################################### # 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 27304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27304 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 2 $CARA . . 27304 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.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 7 7 GLY H H 1 8.069 0.020 . 1 . . . . . 1 GLY H . 27304 1 2 . 1 1 7 7 GLY N N 15 110.603 0.3 . 1 . . . . . 1 GLY N . 27304 1 3 . 1 1 8 8 ALA H H 1 8.193 0.020 . 1 . . . . . 2 ALA H . 27304 1 4 . 1 1 8 8 ALA N N 15 123.584 0.3 . 1 . . . . . 2 ALA N . 27304 1 5 . 1 1 9 9 ALA H H 1 8.411 0.020 . 1 . . . . . 3 ALA H . 27304 1 6 . 1 1 9 9 ALA N N 15 123.116 0.3 . 1 . . . . . 3 ALA N . 27304 1 7 . 1 1 10 10 ALA H H 1 8.271 0.020 . 1 . . . . . 4 ALA H . 27304 1 8 . 1 1 10 10 ALA N N 15 122.801 0.3 . 1 . . . . . 4 ALA N . 27304 1 9 . 1 1 11 11 GLY H H 1 8.333 0.020 . 1 . . . . . 5 GLY H . 27304 1 10 . 1 1 11 11 GLY N N 15 108.016 0.3 . 1 . . . . . 5 GLY N . 27304 1 11 . 1 1 12 12 VAL H H 1 8.057 0.020 . 1 . . . . . 6 VAL H . 27304 1 12 . 1 1 12 12 VAL N N 15 119.907 0.3 . 1 . . . . . 6 VAL N . 27304 1 13 . 1 1 13 13 SER H H 1 8.466 0.020 . 1 . . . . . 7 SER H . 27304 1 14 . 1 1 13 13 SER N N 15 120.142 0.3 . 1 . . . . . 7 SER N . 27304 1 15 . 1 1 14 14 ALA H H 1 8.975 0.020 . 1 . . . . . 8 ALA H . 27304 1 16 . 1 1 14 14 ALA N N 15 126.555 0.3 . 1 . . . . . 8 ALA N . 27304 1 17 . 1 1 15 15 ALA H H 1 8.302 0.020 . 1 . . . . . 9 ALA H . 27304 1 18 . 1 1 15 15 ALA N N 15 119.359 0.3 . 1 . . . . . 9 ALA N . 27304 1 19 . 1 1 16 16 GLY H H 1 7.889 0.020 . 1 . . . . . 10 GLY H . 27304 1 20 . 1 1 16 16 GLY N N 15 104.817 0.3 . 1 . . . . . 10 GLY N . 27304 1 21 . 1 1 17 17 ILE H H 1 7.677 0.020 . 1 . . . . . 11 ILE H . 27304 1 22 . 1 1 17 17 ILE N N 15 118.858 0.3 . 1 . . . . . 11 ILE N . 27304 1 23 . 1 1 18 18 GLU H H 1 7.685 0.020 . 1 . . . . . 12 GLU H . 27304 1 24 . 1 1 18 18 GLU N N 15 115.142 0.3 . 1 . . . . . 12 GLU N . 27304 1 25 . 1 1 20 20 ASP H H 1 8.621 0.020 . 1 . . . . . 14 ASP H . 27304 1 26 . 1 1 20 20 ASP N N 15 127.028 0.3 . 1 . . . . . 14 ASP N . 27304 1 27 . 1 1 21 21 LEU H H 1 7.824 0.020 . 1 . . . . . 15 LEU H . 27304 1 28 . 1 1 21 21 LEU N N 15 121.395 0.3 . 1 . . . . . 15 LEU N . 