################################### # 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 52901 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Q51A human I-BABP:GCDA backbone NH chemical 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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 52901 1 2 '3D HNCACB' . . . 52901 1 3 '3D CBCA(CO)NH' . . . 52901 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 . . 52901 1 2 $software_2 . . 52901 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 PHE H H 1 9.27 0.03 . 1 . . . . . 2 PHE H . 52901 1 2 . 1 . 1 2 2 PHE N N 15 119.0 0.2 . 1 . . . . . 2 PHE N . 52901 1 3 . 1 . 1 3 3 THR H H 1 7.17 0.03 . 1 . . . . . 3 THR H . 52901 1 4 . 1 . 1 3 3 THR N N 15 110.0 0.2 . 1 . . . . . 3 THR N . 52901 1 5 . 1 . 1 4 4 GLY H H 1 8.97 0.03 . 1 . . . . . 4 GLY H . 52901 1 6 . 1 . 1 4 4 GLY N N 15 115.8 0.2 . 1 . . . . . 4 GLY N . 52901 1 7 . 1 . 1 5 5 LYS H H 1 7.79 0.03 . 1 . . . . . 5 LYS H . 52901 1 8 . 1 . 1 5 5 LYS N N 15 119.5 0.2 . 1 . . . . . 5 LYS N . 52901 1 9 . 1 . 1 6 6 PHE H H 1 9.65 0.03 . 1 . . . . . 6 PHE H . 52901 1 10 . 1 . 1 6 6 PHE N N 15 122.9 0.2 . 1 . . . . . 6 PHE N . 52901 1 11 . 1 . 1 7 7 GLU H H 1 9.43 0.03 . 1 . . . . . 7 GLU H . 52901 1 12 . 1 . 1 7 7 GLU N N 15 123.0 0.2 . 1 . . . . . 7 GLU N . 52901 1 13 . 1 . 1 8 8 MET H H 1 8.26 0.03 . 1 . . . . . 8 MET H . 52901 1 14 . 1 . 1 8 8 MET N N 15 128.7 0.2 . 1 . . . . . 8 MET N . 52901 1 15 . 1 . 1 9 9 GLU H H 1 10.26 0.03 . 1 . . . . . 9 GLU H . 52901 1 16 . 1 . 1 9 9 GLU N N 15 126.6 0.2 . 1 . . . . . 9 GLU N . 52901 1 17 . 1 . 1 10 10 SER H H 1 8.49 0.03 . 1 . . . . . 10 SER H . 52901 1 18 . 1 . 1 10 10 SER N N 15 114.2 0.2 . 1 . . . . . 10 SER N . 52901 1 19 . 1 . 1 11 11 GLU H H 1 8.44 0.03 . 1 . . . . . 11 GLU H . 52901 1 20 . 1 . 1 11 11 GLU N N 15 116.2 0.2 . 1 . . . . . 11 GLU N . 52901 1 21 . 1 . 1 12 12 LYS H H 1 8.38 0.03 . 1 . . . . . 12 LYS H . 52901 1 22 . 1 . 1 12 12 LYS N N 15 119.7 0.2 . 1 . . . . . 12 LYS N . 52901 1 23 . 1 . 1 13 13 ASN H H 1 8.87 0.03 . 1 . . . . . 13 ASN H . 52901 1 24 . 1 . 1 13 13 ASN N N 15 116.9 0.2 . 1 . . . . . 13 ASN N . 52901 1 25 . 1 . 1 14 14 TYR H H 1 8.50 0.03 . 1 . . . . . 14 TYR H . 52901 1 26 . 