################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WT _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 'Best TROSY' . . . 52620 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52620 1 2 $software_2 . . 52620 1 3 $software_3 . . 52620 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 ASP H H 1 8.463 0.001 . 1 . . . . . 19 ASP H . 52620 1 2 . 1 . 1 6 6 ASP N N 15 118.074 0.003 . 1 . . . . . 19 ASP N . 52620 1 3 . 1 . 1 7 7 ASP H H 1 8.110 0.001 . 1 . . . . . 20 ASP H . 52620 1 4 . 1 . 1 7 7 ASP N N 15 120.471 0.006 . 1 . . . . . 20 ASP N . 52620 1 5 . 1 . 1 8 8 THR H H 1 8.125 0.001 . 1 . . . . . 21 THR H . 52620 1 6 . 1 . 1 8 8 THR N N 15 114.401 0.005 . 1 . . . . . 21 THR N . 52620 1 7 . 1 . 1 9 9 ARG H H 1 8.167 0.001 . 1 . . . . . 22 ARG H . 52620 1 8 . 1 . 1 9 9 ARG N N 15 123.858 0.008 . 1 . . . . . 22 ARG N . 52620 1 9 . 1 . 1 11 11 GLU H H 1 8.433 0.001 . 1 . . . . . 24 GLU H . 52620 1 10 . 1 . 1 11 11 GLU N N 15 124.854 0.007 . 1 . . . . . 24 GLU N . 52620 1 11 . 1 . 1 12 12 VAL H H 1 8.219 0.000 . 1 . . . . . 25 VAL H . 52620 1 12 . 1 . 1 12 12 VAL N N 15 122.205 0.013 . 1 . . . . . 25 VAL N . 52620 1 13 . 1 . 1 13 13 GLN H H 1 8.578 0.001 . 1 . . . . . 26 GLN H . 52620 1 14 . 1 . 1 13 13 GLN N N 15 125.833 0.023 . 1 . . . . . 26 GLN N . 52620 1 15 . 1 . 1 20 20 LEU H H 1 6.703 0.001 . 1 . . . . . 33 LEU H . 52620 1 16 . 1 . 1 20 20 LEU N N 15 118.018 0.010 . 1 . . . . . 33 LEU N . 52620 1 17 . 1 . 1 21 21 ASP H H 1 8.672 0.001 . 1 . . . . . 34 ASP H . 52620 1 18 . 1 . 1 21 21 ASP N N 15 118.647 0.010 . 1 . . . . . 34 ASP N . 52620 1 19 . 1 . 1 22 22 LEU H H 1 7.427 0.010 . 1 . . . . . 35 LEU H . 52620 1 20 . 1 . 1 22 22 LEU N N 15 119.718 0.010 . 1 . . . . . 35 LEU N . 52620 1 21 . 1 . 1 25 25 ALA H H 1 7.789 0.000 . 1 . . . . . 38 ALA H . 52620 1 22 . 1 . 1 25 25 ALA N N 15 116.747 0.000 . 1 . . . . . 38 ALA N . 52620 1 23 . 1 . 1 26 26 SER H H 1 7.156 0.001 . 1 . . . . . 39 SER H . 52620 1 24 . 1 . 1 26 26 SER N N 15 113.495 0.010 . 1 . . . . . 39 SER N . 52620 1 25 . 1 . 1 29 29 ALA H H 1 9.011 0.001 . 1 . . . . . 42 ALA H . 52620 1 26 . 1 . 1 29 29 ALA N N 15 132.783 0.027 . 1 . . . . . 42 ALA N . 52620 1 27 . 1 . 1 31 31 VAL H H 1 9.270 0.001 . 1 . . . . . 44 VAL H . 52620 1 28 . 1 . 1 31 31 VAL N N 15 113.071 0.010 . 