################################### # 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 27047 _Assigned_chem_shift_list.ID 1 _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 '3D CBCA(CO)NH' . . . 27047 1 2 '3D HNCACB' . . . 27047 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 $SPARKY . . 27047 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.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 61 61 GLU H H 1 8.082 0.02 . 1 . . . . 61 GLU HN . 27047 1 2 . 1 1 61 61 GLU N N 15 121.265 0.2 . 1 . . . . 61 GLU N . 27047 1 3 . 1 1 62 62 ASP H H 1 7.940 0.02 . 1 . . . . 62 ASP HN . 27047 1 4 . 1 1 62 62 ASP N N 15 119.480 0.2 . 1 . . . . 62 ASP N . 27047 1 5 . 1 1 63 63 ARG H H 1 8.020 0.02 . 1 . . . . 63 ARG HN . 27047 1 6 . 1 1 63 63 ARG N N 15 120.260 0.2 . 1 . . . . 63 ARG N . 27047 1 7 . 1 1 64 64 TYR H H 1 8.386 0.02 . 1 . . . . 64 TYR HN . 27047 1 8 . 1 1 64 64 TYR N N 15 121.305 0.2 . 1 . . . . 64 TYR N . 27047 1 9 . 1 1 65 65 TYR H H 1 8.848 0.02 . 1 . . . . 65 TYR HN . 27047 1 10 . 1 1 65 65 TYR N N 15 119.647 0.2 . 1 . . . . 65 TYR N . 27047 1 11 . 1 1 66 66 ARG H H 1 7.684 0.02 . 1 . . . . 66 ARG HN . 27047 1 12 . 1 1 66 66 ARG N N 15 116.950 0.2 . 1 . . . . 66 ARG N . 27047 1 13 . 1 1 67 67 GLU H H 1 7.849 0.02 . 1 . . . . 67 GLU HN . 27047 1 14 . 1 1 67 67 GLU N N 15 115.675 0.2 . 1 . . . . 67 GLU N . 27047 1 15 . 1 1 68 68 ASN H H 1 7.440 0.02 . 1 . . . . 68 ASN HN . 27047 1 16 . 1 1 68 68 ASN N N 15 115.553 0.2 . 1 . . . . 68 ASN N . 27047 1 17 . 1 1 69 69 MET H H 1 7.500 0.02 . 1 . . . . 69 MET HN . 27047 1 18 . 1 1 69 69 MET N N 15 118.199 0.2 . 1 . . . . 69 MET N . 27047 1 19 . 1 1 71 71 ARG H H 1 8.073 0.02 . 1 . . . . 71 ARG HN . 27047 1 20 . 1 1 71 71 ARG N N 15 117.809 0.2 . 1 . . . . 71 ARG N . 27047 1 21 . 1 1 72 72 TYR H H 1 7.338 0.02 . 1 . . . . 72 TYR HN . 27047 1 22 . 1 1 72 72 TYR N N 15 120.061 0.2 . 1 . . . . 72 TYR N . 27047 1 23 . 1 1 74 74 ASN H H 1 8.530 0.02 . 1 . . . . 74 ASN HN . 27047 1 24 . 1 1 74 74 ASN N N 15 117.045 0.2 . 1 . . . . 74 ASN N . 27047 1 25 . 1 1 75 75 GLN H H 1 7.300 0.02 . 1 . . . . 75 GLN HN . 27047 1 26 . 1 1 75 75 GLN N N 15 114.970 0.2 . 1 . . . . 75 GLN N . 27047 1 27 . 1 1 76 76 VAL H H 1 8.383 0.02 . 1 . . . . 76 VAL HN . 27047 1 28 . 1 1 76 76 VAL N N 15 112.637 0.2 . 1 . . . . 76 VAL N . 27047 1 29 . 1 1 78 78 TYR H H 1 8.419 0.02 . 1 . . . . 78 TYR HN . 27047 1 30 . 1 1 78 78 TYR N N 15 111.268 0.2 . 1 . . . . 78 TYR N . 27047 1 31 . 1 1 79 79 ARG H H 1 7.990 0.02 . 1 . . . . 79 ARG HN . 27047 1 32 . 1 1 79 79 ARG N N 15 120.490 0.2 . 1 . . . . 79 ARG N . 27047 1 33 . 1 1 92 92 HIS H H 1 8.460 0.02 . 1 . . . . 