################################### # 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 19980 _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 '2D 1H-15N HSQC' . . . 19980 1 2 '2D 1H-15N HSQC' . . . 19980 1 3 '2D 1H-15N HSQC' . . . 19980 1 4 '3D HNCO' . . . 19980 1 5 '3D HNCO' . . . 19980 1 6 '3D HNCO' . . . 19980 1 7 '3D HNCA' . . . 19980 1 8 '3D HN(CO)CA' . . . 19980 1 9 '3D HNCACB' . . . 19980 1 10 '3D HN(COCA)CB' . . . 19980 1 11 '3D 1H-15N NOESY' . . . 19980 1 12 '3D TROSY-hNcaNH' . . . 19980 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 19 19 ARG H H 1 6.761 0.016 . 1 . . . . 16 ARG H . 19980 1 2 . 1 1 19 19 ARG N N 15 119.111 0.07 . 1 . . . . 16 ARG N . 19980 1 3 . 1 1 21 21 VAL H H 1 8.576 0.016 . 1 . . . . 18 VAL H . 19980 1 4 . 1 1 21 21 VAL N N 15 116.996 0.07 . 1 . . . . 18 VAL N . 19980 1 5 . 1 1 31 31 ARG H H 1 8.328 0.016 . 1 . . . . 28 ARG H . 19980 1 6 . 1 1 31 31 ARG N N 15 128.006 0.07 . 1 . . . . 28 ARG N . 19980 1 7 . 1 1 32 32 LEU H H 1 7.067 0.016 . 1 . . . . 29 LEU H . 19980 1 8 . 1 1 32 32 LEU N N 15 120.865 0.07 . 1 . . . . 29 LEU N . 19980 1 9 . 1 1 33 33 THR H H 1 8.403 0.016 . 1 . . . . 30 THR H . 19980 1 10 . 1 1 33 33 THR N N 15 113.045 0.07 . 1 . . . . 30 THR N . 19980 1 11 . 1 1 34 34 ALA H H 1 9.132 0.016 . 1 . . . . 31 ALA H . 19980 1 12 . 1 1 34 34 ALA N N 15 123.562 0.07 . 1 . . . . 31 ALA N . 19980 1 13 . 1 1 35 35 LYS H H 1 7.949 0.016 . 1 . . . . 32 LYS H . 19980 1 14 . 1 1 35 35 LYS N N 15 116.108 0.07 . 1 . . . . 32 LYS N . 19980 1 15 . 1 1 36 36 GLU H H 1 7.18 0.016 . 1 . . . . 33 GLU H . 19980 1 16 . 1 1 36 36 GLU N N 15 116.678 0.07 . 1 . . . . 33 GLU N . 19980 1 17 . 1 1 37 37 VAL H H 1 7.485 0.016 . 1 . . . . 34 VAL H . 19980 1 18 . 1 1 37 37 VAL N N 15 116.463 0.07 . 1 . . . . 34 VAL N . 19980 1 19 . 1 1 38 38 PHE H H 1 8.101 0.016 . 1 . . . . 35 PHE H . 19980 1 20 . 1 1 38 38 PHE N N 15 117.751 0.07 . 1 . . . . 35 PHE N . 19980 1 21 . 1 1 39 39 ASP H H 1 8.772 0.016 . 1 . . . . 36 ASP H . 19980 1 22 . 1 1 39 39 ASP N N 15 122.355 0.07 . 1 . . . . 36 ASP N . 19980 1 23 . 1 1 41 41 ASP H H 1 8.199 0.016 . 1 . . . . 38 ASP H . 19980 1 24 . 1 1 41 41 ASP N N 15 118.81 0.07 . 1 . . . . 38 ASP N . 19980 1 25 . 1 1 42 42 GLY H H 1 8.127 0.016 . 1 . . . . 39 GLY H . 19980 1 26 . 