1 . . . . . 44 VAL N . 52620 1 29 . 1 . 1 33 33 SER H H 1 10.036 0.003 . 1 . . . . . 46 SER H . 52620 1 30 . 1 . 1 33 33 SER N N 15 125.456 0.010 . 1 . . . . . 46 SER N . 52620 1 31 . 1 . 1 34 34 ASP H H 1 7.334 0.002 . 1 . . . . . 47 ASP H . 52620 1 32 . 1 . 1 34 34 ASP N N 15 117.637 0.005 . 1 . . . . . 47 ASP N . 52620 1 33 . 1 . 1 36 36 ARG H H 1 8.852 0.002 . 1 . . . . . 49 ARG H . 52620 1 34 . 1 . 1 36 36 ARG N N 15 121.250 0.012 . 1 . . . . . 49 ARG N . 52620 1 35 . 1 . 1 37 37 LEU H H 1 7.432 0.010 . 1 . . . . . 50 LEU H . 52620 1 36 . 1 . 1 37 37 LEU N N 15 121.373 0.045 . 1 . . . . . 50 LEU N . 52620 1 37 . 1 . 1 38 38 ALA H H 1 8.280 0.001 . 1 . . . . . 51 ALA H . 52620 1 38 . 1 . 1 38 38 ALA N N 15 124.225 0.048 . 1 . . . . . 51 ALA N . 52620 1 39 . 1 . 1 39 39 ASP H H 1 8.802 0.001 . 1 . . . . . 52 ASP H . 52620 1 40 . 1 . 1 39 39 ASP N N 15 118.894 0.022 . 1 . . . . . 52 ASP N . 52620 1 41 . 1 . 1 40 40 ASN H H 1 8.071 0.002 . 1 . . . . . 53 ASN H . 52620 1 42 . 1 . 1 40 40 ASN N N 15 114.091 0.021 . 1 . . . . . 53 ASN N . 52620 1 43 . 1 . 1 42 42 LEU H H 1 7.828 0.001 . 1 . . . . . 55 LEU H . 52620 1 44 . 1 . 1 42 42 LEU N N 15 115.466 0.012 . 1 . . . . . 55 LEU N . 52620 1 45 . 1 . 1 43 43 ILE H H 1 9.569 0.002 . 1 . . . . . 56 ILE H . 52620 1 46 . 1 . 1 43 43 ILE N N 15 114.621 0.011 . 1 . . . . . 56 ILE N . 52620 1 47 . 1 . 1 44 44 ALA H H 1 7.450 0.016 . 1 . . . . . 57 ALA H . 52620 1 48 . 1 . 1 44 44 ALA N N 15 121.324 0.057 . 1 . . . . . 57 ALA N . 52620 1 49 . 1 . 1 45 45 ILE H H 1 8.435 0.002 . 1 . . . . . 58 ILE H . 52620 1 50 . 1 . 1 45 45 ILE N N 15 112.825 0.013 . 1 . . . . . 58 ILE N . 52620 1 51 . 1 . 1 46 46 ASN H H 1 7.825 0.001 . 1 . . . . . 59 ASN H . 52620 1 52 . 1 . 1 46 46 ASN N N 15 118.374 0.008 . 1 . . . . . 59 ASN N . 52620 1 53 . 1 . 1 47 47 GLN H H 1 8.942 0.001 . 1 . . . . . 60 GLN H . 52620 1 54 . 1 . 1 47 47 GLN N N 15 120.381 0.005 . 1 . . . . . 60 GLN N . 52620 1 55 . 1 . 1 49 49 PHE H H 1 8.391 0.016 . 1 . . . . . 62 PHE H . 52620 1 56 . 1 . 1 49 49 PHE N N 15 122.369 0.166 . 1 . . . . . 62 PHE N . 52620 1 57 . 1 . 1 50 50 THR H H 1 7.781 0.001 . 1 . . . . . 63 THR H . 52620 1 58 . 1 . 1 50 50 THR N N 15 124.020 0.015 . 1 . . . . . 63 THR N . 52620 1 59 . 1 . 1 52 52 LEU H H 1 7.737 0.002 . 1 . . . . . 