################################### # 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 15379 _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 2 '3D HNCO' . . . 15379 1 3 '3D HNCACB' . . . 15379 1 4 '3D CBCA(CO)NH' . . . 15379 1 5 '3D HN(COCA)CB' . . . 15379 1 6 HN(CA)NH . . . 15379 1 7 CT-HNCA . . . 15379 1 8 HN(CA)CO . . . 15379 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 $ANSIG . . 15379 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 4 4 SER H H 1 7.999 0.008 . . . . . . 4 SER H . 15379 1 2 . 1 1 4 4 SER N N 15 113.901 0.02 . . . . . . 4 SER N . 15379 1 3 . 1 1 5 5 ASN H H 1 8.228 0.008 . . . . . . 5 ASN H . 15379 1 4 . 1 1 5 5 ASN N N 15 120.177 0.02 . . . . . . 5 ASN N . 15379 1 5 . 1 1 7 7 GLY H H 1 8.185 0.008 . . . . . . 7 GLY H . 15379 1 6 . 1 1 7 7 GLY N N 15 107.151 0.02 . . . . . . 7 GLY N . 15379 1 7 . 1 1 8 8 ASN H H 1 8.113 0.008 . . . . . . 8 ASN H . 15379 1 8 . 1 1 8 8 ASN N N 15 117.832 0.02 . . . . . . 8 ASN N . 15379 1 9 . 1 1 9 9 ASN H H 1 8.241 0.008 . . . . . . 9 ASN H . 15379 1 10 . 1 1 9 9 ASN N N 15 118.991 0.02 . . . . . . 9 ASN N . 15379 1 11 . 1 1 11 11 GLN H H 1 7.958 0.008 . . . . . . 11 GLN H . 15379 1 12 . 1 1 11 11 GLN N N 15 118.199 0.02 . . . . . . 11 GLN N . 15379 1 13 . 1 1 15 15 GLN H H 1 7.943 0.008 . . . . . . 15 GLN H . 15379 1 14 . 1 1 15 15 GLN N N 15 119.035 0.02 . . . . . . 15 GLN N . 15379 1 15 . 1 1 16 16 TYR H H 1 7.942 0.008 . . . . . . 16 TYR H . 15379 1 16 . 1 1 16 16 TYR N N 15 118.423 0.02 . . . . . . 16 TYR N . 15379 1 17 . 1 1 17 17 SER H H 1 8.125 0.008 . . . . . . 17 SER H . 15379 1 18 . 1 1 17 17 SER N N 15 115.001 0.02 . . . . . . 17 SER N . 15379 1 19 . 1 1 18 18 GLN H H 1 8.144 0.008 . . . . . . 18 GLN H . 15379 1 20 . 1 1 18 18 GLN N N 15 120.658 0.02 . . . . . . 18 GLN N . 15379 1 21 . 1 1 19 19 ASN H H 1 8.138 0.008 . . . . . . 19 ASN H . 15379 1 22 . 1 1 19 19 ASN N N 15 118.33 0.02 . . . . . . 19 ASN N . 15379 1 23 . 1 1 22 22 GLN H H 1 8.09 0.008 . . . . . . 22 GLN H . 15379 1 24 . 1 1 22 22 GLN N N 15 118.997 0.02 . . . . . . 22 GLN N . 15379 1 25 . 1 1 23 23 GLN H H 1 8.008 0.008 . . . . . . 23 GLN H . 15379 1 26 . 1 1 23 23 GLN N N 15 118.731 0.02 . . . . . . 23 GLN N . 15379 1 27 . 1 1 24 24 GLN H H 1 7.972 0.008 . . . . . . 24 GLN H . 15379 1 28 . 1 1 24 24 GLN N N 15 118.928 0.02 . . . . . . 24 GLN N . 15379 1 29 . 1 1 25 25 GLY H H 1 8.131 0.008 . . . . . . 25 GLY H . 