################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 6535 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 3 3 LYS H H 1 8.454 0.02 . 1 . . . . . LYS H . 6535 1 2 . 1 1 3 3 LYS N N 15 119.62 0.03 . 1 . . . . . LYS N . 6535 1 3 . 1 1 4 4 VAL H H 1 8.299 0.02 . 1 . . . . . VAL H . 6535 1 4 . 1 1 4 4 VAL N N 15 119.16 0.03 . 1 . . . . . VAL N . 6535 1 5 . 1 1 5 5 GLU H H 1 8.480 0.02 . 1 . . . . . GLU H . 6535 1 6 . 1 1 5 5 GLU N N 15 121.58 0.03 . 1 . . . . . GLU N . 6535 1 7 . 1 1 6 6 ASP H H 1 8.332 0.02 . 1 . . . . . ASP H . 6535 1 8 . 1 1 6 6 ASP N N 15 119.92 0.03 . 1 . . . . . ASP N . 6535 1 9 . 1 1 8 8 LYS H H 1 8.491 0.02 . 1 . . . . . LYS H . 6535 1 10 . 1 1 8 8 LYS N N 15 113.66 0.03 . 1 . . . . . LYS N . 6535 1 11 . 1 1 9 9 ASP H H 1 7.789 0.02 . 1 . . . . . ASP H . 6535 1 12 . 1 1 9 9 ASP N N 15 112.98 0.03 . 1 . . . . . ASP N . 6535 1 13 . 1 1 10 10 PHE H H 1 10.390 0.02 . 1 . . . . . PHE H . 6535 1 14 . 1 1 10 10 PHE N N 15 115.59 0.03 . 1 . . . . . PHE N . 6535 1 15 . 1 1 12 12 SER H H 1 8.463 0.02 . 1 . . . . . SER H . 6535 1 16 . 1 1 12 12 SER N N 15 115.24 0.03 . 1 . . . . . SER N . 6535 1 17 . 1 1 13 13 GLU H H 1 10.870 0.02 . 1 . . . . . GLU H . 6535 1 18 . 1 1 13 13 GLU N N 15 117.48 0.03 . 1 . . . . . GLU N . 6535 1 19 . 1 1 15 15 LEU H H 1 6.981 0.02 . 1 . . . . . LEU H . 6535 1 20 . 1 1 15 15 LEU N N 15 111.93 0.03 . 1 . . . . . LEU N . 6535 1 21 . 1 1 17 17 PHE H H 1 7.155 0.02 . 1 . . . . . PHE H . 6535 1 22 . 1 1 17 17 PHE N N 15 114.51 0.03 . 1 . . . . . PHE N . 6535 1 23 . 1 1 18 18 LEU H H 1 7.067 0.02 . 1 . . . . . LEU H . 6535 1 24 . 1 1 18 18 LEU N N 15 114.24 0.03 . 1 . . . . . LEU N . 6535 1 25 . 1 1 19 19 SER H H 1 8.081 0.02 . 1 . . . . . SER H . 6535 1 26 . 1 1 19 19 SER N N 15 108.19 0.03 . 1 . . . . . SER N . 6535 1 27 . 1 1 21 21 ALA H H 1 7.564 0.02 . 1 . . . . . ALA H . 6535 1 28 . 1 1 21 21 ALA N N 15 121.08 0.03 . 1 . . . . . ALA N . 6535 1 29 . 1 1 22 22 VAL H H 1 8.446 0.02 . 1 . . . . . VAL H . 6535 1 30 . 1 1 22 22 VAL N N 15 116.32 0.03 . 1 . . . . . VAL N . 6535 1 31 . 1 1 23 23 PHE H H 1 8.305 0.02 . 1 . . . . . PHE H . 6535 1 32 . 1 1 23 23 PHE N N 15 116.29 0.03 . 1 . . . . . PHE N . 6535 1 33 . 1 1 24 24 SER H H 1 7.646 0.02 . 1 . . . . . SER H . 6535 1 34 . 1 1 24 24 SER N N 15 111.76 0.03 . 1 . . . . . SER N . 6535 1 35 . 1 1 26 26 ARG H H 1 8.134 0.02 . 1 . . . . . ARG H . 6535 1 36 . 1 1 26 26 ARG N N 15 117.24 0.03 . 1 . . . . . ARG N . 6535 1 37 . 1 1 27 27 THR H H 1 8.436 0.02 . 1 . . . . . THR H . 6535 1 38 . 1 1 27 27 THR N N 15 111.00 0.03 . 1 . . . . . THR N . 6535 1 39 . 1 1 28 28 LEU H H 1 8.915 0.02 . 1 . . . . . LEU H . 6535 1 40 . 1 1 28 28 LEU N N 15 118.67 0.03 . 1 . . . . . LEU N . 6535 1 41 . 1 1 29 29 ALA H H 1 8.768 0.02 . 1 . . . . . ALA H . 6535 1 42 . 1 1 29 29 ALA N N 15 116.27 0.03 . 1 . . . . . ALA N . 6535 1 43 . 1 1 30 30 CYS H H 1 6.152 0.02 . 1 . . . . . CYS H . 6535 1 44 . 1 1 30 30 CYS N N 15 115.46 0.03 . 1 . . . . . CYS N . 6535 1 45 . 1 1 31 31 PHE H H 1 8.025 0.02 . 1 . . . . . PHE H . 6535 1 46 . 1 1 31 31 PHE N N 15 120.71 0.03 . 1 . . . . . PHE N . 6535 1 47 . 1 1 32 32 ALA H H 1 8.764 0.02 . 1 . . . . . ALA H . 6535 1 48 . 1 1 32 32 ALA N N 15 114.16 0.03 . 1 . . . . . ALA N . 6535 1 49 . 1 1 33 33 ILE H H 1 9.539 0.02 . 1 . . . . . ILE H . 6535 1 50 . 1 1 33 33 ILE N N 15 116.43 0.03 . 1 . . . . . ILE N . 6535 1 51 . 1 1 34 34 TYR H H 1 9.489 0.02 . 1 . . . . . TYR H . 6535 1 52 . 1 1 34 34 TYR N N 15 127.90 0.03 . 1 . . . . . TYR N . 6535 1 53 . 1 1 35 35 THR H H 1 8.738 0.02 . 1 . . . . . THR H . 6535 1 54 . 1 1 35 35 THR N N 15 116.08 0.03 . 1 . . . . . THR N . 6535 1 55 . 1 1 36 36 THR H H 1 8.216 0.02 . 1 . . . . . THR H . 6535 1 56 . 