 ILE HG13 H 1 1.792 0.016 . . . . . . . 19 I HG1 . 51401 1 211 . 1 . 1 19 19 ILE HG21 H 1 0.839 0.003 . . . . . . . 19 I HG2 . 51401 1 212 . 1 . 1 19 19 ILE HG22 H 1 0.839 0.003 . . . . . . . 19 I HG2 . 51401 1 213 . 1 . 1 19 19 ILE HG23 H 1 0.839 0.003 . . . . . . . 19 I HG2 . 51401 1 214 . 1 . 1 19 19 ILE HD11 H 1 1.093 0.000 . . . . . . . 19 I HD1 . 51401 1 215 . 1 . 1 19 19 ILE HD12 H 1 1.093 0.000 . . . . . . . 19 I HD1 . 51401 1 216 . 1 . 1 19 19 ILE HD13 H 1 1.093 0.000 . . . . . . . 19 I HD1 . 51401 1 217 . 1 . 1 19 19 ILE CA C 13 65.463 0.044 . . . . . . . 19 I CA . 51401 1 218 . 1 . 1 19 19 ILE CB C 13 37.590 0.049 . . . . . . . 19 I CB . 51401 1 219 . 1 . 1 19 19 ILE CG1 C 13 29.308 0.069 . . . . . . . 19 I CG1 . 51401 1 220 . 1 . 1 19 19 ILE CG2 C 13 17.325 0.022 . . . . . . . 19 I CG2 . 51401 1 221 . 1 . 1 19 19 ILE N N 15 117.280 0.010 . . . . . . . 19 I N . 51401 1 222 . 1 . 1 20 20 SER H H 1 8.190 0.004 . . . . . . . 20 S H . 51401 1 223 . 1 . 1 20 20 SER HA H 1 4.041 0.001 . . . . . . . 20 S HA . 51401 1 224 . 1 . 1 20 20 SER HB2 H 1 3.640 0.003 . . . . . . . 20 S HB . 51401 1 225 . 1 . 1 20 20 SER HB3 H 1 3.640 0.003 . . . . . . . 20 S HB . 51401 1 226 . 1 . 1 20 20 SER CA C 13 63.903 0.040 . . . . . . . 20 S CA . 51401 1 227 . 1 . 1 20 20 SER CB C 13 62.699 0.036 . . . . . . . 20 S CB . 51401 1 228 . 1 . 1 20 20 SER N N 15 116.746 0.032 . . . . . . . 20 S N . 51401 1 229 . 1 . 1 21 21 LEU H H 1 8.489 0.004 . . . . . . . 21 L H . 51401 1 230 . 1 . 1 21 21 LEU HA H 1 4.019 0.000 . . . . . . . 21 L HA . 51401 1 231 . 1 . 1 21 21 LEU HB2 H 1 1.851 0.000 . . . . . . . 21 L HB . 51401 1 232 . 1 . 1 21 21 LEU HB3 H 1 1.851 0.000 . . . . . . . 21 L HB . 51401 1 233 . 1 . 1 21 21 LEU HG H 1 1.587 0.003 . . . . . . . 21 L HG . 51401 1 234 . 1 . 1 21 21 LEU HD11 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 235 . 1 . 1 21 21 LEU HD12 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 236 . 1 . 1 21 21 LEU HD13 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 237 . 1 . 1 21 21 LEU HD21 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 238 . 1 . 1 21 21 LEU HD22 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 239 . 1 . 1 21 21 LEU HD23 H 1 0.800 0.000 . . . . . . . 21 L HD . 51401 1 240 . 1 . 1 21 21 LEU CA C 13 58.337 0.011 . . . . . . . 21 L CA . 51401 1 241 . 1 . 1 21 21 LEU CB C 13 41.914 0.068 . . . . . . . 21 L CB . 51401 1 242 . 1 . 1 21 21 LEU CG C 13 26.664 0.069 . . . . . . . 21 L CG . 51401 1 243 . 1 . 1 21 21 LEU CD1 C 13 24.858 0.006 . . . . . . . 21 L CD1 . 51401 1 244 . 1 . 1 21 21 LEU CD2 C 13 23.532 0.032 . . . . . . . 21 L CD2 . 51401 1 245 . 1 . 1 21 21 LEU N N 15 124.301 0.024 . . . . . . . 21 L N . 51401 1 246 . 1 . 