1 . 1 14 14 TYR N N 15 117.8 0.2 . 1 . . . . . 14 TYR N . 52901 1 27 . 1 . 1 15 15 ASP H H 1 8.55 0.03 . 1 . . . . . 15 ASP H . 52901 1 28 . 1 . 1 15 15 ASP N N 15 117.1 0.2 . 1 . . . . . 15 ASP N . 52901 1 29 . 1 . 1 16 16 GLU H H 1 8.84 0.03 . 1 . . . . . 16 GLU H . 52901 1 30 . 1 . 1 16 16 GLU N N 15 116.7 0.2 . 1 . . . . . 16 GLU N . 52901 1 31 . 1 . 1 17 17 PHE H H 1 7.84 0.03 . 1 . . . . . 17 PHE H . 52901 1 32 . 1 . 1 17 17 PHE N N 15 119.1 0.2 . 1 . . . . . 17 PHE N . 52901 1 33 . 1 . 1 18 18 MET H H 1 8.37 0.03 . 1 . . . . . 18 MET H . 52901 1 34 . 1 . 1 18 18 MET N N 15 115.0 0.2 . 1 . . . . . 18 MET N . 52901 1 35 . 1 . 1 19 19 LYS H H 1 7.20 0.03 . 1 . . . . . 19 LYS H . 52901 1 36 . 1 . 1 19 19 LYS N N 15 116.5 0.2 . 1 . . . . . 19 LYS N . 52901 1 37 . 1 . 1 20 20 LEU H H 1 7.32 0.03 . 1 . . . . . 20 LEU H . 52901 1 38 . 1 . 1 20 20 LEU N N 15 122.1 0.2 . 1 . . . . . 20 LEU N . 52901 1 39 . 1 . 1 21 21 LEU H H 1 7.64 0.03 . 1 . . . . . 21 LEU H . 52901 1 40 . 1 . 1 21 21 LEU N N 15 118.2 0.2 . 1 . . . . . 21 LEU N . 52901 1 41 . 1 . 1 22 22 GLY H H 1 7.42 0.03 . 1 . . . . . 22 GLY H . 52901 1 42 . 1 . 1 22 22 GLY N N 15 103.4 0.2 . 1 . . . . . 22 GLY N . 52901 1 43 . 1 . 1 23 23 ILE H H 1 7.37 0.03 . 1 . . . . . 23 ILE H . 52901 1 44 . 1 . 1 23 23 ILE N N 15 121.0 0.2 . 1 . . . . . 23 ILE N . 52901 1 45 . 1 . 1 24 24 SER H H 1 8.58 0.03 . 1 . . . . . 24 SER H . 52901 1 46 . 1 . 1 24 24 SER N N 15 122.4 0.2 . 1 . . . . . 24 SER N . 52901 1 47 . 1 . 1 25 25 SER H H 1 8.94 0.03 . 1 . . . . . 25 SER H . 52901 1 48 . 1 . 1 25 25 SER N N 15 119.4 0.2 . 1 . . . . . 25 SER N . 52901 1 49 . 1 . 1 26 26 ASP H H 1 8.65 0.03 . 1 . . . . . 26 ASP H . 52901 1 50 . 1 . 1 26 26 ASP N N 15 119.1 0.2 . 1 . . . . . 26 ASP N . 52901 1 51 . 1 . 1 27 27 VAL H H 1 7.33 0.03 . 1 . . . . . 27 VAL H . 52901 1 52 . 1 . 1 27 27 VAL N N 15 123.1 0.2 . 1 . . . . . 27 VAL N . 52901 1 53 . 1 . 1 28 28 ILE H H 1 8.27 0.03 . 1 . . . . . 28 ILE H . 52901 1 54 . 1 . 1 28 28 ILE N N 15 120.8 0.2 . 1 . . . . . 28 ILE N . 52901 1 55 . 1 . 1 29 29 GLU H H 1 7.65 0.03 . 1 . . . . . 29 GLU H . 52901 1 56 . 1 . 1 29 29 GLU N N 15 116.3 0.2 . 1 . . . . . 29 GLU N . 52901 1 57 . 1 . 1 30 30 LYS H H 1 7.81 0.03 . 