15379 1 30 . 1 1 25 25 GLY N N 15 107.437 0.02 . . . . . . 25 GLY N . 15379 1 31 . 1 1 26 26 ASN H H 1 8.161 0.008 . . . . . . 26 ASN H . 15379 1 32 . 1 1 26 26 ASN N N 15 118.157 0.02 . . . . . . 26 ASN N . 15379 1 33 . 1 1 27 27 ASN H H 1 8.199 0.008 . . . . . . 27 ASN H . 15379 1 34 . 1 1 27 27 ASN N N 15 118.866 0.02 . . . . . . 27 ASN N . 15379 1 35 . 1 1 30 30 GLN H H 1 7.911 0.008 . . . . . . 30 GLN H . 15379 1 36 . 1 1 30 30 GLN N N 15 119.052 0.02 . . . . . . 30 GLN N . 15379 1 37 . 1 1 31 31 GLY H H 1 7.948 0.008 . . . . . . 31 GLY H . 15379 1 38 . 1 1 31 31 GLY N N 15 107.363 0.02 . . . . . . 31 GLY N . 15379 1 39 . 1 1 33 33 GLN H H 1 8.244 0.008 . . . . . . 33 GLN H . 15379 1 40 . 1 1 33 33 GLN N N 15 119.607 0.02 . . . . . . 33 GLN N . 15379 1 41 . 1 1 34 34 ALA H H 1 7.956 0.008 . . . . . . 34 ALA H . 15379 1 42 . 1 1 34 34 ALA N N 15 122.342 0.02 . . . . . . 34 ALA N . 15379 1 43 . 1 1 35 35 TYR H H 1 7.879 0.008 . . . . . . 35 TYR H . 15379 1 44 . 1 1 35 35 TYR N N 15 116.5 0.02 . . . . . . 35 TYR N . 15379 1 45 . 1 1 36 36 ASN H H 1 8.227 0.008 . . . . . . 36 ASN H . 15379 1 46 . 1 1 36 36 ASN N N 15 118.888 0.02 . . . . . . 36 ASN N . 15379 1 47 . 1 1 37 37 ALA H H 1 8.08 0.008 . . . . . . 37 ALA H . 15379 1 48 . 1 1 37 37 ALA N N 15 122.743 0.02 . . . . . . 37 ALA N . 15379 1 49 . 1 1 38 38 GLN H H 1 7.99 0.008 . . . . . . 38 GLN H . 15379 1 50 . 1 1 38 38 GLN N N 15 116.286 0.02 . . . . . . 38 GLN N . 15379 1 51 . 1 1 39 39 ALA H H 1 7.773 0.008 . . . . . . 39 ALA H . 15379 1 52 . 1 1 39 39 ALA N N 15 121.483 0.02 . . . . . . 39 ALA N . 15379 1 53 . 1 1 42 42 ALA H H 1 8.152 0.008 . . . . . . 42 ALA H . 15379 1 54 . 1 1 42 42 ALA N N 15 121.588 0.02 . . . . . . 42 ALA N . 15379 1 55 . 1 1 43 43 GLY H H 1 8.047 0.008 . . . . . . 43 GLY H . 15379 1 56 . 1 1 43 43 GLY N N 15 105.532 0.02 . . . . . . 43 GLY N . 15379 1 57 . 1 1 44 44 GLY H H 1 7.976 0.008 . . . . . . 44 GLY H . 15379 1 58 . 1 1 44 44 GLY N N 15 106.222 0.02 . . . . . . 44 GLY N . 15379 1 59 . 1 1 45 45 TYR H H 1 7.999 0.008 . . . . . . 45 TYR H . 15379 1 60 . 1 1 45 45 TYR N N 15 117.975 0.02 . . . . . . 45 TYR N . 15379 1 61 . 1 1 51 51 GLY H H 1 7.905 0.008 . . . . . . 51 GLY H . 15379 1 62 . 1 1 51 51 GLY N N 15 107.076 0.02 . . . . . . 51 GLY N . 15379 1 63 . 1 1 53 53 SER H H 1 8.194 0.008 . . . . . . 53 SER H . 15379 1 64 . 1 1 53 53 SER N N 15 115.483 0.02 . . . . . . 53 SER N . 