1 1 36 36 THR N N 15 106.71 0.03 . 1 . . . . . THR N . 6535 1 57 . 1 1 37 37 LYS H H 1 9.682 0.02 . 1 . . . . . LYS H . 6535 1 58 . 1 1 37 37 LYS N N 15 117.67 0.03 . 1 . . . . . LYS N . 6535 1 59 . 1 1 38 38 GLU H H 1 8.841 0.02 . 1 . . . . . GLU H . 6535 1 60 . 1 1 38 38 GLU N N 15 113.41 0.03 . 1 . . . . . GLU N . 6535 1 61 . 1 1 39 39 LYS H H 1 7.419 0.02 . 1 . . . . . LYS H . 6535 1 62 . 1 1 39 39 LYS N N 15 112.88 0.03 . 1 . . . . . LYS N . 6535 1 63 . 1 1 40 40 ALA H H 1 9.183 0.02 . 1 . . . . . ALA H . 6535 1 64 . 1 1 40 40 ALA N N 15 119.24 0.03 . 1 . . . . . ALA N . 6535 1 65 . 1 1 41 41 ALA H H 1 7.978 0.02 . 1 . . . . . ALA H . 6535 1 66 . 1 1 41 41 ALA N N 15 115.62 0.03 . 1 . . . . . ALA N . 6535 1 67 . 1 1 42 42 LEU H H 1 6.929 0.02 . 1 . . . . . LEU H . 6535 1 68 . 1 1 42 42 LEU N N 15 114.47 0.03 . 1 . . . . . LEU N . 6535 1 69 . 1 1 43 43 LEU H H 1 8.829 0.02 . 1 . . . . . LEU H . 6535 1 70 . 1 1 43 43 LEU N N 15 114.56 0.03 . 1 . . . . . LEU N . 6535 1 71 . 1 1 44 44 TYR H H 1 8.213 0.02 . 1 . . . . . TYR H . 6535 1 72 . 1 1 44 44 TYR N N 15 116.42 0.03 . 1 . . . . . TYR N . 6535 1 73 . 1 1 45 45 LYS H H 1 6.862 0.02 . 1 . . . . . LYS H . 6535 1 74 . 1 1 45 45 LYS N N 15 108.95 0.03 . 1 . . . . . LYS N . 6535 1 75 . 1 1 46 46 LYS H H 1 7.746 0.02 . 1 . . . . . LYS H . 6535 1 76 . 1 1 46 46 LYS N N 15 113.62 0.03 . 1 . . . . . LYS N . 6535 1 77 . 1 1 47 47 ILE H H 1 9.374 0.02 . 1 . . . . . ILE H . 6535 1 78 . 1 1 47 47 ILE N N 15 115.85 0.03 . 1 . . . . . ILE N . 6535 1 79 . 1 1 48 48 MET H H 1 6.767 0.02 . 1 . . . . . MET H . 6535 1 80 . 1 1 48 48 MET N N 15 113.49 0.03 . 1 . . . . . MET N . 6535 1 81 . 1 1 49 49 GLU H H 1 7.203 0.02 . 1 . . . . . GLU H . 6535 1 82 . 1 1 49 49 GLU N N 15 111.54 0.03 . 1 . . . . . GLU N . 6535 1 83 . 1 1 51 51 TYR H H 1 7.834 0.02 . 1 . . . . . TYR H . 6535 1 84 . 1 1 51 51 TYR N N 15 107.49 0.03 . 1 . . . . . TYR N . 6535 1 85 . 1 1 52 52 SER H H 1 7.405 0.02 . 1 . . . . . SER H . 6535 1 86 . 1 1 52 52 SER N N 15 110.39 0.03 . 1 . . . . . SER N . 6535 1 87 . 1 1 53 53 VAL H H 1 6.403 0.02 . 1 . . . . . VAL H . 6535 1 88 . 1 1 53 53 VAL N N 15 101.63 0.03 . 1 . . . . . VAL N . 6535 1 89 . 1 1 54 54 THR H H 1 8.541 0.02 . 1 . . . . . THR H . 6535 1 90 . 1 1 54 54 THR N N 15 112.15 0.03 . 1 . . . . . THR N . 6535 1 91 . 1 1 55 55 PHE H H 1 7.468 0.02 . 1 . . . . . PHE H . 6535 1 92 . 1 1 55 55 PHE N N 15 115.39 0.03 . 1 . . . . . PHE N . 6535 1 93 . 1 1 56 56 ILE H H 1 7.687 0.02 . 1 . . . . . ILE H . 6535 1 94 . 1 1 56 56 ILE N N 15 122.55 0.03 . 1 . . . . . ILE N . 6535 1 95 . 1 1 57 57 SER H H 1 9.92 0.02 . 1 . . . . . SER H . 6535 1 96 . 1 1 57 57 SER N N 15 114.63 0.03 . 1 . . . . . SER N . 6535 1 97 . 1 1 58 58 ARG H H 1 9.145 0.02 . 1 . . . . . ARG H . 6535 1 98 . 1 1 58 58 ARG N N 15 117.94 0.03 . 1 . . . . . ARG N . 6535 1 99 . 1 1 59 59 HIS H H 1 9.808 0.02 . 1 . . . . . HIS H . 6535 1 100 . 1 1 59 59 HIS N N 15 120.79 0.03 . 1 . . . . . HIS N . 6535 1 101 . 1 1 60 60 ASN H H 1 8.976 0.02 . 1 . . . . . ASN H . 6535 1 102 . 1 1 60 60 ASN N N 15 118.32 0.03 . 1 . . . . . ASN N . 6535 1 103 . 1 1 61 61 SER H H 1 7.946 0.02 . 1 . . . . . SER H . 6535 1 104 . 1 1 61 61 SER N N 15 111.17 0.03 . 1 . . . . . SER N . 6535 1 105 . 1 1 62 62 TYR H H 1 9.241 0.02 . 1 . . . . . TYR H . 6535 1 106 . 1 1 62 62 TYR N N 15 123.12 0.03 . 1 . . . . . TYR N . 6535 1 107 . 1 1 63 63 ASN H H 1 8.712 0.02 . 1 . . . . . ASN H . 6535 1 108 . 1 1 63 63 ASN N N 15 110.40 0.03 . 1 . . . . . ASN N . 6535 1 109 . 1 1 64 64 HIS H H 1 8.637 0.02 . 1 . . . . . HIS H . 6535 1 110 . 1 1 64 64 HIS N N 15 116.81 0.03 . 1 . . . . . HIS N . 6535 1 111 . 1 1 65 65 ASN H H 1 9.547 0.02 . 1 . . . . . ASN H . 6535 1 112 . 1 1 65 65 ASN N N 15 118.09 0.03 . 