################################### # 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 50827 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name S221C_YM4A_Lu _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 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.005 _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 'Backbone amide NH assignments of the S221C YM4A mutant tagged with the diamagnetic tag Lu-4R4S-DOTA-M8.' _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' . . . 50827 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 . . 50827 1 2 $software_2 . . 50827 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 3 3 LEU H H 1 8.856 0.000 . 1 . . . . . 3 LEU H . 50827 1 2 . 1 . 1 3 3 LEU N N 15 121.749 0.000 . 1 . . . . . 3 LEU N . 50827 1 3 . 1 . 1 5 5 GLN H H 1 7.652 0.000 . 1 . . . . . 5 GLN H . 50827 1 4 . 1 . 1 5 5 GLN N N 15 117.203 0.000 . 1 . . . . . 5 GLN N . 50827 1 5 . 1 . 1 6 6 MET H H 1 7.869 0.000 . 1 . . . . . 6 MET H . 50827 1 6 . 1 . 1 6 6 MET N N 15 120.125 0.000 . 1 . . . . . 6 MET N . 50827 1 7 . 1 . 1 7 7 VAL H H 1 7.890 0.000 . 1 . . . . . 7 VAL H . 50827 1 8 . 1 . 1 7 7 VAL N N 15 116.923 0.000 . 1 . . . . . 7 VAL N . 50827 1 9 . 1 . 1 8 8 GLN H H 1 7.744 0.000 . 1 . . . . . 8 GLN H . 50827 1 10 . 1 . 1 8 8 GLN N N 15 119.682 0.000 . 1 . . . . . 8 GLN N . 50827 1 11 . 1 . 1 9 9 GLN H H 1 7.782 0.000 . 1 . . . . . 9 GLN H . 50827 1 12 . 1 . 1 9 9 GLN N N 15 118.755 0.000 . 1 . . . . . 9 GLN N . 50827 1 13 . 1 . 1 10 10 LEU H H 1 7.563 0.000 . 1 . . . . . 10 LEU H . 50827 1 14 . 1 . 1 10 10 LEU N N 15 117.276 0.000 . 1 . . . . . 10 LEU N . 50827 1 15 . 1 . 1 11 11 ASN H H 1 7.438 0.000 . 1 . . . . . 11 ASN H . 50827 1 16 . 1 . 1 11 11 ASN N N 15 113.993 0.000 . 1 . . . . . 11 ASN N . 50827 1 17 . 1 . 1 12 12 SER H H 1 7.239 0.000 . 1 . . . . . 12 SER H . 50827 1 18 . 1 . 1 12 12 SER N N 15 116.419 0.000 . 1 . . . . . 12 SER N . 50827 1 19 . 1 . 1 14 14 ASP H H 1 8.421 0.000 . 1 . . . . . 14 ASP H . 50827 1 20 . 1 . 1 14 14 ASP N N 15 122.300 0.000 . 1 . . . . . 14 ASP N . 50827 1 21 . 1 . 1 15 15 GLN H H 1 8.985 0.000 . 1 . . . . . 15 GLN H . 50827 1 22 . 1 . 1 15 15 GLN N N 15 125.994 0.000 . 1 . . . . . 15 GLN N . 50827 1 23 . 1 . 1 16 16 GLN H H 1 8.312 0.000 . 1 . . . . . 16 GLN H . 50827 1 24 . 1 . 1 16 16 GLN N N 15 118.611 0.000 . 1 . . . . . 16 GLN N . 50827 1 25 . 1 . 1 17 17 GLU H H 1 7.957 0.000 . 1 . . . . . 17 GLU H . 50827 1 26 . 1 . 1 17 17 GLU N N 15 123.114 0.000 . 1 . . . . . 17 GLU N . 50827 1 27 . 1 . 1 18 18 LEU H H 1 8.294 0.000 . 1 . . . . . 18 LEU H . 50827 1 28 . 1 . 1 18 18 LEU N N 15 122.074 0.000 . 1 . . . . . 18 LEU N . 50827 1 29 . 1 . 1 19 19 GLN H H 1 8.376 0.000 . 1 . . . . . 19 GLN H . 50827 1 30 . 1 . 1 19 19 GLN N N 15 116.991 0.000 . 1 . . . . . 19 GLN N . 50827 1 31 . 1 . 1 20 20 SER H H 1 8.020 0.000 . 1 . . . . . 20 SER H . 50827 1 32 . 1 . 1 20 20 SER N N 15 114.168 0.000 . 1 . . . . . 20 SER N . 50827 1 33 . 1 . 1 21 21 ALA H H 1 7.950 0.000 . 1 . . . . . 21 ALA H . 50827 1 34 . 1 . 1 21 21 ALA N N 15 125.352 0.000 . 1 . . . . . 21 ALA N . 50827 1 35 . 1 . 1 22 22 LEU H H 1 8.488 0.000 . 1 . . . . . 22 LEU H . 50827 1 36 . 1 . 1 22 22 LEU N N 15 118.680 0.000 . 1 . . . . . 22 LEU N . 50827 1 37 . 1 . 1 23 23 ARG H H 1 8.130 0.000 . 1 . . . . . 23 ARG H . 50827 1 38 . 1 . 1 23 23 ARG N N 15 118.944 0.000 . 1 . . . . . 23 ARG N . 50827 1 39 . 1 . 1 24 24 LYS H H 1 7.734 0.000 . 1 . . . . . 24 LYS H . 50827 1 40 . 1 . 1 24 24 LYS N N 15 119.786 0.000 . 1 . . . . . 24 LYS N . 50827 1 41 . 1 . 1 25 25 LEU H H 1 8.615 0.000 . 1 . . . . . 25 LEU H . 50827 1 42 . 1 . 1 25 25 LEU N N 15 120.843 0.000 . 1 . . . . . 25 LEU N . 50827 1 43 . 1 . 1 26 26 SER H H 1 8.643 0.000 . 1 . . . . . 26 SER H . 50827 1 44 . 1 . 1 26 26 SER N N 15 115.030 0.000 . 1 . . . . . 26 SER N . 50827 1 45 . 1 . 1 27 27 GLN H H 1 7.778 0.000 . 1 . . . . . 27 GLN H . 50827 1 46 . 1 . 1 27 27 GLN N N 15 120.349 0.000 . 1 . . . . . 27 GLN N . 50827 1 47 . 1 . 1 28 28 ILE H H 1 8.312 0.000 . 1 . . . . . 28 ILE H . 50827 1 48 . 1 . 1 28 28 ILE N N 15 123.093 0.000 . 1 . . . . . 28 ILE N . 50827 1 49 . 1 . 1 29 29 ALA H H 1 8.400 0.000 . 1 . . . . . 29 ALA H . 50827 1 50 . 1 . 1 29 29 ALA N N 15 119.516 0.000 . 1 . . . . . 29 ALA N . 50827 1 51 . 1 . 