1 1 42 42 GLY N N 15 108.708 0.07 . 1 . . . . 39 GLY N . 19980 1 27 . 1 1 43 43 LYS H H 1 8.422 0.016 . 1 . . . . 40 LYS H . 19980 1 28 . 1 1 43 43 LYS N N 15 122.091 0.07 . 1 . . . . 40 LYS N . 19980 1 29 . 1 1 45 45 ARG H H 1 8.761 0.016 . 1 . . . . 42 ARG H . 19980 1 30 . 1 1 45 45 ARG N N 15 123.429 0.07 . 1 . . . . 42 ARG N . 19980 1 31 . 1 1 46 46 VAL H H 1 7.559 0.016 . 1 . . . . 43 VAL H . 19980 1 32 . 1 1 46 46 VAL N N 15 120.221 0.07 . 1 . . . . 43 VAL N . 19980 1 33 . 1 1 47 47 ASP H H 1 9.012 0.016 . 1 . . . . 44 ASP H . 19980 1 34 . 1 1 47 47 ASP N N 15 121.838 0.07 . 1 . . . . 44 ASP N . 19980 1 35 . 1 1 48 48 ILE H H 1 7.16 0.016 . 1 . . . . 45 ILE H . 19980 1 36 . 1 1 48 48 ILE N N 15 123.897 0.07 . 1 . . . . 45 ILE N . 19980 1 37 . 1 1 49 49 LEU H H 1 7.784 0.016 . 1 . . . . 46 LEU H . 19980 1 38 . 1 1 49 49 LEU N N 15 119.214 0.07 . 1 . . . . 46 LEU N . 19980 1 39 . 1 1 50 50 LYS H H 1 8.643 0.016 . 1 . . . . 47 LYS H . 19980 1 40 . 1 1 50 50 LYS N N 15 118.813 0.07 . 1 . . . . 47 LYS N . 19980 1 41 . 1 1 51 51 ALA H H 1 7.294 0.016 . 1 . . . . 48 ALA H . 19980 1 42 . 1 1 51 51 ALA N N 15 117.721 0.07 . 1 . . . . 48 ALA N . 19980 1 43 . 1 1 52 52 HIS H H 1 7.884 0.016 . 1 . . . . 49 HIS H . 19980 1 44 . 1 1 52 52 HIS N N 15 117.089 0.07 . 1 . . . . 49 HIS N . 19980 1 45 . 1 1 53 53 LEU H H 1 8.641 0.016 . 1 . . . . 50 LEU H . 19980 1 46 . 1 1 53 53 LEU N N 15 118.998 0.07 . 1 . . . . 50 LEU N . 19980 1 47 . 1 1 54 54 MET H H 1 8.271 0.016 . 1 . . . . 51 MET H . 19980 1 48 . 1 1 54 54 MET N N 15 116.172 0.07 . 1 . . . . 51 MET N . 19980 1 49 . 1 1 55 55 LYS H H 1 6.972 0.016 . 1 . . . . 52 LYS H . 19980 1 50 . 1 1 55 55 LYS N N 15 117.595 0.07 . 1 . . . . 52 LYS N . 19980 1 51 . 1 1 56 56 GLU H H 1 7.806 0.016 . 1 . . . . 53 GLU H . 19980 1 52 . 1 1 56 56 GLU N N 15 111.828 0.07 . 1 . . . . 53 GLU N . 19980 1 53 . 1 1 57 57 GLY H H 1 7.877 0.016 . 1 . . . . 54 GLY H . 19980 1 54 . 1 1 57 57 GLY N N 15 106.31 0.07 . 1 . . . . 54 GLY N . 19980 1 55 . 1 1 58 58 ARG H H 1 8.887 0.016 . 1 . . . . 55 ARG H . 19980 1 56 . 1 1 58 58 ARG N N 15 118.409 0.07 . 1 . . . . 55 ARG N . 19980 1 57 . 1 1 59 59 LEU H H 1 8.27 0.016 . 1 . . . . 56 LEU H . 19980 1 58 . 1 1 59 59 LEU N N 15 120.904 0.07 . 1 . . . . 56 LEU N . 19980 1 59 . 