################################### # 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 50255 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shifts _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' . . . 50255 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 . . 50255 1 2 $software_2 . . 50255 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 6 6 GLU H H 1 9.727 0.00 . 1 . . . . . 6 GLU H . 50255 1 2 . 1 . 1 6 6 GLU N N 15 129.280 0.00 . 1 . . . . . 6 GLU N . 50255 1 3 . 1 . 1 7 7 GLN H H 1 8.548 0.00 . 1 . . . . . 7 GLN H . 50255 1 4 . 1 . 1 7 7 GLN N N 15 116.055 0.00 . 1 . . . . . 7 GLN N . 50255 1 5 . 1 . 1 8 8 PHE H H 1 7.628 0.00 . 1 . . . . . 8 PHE H . 50255 1 6 . 1 . 1 8 8 PHE N N 15 116.432 0.00 . 1 . . . . . 8 PHE N . 50255 1 7 . 1 . 1 9 9 ARG H H 1 7.828 0.00 . 1 . . . . . 9 ARG H . 50255 1 8 . 1 . 1 9 9 ARG N N 15 117.173 0.00 . 1 . . . . . 9 ARG N . 50255 1 9 . 1 . 1 10 10 LYS H H 1 7.092 0.00 . 1 . . . . . 10 LYS H . 50255 1 10 . 1 . 1 10 10 LYS N N 15 120.803 0.00 . 1 . . . . . 10 LYS N . 50255 1 11 . 1 . 1 11 11 LEU H H 1 9.518 0.00 . 1 . . . . . 11 LEU H . 50255 1 12 . 1 . 1 11 11 LEU N N 15 126.021 0.00 . 1 . . . . . 11 LEU N . 50255 1 13 . 1 . 1 12 12 PHE H H 1 9.222 0.00 . 1 . . . . . 12 PHE H . 50255 1 14 . 1 . 1 12 12 PHE N N 15 123.929 0.00 . 1 . . . . . 12 PHE N . 50255 1 15 . 1 . 1 13 13 ILE H H 1 8.625 0.00 . 1 . . . . . 13 ILE H . 50255 1 16 . 1 . 1 13 13 ILE N N 15 126.395 0.00 . 1 . . . . . 13 ILE N . 50255 1 17 . 1 . 1 14 14 GLY H H 1 7.923 0.00 . 1 . . . . . 14 GLY H . 50255 1 18 . 1 . 1 14 14 GLY N N 15 112.645 0.00 . 1 . . . . . 14 GLY N . 50255 1 19 . 1 . 1 15 15 GLY H H 1 8.522 0.00 . 1 . . . . . 15 GLY H . 50255 1 20 . 1 . 1 15 15 GLY N N 15 107.558 0.00 . 1 . . . . . 15 GLY N . 50255 1 21 . 1 . 1 16 16 LEU H H 1 7.544 0.00 . 1 . . . . . 16 LEU H . 50255 1 22 . 1 . 1 16 16 LEU N N 15 115.737 0.00 . 1 . . . . . 16 LEU N . 50255 1 23 . 1 . 1 17 17 SER H H 1 9.066 0.00 . 1 . . . . . 17 SER H . 50255 1 24 . 1 . 1 17 17 SER N N 15 115.045 0.00 . 1 . . . . . 17 SER N . 50255 1 25 . 1 . 1 18 18 PHE H H 1 9.006 0.00 . 1 . . . . . 18 PHE H . 50255 1 26 . 1 . 1 18 18 PHE N N 15 128.047 0.00 . 1 . . . . . 18 PHE N . 50255 1 27 . 1 . 1 19 19 GLU H H 1 8.257 0.00 . 1 . . . . . 19 GLU H . 50255 1 28 . 1 . 1 19 19 GLU N N 15 115.882 0.00 . 1 . . . . . 19 GLU N . 50255 1 29 . 1 . 1 20 20 THR H H 1 7.345 0.00 . 1 . . . . . 20 THR H . 50255 1 30 . 1 . 1 20 20 THR N N 15 118.544 0.00 . 1 . . . . . 20 THR N . 50255 1 31 . 1 . 1 21 21 THR H H 1 8.093 0.00 . 1 . . . . . 21 THR H . 50255 1 32 . 1 . 1 21 21 THR N N 15 119.203 0.00 . 1 . . . . . 21 THR N . 50255 1 33 . 1 . 1 22 22 GLU H H 1 9.938 0.00 . 1 . . . . . 22 GLU H . 50255 1 34 . 1 . 1 22 22 GLU N N 15 120.891 0.00 . 1 . . . . . 22 GLU N . 50255 1 35 . 1 . 1 23 23 GLU H H 1 8.243 0.00 . 1 . . . . . 23 GLU H . 50255 1 36 . 1 . 1 23 23 GLU N N 15 117.824 0.00 . 1 . . . . . 23 GLU N . 50255 1 37 . 1 . 1 24 24 SER H H 1 7.732 0.00 . 1 . . . . . 24 SER H . 50255 1 38 . 1 . 1 24 24 SER N N 15 116.307 0.00 . 1 . . . . . 24 SER N . 50255 1 39 . 1 . 