################################### # 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 52234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Sis1 1-121 WT Backbone Assignments' _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 '3D HNCACB' . . . 52234 1 2 '3D CBCA(CO)NH' . . . 52234 1 4 '3D HNCA' . . . 52234 1 5 '3D HN(CO)CA' . . . 52234 1 6 '2D 1H-15N HSQC' . . . 52234 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 . . 52234 1 2 $software_2 . . 52234 1 3 $software_3 . . 52234 1 4 $software_4 . . 52234 1 5 $software_5 . . 52234 1 6 $software_6 . . 52234 1 7 $software_7 . . 52234 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 MET CA C 13 55.627 0.00 . . . . . . . 1 MET CA . 52234 1 2 . 1 . 1 2 2 MET CB C 13 33.224 0.04 . . . . . . . 1 MET CB . 52234 1 3 . 1 . 1 3 3 VAL H H 1 7.876 0.01 . . . . . . . 2 VAL H . 52234 1 4 . 1 . 1 3 3 VAL CA C 13 60.717 0.01 . . . . . . . 2 VAL CA . 52234 1 5 . 1 . 1 3 3 VAL CB C 13 32.979 0.06 . . . . . . . 2 VAL CB . 52234 1 6 . 1 . 1 3 3 VAL N N 15 117.540 0.03 . . . . . . . 2 VAL N . 52234 1 7 . 1 . 1 4 4 LYS H H 1 8.366 0.00 . . . . . . . 3 LYS H . 52234 1 8 . 1 . 1 4 4 LYS CA C 13 58.512 0.01 . . . . . . . 3 LYS CA . 52234 1 9 . 1 . 1 4 4 LYS CB C 13 33.092 0.02 . . . . . . . 3 LYS CB . 52234 1 10 . 1 . 1 4 4 LYS N N 15 126.168 0.02 . . . . . . . 3 LYS N . 52234 1 11 . 1 . 1 5 5 GLU H H 1 9.257 0.01 . . . . . . . 4 GLU H . 52234 1 12 . 1 . 1 5 5 GLU CA C 13 54.685 0.02 . . . . . . . 4 GLU CA . 52234 1 13 . 1 . 1 5 5 GLU CB C 13 32.459 0.00 . . . . . . . 4 GLU CB . 52234 1 14 . 1 . 1 5 5 GLU N N 15 118.015 0.02 . . . . . . . 4 GLU N . 52234 1 15 . 1 . 1 6 6 THR H H 1 8.479 0.01 . . . . . . . 5 THR H . 52234 1 16 . 1 . 1 6 6 THR CA C 13 62.433 0.02 . . . . . . . 5 THR CA . 52234 1 17 . 1 . 1 6 6 THR CB C 13 69.267 0.02 . . . . . . . 5 THR CB . 52234 1 18 . 1 . 1 6 6 THR N N 15 108.809 0.03 . . . . . . . 5 THR N . 52234 1 19 . 1 . 1 7 7 LYS H H 1 7.686 0.00 . . . . . . . 6 LYS H . 52234 1 20 . 1 . 1 7 7 LYS CA C 13 60.523 0.00 . . . . . . . 6 LYS CA . 52234 1 21 . 1 . 1 7 7 LYS CB C 13 33.134 0.01 . . . . . . . 6 LYS CB . 52234 1 22 . 1 . 1 7 7 LYS N N 15 123.349 0.01 . . . . . . . 6 LYS N . 52234 1 23 . 1 . 1 8 8 LEU H H 1 8.298 0.00 . . . . . . . 7 LEU H . 52234 1 24 . 1 . 1 8 8 LEU CA C 13 58.285 0.01 . . . . . . . 7 LEU CA . 52234 1 25 . 1 . 1 8 8 LEU CB C 13 40.393 0.00 . . . . . . . 7 LEU CB . 52234 1 26 . 1 . 1 8 8 LEU N N 15 113.553 0.01 . . . . . . . 7 LEU N . 52234 1 27 . 1 . 1 9 9 TYR H H 1 6.716 0.00 . . . . . . . 8 TYR H . 52234 1 28 . 1 . 1 9 9 TYR CA C 13 61.195 0.01 . . . . . . . 8 TYR CA . 52234 1 29 . 1 . 1 9 9 TYR CB C 13 36.744 0.01 . . . . . . . 8 TYR CB . 52234 1 30 . 1 . 1 9 9 TYR N N 15 114.738 0.01 . . . . . . . 8 TYR N . 52234 1 31 . 1 . 1 10 10 ASP H H 1 8.563 0.00 . . . . . . . 9 ASP H . 52234 1 32 . 1 . 1 10 10 ASP CA C 13 57.264 0.01 . . . . . . . 9 ASP CA . 52234 1 33 . 1 . 1 10 10 ASP CB C 13 39.967 0.01 . . . . . . . 9 ASP CB . 52234 1 34 . 1 . 1 10 10 ASP N N 15 120.037 0.02 . . . . . . . 9 ASP N . 52234 1 35 . 1 . 1 11 11 LEU H H 1 8.374 0.00 . . . . . . . 10 LEU H . 52234 1 36 . 1 . 1 11 11 LEU CA C 13 57.620 0.03 . . . . . . . 10 LEU CA . 52234 1 37 . 1 . 1 11 11 LEU CB C 13 42.791 0.00 . . . . . . . 10 LEU CB . 52234 1 38 . 1 . 1 11 11 LEU N N 15 121.128 0.01 . . . . . . . 10 LEU N . 52234 1 39 . 1 . 1 12 12 LEU H H 1 6.913 0.00 . . . . . . . 11 LEU H . 52234 1 40 . 1 . 1 12 12 LEU CA C 13 53.860 0.01 . . . . . . . 11 LEU CA . 52234 1 41 . 1 . 1 12 12 LEU CB C 13 42.972 0.03 . . . . . . . 11 LEU CB . 52234 1 42 . 1 . 1 12 12 LEU N N 15 113.943 0.01 . . . . . . . 11 LEU N . 52234 1 43 . 1 . 1 13 13 GLY H H 1 7.971 0.00 . . . . . . . 12 GLY H . 52234 1 44 . 1 . 1 13 13 GLY CA C 13 46.756 0.02 . . . . . . . 12 GLY CA . 52234 1 45 . 1 . 1 13 13 GLY N N 15 108.917 0.01 . . . . . . . 12 GLY N . 52234 1 46 . 1 . 1 14 14 VAL H H 1 7.818 0.00 . . . . . . . 13 VAL H . 52234 1 47 . 1 . 1 14 14 VAL CA C 13 58.206 0.01 . . . . . . . 13 VAL CA . 52234 1 48 . 1 . 1 14 14 VAL CB C 13 35.142 0.03 . . . . . . . 13 VAL CB . 52234 1 49 . 1 . 1 14 14 VAL N N 15 110.455 0.01 . . . . . . . 13 VAL N . 52234 1 50 . 1 . 1 15 15 SER H H 1 8.395 0.01 . . . . . . . 14 SER H . 