27304 1 29 . 1 1 22 22 THR H H 1 8.590 0.020 . 1 . . . . . 16 THR H . 27304 1 30 . 1 1 22 22 THR N N 15 115.608 0.3 . 1 . . . . . 16 THR N . 27304 1 31 . 1 1 23 23 ALA H H 1 7.803 0.020 . 1 . . . . . 17 ALA H . 27304 1 32 . 1 1 23 23 ALA N N 15 122.093 0.3 . 1 . . . . . 17 ALA N . 27304 1 33 . 1 1 24 24 ILE H H 1 7.765 0.020 . 1 . . . . . 18 ILE H . 27304 1 34 . 1 1 24 24 ILE N N 15 118.733 0.3 . 1 . . . . . 18 ILE N . 27304 1 35 . 1 1 25 25 TRP H H 1 9.172 0.020 . 1 . . . . . 19 TRP H . 27304 1 36 . 1 1 25 25 TRP N N 15 122.020 0.3 . 1 . . . . . 19 TRP N . 27304 1 37 . 1 1 26 26 GLN H H 1 9.236 0.020 . 1 . . . . . 20 GLN H . 27304 1 38 . 1 1 26 26 GLN N N 15 118.331 0.3 . 1 . . . . . 20 GLN N . 27304 1 39 . 1 1 27 27 ALA H H 1 7.412 0.020 . 1 . . . . . 21 ALA H . 27304 1 40 . 1 1 27 27 ALA N N 15 118.736 0.3 . 1 . . . . . 21 ALA N . 27304 1 41 . 1 1 28 28 LEU H H 1 8.148 0.020 . 1 . . . . . 22 LEU H . 27304 1 42 . 1 1 28 28 LEU N N 15 119.598 0.3 . 1 . . . . . 22 LEU N . 27304 1 43 . 1 1 29 29 PHE H H 1 7.916 0.020 . 1 . . . . . 23 PHE H . 27304 1 44 . 1 1 29 29 PHE N N 15 113.257 0.3 . 1 . . . . . 23 PHE N . 27304 1 45 . 1 1 30 30 ALA H H 1 7.843 0.020 . 1 . . . . . 24 ALA H . 27304 1 46 . 1 1 30 30 ALA N N 15 123.116 0.3 . 1 . . . . . 24 ALA N . 27304 1 47 . 1 1 31 31 LEU H H 1 8.037 0.020 . 1 . . . . . 25 LEU H . 27304 1 48 . 1 1 31 31 LEU N N 15 117.955 0.3 . 1 . . . . . 25 LEU N . 27304 1 49 . 1 1 33 33 ALA H H 1 7.113 0.020 . 1 . . . . . 27 ALA H . 27304 1 50 . 1 1 33 33 ALA N N 15 117.091 0.3 . 1 . . . . . 27 ALA N . 27304 1 51 . 1 1 34 34 VAL H H 1 8.255 0.020 . 1 . . . . . 28 VAL H . 27304 1 52 . 1 1 34 34 VAL N N 15 121.942 0.3 . 1 . . . . . 28 VAL N . 27304 1 53 . 1 1 35 35 GLY H H 1 9.461 0.020 . 1 . . . . . 29 GLY H . 27304 1 54 . 1 1 35 35 GLY N N 15 117.015 0.3 . 1 . . . . . 29 GLY N . 27304 1 55 . 1 1 36 36 ARG H H 1 8.557 0.020 . 1 . . . . . 30 ARG H . 27304 1 56 . 1 1 36 36 ARG N N 15 121.779 0.3 . 1 . . . . . 30 ARG N . 27304 1 57 . 1 1 37 37 HIS H H 1 8.263 0.020 . 1 . . . . . 31 HIS H . 27304 1 58 . 1 1 37 37 HIS N N 15 113.416 0.3 . 1 . . . . . 31 HIS N . 27304 1 59 . 1 1 38 38 GLN H H 1 7.399 0.020 . 1 . . . . . 32 GLN H . 27304 1 60 . 1 1 38 38 GLN N N 15 119.993 0.3 . 1 . . . . . 32 GLN N . 