1 . . . . . 30 LYS H . 52901 1 58 . 1 . 1 30 30 LYS N N 15 120.6 0.2 . 1 . . . . . 30 LYS N . 52901 1 59 . 1 . 1 31 31 ALA H H 1 8.34 0.03 . 1 . . . . . 31 ALA H . 52901 1 60 . 1 . 1 31 31 ALA N N 15 119.1 0.2 . 1 . . . . . 31 ALA N . 52901 1 61 . 1 . 1 32 32 ARG H H 1 7.22 0.03 . 1 . . . . . 32 ARG H . 52901 1 62 . 1 . 1 32 32 ARG N N 15 121.2 0.2 . 1 . . . . . 32 ARG N . 52901 1 63 . 1 . 1 34 34 PHE H H 1 8.05 0.03 . 1 . . . . . 34 PHE H . 52901 1 64 . 1 . 1 34 34 PHE N N 15 121.8 0.2 . 1 . . . . . 34 PHE N . 52901 1 65 . 1 . 1 35 35 LYS H H 1 7.92 0.03 . 1 . . . . . 35 LYS H . 52901 1 66 . 1 . 1 35 35 LYS N N 15 129.0 0.2 . 1 . . . . . 35 LYS N . 52901 1 67 . 1 . 1 36 36 ILE H H 1 7.67 0.03 . 1 . . . . . 36 ILE H . 52901 1 68 . 1 . 1 36 36 ILE N N 15 127.5 0.2 . 1 . . . . . 36 ILE N . 52901 1 69 . 1 . 1 37 37 VAL H H 1 8.31 0.03 . 1 . . . . . 37 VAL H . 52901 1 70 . 1 . 1 37 37 VAL N N 15 131.3 0.2 . 1 . . . . . 37 VAL N . 52901 1 71 . 1 . 1 38 38 THR H H 1 9.43 0.03 . 1 . . . . . 38 THR H . 52901 1 72 . 1 . 1 38 38 THR N N 15 127.4 0.2 . 1 . . . . . 38 THR N . 52901 1 73 . 1 . 1 39 39 GLU H H 1 9.46 0.03 . 1 . . . . . 39 GLU H . 52901 1 74 . 1 . 1 39 39 GLU N N 15 128.2 0.2 . 1 . . . . . 39 GLU N . 52901 1 75 . 1 . 1 40 40 VAL H H 1 9.43 0.03 . 1 . . . . . 40 VAL H . 52901 1 76 . 1 . 1 40 40 VAL N N 15 127.4 0.2 . 1 . . . . . 40 VAL N . 52901 1 77 . 1 . 1 41 41 GLN H H 1 8.95 0.03 . 1 . . . . . 41 GLN H . 52901 1 78 . 1 . 1 41 41 GLN N N 15 127.0 0.2 . 1 . . . . . 41 GLN N . 52901 1 79 . 1 . 1 42 42 GLN H H 1 8.28 0.03 . 1 . . . . . 42 GLN H . 52901 1 80 . 1 . 1 42 42 GLN N N 15 128.6 0.2 . 1 . . . . . 42 GLN N . 52901 1 81 . 1 . 1 43 43 ASP H H 1 8.86 0.03 . 1 . . . . . 43 ASP H . 52901 1 82 . 1 . 1 43 43 ASP N N 15 129.0 0.2 . 1 . . . . . 43 ASP N . 52901 1 83 . 1 . 1 44 44 GLY H H 1 8.87 0.03 . 1 . . . . . 44 GLY H . 52901 1 84 . 1 . 1 44 44 GLY N N 15 114.8 0.2 . 1 . . . . . 44 GLY N . 52901 1 85 . 1 . 1 45 45 GLN H H 1 8.99 0.03 . 1 . . . . . 45 GLN H . 52901 1 86 . 1 . 1 45 45 GLN N N 15 125.8 0.2 . 1 . . . . . 45 GLN N . 52901 1 87 . 1 . 1 46 46 ASP H H 1 8.05 0.03 . 1 . . . . . 46 ASP H . 52901 1 88 . 1 . 1 46 46 ASP N N 15 120.4 0.2 . 1 . . . . . 