52234 1 51 . 1 . 1 15 15 SER CA C 13 56.027 0.00 . . . . . . . 14 SER CA . 52234 1 52 . 1 . 1 15 15 SER CB C 13 63.632 0.00 . . . . . . . 14 SER CB . 52234 1 53 . 1 . 1 15 15 SER N N 15 116.680 0.01 . . . . . . . 14 SER N . 52234 1 54 . 1 . 1 16 16 PRO CA C 13 63.300 0.04 . . . . . . . 15 PRO CA . 52234 1 55 . 1 . 1 16 16 PRO CB C 13 32.184 0.01 . . . . . . . 15 PRO CB . 52234 1 56 . 1 . 1 17 17 SER H H 1 7.254 0.00 . . . . . . . 16 SER H . 52234 1 57 . 1 . 1 17 17 SER CA C 13 56.869 0.03 . . . . . . . 16 SER CA . 52234 1 58 . 1 . 1 17 17 SER CB C 13 63.133 0.02 . . . . . . . 16 SER CB . 52234 1 59 . 1 . 1 17 17 SER N N 15 108.502 0.00 . . . . . . . 16 SER N . 52234 1 60 . 1 . 1 18 18 ALA H H 1 7.730 0.00 . . . . . . . 17 ALA H . 52234 1 61 . 1 . 1 18 18 ALA CA C 13 53.117 0.01 . . . . . . . 17 ALA CA . 52234 1 62 . 1 . 1 18 18 ALA CB C 13 19.748 0.01 . . . . . . . 17 ALA CB . 52234 1 63 . 1 . 1 18 18 ALA N N 15 124.794 0.02 . . . . . . . 17 ALA N . 52234 1 64 . 1 . 1 19 19 ASN H H 1 8.588 0.01 . . . . . . . 18 ASN H . 52234 1 65 . 1 . 1 19 19 ASN CA C 13 50.661 0.01 . . . . . . . 18 ASN CA . 52234 1 66 . 1 . 1 19 19 ASN CB C 13 38.913 0.01 . . . . . . . 18 ASN CB . 52234 1 67 . 1 . 1 19 19 ASN N N 15 120.386 0.01 . . . . . . . 18 ASN N . 52234 1 68 . 1 . 1 20 20 GLU H H 1 8.668 0.00 . . . . . . . 19 GLU H . 52234 1 69 . 1 . 1 20 20 GLU CA C 13 60.430 0.01 . . . . . . . 19 GLU CA . 52234 1 70 . 1 . 1 20 20 GLU CB C 13 29.715 0.00 . . . . . . . 19 GLU CB . 52234 1 71 . 1 . 1 20 20 GLU N N 15 117.662 0.00 . . . . . . . 19 GLU N . 52234 1 72 . 1 . 1 21 21 GLN H H 1 8.110 0.00 . . . . . . . 20 GLN H . 52234 1 73 . 1 . 1 21 21 GLN CA C 13 59.360 0.02 . . . . . . . 20 GLN CA . 52234 1 74 . 1 . 1 21 21 GLN CB C 13 28.170 0.01 . . . . . . . 20 GLN CB . 52234 1 75 . 1 . 1 21 21 GLN N N 15 118.320 0.01 . . . . . . . 20 GLN N . 52234 1 76 . 1 . 1 22 22 GLU H H 1 8.445 0.01 . . . . . . . 21 GLU H . 52234 1 77 . 1 . 1 22 22 GLU CA C 13 59.227 0.05 . . . . . . . 21 GLU CA . 52234 1 78 . 1 . 1 22 22 GLU CB C 13 29.928 0.02 . . . . . . . 21 GLU CB . 52234 1 79 . 1 . 1 22 22 GLU N N 15 121.175 0.01 . . . . . . . 21 GLU N . 52234 1 80 . 1 . 1 23 23 LEU H H 1 8.689 0.00 . . . . . . . 22 LEU H . 52234 1 81 . 1 . 1 23 23 LEU CA C 13 58.729 0.05 . . . . . . . 22 LEU CA . 52234 1 82 . 1 . 1 23 23 LEU CB C 13 42.712 0.00 . . . . . . . 22 LEU CB . 52234 1 83 . 1 . 1 23 23 LEU N N 15 120.398 0.01 . . . . . . . 22 LEU N . 52234 1 84 . 1 . 1 24 24 LYS H H 1 8.107 0.00 . . . . . . . 23 LYS H . 52234 1 85 . 1 . 1 24 24 LYS CA C 13 60.741 0.01 . . . . . . . 23 LYS CA . 52234 1 86 . 1 . 1 24 24 LYS CB C 13 32.775 0.01 . . . . . . . 23 LYS CB . 52234 1 87 . 1 . 1 24 24 LYS N N 15 117.665 0.01 . . . . . . . 23 LYS N . 52234 1 88 . 1 . 1 25 25 LYS H H 1 8.082 0.00 . . . . . . . 24 LYS H . 52234 1 89 . 1 . 1 25 25 LYS CA C 13 59.980 0.02 . . . . . . . 24 LYS CA . 52234 1 90 . 1 . 1 25 25 LYS CB C 13 32.674 0.01 . . . . . . . 24 LYS CB . 52234 1 91 . 1 . 1 25 25 LYS N N 15 119.140 0.01 . . . . . . . 24 LYS N . 52234 1 92 . 1 . 1 26 26 GLY H H 1 8.304 0.00 . . . . . . . 25 GLY H . 52234 1 93 . 1 . 1 26 26 GLY CA C 13 47.356 0.02 . . . . . . . 25 GLY CA . 52234 1 94 . 1 . 1 26 26 GLY N N 15 107.627 0.01 . . . . . . . 25 GLY N . 52234 1 95 . 1 . 1 27 27 TYR H H 1 8.589 0.00 . . . . . . . 26 TYR H . 52234 1 96 . 1 . 1 27 27 TYR CA C 13 61.744 0.01 . . . . . . . 26 TYR CA . 52234 1 97 . 1 . 1 27 27 TYR CB C 13 38.248 0.02 . . . . . . . 26 TYR CB . 52234 1 98 . 1 . 1 27 27 TYR N N 15 122.290 0.02 . . . . . . . 26 TYR N . 52234 1 99 . 1 . 1 28 28 ARG H H 1 8.367 0.00 . . . . . . . 27 ARG H . 52234 1 100 . 1 . 1 28 28 ARG CA C 13 60.322 0.04 . . . . . . . 27 ARG CA . 52234 1 101 . 1 . 1 28 28 ARG CB C 13 30.286 0.02 . . . . . . . 27 ARG CB . 52234 1 102 . 1 . 1 28 28 ARG N N 15 118.385 0.01 . . . . . . . 27 ARG N . 52234 1 103 . 1 . 1 29 29 LYS H H 1 7.457 0.00 . . . . . . . 28 LYS H . 52234 1 104 . 1 . 1 29 29 LYS CA C 13 59.344 0.01 . . . . . . . 28 LYS CA . 52234 1 105 . 1 . 1 29 29 LYS CB C 13 32.815 0.01 . . . . . . . 28 LYS CB . 52234 1 106 . 1 . 1 29 29 LYS N N 15 114.728 0.01 . . . . . . . 28 LYS N . 52234 1 107 . 1 . 1 30 30 ALA H H 1 7.761 0.00 . . . . . . . 29 ALA H . 