1 30 30 SER H H 1 7.389 0.000 . 1 . . . . . 30 SER H . 50827 1 52 . 1 . 1 30 30 SER N N 15 110.469 0.000 . 1 . . . . . 30 SER N . 50827 1 53 . 1 . 1 31 31 GLY H H 1 7.979 0.000 . 1 . . . . . 31 GLY H . 50827 1 54 . 1 . 1 31 31 GLY N N 15 108.969 0.000 . 1 . . . . . 31 GLY N . 50827 1 55 . 1 . 1 32 32 GLY H H 1 8.081 0.000 . 1 . . . . . 32 GLY H . 50827 1 56 . 1 . 1 32 32 GLY N N 15 108.693 0.000 . 1 . . . . . 32 GLY N . 50827 1 57 . 1 . 1 35 35 GLN H H 1 7.789 0.000 . 1 . . . . . 35 GLN H . 50827 1 58 . 1 . 1 35 35 GLN N N 15 120.564 0.000 . 1 . . . . . 35 GLN N . 50827 1 59 . 1 . 1 36 36 ILE H H 1 8.197 0.000 . 1 . . . . . 36 ILE H . 50827 1 60 . 1 . 1 36 36 ILE N N 15 119.592 0.000 . 1 . . . . . 36 ILE N . 50827 1 61 . 1 . 1 37 37 GLN H H 1 8.184 0.000 . 1 . . . . . 37 GLN H . 50827 1 62 . 1 . 1 37 37 GLN N N 15 118.875 0.000 . 1 . . . . . 37 GLN N . 50827 1 63 . 1 . 1 38 38 ALA H H 1 7.597 0.000 . 1 . . . . . 38 ALA H . 50827 1 64 . 1 . 1 38 38 ALA N N 15 120.525 0.000 . 1 . . . . . 38 ALA N . 50827 1 65 . 1 . 1 39 39 VAL H H 1 7.728 0.000 . 1 . . . . . 39 VAL H . 50827 1 66 . 1 . 1 39 39 VAL N N 15 118.377 0.000 . 1 . . . . . 39 VAL N . 50827 1 67 . 1 . 1 40 40 ILE H H 1 7.915 0.000 . 1 . . . . . 40 ILE H . 50827 1 68 . 1 . 1 40 40 ILE N N 15 120.189 0.000 . 1 . . . . . 40 ILE N . 50827 1 69 . 1 . 1 41 41 ASP H H 1 9.508 0.000 . 1 . . . . . 41 ASP H . 50827 1 70 . 1 . 1 41 41 ASP N N 15 123.675 0.000 . 1 . . . . . 41 ASP N . 50827 1 71 . 1 . 1 42 42 ALA H H 1 7.524 0.000 . 1 . . . . . 42 ALA H . 50827 1 72 . 1 . 1 42 42 ALA N N 15 119.713 0.000 . 1 . . . . . 42 ALA N . 50827 1 73 . 1 . 1 43 43 GLY H H 1 8.123 0.000 . 1 . . . . . 43 GLY H . 50827 1 74 . 1 . 1 43 43 GLY N N 15 104.455 0.000 . 1 . . . . . 43 GLY N . 50827 1 75 . 1 . 1 44 44 ALA H H 1 7.281 0.000 . 1 . . . . . 44 ALA H . 50827 1 76 . 1 . 1 44 44 ALA N N 15 117.585 0.000 . 1 . . . . . 44 ALA N . 50827 1 77 . 1 . 1 45 45 LEU H H 1 9.215 0.000 . 1 . . . . . 45 LEU H . 50827 1 78 . 1 . 1 45 45 LEU N N 15 113.849 0.000 . 1 . . . . . 45 LEU N . 50827 1 79 . 1 . 1 47 47 ALA H H 1 7.080 0.000 . 1 . . . . . 47 ALA H . 50827 1 80 . 1 . 1 47 47 ALA N N 15 118.893 0.000 . 1 . . . . . 47 ALA N . 50827 1 81 . 1 . 1 48 48 LEU H H 1 8.106 0.000 . 1 . . . . . 48 LEU H . 50827 1 82 . 1 . 1 48 48 LEU N N 15 118.132 0.000 . 1 . . . . . 48 LEU N . 50827 1 83 . 1 . 1 49 49 VAL H H 1 8.409 0.000 . 1 . . . . . 49 VAL H . 50827 1 84 . 1 . 1 49 49 VAL N N 15 115.999 0.000 . 1 . . . . . 49 VAL N . 50827 1 85 . 1 . 1 50 50 GLN H H 1 7.783 0.000 . 1 . . . . . 50 GLN H . 50827 1 86 . 1 . 1 50 50 GLN N N 15 120.435 0.000 . 1 . . . . . 50 GLN N . 50827 1 87 . 1 . 1 51 51 LEU H H 1 7.753 0.000 . 1 . . . . . 51 LEU H . 50827 1 88 . 1 . 1 51 51 LEU N N 15 119.740 0.000 . 1 . . . . . 51 LEU N . 50827 1 89 . 1 . 1 52 52 LEU H H 1 7.495 0.000 . 1 . . . . . 52 LEU H . 50827 1 90 . 1 . 1 52 52 LEU N N 15 116.430 0.000 . 1 . . . . . 52 LEU N . 50827 1 91 . 1 . 1 53 53 SER H H 1 7.468 0.000 . 1 . . . . . 53 SER H . 50827 1 92 . 1 . 1 53 53 SER N N 15 111.131 0.000 . 1 . . . . . 53 SER N . 50827 1 93 . 1 . 1 54 54 SER H H 1 7.595 0.000 . 1 . . . . . 54 SER H . 50827 1 94 . 1 . 1 54 54 SER N N 15 118.742 0.000 . 1 . . . . . 54 SER N . 50827 1 95 . 1 . 1 56 56 ASN H H 1 8.255 0.000 . 1 . . . . . 56 ASN H . 50827 1 96 . 1 . 1 56 56 ASN N N 15 119.994 0.000 . 1 . . . . . 56 ASN N . 50827 1 97 . 1 . 1 57 57 GLU H H 1 9.073 0.000 . 1 . . . . . 57 GLU H . 50827 1 98 . 1 . 1 57 57 GLU N N 15 126.493 0.000 . 1 . . . . . 57 GLU N . 50827 1 99 . 1 . 1 58 58 GLN H H 1 8.074 0.000 . 1 . . . . . 58 GLN H . 50827 1 100 . 1 . 1 58 58 GLN N N 15 118.861 0.000 . 1 . . . . . 58 GLN N . 50827 1 101 . 1 . 1 59 59 ILE H H 1 7.395 0.000 . 1 . . . . . 59 ILE H . 50827 1 102 . 1 . 1 59 59 ILE N N 15 121.278 0.000 . 1 . . . . . 59 ILE N . 50827 1 103 . 1 . 1 60 60 LEU H H 1 8.244 0.000 . 1 . . . . . 60 LEU H . 50827 1 104 . 1 . 1 60 60 LEU N N 15 120.530 0.000 . 1 . . . . . 60 LEU N . 50827 1 105 . 1 . 1 61 61 GLN H H 1 8.060 0.000 . 1 . . . . . 61 GLN H . 50827 1 106 . 1 . 1 61 61 GLN N N 15 115.690 0.000 . 1 . . . . . 61 GLN N . 50827 1 107 . 1 . 1 62 62 GLU H H 1 7.617 0.000 . 1 . . . . . 62 GLU H . 50827 1 108 . 1 . 1 62 62 GLU N N 15 118.742 0.000 . 1 . . . . . 62 GLU N . 50827 1 109 . 1 . 1 63 63 ALA H H 1 8.918 0.000 . 