27304 1 61 . 1 1 39 39 ASP H H 1 8.744 0.020 . 1 . . . . . 33 ASP H . 27304 1 62 . 1 1 39 39 ASP N N 15 126.086 0.3 . 1 . . . . . 33 ASP N . 27304 1 63 . 1 1 40 40 PHE H H 1 9.719 0.020 . 1 . . . . . 34 PHE H . 27304 1 64 . 1 1 40 40 PHE N N 15 125.774 0.3 . 1 . . . . . 34 PHE N . 27304 1 65 . 1 1 41 41 PHE H H 1 8.275 0.020 . 1 . . . . . 35 PHE H . 27304 1 66 . 1 1 41 41 PHE N N 15 116.703 0.3 . 1 . . . . . 35 PHE N . 27304 1 67 . 1 1 42 42 ALA H H 1 9.197 0.020 . 1 . . . . . 36 ALA H . 27304 1 68 . 1 1 42 42 ALA N N 15 128.902 0.3 . 1 . . . . . 36 ALA N . 27304 1 69 . 1 1 43 43 LEU H H 1 7.761 0.020 . 1 . . . . . 37 LEU H . 27304 1 70 . 1 1 43 43 LEU N N 15 116.928 0.3 . 1 . . . . . 37 LEU N . 27304 1 71 . 1 1 44 44 GLY H H 1 7.531 0.020 . 1 . . . . . 38 GLY H . 27304 1 72 . 1 1 44 44 GLY N N 15 103.646 0.3 . 1 . . . . . 38 GLY N . 27304 1 73 . 1 1 45 45 GLY H H 1 8.194 0.020 . 1 . . . . . 39 GLY H . 27304 1 74 . 1 1 45 45 GLY N N 15 109.510 0.3 . 1 . . . . . 39 GLY N . 27304 1 75 . 1 1 46 46 ASP H H 1 6.964 0.020 . 1 . . . . . 40 ASP H . 27304 1 76 . 1 1 46 46 ASP N N 15 117.956 0.3 . 1 . . . . . 40 ASP N . 27304 1 77 . 1 1 47 47 SER H H 1 9.485 0.020 . 1 . . . . . 41 SER H . 27304 1 78 . 1 1 47 47 SER N N 15 114.767 0.3 . 1 . . . . . 41 SER N . 27304 1 79 . 1 1 48 48 GLN H H 1 7.957 0.020 . 1 . . . . . 42 GLN H . 27304 1 80 . 1 1 48 48 GLN N N 15 120.922 0.3 . 1 . . . . . 42 GLN N . 27304 1 81 . 1 1 49 49 LEU H H 1 9.031 0.020 . 1 . . . . . 43 LEU H . 27304 1 82 . 1 1 49 49 LEU N N 15 123.895 0.3 . 1 . . . . . 43 LEU N . 27304 1 83 . 1 1 50 50 GLY H H 1 8.979 0.020 . 1 . . . . . 44 GLY H . 27304 1 84 . 1 1 50 50 GLY N N 15 107.324 0.3 . 1 . . . . . 44 GLY N . 27304 1 85 . 1 1 51 51 LEU H H 1 8.483 0.020 . 1 . . . . . 45 LEU H . 27304 1 86 . 1 1 51 51 LEU N N 15 119.048 0.3 . 1 . . . . . 45 LEU N . 27304 1 87 . 1 1 52 52 ARG H H 1 8.704 0.020 . 1 . . . . . 46 ARG H . 27304 1 88 . 1 1 52 52 ARG N N 15 115.918 0.3 . 1 . . . . . 46 ARG N . 27304 1 89 . 1 1 55 55 ALA H H 1 7.360 0.020 . 1 . . . . . 49 ALA H . 27304 1 90 . 1 1 55 55 ALA N N 15 118.888 0.3 . 1 . . . . . 49 ALA N . 27304 1 91 . 1 1 56 56 GLN H H 1 8.015 0.020 . 1 . . . . . 50 GLN H . 27304 1 92 . 1 1 56 56 GLN N N 15 119.742 0.3 . 1 . . . . . 50 GLN N . 