1 25 25 LEU H H 1 8.279 0.00 . 1 . . . . . 25 LEU H . 50255 1 40 . 1 . 1 25 25 LEU N N 15 124.152 0.00 . 1 . . . . . 25 LEU N . 50255 1 41 . 1 . 1 26 26 ARG H H 1 8.366 0.00 . 1 . . . . . 26 ARG H . 50255 1 42 . 1 . 1 26 26 ARG N N 15 119.772 0.00 . 1 . . . . . 26 ARG N . 50255 1 43 . 1 . 1 27 27 ASN H H 1 8.179 0.00 . 1 . . . . . 27 ASN H . 50255 1 44 . 1 . 1 27 27 ASN N N 15 114.822 0.00 . 1 . . . . . 27 ASN N . 50255 1 45 . 1 . 1 28 28 TYR H H 1 7.697 0.00 . 1 . . . . . 28 TYR H . 50255 1 46 . 1 . 1 28 28 TYR N N 15 117.450 0.00 . 1 . . . . . 28 TYR N . 50255 1 47 . 1 . 1 29 29 TYR H H 1 8.283 0.00 . 1 . . . . . 29 TYR H . 50255 1 48 . 1 . 1 29 29 TYR N N 15 116.176 0.00 . 1 . . . . . 29 TYR N . 50255 1 49 . 1 . 1 30 30 GLU H H 1 8.401 0.00 . 1 . . . . . 30 GLU H . 50255 1 50 . 1 . 1 30 30 GLU N N 15 117.742 0.00 . 1 . . . . . 30 GLU N . 50255 1 51 . 1 . 1 31 31 GLN H H 1 6.928 0.00 . 1 . . . . . 31 GLN H . 50255 1 52 . 1 . 1 31 31 GLN N N 15 117.022 0.00 . 1 . . . . . 31 GLN N . 50255 1 53 . 1 . 1 32 32 TRP H H 1 7.610 0.00 . 1 . . . . . 32 TRP H . 50255 1 54 . 1 . 1 32 32 TRP N N 15 115.934 0.00 . 1 . . . . . 32 TRP N . 50255 1 55 . 1 . 1 33 33 GLY H H 1 7.337 0.00 . 1 . . . . . 33 GLY H . 50255 1 56 . 1 . 1 33 33 GLY N N 15 105.261 0.00 . 1 . . . . . 33 GLY N . 50255 1 57 . 1 . 1 34 34 LYS H H 1 8.332 0.00 . 1 . . . . . 34 LYS H . 50255 1 58 . 1 . 1 34 34 LYS N N 15 119.739 0.00 . 1 . . . . . 34 LYS N . 50255 1 59 . 1 . 1 35 35 LEU H H 1 8.958 0.00 . 1 . . . . . 35 LEU H . 50255 1 60 . 1 . 1 35 35 LEU N N 15 124.316 0.00 . 1 . . . . . 35 LEU N . 50255 1 61 . 1 . 1 36 36 THR H H 1 9.009 0.00 . 1 . . . . . 36 THR H . 50255 1 62 . 1 . 1 36 36 THR N N 15 114.996 0.00 . 1 . . . . . 36 THR N . 50255 1 63 . 1 . 1 37 37 ASP H H 1 7.572 0.00 . 1 . . . . . 37 ASP H . 50255 1 64 . 1 . 1 37 37 ASP N N 15 119.006 0.00 . 1 . . . . . 37 ASP N . 50255 1 65 . 1 . 1 38 38 CYS H H 1 8.336 0.00 . 1 . . . . . 38 CYS H . 50255 1 66 . 1 . 1 38 38 CYS N N 15 122.622 0.00 . 1 . . . . . 38 CYS N . 50255 1 67 . 1 . 1 39 39 VAL H H 1 8.795 0.00 . 1 . . . . . 39 VAL H . 50255 1 68 . 1 . 1 39 39 VAL N N 15 127.198 0.00 . 1 . . . . . 39 VAL N . 50255 1 69 . 1 . 1 40 40 VAL H H 1 8.217 0.00 . 1 . . . . . 40 VAL H . 50255 1 70 . 1 . 1 40 40 VAL N N 15 125.411 0.00 . 1 . . . . . 40 VAL N . 50255 1 71 . 1 . 1 41 41 MET H H 1 8.407 0.00 . 1 . . . . . 41 MET H . 50255 1 72 . 1 . 1 41 41 MET N N 15 126.256 0.00 . 1 . . . . . 41 MET N . 50255 1 73 . 1 . 1 42 42 ARG H H 1 8.352 0.00 . 1 . . . . . 42 ARG H . 50255 1 74 . 1 . 1 42 42 ARG N N 15 120.881 0.00 . 1 . . . . . 42 ARG N . 50255 1 75 . 1 . 1 43 43 ASP H H 1 8.676 0.00 . 1 . . . . . 43 ASP H . 50255 1 76 . 1 . 1 43 43 ASP N N 15 124.762 0.00 . 1 . . . . . 43 ASP N . 50255 1 77 . 1 . 1 45 45 ALA H H 1 8.116 0.00 . 1 . . . . . 45 ALA H . 50255 1 78 . 1 . 1 45 45 ALA N N 15 119.305 0.00 . 1 . . . . . 45 ALA N . 50255 1 79 . 1 . 1 46 46 SER H H 1 8.119 0.00 . 1 . . . . . 46 SER H . 50255 1 80 . 1 . 1 46 46 SER N N 15 111.960 0.00 . 1 . . . . . 46 SER N . 50255 1 81 . 1 . 1 47 47 LYS H H 1 8.229 0.00 . 1 . . . . . 47 LYS H . 50255 1 82 . 