15379 1 65 . 1 1 54 54 GLY H H 1 8.012 0.008 . . . . . . 54 GLY H . 15379 1 66 . 1 1 54 54 GLY N N 15 108.413 0.02 . . . . . . 54 GLY N . 15379 1 67 . 1 1 55 55 TYR H H 1 7.948 0.008 . . . . . . 55 TYR H . 15379 1 68 . 1 1 55 55 TYR N N 15 117.865 0.02 . . . . . . 55 TYR N . 15379 1 69 . 1 1 59 59 GLY H H 1 8.077 0.008 . . . . . . 59 GLY H . 15379 1 70 . 1 1 59 59 GLY N N 15 106.548 0.02 . . . . . . 59 GLY N . 15379 1 71 . 1 1 66 66 ASP H H 1 7.95 0.008 . . . . . . 66 ASP H . 15379 1 72 . 1 1 66 66 ASP N N 15 115.021 0.02 . . . . . . 66 ASP N . 15379 1 73 . 1 1 67 67 ALA H H 1 7.316 0.008 . . . . . . 67 ALA H . 15379 1 74 . 1 1 67 67 ALA N N 15 120.641 0.02 . . . . . . 67 ALA N . 15379 1 75 . 1 1 68 68 GLY H H 1 7.969 0.008 . . . . . . 68 GLY H . 15379 1 76 . 1 1 68 68 GLY N N 15 105.144 0.02 . . . . . . 68 GLY N . 15379 1 77 . 1 1 69 69 TYR H H 1 7.917 0.008 . . . . . . 69 TYR H . 15379 1 78 . 1 1 69 69 TYR N N 15 117.612 0.02 . . . . . . 69 TYR N . 15379 1 79 . 1 1 70 70 GLN H H 1 8.189 0.008 . . . . . . 70 GLN H . 15379 1 80 . 1 1 70 70 GLN N N 15 119.179 0.02 . . . . . . 70 GLN N . 15379 1 81 . 1 1 76 76 GLN H H 1 7.964 0.008 . . . . . . 76 GLN H . 15379 1 82 . 1 1 76 76 GLN N N 15 116.215 0.02 . . . . . . 76 GLN N . 15379 1 83 . 1 1 77 77 GLY H H 1 7.751 0.008 . . . . . . 77 GLY H . 15379 1 84 . 1 1 77 77 GLY N N 15 105.862 0.02 . . . . . . 77 GLY N . 15379 1 85 . 1 1 78 78 GLY H H 1 7.946 0.008 . . . . . . 78 GLY H . 15379 1 86 . 1 1 78 78 GLY N N 15 106.138 0.02 . . . . . . 78 GLY N . 15379 1 87 . 1 1 85 85 GLN H H 1 7.964 0.008 . . . . . . 85 GLN H . 15379 1 88 . 1 1 85 85 GLN N N 15 116.215 0.02 . . . . . . 85 GLN N . 15379 1 89 . 1 1 86 86 GLY H H 1 7.751 0.008 . . . . . . 86 GLY H . 15379 1 90 . 1 1 86 86 GLY N N 15 105.862 0.02 . . . . . . 86 GLY N . 15379 1 91 . 1 1 87 87 GLY H H 1 7.946 0.008 . . . . . . 87 GLY H . 15379 1 92 . 1 1 87 87 GLY N N 15 106.138 0.02 . . . . . . 87 GLY N . 15379 1 93 . 1 1 95 95 GLN H H 1 8.024 0.008 . . . . . . 95 GLN H . 15379 1 94 . 1 1 95 95 GLN N N 15 116.353 0.02 . . . . . . 95 GLN N . 15379 1 95 . 1 1 96 96 GLY H H 1 7.836 0.008 . . . . . . 96 GLY H . 15379 1 96 . 1 1 96 96 GLY N N 15 106.222 0.02 . . . . . . 96 GLY N . 15379 1 97 . 1 1 97 97 GLY H H 1 8.022 0.008 . . . . . . 97 GLY H . 15379 1 98 . 1 1 97 97 GLY N N 15 106.422 0.02 . . . . . . 97 GLY N . 15379 1 99 . 1 1 99 99 GLY H H 1 8.257 0.008 . . . . . . 