46 ASP N . 52901 1 89 . 1 . 1 47 47 PHE H H 1 9.25 0.03 . 1 . . . . . 47 PHE H . 52901 1 90 . 1 . 1 47 47 PHE N N 15 121.8 0.2 . 1 . . . . . 47 PHE N . 52901 1 91 . 1 . 1 48 48 THR H H 1 8.74 0.03 . 1 . . . . . 48 THR H . 52901 1 92 . 1 . 1 48 48 THR N N 15 117.7 0.2 . 1 . . . . . 48 THR N . 52901 1 93 . 1 . 1 49 49 TRP H H 1 9.81 0.03 . 1 . . . . . 49 TRP H . 52901 1 94 . 1 . 1 49 49 TRP N N 15 131.6 0.2 . 1 . . . . . 49 TRP N . 52901 1 95 . 1 . 1 50 50 SER H H 1 9.37 0.03 . 1 . . . . . 50 SER H . 52901 1 96 . 1 . 1 50 50 SER N N 15 127.0 0.2 . 1 . . . . . 50 SER N . 52901 1 97 . 1 . 1 53 53 TYR H H 1 8.66 0.03 . 1 . . . . . 53 TYR H . 52901 1 98 . 1 . 1 53 53 TYR N N 15 121.7 0.2 . 1 . . . . . 53 TYR N . 52901 1 99 . 1 . 1 54 54 SER H H 1 8.21 0.03 . 1 . . . . . 54 SER H . 52901 1 100 . 1 . 1 54 54 SER N N 15 117.6 0.2 . 1 . . . . . 54 SER N . 52901 1 101 . 1 . 1 55 55 GLY H H 1 8.45 0.03 . 1 . . . . . 55 GLY H . 52901 1 102 . 1 . 1 55 55 GLY N N 15 109.6 0.2 . 1 . . . . . 55 GLY N . 52901 1 103 . 1 . 1 56 56 GLY H H 1 8.06 0.03 . 1 . . . . . 56 GLY H . 52901 1 104 . 1 . 1 56 56 GLY N N 15 107.1 0.2 . 1 . . . . . 56 GLY N . 52901 1 105 . 1 . 1 58 58 THR H H 1 8.69 0.03 . 1 . . . . . 58 THR H . 52901 1 106 . 1 . 1 58 58 THR N N 15 118.0 0.2 . 1 . . . . . 58 THR N . 52901 1 107 . 1 . 1 59 59 MET H H 1 9.10 0.03 . 1 . . . . . 59 MET H . 52901 1 108 . 1 . 1 59 59 MET N N 15 127.0 0.2 . 1 . . . . . 59 MET N . 52901 1 109 . 1 . 1 60 60 THR H H 1 8.80 0.03 . 1 . . . . . 60 THR H . 52901 1 110 . 1 . 1 60 60 THR N N 15 120.8 0.2 . 1 . . . . . 60 THR N . 52901 1 111 . 1 . 1 61 61 ASN H H 1 9.00 0.03 . 1 . . . . . 61 ASN H . 52901 1 112 . 1 . 1 61 61 ASN N N 15 124.8 0.2 . 1 . . . . . 61 ASN N . 52901 1 113 . 1 . 1 62 62 LYS H H 1 9.28 0.03 . 1 . . . . . 62 LYS H . 52901 1 114 . 1 . 1 62 62 LYS N N 15 121.4 0.2 . 1 . . . . . 62 LYS N . 52901 1 115 . 1 . 1 63 63 PHE H H 1 8.29 0.03 . 1 . . . . . 63 PHE H . 52901 1 116 . 1 . 1 63 63 PHE N N 15 115.2 0.2 . 1 . . . . . 63 PHE N . 52901 1 117 . 1 . 1 64 64 THR H H 1 8.13 0.03 . 1 . . . . . 64 THR H . 52901 1 118 . 1 . 1 64 64 THR N N 15 118.5 0.2 . 1 . . . . . 64 THR N . 52901 1 119 . 1 . 1 65 65 VAL H H 1 9.28 0.03 . 1 . . . . . 65 VAL H . 