1 . 1 47 47 LYS N N 15 116.596 0.00 . 1 . . . . . 47 LYS N . 50255 1 83 . 1 . 1 48 48 ARG H H 1 7.932 0.00 . 1 . . . . . 48 ARG H . 50255 1 84 . 1 . 1 48 48 ARG N N 15 120.361 0.00 . 1 . . . . . 48 ARG N . 50255 1 85 . 1 . 1 49 49 SER H H 1 8.786 0.00 . 1 . . . . . 49 SER H . 50255 1 86 . 1 . 1 49 49 SER N N 15 116.799 0.00 . 1 . . . . . 49 SER N . 50255 1 87 . 1 . 1 50 50 ARG H H 1 8.993 0.00 . 1 . . . . . 50 ARG H . 50255 1 88 . 1 . 1 50 50 ARG N N 15 123.105 0.00 . 1 . . . . . 50 ARG N . 50255 1 89 . 1 . 1 51 51 GLY H H 1 9.433 0.00 . 1 . . . . . 51 GLY H . 50255 1 90 . 1 . 1 51 51 GLY N N 15 107.516 0.00 . 1 . . . . . 51 GLY N . 50255 1 91 . 1 . 1 52 52 PHE H H 1 7.120 0.00 . 1 . . . . . 52 PHE H . 50255 1 92 . 1 . 1 52 52 PHE N N 15 112.595 0.00 . 1 . . . . . 52 PHE N . 50255 1 93 . 1 . 1 53 53 GLY H H 1 8.425 0.00 . 1 . . . . . 53 GLY H . 50255 1 94 . 1 . 1 53 53 GLY N N 15 106.888 0.00 . 1 . . . . . 53 GLY N . 50255 1 95 . 1 . 1 54 54 PHE H H 1 9.047 0.00 . 1 . . . . . 54 PHE H . 50255 1 96 . 1 . 1 54 54 PHE N N 15 115.430 0.00 . 1 . . . . . 54 PHE N . 50255 1 97 . 1 . 1 55 55 VAL H H 1 8.744 0.00 . 1 . . . . . 55 VAL H . 50255 1 98 . 1 . 1 55 55 VAL N N 15 114.568 0.00 . 1 . . . . . 55 VAL N . 50255 1 99 . 1 . 1 56 56 THR H H 1 8.117 0.00 . 1 . . . . . 56 THR H . 50255 1 100 . 1 . 1 56 56 THR N N 15 119.517 0.00 . 1 . . . . . 56 THR N . 50255 1 101 . 1 . 1 57 57 PHE H H 1 8.856 0.00 . 1 . . . . . 57 PHE H . 50255 1 102 . 1 . 1 57 57 PHE N N 15 125.577 0.00 . 1 . . . . . 57 PHE N . 50255 1 103 . 1 . 1 58 58 SER H H 1 9.173 0.00 . 1 . . . . . 58 SER H . 50255 1 104 . 1 . 1 58 58 SER N N 15 116.929 0.00 . 1 . . . . . 58 SER N . 50255 1 105 . 1 . 1 59 59 SER H H 1 8.132 0.00 . 1 . . . . . 59 SER H . 50255 1 106 . 1 . 1 59 59 SER N N 15 114.379 0.00 . 1 . . . . . 59 SER N . 50255 1 107 . 1 . 1 60 60 MET H H 1 9.490 0.00 . 1 . . . . . 60 MET H . 50255 1 108 . 1 . 1 60 60 MET N N 15 123.979 0.00 . 1 . . . . . 60 MET N . 50255 1 109 . 1 . 1 61 61 ALA H H 1 8.447 0.00 . 1 . . . . . 61 ALA H . 50255 1 110 . 1 . 1 61 61 ALA N N 15 121.242 0.00 . 1 . . . . . 61 ALA N . 50255 1 111 . 1 . 1 62 62 GLU H H 1 7.345 0.00 . 1 . . . . . 62 GLU H . 50255 1 112 . 1 . 1 62 62 GLU N N 15 119.012 0.00 . 1 . . . . . 62 GLU N . 50255 1 113 . 1 . 1 63 63 VAL H H 1 6.713 0.00 . 1 . . . . . 63 VAL H . 50255 1 114 . 1 . 1 63 63 VAL N N 15 117.834 0.00 . 1 . . . . . 63 VAL N . 50255 1 115 . 1 . 1 64 64 ASP H H 1 8.161 0.00 . 1 . . . . . 64 ASP H . 50255 1 116 . 1 . 1 64 64 ASP N N 15 118.717 0.00 . 1 . . . . . 64 ASP N . 50255 1 117 . 1 . 1 65 65 ALA H H 1 7.688 0.00 . 1 . . . . . 65 ALA H . 50255 1 118 . 1 . 1 65 65 ALA N N 15 123.806 0.00 . 1 . . . . . 65 ALA N . 50255 1 119 . 1 . 1 66 66 ALA H H 1 7.746 0.00 . 1 . . . . . 66 ALA H . 50255 1 120 . 1 . 1 66 66 ALA N N 15 120.861 0.00 . 1 . . . . . 66 ALA N . 50255 1 121 . 1 . 1 67 67 MET H H 1 8.557 0.00 . 1 . . . . . 67 MET H . 50255 1 122 . 1 . 1 67 67 MET N N 15 115.764 0.00 . 1 . . . . . 67 MET N . 50255 1 123 . 1 . 1 68 68 ALA H H 1 7.777 0.00 . 1 . . . . . 68 ALA H . 50255 1 124 . 1 . 1 68 68 ALA N N 15 123.051 0.00 . 