1 . . . . . 63 ALA H . 50827 1 110 . 1 . 1 63 63 ALA N N 15 123.475 0.000 . 1 . . . . . 63 ALA N . 50827 1 111 . 1 . 1 64 64 LEU H H 1 8.595 0.000 . 1 . . . . . 64 LEU H . 50827 1 112 . 1 . 1 64 64 LEU N N 15 118.590 0.000 . 1 . . . . . 64 LEU N . 50827 1 113 . 1 . 1 65 65 TRP H H 1 8.286 0.000 . 1 . . . . . 65 TRP H . 50827 1 114 . 1 . 1 65 65 TRP N N 15 122.113 0.000 . 1 . . . . . 65 TRP N . 50827 1 115 . 1 . 1 66 66 ALA H H 1 8.071 0.000 . 1 . . . . . 66 ALA H . 50827 1 116 . 1 . 1 66 66 ALA N N 15 121.412 0.000 . 1 . . . . . 66 ALA N . 50827 1 117 . 1 . 1 67 67 LEU H H 1 8.527 0.000 . 1 . . . . . 67 LEU H . 50827 1 118 . 1 . 1 67 67 LEU N N 15 117.435 0.000 . 1 . . . . . 67 LEU N . 50827 1 119 . 1 . 1 68 68 SER H H 1 8.848 0.000 . 1 . . . . . 68 SER H . 50827 1 120 . 1 . 1 68 68 SER N N 15 115.450 0.000 . 1 . . . . . 68 SER N . 50827 1 121 . 1 . 1 69 69 ASN H H 1 7.700 0.000 . 1 . . . . . 69 ASN H . 50827 1 122 . 1 . 1 69 69 ASN N N 15 118.766 0.000 . 1 . . . . . 69 ASN N . 50827 1 123 . 1 . 1 70 70 ILE H H 1 8.068 0.000 . 1 . . . . . 70 ILE H . 50827 1 124 . 1 . 1 70 70 ILE N N 15 122.789 0.000 . 1 . . . . . 70 ILE N . 50827 1 125 . 1 . 1 71 71 ALA H H 1 8.140 0.000 . 1 . . . . . 71 ALA H . 50827 1 126 . 1 . 1 71 71 ALA N N 15 117.755 0.000 . 1 . . . . . 71 ALA N . 50827 1 127 . 1 . 1 72 72 SER H H 1 7.306 0.000 . 1 . . . . . 72 SER H . 50827 1 128 . 1 . 1 72 72 SER N N 15 111.514 0.000 . 1 . . . . . 72 SER N . 50827 1 129 . 1 . 1 73 73 GLY H H 1 7.703 0.000 . 1 . . . . . 73 GLY H . 50827 1 130 . 1 . 1 73 73 GLY N N 15 108.902 0.000 . 1 . . . . . 73 GLY N . 50827 1 131 . 1 . 1 74 74 GLY H H 1 7.892 0.000 . 1 . . . . . 74 GLY H . 50827 1 132 . 1 . 1 74 74 GLY N N 15 105.461 0.000 . 1 . . . . . 74 GLY N . 50827 1 133 . 1 . 1 76 76 GLU H H 1 9.302 0.000 . 1 . . . . . 76 GLU H . 50827 1 134 . 1 . 1 76 76 GLU N N 15 118.894 0.000 . 1 . . . . . 76 GLU N . 50827 1 135 . 1 . 1 77 77 GLN H H 1 7.587 0.000 . 1 . . . . . 77 GLN H . 50827 1 136 . 1 . 1 77 77 GLN N N 15 122.126 0.000 . 1 . . . . . 77 GLN N . 50827 1 137 . 1 . 1 78 78 ILE H H 1 8.297 0.000 . 1 . . . . . 78 ILE H . 50827 1 138 . 1 . 1 78 78 ILE N N 15 119.328 0.000 . 1 . . . . . 78 ILE N . 50827 1 139 . 1 . 1 79 79 GLN H H 1 8.264 0.000 . 1 . . . . . 79 GLN H . 50827 1 140 . 1 . 1 79 79 GLN N N 15 118.154 0.000 . 1 . . . . . 79 GLN N . 50827 1 141 . 1 . 1 80 80 ALA H H 1 7.475 0.000 . 1 . . . . . 80 ALA H . 50827 1 142 . 1 . 1 80 80 ALA N N 15 120.618 0.000 . 1 . . . . . 80 ALA N . 50827 1 143 . 1 . 1 81 81 VAL H H 1 7.577 0.000 . 1 . . . . . 81 VAL H . 50827 1 144 . 1 . 1 81 81 VAL N N 15 119.451 0.000 . 1 . . . . . 81 VAL N . 50827 1 145 . 1 . 1 82 82 ILE H H 1 7.924 0.000 . 1 . . . . . 82 ILE H . 50827 1 146 . 1 . 1 82 82 ILE N N 15 120.123 0.000 . 1 . . . . . 82 ILE N . 50827 1 147 . 1 . 1 83 83 ASP H H 1 9.456 0.000 . 1 . . . . . 83 ASP H . 50827 1 148 . 1 . 1 83 83 ASP N N 15 123.618 0.000 . 1 . . . . . 83 ASP N . 50827 1 149 . 1 . 1 84 84 ALA H H 1 7.527 0.000 . 1 . . . . . 84 ALA H . 50827 1 150 . 1 . 1 84 84 ALA N N 15 119.739 0.000 . 1 . . . . . 84 ALA N . 50827 1 151 . 1 . 1 85 85 GLY H H 1 8.116 0.000 . 1 . . . . . 85 GLY H . 50827 1 152 . 1 . 1 85 85 GLY N N 15 104.461 0.000 . 1 . . . . . 85 GLY N . 50827 1 153 . 1 . 1 86 86 ALA H H 1 7.153 0.000 . 1 . . . . . 86 ALA H . 50827 1 154 . 1 . 1 86 86 ALA N N 15 117.137 0.000 . 1 . . . . . 86 ALA N . 50827 1 155 . 1 . 1 87 87 LEU H H 1 9.362 0.000 . 1 . . . . . 87 LEU H . 50827 1 156 . 1 . 1 87 87 LEU N N 15 113.647 0.000 . 1 . . . . . 87 LEU N . 50827 1 157 . 1 . 1 89 89 ALA H H 1 6.806 0.000 . 1 . . . . . 89 ALA H . 50827 1 158 . 1 . 1 89 89 ALA N N 15 118.607 0.000 . 1 . . . . . 89 ALA N . 50827 1 159 . 1 . 1 90 90 LEU H H 1 8.165 0.000 . 1 . . . . . 90 LEU H . 50827 1 160 . 1 . 1 90 90 LEU N N 15 118.143 0.000 . 1 . . . . . 90 LEU N . 50827 1 161 . 1 . 1 91 91 VAL H H 1 8.396 0.000 . 1 . . . . . 91 VAL H . 50827 1 162 . 1 . 1 91 91 VAL N N 15 116.095 0.000 . 1 . . . . . 91 VAL N . 50827 1 163 . 1 . 1 92 92 GLN H H 1 7.573 0.000 . 1 . . . . . 92 GLN H . 50827 1 164 . 1 . 1 92 92 GLN N N 15 118.844 0.000 . 1 . . . . . 92 GLN N . 50827 1 165 . 1 . 1 93 93 LEU H H 1 7.642 0.000 . 1 . . . . . 93 LEU H . 50827 1 166 . 1 . 1 93 93 LEU N N 15 119.367 0.000 . 1 . . . . . 93 LEU N . 50827 1 167 . 