1 . . . . . ASN N . 6535 1 113 . 1 1 66 66 ILE H H 1 8.952 0.02 . 1 . . . . . ILE H . 6535 1 114 . 1 1 66 66 ILE N N 15 113.81 0.03 . 1 . . . . . ILE N . 6535 1 115 . 1 1 67 67 LEU H H 1 10.020 0.02 . 1 . . . . . LEU H . 6535 1 116 . 1 1 67 67 LEU N N 15 124.36 0.03 . 1 . . . . . LEU N . 6535 1 117 . 1 1 68 68 PHE H H 1 9.779 0.02 . 1 . . . . . PHE H . 6535 1 118 . 1 1 68 68 PHE N N 15 123.55 0.03 . 1 . . . . . PHE N . 6535 1 119 . 1 1 70 70 LEU H H 1 8.518 0.02 . 1 . . . . . LEU H . 6535 1 120 . 1 1 70 70 LEU N N 15 116.53 0.03 . 1 . . . . . LEU N . 6535 1 121 . 1 1 71 71 THR H H 1 9.333 0.02 . 1 . . . . . THR H . 6535 1 122 . 1 1 71 71 THR N N 15 109.28 0.03 . 1 . . . . . THR N . 6535 1 123 . 1 1 73 73 HIS H H 1 7.050 0.02 . 1 . . . . . HIS H . 6535 1 124 . 1 1 73 73 HIS N N 15 112.79 0.03 . 1 . . . . . HIS N . 6535 1 125 . 1 1 75 75 HIS H H 1 9.421 0.02 . 1 . . . . . HIS H . 6535 1 126 . 1 1 75 75 HIS N N 15 113.86 0.03 . 1 . . . . . HIS N . 6535 1 127 . 1 1 76 76 ARG H H 1 9.217 0.02 . 1 . . . . . ARG H . 6535 1 128 . 1 1 76 76 ARG N N 15 117.80 0.03 . 1 . . . . . ARG N . 6535 1 129 . 1 1 77 77 VAL H H 1 9.288 0.02 . 1 . . . . . VAL H . 6535 1 130 . 1 1 77 77 VAL N N 15 121.24 0.03 . 1 . . . . . VAL N . 6535 1 131 . 1 1 78 78 SER H H 1 8.599 0.02 . 1 . . . . . SER H . 6535 1 132 . 1 1 78 78 SER N N 15 108.05 0.03 . 1 . . . . . SER N . 6535 1 133 . 1 1 79 79 ALA H H 1 7.125 0.02 . 1 . . . . . ALA H . 6535 1 134 . 1 1 79 79 ALA N N 15 121.61 0.03 . 1 . . . . . ALA N . 6535 1 135 . 1 1 81 81 ASN H H 1 8.671 0.02 . 1 . . . . . ASN H . 6535 1 136 . 1 1 81 81 ASN N N 15 113.43 0.03 . 1 . . . . . ASN N . 6535 1 137 . 1 1 82 82 ASN H H 1 8.266 0.02 . 1 . . . . . ASN H . 6535 1 138 . 1 1 82 82 ASN N N 15 112.19 0.03 . 1 . . . . . ASN N . 6535 1 139 . 1 1 83 83 TYR H H 1 7.558 0.02 . 1 . . . . . TYR H . 6535 1 140 . 1 1 83 83 TYR N N 15 115.47 0.03 . 1 . . . . . TYR N . 6535 1 141 . 1 1 84 84 ALA H H 1 8.386 0.02 . 1 . . . . . ALA H . 6535 1 142 . 1 1 84 84 ALA N N 15 115.40 0.03 . 1 . . . . . ALA N . 6535 1 143 . 1 1 85 85 GLN H H 1 8.857 0.02 . 1 . . . . . GLN H . 6535 1 144 . 1 1 85 85 GLN N N 15 112.08 0.03 . 1 . . . . . GLN N . 6535 1 145 . 1 1 86 86 LYS H H 1 7.120 0.02 . 1 . . . . . LYS H . 6535 1 146 . 1 1 86 86 LYS N N 15 112.81 0.03 . 1 . . . . . LYS N . 6535 1 147 . 1 1 87 87 LEU H H 1 6.952 0.02 . 1 . . . . . LEU H . 6535 1 148 . 1 1 87 87 LEU N N 15 113.15 0.03 . 1 . . . . . LEU N . 6535 1 149 . 1 1 88 88 CYS H H 1 7.608 0.02 . 1 . . . . . CYS H . 6535 1 150 . 1 1 88 88 CYS N N 15 112.57 0.03 . 1 . . . . . CYS N . 6535 1 151 . 1 1 93 93 LEU H H 1 8.143 0.02 . 1 . . . . . LEU H . 6535 1 152 . 1 1 93 93 LEU N N 15 119.85 0.03 . 1 . . . . . LEU N . 6535 1 153 . 1 1 94 94 ILE H H 1 8.868 0.02 . 1 . . . . . ILE H . 6535 1 154 . 1 1 94 94 ILE N N 15 122.88 0.03 . 1 . . . . . ILE N . 6535 1 155 . 1 1 95 95 CYS H H 1 8.979 0.02 . 1 . . . . . CYS H . 6535 1 156 . 1 1 95 95 CYS N N 15 125.15 0.03 . 1 . . . . . CYS N . 6535 1 157 . 1 1 96 96 LYS H H 1 9.135 0.02 . 1 . . . . . LYS H . 6535 1 158 . 1 1 96 96 LYS N N 15 121.26 0.03 . 1 . . . . . LYS N . 6535 1 159 . 1 1 97 97 GLY H H 1 9.096 0.02 . 1 . . . . . GLY H . 6535 1 160 . 1 1 97 97 GLY N N 15 103.03 0.03 . 1 . . . . . GLY N . 6535 1 161 . 1 1 98 98 VAL H H 1 7.705 0.02 . 1 . . . . . VAL H . 6535 1 162 . 1 1 98 98 VAL N N 15 119.10 0.03 . 1 . . . . . VAL N . 6535 1 163 . 1 1 99 99 ASN H H 1 8.143 0.02 . 1 . . . . . ASN H . 6535 1 164 . 1 1 99 99 ASN N N 15 119.02 0.03 . 1 . . . . . ASN N . 6535 1 165 . 1 1 100 100 LYS H H 1 7.176 0.02 . 1 . . . . . LYS H . 6535 1 166 . 1 1 100 100 LYS N N 15 115.74 0.03 . 1 . . . . . LYS N . 6535 1 167 . 1 1 101 101 GLU H H 1 9.25 0.02 . 1 . . . . . GLU H . 6535 1 168 . 