1 . . . . . 68 ALA N . 50255 1 125 . 1 . 1 69 69 ALA H H 1 7.044 0.00 . 1 . . . . . 69 ALA H . 50255 1 126 . 1 . 1 69 69 ALA N N 15 120.860 0.00 . 1 . . . . . 69 ALA N . 50255 1 127 . 1 . 1 70 70 ARG H H 1 6.558 0.00 . 1 . . . . . 70 ARG H . 50255 1 128 . 1 . 1 70 70 ARG N N 15 118.581 0.00 . 1 . . . . . 70 ARG N . 50255 1 129 . 1 . 1 72 72 HIS H H 1 9.467 0.00 . 1 . . . . . 72 HIS H . 50255 1 130 . 1 . 1 72 72 HIS N N 15 124.049 0.00 . 1 . . . . . 72 HIS N . 50255 1 131 . 1 . 1 73 73 SER H H 1 7.527 0.00 . 1 . . . . . 73 SER H . 50255 1 132 . 1 . 1 73 73 SER N N 15 116.540 0.00 . 1 . . . . . 73 SER N . 50255 1 133 . 1 . 1 74 74 ILE H H 1 8.395 0.00 . 1 . . . . . 74 ILE H . 50255 1 134 . 1 . 1 74 74 ILE N N 15 123.061 0.00 . 1 . . . . . 74 ILE N . 50255 1 135 . 1 . 1 75 75 ASP H H 1 9.311 0.00 . 1 . . . . . 75 ASP H . 50255 1 136 . 1 . 1 75 75 ASP N N 15 127.407 0.00 . 1 . . . . . 75 ASP N . 50255 1 137 . 1 . 1 76 76 GLY H H 1 8.502 0.00 . 1 . . . . . 76 GLY H . 50255 1 138 . 1 . 1 76 76 GLY N N 15 102.364 0.00 . 1 . . . . . 76 GLY N . 50255 1 139 . 1 . 1 77 77 ARG H H 1 7.504 0.00 . 1 . . . . . 77 ARG H . 50255 1 140 . 1 . 1 77 77 ARG N N 15 119.830 0.00 . 1 . . . . . 77 ARG N . 50255 1 141 . 1 . 1 78 78 VAL H H 1 8.368 0.00 . 1 . . . . . 78 VAL H . 50255 1 142 . 1 . 1 78 78 VAL N N 15 124.043 0.00 . 1 . . . . . 78 VAL N . 50255 1 143 . 1 . 1 79 79 VAL H H 1 8.143 0.00 . 1 . . . . . 79 VAL H . 50255 1 144 . 1 . 1 79 79 VAL N N 15 122.993 0.00 . 1 . . . . . 79 VAL N . 50255 1 145 . 1 . 1 80 80 GLU H H 1 8.546 0.00 . 1 . . . . . 80 GLU H . 50255 1 146 . 1 . 1 80 80 GLU N N 15 119.639 0.00 . 1 . . . . . 80 GLU N . 50255 1 147 . 1 . 1 82 82 LYS H H 1 9.554 0.00 . 1 . . . . . 82 LYS H . 50255 1 148 . 1 . 1 82 82 LYS N N 15 120.529 0.00 . 1 . . . . . 82 LYS N . 50255 1 149 . 1 . 1 84 84 ALA H H 1 8.186 0.00 . 1 . . . . . 84 ALA H . 50255 1 150 . 1 . 1 84 84 ALA N N 15 125.360 0.00 . 1 . . . . . 84 ALA N . 50255 1 151 . 1 . 1 85 85 VAL H H 1 7.734 0.00 . 1 . . . . . 85 VAL H . 50255 1 152 . 1 . 1 85 85 VAL N N 15 115.799 0.00 . 1 . . . . . 85 VAL N . 50255 1 153 . 1 . 1 86 86 ALA H H 1 8.247 0.00 . 1 . . . . . 86 ALA H . 50255 1 154 . 1 . 1 86 86 ALA N N 15 126.833 0.00 . 1 . . . . . 86 ALA N . 50255 1 155 . 1 . 1 87 87 ARG H H 1 8.377 0.00 . 1 . . . . . 87 ARG H . 50255 1 156 . 1 . 1 87 87 ARG N N 15 121.181 0.00 . 1 . . . . . 87 ARG N . 50255 1 157 . 1 . 1 88 88 GLU H H 1 8.210 0.00 . 1 . . . . . 88 GLU H . 50255 1 158 . 1 . 1 88 88 GLU N N 15 120.927 0.00 . 1 . . . . . 88 GLU N . 50255 1 159 . 1 . 1 89 89 GLU H H 1 8.327 0.00 . 1 . . . . . 89 GLU H . 50255 1 160 . 1 . 1 89 89 GLU N N 15 121.427 0.00 . 1 . . . . . 89 GLU N . 50255 1 161 . 1 . 1 90 90 SER H H 1 8.155 0.00 . 1 . . . . . 90 SER H . 50255 1 162 . 1 . 1 90 90 SER N N 15 116.074 0.00 . 1 . . . . . 90 SER N . 50255 1 163 . 1 . 1 91 91 GLY H H 1 8.505 0.00 . 1 . . . . . 91 GLY H . 50255 1 164 . 1 . 1 91 91 GLY N N 15 110.778 0.00 . 1 . . . . . 91 GLY N . 50255 1 165 . 1 . 1 92 92 LYS H H 1 7.861 0.00 . 1 . . . . . 92 LYS H . 50255 1 166 . 1 . 1 92 92 LYS N N 15 121.577 0.00 . 