27304 1 93 . 1 1 57 57 LEU H H 1 9.125 0.020 . 1 . . . . . 51 LEU H . 27304 1 94 . 1 1 57 57 LEU N N 15 123.895 0.3 . 1 . . . . . 51 LEU N . 27304 1 95 . 1 1 58 58 ARG H H 1 7.844 0.020 . 1 . . . . . 52 ARG H . 27304 1 96 . 1 1 58 58 ARG N N 15 120.764 0.3 . 1 . . . . . 52 ARG N . 27304 1 97 . 1 1 59 59 GLU H H 1 8.585 0.020 . 1 . . . . . 53 GLU H . 27304 1 98 . 1 1 59 59 GLU N N 15 121.165 0.3 . 1 . . . . . 53 GLU N . 27304 1 99 . 1 1 60 60 ARG H H 1 8.364 0.020 . 1 . . . . . 54 ARG H . 27304 1 100 . 1 1 60 60 ARG N N 15 114.515 0.3 . 1 . . . . . 54 ARG N . 27304 1 101 . 1 1 61 61 HIS H H 1 7.769 0.020 . 1 . . . . . 55 HIS H . 27304 1 102 . 1 1 61 61 HIS N N 15 112.244 0.3 . 1 . . . . . 55 HIS N . 27304 1 103 . 1 1 62 62 GLY H H 1 7.980 0.020 . 1 . . . . . 56 GLY H . 27304 1 104 . 1 1 62 62 GLY N N 15 109.184 0.3 . 1 . . . . . 56 GLY N . 27304 1 105 . 1 1 63 63 VAL H H 1 6.648 0.020 . 1 . . . . . 57 VAL H . 27304 1 106 . 1 1 63 63 VAL N N 15 118.562 0.3 . 1 . . . . . 57 VAL N . 27304 1 107 . 1 1 64 64 ASP H H 1 8.944 0.020 . 1 . . . . . 58 ASP H . 27304 1 108 . 1 1 64 64 ASP N N 15 129.216 0.3 . 1 . . . . . 58 ASP N . 27304 1 109 . 1 1 65 65 LEU H H 1 8.738 0.020 . 1 . . . . . 59 LEU H . 27304 1 110 . 1 1 65 65 LEU N N 15 124.992 0.3 . 1 . . . . . 59 LEU N . 27304 1 111 . 1 1 67 67 LEU H H 1 8.469 0.020 . 1 . . . . . 61 LEU H . 27304 1 112 . 1 1 67 67 LEU N N 15 121.863 0.3 . 1 . . . . . 61 LEU N . 27304 1 113 . 1 1 68 68 ARG H H 1 8.683 0.020 . 1 . . . . . 62 ARG H . 27304 1 114 . 1 1 68 68 ARG N N 15 115.768 0.3 . 1 . . . . . 62 ARG N . 27304 1 115 . 1 1 69 69 CYS H H 1 7.928 0.020 . 1 . . . . . 63 CYS H . 27304 1 116 . 1 1 69 69 CYS N N 15 115.138 0.3 . 1 . . . . . 63 CYS N . 27304 1 117 . 1 1 70 70 LEU H H 1 7.609 0.020 . 1 . . . . . 64 LEU H . 27304 1 118 . 1 1 70 70 LEU N N 15 118.893 0.3 . 1 . . . . . 64 LEU N . 27304 1 119 . 1 1 71 71 TYR H H 1 7.065 0.020 . 1 . . . . . 65 TYR H . 27304 1 120 . 1 1 71 71 TYR N N 15 114.743 0.3 . 1 . . . . . 65 TYR N . 27304 1 121 . 1 1 72 72 GLU H H 1 7.747 0.020 . 1 . . . . . 66 GLU H . 27304 1 122 . 1 1 72 72 GLU N N 15 115.300 0.3 . 1 . . . . . 66 GLU N . 27304 1 123 . 1 1 73 73 ALA H H 1 7.508 0.020 . 1 . . . . . 67 ALA H . 27304 1 124 . 1 1 73 73 ALA N N 15 123.586 0.3 . 