1 1 60 60 GLU H H 1 8.673 0.016 . 1 . . . . 57 GLU H . 19980 1 60 . 1 1 60 60 GLU N N 15 122.799 0.07 . 1 . . . . 57 GLU N . 19980 1 61 . 1 1 61 61 GLU H H 1 9.315 0.016 . 1 . . . . 58 GLU H . 19980 1 62 . 1 1 61 61 GLU N N 15 128.087 0.07 . 1 . . . . 58 GLU N . 19980 1 63 . 1 1 62 62 SER H H 1 8.865 0.016 . 1 . . . . 59 SER H . 19980 1 64 . 1 1 62 62 SER N N 15 112.022 0.07 . 1 . . . . 59 SER N . 19980 1 65 . 1 1 63 63 VAL H H 1 7.111 0.016 . 1 . . . . 60 VAL H . 19980 1 66 . 1 1 63 63 VAL N N 15 125.267 0.07 . 1 . . . . 60 VAL N . 19980 1 67 . 1 1 65 65 LEU H H 1 8.665 0.016 . 1 . . . . 62 LEU H . 19980 1 68 . 1 1 65 65 LEU N N 15 120.713 0.07 . 1 . . . . 62 LEU N . 19980 1 69 . 1 1 73 73 SER H H 1 7.87 0.016 . 1 . . . . 70 SER H . 19980 1 70 . 1 1 73 73 SER N N 15 112.796 0.07 . 1 . . . . 70 SER N . 19980 1 71 . 1 1 74 74 ILE H H 1 7.054 0.016 . 1 . . . . 71 ILE H . 19980 1 72 . 1 1 74 74 ILE N N 15 122.361 0.07 . 1 . . . . 71 ILE N . 19980 1 73 . 1 1 76 76 ARG H H 1 8.7 0.016 . 1 . . . . 73 ARG H . 19980 1 74 . 1 1 76 76 ARG N N 15 116.41 0.07 . 1 . . . . 73 ARG N . 19980 1 75 . 1 1 77 77 GLN H H 1 7.004 0.016 . 1 . . . . 74 GLN H . 19980 1 76 . 1 1 77 77 GLN N N 15 112.047 0.07 . 1 . . . . 74 GLN N . 19980 1 77 . 1 1 78 78 GLU H H 1 7.74 0.016 . 1 . . . . 75 GLU H . 19980 1 78 . 1 1 78 78 GLU N N 15 120.672 0.07 . 1 . . . . 75 GLU N . 19980 1 79 . 1 1 79 79 LYS H H 1 8.33 0.016 . 1 . . . . 76 LYS H . 19980 1 80 . 1 1 79 79 LYS N N 15 122.48 0.07 . 1 . . . . 76 LYS N . 19980 1 81 . 1 1 80 80 ASN H H 1 7.907 0.016 . 1 . . . . 77 ASN H . 19980 1 82 . 1 1 80 80 ASN N N 15 113.173 0.07 . 1 . . . . 77 ASN N . 19980 1 83 . 1 1 81 81 LEU H H 1 7.398 0.016 . 1 . . . . 78 LEU H . 19980 1 84 . 1 1 81 81 LEU N N 15 116.552 0.07 . 1 . . . . 78 LEU N . 19980 1 85 . 1 1 82 82 LEU H H 1 8.684 0.016 . 1 . . . . 79 LEU H . 19980 1 86 . 1 1 82 82 LEU N N 15 126.103 0.07 . 1 . . . . 79 LEU N . 19980 1 87 . 1 1 83 83 ASP H H 1 8.151 0.016 . 1 . . . . 80 ASP H . 19980 1 88 . 1 1 83 83 ASP N N 15 121.901 0.07 . 1 . . . . 80 ASP N . 19980 1 89 . 1 1 84 84 ILE H H 1 8.028 0.016 . 1 . . . . 81 ILE H . 19980 1 90 . 1 1 84 84 ILE N N 15 122.525 0.07 . 1 . . . . 81 ILE N . 19980 1 91 . 1 1 85 85 ASP H H 1 8.248 0.016 . 1 . . . . 82 ASP H . 19980 1 92 . 1 1 85 85 ASP N N 15 128.088 0.07 . 