52234 1 108 . 1 . 1 30 30 ALA CA C 13 54.857 0.03 . . . . . . . 29 ALA CA . 52234 1 109 . 1 . 1 30 30 ALA CB C 13 18.426 0.01 . . . . . . . 29 ALA CB . 52234 1 110 . 1 . 1 30 30 ALA N N 15 121.764 0.01 . . . . . . . 29 ALA N . 52234 1 111 . 1 . 1 31 31 ALA H H 1 9.361 0.00 . . . . . . . 30 ALA H . 52234 1 112 . 1 . 1 31 31 ALA CA C 13 55.629 0.01 . . . . . . . 30 ALA CA . 52234 1 113 . 1 . 1 31 31 ALA CB C 13 17.873 0.03 . . . . . . . 30 ALA CB . 52234 1 114 . 1 . 1 31 31 ALA N N 15 121.479 0.01 . . . . . . . 30 ALA N . 52234 1 115 . 1 . 1 32 32 LEU H H 1 7.567 0.00 . . . . . . . 31 LEU H . 52234 1 116 . 1 . 1 32 32 LEU CA C 13 56.948 0.02 . . . . . . . 31 LEU CA . 52234 1 117 . 1 . 1 32 32 LEU CB C 13 41.759 0.01 . . . . . . . 31 LEU CB . 52234 1 118 . 1 . 1 32 32 LEU N N 15 113.872 0.01 . . . . . . . 31 LEU N . 52234 1 119 . 1 . 1 33 33 LYS H H 1 7.097 0.00 . . . . . . . 32 LYS H . 52234 1 120 . 1 . 1 33 33 LYS CA C 13 58.316 0.01 . . . . . . . 32 LYS CA . 52234 1 121 . 1 . 1 33 33 LYS CB C 13 32.993 0.01 . . . . . . . 32 LYS CB . 52234 1 122 . 1 . 1 33 33 LYS N N 15 117.055 0.01 . . . . . . . 32 LYS N . 52234 1 123 . 1 . 1 34 34 TYR H H 1 7.818 0.00 . . . . . . . 33 TYR H . 52234 1 124 . 1 . 1 34 34 TYR CA C 13 58.256 0.02 . . . . . . . 33 TYR CA . 52234 1 125 . 1 . 1 34 34 TYR CB C 13 39.125 0.01 . . . . . . . 33 TYR CB . 52234 1 126 . 1 . 1 34 34 TYR N N 15 112.488 0.01 . . . . . . . 33 TYR N . 52234 1 127 . 1 . 1 35 35 HIS H H 1 7.588 0.00 . . . . . . . 34 HIS H . 52234 1 128 . 1 . 1 35 35 HIS CA C 13 56.192 0.00 . . . . . . . 34 HIS CA . 52234 1 129 . 1 . 1 35 35 HIS CB C 13 30.104 0.00 . . . . . . . 34 HIS CB . 52234 1 130 . 1 . 1 35 35 HIS N N 15 123.616 0.01 . . . . . . . 34 HIS N . 52234 1 131 . 1 . 1 36 36 PRO CA C 13 64.487 0.01 . . . . . . . 35 PRO CA . 52234 1 132 . 1 . 1 36 36 PRO CB C 13 32.114 0.02 . . . . . . . 35 PRO CB . 52234 1 133 . 1 . 1 37 37 ASP H H 1 10.125 0.00 . . . . . . . 36 ASP H . 52234 1 134 . 1 . 1 37 37 ASP CA C 13 55.410 0.01 . . . . . . . 36 ASP CA . 52234 1 135 . 1 . 1 37 37 ASP CB C 13 40.536 0.00 . . . . . . . 36 ASP CB . 52234 1 136 . 1 . 1 37 37 ASP N N 15 120.593 0.00 . . . . . . . 36 ASP N . 52234 1 137 . 1 . 1 38 38 LYS H H 1 8.275 0.00 . . . . . . . 37 LYS H . 52234 1 138 . 1 . 1 38 38 LYS CA C 13 53.127 0.00 . . . . . . . 37 LYS CA . 52234 1 139 . 1 . 1 38 38 LYS CB C 13 31.444 0.00 . . . . . . . 37 LYS CB . 52234 1 140 . 1 . 1 38 38 LYS N N 15 119.989 0.01 . . . . . . . 37 LYS N . 52234 1 141 . 1 . 1 39 39 PRO CA C 13 65.334 0.01 . . . . . . . 38 PRO CA . 52234 1 142 . 1 . 1 39 39 PRO CB C 13 31.971 0.02 . . . . . . . 38 PRO CB . 52234 1 143 . 1 . 1 40 40 THR H H 1 6.863 0.00 . . . . . . . 39 THR H . 52234 1 144 . 1 . 1 40 40 THR CA C 13 60.209 0.00 . . . . . . . 39 THR CA . 52234 1 145 . 1 . 1 40 40 THR CB C 13 68.408 0.03 . . . . . . . 39 THR CB . 52234 1 146 . 1 . 1 40 40 THR N N 15 103.211 0.00 . . . . . . . 39 THR N . 52234 1 147 . 1 . 1 41 41 GLY H H 1 7.827 0.00 . . . . . . . 40 GLY H . 52234 1 148 . 1 . 1 41 41 GLY CA C 13 46.488 0.00 . . . . . . . 40 GLY CA . 52234 1 149 . 1 . 1 41 41 GLY N N 15 109.134 0.01 . . . . . . . 40 GLY N . 52234 1 150 . 1 . 1 42 42 ASP H H 1 8.555 0.00 . . . . . . . 41 ASP H . 52234 1 151 . 1 . 1 42 42 ASP CA C 13 54.264 0.01 . . . . . . . 41 ASP CA . 52234 1 152 . 1 . 1 42 42 ASP CB C 13 43.958 0.00 . . . . . . . 41 ASP CB . 52234 1 153 . 1 . 1 42 42 ASP N N 15 120.097 0.02 . . . . . . . 41 ASP N . 52234 1 154 . 1 . 1 43 43 THR H H 1 8.952 0.00 . . . . . . . 42 THR H . 52234 1 155 . 1 . 1 43 43 THR CA C 13 67.412 0.03 . . . . . . . 42 THR CA . 52234 1 156 . 1 . 1 43 43 THR CB C 13 68.654 0.04 . . . . . . . 42 THR CB . 52234 1 157 . 1 . 1 43 43 THR N N 15 122.053 0.02 . . . . . . . 42 THR N . 52234 1 158 . 1 . 1 44 44 GLU H H 1 8.112 0.00 . . . . . . . 43 GLU H . 52234 1 159 . 1 . 1 44 44 GLU CA C 13 59.594 0.02 . . . . . . . 43 GLU CA . 52234 1 160 . 1 . 1 44 44 GLU CB C 13 28.992 0.01 . . . . . . . 43 GLU CB . 52234 1 161 . 1 . 1 44 44 GLU N N 15 121.257 0.01 . . . . . . . 43 GLU N . 52234 1 162 . 1 . 1 45 45 LYS H H 1 8.155 0.00 . . . . . . . 44 LYS H . 52234 1 163 . 1 . 1 45 45 LYS CA C 13 58.359 0.01 . . . . . . . 44 LYS CA . 52234 1 164 . 1 . 