92 HIS HN . 27047 1 34 . 1 1 92 92 HIS N N 15 116.770 0.2 . 1 . . . . 92 HIS N . 27047 1 35 . 1 1 93 93 ASP H H 1 7.619 0.02 . 1 . . . . 93 ASP HN . 27047 1 36 . 1 1 93 93 ASP N N 15 118.780 0.2 . 1 . . . . 93 ASP N . 27047 1 37 . 1 1 94 94 CYS H H 1 8.049 0.02 . 1 . . . . 94 CYS HN . 27047 1 38 . 1 1 94 94 CYS N N 15 118.787 0.2 . 1 . . . . 94 CYS N . 27047 1 39 . 1 1 95 95 VAL H H 1 9.196 0.02 . 1 . . . . 95 VAL HN . 27047 1 40 . 1 1 95 95 VAL N N 15 125.497 0.2 . 1 . . . . 95 VAL N . 27047 1 41 . 1 1 96 96 ASN H H 1 7.606 0.02 . 1 . . . . 96 ASN HN . 27047 1 42 . 1 1 96 96 ASN N N 15 116.383 0.2 . 1 . . . . 96 ASN N . 27047 1 43 . 1 1 97 97 ILE H H 1 8.769 0.02 . 1 . . . . 97 ILE HN . 27047 1 44 . 1 1 97 97 ILE N N 15 119.126 0.2 . 1 . . . . 97 ILE N . 27047 1 45 . 1 1 98 98 THR H H 1 8.290 0.02 . 1 . . . . 98 THR HN . 27047 1 46 . 1 1 98 98 THR N N 15 118.170 0.2 . 1 . . . . 98 THR N . 27047 1 47 . 1 1 99 99 ILE H H 1 8.465 0.02 . 1 . . . . 99 ILE HN . 27047 1 48 . 1 1 99 99 ILE N N 15 120.861 0.2 . 1 . . . . 99 ILE N . 27047 1 49 . 1 1 100 100 LYS H H 1 8.081 0.02 . 1 . . . . 100 LYS HN . 27047 1 50 . 1 1 100 100 LYS N N 15 123.198 0.2 . 1 . . . . 100 LYS N . 27047 1 51 . 1 1 117 117 ASP H H 1 7.548 0.02 . 1 . . . . 117 ASP HN . 27047 1 52 . 1 1 117 117 ASP N N 15 119.285 0.2 . 1 . . . . 117 ASP N . 27047 1 53 . 1 1 118 118 ILE H H 1 8.126 0.02 . 1 . . . . 118 ILE HN . 27047 1 54 . 1 1 118 118 ILE N N 15 118.807 0.2 . 1 . . . . 118 ILE N . 27047 1 55 . 1 1 119 119 LYS H H 1 7.880 0.02 . 1 . . . . 119 LYS HN . 27047 1 56 . 1 1 119 119 LYS N N 15 119.590 0.2 . 1 . . . . 119 LYS N . 27047 1 57 . 1 1 120 120 ILE H H 1 8.000 0.02 . 1 . . . . 120 ILE HN . 27047 1 58 . 1 1 120 120 ILE N N 15 119.910 0.2 . 1 . . . . 120 ILE N . 27047 1 59 . 1 1 121 121 MET H H 1 8.841 0.02 . 1 . . . . 121 MET HN . 27047 1 60 . 1 1 121 121 MET N N 15 119.296 0.2 . 1 . . . . 121 MET N . 27047 1 61 . 1 1 122 122 GLU H H 1 8.687 0.02 . 1 . . . . 122 GLU HN . 27047 1 62 . 1 1 122 122 GLU N N 15 118.238 0.2 . 1 . . . . 122 GLU N . 27047 1 63 . 1 1 123 123 ARG H H 1 7.061 0.02 . 1 . . . . 123 ARG HN . 27047 1 64 . 1 1 123 123 ARG N N 15 117.020 0.2 . 1 . . . . 123 ARG N . 27047 1 65 . 1 1 124 124 VAL H H 1 8.369 0.02 . 1 . . . . 124 VAL HN . 27047 1 66 . 1 1 124 124 VAL N N 15 120.764 0.2 . 1 . . . . 124 VAL N . 27047 1 67 . 1 1 125 125 VAL H H 1 9.336 0.02 . 1 . . . . 125 VAL HN . 27047 1 68 . 1 1 125 125 VAL N N 15 120.319 0.2 . 1 . . . . 125 VAL N . 27047 1 69 . 1 1 126 126 GLU H H 1 7.923 0.02 . 1 . . . . 126 GLU HN . 27047 1 70 . 1 1 126 126 GLU N N 15 122.030 0.2 . 1 . . . . 126 GLU N . 27047 1 71 . 1 1 127 127 GLN H H 1 7.389 0.02 . 