1 . . . . 82 ASP N . 19980 1 93 . 1 1 86 86 ALA H H 1 8.018 0.016 . 1 . . . . 83 ALA H . 19980 1 94 . 1 1 86 86 ALA N N 15 120.244 0.07 . 1 . . . . 83 ALA N . 19980 1 95 . 1 1 88 88 VAL H H 1 8.225 0.016 . 1 . . . . 85 VAL H . 19980 1 96 . 1 1 88 88 VAL N N 15 120.012 0.07 . 1 . . . . 85 VAL N . 19980 1 97 . 1 1 104 104 LEU H H 1 8.728 0.016 . 1 . . . . 101 LEU H . 19980 1 98 . 1 1 104 104 LEU N N 15 114.216 0.07 . 1 . . . . 101 LEU N . 19980 1 99 . 1 1 105 105 PHE H H 1 7.215 0.016 . 1 . . . . 102 PHE H . 19980 1 100 . 1 1 105 105 PHE N N 15 115.755 0.07 . 1 . . . . 102 PHE N . 19980 1 101 . 1 1 106 106 GLU H H 1 7.412 0.016 . 1 . . . . 103 GLU H . 19980 1 102 . 1 1 106 106 GLU N N 15 122.059 0.07 . 1 . . . . 103 GLU N . 19980 1 103 . 1 1 107 107 VAL H H 1 7.689 0.016 . 1 . . . . 104 VAL H . 19980 1 104 . 1 1 107 107 VAL N N 15 118.541 0.07 . 1 . . . . 104 VAL N . 19980 1 105 . 1 1 108 108 GLY H H 1 9.197 0.016 . 1 . . . . 105 GLY H . 19980 1 106 . 1 1 108 108 GLY N N 15 107.738 0.07 . 1 . . . . 105 GLY N . 19980 1 107 . 1 1 109 109 GLY H H 1 7.366 0.016 . 1 . . . . 106 GLY H . 19980 1 108 . 1 1 109 109 GLY N N 15 107.742 0.07 . 1 . . . . 106 GLY N . 19980 1 109 . 1 1 110 110 SER H H 1 8.556 0.016 . 1 . . . . 107 SER H . 19980 1 110 . 1 1 110 110 SER N N 15 117.103 0.07 . 1 . . . . 107 SER N . 19980 1 111 . 1 1 112 112 ALA H H 1 7.507 0.016 . 1 . . . . 109 ALA H . 19980 1 112 . 1 1 112 112 ALA N N 15 118.214 0.07 . 1 . . . . 109 ALA N . 19980 1 113 . 1 1 113 113 ASN H H 1 7.403 0.016 . 1 . . . . 110 ASN H . 19980 1 114 . 1 1 113 113 ASN N N 15 111.197 0.07 . 1 . . . . 110 ASN N . 19980 1 115 . 1 1 114 114 THR H H 1 7.144 0.016 . 1 . . . . 111 THR H . 19980 1 116 . 1 1 114 114 THR N N 15 118.424 0.07 . 1 . . . . 111 THR N . 19980 1 117 . 1 1 115 115 ARG H H 1 8.549 0.016 . 1 . . . . 112 ARG H . 19980 1 118 . 1 1 115 115 ARG N N 15 127.425 0.07 . 1 . . . . 112 ARG N . 19980 1 119 . 1 1 116 116 TYR H H 1 7.061 0.016 . 1 . . . . 113 TYR H . 19980 1 120 . 1 1 116 116 TYR N N 15 119.317 0.07 . 1 . . . . 113 TYR N . 19980 1 121 . 1 1 117 117 LEU H H 1 9.636 0.016 . 1 . . . . 114 LEU H . 19980 1 122 . 1 1 117 117 LEU N N 15 125.061 0.07 . 1 . . . . 114 LEU N . 19980 1 123 . 1 1 145 145 LYS H H 1 8.351 0.016 . 1 . . . . 142 LYS H . 