1 . . . . . 92 LYS N . 50255 1 167 . 1 . 1 94 94 GLY H H 1 8.490 0.00 . 1 . . . . . 94 GLY H . 50255 1 168 . 1 . 1 94 94 GLY N N 15 109.467 0.00 . 1 . . . . . 94 GLY N . 50255 1 169 . 1 . 1 95 95 ALA H H 1 7.909 0.00 . 1 . . . . . 95 ALA H . 50255 1 170 . 1 . 1 95 95 ALA N N 15 122.938 0.00 . 1 . . . . . 95 ALA N . 50255 1 171 . 1 . 1 96 96 HIS H H 1 8.261 0.00 . 1 . . . . . 96 HIS H . 50255 1 172 . 1 . 1 96 96 HIS N N 15 117.143 0.00 . 1 . . . . . 96 HIS N . 50255 1 173 . 1 . 1 97 97 VAL H H 1 7.680 0.00 . 1 . . . . . 97 VAL H . 50255 1 174 . 1 . 1 97 97 VAL N N 15 121.062 0.00 . 1 . . . . . 97 VAL N . 50255 1 175 . 1 . 1 98 98 THR H H 1 8.355 0.00 . 1 . . . . . 98 THR H . 50255 1 176 . 1 . 1 98 98 THR N N 15 120.054 0.00 . 1 . . . . . 98 THR N . 50255 1 177 . 1 . 1 99 99 VAL H H 1 8.499 0.00 . 1 . . . . . 99 VAL H . 50255 1 178 . 1 . 1 99 99 VAL N N 15 121.679 0.00 . 1 . . . . . 99 VAL N . 50255 1 179 . 1 . 1 100 100 LYS H H 1 8.560 0.00 . 1 . . . . . 100 LYS H . 50255 1 180 . 1 . 1 100 100 LYS N N 15 120.432 0.00 . 1 . . . . . 100 LYS N . 50255 1 181 . 1 . 1 102 102 LEU H H 1 9.391 0.00 . 1 . . . . . 102 LEU H . 50255 1 182 . 1 . 1 102 102 LEU N N 15 127.519 0.00 . 1 . . . . . 102 LEU N . 50255 1 183 . 1 . 1 103 103 PHE H H 1 9.239 0.00 . 1 . . . . . 103 PHE H . 50255 1 184 . 1 . 1 103 103 PHE N N 15 126.787 0.00 . 1 . . . . . 103 PHE N . 50255 1 185 . 1 . 1 104 104 VAL H H 1 8.018 0.00 . 1 . . . . . 104 VAL H . 50255 1 186 . 1 . 1 104 104 VAL N N 15 127.266 0.00 . 1 . . . . . 104 VAL N . 50255 1 187 . 1 . 1 105 105 GLY H H 1 9.162 0.00 . 1 . . . . . 105 GLY H . 50255 1 188 . 1 . 1 105 105 GLY N N 15 113.034 0.00 . 1 . . . . . 105 GLY N . 50255 1 189 . 1 . 1 106 106 GLY H H 1 8.449 0.00 . 1 . . . . . 106 GLY H . 50255 1 190 . 1 . 1 106 106 GLY N N 15 106.903 0.00 . 1 . . . . . 106 GLY N . 50255 1 191 . 1 . 1 110 110 ASP H H 1 8.229 0.00 . 1 . . . . . 110 ASP H . 50255 1 192 . 1 . 1 110 110 ASP N N 15 117.046 0.00 . 1 . . . . . 110 ASP N . 50255 1 193 . 1 . 1 112 112 GLU H H 1 11.279 0.00 . 1 . . . . . 112 GLU H . 50255 1 194 . 1 . 1 112 112 GLU N N 15 130.227 0.00 . 1 . . . . . 112 GLU N . 50255 1 195 . 1 . 1 113 113 GLU H H 1 9.456 0.00 . 1 . . . . . 113 GLU H . 50255 1 196 . 1 . 1 113 113 GLU N N 15 121.945 0.00 . 1 . . . . . 113 GLU N . 50255 1 197 . 1 . 1 114 114 HIS H H 1 8.165 0.00 . 1 . . . . . 114 HIS H . 50255 1 198 . 1 . 1 114 114 HIS N N 15 113.469 0.00 . 1 . . . . . 114 HIS N . 50255 1 199 . 1 . 1 115 115 HIS H H 1 6.595 0.00 . 1 . . . . . 115 HIS H . 50255 1 200 . 1 . 1 115 115 HIS N N 15 118.097 0.00 . 1 . . . . . 115 HIS N . 50255 1 201 . 1 . 1 116 116 LEU H H 1 7.179 0.00 . 1 . . . . . 116 LEU H . 50255 1 202 . 1 . 1 116 116 LEU N N 15 116.587 0.00 . 1 . . . . . 116 LEU N . 50255 1 203 . 1 . 1 117 117 ARG H H 1 8.635 0.00 . 1 . . . . . 117 ARG H . 50255 1 204 . 1 . 1 117 117 ARG N N 15 121.837 0.00 . 1 . . . . . 117 ARG N . 50255 1 205 . 1 . 1 118 118 ASP H H 1 8.353 0.00 . 1 . . . . . 118 ASP H . 50255 1 206 . 1 . 1 118 118 ASP N N 15 116.098 0.00 . 1 . . . . . 118 ASP N . 50255 1 207 . 1 . 1 119 119 TYR H H 1 7.324 0.00 . 