1 . 1 95 95 SER H H 1 7.454 0.000 . 1 . . . . . 95 SER H . 50827 1 168 . 1 . 1 95 95 SER N N 15 111.099 0.000 . 1 . . . . . 95 SER N . 50827 1 169 . 1 . 1 98 98 ASN H H 1 8.332 0.000 . 1 . . . . . 98 ASN H . 50827 1 170 . 1 . 1 98 98 ASN N N 15 120.605 0.000 . 1 . . . . . 98 ASN N . 50827 1 171 . 1 . 1 99 99 GLU H H 1 9.010 0.000 . 1 . . . . . 99 GLU H . 50827 1 172 . 1 . 1 99 99 GLU N N 15 126.077 0.000 . 1 . . . . . 99 GLU N . 50827 1 173 . 1 . 1 100 100 GLN H H 1 8.114 0.000 . 1 . . . . . 100 GLN H . 50827 1 174 . 1 . 1 100 100 GLN N N 15 118.964 0.000 . 1 . . . . . 100 GLN N . 50827 1 175 . 1 . 1 101 101 ILE H H 1 7.390 0.000 . 1 . . . . . 101 ILE H . 50827 1 176 . 1 . 1 101 101 ILE N N 15 121.265 0.000 . 1 . . . . . 101 ILE N . 50827 1 177 . 1 . 1 102 102 LEU H H 1 8.235 0.000 . 1 . . . . . 102 LEU H . 50827 1 178 . 1 . 1 102 102 LEU N N 15 120.532 0.000 . 1 . . . . . 102 LEU N . 50827 1 179 . 1 . 1 103 103 GLN H H 1 8.051 0.000 . 1 . . . . . 103 GLN H . 50827 1 180 . 1 . 1 103 103 GLN N N 15 115.725 0.000 . 1 . . . . . 103 GLN N . 50827 1 181 . 1 . 1 104 104 GLU H H 1 7.713 0.000 . 1 . . . . . 104 GLU H . 50827 1 182 . 1 . 1 104 104 GLU N N 15 118.734 0.000 . 1 . . . . . 104 GLU N . 50827 1 183 . 1 . 1 105 105 ALA H H 1 8.906 0.000 . 1 . . . . . 105 ALA H . 50827 1 184 . 1 . 1 105 105 ALA N N 15 123.521 0.000 . 1 . . . . . 105 ALA N . 50827 1 185 . 1 . 1 106 106 LEU H H 1 8.449 0.000 . 1 . . . . . 106 LEU H . 50827 1 186 . 1 . 1 106 106 LEU N N 15 118.185 0.000 . 1 . . . . . 106 LEU N . 50827 1 187 . 1 . 1 107 107 TRP H H 1 8.270 0.000 . 1 . . . . . 107 TRP H . 50827 1 188 . 1 . 1 107 107 TRP N N 15 122.463 0.000 . 1 . . . . . 107 TRP N . 50827 1 189 . 1 . 1 108 108 ALA H H 1 8.173 0.000 . 1 . . . . . 108 ALA H . 50827 1 190 . 1 . 1 108 108 ALA N N 15 121.170 0.000 . 1 . . . . . 108 ALA N . 50827 1 191 . 1 . 1 109 109 LEU H H 1 8.410 0.000 . 1 . . . . . 109 LEU H . 50827 1 192 . 1 . 1 109 109 LEU N N 15 116.981 0.000 . 1 . . . . . 109 LEU N . 50827 1 193 . 1 . 1 110 110 SER H H 1 8.808 0.000 . 1 . . . . . 110 SER H . 50827 1 194 . 1 . 1 110 110 SER N N 15 115.526 0.000 . 1 . . . . . 110 SER N . 50827 1 195 . 1 . 1 111 111 ASN H H 1 7.755 0.000 . 1 . . . . . 111 ASN H . 50827 1 196 . 1 . 1 111 111 ASN N N 15 118.793 0.000 . 1 . . . . . 111 ASN N . 50827 1 197 . 1 . 1 112 112 ILE H H 1 8.074 0.000 . 1 . . . . . 112 ILE H . 50827 1 198 . 1 . 1 112 112 ILE N N 15 122.792 0.000 . 1 . . . . . 112 ILE N . 50827 1 199 . 1 . 1 113 113 ALA H H 1 8.140 0.000 . 1 . . . . . 113 ALA H . 50827 1 200 . 1 . 1 113 113 ALA N N 15 117.729 0.000 . 1 . . . . . 113 ALA N . 50827 1 201 . 1 . 1 114 114 SER H H 1 7.306 0.000 . 1 . . . . . 114 SER H . 50827 1 202 . 1 . 1 114 114 SER N N 15 111.459 0.000 . 1 . . . . . 114 SER N . 50827 1 203 . 1 . 1 115 115 GLY H H 1 7.701 0.000 . 1 . . . . . 115 GLY H . 50827 1 204 . 1 . 1 115 115 GLY N N 15 108.920 0.000 . 1 . . . . . 115 GLY N . 50827 1 205 . 1 . 1 116 116 GLY H H 1 7.855 0.000 . 1 . . . . . 116 GLY H . 50827 1 206 . 1 . 1 116 116 GLY N N 15 105.544 0.000 . 1 . . . . . 116 GLY N . 50827 1 207 . 1 . 1 118 118 GLU H H 1 9.294 0.000 . 1 . . . . . 118 GLU H . 50827 1 208 . 1 . 1 118 118 GLU N N 15 118.890 0.000 . 1 . . . . . 118 GLU N . 50827 1 209 . 1 . 1 119 119 GLN H H 1 7.523 0.000 . 1 . . . . . 119 GLN H . 50827 1 210 . 1 . 1 119 119 GLN N N 15 122.039 0.000 . 1 . . . . . 119 GLN N . 50827 1 211 . 1 . 1 120 120 ILE H H 1 8.207 0.000 . 1 . . . . . 120 ILE H . 50827 1 212 . 1 . 1 120 120 ILE N N 15 119.586 0.000 . 1 . . . . . 120 ILE N . 50827 1 213 . 1 . 1 121 121 GLN H H 1 8.260 0.000 . 1 . . . . . 121 GLN H . 50827 1 214 . 1 . 1 121 121 GLN N N 15 118.124 0.000 . 1 . . . . . 121 GLN N . 50827 1 215 . 1 . 1 122 122 ALA H H 1 7.474 0.000 . 1 . . . . . 122 ALA H . 50827 1 216 . 1 . 1 122 122 ALA N N 15 120.640 0.000 . 1 . . . . . 122 ALA N . 50827 1 217 . 1 . 1 123 123 VAL H H 1 7.615 0.000 . 1 . . . . . 123 VAL H . 50827 1 218 . 1 . 1 123 123 VAL N N 15 119.475 0.000 . 1 . . . . . 123 VAL N . 50827 1 219 . 1 . 1 124 124 ILE H H 1 7.949 0.000 . 1 . . . . . 124 ILE H . 50827 1 220 . 1 . 1 124 124 ILE N N 15 120.121 0.000 . 1 . . . . . 124 ILE N . 50827 1 221 . 1 . 1 125 125 ASP H H 1 9.456 0.000 . 1 . . . . . 125 ASP H . 50827 1 222 . 1 . 1 125 125 ASP N N 15 123.599 0.000 . 1 . . . . . 