1 22 22 LEU H H 1 8.334 0.005 . . . . . . . 22 L H . 51401 1 247 . 1 . 1 22 22 LEU HA H 1 3.942 0.000 . . . . . . . 22 L HA . 51401 1 248 . 1 . 1 22 22 LEU HB2 H 1 1.830 0.000 . . . . . . . 22 L HB . 51401 1 249 . 1 . 1 22 22 LEU HB3 H 1 1.830 0.000 . . . . . . . 22 L HB . 51401 1 250 . 1 . 1 22 22 LEU HG H 1 1.660 0.004 . . . . . . . 22 L HG . 51401 1 251 . 1 . 1 22 22 LEU HD11 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 252 . 1 . 1 22 22 LEU HD12 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 253 . 1 . 1 22 22 LEU HD13 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 254 . 1 . 1 22 22 LEU HD21 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 255 . 1 . 1 22 22 LEU HD22 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 256 . 1 . 1 22 22 LEU HD23 H 1 0.815 0.013 . . . . . . . 22 L HD . 51401 1 257 . 1 . 1 22 22 LEU CA C 13 58.682 0.009 . . . . . . . 22 L CA . 51401 1 258 . 1 . 1 22 22 LEU CB C 13 41.697 0.068 . . . . . . . 22 L CB . 51401 1 259 . 1 . 1 22 22 LEU CG C 13 26.892 0.017 . . . . . . . 22 L CG . 51401 1 260 . 1 . 1 22 22 LEU CD1 C 13 24.156 0.000 . . . . . . . 22 L CD1 . 51401 1 261 . 1 . 1 22 22 LEU CD2 C 13 24.168 0.000 . . . . . . . 22 L CD2 . 51401 1 262 . 1 . 1 22 22 LEU N N 15 119.519 0.023 . . . . . . . 22 L N . 51401 1 263 . 1 . 1 23 23 LEU H H 1 8.608 0.004 . . . . . . . 23 L H . 51401 1 264 . 1 . 1 23 23 LEU HA H 1 3.982 0.003 . . . . . . . 23 L HA . 51401 1 265 . 1 . 1 23 23 LEU HB2 H 1 1.949 0.001 . . . . . . . 23 L HB . 51401 1 266 . 1 . 1 23 23 LEU HB3 H 1 1.949 0.001 . . . . . . . 23 L HB . 51401 1 267 . 1 . 1 23 23 LEU HG H 1 1.445 0.000 . . . . . . . 23 L HG . 51401 1 268 . 1 . 1 23 23 LEU HD11 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 269 . 1 . 1 23 23 LEU HD12 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 270 . 1 . 1 23 23 LEU HD13 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 271 . 1 . 1 23 23 LEU HD21 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 272 . 1 . 1 23 23 LEU HD22 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 273 . 1 . 1 23 23 LEU HD23 H 1 0.845 0.002 . . . . . . . 23 L HD . 51401 1 274 . 1 . 1 23 23 LEU CA C 13 58.347 0.026 . . . . . . . 23 L CA . 51401 1 275 . 1 . 1 23 23 LEU CB C 13 41.747 0.037 . . . . . . . 23 L CB . 51401 1 276 . 1 . 1 23 23 LEU CG C 13 26.881 0.000 . . . . . . . 23 L CG . 51401 1 277 . 1 . 1 23 23 LEU CD1 C 13 25.616 0.003 . . . . . . . 23 L CD1 . 51401 1 278 . 1 . 1 23 23 LEU CD2 C 13 22.924 0.000 . . . . . . . 23 L CD2 . 51401 1 279 . 1 . 1 23 23 LEU N N 15 117.086 0.022 . . . . . . . 23 L N . 51401 1 280 . 1 . 1 24 24 THR H H 1 7.901 0.005 . . . . . . . 24 T H . 51401 1 281 . 1 . 1 24 24 THR HA H 1 3.759 0.002 . . . . . . . 