99 GLY H . 15379 1 100 . 1 1 99 99 GLY N N 15 107.626 0.02 . . . . . . 99 GLY N . 15379 1 101 . 1 1 110 110 LEU H H 1 7.843 0.008 . . . . . . 110 LEU H . 15379 1 102 . 1 1 110 110 LEU N N 15 118.881 0.02 . . . . . . 110 LEU N . 15379 1 103 . 1 1 111 111 GLN H H 1 7.843 0.008 . . . . . . 111 GLN H . 15379 1 104 . 1 1 111 111 GLN N N 15 117.905 0.02 . . . . . . 111 GLN N . 15379 1 105 . 1 1 112 112 GLY H H 1 8 0.008 . . . . . . 112 GLY H . 15379 1 106 . 1 1 112 112 GLY N N 15 106.974 0.02 . . . . . . 112 GLY N . 15379 1 107 . 1 1 114 114 GLN H H 1 8.186 0.008 . . . . . . 114 GLN H . 15379 1 108 . 1 1 114 114 GLN N N 15 119.412 0.02 . . . . . . 114 GLN N . 15379 1 109 . 1 1 115 115 ALA H H 1 7.988 0.008 . . . . . . 115 ALA H . 15379 1 110 . 1 1 115 115 ALA N N 15 122.339 0.02 . . . . . . 115 ALA N . 15379 1 111 . 1 1 116 116 GLY H H 1 8.071 0.008 . . . . . . 116 GLY H . 15379 1 112 . 1 1 116 116 GLY N N 15 105.487 0.02 . . . . . . 116 GLY N . 15379 1 113 . 1 1 117 117 PHE H H 1 7.959 0.008 . . . . . . 117 PHE H . 15379 1 114 . 1 1 117 117 PHE N N 15 117.217 0.02 . . . . . . 117 PHE N . 15379 1 115 . 1 1 118 118 GLN H H 1 8.336 0.008 . . . . . . 118 GLN H . 15379 1 116 . 1 1 118 118 GLN N N 15 120.951 0.02 . . . . . . 118 GLN N . 15379 1 117 . 1 1 120 120 GLN H H 1 8.278 0.008 . . . . . . 120 GLN H . 15379 1 118 . 1 1 120 120 GLN N N 15 118.439 0.02 . . . . . . 120 GLN N . 15379 1 119 . 1 1 121 121 SER H H 1 7.879 0.008 . . . . . . 121 SER H . 15379 1 120 . 1 1 121 121 SER N N 15 114.651 0.02 . . . . . . 121 SER N . 15379 1 121 . 1 1 123 123 GLY H H 1 8.13 0.008 . . . . . . 123 GLY H . 15379 1 122 . 1 1 123 123 GLY N N 15 107.099 0.02 . . . . . . 123 GLY N . 15379 1 123 . 1 1 124 124 MET H H 1 8.016 0.008 . . . . . . 124 MET H . 15379 1 124 . 1 1 124 124 MET N N 15 117.786 0.02 . . . . . . 124 MET N . 15379 1 125 . 1 1 125 125 SER H H 1 8.093 0.008 . . . . . . 125 SER H . 15379 1 126 . 1 1 125 125 SER N N 15 116.039 0.02 . . . . . . 125 SER N . 15379 1 127 . 1 1 126 126 LEU H H 1 8.042 0.008 . . . . . . 126 LEU H . 15379 1 128 . 1 1 126 126 LEU N N 15 121.725 0.02 . . . . . . 126 LEU N . 15379 1 129 . 1 1 127 127 ASN H H 1 8.116 0.008 . . . . . . 127 ASN H . 15379 1 130 . 1 1 127 127 ASN N N 15 117.181 0.02 . . . . . . 127 ASN N . 15379 1 131 . 1 1 128 128 ASP H H 1 8.253 0.008 . . . . . . 128 ASP H . 15379 1 132 . 1 1 128 128 ASP N N 15 118.611 0.02 . . . . . . 128 ASP N . 