125 ASP N . 50827 1 223 . 1 . 1 126 126 ALA H H 1 7.524 0.000 . 1 . . . . . 126 ALA H . 50827 1 224 . 1 . 1 126 126 ALA N N 15 119.750 0.000 . 1 . . . . . 126 ALA N . 50827 1 225 . 1 . 1 127 127 GLY H H 1 8.114 0.000 . 1 . . . . . 127 GLY H . 50827 1 226 . 1 . 1 127 127 GLY N N 15 104.419 0.000 . 1 . . . . . 127 GLY N . 50827 1 227 . 1 . 1 128 128 ALA H H 1 7.114 0.000 . 1 . . . . . 128 ALA H . 50827 1 228 . 1 . 1 128 128 ALA N N 15 116.997 0.000 . 1 . . . . . 128 ALA N . 50827 1 229 . 1 . 1 129 129 LEU H H 1 9.362 0.000 . 1 . . . . . 129 LEU H . 50827 1 230 . 1 . 1 129 129 LEU N N 15 113.670 0.000 . 1 . . . . . 129 LEU N . 50827 1 231 . 1 . 1 131 131 ALA H H 1 6.859 0.000 . 1 . . . . . 131 ALA H . 50827 1 232 . 1 . 1 131 131 ALA N N 15 118.743 0.000 . 1 . . . . . 131 ALA N . 50827 1 233 . 1 . 1 132 132 LEU H H 1 8.172 0.000 . 1 . . . . . 132 LEU H . 50827 1 234 . 1 . 1 132 132 LEU N N 15 118.126 0.000 . 1 . . . . . 132 LEU N . 50827 1 235 . 1 . 1 133 133 VAL H H 1 8.373 0.000 . 1 . . . . . 133 VAL H . 50827 1 236 . 1 . 1 133 133 VAL N N 15 115.978 0.000 . 1 . . . . . 133 VAL N . 50827 1 237 . 1 . 1 134 134 GLN H H 1 7.679 0.000 . 1 . . . . . 134 GLN H . 50827 1 238 . 1 . 1 134 134 GLN N N 15 119.578 0.000 . 1 . . . . . 134 GLN N . 50827 1 239 . 1 . 1 135 135 LEU H H 1 7.680 0.000 . 1 . . . . . 135 LEU H . 50827 1 240 . 1 . 1 135 135 LEU N N 15 119.467 0.000 . 1 . . . . . 135 LEU N . 50827 1 241 . 1 . 1 137 137 SER H H 1 8.169 0.000 . 1 . . . . . 137 SER H . 50827 1 242 . 1 . 1 137 137 SER N N 15 123.274 0.000 . 1 . . . . . 137 SER N . 50827 1 243 . 1 . 1 138 138 SER H H 1 7.577 0.000 . 1 . . . . . 138 SER H . 50827 1 244 . 1 . 1 138 138 SER N N 15 118.362 0.000 . 1 . . . . . 138 SER N . 50827 1 245 . 1 . 1 139 139 PRO N N 15 119.408 0.000 . 1 . . . . . 139 PRO N . 50827 1 246 . 1 . 1 140 140 ASN H H 1 8.322 0.000 . 1 . . . . . 140 ASN H . 50827 1 247 . 1 . 1 140 140 ASN N N 15 120.616 0.000 . 1 . . . . . 140 ASN N . 50827 1 248 . 1 . 1 141 141 GLU H H 1 8.999 0.000 . 1 . . . . . 141 GLU H . 50827 1 249 . 1 . 1 141 141 GLU N N 15 126.069 0.000 . 1 . . . . . 141 GLU N . 50827 1 250 . 1 . 1 142 142 GLN H H 1 8.230 0.000 . 1 . . . . . 142 GLN H . 50827 1 251 . 1 . 1 142 142 GLN N N 15 119.512 0.000 . 1 . . . . . 142 GLN N . 50827 1 252 . 1 . 1 143 143 ILE H H 1 7.384 0.000 . 1 . . . . . 143 ILE H . 50827 1 253 . 1 . 1 143 143 ILE N N 15 121.332 0.000 . 1 . . . . . 143 ILE N . 50827 1 254 . 1 . 1 144 144 LEU H H 1 8.243 0.000 . 1 . . . . . 144 LEU H . 50827 1 255 . 1 . 1 144 144 LEU N N 15 120.475 0.000 . 1 . . . . . 144 LEU N . 50827 1 256 . 1 . 1 145 145 GLN H H 1 7.999 0.000 . 1 . . . . . 145 GLN H . 50827 1 257 . 1 . 1 145 145 GLN N N 15 115.725 0.000 . 1 . . . . . 145 GLN N . 50827 1 258 . 1 . 1 146 146 GLU H H 1 7.784 0.000 . 1 . . . . . 146 GLU H . 50827 1 259 . 1 . 1 146 146 GLU N N 15 118.652 0.000 . 1 . . . . . 146 GLU N . 50827 1 260 . 1 . 1 147 147 ALA H H 1 8.910 0.000 . 1 . . . . . 147 ALA H . 50827 1 261 . 1 . 1 147 147 ALA N N 15 123.486 0.000 . 1 . . . . . 147 ALA N . 50827 1 262 . 1 . 1 148 148 LEU H H 1 8.433 0.000 . 1 . . . . . 148 LEU H . 50827 1 263 . 1 . 1 148 148 LEU N N 15 118.227 0.000 . 1 . . . . . 148 LEU N . 50827 1 264 . 1 . 1 149 149 TRP H H 1 8.271 0.000 . 1 . . . . . 149 TRP H . 50827 1 265 . 1 . 1 149 149 TRP N N 15 122.416 0.000 . 1 . . . . . 149 TRP N . 50827 1 266 . 1 . 1 150 150 ALA H H 1 8.176 0.000 . 1 . . . . . 150 ALA H . 50827 1 267 . 1 . 1 150 150 ALA N N 15 121.149 0.000 . 1 . . . . . 150 ALA N . 50827 1 268 . 1 . 1 151 151 LEU H H 1 8.415 0.000 . 1 . . . . . 151 LEU H . 50827 1 269 . 1 . 1 151 151 LEU N N 15 116.969 0.000 . 1 . . . . . 151 LEU N . 50827 1 270 . 1 . 1 152 152 SER H H 1 8.851 0.000 . 1 . . . . . 152 SER H . 50827 1 271 . 1 . 1 152 152 SER N N 15 114.959 0.000 . 1 . . . . . 152 SER N . 50827 1 272 . 1 . 1 153 153 ASN H H 1 7.908 0.000 . 1 . . . . . 153 ASN H . 50827 1 273 . 1 . 1 153 153 ASN N N 15 118.942 0.000 . 1 . . . . . 153 ASN N . 50827 1 274 . 1 . 1 154 154 ILE H H 1 8.007 0.000 . 1 . . . . . 154 ILE H . 50827 1 275 . 1 . 1 154 154 ILE N N 15 122.548 0.000 . 1 . . . . . 154 ILE N . 50827 1 276 . 1 . 1 155 155 ALA H H 1 8.129 0.000 . 1 . . . . . 155 ALA H . 50827 1 277 . 1 . 1 155 155 ALA N N 15 117.602 0.000 . 1 . . . . . 155 ALA N . 50827 1 278 . 