1 1 101 101 GLU N N 15 117.40 0.03 . 1 . . . . . GLU N . 6535 1 169 . 1 1 102 102 TYR H H 1 8.419 0.02 . 1 . . . . . TYR H . 6535 1 170 . 1 1 102 102 TYR N N 15 113.68 0.03 . 1 . . . . . TYR N . 6535 1 171 . 1 1 103 103 LEU H H 1 7.988 0.02 . 1 . . . . . LEU H . 6535 1 172 . 1 1 103 103 LEU N N 15 115.13 0.03 . 1 . . . . . LEU N . 6535 1 173 . 1 1 104 104 MET H H 1 7.260 0.02 . 1 . . . . . MET H . 6535 1 174 . 1 1 104 104 MET N N 15 113.84 0.03 . 1 . . . . . MET N . 6535 1 175 . 1 1 105 105 TYR H H 1 7.356 0.02 . 1 . . . . . TYR H . 6535 1 176 . 1 1 105 105 TYR N N 15 113.40 0.03 . 1 . . . . . TYR N . 6535 1 177 . 1 1 106 106 SER H H 1 7.961 0.02 . 1 . . . . . SER H . 6535 1 178 . 1 1 106 106 SER N N 15 105.48 0.03 . 1 . . . . . SER N . 6535 1 179 . 1 1 107 107 ALA H H 1 7.469 0.02 . 1 . . . . . ALA H . 6535 1 180 . 1 1 107 107 ALA N N 15 120.08 0.03 . 1 . . . . . ALA N . 6535 1 181 . 1 1 108 108 LEU H H 1 7.178 0.02 . 1 . . . . . LEU H . 6535 1 182 . 1 1 108 108 LEU N N 15 111.46 0.03 . 1 . . . . . LEU N . 6535 1 183 . 1 1 110 110 ARG H H 1 7.517 0.02 . 1 . . . . . ARG H . 6535 1 184 . 1 1 110 110 ARG N N 15 118.51 0.03 . 1 . . . . . ARG N . 6535 1 185 . 1 1 111 111 ASP H H 1 8.098 0.02 . 1 . . . . . ASP H . 6535 1 186 . 1 1 111 111 ASP N N 15 115.97 0.03 . 1 . . . . . ASP N . 6535 1 187 . 1 1 113 113 PHE H H 1 9.060 0.02 . 1 . . . . . PHE H . 6535 1 188 . 1 1 113 113 PHE N N 15 127.39 0.03 . 1 . . . . . PHE N . 6535 1 189 . 1 1 114 114 SER H H 1 7.221 0.02 . 1 . . . . . SER H . 6535 1 190 . 1 1 114 114 SER N N 15 102.79 0.03 . 1 . . . . . SER N . 6535 1 191 . 1 1 115 115 VAL H H 1 9.160 0.02 . 1 . . . . . VAL H . 6535 1 192 . 1 1 115 115 VAL N N 15 118.62 0.03 . 1 . . . . . VAL N . 6535 1 193 . 1 1 116 116 ILE H H 1 9.351 0.02 . 1 . . . . . ILE H . 6535 1 194 . 1 1 116 116 ILE N N 15 124.94 0.03 . 1 . . . . . ILE N . 6535 1 195 . 1 1 117 117 GLU H H 1 7.335 0.02 . 1 . . . . . GLU H . 6535 1 196 . 1 1 117 117 GLU N N 15 110.09 0.03 . 1 . . . . . GLU N . 6535 1 197 . 1 1 118 118 GLU H H 1 8.368 0.02 . 1 . . . . . GLU H . 6535 1 198 . 1 1 118 118 GLU N N 15 112.87 0.03 . 1 . . . . . GLU N . 6535 1 199 . 1 1 119 119 SER H H 1 8.818 0.02 . 1 . . . . . SER H . 6535 1 200 . 1 1 119 119 SER N N 15 110.91 0.03 . 1 . . . . . SER N . 6535 1 201 . 1 1 120 120 LEU H H 1 6.803 0.02 . 1 . . . . . LEU H . 6535 1 202 . 1 1 120 120 LEU N N 15 118.88 0.03 . 1 . . . . . LEU N . 6535 1 203 . 1 1 122 122 GLY H H 1 9.213 0.02 . 1 . . . . . GLY H . 6535 1 204 . 1 1 122 122 GLY N N 15 112.13 0.03 . 1 . . . . . GLY N . 6535 1 205 . 1 1 123 123 GLY H H 1 8.282 0.02 . 1 . . . . . GLY H . 6535 1 206 . 1 1 123 123 GLY N N 15 104.15 0.03 . 1 . . . . . GLY N . 6535 1 207 . 1 1 124 124 LEU H H 1 5.775 0.02 . 1 . . . . . LEU H . 6535 1 208 . 1 1 124 124 LEU N N 15 114.39 0.03 . 1 . . . . . LEU N . 6535 1 209 . 1 1 126 126 GLU H H 1 8.237 0.02 . 1 . . . . . GLU H . 6535 1 210 . 1 1 126 126 GLU N N 15 117.37 0.03 . 1 . . . . . GLU N . 6535 1 211 . 1 1 127 127 HIS H H 1 7.745 0.02 . 1 . . . . . HIS H . 6535 1 212 . 1 1 127 127 HIS N N 15 109.59 0.03 . 1 . . . . . HIS N . 6535 1 213 . 1 1 128 128 ASP H H 1 7.603 0.02 . 1 . . . . . ASP H . 6535 1 214 . 1 1 128 128 ASP N N 15 115.57 0.03 . 1 . . . . . ASP N . 6535 1 215 . 1 1 129 129 PHE H H 1 7.464 0.02 . 1 . . . . . PHE H . 6535 1 216 . 1 1 129 129 PHE N N 15 113.39 0.03 . 1 . . . . . PHE N . 6535 1 217 . 2 2 1 1 ALA H H 1 8.489 0.02 . 1 . . . . . ALA H . 6535 1 218 . 2 2 1 1 ALA N N 15 125.05 0.03 . 1 . . . . . ALA N . 6535 1 219 . 2 2 2 2 ASN H H 1 8.212 0.02 . 1 . . . . . ASN H . 6535 1 220 . 2 2 2 2 ASN N N 15 116.60 0.03 . 1 . . . . . ASN N . 6535 1 221 . 2 2 3 3 GLY H H 1 8.313 0.02 . 1 . . . . . GLY H . 6535 1 222 . 2 2 3 3 GLY N N 15 108.08 0.03 . 