15379 1 133 . 1 1 129 129 PHE H H 1 7.971 0.008 . . . . . . 129 PHE H . 15379 1 134 . 1 1 129 129 PHE N N 15 116.972 0.02 . . . . . . 129 PHE N . 15379 1 135 . 1 1 130 130 GLN H H 1 7.926 0.008 . . . . . . 130 GLN H . 15379 1 136 . 1 1 130 130 GLN N N 15 118.716 0.02 . . . . . . 130 GLN N . 15379 1 137 . 1 1 131 131 LYS H H 1 7.985 0.008 . . . . . . 131 LYS H . 15379 1 138 . 1 1 131 131 LYS N N 15 119.702 0.02 . . . . . . 131 LYS N . 15379 1 139 . 1 1 136 136 ALA H H 1 8.065 0.008 . . . . . . 136 ALA H . 15379 1 140 . 1 1 136 136 ALA N N 15 122.623 0.02 . . . . . . 136 ALA N . 15379 1 141 . 1 1 141 141 LYS H H 1 8.154 0.008 . . . . . . 141 LYS H . 15379 1 142 . 1 1 141 141 LYS N N 15 118.879 0.02 . . . . . . 141 LYS N . 15379 1 143 . 1 1 143 143 THR H H 1 7.831 0.008 . . . . . . 143 THR H . 15379 1 144 . 1 1 143 143 THR N N 15 113.412 0.02 . . . . . . 143 THR N . 15379 1 145 . 1 1 144 144 LEU H H 1 7.954 0.008 . . . . . . 144 LEU H . 15379 1 146 . 1 1 144 144 LEU N N 15 121.864 0.02 . . . . . . 144 LEU N . 15379 1 147 . 1 1 146 146 LEU H H 1 8.071 0.008 . . . . . . 146 LEU H . 15379 1 148 . 1 1 146 146 LEU N N 15 121.108 0.02 . . . . . . 146 LEU N . 15379 1 149 . 1 1 147 147 VAL H H 1 7.716 0.008 . . . . . . 147 VAL H . 15379 1 150 . 1 1 147 147 VAL N N 15 115.633 0.02 . . . . . . 147 VAL N . 15379 1 151 . 1 1 148 148 SER H H 1 8.089 0.008 . . . . . . 148 SER H . 15379 1 152 . 1 1 148 148 SER N N 15 117.308 0.02 . . . . . . 148 SER N . 15379 1 153 . 1 1 149 149 SER H H 1 8.064 0.008 . . . . . . 149 SER H . 15379 1 154 . 1 1 149 149 SER N N 15 116.368 0.02 . . . . . . 149 SER N . 15379 1 155 . 1 1 150 150 SER H H 1 8.093 0.008 . . . . . . 150 SER H . 15379 1 156 . 1 1 150 150 SER N N 15 116.039 0.02 . . . . . . 150 SER N . 15379 1 157 . 1 1 151 151 GLY H H 1 8.124 0.008 . . . . . . 151 GLY H . 15379 1 158 . 1 1 151 151 GLY N N 15 108.514 0.02 . . . . . . 151 GLY N . 15379 1 159 . 1 1 152 152 ILE H H 1 7.804 0.008 . . . . . . 152 ILE H . 15379 1 160 . 1 1 152 152 ILE N N 15 117.337 0.02 . . . . . . 152 ILE N . 15379 1 161 . 1 1 153 153 LYS H H 1 8.124 0.008 . . . . . . 153 LYS H . 15379 1 162 . 1 1 153 153 LYS N N 15 123.246 0.02 . . . . . . 153 LYS N . 15379 1 163 . 1 1 154 154 LEU H H 1 7.968 0.008 . . . . . . 154 LEU H . 15379 1 164 . 1 1 154 154 LEU N N 15 120.782 0.02 . . . . . . 154 LEU N . 15379 1 165 . 1 1 157 157 ALA H H 1 7.942 0.008 . . . . . . 157 ALA H . 