52901 1 120 . 1 . 1 65 65 VAL N N 15 128.0 0.2 . 1 . . . . . 65 VAL N . 52901 1 121 . 1 . 1 66 66 GLY H H 1 9.20 0.03 . 1 . . . . . 66 GLY H . 52901 1 122 . 1 . 1 66 66 GLY N N 15 111.6 0.2 . 1 . . . . . 66 GLY N . 52901 1 123 . 1 . 1 67 67 LYS H H 1 7.92 0.03 . 1 . . . . . 67 LYS H . 52901 1 124 . 1 . 1 67 67 LYS N N 15 120.4 0.2 . 1 . . . . . 67 LYS N . 52901 1 125 . 1 . 1 68 68 GLU H H 1 8.83 0.03 . 1 . . . . . 68 GLU H . 52901 1 126 . 1 . 1 68 68 GLU N N 15 126.8 0.2 . 1 . . . . . 68 GLU N . 52901 1 127 . 1 . 1 69 69 SER H H 1 9.10 0.03 . 1 . . . . . 69 SER H . 52901 1 128 . 1 . 1 69 69 SER N N 15 122.9 0.2 . 1 . . . . . 69 SER N . 52901 1 129 . 1 . 1 70 70 ASN H H 1 8.76 0.03 . 1 . . . . . 70 ASN H . 52901 1 130 . 1 . 1 70 70 ASN N N 15 122.1 0.2 . 1 . . . . . 70 ASN N . 52901 1 131 . 1 . 1 71 71 ILE H H 1 8.98 0.03 . 1 . . . . . 71 ILE H . 52901 1 132 . 1 . 1 71 71 ILE N N 15 125.9 0.2 . 1 . . . . . 71 ILE N . 52901 1 133 . 1 . 1 72 72 GLN H H 1 9.00 0.03 . 1 . . . . . 72 GLN H . 52901 1 134 . 1 . 1 72 72 GLN N N 15 123.5 0.2 . 1 . . . . . 72 GLN N . 52901 1 135 . 1 . 1 73 73 THR H H 1 8.62 0.03 . 1 . . . . . 73 THR H . 52901 1 136 . 1 . 1 73 73 THR N N 15 111.1 0.2 . 1 . . . . . 73 THR N . 52901 1 137 . 1 . 1 74 74 MET H H 1 8.93 0.03 . 1 . . . . . 74 MET H . 52901 1 138 . 1 . 1 74 74 MET N N 15 121.5 0.2 . 1 . . . . . 74 MET N . 52901 1 139 . 1 . 1 75 75 GLY H H 1 8.04 0.03 . 1 . . . . . 75 GLY H . 52901 1 140 . 1 . 1 75 75 GLY N N 15 104.9 0.2 . 1 . . . . . 75 GLY N . 52901 1 141 . 1 . 1 76 76 GLY H H 1 7.74 0.03 . 1 . . . . . 76 GLY H . 52901 1 142 . 1 . 1 76 76 GLY N N 15 107.9 0.2 . 1 . . . . . 76 GLY N . 52901 1 143 . 1 . 1 77 77 LYS H H 1 7.56 0.03 . 1 . . . . . 77 LYS H . 52901 1 144 . 1 . 1 77 77 LYS N N 15 122.1 0.2 . 1 . . . . . 77 LYS N . 52901 1 145 . 1 . 1 78 78 THR H H 1 8.47 0.03 . 1 . . . . . 78 THR H . 52901 1 146 . 1 . 1 78 78 THR N N 15 118.1 0.2 . 1 . . . . . 78 THR N . 52901 1 147 . 1 . 1 79 79 PHE H H 1 9.18 0.03 . 1 . . . . . 79 PHE H . 52901 1 148 . 1 . 1 79 79 PHE N N 15 123.9 0.2 . 1 . . . . . 79 PHE N . 52901 1 149 . 1 . 1 80 80 LYS H H 1 8.43 0.03 . 1 . . . . . 80 LYS H . 52901 1 150 . 1 . 1 80 80 LYS N N 15 118.7 0.2 . 1 . . . . . 