1 . 1 156 156 SER H H 1 7.476 0.000 . 1 . . . . . 156 SER H . 50827 1 279 . 1 . 1 156 156 SER N N 15 112.178 0.000 . 1 . . . . . 156 SER N . 50827 1 280 . 1 . 1 157 157 GLY H H 1 7.702 0.000 . 1 . . . . . 157 GLY H . 50827 1 281 . 1 . 1 157 157 GLY N N 15 108.910 0.000 . 1 . . . . . 157 GLY N . 50827 1 282 . 1 . 1 158 158 GLY H H 1 7.815 0.000 . 1 . . . . . 158 GLY H . 50827 1 283 . 1 . 1 158 158 GLY N N 15 104.980 0.000 . 1 . . . . . 158 GLY N . 50827 1 284 . 1 . 1 160 160 GLU H H 1 9.292 0.000 . 1 . . . . . 160 GLU H . 50827 1 285 . 1 . 1 160 160 GLU N N 15 118.660 0.000 . 1 . . . . . 160 GLU N . 50827 1 286 . 1 . 1 161 161 GLN H H 1 7.514 0.000 . 1 . . . . . 161 GLN H . 50827 1 287 . 1 . 1 161 161 GLN N N 15 122.021 0.000 . 1 . . . . . 161 GLN N . 50827 1 288 . 1 . 1 162 162 ILE H H 1 8.314 0.000 . 1 . . . . . 162 ILE H . 50827 1 289 . 1 . 1 162 162 ILE N N 15 119.317 0.000 . 1 . . . . . 162 ILE N . 50827 1 290 . 1 . 1 163 163 GLN H H 1 8.355 0.000 . 1 . . . . . 163 GLN H . 50827 1 291 . 1 . 1 163 163 GLN N N 15 118.205 0.000 . 1 . . . . . 163 GLN N . 50827 1 292 . 1 . 1 164 164 ALA H H 1 7.460 0.000 . 1 . . . . . 164 ALA H . 50827 1 293 . 1 . 1 164 164 ALA N N 15 120.588 0.000 . 1 . . . . . 164 ALA N . 50827 1 294 . 1 . 1 165 165 VAL H H 1 7.598 0.000 . 1 . . . . . 165 VAL H . 50827 1 295 . 1 . 1 165 165 VAL N N 15 119.573 0.000 . 1 . . . . . 165 VAL N . 50827 1 296 . 1 . 1 166 166 ILE H H 1 7.918 0.000 . 1 . . . . . 166 ILE H . 50827 1 297 . 1 . 1 166 166 ILE N N 15 120.192 0.000 . 1 . . . . . 166 ILE N . 50827 1 298 . 1 . 1 167 167 ASP H H 1 9.506 0.000 . 1 . . . . . 167 ASP H . 50827 1 299 . 1 . 1 167 167 ASP N N 15 123.676 0.000 . 1 . . . . . 167 ASP N . 50827 1 300 . 1 . 1 168 168 ALA H H 1 7.525 0.000 . 1 . . . . . 168 ALA H . 50827 1 301 . 1 . 1 168 168 ALA N N 15 119.724 0.000 . 1 . . . . . 168 ALA N . 50827 1 302 . 1 . 1 169 169 GLY H H 1 8.118 0.000 . 1 . . . . . 169 GLY H . 50827 1 303 . 1 . 1 169 169 GLY N N 15 104.382 0.000 . 1 . . . . . 169 GLY N . 50827 1 304 . 1 . 1 170 170 ALA H H 1 7.111 0.000 . 1 . . . . . 170 ALA H . 50827 1 305 . 1 . 1 170 170 ALA N N 15 117.005 0.000 . 1 . . . . . 170 ALA N . 50827 1 306 . 1 . 1 171 171 LEU H H 1 9.381 0.000 . 1 . . . . . 171 LEU H . 50827 1 307 . 1 . 1 171 171 LEU N N 15 113.268 0.000 . 1 . . . . . 171 LEU N . 50827 1 308 . 1 . 1 173 173 ALA H H 1 6.871 0.000 . 1 . . . . . 173 ALA H . 50827 1 309 . 1 . 1 173 173 ALA N N 15 118.757 0.000 . 1 . . . . . 173 ALA N . 50827 1 310 . 1 . 1 174 174 LEU H H 1 8.217 0.000 . 1 . . . . . 174 LEU H . 50827 1 311 . 1 . 1 174 174 LEU N N 15 118.092 0.000 . 1 . . . . . 174 LEU N . 50827 1 312 . 1 . 1 175 175 VAL H H 1 8.396 0.000 . 1 . . . . . 175 VAL H . 50827 1 313 . 1 . 1 175 175 VAL N N 15 115.995 0.000 . 1 . . . . . 175 VAL N . 50827 1 314 . 1 . 1 176 176 GLN H H 1 7.773 0.000 . 1 . . . . . 176 GLN H . 50827 1 315 . 1 . 1 176 176 GLN N N 15 120.212 0.000 . 1 . . . . . 176 GLN N . 50827 1 316 . 1 . 1 177 177 LEU H H 1 7.758 0.000 . 1 . . . . . 177 LEU H . 50827 1 317 . 1 . 1 177 177 LEU N N 15 120.133 0.000 . 1 . . . . . 177 LEU N . 50827 1 318 . 1 . 1 178 178 LEU H H 1 7.457 0.000 . 1 . . . . . 178 LEU H . 50827 1 319 . 1 . 1 178 178 LEU N N 15 116.488 0.000 . 1 . . . . . 178 LEU N . 50827 1 320 . 1 . 1 179 179 SER H H 1 7.475 0.000 . 1 . . . . . 179 SER H . 50827 1 321 . 1 . 1 179 179 SER N N 15 111.099 0.000 . 1 . . . . . 179 SER N . 50827 1 322 . 1 . 1 180 180 SER H H 1 7.573 0.000 . 1 . . . . . 180 SER H . 50827 1 323 . 1 . 1 180 180 SER N N 15 118.315 0.000 . 1 . . . . . 180 SER N . 50827 1 324 . 1 . 1 182 182 ASN H H 1 8.325 0.000 . 1 . . . . . 182 ASN H . 50827 1 325 . 1 . 1 182 182 ASN N N 15 120.600 0.000 . 1 . . . . . 182 ASN N . 50827 1 326 . 1 . 1 183 183 GLU H H 1 9.061 0.000 . 1 . . . . . 183 GLU H . 50827 1 327 . 1 . 1 183 183 GLU N N 15 126.281 0.000 . 1 . . . . . 183 GLU N . 50827 1 328 . 1 . 1 184 184 GLN H H 1 8.239 0.000 . 1 . . . . . 184 GLN H . 50827 1 329 . 1 . 1 184 184 GLN N N 15 119.480 0.000 . 1 . . . . . 184 GLN N . 50827 1 330 . 1 . 1 185 185 ILE H H 1 7.387 0.000 . 1 . . . . . 185 ILE H . 50827 1 331 . 1 . 1 185 185 ILE N N 15 121.360 0.000 . 1 . . . . . 185 ILE N . 50827 1 332 . 1 . 1 186 186 LEU H H 1 8.241 0.000 . 1 . . . . . 186 LEU H . 50827 1 333 . 1 . 1 186 186 LEU N N 15 120.514 0.000 . 