15379 1 166 . 1 1 157 157 ALA N N 15 121.451 0.02 . . . . . . 157 ALA N . 15379 1 167 . 1 1 158 158 THR H H 1 7.807 0.008 . . . . . . 158 THR H . 15379 1 168 . 1 1 158 158 THR N N 15 111.18 0.02 . . . . . . 158 THR N . 15379 1 169 . 1 1 159 159 LYS H H 1 7.913 0.008 . . . . . . 159 LYS H . 15379 1 170 . 1 1 159 159 LYS N N 15 120.471 0.02 . . . . . . 159 LYS N . 15379 1 171 . 1 1 160 160 LYS H H 1 8.103 0.008 . . . . . . 160 LYS H . 15379 1 172 . 1 1 160 160 LYS N N 15 120.277 0.02 . . . . . . 160 LYS N . 15379 1 173 . 1 1 161 161 VAL H H 1 7.764 0.008 . . . . . . 161 VAL H . 15379 1 174 . 1 1 161 161 VAL N N 15 116.394 0.02 . . . . . . 161 VAL N . 15379 1 175 . 1 1 162 162 GLY H H 1 8.26 0.008 . . . . . . 162 GLY H . 15379 1 176 . 1 1 162 162 GLY N N 15 109.837 0.02 . . . . . . 162 GLY N . 15379 1 177 . 1 1 163 163 THR H H 1 7.775 0.008 . . . . . . 163 THR H . 15379 1 178 . 1 1 163 163 THR N N 15 111.903 0.02 . . . . . . 163 THR N . 15379 1 179 . 1 1 166 166 ALA H H 1 8.18 0.008 . . . . . . 166 ALA H . 15379 1 180 . 1 1 166 166 ALA N N 15 121.427 0.02 . . . . . . 166 ALA N . 15379 1 181 . 1 1 167 167 GLU H H 1 7.955 0.008 . . . . . . 167 GLU H . 15379 1 182 . 1 1 167 167 GLU N N 15 116.8 0.02 . . . . . . 167 GLU N . 15379 1 183 . 1 1 168 168 SER H H 1 7.942 0.008 . . . . . . 168 SER H . 15379 1 184 . 1 1 168 168 SER N N 15 114.265 0.02 . . . . . . 168 SER N . 15379 1 185 . 1 1 169 169 ASP H H 1 8.344 0.008 . . . . . . 169 ASP H . 15379 1 186 . 1 1 169 169 ASP N N 15 120.58 0.02 . . . . . . 169 ASP N . 15379 1 187 . 1 1 170 170 LYS H H 1 7.862 0.008 . . . . . . 170 LYS H . 15379 1 188 . 1 1 170 170 LYS N N 15 118.655 0.02 . . . . . . 170 LYS N . 15379 1 189 . 1 1 171 171 LYS H H 1 8.024 0.008 . . . . . . 171 LYS H . 15379 1 190 . 1 1 171 171 LYS N N 15 119.607 0.02 . . . . . . 171 LYS N . 15379 1 191 . 1 1 176 176 SER H H 1 8.061 0.008 . . . . . . 176 SER H . 15379 1 192 . 1 1 176 176 SER N N 15 115.178 0.02 . . . . . . 176 SER N . 15379 1 193 . 1 1 177 177 ALA H H 1 8.123 0.008 . . . . . . 177 ALA H . 15379 1 194 . 1 1 177 177 ALA N N 15 123.482 0.02 . . . . . . 177 ALA N . 15379 1 195 . 1 1 178 178 GLU H H 1 8.076 0.008 . . . . . . 178 GLU H . 15379 1 196 . 1 1 178 178 GLU N N 15 117.353 0.02 . . . . . . 178 GLU N . 15379 1 197 . 1 1 179 179 THR H H 1 7.719 0.008 . . . . . . 179 THR H . 15379 1 198 . 1 1 179 179 THR N N 15 113.073 0.02 . . . . . . 179 THR N . 15379 1 199 . 