1 . . . . 127 GLN HN . 27047 1 72 . 1 1 127 127 GLN N N 15 120.911 0.2 . 1 . . . . 127 GLN N . 27047 1 73 . 1 1 129 129 CYS H H 1 9.472 0.02 . 1 . . . . 129 CYS HN . 27047 1 74 . 1 1 129 129 CYS N N 15 118.179 0.2 . 1 . . . . 129 CYS N . 27047 1 75 . 1 1 130 130 THR H H 1 8.175 0.02 . 1 . . . . 130 THR HN . 27047 1 76 . 1 1 130 130 THR N N 15 120.321 0.2 . 1 . . . . 130 THR N . 27047 1 77 . 1 1 131 131 THR H H 1 8.287 0.02 . 1 . . . . 131 THR HN . 27047 1 78 . 1 1 131 131 THR N N 15 121.111 0.2 . 1 . . . . 131 THR N . 27047 1 79 . 1 1 132 132 GLN H H 1 8.528 0.02 . 1 . . . . 132 GLN HN . 27047 1 80 . 1 1 132 132 GLN N N 15 122.435 0.2 . 1 . . . . 132 GLN N . 27047 1 81 . 1 1 133 133 TYR H H 1 8.391 0.02 . 1 . . . . 133 TYR HN . 27047 1 82 . 1 1 133 133 TYR N N 15 119.602 0.2 . 1 . . . . 133 TYR N . 27047 1 83 . 1 1 134 134 GLN H H 1 7.980 0.02 . 1 . . . . 134 GLN HN . 27047 1 84 . 1 1 134 134 GLN N N 15 119.660 0.2 . 1 . . . . 134 GLN N . 27047 1 85 . 1 1 135 135 LYS H H 1 7.940 0.02 . 1 . . . . 135 LYS HN . 27047 1 86 . 1 1 135 135 LYS N N 15 119.170 0.2 . 1 . . . . 135 LYS N . 27047 1 87 . 1 1 136 136 GLU H H 1 8.300 0.02 . 1 . . . . 136 GLU HN . 27047 1 88 . 1 1 136 136 GLU N N 15 117.910 0.2 . 1 . . . . 136 GLU N . 27047 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27047 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 3 '2D 1H-15N HSQC' . . . 27047 2 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.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 61 61 GLU H H 1 8.082 0.02 . 1 . . . . 61 GLU HN . 27047 2 2 . 1 1 61 61 GLU N N 15 121.265 0.2 . 1 . . . . 61 GLU N . 27047 2 3 . 1 1 62 62 ASP H H 1 7.940 0.02 . 1 . . . . 62 ASP HN . 27047 2 4 . 1 1 62 62 ASP N N 15 119.480 0.2 . 1 . . . . 62 ASP N . 27047 2 5 . 1 1 63 63 ARG H H 1 8.020 0.02 . 1 . . . . 63 ARG HN . 27047 2 6 . 1 1 63 63 ARG N N 15 120.260 0.2 . 1 . . . . 63 ARG N . 27047 2 7 . 1 1 64 64 TYR H H 1 8.367 0.02 . 1 . . . . 64 TYR HN . 27047 2 8 . 1 1 64 64 TYR N N 15 121.337 0.2 . 1 . . . . 64 TYR N . 27047 2 9 . 1 1 65 65 TYR H H 1 8.896 0.02 . 1 . . . . 65 TYR HN . 27047 2 10 . 1 1 65 65 TYR N N 15 119.615 0.2 . 1 . . . . 65 TYR N . 27047 2 11 . 1 1 66 66 ARG H H 1 7.725 0.02 . 1 . . . . 66 ARG HN . 27047 2 12 . 1 1 66 66 ARG N N 15 117.077 0.2 . 1 . . . . 66 ARG N . 27047 2 13 . 1 1 67 67 GLU H H 1 7.906 0.02 . 1 . . . . 67 GLU HN . 27047 2 14 . 1 1 67 67 GLU N N 15 115.707 0.2 . 1 . . . . 67 GLU N . 27047 2 15 . 1 1 68 68 ASN H H 1 7.492 0.02 . 1 . . . . 68 ASN HN . 27047 2 16 . 1 1 68 68 ASN N N 15 115.712 0.2 . 1 . . . . 68 ASN N . 27047 2 17 . 1 1 69 69 MET H H 1 7.525 0.02 . 1 . . . . 