1 . . . . . GLY N . 6535 1 223 . 2 2 4 4 LEU H H 1 7.702 0.02 . 1 . . . . . LEU H . 6535 1 224 . 2 2 4 4 LEU N N 15 120.77 0.03 . 1 . . . . . LEU N . 6535 1 225 . 2 2 5 5 THR H H 1 8.055 0.02 . 1 . . . . . THR H . 6535 1 226 . 2 2 5 5 THR N N 15 111.09 0.03 . 1 . . . . . THR N . 6535 1 227 . 2 2 6 6 VAL H H 1 8.624 0.02 . 1 . . . . . VAL H . 6535 1 228 . 2 2 6 6 VAL N N 15 121.32 0.03 . 1 . . . . . VAL N . 6535 1 229 . 2 2 7 7 ALA H H 1 8.353 0.02 . 1 . . . . . ALA H . 6535 1 230 . 2 2 7 7 ALA N N 15 121.13 0.03 . 1 . . . . . ALA N . 6535 1 231 . 2 2 8 8 GLN H H 1 7.474 0.02 . 1 . . . . . GLN H . 6535 1 232 . 2 2 8 8 GLN N N 15 114.70 0.03 . 1 . . . . . GLN N . 6535 1 233 . 2 2 9 9 ASN H H 1 8.648 0.02 . 1 . . . . . ASN H . 6535 1 234 . 2 2 9 9 ASN N N 15 116.81 0.03 . 1 . . . . . ASN N . 6535 1 235 . 2 2 10 10 GLN H H 1 8.399 0.02 . 1 . . . . . GLN H . 6535 1 236 . 2 2 10 10 GLN N N 15 119.58 0.03 . 1 . . . . . GLN N . 6535 1 237 . 2 2 11 11 VAL H H 1 7.700 0.02 . 1 . . . . . VAL H . 6535 1 238 . 2 2 11 11 VAL N N 15 118.71 0.03 . 1 . . . . . VAL N . 6535 1 239 . 2 2 13 13 ASN H H 1 8.617 0.02 . 1 . . . . . ASN H . 6535 1 240 . 2 2 13 13 ASN N N 15 116.25 0.03 . 1 . . . . . ASN N . 6535 1 241 . 2 2 14 14 LEU H H 1 7.382 0.02 . 1 . . . . . LEU H . 6535 1 242 . 2 2 14 14 LEU N N 15 120.35 0.03 . 1 . . . . . LEU N . 6535 1 243 . 2 2 15 15 ILE H H 1 7.743 0.02 . 1 . . . . . ILE H . 6535 1 244 . 2 2 15 15 ILE N N 15 120.27 0.03 . 1 . . . . . ILE N . 6535 1 245 . 2 2 16 16 LYS H H 1 9.011 0.02 . 1 . . . . . LYS H . 6535 1 246 . 2 2 16 16 LYS N N 15 120.52 0.03 . 1 . . . . . LYS N . 6535 1 247 . 2 2 17 17 ALA H H 1 7.300 0.02 . 1 . . . . . ALA H . 6535 1 248 . 2 2 17 17 ALA N N 15 117.80 0.03 . 1 . . . . . ALA N . 6535 1 249 . 2 2 18 18 CYS H H 1 7.293 0.02 . 1 . . . . . CYS H . 6535 1 250 . 2 2 18 18 CYS N N 15 120.75 0.03 . 1 . . . . . CYS N . 6535 1 251 . 2 2 20 20 ARG H H 1 7.625 0.02 . 1 . . . . . ARG H . 6535 1 252 . 2 2 20 20 ARG N N 15 122.31 0.03 . 1 . . . . . ARG N . 6535 1 253 . 2 2 22 22 GLU H H 1 9.954 0.02 . 1 . . . . . GLU H . 6535 1 254 . 2 2 22 22 GLU N N 15 115.74 0.03 . 1 . . . . . GLU N . 6535 1 255 . 2 2 23 23 GLY H H 1 7.498 0.02 . 1 . . . . . GLY H . 6535 1 256 . 2 2 23 23 GLY N N 15 108.26 0.03 . 1 . . . . . GLY N . 6535 1 257 . 2 2 25 25 ASN H H 1 8.796 0.02 . 1 . . . . . ASN H . 6535 1 258 . 2 2 25 25 ASN N N 15 122.30 0.03 . 1 . . . . . ASN N . 6535 1 259 . 2 2 28 28 ASP H H 1 7.967 0.02 . 1 . . . . . ASP H . 6535 1 260 . 2 2 28 28 ASP N N 15 119.21 0.03 . 1 . . . . . ASP N . 6535 1 261 . 2 2 29 29 LEU H H 1 7.745 0.02 . 1 . . . . . LEU H . 6535 1 262 . 2 2 29 29 LEU N N 15 120.12 0.03 . 1 . . . . . LEU N . 6535 1 263 . 2 2 30 30 LYS H H 1 7.974 0.02 . 1 . . . . . LYS H . 6535 1 264 . 2 2 30 30 LYS N N 15 117.35 0.03 . 1 . . . . . LYS N . 6535 1 265 . 2 2 31 31 ASN H H 1 7.853 0.02 . 1 . . . . . ASN H . 6535 1 266 . 2 2 31 31 ASN N N 15 115.35 0.03 . 1 . . . . . ASN N . 6535 1 267 . 2 2 32 32 GLN H H 1 7.645 0.02 . 1 . . . . . GLN H . 6535 1 268 . 2 2 32 32 GLN N N 15 116.56 0.03 . 1 . . . . . GLN N . 6535 1 269 . 2 2 33 33 LEU H H 1 7.697 0.02 . 1 . . . . . LEU H . 6535 1 270 . 2 2 33 33 LEU N N 15 123.59 0.03 . 1 . . . . . LEU N . 6535 1 271 . 2 2 34 34 LYS H H 1 7.571 0.02 . 1 . . . . . LYS H . 6535 1 272 . 2 2 34 34 LYS N N 15 118.37 0.03 . 1 . . . . . LYS N . 6535 1 273 . 2 2 35 35 HIS H H 1 8.519 0.02 . 1 . . . . . HIS H . 6535 1 274 . 2 2 35 35 HIS N N 15 114.49 0.03 . 1 . . . . . HIS N . 6535 1 275 . 2 2 36 36 MET H H 1 7.607 0.02 . 1 . . . . . MET H . 6535 1 276 . 2 2 36 36 MET N N 15 122.31 0.03 . 1 . . . . . MET N . 6535 1 277 . 2 2 37 37 SER H H 1 8.519 0.02 . 1 . . . . . SER H . 6535 1 278 . 2 2 37 37 SER N N 15 117.33 0.03 . 