24 T HA . 51401 1 282 . 1 . 1 24 24 THR HB H 1 4.369 0.001 . . . . . . . 24 T HB . 51401 1 283 . 1 . 1 24 24 THR HG21 H 1 1.131 0.003 . . . . . . . 24 T HG2 . 51401 1 284 . 1 . 1 24 24 THR HG22 H 1 1.131 0.003 . . . . . . . 24 T HG2 . 51401 1 285 . 1 . 1 24 24 THR HG23 H 1 1.131 0.003 . . . . . . . 24 T HG2 . 51401 1 286 . 1 . 1 24 24 THR CA C 13 68.497 0.007 . . . . . . . 24 T CA . 51401 1 287 . 1 . 1 24 24 THR CB C 13 67.783 0.057 . . . . . . . 24 T CB . 51401 1 288 . 1 . 1 24 24 THR CG2 C 13 21.394 0.018 . . . . . . . 24 T CG2 . 51401 1 289 . 1 . 1 24 24 THR N N 15 116.153 0.024 . . . . . . . 24 T N . 51401 1 290 . 1 . 1 25 25 VAL H H 1 8.279 0.004 . . . . . . . 25 V H . 51401 1 291 . 1 . 1 25 25 VAL HA H 1 3.546 0.005 . . . . . . . 25 V HA . 51401 1 292 . 1 . 1 25 25 VAL HB H 1 2.297 0.001 . . . . . . . 25 V HB . 51401 1 293 . 1 . 1 25 25 VAL HG11 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 294 . 1 . 1 25 25 VAL HG12 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 295 . 1 . 1 25 25 VAL HG13 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 296 . 1 . 1 25 25 VAL HG21 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 297 . 1 . 1 25 25 VAL HG22 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 298 . 1 . 1 25 25 VAL HG23 H 1 0.952 0.009 . . . . . . . 25 V HG . 51401 1 299 . 1 . 1 25 25 VAL CA C 13 67.553 0.027 . . . . . . . 25 V CA . 51401 1 300 . 1 . 1 25 25 VAL CB C 13 31.322 0.027 . . . . . . . 25 V CB . 51401 1 301 . 1 . 1 25 25 VAL CG1 C 13 23.201 0.000 . . . . . . . 25 V CG1 . 51401 1 302 . 1 . 1 25 25 VAL CG2 C 13 21.916 0.000 . . . . . . . 25 V CG2 . 51401 1 303 . 1 . 1 25 25 VAL N N 15 120.471 0.019 . . . . . . . 25 V N . 51401 1 304 . 1 . 1 26 26 LEU H H 1 8.359 0.004 . . . . . . . 26 L H . 51401 1 305 . 1 . 1 26 26 LEU HA H 1 3.999 0.000 . . . . . . . 26 L HA . 51401 1 306 . 1 . 1 26 26 LEU HB2 H 1 1.931 0.002 . . . . . . . 26 L HB . 51401 1 307 . 1 . 1 26 26 LEU HB3 H 1 1.931 0.002 . . . . . . . 26 L HB . 51401 1 308 . 1 . 1 26 26 LEU HG H 1 1.571 0.003 . . . . . . . 26 L HG . 51401 1 309 . 1 . 1 26 26 LEU HD11 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 310 . 1 . 1 26 26 LEU HD12 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 311 . 1 . 1 26 26 LEU HD13 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 312 . 1 . 1 26 26 LEU HD21 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 313 . 1 . 1 26 26 LEU HD22 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 314 . 1 . 1 26 26 LEU HD23 H 1 0.879 0.002 . . . . . . . 26 L HD . 51401 1 315 . 1 . 1 26 26 LEU CA C 13 58.491 0.024 . . . . . . . 26 L CA . 51401 1 316 . 1 . 1 26 26 LEU CB C 13 41.567 0.027 . . . . . . . 26 L CB . 51401 1 317 . 1 . 