1 1 180 180 LYS H H 1 7.95 0.008 . . . . . . 180 LYS H . 15379 1 200 . 1 1 180 180 LYS N N 15 120.366 0.02 . . . . . . 180 LYS N . 15379 1 201 . 1 1 183 183 THR H H 1 7.885 0.008 . . . . . . 183 THR H . 15379 1 202 . 1 1 183 183 THR N N 15 112.084 0.02 . . . . . . 183 THR N . 15379 1 203 . 1 1 184 184 LYS H H 1 7.84 0.008 . . . . . . 184 LYS H . 15379 1 204 . 1 1 184 184 LYS N N 15 119.788 0.02 . . . . . . 184 LYS N . 15379 1 205 . 1 1 187 187 THR H H 1 7.912 0.008 . . . . . . 187 THR H . 15379 1 206 . 1 1 187 187 THR N N 15 112.048 0.02 . . . . . . 187 THR N . 15379 1 207 . 1 1 188 188 LYS H H 1 7.821 0.008 . . . . . . 188 LYS H . 15379 1 208 . 1 1 188 188 LYS N N 15 120.032 0.02 . . . . . . 188 LYS N . 15379 1 209 . 1 1 189 189 VAL H H 1 7.885 0.008 . . . . . . 189 VAL H . 15379 1 210 . 1 1 189 189 VAL N N 15 117.111 0.02 . . . . . . 189 VAL N . 15379 1 211 . 1 1 190 190 GLU H H 1 8.065 0.008 . . . . . . 190 GLU H . 15379 1 212 . 1 1 190 190 GLU N N 15 121.572 0.02 . . . . . . 190 GLU N . 15379 1 213 . 1 1 193 193 VAL H H 1 7.912 0.008 . . . . . . 193 VAL H . 15379 1 214 . 1 1 193 193 VAL N N 15 116.161 0.02 . . . . . . 193 VAL N . 15379 1 215 . 1 1 194 194 LYS H H 1 7.991 0.008 . . . . . . 194 LYS H . 15379 1 216 . 1 1 194 194 LYS N N 15 121.746 0.02 . . . . . . 194 LYS N . 15379 1 217 . 1 1 198 198 LYS H H 1 8.183 0.008 . . . . . . 198 LYS H . 15379 1 218 . 1 1 198 198 LYS N N 15 120.99 0.02 . . . . . . 198 LYS N . 15379 1 219 . 1 1 200 200 VAL H H 1 7.916 0.008 . . . . . . 200 VAL H . 15379 1 220 . 1 1 200 200 VAL N N 15 116.292 0.02 . . . . . . 200 VAL N . 15379 1 221 . 1 1 201 201 GLN H H 1 8.129 0.008 . . . . . . 201 GLN H . 15379 1 222 . 1 1 201 201 GLN N N 15 121.689 0.02 . . . . . . 201 GLN N . 15379 1 223 . 1 1 202 202 THR H H 1 7.821 0.008 . . . . . . 202 THR H . 15379 1 224 . 1 1 202 202 THR N N 15 113.288 0.02 . . . . . . 202 THR N . 15379 1 225 . 1 1 203 203 GLU H H 1 7.917 0.008 . . . . . . 203 GLU H . 15379 1 226 . 1 1 203 203 GLU N N 15 119.702 0.02 . . . . . . 203 GLU N . 15379 1 227 . 1 1 204 204 GLU H H 1 8.12 0.008 . . . . . . 204 GLU H . 15379 1 228 . 1 1 204 204 GLU N N 15 119.761 0.02 . . . . . . 204 GLU N . 15379 1 229 . 1 1 205 205 LYS H H 1 8.102 0.008 . . . . . . 205 LYS H . 15379 1 230 . 1 1 205 205 LYS N N 15 120.591 0.02 . . . . . . 205 LYS N . 15379 1 231 . 1 1 206 206 THR H H 1 7.888 0.008 . . . . . . 206 THR H . 15379 1 232 . 