80 LYS N . 52901 1 151 . 1 . 1 81 81 ALA H H 1 8.87 0.03 . 1 . . . . . 81 ALA H . 52901 1 152 . 1 . 1 81 81 ALA N N 15 122.9 0.2 . 1 . . . . . 81 ALA N . 52901 1 153 . 1 . 1 82 82 THR H H 1 8.99 0.03 . 1 . . . . . 82 THR H . 52901 1 154 . 1 . 1 82 82 THR N N 15 118.6 0.2 . 1 . . . . . 82 THR N . 52901 1 155 . 1 . 1 83 83 VAL H H 1 9.55 0.03 . 1 . . . . . 83 VAL H . 52901 1 156 . 1 . 1 83 83 VAL N N 15 130.8 0.2 . 1 . . . . . 83 VAL N . 52901 1 157 . 1 . 1 84 84 GLN H H 1 8.32 0.03 . 1 . . . . . 84 GLN H . 52901 1 158 . 1 . 1 84 84 GLN N N 15 124.7 0.2 . 1 . . . . . 84 GLN N . 52901 1 159 . 1 . 1 85 85 MET H H 1 8.78 0.03 . 1 . . . . . 85 MET H . 52901 1 160 . 1 . 1 85 85 MET N N 15 120.3 0.2 . 1 . . . . . 85 MET N . 52901 1 161 . 1 . 1 86 86 GLU H H 1 9.10 0.03 . 1 . . . . . 86 GLU H . 52901 1 162 . 1 . 1 86 86 GLU N N 15 127.5 0.2 . 1 . . . . . 86 GLU N . 52901 1 163 . 1 . 1 87 87 GLY H H 1 9.29 0.03 . 1 . . . . . 87 GLY H . 52901 1 164 . 1 . 1 87 87 GLY N N 15 118.2 0.2 . 1 . . . . . 87 GLY N . 52901 1 165 . 1 . 1 88 88 GLY H H 1 8.75 0.03 . 1 . . . . . 88 GLY H . 52901 1 166 . 1 . 1 88 88 GLY N N 15 110.2 0.2 . 1 . . . . . 88 GLY N . 52901 1 167 . 1 . 1 89 89 LYS H H 1 7.89 0.03 . 1 . . . . . 89 LYS H . 52901 1 168 . 1 . 1 89 89 LYS N N 15 119.9 0.2 . 1 . . . . . 89 LYS N . 52901 1 169 . 1 . 1 90 90 LEU H H 1 9.01 0.03 . 1 . . . . . 90 LEU H . 52901 1 170 . 1 . 1 90 90 LEU N N 15 123.8 0.2 . 1 . . . . . 90 LEU N . 52901 1 171 . 1 . 1 91 91 VAL H H 1 8.78 0.03 . 1 . . . . . 91 VAL H . 52901 1 172 . 1 . 1 91 91 VAL N N 15 120.3 0.2 . 1 . . . . . 91 VAL N . 52901 1 173 . 1 . 1 93 93 ASN H H 1 8.04 0.03 . 1 . . . . . 93 ASN H . 52901 1 174 . 1 . 1 93 93 ASN N N 15 122.5 0.2 . 1 . . . . . 93 ASN N . 52901 1 175 . 1 . 1 94 94 PHE H H 1 9.07 0.03 . 1 . . . . . 94 PHE H . 52901 1 176 . 1 . 1 94 94 PHE N N 15 123.6 0.2 . 1 . . . . . 94 PHE N . 52901 1 177 . 1 . 1 96 96 ASN H H 1 8.79 0.03 . 1 . . . . . 96 ASN H . 52901 1 178 . 1 . 1 96 96 ASN N N 15 118.8 0.2 . 1 . . . . . 96 ASN N . 52901 1 179 . 1 . 1 97 97 TYR H H 1 7.82 0.03 . 1 . . . . . 97 TYR H . 52901 1 180 . 1 . 1 97 97 TYR N N 15 116.0 0.2 . 1 . . . . . 97 TYR N . 52901 1 181 . 1 . 1 98 98 HIS H H 1 7.84 0.03 . 1 . . . . . 