1 26 26 LEU CG C 13 26.822 0.017 . . . . . . . 26 L CG . 51401 1 318 . 1 . 1 26 26 LEU CD1 C 13 25.210 0.001 . . . . . . . 26 L CD1 . 51401 1 319 . 1 . 1 26 26 LEU CD2 C 13 23.623 0.024 . . . . . . . 26 L CD2 . 51401 1 320 . 1 . 1 26 26 LEU N N 15 118.724 0.017 . . . . . . . 26 L N . 51401 1 321 . 1 . 1 27 27 ALA H H 1 8.535 0.004 . . . . . . . 27 A H . 51401 1 322 . 1 . 1 27 27 ALA HA H 1 4.008 0.001 . . . . . . . 27 A HA . 51401 1 323 . 1 . 1 27 27 ALA HB1 H 1 1.558 0.000 . . . . . . . 27 A HB . 51401 1 324 . 1 . 1 27 27 ALA HB2 H 1 1.558 0.000 . . . . . . . 27 A HB . 51401 1 325 . 1 . 1 27 27 ALA HB3 H 1 1.558 0.000 . . . . . . . 27 A HB . 51401 1 326 . 1 . 1 27 27 ALA CA C 13 55.508 0.019 . . . . . . . 27 A CA . 51401 1 327 . 1 . 1 27 27 ALA CB C 13 18.338 0.028 . . . . . . . 27 A CB . 51401 1 328 . 1 . 1 27 27 ALA N N 15 121.945 0.026 . . . . . . . 27 A N . 51401 1 329 . 1 . 1 28 28 LEU H H 1 8.347 0.004 . . . . . . . 28 L H . 51401 1 330 . 1 . 1 28 28 LEU HA H 1 4.090 0.001 . . . . . . . 28 L HA . 51401 1 331 . 1 . 1 28 28 LEU HB2 H 1 1.992 0.000 . . . . . . . 28 L HB . 51401 1 332 . 1 . 1 28 28 LEU HB3 H 1 1.992 0.000 . . . . . . . 28 L HB . 51401 1 333 . 1 . 1 28 28 LEU HG H 1 1.567 0.001 . . . . . . . 28 L HG . 51401 1 334 . 1 . 1 28 28 LEU HD11 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 335 . 1 . 1 28 28 LEU HD12 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 336 . 1 . 1 28 28 LEU HD13 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 337 . 1 . 1 28 28 LEU HD21 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 338 . 1 . 1 28 28 LEU HD22 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 339 . 1 . 1 28 28 LEU HD23 H 1 0.899 0.009 . . . . . . . 28 L HD . 51401 1 340 . 1 . 1 28 28 LEU CA C 13 57.985 0.047 . . . . . . . 28 L CA . 51401 1 341 . 1 . 1 28 28 LEU CB C 13 42.168 0.062 . . . . . . . 28 L CB . 51401 1 342 . 1 . 1 28 28 LEU CG C 13 27.045 0.006 . . . . . . . 28 L CG . 51401 1 343 . 1 . 1 28 28 LEU CD1 C 13 23.580 0.033 . . . . . . . 28 L CD1 . 51401 1 344 . 1 . 1 28 28 LEU CD2 C 13 25.851 0.002 . . . . . . . 28 L CD2 . 51401 1 345 . 1 . 1 28 28 LEU N N 15 118.454 0.025 . . . . . . . 28 L N . 51401 1 346 . 1 . 1 29 29 LEU H H 1 8.462 0.004 . . . . . . . 29 L H . 51401 1 347 . 1 . 1 29 29 LEU HA H 1 4.152 0.000 . . . . . . . 29 L HA . 51401 1 348 . 1 . 1 29 29 LEU HB2 H 1 1.928 0.000 . . . . . . . 29 L HB . 51401 1 349 . 1 . 1 29 29 LEU HB3 H 1 1.928 0.000 . . . . . . . 29 L HB . 51401 1 350 . 1 . 1 29 29 LEU HG H 1 1.586 0.000 . . . . . . . 29 L HG . 51401 1 351 . 1 . 1 29 29 LEU CA C 13 57.102 0.033 . . . . . . . 29 L CA . 51401 1 352 . 1 . 1 29 29 LEU CB C 13 42.218 0.039 . . . . . . . 29 L CB . 51401 1 353 . 1 . 1 29 29 LEU CG C 13 26.770 0.000 . . . . . . . 