1 45 45 LYS CB C 13 31.414 0.01 . . . . . . . 44 LYS CB . 52234 1 165 . 1 . 1 45 45 LYS N N 15 121.138 0.03 . . . . . . . 44 LYS N . 52234 1 166 . 1 . 1 46 46 PHE H H 1 8.875 0.00 . . . . . . . 45 PHE H . 52234 1 167 . 1 . 1 46 46 PHE CA C 13 61.278 0.01 . . . . . . . 45 PHE CA . 52234 1 168 . 1 . 1 46 46 PHE CB C 13 39.199 0.02 . . . . . . . 45 PHE CB . 52234 1 169 . 1 . 1 46 46 PHE N N 15 118.741 0.01 . . . . . . . 45 PHE N . 52234 1 170 . 1 . 1 47 47 LYS H H 1 8.284 0.00 . . . . . . . 46 LYS H . 52234 1 171 . 1 . 1 47 47 LYS CA C 13 61.332 0.01 . . . . . . . 46 LYS CA . 52234 1 172 . 1 . 1 47 47 LYS CB C 13 31.673 0.01 . . . . . . . 46 LYS CB . 52234 1 173 . 1 . 1 47 47 LYS N N 15 122.770 0.02 . . . . . . . 46 LYS N . 52234 1 174 . 1 . 1 48 48 GLU H H 1 7.970 0.00 . . . . . . . 47 GLU H . 52234 1 175 . 1 . 1 48 48 GLU CA C 13 59.997 0.04 . . . . . . . 47 GLU CA . 52234 1 176 . 1 . 1 48 48 GLU CB C 13 30.161 0.00 . . . . . . . 47 GLU CB . 52234 1 177 . 1 . 1 48 48 GLU N N 15 119.365 0.06 . . . . . . . 47 GLU N . 52234 1 178 . 1 . 1 49 49 ILE H H 1 8.583 0.00 . . . . . . . 48 ILE H . 52234 1 179 . 1 . 1 49 49 ILE CA C 13 64.130 0.02 . . . . . . . 48 ILE CA . 52234 1 180 . 1 . 1 49 49 ILE CB C 13 38.599 0.00 . . . . . . . 48 ILE CB . 52234 1 181 . 1 . 1 49 49 ILE N N 15 114.930 0.02 . . . . . . . 48 ILE N . 52234 1 182 . 1 . 1 50 50 SER H H 1 7.580 0.00 . . . . . . . 49 SER H . 52234 1 183 . 1 . 1 50 50 SER CA C 13 62.824 0.03 . . . . . . . 49 SER CA . 52234 1 184 . 1 . 1 50 50 SER N N 15 118.357 0.01 . . . . . . . 49 SER N . 52234 1 185 . 1 . 1 51 51 GLU H H 1 7.906 0.00 . . . . . . . 50 GLU H . 52234 1 186 . 1 . 1 51 51 GLU CA C 13 58.574 0.01 . . . . . . . 50 GLU CA . 52234 1 187 . 1 . 1 51 51 GLU CB C 13 28.815 0.01 . . . . . . . 50 GLU CB . 52234 1 188 . 1 . 1 51 51 GLU N N 15 124.066 0.04 . . . . . . . 50 GLU N . 52234 1 189 . 1 . 1 52 52 ALA H H 1 7.491 0.00 . . . . . . . 51 ALA H . 52234 1 190 . 1 . 1 52 52 ALA CA C 13 55.021 0.01 . . . . . . . 51 ALA CA . 52234 1 191 . 1 . 1 52 52 ALA CB C 13 18.673 0.01 . . . . . . . 51 ALA CB . 52234 1 192 . 1 . 1 52 52 ALA N N 15 118.472 0.00 . . . . . . . 51 ALA N . 52234 1 193 . 1 . 1 53 53 PHE H H 1 7.634 0.00 . . . . . . . 52 PHE H . 52234 1 194 . 1 . 1 53 53 PHE CA C 13 61.506 0.04 . . . . . . . 52 PHE CA . 52234 1 195 . 1 . 1 53 53 PHE CB C 13 39.871 0.01 . . . . . . . 52 PHE CB . 52234 1 196 . 1 . 1 53 53 PHE N N 15 115.037 0.00 . . . . . . . 52 PHE N . 52234 1 197 . 1 . 1 54 54 GLU H H 1 7.981 0.00 . . . . . . . 53 GLU H . 52234 1 198 . 1 . 1 54 54 GLU CA C 13 59.794 0.02 . . . . . . . 53 GLU CA . 52234 1 199 . 1 . 1 54 54 GLU CB C 13 28.921 0.01 . . . . . . . 53 GLU CB . 52234 1 200 . 1 . 1 54 54 GLU N N 15 119.574 0.01 . . . . . . . 53 GLU N . 52234 1 201 . 1 . 1 55 55 ILE H H 1 7.772 0.00 . . . . . . . 54 ILE H . 52234 1 202 . 1 . 1 55 55 ILE CA C 13 64.912 0.03 . . . . . . . 54 ILE CA . 52234 1 203 . 1 . 1 55 55 ILE CB C 13 37.997 0.02 . . . . . . . 54 ILE CB . 52234 1 204 . 1 . 1 55 55 ILE N N 15 115.737 0.01 . . . . . . . 54 ILE N . 52234 1 205 . 1 . 1 56 56 LEU H H 1 7.620 0.00 . . . . . . . 55 LEU H . 52234 1 206 . 1 . 1 56 56 LEU CA C 13 56.551 0.02 . . . . . . . 55 LEU CA . 52234 1 207 . 1 . 1 56 56 LEU CB C 13 42.353 0.01 . . . . . . . 55 LEU CB . 52234 1 208 . 1 . 1 56 56 LEU N N 15 112.338 0.02 . . . . . . . 55 LEU N . 52234 1 209 . 1 . 1 57 57 ASN H H 1 8.230 0.00 . . . . . . . 56 ASN H . 52234 1 210 . 1 . 1 57 57 ASN CA C 13 53.340 0.02 . . . . . . . 56 ASN CA . 52234 1 211 . 1 . 1 57 57 ASN CB C 13 39.443 0.02 . . . . . . . 56 ASN CB . 52234 1 212 . 1 . 1 57 57 ASN N N 15 113.546 0.01 . . . . . . . 56 ASN N . 52234 1 213 . 1 . 1 58 58 ASP H H 1 6.938 0.00 . . . . . . . 57 ASP H . 52234 1 214 . 1 . 1 58 58 ASP CA C 13 50.174 0.00 . . . . . . . 57 ASP CA . 52234 1 215 . 1 . 1 58 58 ASP CB C 13 42.478 0.00 . . . . . . . 57 ASP CB . 52234 1 216 . 1 . 1 58 58 ASP N N 15 120.716 0.01 . . . . . . . 57 ASP N . 52234 1 217 . 1 . 1 59 59 PRO CA C 13 65.356 0.00 . . . . . . . 58 PRO CA . 52234 1 218 . 1 . 1 59 59 PRO CB C 13 32.338 0.00 . . . . . . . 58 PRO CB . 52234 1 219 . 1 . 1 60 60 GLN H H 1 7.864 0.00 . . . . . . . 59 GLN H . 52234 1 220 . 1 . 1 60 60 GLN CA C 13 58.915 0.03 . . . . . . . 