1 . . . . . 67 ALA N . 27304 1 125 . 1 1 75 75 THR H H 1 7.509 0.020 . 1 . . . . . 69 THR H . 27304 1 126 . 1 1 75 75 THR N N 15 109.183 0.3 . 1 . . . . . 69 THR N . 27304 1 127 . 1 1 76 76 VAL H H 1 9.877 0.020 . 1 . . . . . 70 VAL H . 27304 1 128 . 1 1 76 76 VAL N N 15 124.991 0.3 . 1 . . . . . 70 VAL N . 27304 1 129 . 1 1 77 77 ALA H H 1 8.687 0.020 . 1 . . . . . 71 ALA H . 27304 1 130 . 1 1 77 77 ALA N N 15 118.580 0.3 . 1 . . . . . 71 ALA N . 27304 1 131 . 1 1 78 78 ARG H H 1 8.088 0.020 . 1 . . . . . 72 ARG H . 27304 1 132 . 1 1 78 78 ARG N N 15 116.234 0.3 . 1 . . . . . 72 ARG N . 27304 1 133 . 1 1 79 79 LEU H H 1 9.626 0.020 . 1 . . . . . 73 LEU H . 27304 1 134 . 1 1 79 79 LEU N N 15 126.714 0.3 . 1 . . . . . 73 LEU N . 27304 1 135 . 1 1 80 80 ALA H H 1 8.611 0.020 . 1 . . . . . 74 ALA H . 27304 1 136 . 1 1 80 80 ALA N N 15 120.457 0.3 . 1 . . . . . 74 ALA N . 27304 1 137 . 1 1 81 81 GLU H H 1 7.135 0.020 . 1 . . . . . 75 GLU H . 27304 1 138 . 1 1 81 81 GLU N N 15 115.604 0.3 . 1 . . . . . 75 GLU N . 27304 1 139 . 1 1 82 82 THR H H 1 7.904 0.020 . 1 . . . . . 76 THR H . 27304 1 140 . 1 1 82 82 THR N N 15 117.793 0.3 . 1 . . . . . 76 THR N . 27304 1 141 . 1 1 83 83 ILE H H 1 8.115 0.020 . 1 . . . . . 77 ILE H . 27304 1 142 . 1 1 83 83 ILE N N 15 121.239 0.3 . 1 . . . . . 77 ILE N . 27304 1 143 . 1 1 84 84 VAL H H 1 7.937 0.020 . 1 . . . . . 78 VAL H . 27304 1 144 . 1 1 84 84 VAL N N 15 118.106 0.3 . 1 . . . . . 78 VAL N . 27304 1 145 . 1 1 85 85 ARG H H 1 7.882 0.020 . 1 . . . . . 79 ARG H . 27304 1 146 . 1 1 85 85 ARG N N 15 119.517 0.3 . 1 . . . . . 79 ARG N . 27304 1 147 . 1 1 86 86 LEU H H 1 7.976 0.020 . 1 . . . . . 80 LEU H . 27304 1 148 . 1 1 86 86 LEU N N 15 118.421 0.3 . 1 . . . . . 80 LEU N . 27304 1 149 . 1 1 87 87 ALA H H 1 7.719 0.020 . 1 . . . . . 81 ALA H . 27304 1 150 . 1 1 87 87 ALA N N 15 121.550 0.3 . 1 . . . . . 81 ALA N . 27304 1 151 . 1 1 88 88 ALA H H 1 7.776 0.020 . 1 . . . . . 82 ALA H . 27304 1 152 . 1 1 88 88 ALA N N 15 123.582 0.3 . 1 . . . . . 82 ALA N . 27304 1 153 . 1 1 90 90 ALA H H 1 8.551 0.020 . 1 . . . . . 84 ALA H . 27304 1 154 . 1 1 90 90 ALA N N 15 125.862 0.3 . 1 . . . . . 84 ALA N . 27304 1 155 . 1 1 92 92 SER H H 1 8.606 0.020 . 1 . . . . . 86 SER H . 27304 1 156 . 