1 . . . . . 186 LEU N . 50827 1 334 . 1 . 1 187 187 GLN H H 1 7.903 0.000 . 1 . . . . . 187 GLN H . 50827 1 335 . 1 . 1 187 187 GLN N N 15 115.656 0.000 . 1 . . . . . 187 GLN N . 50827 1 336 . 1 . 1 188 188 GLU H H 1 7.801 0.000 . 1 . . . . . 188 GLU H . 50827 1 337 . 1 . 1 188 188 GLU N N 15 118.726 0.000 . 1 . . . . . 188 GLU N . 50827 1 338 . 1 . 1 189 189 ALA H H 1 8.897 0.000 . 1 . . . . . 189 ALA H . 50827 1 339 . 1 . 1 189 189 ALA N N 15 123.515 0.000 . 1 . . . . . 189 ALA N . 50827 1 340 . 1 . 1 190 190 LEU H H 1 8.401 0.000 . 1 . . . . . 190 LEU H . 50827 1 341 . 1 . 1 190 190 LEU N N 15 119.148 0.000 . 1 . . . . . 190 LEU N . 50827 1 342 . 1 . 1 191 191 TRP H H 1 8.350 0.000 . 1 . . . . . 191 TRP H . 50827 1 343 . 1 . 1 191 191 TRP N N 15 121.566 0.000 . 1 . . . . . 191 TRP N . 50827 1 344 . 1 . 1 192 192 ALA H H 1 8.174 0.000 . 1 . . . . . 192 ALA H . 50827 1 345 . 1 . 1 192 192 ALA N N 15 121.161 0.000 . 1 . . . . . 192 ALA N . 50827 1 346 . 1 . 1 193 193 LEU H H 1 8.412 0.000 . 1 . . . . . 193 LEU H . 50827 1 347 . 1 . 1 193 193 LEU N N 15 117.005 0.000 . 1 . . . . . 193 LEU N . 50827 1 348 . 1 . 1 194 194 SER H H 1 8.813 0.000 . 1 . . . . . 194 SER H . 50827 1 349 . 1 . 1 194 194 SER N N 15 115.520 0.000 . 1 . . . . . 194 SER N . 50827 1 350 . 1 . 1 195 195 ASN H H 1 7.790 0.000 . 1 . . . . . 195 ASN H . 50827 1 351 . 1 . 1 195 195 ASN N N 15 118.851 0.000 . 1 . . . . . 195 ASN N . 50827 1 352 . 1 . 1 196 196 ILE H H 1 8.078 0.000 . 1 . . . . . 196 ILE H . 50827 1 353 . 1 . 1 196 196 ILE N N 15 122.792 0.000 . 1 . . . . . 196 ILE N . 50827 1 354 . 1 . 1 197 197 ALA H H 1 8.362 0.000 . 1 . . . . . 197 ALA H . 50827 1 355 . 1 . 1 197 197 ALA N N 15 118.425 0.000 . 1 . . . . . 197 ALA N . 50827 1 356 . 1 . 1 198 198 SER H H 1 7.425 0.000 . 1 . . . . . 198 SER H . 50827 1 357 . 1 . 1 198 198 SER N N 15 111.772 0.000 . 1 . . . . . 198 SER N . 50827 1 358 . 1 . 1 199 199 GLY H H 1 7.994 0.000 . 1 . . . . . 199 GLY H . 50827 1 359 . 1 . 1 199 199 GLY N N 15 108.800 0.000 . 1 . . . . . 199 GLY N . 50827 1 360 . 1 . 1 200 200 GLY H H 1 7.939 0.000 . 1 . . . . . 200 GLY H . 50827 1 361 . 1 . 1 200 200 GLY N N 15 104.427 0.000 . 1 . . . . . 200 GLY N . 50827 1 362 . 1 . 1 201 201 ASN H H 1 8.897 0.000 . 1 . . . . . 201 ASN H . 50827 1 363 . 1 . 1 201 201 ASN N N 15 118.616 0.000 . 1 . . . . . 201 ASN N . 50827 1 364 . 1 . 1 202 202 GLU H H 1 9.489 0.000 . 1 . . . . . 202 GLU H . 50827 1 365 . 1 . 1 202 202 GLU N N 15 118.963 0.000 . 1 . . . . . 202 GLU N . 50827 1 366 . 1 . 1 203 203 GLN H H 1 7.385 0.000 . 1 . . . . . 203 GLN H . 50827 1 367 . 1 . 1 203 203 GLN N N 15 121.367 0.000 . 1 . . . . . 203 GLN N . 50827 1 368 . 1 . 1 204 204 LYS H H 1 8.250 0.000 . 1 . . . . . 204 LYS H . 50827 1 369 . 1 . 1 204 204 LYS N N 15 118.186 0.000 . 1 . . . . . 204 LYS N . 50827 1 370 . 1 . 1 205 205 GLN H H 1 8.266 0.000 . 1 . . . . . 205 GLN H . 50827 1 371 . 1 . 1 205 205 GLN N N 15 117.795 0.000 . 1 . . . . . 205 GLN N . 50827 1 372 . 1 . 1 206 206 ALA H H 1 7.472 0.000 . 1 . . . . . 206 ALA H . 50827 1 373 . 1 . 1 206 206 ALA N N 15 121.500 0.000 . 1 . . . . . 206 ALA N . 50827 1 374 . 1 . 1 207 207 VAL H H 1 7.601 0.000 . 1 . . . . . 207 VAL H . 50827 1 375 . 1 . 1 207 207 VAL N N 15 118.775 0.000 . 1 . . . . . 207 VAL N . 50827 1 376 . 1 . 1 208 208 LYS H H 1 7.893 0.000 . 1 . . . . . 208 LYS H . 50827 1 377 . 1 . 1 208 208 LYS N N 15 118.911 0.000 . 1 . . . . . 208 LYS N . 50827 1 378 . 1 . 1 209 209 GLU H H 1 8.846 0.000 . 1 . . . . . 209 GLU H . 50827 1 379 . 1 . 1 209 209 GLU N N 15 121.355 0.000 . 1 . . . . . 209 GLU N . 50827 1 380 . 1 . 1 210 210 ALA H H 1 7.435 0.000 . 1 . . . . . 210 ALA H . 50827 1 381 . 1 . 1 210 210 ALA N N 15 118.954 0.000 . 1 . . . . . 210 ALA N . 50827 1 382 . 1 . 1 211 211 GLY H H 1 7.817 0.000 . 1 . . . . . 211 GLY H . 50827 1 383 . 1 . 1 211 211 GLY N N 15 104.040 0.000 . 1 . . . . . 211 GLY N . 50827 1 384 . 1 . 1 212 212 ALA H H 1 7.108 0.000 . 1 . . . . . 212 ALA H . 50827 1 385 . 1 . 1 212 212 ALA N N 15 117.021 0.000 . 1 . . . . . 212 ALA N . 50827 1 386 . 1 . 1 213 213 LEU H H 1 8.985 0.000 . 1 . . . . . 213 LEU H . 50827 1 387 . 1 . 1 213 213 LEU N N 15 116.311 0.000 . 1 . . . . . 213 LEU N . 50827 1 388 . 1 . 1 214 214 GLU H H 1 8.376 0.000 . 1 . . . . . 