19980 1 124 . 1 1 145 145 LYS N N 15 114.938 0.07 . 1 . . . . 142 LYS N . 19980 1 125 . 1 1 146 146 THR H H 1 7.106 0.016 . 1 . . . . 143 THR H . 19980 1 126 . 1 1 146 146 THR N N 15 106.755 0.07 . 1 . . . . 143 THR N . 19980 1 127 . 1 1 176 176 ARG H H 1 8.076 0.016 . 1 . . . . 173 ARG H . 19980 1 128 . 1 1 176 176 ARG N N 15 119.246 0.07 . 1 . . . . 173 ARG N . 19980 1 129 . 1 1 177 177 VAL H H 1 7.227 0.016 . 1 . . . . 174 VAL H . 19980 1 130 . 1 1 177 177 VAL N N 15 119.909 0.07 . 1 . . . . 174 VAL N . 19980 1 131 . 1 1 178 178 TYR H H 1 6.957 0.016 . 1 . . . . 175 TYR H . 19980 1 132 . 1 1 178 178 TYR N N 15 121.455 0.07 . 1 . . . . 175 TYR N . 19980 1 133 . 1 1 179 179 ASP H H 1 8.723 0.016 . 1 . . . . 176 ASP H . 19980 1 134 . 1 1 179 179 ASP N N 15 120.779 0.07 . 1 . . . . 176 ASP N . 19980 1 135 . 1 1 180 180 ALA H H 1 7.603 0.016 . 1 . . . . 177 ALA H . 19980 1 136 . 1 1 180 180 ALA N N 15 121.838 0.07 . 1 . . . . 177 ALA N . 19980 1 137 . 1 1 195 195 ASN H H 1 9.784 0.016 . 1 . . . . 192 ASN H . 19980 1 138 . 1 1 195 195 ASN N N 15 130.844 0.07 . 1 . . . . 192 ASN N . 19980 1 139 . 1 1 196 196 GLN H H 1 8.75 0.016 . 1 . . . . 193 GLN H . 19980 1 140 . 1 1 196 196 GLN N N 15 109.044 0.07 . 1 . . . . 193 GLN N . 19980 1 141 . 1 1 197 197 GLN H H 1 7.812 0.016 . 1 . . . . 194 GLN H . 19980 1 142 . 1 1 197 197 GLN N N 15 115.512 0.07 . 1 . . . . 194 GLN N . 19980 1 143 . 1 1 208 208 GLU H H 1 7.897 0.016 . 1 . . . . 205 GLU H . 19980 1 144 . 1 1 208 208 GLU N N 15 119.924 0.07 . 1 . . . . 205 GLU N . 19980 1 145 . 1 1 209 209 ILE H H 1 7.506 0.016 . 1 . . . . 206 ILE H . 19980 1 146 . 1 1 209 209 ILE N N 15 121.167 0.07 . 1 . . . . 206 ILE N . 19980 1 147 . 1 1 211 211 THR H H 1 8.326 0.016 . 1 . . . . 208 THR H . 19980 1 148 . 1 1 211 211 THR N N 15 111.661 0.07 . 1 . . . . 208 THR N . 19980 1 149 . 1 1 212 212 LEU H H 1 7.302 0.016 . 1 . . . . 209 LEU H . 19980 1 150 . 1 1 212 212 LEU N N 15 117.979 0.07 . 1 . . . . 209 LEU N . 19980 1 151 . 1 1 213 213 ASP H H 1 8.079 0.016 . 1 . . . . 210 ASP H . 19980 1 152 . 1 1 213 213 ASP N N 15 119.862 0.07 . 1 . . . . 210 ASP N . 19980 1 153 . 1 1 214 214 ASP H H 1 7.599 0.016 . 1 . . . . 211 ASP H . 19980 1 154 . 1 1 214 214 ASP N N 15 118.64 0.07 . 1 . . . . 211 ASP N . 19980 1 155 . 