1 . . . . . 119 TYR H . 50255 1 208 . 1 . 1 119 119 TYR N N 15 116.421 0.00 . 1 . . . . . 119 TYR N . 50255 1 209 . 1 . 1 120 120 PHE H H 1 8.584 0.00 . 1 . . . . . 120 PHE H . 50255 1 210 . 1 . 1 120 120 PHE N N 15 112.662 0.00 . 1 . . . . . 120 PHE N . 50255 1 211 . 1 . 1 121 121 GLU H H 1 8.790 0.00 . 1 . . . . . 121 GLU H . 50255 1 212 . 1 . 1 121 121 GLU N N 15 121.306 0.00 . 1 . . . . . 121 GLU N . 50255 1 213 . 1 . 1 122 122 GLU H H 1 7.267 0.00 . 1 . . . . . 122 GLU H . 50255 1 214 . 1 . 1 122 122 GLU N N 15 115.765 0.00 . 1 . . . . . 122 GLU N . 50255 1 215 . 1 . 1 123 123 TYR H H 1 8.142 0.00 . 1 . . . . . 123 TYR H . 50255 1 216 . 1 . 1 123 123 TYR N N 15 115.324 0.00 . 1 . . . . . 123 TYR N . 50255 1 217 . 1 . 1 124 124 GLY H H 1 7.587 0.00 . 1 . . . . . 124 GLY H . 50255 1 218 . 1 . 1 124 124 GLY N N 15 105.621 0.00 . 1 . . . . . 124 GLY N . 50255 1 219 . 1 . 1 125 125 LYS H H 1 8.331 0.00 . 1 . . . . . 125 LYS H . 50255 1 220 . 1 . 1 125 125 LYS N N 15 118.433 0.00 . 1 . . . . . 125 LYS N . 50255 1 221 . 1 . 1 126 126 ILE H H 1 8.750 0.00 . 1 . . . . . 126 ILE H . 50255 1 222 . 1 . 1 126 126 ILE N N 15 128.183 0.00 . 1 . . . . . 126 ILE N . 50255 1 223 . 1 . 1 127 127 ASP H H 1 9.143 0.00 . 1 . . . . . 127 ASP H . 50255 1 224 . 1 . 1 127 127 ASP N N 15 128.581 0.00 . 1 . . . . . 127 ASP N . 50255 1 225 . 1 . 1 128 128 THR H H 1 7.402 0.00 . 1 . . . . . 128 THR H . 50255 1 226 . 1 . 1 128 128 THR N N 15 108.735 0.00 . 1 . . . . . 128 THR N . 50255 1 227 . 1 . 1 129 129 ILE H H 1 8.436 0.00 . 1 . . . . . 129 ILE H . 50255 1 228 . 1 . 1 129 129 ILE N N 15 123.004 0.00 . 1 . . . . . 129 ILE N . 50255 1 229 . 1 . 1 130 130 GLU H H 1 8.973 0.00 . 1 . . . . . 130 GLU H . 50255 1 230 . 1 . 1 130 130 GLU N N 15 126.907 0.00 . 1 . . . . . 130 GLU N . 50255 1 231 . 1 . 1 131 131 ILE H H 1 8.872 0.00 . 1 . . . . . 131 ILE H . 50255 1 232 . 1 . 1 131 131 ILE N N 15 126.156 0.00 . 1 . . . . . 131 ILE N . 50255 1 233 . 1 . 1 132 132 ILE H H 1 7.778 0.00 . 1 . . . . . 132 ILE H . 50255 1 234 . 1 . 1 132 132 ILE N N 15 127.788 0.00 . 1 . . . . . 132 ILE N . 50255 1 235 . 1 . 1 133 133 THR H H 1 8.383 0.00 . 1 . . . . . 133 THR H . 50255 1 236 . 1 . 1 133 133 THR N N 15 119.827 0.00 . 1 . . . . . 133 THR N . 50255 1 237 . 1 . 1 134 134 ASP H H 1 8.827 0.00 . 1 . . . . . 134 ASP H . 50255 1 238 . 1 . 1 134 134 ASP N N 15 123.552 0.00 . 1 . . . . . 134 ASP N . 50255 1 239 . 1 . 1 135 135 ARG H H 1 8.978 0.00 . 1 . . . . . 135 ARG H . 50255 1 240 . 1 . 1 135 135 ARG N N 15 127.794 0.00 . 1 . . . . . 135 ARG N . 50255 1 241 . 1 . 1 136 136 GLN H H 1 8.460 0.00 . 1 . . . . . 136 GLN H . 50255 1 242 . 1 . 1 136 136 GLN N N 15 117.189 0.00 . 1 . . . . . 136 GLN N . 50255 1 243 . 1 . 1 137 137 SER H H 1 8.267 0.00 . 1 . . . . . 137 SER H . 50255 1 244 . 1 . 1 137 137 SER N N 15 112.427 0.00 . 1 . . . . . 137 SER N . 50255 1 245 . 1 . 1 138 138 GLY H H 1 8.287 0.00 . 1 . . . . . 138 GLY H . 50255 1 246 . 1 . 1 138 138 GLY N N 15 112.418 0.00 . 1 . . . . . 138 GLY N . 50255 1 247 . 1 . 1 139 139 LYS H H 1 7.760 0.00 . 1 . . . . . 139 LYS H . 50255 1 248 . 1 . 