59 GLN CA . 52234 1 221 . 1 . 1 60 60 GLN CB C 13 28.938 0.01 . . . . . . . 59 GLN CB . 52234 1 222 . 1 . 1 60 60 GLN N N 15 115.764 0.00 . . . . . . . 59 GLN N . 52234 1 223 . 1 . 1 61 61 LYS H H 1 7.957 0.00 . . . . . . . 60 LYS H . 52234 1 224 . 1 . 1 61 61 LYS CA C 13 60.059 0.01 . . . . . . . 60 LYS CA . 52234 1 225 . 1 . 1 61 61 LYS CB C 13 33.105 0.01 . . . . . . . 60 LYS CB . 52234 1 226 . 1 . 1 61 61 LYS N N 15 121.208 0.01 . . . . . . . 60 LYS N . 52234 1 227 . 1 . 1 62 62 ARG H H 1 9.278 0.00 . . . . . . . 61 ARG H . 52234 1 228 . 1 . 1 62 62 ARG CA C 13 60.321 0.02 . . . . . . . 61 ARG CA . 52234 1 229 . 1 . 1 62 62 ARG CB C 13 29.896 0.00 . . . . . . . 61 ARG CB . 52234 1 230 . 1 . 1 62 62 ARG N N 15 121.924 0.01 . . . . . . . 61 ARG N . 52234 1 231 . 1 . 1 63 63 GLU H H 1 7.386 0.00 . . . . . . . 62 GLU H . 52234 1 232 . 1 . 1 63 63 GLU CA C 13 59.551 0.02 . . . . . . . 62 GLU CA . 52234 1 233 . 1 . 1 63 63 GLU CB C 13 29.766 0.00 . . . . . . . 62 GLU CB . 52234 1 234 . 1 . 1 63 63 GLU N N 15 117.018 0.01 . . . . . . . 62 GLU N . 52234 1 235 . 1 . 1 64 64 ILE H H 1 7.401 0.00 . . . . . . . 63 ILE H . 52234 1 236 . 1 . 1 64 64 ILE CA C 13 64.640 0.02 . . . . . . . 63 ILE CA . 52234 1 237 . 1 . 1 64 64 ILE CB C 13 38.012 0.02 . . . . . . . 63 ILE CB . 52234 1 238 . 1 . 1 64 64 ILE N N 15 118.897 0.01 . . . . . . . 63 ILE N . 52234 1 239 . 1 . 1 65 65 TYR H H 1 9.157 0.00 . . . . . . . 64 TYR H . 52234 1 240 . 1 . 1 65 65 TYR CA C 13 61.409 0.02 . . . . . . . 64 TYR CA . 52234 1 241 . 1 . 1 65 65 TYR CB C 13 38.116 0.08 . . . . . . . 64 TYR CB . 52234 1 242 . 1 . 1 65 65 TYR N N 15 121.609 0.01 . . . . . . . 64 TYR N . 52234 1 243 . 1 . 1 66 66 ASP H H 1 9.307 0.00 . . . . . . . 65 ASP H . 52234 1 244 . 1 . 1 66 66 ASP CA C 13 56.937 0.00 . . . . . . . 65 ASP CA . 52234 1 245 . 1 . 1 66 66 ASP CB C 13 40.497 0.01 . . . . . . . 65 ASP CB . 52234 1 246 . 1 . 1 66 66 ASP N N 15 122.206 0.02 . . . . . . . 65 ASP N . 52234 1 247 . 1 . 1 67 67 GLN H H 1 7.355 0.00 . . . . . . . 66 GLN H . 52234 1 248 . 1 . 1 67 67 GLN CA C 13 57.657 0.01 . . . . . . . 66 GLN CA . 52234 1 249 . 1 . 1 67 67 GLN CB C 13 30.480 0.01 . . . . . . . 66 GLN CB . 52234 1 250 . 1 . 1 67 67 GLN N N 15 114.609 0.01 . . . . . . . 66 GLN N . 52234 1 251 . 1 . 1 68 68 TYR H H 1 8.829 0.00 . . . . . . . 67 TYR H . 52234 1 252 . 1 . 1 68 68 TYR CA C 13 58.193 0.04 . . . . . . . 67 TYR CA . 52234 1 253 . 1 . 1 68 68 TYR CB C 13 41.434 0.02 . . . . . . . 67 TYR CB . 52234 1 254 . 1 . 1 68 68 TYR N N 15 113.638 0.01 . . . . . . . 67 TYR N . 52234 1 255 . 1 . 1 69 69 GLY H H 1 8.758 0.00 . . . . . . . 68 GLY H . 52234 1 256 . 1 . 1 69 69 GLY CA C 13 44.421 0.02 . . . . . . . 68 GLY CA . 52234 1 257 . 1 . 1 69 69 GLY N N 15 112.382 0.02 . . . . . . . 68 GLY N . 52234 1 258 . 1 . 1 70 70 LEU H H 1 8.695 0.00 . . . . . . . 69 LEU H . 52234 1 259 . 1 . 1 70 70 LEU CA C 13 59.273 0.02 . . . . . . . 69 LEU CA . 52234 1 260 . 1 . 1 70 70 LEU CB C 13 43.315 0.01 . . . . . . . 69 LEU CB . 52234 1 261 . 1 . 1 70 70 LEU N N 15 119.742 0.01 . . . . . . . 69 LEU N . 52234 1 262 . 1 . 1 71 71 GLU H H 1 8.589 0.00 . . . . . . . 70 GLU H . 52234 1 263 . 1 . 1 71 71 GLU CA C 13 59.857 0.03 . . . . . . . 70 GLU CA . 52234 1 264 . 1 . 1 71 71 GLU CB C 13 28.262 0.01 . . . . . . . 70 GLU CB . 52234 1 265 . 1 . 1 71 71 GLU N N 15 117.840 0.01 . . . . . . . 70 GLU N . 52234 1 266 . 1 . 1 72 72 ALA H H 1 8.325 0.01 . . . . . . . 71 ALA H . 52234 1 267 . 1 . 1 72 72 ALA CA C 13 54.399 0.00 . . . . . . . 71 ALA CA . 52234 1 268 . 1 . 1 72 72 ALA CB C 13 19.348 0.04 . . . . . . . 71 ALA CB . 52234 1 269 . 1 . 1 72 72 ALA N N 15 121.775 0.01 . . . . . . . 71 ALA N . 52234 1 270 . 1 . 1 73 73 ALA H H 1 7.982 0.00 . . . . . . . 72 ALA H . 52234 1 271 . 1 . 1 73 73 ALA CA C 13 55.102 0.01 . . . . . . . 72 ALA CA . 52234 1 272 . 1 . 1 73 73 ALA CB C 13 18.482 0.01 . . . . . . . 72 ALA CB . 52234 1 273 . 1 . 1 73 73 ALA N N 15 120.556 0.01 . . . . . . . 72 ALA N . 52234 1 274 . 1 . 1 74 74 ARG H H 1 8.186 0.00 . . . . . . . 73 ARG H . 52234 1 275 . 1 . 1 74 74 ARG CA C 13 58.764 0.01 . . . . . . . 73 ARG CA . 52234 1 276 . 1 . 1 74 74 ARG CB C 13 31.586 0.02 . . . . . . . 73 ARG CB . 52234 1 277 . 1 . 