214 GLU H . 50827 1 389 . 1 . 1 214 214 GLU N N 15 116.788 0.000 . 1 . . . . . 214 GLU N . 50827 1 390 . 1 . 1 215 215 LYS H H 1 6.825 0.000 . 1 . . . . . 215 LYS H . 50827 1 391 . 1 . 1 215 215 LYS N N 15 115.665 0.000 . 1 . . . . . 215 LYS N . 50827 1 392 . 1 . 1 216 216 LEU H H 1 8.461 0.000 . 1 . . . . . 216 LEU H . 50827 1 393 . 1 . 1 216 216 LEU N N 15 119.929 0.000 . 1 . . . . . 216 LEU N . 50827 1 394 . 1 . 1 217 217 GLU H H 1 8.071 0.000 . 1 . . . . . 217 GLU H . 50827 1 395 . 1 . 1 217 217 GLU N N 15 116.919 0.000 . 1 . . . . . 217 GLU N . 50827 1 396 . 1 . 1 218 218 GLN H H 1 7.565 0.000 . 1 . . . . . 218 GLN H . 50827 1 397 . 1 . 1 218 218 GLN N N 15 118.342 0.000 . 1 . . . . . 218 GLN N . 50827 1 398 . 1 . 1 219 219 LEU H H 1 7.903 0.000 . 1 . . . . . 219 LEU H . 50827 1 399 . 1 . 1 219 219 LEU N N 15 119.514 0.000 . 1 . . . . . 219 LEU N . 50827 1 400 . 1 . 1 220 220 GLN H H 1 7.503 0.000 . 1 . . . . . 220 GLN H . 50827 1 401 . 1 . 1 220 220 GLN N N 15 116.377 0.000 . 1 . . . . . 220 GLN N . 50827 1 402 . 1 . 1 221 221 CYS H H 1 7.599 0.000 . 1 . . . . . 221 CYS H . 50827 1 403 . 1 . 1 221 221 CYS N N 15 110.950 0.000 . 1 . . . . . 221 CYS N . 50827 1 404 . 1 . 1 222 222 HIS H H 1 7.630 0.000 . 1 . . . . . 222 HIS H . 50827 1 405 . 1 . 1 222 222 HIS N N 15 124.450 0.000 . 1 . . . . . 222 HIS N . 50827 1 406 . 1 . 1 223 223 GLU H H 1 8.036 0.000 . 1 . . . . . 223 GLU H . 50827 1 407 . 1 . 1 223 223 GLU N N 15 124.165 0.000 . 1 . . . . . 223 GLU N . 50827 1 408 . 1 . 1 224 224 ASN H H 1 11.682 0.000 . 1 . . . . . 224 ASN H . 50827 1 409 . 1 . 1 224 224 ASN N N 15 124.803 0.000 . 1 . . . . . 224 ASN N . 50827 1 410 . 1 . 1 225 225 GLU H H 1 9.100 0.000 . 1 . . . . . 225 GLU H . 50827 1 411 . 1 . 1 225 225 GLU N N 15 127.851 0.000 . 1 . . . . . 225 GLU N . 50827 1 412 . 1 . 1 226 226 LYS H H 1 8.261 0.000 . 1 . . . . . 226 LYS H . 50827 1 413 . 1 . 1 226 226 LYS N N 15 119.948 0.000 . 1 . . . . . 226 LYS N . 50827 1 414 . 1 . 1 227 227 ILE H H 1 7.225 0.000 . 1 . . . . . 227 ILE H . 50827 1 415 . 1 . 1 227 227 ILE N N 15 120.440 0.000 . 1 . . . . . 227 ILE N . 50827 1 416 . 1 . 1 228 228 GLN H H 1 8.160 0.000 . 1 . . . . . 228 GLN H . 50827 1 417 . 1 . 1 228 228 GLN N N 15 117.971 0.000 . 1 . . . . . 228 GLN N . 50827 1 418 . 1 . 1 229 229 LYS H H 1 7.777 0.000 . 1 . . . . . 229 LYS H . 50827 1 419 . 1 . 1 229 229 LYS N N 15 117.644 0.000 . 1 . . . . . 229 LYS N . 50827 1 420 . 1 . 1 230 230 GLU H H 1 8.057 0.000 . 1 . . . . . 230 GLU H . 50827 1 421 . 1 . 1 230 230 GLU N N 15 119.383 0.000 . 1 . . . . . 230 GLU N . 50827 1 422 . 1 . 1 231 231 ALA H H 1 8.972 0.000 . 1 . . . . . 231 ALA H . 50827 1 423 . 1 . 1 231 231 ALA N N 15 122.550 0.000 . 1 . . . . . 231 ALA N . 50827 1 424 . 1 . 1 232 232 GLN H H 1 8.109 0.000 . 1 . . . . . 232 GLN H . 50827 1 425 . 1 . 1 232 232 GLN N N 15 117.603 0.000 . 1 . . . . . 232 GLN N . 50827 1 426 . 1 . 1 233 233 GLU H H 1 8.255 0.000 . 1 . . . . . 233 GLU H . 50827 1 427 . 1 . 1 233 233 GLU N N 15 119.409 0.000 . 1 . . . . . 233 GLU N . 50827 1 428 . 1 . 1 234 234 ALA H H 1 8.183 0.000 . 1 . . . . . 234 ALA H . 50827 1 429 . 1 . 1 234 234 ALA N N 15 122.057 0.000 . 1 . . . . . 234 ALA N . 50827 1 430 . 1 . 1 235 235 LEU H H 1 8.260 0.000 . 1 . . . . . 235 LEU H . 50827 1 431 . 1 . 1 235 235 LEU N N 15 118.154 0.000 . 1 . . . . . 235 LEU N . 50827 1 432 . 1 . 1 236 236 GLU H H 1 8.020 0.000 . 1 . . . . . 236 GLU H . 50827 1 433 . 1 . 1 236 236 GLU N N 15 119.039 0.000 . 1 . . . . . 236 GLU N . 50827 1 434 . 1 . 1 237 237 LYS H H 1 7.795 0.000 . 1 . . . . . 237 LYS H . 50827 1 435 . 1 . 1 237 237 LYS N N 15 118.819 0.000 . 1 . . . . . 237 LYS N . 50827 1 436 . 1 . 1 238 238 LEU H H 1 7.811 0.000 . 1 . . . . . 238 LEU H . 50827 1 437 . 1 . 1 238 238 LEU N N 15 117.136 0.000 . 1 . . . . . 238 LEU N . 50827 1 438 . 1 . 1 239 239 GLN H H 1 7.688 0.000 . 1 . . . . . 239 GLN H . 50827 1 439 . 1 . 1 239 239 GLN N N 15 116.419 0.000 . 1 . . . . . 239 GLN N . 50827 1 440 . 1 . 1 240 240 SER H H 1 7.695 0.000 . 1 . . . . . 240 SER H . 50827 1 441 . 1 . 1 240 240 SER N N 15 116.404 0.000 . 1 . . . . . 240 SER N . 50827 1 442 . 1 . 1 241 241 HIS H H 1 8.240 0.000 . 1 . . . . . 241 HIS H . 50827 1 443 . 1 . 1 241 241 HIS N N 15 125.725 0.000 . 1 . . . . . 241 HIS N . 50827 1 stop_ save_