1 139 139 LYS N N 15 119.912 0.00 . 1 . . . . . 139 LYS N . 50255 1 249 . 1 . 1 140 140 LYS H H 1 8.937 0.00 . 1 . . . . . 140 LYS H . 50255 1 250 . 1 . 1 140 140 LYS N N 15 124.459 0.00 . 1 . . . . . 140 LYS N . 50255 1 251 . 1 . 1 142 142 GLY H H 1 9.131 0.00 . 1 . . . . . 142 GLY H . 50255 1 252 . 1 . 1 142 142 GLY N N 15 109.279 0.00 . 1 . . . . . 142 GLY N . 50255 1 253 . 1 . 1 143 143 PHE H H 1 7.334 0.00 . 1 . . . . . 143 PHE H . 50255 1 254 . 1 . 1 143 143 PHE N N 15 113.596 0.00 . 1 . . . . . 143 PHE N . 50255 1 255 . 1 . 1 144 144 GLY H H 1 8.676 0.00 . 1 . . . . . 144 GLY H . 50255 1 256 . 1 . 1 144 144 GLY N N 15 106.373 0.00 . 1 . . . . . 144 GLY N . 50255 1 257 . 1 . 1 145 145 PHE H H 1 8.974 0.00 . 1 . . . . . 145 PHE H . 50255 1 258 . 1 . 1 145 145 PHE N N 15 113.496 0.00 . 1 . . . . . 145 PHE N . 50255 1 259 . 1 . 1 147 147 THR H H 1 8.940 0.00 . 1 . . . . . 147 THR H . 50255 1 260 . 1 . 1 147 147 THR N N 15 123.077 0.00 . 1 . . . . . 147 THR N . 50255 1 261 . 1 . 1 148 148 PHE H H 1 9.076 0.00 . 1 . . . . . 148 PHE H . 50255 1 262 . 1 . 1 148 148 PHE N N 15 127.222 0.00 . 1 . . . . . 148 PHE N . 50255 1 263 . 1 . 1 149 149 ASP H H 1 8.246 0.00 . 1 . . . . . 149 ASP H . 50255 1 264 . 1 . 1 149 149 ASP N N 15 118.855 0.00 . 1 . . . . . 149 ASP N . 50255 1 265 . 1 . 1 150 150 ASP H H 1 7.940 0.00 . 1 . . . . . 150 ASP H . 50255 1 266 . 1 . 1 150 150 ASP N N 15 117.654 0.00 . 1 . . . . . 150 ASP N . 50255 1 267 . 1 . 1 151 151 HIS H H 1 8.003 0.00 . 1 . . . . . 151 HIS H . 50255 1 268 . 1 . 1 151 151 HIS N N 15 116.320 0.00 . 1 . . . . . 151 HIS N . 50255 1 269 . 1 . 1 152 152 ASP H H 1 7.909 0.00 . 1 . . . . . 152 ASP H . 50255 1 270 . 1 . 1 152 152 ASP N N 15 122.645 0.00 . 1 . . . . . 152 ASP N . 50255 1 271 . 1 . 1 155 155 ASP H H 1 7.550 0.00 . 1 . . . . . 155 ASP H . 50255 1 272 . 1 . 1 155 155 ASP N N 15 117.863 0.00 . 1 . . . . . 155 ASP N . 50255 1 273 . 1 . 1 157 157 ILE H H 1 8.410 0.00 . 1 . . . . . 157 ILE H . 50255 1 274 . 1 . 1 157 157 ILE N N 15 121.331 0.00 . 1 . . . . . 157 ILE N . 50255 1 275 . 1 . 1 158 158 VAL H H 1 7.968 0.00 . 1 . . . . . 158 VAL H . 50255 1 276 . 1 . 1 158 158 VAL N N 15 112.294 0.00 . 1 . . . . . 158 VAL N . 50255 1 277 . 1 . 1 159 159 LEU H H 1 7.445 0.00 . 1 . . . . . 159 LEU H . 50255 1 278 . 1 . 1 159 159 LEU N N 15 121.545 0.00 . 1 . . . . . 159 LEU N . 50255 1 279 . 1 . 1 160 160 GLN H H 1 7.723 0.00 . 1 . . . . . 160 GLN H . 50255 1 280 . 1 . 1 160 160 GLN N N 15 118.281 0.00 . 1 . . . . . 160 GLN N . 50255 1 281 . 1 . 1 163 163 HIS H H 1 8.931 0.00 . 1 . . . . . 163 HIS H . 50255 1 282 . 1 . 1 163 163 HIS N N 15 123.385 0.00 . 1 . . . . . 163 HIS N . 50255 1 283 . 1 . 1 164 164 THR H H 1 8.802 0.00 . 1 . . . . . 164 THR H . 50255 1 284 . 1 . 1 164 164 THR N N 15 121.799 0.00 . 1 . . . . . 164 THR N . 50255 1 285 . 1 . 1 165 165 ILE H H 1 8.400 0.00 . 1 . . . . . 165 ILE H . 50255 1 286 . 1 . 1 165 165 ILE N N 15 125.567 0.00 . 1 . . . . . 165 ILE N . 50255 1 287 . 1 . 1 166 166 ASN H H 1 9.561 0.00 . 1 . . . . . 166 ASN H . 50255 1 288 . 1 . 1 166 166 ASN N N 15 127.087 0.00 . 