98 HIS H . 52901 1 182 . 1 . 1 98 98 HIS N N 15 127.2 0.2 . 1 . . . . . 98 HIS N . 52901 1 183 . 1 . 1 99 99 GLN H H 1 7.90 0.03 . 1 . . . . . 99 GLN H . 52901 1 184 . 1 . 1 99 99 GLN N N 15 125.7 0.2 . 1 . . . . . 99 GLN N . 52901 1 185 . 1 . 1 100 100 THR H H 1 8.78 0.03 . 1 . . . . . 100 THR H . 52901 1 186 . 1 . 1 100 100 THR N N 15 114.6 0.2 . 1 . . . . . 100 THR N . 52901 1 187 . 1 . 1 101 101 SER H H 1 8.60 0.03 . 1 . . . . . 101 SER H . 52901 1 188 . 1 . 1 101 101 SER N N 15 116.6 0.2 . 1 . . . . . 101 SER N . 52901 1 189 . 1 . 1 102 102 GLU H H 1 9.10 0.03 . 1 . . . . . 102 GLU H . 52901 1 190 . 1 . 1 102 102 GLU N N 15 124.5 0.2 . 1 . . . . . 102 GLU N . 52901 1 191 . 1 . 1 103 103 ILE H H 1 8.42 0.03 . 1 . . . . . 103 ILE H . 52901 1 192 . 1 . 1 103 103 ILE N N 15 124.9 0.2 . 1 . . . . . 103 ILE N . 52901 1 193 . 1 . 1 104 104 VAL H H 1 9.13 0.03 . 1 . . . . . 104 VAL H . 52901 1 194 . 1 . 1 104 104 VAL N N 15 130.5 0.2 . 1 . . . . . 104 VAL N . 52901 1 195 . 1 . 1 105 105 GLY H H 1 9.24 0.03 . 1 . . . . . 105 GLY H . 52901 1 196 . 1 . 1 105 105 GLY N N 15 120.0 0.2 . 1 . . . . . 105 GLY N . 52901 1 197 . 1 . 1 106 106 ASP H H 1 8.68 0.03 . 1 . . . . . 106 ASP H . 52901 1 198 . 1 . 1 106 106 ASP N N 15 122.6 0.2 . 1 . . . . . 106 ASP N . 52901 1 199 . 1 . 1 107 107 LYS H H 1 7.79 0.03 . 1 . . . . . 107 LYS H . 52901 1 200 . 1 . 1 107 107 LYS N N 15 116.6 0.2 . 1 . . . . . 107 LYS N . 52901 1 201 . 1 . 1 108 108 LEU H H 1 8.54 0.03 . 1 . . . . . 108 LEU H . 52901 1 202 . 1 . 1 108 108 LEU N N 15 122.9 0.2 . 1 . . . . . 108 LEU N . 52901 1 203 . 1 . 1 109 109 VAL H H 1 9.62 0.03 . 1 . . . . . 109 VAL H . 52901 1 204 . 1 . 1 109 109 VAL N N 15 130.8 0.2 . 1 . . . . . 109 VAL N . 52901 1 205 . 1 . 1 110 110 GLU H H 1 9.19 0.03 . 1 . . . . . 110 GLU H . 52901 1 206 . 1 . 1 110 110 GLU N N 15 130.3 0.2 . 1 . . . . . 110 GLU N . 52901 1 207 . 1 . 1 111 111 VAL H H 1 8.81 0.03 . 1 . . . . . 111 VAL H . 52901 1 208 . 1 . 1 111 111 VAL N N 15 125.5 0.2 . 1 . . . . . 111 VAL N . 52901 1 209 . 1 . 1 112 112 SER H H 1 9.11 0.03 . 1 . . . . . 112 SER H . 52901 1 210 . 1 . 1 112 112 SER N N 15 125.9 0.2 . 1 . . . . . 112 SER N . 52901 1 211 . 1 . 1 113 113 THR H H 1 9.16 0.03 . 