1 1 206 206 THR N N 15 113.643 0.02 . . . . . . 206 THR N . 15379 1 233 . 1 1 207 207 GLU H H 1 7.952 0.008 . . . . . . 207 GLU H . 15379 1 234 . 1 1 207 207 GLU N N 15 119.937 0.02 . . . . . . 207 GLU N . 15379 1 235 . 1 1 214 214 LYS H H 1 8.119 0.008 . . . . . . 214 LYS H . 15379 1 236 . 1 1 214 214 LYS N N 15 118.836 0.02 . . . . . . 214 LYS N . 15379 1 237 . 1 1 215 215 VAL H H 1 7.668 0.008 . . . . . . 215 VAL H . 15379 1 238 . 1 1 215 215 VAL N N 15 115.839 0.02 . . . . . . 215 VAL N . 15379 1 239 . 1 1 216 216 GLU H H 1 8.091 0.008 . . . . . . 216 GLU H . 15379 1 240 . 1 1 216 216 GLU N N 15 120.68 0.02 . . . . . . 216 GLU N . 15379 1 241 . 1 1 218 218 LEU H H 1 7.881 0.008 . . . . . . 218 LEU H . 15379 1 242 . 1 1 218 218 LEU N N 15 119.93 0.02 . . . . . . 218 LEU N . 15379 1 243 . 1 1 220 220 ILE H H 1 7.727 0.008 . . . . . . 220 ILE H . 15379 1 244 . 1 1 220 220 ILE N N 15 117.584 0.02 . . . . . . 220 ILE N . 15379 1 245 . 1 1 221 221 SER H H 1 8.042 0.008 . . . . . . 221 SER H . 15379 1 246 . 1 1 221 221 SER N N 15 117.738 0.02 . . . . . . 221 SER N . 15379 1 247 . 1 1 222 222 GLU H H 1 8.018 0.008 . . . . . . 222 GLU H . 15379 1 248 . 1 1 222 222 GLU N N 15 120.093 0.02 . . . . . . 222 GLU N . 15379 1 249 . 1 1 223 223 SER H H 1 8.034 0.008 . . . . . . 223 SER H . 15379 1 250 . 1 1 223 223 SER N N 15 115.061 0.02 . . . . . . 223 SER N . 15379 1 251 . 1 1 224 224 THR H H 1 7.875 0.008 . . . . . . 224 THR H . 15379 1 252 . 1 1 224 224 THR N N 15 113.736 0.02 . . . . . . 224 THR N . 15379 1 253 . 1 1 225 225 HIS H H 1 8.14 0.008 . . . . . . 225 HIS H . 15379 1 254 . 1 1 225 225 HIS N N 15 117.712 0.02 . . . . . . 225 HIS N . 15379 1 255 . 1 1 226 226 ASN H H 1 8.337 0.008 . . . . . . 226 ASN H . 15379 1 256 . 1 1 226 226 ASN N N 15 119.721 0.02 . . . . . . 226 ASN N . 15379 1 257 . 1 1 227 227 THR H H 1 7.882 0.008 . . . . . . 227 THR H . 15379 1 258 . 1 1 227 227 THR N N 15 112.466 0.02 . . . . . . 227 THR N . 15379 1 259 . 1 1 229 229 ASN H H 1 8.102 0.008 . . . . . . 229 ASN H . 15379 1 260 . 1 1 229 229 ASN N N 15 118.122 0.02 . . . . . . 229 ASN N . 15379 1 261 . 1 1 230 230 ALA H H 1 8.148 0.008 . . . . . . 230 ALA H . 15379 1 262 . 1 1 230 230 ALA N N 15 121.994 0.02 . . . . . . 230 ALA N . 15379 1 263 . 1 1 231 231 ASN H H 1 8.171 0.008 . . . . . . 231 ASN H . 15379 1 264 . 1 1 231 231 ASN N N 15 117.282 0.02 . . . . . . 231 ASN N . 15379 1 stop_ save_