1 74 74 ARG N N 15 116.312 0.03 . . . . . . . 73 ARG N . 52234 1 278 . 1 . 1 75 75 SER H H 1 7.733 0.00 . . . . . . . 74 SER H . 52234 1 279 . 1 . 1 75 75 SER CA C 13 59.342 0.02 . . . . . . . 74 SER CA . 52234 1 280 . 1 . 1 75 75 SER CB C 13 64.224 0.03 . . . . . . . 74 SER CB . 52234 1 281 . 1 . 1 75 75 SER N N 15 112.731 0.02 . . . . . . . 74 SER N . 52234 1 282 . 1 . 1 76 76 GLY H H 1 7.937 0.00 . . . . . . . 75 GLY H . 52234 1 283 . 1 . 1 76 76 GLY CA C 13 45.413 0.00 . . . . . . . 75 GLY CA . 52234 1 284 . 1 . 1 76 76 GLY N N 15 109.264 0.01 . . . . . . . 75 GLY N . 52234 1 285 . 1 . 1 77 77 GLY H H 1 8.144 0.00 . . . . . . . 76 GLY H . 52234 1 286 . 1 . 1 77 77 GLY CA C 13 44.609 0.00 . . . . . . . 76 GLY CA . 52234 1 287 . 1 . 1 77 77 GLY N N 15 108.417 0.02 . . . . . . . 76 GLY N . 52234 1 288 . 1 . 1 78 78 PRO CA C 13 62.871 0.06 . . . . . . . 77 PRO CA . 52234 1 289 . 1 . 1 78 78 PRO CB C 13 31.919 0.00 . . . . . . . 77 PRO CB . 52234 1 290 . 1 . 1 79 79 SER H H 1 8.104 0.01 . . . . . . . 78 SER H . 52234 1 291 . 1 . 1 79 79 SER CA C 13 58.185 0.03 . . . . . . . 78 SER CA . 52234 1 292 . 1 . 1 79 79 SER CB C 13 63.614 0.02 . . . . . . . 78 SER CB . 52234 1 293 . 1 . 1 79 79 SER N N 15 115.037 0.01 . . . . . . . 78 SER N . 52234 1 294 . 1 . 1 80 80 PHE H H 1 7.982 0.00 . . . . . . . 79 PHE H . 52234 1 295 . 1 . 1 80 80 PHE CA C 13 57.325 0.02 . . . . . . . 79 PHE CA . 52234 1 296 . 1 . 1 80 80 PHE CB C 13 39.860 0.01 . . . . . . . 79 PHE CB . 52234 1 297 . 1 . 1 80 80 PHE N N 15 121.027 0.01 . . . . . . . 79 PHE N . 52234 1 298 . 1 . 1 81 81 GLY H H 1 8.109 0.01 . . . . . . . 80 GLY H . 52234 1 299 . 1 . 1 81 81 GLY CA C 13 44.625 0.00 . . . . . . . 80 GLY CA . 52234 1 300 . 1 . 1 81 81 GLY N N 15 109.538 0.01 . . . . . . . 80 GLY N . 52234 1 301 . 1 . 1 82 82 PRO CA C 13 63.704 0.01 . . . . . . . 81 PRO CA . 52234 1 302 . 1 . 1 82 82 PRO CB C 13 32.008 0.01 . . . . . . . 81 PRO CB . 52234 1 303 . 1 . 1 83 83 GLY H H 1 8.534 0.01 . . . . . . . 82 GLY H . 52234 1 304 . 1 . 1 83 83 GLY CA C 13 45.163 0.02 . . . . . . . 82 GLY CA . 52234 1 305 . 1 . 1 83 83 GLY N N 15 108.999 0.03 . . . . . . . 82 GLY N . 52234 1 306 . 1 . 1 84 84 GLY H H 1 8.006 0.00 . . . . . . . 83 GLY H . 52234 1 307 . 1 . 1 84 84 GLY CA C 13 44.661 0.00 . . . . . . . 83 GLY CA . 52234 1 308 . 1 . 1 84 84 GLY N N 15 108.374 0.01 . . . . . . . 83 GLY N . 52234 1 309 . 1 . 1 85 85 PRO CA C 13 63.642 0.01 . . . . . . . 84 PRO CA . 52234 1 310 . 1 . 1 85 85 PRO CB C 13 31.912 0.01 . . . . . . . 84 PRO CB . 52234 1 311 . 1 . 1 86 86 GLY H H 1 8.501 0.00 . . . . . . . 85 GLY H . 52234 1 312 . 1 . 1 86 86 GLY CA C 13 45.359 0.03 . . . . . . . 85 GLY CA . 52234 1 313 . 1 . 1 86 86 GLY N N 15 109.241 0.03 . . . . . . . 85 GLY N . 52234 1 314 . 1 . 1 87 87 GLY H H 1 8.087 0.00 . . . . . . . 86 GLY H . 52234 1 315 . 1 . 1 87 87 GLY CA C 13 45.262 0.01 . . . . . . . 86 GLY CA . 52234 1 316 . 1 . 1 87 87 GLY N N 15 108.551 0.02 . . . . . . . 86 GLY N . 52234 1 317 . 1 . 1 88 88 ALA H H 1 8.239 0.00 . . . . . . . 87 ALA H . 52234 1 318 . 1 . 1 88 88 ALA CA C 13 52.700 0.01 . . . . . . . 87 ALA CA . 52234 1 319 . 1 . 1 88 88 ALA CB C 13 19.197 0.01 . . . . . . . 87 ALA CB . 52234 1 320 . 1 . 1 88 88 ALA N N 15 123.768 0.02 . . . . . . . 87 ALA N . 52234 1 321 . 1 . 1 89 89 GLY H H 1 8.425 0.01 . . . . . . . 88 GLY H . 52234 1 322 . 1 . 1 89 89 GLY CA C 13 45.411 0.01 . . . . . . . 88 GLY CA . 52234 1 323 . 1 . 1 89 89 GLY N N 15 108.069 0.03 . . . . . . . 88 GLY N . 52234 1 324 . 1 . 1 90 90 GLY H H 1 8.151 0.01 . . . . . . . 89 GLY H . 52234 1 325 . 1 . 1 90 90 GLY CA C 13 45.233 0.02 . . . . . . . 89 GLY CA . 52234 1 326 . 1 . 1 90 90 GLY N N 15 108.566 0.04 . . . . . . . 89 GLY N . 52234 1 327 . 1 . 1 91 91 ALA H H 1 8.252 0.00 . . . . . . . 90 ALA H . 52234 1 328 . 1 . 1 91 91 ALA CA C 13 52.688 0.02 . . . . . . . 90 ALA CA . 52234 1 329 . 1 . 1 91 91 ALA CB C 13 19.215 0.02 . . . . . . . 90 ALA CB . 52234 1 330 . 1 . 1 91 91 ALA N N 15 123.795 0.01 . . . . . . . 90 ALA N . 52234 1 331 . 1 . 1 92 92 GLY H H 1 8.381 0.01 . . . . . . . 91 GLY H . 52234 1 332 . 1 . 1 92 92 GLY CA C 13 45.364 0.01 . . . . . . . 91 GLY CA . 52234 1 333 . 1 . 1 92 92 GLY N N 15 107.947 0.02 . . . . . . . 