29 L CG . 51401 1 354 . 1 . 1 29 29 LEU CD1 C 13 25.994 0.000 . . . . . . . 29 L CD1 . 51401 1 355 . 1 . 1 29 29 LEU CD2 C 13 23.108 0.000 . . . . . . . 29 L CD2 . 51401 1 356 . 1 . 1 29 29 LEU N N 15 117.901 0.027 . . . . . . . 29 L N . 51401 1 357 . 1 . 1 30 30 SER H H 1 7.916 0.005 . . . . . . . 30 S H . 51401 1 358 . 1 . 1 30 30 SER HA H 1 4.286 0.002 . . . . . . . 30 S HA . 51401 1 359 . 1 . 1 30 30 SER HB2 H 1 3.947 0.011 . . . . . . . 30 S HB . 51401 1 360 . 1 . 1 30 30 SER HB3 H 1 3.947 0.011 . . . . . . . 30 S HB . 51401 1 361 . 1 . 1 30 30 SER CA C 13 60.533 0.017 . . . . . . . 30 S CA . 51401 1 362 . 1 . 1 30 30 SER CB C 13 63.828 0.015 . . . . . . . 30 S CB . 51401 1 363 . 1 . 1 30 30 SER N N 15 112.874 0.019 . . . . . . . 30 S N . 51401 1 364 . 1 . 1 31 31 HIS H H 1 7.869 0.004 . . . . . . . 31 H H . 51401 1 365 . 1 . 1 31 31 HIS HA H 1 4.717 0.003 . . . . . . . 31 H HA . 51401 1 366 . 1 . 1 31 31 HIS HB2 H 1 3.466 0.000 . . . . . . . 31 H HB1 . 51401 1 367 . 1 . 1 31 31 HIS HB3 H 1 3.230 0.000 . . . . . . . 31 H HB2 . 51401 1 368 . 1 . 1 31 31 HIS CA C 13 55.992 0.039 . . . . . . . 31 H CA . 51401 1 369 . 1 . 1 31 31 HIS CB C 13 28.856 0.048 . . . . . . . 31 H CB . 51401 1 370 . 1 . 1 31 31 HIS N N 15 118.150 0.008 . . . . . . . 31 H N . 51401 1 371 . 1 . 1 32 32 ARG H H 1 7.890 0.004 . . . . . . . 32 R H . 51401 1 372 . 1 . 1 32 32 ARG HA H 1 4.364 0.000 . . . . . . . 32 R HA . 51401 1 373 . 1 . 1 32 32 ARG HB2 H 1 1.977 0.005 . . . . . . . 32 R HB . 51401 1 374 . 1 . 1 32 32 ARG HB3 H 1 1.977 0.005 . . . . . . . 32 R HB . 51401 1 375 . 1 . 1 32 32 ARG HG2 H 1 1.760 0.005 . . . . . . . 32 R HG . 51401 1 376 . 1 . 1 32 32 ARG HG3 H 1 1.760 0.005 . . . . . . . 32 R HG . 51401 1 377 . 1 . 1 32 32 ARG HD2 H 1 3.213 0.003 . . . . . . . 32 R HD . 51401 1 378 . 1 . 1 32 32 ARG HD3 H 1 3.213 0.003 . . . . . . . 32 R HD . 51401 1 379 . 1 . 1 32 32 ARG CA C 13 56.481 0.011 . . . . . . . 32 R CA . 51401 1 380 . 1 . 1 32 32 ARG CB C 13 30.822 0.047 . . . . . . . 32 R CB . 51401 1 381 . 1 . 1 32 32 ARG CG C 13 27.233 0.010 . . . . . . . 32 R CG . 51401 1 382 . 1 . 1 32 32 ARG CD C 13 43.643 0.095 . . . . . . . 32 R CD . 51401 1 383 . 1 . 1 32 32 ARG N N 15 120.609 0.011 . . . . . . . 32 R N . 51401 1 384 . 1 . 1 33 33 ARG H H 1 7.758 0.004 . . . . . . . 33 R H . 51401 1 385 . 1 . 1 33 33 ARG HB2 H 1 1.877 0.000 . . . . . . . 33 R HB . 51401 1 386 . 1 . 1 33 33 ARG HB3 H 1 1.877 0.000 . . . . . . . 33 R HB . 51401 1 387 . 1 . 1 33 33 ARG CA C 13 57.460 0.000 . . . . . . . 33 R CA . 51401 1 388 . 1 . 1 33 33 ARG CB C 13 31.767 0.002 . . . . . . . 33 R CB . 51401 1 389 . 1 . 1 33 33 ARG N N 15 126.075 0.011 . . . . . . . 33 R N . 51401 1 stop_ save_