1 1 215 215 ILE H H 1 7.236 0.016 . 1 . . . . 212 ILE H . 19980 1 156 . 1 1 215 215 ILE N N 15 116.569 0.07 . 1 . . . . 212 ILE N . 19980 1 157 . 1 1 216 216 ARG H H 1 7.467 0.016 . 1 . . . . 213 ARG H . 19980 1 158 . 1 1 216 216 ARG N N 15 119.305 0.07 . 1 . . . . 213 ARG N . 19980 1 159 . 1 1 217 217 LYS H H 1 7.32 0.016 . 1 . . . . 214 LYS H . 19980 1 160 . 1 1 217 217 LYS N N 15 113.415 0.07 . 1 . . . . 214 LYS N . 19980 1 161 . 1 1 218 218 LEU H H 1 6.633 0.016 . 1 . . . . 215 LEU H . 19980 1 162 . 1 1 218 218 LEU N N 15 118.261 0.07 . 1 . . . . 215 LEU N . 19980 1 163 . 1 1 220 220 ARG H H 1 8.331 0.016 . 1 . . . . 217 ARG H . 19980 1 164 . 1 1 220 220 ARG N N 15 123.927 0.07 . 1 . . . . 217 ARG N . 19980 1 165 . 1 1 221 221 PHE H H 1 7.255 0.016 . 1 . . . . 218 PHE H . 19980 1 166 . 1 1 221 221 PHE N N 15 120.433 0.07 . 1 . . . . 218 PHE N . 19980 1 167 . 1 1 222 222 LYS H H 1 9.046 0.016 . 1 . . . . 219 LYS H . 19980 1 168 . 1 1 222 222 LYS N N 15 121.248 0.07 . 1 . . . . 219 LYS N . 19980 1 169 . 1 1 223 223 GLU H H 1 7.974 0.016 . 1 . . . . 220 GLU H . 19980 1 170 . 1 1 223 223 GLU N N 15 122.686 0.07 . 1 . . . . 220 GLU N . 19980 1 171 . 1 1 226 226 ALA H H 1 8.268 0.016 . 1 . . . . 223 ALA H . 19980 1 172 . 1 1 226 226 ALA N N 15 120.109 0.07 . 1 . . . . 223 ALA N . 19980 1 173 . 1 1 227 227 TYR H H 1 6.95 0.016 . 1 . . . . 224 TYR H . 19980 1 174 . 1 1 227 227 TYR N N 15 111.4 0.07 . 1 . . . . 224 TYR N . 19980 1 175 . 1 1 228 228 GLY H H 1 8.923 0.016 . 1 . . . . 225 GLY H . 19980 1 176 . 1 1 228 228 GLY N N 15 111.498 0.07 . 1 . . . . 225 GLY N . 19980 1 177 . 1 1 242 242 PHE H H 1 7.048 0.016 . 1 . . . . 239 PHE H . 19980 1 178 . 1 1 242 242 PHE N N 15 119.322 0.07 . 1 . . . . 239 PHE N . 19980 1 179 . 1 1 243 243 GLY H H 1 9.529 0.016 . 1 . . . . 240 GLY H . 19980 1 180 . 1 1 243 243 GLY N N 15 123.582 0.07 . 1 . . . . 240 GLY N . 19980 1 181 . 1 1 244 244 ASN H H 1 8.578 0.016 . 1 . . . . 241 ASN H . 19980 1 182 . 1 1 244 244 ASN N N 15 121.306 0.07 . 1 . . . . 241 ASN N . 19980 1 183 . 1 1 245 245 GLU H H 1 9.379 0.016 . 1 . . . . 242 GLU H . 19980 1 184 . 1 1 245 245 GLU N N 15 121.824 0.07 . 1 . . . . 242 GLU N . 19980 1 185 . 1 1 246 246 LYS H H 1 8.872 0.016 . 1 . . . . 243 LYS H . 19980 1 186 . 1 1 246 246 LYS N N 15 120.619 0.07 . 