69 MET HN . 27047 2 18 . 1 1 69 69 MET N N 15 118.151 0.2 . 1 . . . . 69 MET N . 27047 2 19 . 1 1 71 71 ARG H H 1 8.073 0.02 . 1 . . . . 71 ARG HN . 27047 2 20 . 1 1 71 71 ARG N N 15 117.809 0.2 . 1 . . . . 71 ARG N . 27047 2 21 . 1 1 72 72 TYR H H 1 7.387 0.02 . 1 . . . . 72 TYR HN . 27047 2 22 . 1 1 72 72 TYR N N 15 120.140 0.2 . 1 . . . . 72 TYR N . 27047 2 23 . 1 1 74 74 ASN H H 1 8.547 0.02 . 1 . . . . 74 ASN HN . 27047 2 24 . 1 1 74 74 ASN N N 15 116.966 0.2 . 1 . . . . 74 ASN N . 27047 2 25 . 1 1 75 75 GLN H H 1 7.300 0.02 . 1 . . . . 75 GLN HN . 27047 2 26 . 1 1 75 75 GLN N N 15 114.970 0.2 . 1 . . . . 75 GLN N . 27047 2 27 . 1 1 76 76 VAL H H 1 8.404 0.02 . 1 . . . . 76 VAL HN . 27047 2 28 . 1 1 76 76 VAL N N 15 112.558 0.2 . 1 . . . . 76 VAL N . 27047 2 29 . 1 1 77 77 TYR H H 1 8.446 0.02 . 1 . . . . 77 TYR HN . 27047 2 30 . 1 1 77 77 TYR N N 15 121.302 0.2 . 1 . . . . 77 TYR N . 27047 2 31 . 1 1 78 78 TYR H H 1 8.462 0.02 . 1 . . . . 78 TYR HN . 27047 2 32 . 1 1 78 78 TYR N N 15 111.395 0.2 . 1 . . . . 78 TYR N . 27047 2 33 . 1 1 79 79 ARG H H 1 7.990 0.02 . 1 . . . . 79 ARG HN . 27047 2 34 . 1 1 79 79 ARG N N 15 120.490 0.2 . 1 . . . . 79 ARG N . 27047 2 35 . 1 1 92 92 HIS H H 1 8.460 0.02 . 1 . . . . 92 HIS HN . 27047 2 36 . 1 1 92 92 HIS N N 15 116.770 0.2 . 1 . . . . 92 HIS N . 27047 2 37 . 1 1 93 93 ASP H H 1 7.619 0.02 . 1 . . . . 93 ASP HN . 27047 2 38 . 1 1 93 93 ASP N N 15 118.780 0.2 . 1 . . . . 93 ASP N . 27047 2 39 . 1 1 94 94 CYS H H 1 8.100 0.02 . 1 . . . . 94 CYS HN . 27047 2 40 . 1 1 94 94 CYS N N 15 119.025 0.2 . 1 . . . . 94 CYS N . 27047 2 41 . 1 1 95 95 VAL H H 1 9.175 0.02 . 1 . . . . 95 VAL HN . 27047 2 42 . 1 1 95 95 VAL N N 15 125.354 0.2 . 1 . . . . 95 VAL N . 27047 2 43 . 1 1 96 96 ASN H H 1 7.647 0.02 . 1 . . . . 96 ASN HN . 27047 2 44 . 1 1 96 96 ASN N N 15 116.478 0.2 . 1 . . . . 96 ASN N . 27047 2 45 . 1 1 97 97 ILE H H 1 8.796 0.02 . 1 . . . . 97 ILE HN . 27047 2 46 . 1 1 97 97 ILE N N 15 118.983 0.2 . 1 . . . . 97 ILE N . 27047 2 47 . 1 1 98 98 THR H H 1 8.290 0.02 . 1 . . . . 98 THR HN . 27047 2 48 . 1 1 98 98 THR N N 15 118.170 0.2 . 1 . . . . 98 THR N . 27047 2 49 . 1 1 99 99 ILE H H 1 8.514 0.02 . 1 . . . . 99 ILE HN . 27047 2 50 . 1 1 99 99 ILE N N 15 120.893 0.2 . 1 . . . . 99 ILE N . 27047 2 51 . 1 1 100 100 LYS H H 1 8.110 0.02 . 1 . . . . 100 LYS HN . 27047 2 52 . 1 1 100 100 LYS N N 15 123.103 0.2 . 1 . . . . 100 LYS N . 27047 2 53 . 1 1 117 117 ASP H H 1 7.548 0.02 . 1 . . . . 117 ASP HN . 27047 2 54 . 1 1 117 117 ASP N N 15 119.285 0.2 . 1 . . . . 117 ASP N . 27047 2 55 . 1 1 118 118 ILE H H 1 8.167 0.02 . 1 . . . . 118 ILE HN . 27047 2 56 . 