1 . . . . . SER N . 6535 1 279 . 2 2 39 39 SER H H 1 8.413 0.02 . 1 . . . . . SER H . 6535 1 280 . 2 2 39 39 SER N N 15 122.51 0.03 . 1 . . . . . SER N . 6535 1 281 . 2 2 40 40 SER H H 1 7.993 0.02 . 1 . . . . . SER H . 6535 1 282 . 2 2 40 40 SER N N 15 119.58 0.03 . 1 . . . . . SER N . 6535 1 283 . 2 2 42 42 LYS H H 1 8.694 0.02 . 1 . . . . . LYS H . 6535 1 284 . 2 2 42 42 LYS N N 15 120.42 0.03 . 1 . . . . . LYS N . 6535 1 285 . 2 2 43 43 GLN H H 1 8.217 0.02 . 1 . . . . . GLN H . 6535 1 286 . 2 2 43 43 GLN N N 15 117.15 0.03 . 1 . . . . . GLN N . 6535 1 287 . 2 2 44 44 ALA H H 1 7.801 0.02 . 1 . . . . . ALA H . 6535 1 288 . 2 2 44 44 ALA N N 15 122.49 0.03 . 1 . . . . . ALA N . 6535 1 289 . 2 2 45 45 VAL H H 1 8.573 0.02 . 1 . . . . . VAL H . 6535 1 290 . 2 2 45 45 VAL N N 15 118.12 0.03 . 1 . . . . . VAL N . 6535 1 291 . 2 2 46 46 ASP H H 1 8.645 0.02 . 1 . . . . . ASP H . 6535 1 292 . 2 2 46 46 ASP N N 15 122.05 0.03 . 1 . . . . . ASP N . 6535 1 293 . 2 2 47 47 PHE H H 1 8.045 0.02 . 1 . . . . . PHE H . 6535 1 294 . 2 2 47 47 PHE N N 15 121.03 0.03 . 1 . . . . . PHE N . 6535 1 295 . 2 2 48 48 LEU H H 1 8.784 0.02 . 1 . . . . . LEU H . 6535 1 296 . 2 2 48 48 LEU N N 15 117.89 0.03 . 1 . . . . . LEU N . 6535 1 297 . 2 2 49 49 SER H H 1 8.605 0.02 . 1 . . . . . SER H . 6535 1 298 . 2 2 49 49 SER N N 15 115.77 0.03 . 1 . . . . . SER N . 6535 1 299 . 2 2 50 50 ASN H H 1 8.490 0.02 . 1 . . . . . ASN H . 6535 1 300 . 2 2 50 50 ASN N N 15 123.36 0.03 . 1 . . . . . ASN N . 6535 1 301 . 2 2 51 51 GLU H H 1 7.954 0.02 . 1 . . . . . GLU H . 6535 1 302 . 2 2 51 51 GLU N N 15 115.02 0.03 . 1 . . . . . GLU N . 6535 1 303 . 2 2 52 52 GLY H H 1 7.544 0.02 . 1 . . . . . GLY H . 6535 1 304 . 2 2 52 52 GLY N N 15 105.22 0.03 . 1 . . . . . GLY N . 6535 1 305 . 2 2 53 53 HIS H H 1 8.399 0.02 . 1 . . . . . HIS H . 6535 1 306 . 2 2 53 53 HIS N N 15 118.48 0.03 . 1 . . . . . HIS N . 6535 1 307 . 2 2 54 54 ILE H H 1 7.377 0.02 . 1 . . . . . ILE H . 6535 1 308 . 2 2 54 54 ILE N N 15 109.08 0.03 . 1 . . . . . ILE N . 6535 1 309 . 2 2 55 55 TYR H H 1 9.100 0.02 . 1 . . . . . TYR H . 6535 1 310 . 2 2 55 55 TYR N N 15 117.26 0.03 . 1 . . . . . TYR N . 6535 1 311 . 2 2 59 59 ASP H H 1 7.832 0.02 . 1 . . . . . ASP H . 6535 1 312 . 2 2 59 59 ASP N N 15 116.98 0.03 . 1 . . . . . ASP N . 6535 1 313 . 2 2 60 60 ASP H H 1 8.092 0.02 . 1 . . . . . ASP H . 6535 1 314 . 2 2 60 60 ASP N N 15 114.25 0.03 . 1 . . . . . ASP N . 6535 1 315 . 2 2 61 61 ASP H H 1 8.490 0.02 . 1 . . . . . ASP H . 6535 1 316 . 2 2 61 61 ASP N N 15 117.13 0.03 . 1 . . . . . ASP N . 6535 1 317 . 2 2 62 62 HIS H H 1 6.882 0.02 . 1 . . . . . HIS H . 6535 1 318 . 2 2 62 62 HIS N N 15 116.11 0.03 . 1 . . . . . HIS N . 6535 1 319 . 2 2 64 64 LYS H H 1 8.515 0.02 . 1 . . . . . LYS H . 6535 1 320 . 2 2 64 64 LYS N N 15 120.16 0.03 . 1 . . . . . LYS N . 6535 1 321 . 2 2 65 65 SER H H 1 8.637 0.02 . 1 . . . . . SER H . 6535 1 322 . 2 2 65 65 SER N N 15 114.66 0.03 . 1 . . . . . SER N . 6535 1 323 . 2 2 66 66 THR H H 1 8.231 0.02 . 1 . . . . . THR H . 6535 1 324 . 2 2 66 66 THR N N 15 119.07 0.03 . 1 . . . . . THR N . 6535 1 325 . 2 2 67 67 ASP H H 1 8.487 0.02 . 1 . . . . . ASP H . 6535 1 326 . 2 2 67 67 ASP N N 15 121.83 0.03 . 1 . . . . . ASP N . 6535 1 327 . 2 2 68 68 ALA H H 1 8.130 0.02 . 1 . . . . . ALA H . 6535 1 328 . 2 2 68 68 ALA N N 15 124.93 0.03 . 1 . . . . . ALA N . 6535 1 329 . 2 2 69 69 GLU H H 1 8.017 0.02 . 1 . . . . . GLU H . 6535 1 330 . 2 2 69 69 GLU N N 15 125.38 0.03 . 1 . . . . . GLU N . 6535 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 6535 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 2 $sample_2 isotropic 6535 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 . 2 2 1 1 ALA H H 1 8.489 0.02 . 