1 . . . . 243 LYS N . 19980 1 187 . 1 1 247 247 THR H H 1 7.4 0.016 . 1 . . . . 244 THR H . 19980 1 188 . 1 1 247 247 THR N N 15 111.115 0.07 . 1 . . . . 244 THR N . 19980 1 189 . 1 1 272 272 LEU H H 1 9.037 0.016 . 1 . . . . 269 LEU H . 19980 1 190 . 1 1 272 272 LEU N N 15 120.135 0.07 . 1 . . . . 269 LEU N . 19980 1 191 . 1 1 273 273 GLN H H 1 7.967 0.016 . 1 . . . . 270 GLN H . 19980 1 192 . 1 1 273 273 GLN N N 15 117.605 0.07 . 1 . . . . 270 GLN N . 19980 1 193 . 1 1 274 274 HIS H H 1 8.296 0.016 . 1 . . . . 271 HIS H . 19980 1 194 . 1 1 274 274 HIS N N 15 117.05 0.07 . 1 . . . . 271 HIS N . 19980 1 195 . 1 1 275 275 ASN H H 1 7.063 0.016 . 1 . . . . 272 ASN H . 19980 1 196 . 1 1 275 275 ASN N N 15 111.77 0.07 . 1 . . . . 272 ASN N . 19980 1 197 . 1 1 276 276 ASN H H 1 7.469 0.016 . 1 . . . . 273 ASN H . 19980 1 198 . 1 1 276 276 ASN N N 15 117.832 0.07 . 1 . . . . 273 ASN N . 19980 1 199 . 1 1 277 277 LEU H H 1 8.255 0.016 . 1 . . . . 274 LEU H . 19980 1 200 . 1 1 277 277 LEU N N 15 116.725 0.07 . 1 . . . . 274 LEU N . 19980 1 201 . 1 1 279 279 SER H H 1 7.721 0.016 . 1 . . . . 276 SER H . 19980 1 202 . 1 1 279 279 SER N N 15 117.554 0.07 . 1 . . . . 276 SER N . 19980 1 203 . 1 1 280 280 ILE H H 1 9.319 0.016 . 1 . . . . 277 ILE H . 19980 1 204 . 1 1 280 280 ILE N N 15 123.413 0.07 . 1 . . . . 277 ILE N . 19980 1 205 . 1 1 295 295 ARG H H 1 8.112 0.016 . 1 . . . . 292 ARG H . 19980 1 206 . 1 1 295 295 ARG N N 15 118.239 0.07 . 1 . . . . 292 ARG N . 19980 1 207 . 1 1 296 296 LYS H H 1 8.796 0.016 . 1 . . . . 293 LYS H . 19980 1 208 . 1 1 296 296 LYS N N 15 128.204 0.07 . 1 . . . . 293 LYS N . 19980 1 209 . 1 1 297 297 SER H H 1 8.287 0.016 . 1 . . . . 294 SER H . 19980 1 210 . 1 1 297 297 SER N N 15 119.004 0.07 . 1 . . . . 294 SER N . 19980 1 211 . 1 1 299 299 THR H H 1 7.371 0.016 . 1 . . . . 296 THR H . 19980 1 212 . 1 1 299 299 THR N N 15 109.277 0.07 . 1 . . . . 296 THR N . 19980 1 213 . 1 1 301 301 GLY H H 1 7.92 0.016 . 1 . . . . 298 GLY H . 19980 1 214 . 1 1 301 301 GLY N N 15 109.408 0.07 . 1 . . . . 298 GLY N . 19980 1 215 . 1 1 302 302 PHE H H 1 8.294 0.016 . 1 . . . . 299 PHE H . 19980 1 216 . 1 1 302 302 PHE N N 15 122.661 0.07 . 1 . . . . 299 PHE N . 19980 1 217 . 1 1 326 326 LYS H H 1 9.074 0.016 . 1 . . . . 323 LYS H . 