1 . . . . . 113 THR H . 52901 1 212 . 1 . 1 113 113 THR N N 15 119.8 0.2 . 1 . . . . . 113 THR N . 52901 1 213 . 1 . 1 114 114 ILE H H 1 8.75 0.03 . 1 . . . . . 114 ILE H . 52901 1 214 . 1 . 1 114 114 ILE N N 15 128.2 0.2 . 1 . . . . . 114 ILE N . 52901 1 215 . 1 . 1 115 115 GLY H H 1 8.45 0.03 . 1 . . . . . 115 GLY H . 52901 1 216 . 1 . 1 115 115 GLY N N 15 115.4 0.2 . 1 . . . . . 115 GLY N . 52901 1 217 . 1 . 1 116 116 GLY H H 1 8.55 0.03 . 1 . . . . . 116 GLY H . 52901 1 218 . 1 . 1 116 116 GLY N N 15 109.7 0.2 . 1 . . . . . 116 GLY N . 52901 1 219 . 1 . 1 117 117 VAL H H 1 8.42 0.03 . 1 . . . . . 117 VAL H . 52901 1 220 . 1 . 1 117 117 VAL N N 15 124.9 0.2 . 1 . . . . . 117 VAL N . 52901 1 221 . 1 . 1 118 118 THR H H 1 8.72 0.03 . 1 . . . . . 118 THR H . 52901 1 222 . 1 . 1 118 118 THR N N 15 124.1 0.2 . 1 . . . . . 118 THR N . 52901 1 223 . 1 . 1 119 119 TYR H H 1 9.56 0.03 . 1 . . . . . 119 TYR H . 52901 1 224 . 1 . 1 119 119 TYR N N 15 132.4 0.2 . 1 . . . . . 119 TYR N . 52901 1 225 . 1 . 1 120 120 GLU H H 1 6.99 0.03 . 1 . . . . . 120 GLU H . 52901 1 226 . 1 . 1 120 120 GLU N N 15 125.3 0.2 . 1 . . . . . 120 GLU N . 52901 1 227 . 1 . 1 121 121 ARG H H 1 8.95 0.03 . 1 . . . . . 121 ARG H . 52901 1 228 . 1 . 1 121 121 ARG N N 15 124.1 0.2 . 1 . . . . . 121 ARG N . 52901 1 229 . 1 . 1 122 122 VAL H H 1 8.89 0.03 . 1 . . . . . 122 VAL H . 52901 1 230 . 1 . 1 122 122 VAL N N 15 128.8 0.2 . 1 . . . . . 122 VAL N . 52901 1 231 . 1 . 1 123 123 SER H H 1 9.68 0.03 . 1 . . . . . 123 SER H . 52901 1 232 . 1 . 1 123 123 SER N N 15 123.9 0.2 . 1 . . . . . 123 SER N . 52901 1 233 . 1 . 1 124 124 LYS H H 1 8.87 0.03 . 1 . . . . . 124 LYS H . 52901 1 234 . 1 . 1 124 124 LYS N N 15 125.3 0.2 . 1 . . . . . 124 LYS N . 52901 1 235 . 1 . 1 125 125 ARG H H 1 9.10 0.03 . 1 . . . . . 125 ARG H . 52901 1 236 . 1 . 1 125 125 ARG N N 15 124.8 0.2 . 1 . . . . . 125 ARG N . 52901 1 237 . 1 . 1 126 126 LEU H H 1 9.26 0.03 . 1 . . . . . 126 LEU H . 52901 1 238 . 1 . 1 126 126 LEU N N 15 128.5 0.2 . 1 . . . . . 126 LEU N . 52901 1 239 . 1 . 1 127 127 ALA H H 1 7.92 0.03 . 1 . . . . . 127 ALA H . 52901 1 240 . 1 . 1 127 127 ALA N N 15 129.0 0.2 . 1 . . . . . 127 ALA N . 52901 1 stop_ save_