91 GLY N . 52234 1 334 . 1 . 1 93 93 GLY H H 1 8.059 0.00 . . . . . . . 92 GLY H . 52234 1 335 . 1 . 1 93 93 GLY CA C 13 44.915 0.02 . . . . . . . 92 GLY CA . 52234 1 336 . 1 . 1 93 93 GLY N N 15 108.128 0.05 . . . . . . . 92 GLY N . 52234 1 337 . 1 . 1 94 94 PHE H H 1 8.102 0.00 . . . . . . . 93 PHE H . 52234 1 338 . 1 . 1 94 94 PHE CA C 13 55.666 0.00 . . . . . . . 93 PHE CA . 52234 1 339 . 1 . 1 94 94 PHE CB C 13 39.102 0.00 . . . . . . . 93 PHE CB . 52234 1 340 . 1 . 1 94 94 PHE N N 15 120.736 0.01 . . . . . . . 93 PHE N . 52234 1 341 . 1 . 1 95 95 PRO CA C 13 63.679 0.00 . . . . . . . 94 PRO CA . 52234 1 342 . 1 . 1 95 95 PRO CB C 13 31.826 0.01 . . . . . . . 94 PRO CB . 52234 1 343 . 1 . 1 96 96 GLY H H 1 8.182 0.01 . . . . . . . 95 GLY H . 52234 1 344 . 1 . 1 96 96 GLY CA C 13 45.383 0.03 . . . . . . . 95 GLY CA . 52234 1 345 . 1 . 1 96 96 GLY N N 15 109.223 0.03 . . . . . . . 95 GLY N . 52234 1 346 . 1 . 1 97 97 GLY H H 1 8.194 0.00 . . . . . . . 96 GLY H . 52234 1 347 . 1 . 1 97 97 GLY CA C 13 45.274 0.00 . . . . . . . 96 GLY CA . 52234 1 348 . 1 . 1 97 97 GLY N N 15 108.683 0.00 . . . . . . . 96 GLY N . 52234 1 349 . 1 . 1 98 98 ALA H H 1 8.280 0.00 . . . . . . . 97 ALA H . 52234 1 350 . 1 . 1 98 98 ALA CA C 13 52.697 0.01 . . . . . . . 97 ALA CA . 52234 1 351 . 1 . 1 98 98 ALA CB C 13 19.162 0.05 . . . . . . . 97 ALA CB . 52234 1 352 . 1 . 1 98 98 ALA N N 15 123.839 0.01 . . . . . . . 97 ALA N . 52234 1 353 . 1 . 1 99 99 GLY H H 1 8.392 0.00 . . . . . . . 98 GLY H . 52234 1 354 . 1 . 1 99 99 GLY CA C 13 45.361 0.01 . . . . . . . 98 GLY CA . 52234 1 355 . 1 . 1 99 99 GLY N N 15 107.965 0.01 . . . . . . . 98 GLY N . 52234 1 356 . 1 . 1 100 100 GLY H H 1 8.072 0.00 . . . . . . . 99 GLY H . 52234 1 357 . 1 . 1 100 100 GLY CA C 13 45.121 0.02 . . . . . . . 99 GLY CA . 52234 1 358 . 1 . 1 100 100 GLY N N 15 108.204 0.00 . . . . . . . 99 GLY N . 52234 1 359 . 1 . 1 101 101 PHE H H 1 8.151 0.01 . . . . . . . 100 PHE H . 52234 1 360 . 1 . 1 101 101 PHE CA C 13 57.741 0.05 . . . . . . . 100 PHE CA . 52234 1 361 . 1 . 1 101 101 PHE CB C 13 39.682 0.02 . . . . . . . 100 PHE CB . 52234 1 362 . 1 . 1 101 101 PHE N N 15 120.090 0.01 . . . . . . . 100 PHE N . 52234 1 363 . 1 . 1 102 102 SER H H 1 8.384 0.01 . . . . . . . 101 SER H . 52234 1 364 . 1 . 1 102 102 SER CA C 13 58.323 0.06 . . . . . . . 101 SER CA . 52234 1 365 . 1 . 1 102 102 SER CB C 13 63.824 0.02 . . . . . . . 101 SER CB . 52234 1 366 . 1 . 1 102 102 SER N N 15 118.135 0.01 . . . . . . . 101 SER N . 52234 1 367 . 1 . 1 103 103 GLY H H 1 7.931 0.00 . . . . . . . 102 GLY H . 52234 1 368 . 1 . 1 103 103 GLY CA C 13 45.419 0.01 . . . . . . . 102 GLY CA . 52234 1 369 . 1 . 1 103 103 GLY N N 15 110.204 0.02 . . . . . . . 102 GLY N . 52234 1 370 . 1 . 1 104 104 GLY H H 1 8.183 0.00 . . . . . . . 103 GLY H . 52234 1 371 . 1 . 1 104 104 GLY CA C 13 45.132 0.01 . . . . . . . 103 GLY CA . 52234 1 372 . 1 . 1 104 104 GLY N N 15 108.495 0.06 . . . . . . . 103 GLY N . 52234 1 373 . 1 . 1 105 105 HIS H H 1 8.187 0.01 . . . . . . . 104 HIS H . 52234 1 374 . 1 . 1 105 105 HIS CA C 13 55.451 0.02 . . . . . . . 104 HIS CA . 52234 1 375 . 1 . 1 105 105 HIS CB C 13 30.446 0.04 . . . . . . . 104 HIS CB . 52234 1 376 . 1 . 1 105 105 HIS N N 15 118.695 0.05 . . . . . . . 104 HIS N . 52234 1 377 . 1 . 1 106 106 ALA H H 1 8.314 0.01 . . . . . . . 105 ALA H . 52234 1 378 . 1 . 1 106 106 ALA CA C 13 51.797 0.01 . . . . . . . 105 ALA CA . 52234 1 379 . 1 . 1 106 106 ALA CB C 13 19.106 0.02 . . . . . . . 105 ALA CB . 52234 1 380 . 1 . 1 106 106 ALA N N 15 127.058 0.05 . . . . . . . 105 ALA N . 52234 1 381 . 1 . 1 107 107 PHE H H 1 8.524 0.01 . . . . . . . 106 PHE H . 52234 1 382 . 1 . 1 107 107 PHE CA C 13 59.591 0.05 . . . . . . . 106 PHE CA . 52234 1 383 . 1 . 1 107 107 PHE CB C 13 39.761 0.02 . . . . . . . 106 PHE CB . 52234 1 384 . 1 . 1 107 107 PHE N N 15 125.598 0.06 . . . . . . . 106 PHE N . 52234 1 385 . 1 . 1 108 108 SER H H 1 9.118 0.00 . . . . . . . 107 SER H . 52234 1 386 . 1 . 1 108 108 SER CA C 13 56.805 0.01 . . . . . . . 107 SER CA . 52234 1 387 . 1 . 1 108 108 SER CB C 13 67.848 0.01 . . . . . . . 107 SER CB . 52234 1 388 . 1 . 1 108 108 SER N N 15 126.220 0.06 . . . . . . . 107 SER N . 