1 . . . . . 166 ASN N . 50255 1 289 . 1 . 1 167 167 GLY H H 1 8.182 0.00 . 1 . . . . . 167 GLY H . 50255 1 290 . 1 . 1 167 167 GLY N N 15 100.369 0.00 . 1 . . . . . 167 GLY N . 50255 1 291 . 1 . 1 168 168 HIS H H 1 7.739 0.00 . 1 . . . . . 168 HIS H . 50255 1 292 . 1 . 1 168 168 HIS N N 15 119.035 0.00 . 1 . . . . . 168 HIS N . 50255 1 293 . 1 . 1 170 170 ALA H H 1 8.818 0.00 . 1 . . . . . 170 ALA H . 50255 1 294 . 1 . 1 170 170 ALA N N 15 131.160 0.00 . 1 . . . . . 170 ALA N . 50255 1 295 . 1 . 1 171 171 GLU H H 1 8.136 0.00 . 1 . . . . . 171 GLU H . 50255 1 296 . 1 . 1 171 171 GLU N N 15 122.501 0.00 . 1 . . . . . 171 GLU N . 50255 1 297 . 1 . 1 172 172 VAL H H 1 8.508 0.00 . 1 . . . . . 172 VAL H . 50255 1 298 . 1 . 1 172 172 VAL N N 15 118.879 0.00 . 1 . . . . . 172 VAL N . 50255 1 299 . 1 . 1 173 173 ARG H H 1 8.753 0.00 . 1 . . . . . 173 ARG H . 50255 1 300 . 1 . 1 173 173 ARG N N 15 118.413 0.00 . 1 . . . . . 173 ARG N . 50255 1 301 . 1 . 1 174 174 LYS H H 1 8.958 0.00 . 1 . . . . . 174 LYS H . 50255 1 302 . 1 . 1 174 174 LYS N N 15 121.713 0.00 . 1 . . . . . 174 LYS N . 50255 1 303 . 1 . 1 175 175 ALA H H 1 8.351 0.00 . 1 . . . . . 175 ALA H . 50255 1 304 . 1 . 1 175 175 ALA N N 15 126.816 0.00 . 1 . . . . . 175 ALA N . 50255 1 305 . 1 . 1 176 176 LEU H H 1 7.974 0.00 . 1 . . . . . 176 LEU H . 50255 1 306 . 1 . 1 176 176 LEU N N 15 122.619 0.00 . 1 . . . . . 176 LEU N . 50255 1 307 . 1 . 1 177 177 SER H H 1 8.615 0.00 . 1 . . . . . 177 SER H . 50255 1 308 . 1 . 1 177 177 SER N N 15 117.175 0.00 . 1 . . . . . 177 SER N . 50255 1 309 . 1 . 1 179 179 GLN H H 1 8.416 0.00 . 1 . . . . . 179 GLN H . 50255 1 310 . 1 . 1 179 179 GLN N N 15 120.517 0.00 . 1 . . . . . 179 GLN N . 50255 1 311 . 1 . 1 180 180 GLU H H 1 8.431 0.00 . 1 . . . . . 180 GLU H . 50255 1 312 . 1 . 1 180 180 GLU N N 15 121.799 0.00 . 1 . . . . . 180 GLU N . 50255 1 313 . 1 . 1 182 182 GLN H H 1 8.441 0.00 . 1 . . . . . 182 GLN H . 50255 1 314 . 1 . 1 182 182 GLN N N 15 122.225 0.00 . 1 . . . . . 182 GLN N . 50255 1 315 . 1 . 1 183 183 GLU H H 1 8.606 0.00 . 1 . . . . . 183 GLU H . 50255 1 316 . 1 . 1 183 183 GLU N N 15 121.288 0.00 . 1 . . . . . 183 GLU N . 50255 1 317 . 1 . 1 184 184 VAL H H 1 8.032 0.00 . 1 . . . . . 184 VAL H . 50255 1 318 . 1 . 1 184 184 VAL N N 15 120.417 0.00 . 1 . . . . . 184 VAL N . 50255 1 319 . 1 . 1 185 185 GLN H H 1 8.338 0.00 . 1 . . . . . 185 GLN H . 50255 1 320 . 1 . 1 185 185 GLN N N 15 123.342 0.00 . 1 . . . . . 185 GLN N . 50255 1 321 . 1 . 1 186 186 SER H H 1 8.257 0.00 . 1 . . . . . 186 SER H . 50255 1 322 . 1 . 1 186 186 SER N N 15 116.955 0.00 . 1 . . . . . 186 SER N . 50255 1 323 . 1 . 1 187 187 SER H H 1 8.256 0.00 . 1 . . . . . 187 SER H . 50255 1 324 . 1 . 1 187 187 SER N N 15 117.922 0.00 . 1 . . . . . 187 SER N . 50255 1 325 . 1 . 1 188 188 ARG H H 1 8.272 0.00 . 1 . . . . . 188 ARG H . 50255 1 326 . 1 . 1 188 188 ARG N N 15 123.002 0.00 . 1 . . . . . 188 ARG N . 50255 1 327 . 1 . 1 189 189 SER H H 1 7.926 0.00 . 1 . . . . . 189 SER H . 50255 1 328 . 1 . 1 189 189 SER N N 15 122.585 0.00 . 1 . . . . . 189 SER N . 50255 1 stop_ save_