1 . . . . . ALA H . 6535 2 2 . 2 2 1 1 ALA N N 15 125.05 0.03 . 1 . . . . . ALA N . 6535 2 3 . 2 2 2 2 ASN H H 1 8.212 0.02 . 1 . . . . . ASN H . 6535 2 4 . 2 2 2 2 ASN N N 15 116.60 0.03 . 1 . . . . . ASN N . 6535 2 5 . 2 2 3 3 GLY H H 1 8.313 0.02 . 1 . . . . . GLY H . 6535 2 6 . 2 2 3 3 GLY N N 15 108.08 0.03 . 1 . . . . . GLY N . 6535 2 7 . 2 2 4 4 LEU H H 1 7.702 0.02 . 1 . . . . . LEU H . 6535 2 8 . 2 2 4 4 LEU N N 15 120.77 0.03 . 1 . . . . . LEU N . 6535 2 9 . 2 2 5 5 THR H H 1 8.055 0.02 . 1 . . . . . THR H . 6535 2 10 . 2 2 5 5 THR N N 15 111.09 0.03 . 1 . . . . . THR N . 6535 2 11 . 2 2 6 6 VAL H H 1 8.624 0.02 . 1 . . . . . VAL H . 6535 2 12 . 2 2 6 6 VAL N N 15 121.32 0.03 . 1 . . . . . VAL N . 6535 2 13 . 2 2 7 7 ALA H H 1 8.353 0.02 . 1 . . . . . ALA H . 6535 2 14 . 2 2 7 7 ALA N N 15 121.13 0.03 . 1 . . . . . ALA N . 6535 2 15 . 2 2 8 8 GLN H H 1 7.474 0.02 . 1 . . . . . GLN H . 6535 2 16 . 2 2 8 8 GLN N N 15 114.70 0.03 . 1 . . . . . GLN N . 6535 2 17 . 2 2 9 9 ASN H H 1 8.648 0.02 . 1 . . . . . ASN H . 6535 2 18 . 2 2 9 9 ASN N N 15 116.81 0.03 . 1 . . . . . ASN N . 6535 2 19 . 2 2 10 10 GLN H H 1 8.399 0.02 . 1 . . . . . GLN H . 6535 2 20 . 2 2 10 10 GLN N N 15 119.58 0.03 . 1 . . . . . GLN N . 6535 2 21 . 2 2 11 11 VAL H H 1 7.700 0.02 . 1 . . . . . VAL H . 6535 2 22 . 2 2 11 11 VAL N N 15 118.71 0.03 . 1 . . . . . VAL N . 6535 2 23 . 2 2 13 13 ASN H H 1 8.617 0.02 . 1 . . . . . ASN H . 6535 2 24 . 2 2 13 13 ASN N N 15 116.25 0.03 . 1 . . . . . ASN N . 6535 2 25 . 2 2 14 14 LEU H H 1 7.382 0.02 . 1 . . . . . LEU H . 6535 2 26 . 2 2 14 14 LEU N N 15 120.35 0.03 . 1 . . . . . LEU N . 6535 2 27 . 2 2 15 15 ILE H H 1 7.743 0.02 . 1 . . . . . ILE H . 6535 2 28 . 2 2 15 15 ILE N N 15 120.27 0.03 . 1 . . . . . ILE N . 6535 2 29 . 2 2 16 16 LYS H H 1 9.011 0.02 . 1 . . . . . LYS H . 6535 2 30 . 2 2 16 16 LYS N N 15 120.52 0.03 . 1 . . . . . LYS N . 6535 2 31 . 2 2 17 17 ALA H H 1 7.300 0.02 . 1 . . . . . ALA H . 6535 2 32 . 2 2 17 17 ALA N N 15 117.80 0.03 . 1 . . . . . ALA N . 6535 2 33 . 2 2 18 18 CYS H H 1 7.293 0.02 . 1 . . . . . CYS H . 6535 2 34 . 2 2 18 18 CYS N N 15 120.75 0.03 . 1 . . . . . CYS N . 6535 2 35 . 2 2 20 20 ARG H H 1 7.625 0.02 . 1 . . . . . ARG H . 6535 2 36 . 2 2 20 20 ARG N N 15 122.31 0.03 . 1 . . . . . ARG N . 6535 2 37 . 2 2 22 22 GLU H H 1 9.954 0.02 . 1 . . . . . GLU H . 6535 2 38 . 2 2 22 22 GLU N N 15 115.74 0.03 . 1 . . . . . GLU N . 6535 2 39 . 2 2 23 23 GLY H H 1 7.498 0.02 . 1 . . . . . GLY H . 6535 2 40 . 2 2 23 23 GLY N N 15 108.26 0.03 . 1 . . . . . GLY N . 6535 2 41 . 2 2 25 25 ASN H H 1 8.796 0.02 . 1 . . . . . ASN H . 6535 2 42 . 2 2 25 25 ASN N N 15 122.30 0.03 . 1 . . . . . ASN N . 6535 2 43 . 2 2 28 28 ASP H H 1 7.967 0.02 . 1 . . . . . ASP H . 6535 2 44 . 2 2 28 28 ASP N N 15 119.21 0.03 . 1 . . . . . ASP N . 6535 2 45 . 2 2 29 29 LEU H H 1 7.745 0.02 . 1 . . . . . LEU H . 6535 2 46 . 2 2 29 29 LEU N N 15 120.12 0.03 . 1 . . . . . LEU N . 6535 2 47 . 2 2 30 30 LYS H H 1 7.974 0.02 . 1 . . . . . LYS H . 6535 2 48 . 2 2 30 30 LYS N N 15 117.35 0.03 . 1 . . . . . LYS N . 6535 2 49 . 2 2 31 31 ASN H H 1 7.853 0.02 . 1 . . . . . ASN H . 6535 2 50 . 2 2 31 31 ASN N N 15 115.35 0.03 . 1 . . . . . ASN N . 6535 2 51 . 2 2 32 32 GLN H H 1 7.645 0.02 . 1 . . . . . GLN H . 6535 2 52 . 2 2 32 32 GLN N N 15 116.56 0.03 . 1 . . . . . GLN N . 6535 2 53 . 2 2 33 33 LEU H H 1 7.697 0.02 . 1 . . . . . LEU H . 6535 2 54 . 2 2 33 33 LEU N N 15 123.59 0.03 . 1 . . . . . LEU N . 6535 2 55 . 2 2 34 34 LYS H H 1 7.571 0.02 . 1 . . . . . LYS H . 6535 2 56 . 2 2 34 34 LYS N N 15 118.37 0.03 . 1 . . . . . LYS N . 6535 2 57 . 2 2 35 35 HIS H H 1 8.519 0.02 . 1 . . . . . HIS H . 6535 2 58 . 2 2 35 35 HIS N N 15 114.49 0.03 . 1 . . . . . HIS N . 