1 1 92 92 SER N N 15 116.633 0.3 . 1 . . . . . 86 SER N . 27304 1 157 . 1 1 93 93 GLY H H 1 8.535 0.020 . 1 . . . . . 87 GLY H . 27304 1 158 . 1 1 93 93 GLY N N 15 110.915 0.3 . 1 . . . . . 87 GLY N . 27304 1 159 . 1 1 94 94 ASP H H 1 8.267 0.020 . 1 . . . . . 88 ASP H . 27304 1 160 . 1 1 94 94 ASP N N 15 122.137 0.3 . 1 . . . . . 88 ASP N . 27304 1 161 . 1 1 95 95 GLN H H 1 8.466 0.020 . 1 . . . . . 89 GLN H . 27304 1 162 . 1 1 95 95 GLN N N 15 120.760 0.3 . 1 . . . . . 89 GLN N . 27304 1 163 . 1 1 96 96 ASP H H 1 8.372 0.020 . 1 . . . . . 90 ASP H . 27304 1 164 . 1 1 96 96 ASP N N 15 120.383 0.3 . 1 . . . . . 90 ASP N . 27304 1 165 . 1 1 97 97 ASP H H 1 8.376 0.020 . 1 . . . . . 91 ASP H . 27304 1 166 . 1 1 97 97 ASP N N 15 121.082 0.3 . 1 . . . . . 91 ASP N . 27304 1 167 . 1 1 98 98 ALA H H 1 8.357 0.020 . 1 . . . . . 92 ALA H . 27304 1 168 . 1 1 98 98 ALA N N 15 124.684 0.3 . 1 . . . . . 92 ALA N . 27304 1 169 . 1 1 99 99 SER H H 1 8.364 0.020 . 1 . . . . . 93 SER H . 27304 1 170 . 1 1 99 99 SER N N 15 115.292 0.3 . 1 . . . . . 93 SER N . 27304 1 171 . 1 1 100 100 GLU H H 1 8.411 0.020 . 1 . . . . . 94 GLU H . 27304 1 172 . 1 1 100 100 GLU N N 15 122.327 0.3 . 1 . . . . . 94 GLU N . 27304 1 173 . 1 1 101 101 TYR H H 1 8.169 0.020 . 1 . . . . . 95 TYR H . 27304 1 174 . 1 1 101 101 TYR N N 15 120.698 0.3 . 1 . . . . . 95 TYR N . 27304 1 175 . 1 1 102 102 GLU H H 1 8.268 0.020 . 1 . . . . . 96 GLU H . 27304 1 176 . 1 1 102 102 GLU N N 15 123.572 0.3 . 1 . . . . . 96 GLU N . 27304 1 177 . 1 1 103 103 GLU H H 1 8.534 0.020 . 1 . . . . . 97 GLU H . 27304 1 178 . 1 1 103 103 GLU N N 15 122.801 0.3 . 1 . . . . . 97 GLU N . 27304 1 179 . 1 1 104 104 GLY H H 1 8.584 0.020 . 1 . . . . . 98 GLY H . 27304 1 180 . 1 1 104 104 GLY N N 15 110.291 0.3 . 1 . . . . . 98 GLY N . 27304 1 181 . 1 1 105 105 VAL H H 1 7.820 0.020 . 1 . . . . . 99 VAL H . 27304 1 182 . 1 1 105 105 VAL N N 15 119.830 0.3 . 1 . . . . . 99 VAL N . 27304 1 183 . 1 1 106 106 ILE H H 1 8.415 0.020 . 1 . . . . . 100 ILE H . 27304 1 184 . 1 1 106 106 ILE N N 15 126.706 0.3 . 1 . . . . . 100 ILE N . 27304 1 185 . 1 1 107 107 ARG H H 1 8.122 0.020 . 1 . . . . . 101 ARG H . 27304 1 186 . 1 1 107 107 ARG N N 15 131.671 0.3 . 1 . . . . . 101 ARG N . 27304 1 stop_ save_