52234 1 389 . 1 . 1 109 109 ASN H H 1 8.871 0.01 . . . . . . . 108 ASN H . 52234 1 390 . 1 . 1 109 109 ASN CA C 13 56.548 0.08 . . . . . . . 108 ASN CA . 52234 1 391 . 1 . 1 109 109 ASN CB C 13 37.771 0.02 . . . . . . . 108 ASN CB . 52234 1 392 . 1 . 1 109 109 ASN N N 15 118.914 0.01 . . . . . . . 108 ASN N . 52234 1 393 . 1 . 1 110 110 GLU H H 1 8.427 0.00 . . . . . . . 109 GLU H . 52234 1 394 . 1 . 1 110 110 GLU CA C 13 60.398 0.02 . . . . . . . 109 GLU CA . 52234 1 395 . 1 . 1 110 110 GLU CB C 13 29.001 0.01 . . . . . . . 109 GLU CB . 52234 1 396 . 1 . 1 110 110 GLU N N 15 119.257 0.01 . . . . . . . 109 GLU N . 52234 1 397 . 1 . 1 111 111 ASP H H 1 7.668 0.00 . . . . . . . 110 ASP H . 52234 1 398 . 1 . 1 111 111 ASP CA C 13 57.135 0.00 . . . . . . . 110 ASP CA . 52234 1 399 . 1 . 1 111 111 ASP CB C 13 39.389 0.02 . . . . . . . 110 ASP CB . 52234 1 400 . 1 . 1 111 111 ASP N N 15 120.742 0.01 . . . . . . . 110 ASP N . 52234 1 401 . 1 . 1 112 112 ALA H H 1 7.650 0.00 . . . . . . . 111 ALA H . 52234 1 402 . 1 . 1 112 112 ALA CA C 13 55.443 0.01 . . . . . . . 111 ALA CA . 52234 1 403 . 1 . 1 112 112 ALA CB C 13 18.391 0.02 . . . . . . . 111 ALA CB . 52234 1 404 . 1 . 1 112 112 ALA N N 15 122.386 0.01 . . . . . . . 111 ALA N . 52234 1 405 . 1 . 1 113 113 PHE H H 1 8.527 0.01 . . . . . . . 112 PHE H . 52234 1 406 . 1 . 1 113 113 PHE CA C 13 62.153 0.03 . . . . . . . 112 PHE CA . 52234 1 407 . 1 . 1 113 113 PHE CB C 13 38.229 0.01 . . . . . . . 112 PHE CB . 52234 1 408 . 1 . 1 113 113 PHE N N 15 118.679 0.04 . . . . . . . 112 PHE N . 52234 1 409 . 1 . 1 114 114 ASN H H 1 8.535 0.00 . . . . . . . 113 ASN H . 52234 1 410 . 1 . 1 114 114 ASN CA C 13 56.398 0.02 . . . . . . . 113 ASN CA . 52234 1 411 . 1 . 1 114 114 ASN CB C 13 38.003 0.01 . . . . . . . 113 ASN CB . 52234 1 412 . 1 . 1 114 114 ASN N N 15 120.992 0.01 . . . . . . . 113 ASN N . 52234 1 413 . 1 . 1 115 115 ILE H H 1 8.153 0.00 . . . . . . . 114 ILE H . 52234 1 414 . 1 . 1 115 115 ILE CA C 13 64.647 0.01 . . . . . . . 114 ILE CA . 52234 1 415 . 1 . 1 115 115 ILE CB C 13 38.139 0.04 . . . . . . . 114 ILE CB . 52234 1 416 . 1 . 1 115 115 ILE N N 15 122.015 0.02 . . . . . . . 114 ILE N . 52234 1 417 . 1 . 1 116 116 PHE H H 1 8.175 0.00 . . . . . . . 115 PHE H . 52234 1 418 . 1 . 1 116 116 PHE CA C 13 62.276 0.01 . . . . . . . 115 PHE CA . 52234 1 419 . 1 . 1 116 116 PHE CB C 13 40.002 0.02 . . . . . . . 115 PHE CB . 52234 1 420 . 1 . 1 116 116 PHE N N 15 121.579 0.02 . . . . . . . 115 PHE N . 52234 1 421 . 1 . 1 117 117 SER H H 1 8.735 0.01 . . . . . . . 116 SER H . 52234 1 422 . 1 . 1 117 117 SER CA C 13 61.403 0.01 . . . . . . . 116 SER CA . 52234 1 423 . 1 . 1 117 117 SER CB C 13 63.228 0.06 . . . . . . . 116 SER CB . 52234 1 424 . 1 . 1 117 117 SER N N 15 114.057 0.01 . . . . . . . 116 SER N . 52234 1 425 . 1 . 1 118 118 GLN H H 1 8.002 0.00 . . . . . . . 117 GLN H . 52234 1 426 . 1 . 1 118 118 GLN CA C 13 58.231 0.02 . . . . . . . 117 GLN CA . 52234 1 427 . 1 . 1 118 118 GLN CB C 13 28.870 0.02 . . . . . . . 117 GLN CB . 52234 1 428 . 1 . 1 118 118 GLN N N 15 120.235 0.01 . . . . . . . 117 GLN N . 52234 1 429 . 1 . 1 119 119 PHE H H 1 8.192 0.01 . . . . . . . 118 PHE H . 52234 1 430 . 1 . 1 119 119 PHE CA C 13 60.611 0.02 . . . . . . . 118 PHE CA . 52234 1 431 . 1 . 1 119 119 PHE CB C 13 40.483 0.01 . . . . . . . 118 PHE CB . 52234 1 432 . 1 . 1 119 119 PHE N N 15 117.760 0.01 . . . . . . . 118 PHE N . 52234 1 433 . 1 . 1 120 120 PHE H H 1 8.366 0.01 . . . . . . . 119 PHE H . 52234 1 434 . 1 . 1 120 120 PHE CA C 13 59.215 0.02 . . . . . . . 119 PHE CA . 52234 1 435 . 1 . 1 120 120 PHE CB C 13 39.457 0.01 . . . . . . . 119 PHE CB . 52234 1 436 . 1 . 1 120 120 PHE N N 15 116.895 0.02 . . . . . . . 119 PHE N . 52234 1 437 . 1 . 1 121 121 GLY H H 1 7.917 0.00 . . . . . . . 120 GLY H . 52234 1 438 . 1 . 1 121 121 GLY CA C 13 45.626 0.02 . . . . . . . 120 GLY CA . 52234 1 439 . 1 . 1 121 121 GLY N N 15 109.415 0.02 . . . . . . . 120 GLY N . 52234 1 440 . 1 . 1 122 122 GLY H H 1 7.835 0.01 . . . . . . . 121 GLY H . 52234 1 441 . 1 . 1 122 122 GLY CA C 13 45.996 0.00 . . . . . . . 121 GLY CA . 52234 1 442 . 1 . 1 122 122 GLY N N 15 114.848 0.01 . . . . . . . 121 GLY N . 52234 1 stop_ save_