6535 2 59 . 2 2 36 36 MET H H 1 7.607 0.02 . 1 . . . . . MET H . 6535 2 60 . 2 2 36 36 MET N N 15 122.31 0.03 . 1 . . . . . MET N . 6535 2 61 . 2 2 37 37 SER H H 1 8.519 0.02 . 1 . . . . . SER H . 6535 2 62 . 2 2 37 37 SER N N 15 117.33 0.03 . 1 . . . . . SER N . 6535 2 63 . 2 2 39 39 SER H H 1 8.413 0.02 . 1 . . . . . SER H . 6535 2 64 . 2 2 39 39 SER N N 15 122.51 0.03 . 1 . . . . . SER N . 6535 2 65 . 2 2 40 40 SER H H 1 7.993 0.02 . 1 . . . . . SER H . 6535 2 66 . 2 2 40 40 SER N N 15 119.58 0.03 . 1 . . . . . SER N . 6535 2 67 . 2 2 42 42 LYS H H 1 8.694 0.02 . 1 . . . . . LYS H . 6535 2 68 . 2 2 42 42 LYS N N 15 120.42 0.03 . 1 . . . . . LYS N . 6535 2 69 . 2 2 43 43 GLN H H 1 8.217 0.02 . 1 . . . . . GLN H . 6535 2 70 . 2 2 43 43 GLN N N 15 117.15 0.03 . 1 . . . . . GLN N . 6535 2 71 . 2 2 44 44 ALA H H 1 7.801 0.02 . 1 . . . . . ALA H . 6535 2 72 . 2 2 44 44 ALA N N 15 122.49 0.03 . 1 . . . . . ALA N . 6535 2 73 . 2 2 45 45 VAL H H 1 8.573 0.02 . 1 . . . . . VAL H . 6535 2 74 . 2 2 45 45 VAL N N 15 118.12 0.03 . 1 . . . . . VAL N . 6535 2 75 . 2 2 46 46 ASP H H 1 8.645 0.02 . 1 . . . . . ASP H . 6535 2 76 . 2 2 46 46 ASP N N 15 122.05 0.03 . 1 . . . . . ASP N . 6535 2 77 . 2 2 47 47 PHE H H 1 8.045 0.02 . 1 . . . . . PHE H . 6535 2 78 . 2 2 47 47 PHE N N 15 121.03 0.03 . 1 . . . . . PHE N . 6535 2 79 . 2 2 48 48 LEU H H 1 8.784 0.02 . 1 . . . . . LEU H . 6535 2 80 . 2 2 48 48 LEU N N 15 117.89 0.03 . 1 . . . . . LEU N . 6535 2 81 . 2 2 49 49 SER H H 1 8.605 0.02 . 1 . . . . . SER H . 6535 2 82 . 2 2 49 49 SER N N 15 115.77 0.03 . 1 . . . . . SER N . 6535 2 83 . 2 2 50 50 ASN H H 1 8.490 0.02 . 1 . . . . . ASN H . 6535 2 84 . 2 2 50 50 ASN N N 15 123.36 0.03 . 1 . . . . . ASN N . 6535 2 85 . 2 2 51 51 GLU H H 1 7.954 0.02 . 1 . . . . . GLU H . 6535 2 86 . 2 2 51 51 GLU N N 15 115.02 0.03 . 1 . . . . . GLU N . 6535 2 87 . 2 2 52 52 GLY H H 1 7.544 0.02 . 1 . . . . . GLY H . 6535 2 88 . 2 2 52 52 GLY N N 15 105.22 0.03 . 1 . . . . . GLY N . 6535 2 89 . 2 2 53 53 HIS H H 1 8.399 0.02 . 1 . . . . . HIS H . 6535 2 90 . 2 2 53 53 HIS N N 15 118.48 0.03 . 1 . . . . . HIS N . 6535 2 91 . 2 2 54 54 ILE H H 1 7.377 0.02 . 1 . . . . . ILE H . 6535 2 92 . 2 2 54 54 ILE N N 15 109.08 0.03 . 1 . . . . . ILE N . 6535 2 93 . 2 2 55 55 TYR H H 1 9.100 0.02 . 1 . . . . . TYR H . 6535 2 94 . 2 2 55 55 TYR N N 15 117.26 0.03 . 1 . . . . . TYR N . 6535 2 95 . 2 2 59 59 ASP H H 1 7.832 0.02 . 1 . . . . . ASP H . 6535 2 96 . 2 2 59 59 ASP N N 15 116.98 0.03 . 1 . . . . . ASP N . 6535 2 97 . 2 2 60 60 ASP H H 1 8.092 0.02 . 1 . . . . . ASP H . 6535 2 98 . 2 2 60 60 ASP N N 15 114.25 0.03 . 1 . . . . . ASP N . 6535 2 99 . 2 2 61 61 ASP H H 1 8.490 0.02 . 1 . . . . . ASP H . 6535 2 100 . 2 2 61 61 ASP N N 15 117.13 0.03 . 1 . . . . . ASP N . 6535 2 101 . 2 2 62 62 HIS H H 1 6.882 0.02 . 1 . . . . . HIS H . 6535 2 102 . 2 2 62 62 HIS N N 15 116.11 0.03 . 1 . . . . . HIS N . 6535 2 103 . 2 2 64 64 LYS H H 1 8.515 0.02 . 1 . . . . . LYS H . 6535 2 104 . 2 2 64 64 LYS N N 15 120.16 0.03 . 1 . . . . . LYS N . 6535 2 105 . 2 2 65 65 SER H H 1 8.637 0.02 . 1 . . . . . SER H . 6535 2 106 . 2 2 65 65 SER N N 15 114.66 0.03 . 1 . . . . . SER N . 6535 2 107 . 2 2 66 66 THR H H 1 8.231 0.02 . 1 . . . . . THR H . 6535 2 108 . 2 2 66 66 THR N N 15 119.07 0.03 . 1 . . . . . THR N . 6535 2 109 . 2 2 67 67 ASP H H 1 8.487 0.02 . 1 . . . . . ASP H . 6535 2 110 . 2 2 67 67 ASP N N 15 121.83 0.03 . 1 . . . . . ASP N . 6535 2 111 . 2 2 68 68 ALA H H 1 8.130 0.02 . 1 . . . . . ALA H . 6535 2 112 . 2 2 68 68 ALA N N 15 124.93 0.03 . 1 . . . . . ALA N . 6535 2 113 . 2 2 69 69 GLU H H 1 8.017 0.02 . 1 . . . . . GLU H . 6535 2 114 . 2 2 69 69 GLU N N 15 125.38 0.03 . 1 . . . . . GLU N . 6535 2 stop_ save_