19980 1 218 . 1 1 326 326 LYS N N 15 126.768 0.07 . 1 . . . . 323 LYS N . 19980 1 219 . 1 1 327 327 TYR H H 1 8.82 0.016 . 1 . . . . 324 TYR H . 19980 1 220 . 1 1 327 327 TYR N N 15 128.963 0.07 . 1 . . . . 324 TYR N . 19980 1 221 . 1 1 328 328 GLU H H 1 7.74 0.016 . 1 . . . . 325 GLU H . 19980 1 222 . 1 1 328 328 GLU N N 15 125.057 0.07 . 1 . . . . 325 GLU N . 19980 1 223 . 1 1 329 329 ASN H H 1 9.508 0.016 . 1 . . . . 326 ASN H . 19980 1 224 . 1 1 329 329 ASN N N 15 124.314 0.07 . 1 . . . . 326 ASN N . 19980 1 225 . 1 1 330 330 ASN H H 1 8.082 0.016 . 1 . . . . 327 ASN H . 19980 1 226 . 1 1 330 330 ASN N N 15 108.356 0.07 . 1 . . . . 327 ASN N . 19980 1 227 . 1 1 331 331 VAL H H 1 7.553 0.016 . 1 . . . . 328 VAL H . 19980 1 228 . 1 1 331 331 VAL N N 15 119.653 0.07 . 1 . . . . 328 VAL N . 19980 1 229 . 1 1 332 332 MET H H 1 8.644 0.016 . 1 . . . . 329 MET H . 19980 1 230 . 1 1 332 332 MET N N 15 123.912 0.07 . 1 . . . . 329 MET N . 19980 1 231 . 1 1 333 333 ASN H H 1 8.696 0.016 . 1 . . . . 330 ASN H . 19980 1 232 . 1 1 333 333 ASN N N 15 123.879 0.07 . 1 . . . . 330 ASN N . 19980 1 233 . 1 1 334 334 ILE H H 1 8.544 0.016 . 1 . . . . 331 ILE H . 19980 1 234 . 1 1 334 334 ILE N N 15 125.061 0.07 . 1 . . . . 331 ILE N . 19980 1 235 . 1 1 335 335 ARG H H 1 8.407 0.016 . 1 . . . . 332 ARG H . 19980 1 236 . 1 1 335 335 ARG N N 15 127.146 0.07 . 1 . . . . 332 ARG N . 19980 1 237 . 1 1 336 336 GLN H H 1 9.653 0.016 . 1 . . . . 333 GLN H . 19980 1 238 . 1 1 336 336 GLN N N 15 130.212 0.07 . 1 . . . . 333 GLN N . 19980 1 239 . 1 1 337 337 PHE H H 1 8.778 0.016 . 1 . . . . 334 PHE H . 19980 1 240 . 1 1 337 337 PHE N N 15 116.027 0.07 . 1 . . . . 334 PHE N . 19980 1 241 . 1 1 338 338 ASN H H 1 8.512 0.016 . 1 . . . . 335 ASN H . 19980 1 242 . 1 1 338 338 ASN N N 15 117.981 0.07 . 1 . . . . 335 ASN N . 19980 1 243 . 1 1 339 339 CYS H H 1 8.255 0.016 . 1 . . . . 336 CYS H . 19980 1 244 . 1 1 339 339 CYS N N 15 115.633 0.07 . 1 . . . . 336 CYS N . 19980 1 245 . 1 1 349 349 PHE H H 1 8.04 0.016 . 1 . . . . 346 PHE H . 19980 1 246 . 1 1 349 349 PHE N N 15 121.166 0.07 . 1 . . . . 346 PHE N . 19980 1 247 . 1 1 350 350 ASP H H 1 7.85 0.016 . 1 . . . . 347 ASP H . 19980 1 248 . 1 1 350 350 ASP N N 15 126.796 0.07 . 1 . . . . 347 ASP N . 19980 1 stop_ save_