1 1 118 118 ILE N N 15 118.966 0.2 . 1 . . . . 118 ILE N . 27047 2 57 . 1 1 119 119 LYS H H 1 7.880 0.02 . 1 . . . . 119 LYS HN . 27047 2 58 . 1 1 119 119 LYS N N 15 119.590 0.2 . 1 . . . . 119 LYS N . 27047 2 59 . 1 1 120 120 ILE H H 1 8.000 0.02 . 1 . . . . 120 ILE HN . 27047 2 60 . 1 1 120 120 ILE N N 15 119.910 0.2 . 1 . . . . 120 ILE N . 27047 2 61 . 1 1 121 121 MET H H 1 8.841 0.02 . 1 . . . . 121 MET HN . 27047 2 62 . 1 1 121 121 MET N N 15 119.296 0.2 . 1 . . . . 121 MET N . 27047 2 63 . 1 1 122 122 GLU H H 1 8.731 0.02 . 1 . . . . 122 GLU HN . 27047 2 64 . 1 1 122 122 GLU N N 15 118.286 0.2 . 1 . . . . 122 GLU N . 27047 2 65 . 1 1 123 123 ARG H H 1 7.121 0.02 . 1 . . . . 123 ARG HN . 27047 2 66 . 1 1 123 123 ARG N N 15 116.972 0.2 . 1 . . . . 123 ARG N . 27047 2 67 . 1 1 124 124 VAL H H 1 8.402 0.02 . 1 . . . . 124 VAL HN . 27047 2 68 . 1 1 124 124 VAL N N 15 120.716 0.2 . 1 . . . . 124 VAL N . 27047 2 69 . 1 1 125 125 VAL H H 1 9.369 0.02 . 1 . . . . 125 VAL HN . 27047 2 70 . 1 1 125 125 VAL N N 15 120.382 0.2 . 1 . . . . 125 VAL N . 27047 2 71 . 1 1 126 126 GLU H H 1 7.998 0.02 . 1 . . . . 126 GLU HN . 27047 2 72 . 1 1 126 126 GLU N N 15 122.078 0.2 . 1 . . . . 126 GLU N . 27047 2 73 . 1 1 127 127 GLN H H 1 7.435 0.02 . 1 . . . . 127 GLN HN . 27047 2 74 . 1 1 127 127 GLN N N 15 120.800 0.2 . 1 . . . . 127 GLN N . 27047 2 75 . 1 1 128 128 MET H H 1 8.290 0.02 . 1 . . . . 128 MET HN . 27047 2 76 . 1 1 128 128 MET N N 15 120.580 0.2 . 1 . . . . 128 MET N . 27047 2 77 . 1 1 129 129 CYS H H 1 9.516 0.02 . 1 . . . . 129 CYS HN . 27047 2 78 . 1 1 129 129 CYS N N 15 118.290 0.2 . 1 . . . . 129 CYS N . 27047 2 79 . 1 1 130 130 THR H H 1 8.220 0.02 . 1 . . . . 130 THR HN . 27047 2 80 . 1 1 130 130 THR N N 15 120.312 0.2 . 1 . . . . 130 THR N . 27047 2 81 . 1 1 131 131 THR H H 1 8.319 0.02 . 1 . . . . 131 THR HN . 27047 2 82 . 1 1 131 131 THR N N 15 121.063 0.2 . 1 . . . . 131 THR N . 27047 2 83 . 1 1 132 132 GLN H H 1 8.560 0.02 . 1 . . . . 132 GLN HN . 27047 2 84 . 1 1 132 132 GLN N N 15 122.467 0.2 . 1 . . . . 132 GLN N . 27047 2 85 . 1 1 133 133 TYR H H 1 8.420 0.02 . 1 . . . . 133 TYR HN . 27047 2 86 . 1 1 133 133 TYR N N 15 119.554 0.2 . 1 . . . . 133 TYR N . 27047 2 87 . 1 1 134 134 GLN H H 1 7.980 0.02 . 1 . . . . 134 GLN HN . 27047 2 88 . 1 1 134 134 GLN N N 15 119.660 0.2 . 1 . . . . 134 GLN N . 27047 2 89 . 1 1 135 135 LYS H H 1 7.940 0.02 . 1 . . . . 135 LYS HN . 27047 2 90 . 1 1 135 135 LYS N N 15 119.170 0.2 . 1 . . . . 135 LYS N . 27047 2 91 . 1 1 136 136 GLU H H 1 8.300 0.02 . 1 . . . . 136 GLU HN . 27047 2 92 . 1 1 136 136 GLU N N 15 117.910 0.2 . 1 . . . . 136 GLU N . 27047 2 stop_ save_