65 LEU H . 52620 1 60 . 1 . 1 52 52 LEU N N 15 117.955 0.014 . 1 . . . . . 65 LEU N . 52620 1 61 . 1 . 1 53 53 THR H H 1 7.723 0.001 . 1 . . . . . 66 THR H . 52620 1 62 . 1 . 1 53 53 THR N N 15 102.424 0.012 . 1 . . . . . 66 THR N . 52620 1 63 . 1 . 1 54 54 GLY H H 1 8.499 0.002 . 1 . . . . . 67 GLY H . 52620 1 64 . 1 . 1 54 54 GLY N N 15 111.025 0.013 . 1 . . . . . 67 GLY N . 52620 1 65 . 1 . 1 56 56 SER H H 1 9.317 0.002 . 1 . . . . . 69 SER H . 52620 1 66 . 1 . 1 56 56 SER N N 15 119.223 0.010 . 1 . . . . . 69 SER N . 52620 1 67 . 1 . 1 57 57 GLU H H 1 9.279 0.002 . 1 . . . . . 70 GLU H . 52620 1 68 . 1 . 1 57 57 GLU N N 15 123.494 0.005 . 1 . . . . . 70 GLU N . 52620 1 69 . 1 . 1 58 58 GLU H H 1 9.058 0.001 . 1 . . . . . 71 GLU H . 52620 1 70 . 1 . 1 58 58 GLU N N 15 117.468 0.005 . 1 . . . . . 71 GLU N . 52620 1 71 . 1 . 1 59 59 GLU H H 1 7.464 0.001 . 1 . . . . . 72 GLU H . 52620 1 72 . 1 . 1 59 59 GLU N N 15 116.504 0.017 . 1 . . . . . 72 GLU N . 52620 1 73 . 1 . 1 60 60 CYS H H 1 7.459 0.001 . 1 . . . . . 73 CYS H . 52620 1 74 . 1 . 1 60 60 CYS N N 15 114.259 0.010 . 1 . . . . . 73 CYS N . 52620 1 75 . 1 . 1 62 62 GLY H H 1 9.458 0.002 . 1 . . . . . 75 GLY H . 52620 1 76 . 1 . 1 62 62 GLY N N 15 112.946 0.010 . 1 . . . . . 75 GLY N . 52620 1 77 . 1 . 1 64 64 ASN H H 1 8.881 0.001 . 1 . . . . . 77 ASN H . 52620 1 78 . 1 . 1 64 64 ASN N N 15 121.769 0.013 . 1 . . . . . 77 ASN N . 52620 1 79 . 1 . 1 66 66 ARG H H 1 8.580 0.002 . 1 . . . . . 79 ARG H . 52620 1 80 . 1 . 1 66 66 ARG N N 15 120.047 0.011 . 1 . . . . . 79 ARG N . 52620 1 81 . 1 . 1 69 69 ALA H H 1 7.780 0.001 . 1 . . . . . 82 ALA H . 52620 1 82 . 1 . 1 69 69 ALA N N 15 120.891 0.008 . 1 . . . . . 82 ALA N . 52620 1 83 . 1 . 1 70 70 GLY H H 1 8.759 0.001 . 1 . . . . . 83 GLY H . 52620 1 84 . 1 . 1 70 70 GLY N N 15 105.994 0.009 . 1 . . . . . 83 GLY N . 52620 1 85 . 1 . 1 72 72 GLY H H 1 8.605 0.001 . 1 . . . . . 85 GLY H . 52620 1 86 . 1 . 1 72 72 GLY N N 15 108.852 0.006 . 1 . . . . . 85 GLY N . 52620 1 87 . 1 . 1 73 73 THR H H 1 7.852 0.002 . 1 . . . . . 86 THR H . 52620 1 88 . 1 . 1 73 73 THR N N 15 119.442 0.018 . 1 . . . . . 86 THR N . 52620 1 89 . 1 . 1 76 76 TRP H H 1 7.123 0.023 . 1 . . . . . 89 TRP H . 52620 1 90 . 1 . 1 76 76 TRP N N 15 113.327 0.121 . 1 . . . . . 89 TRP N . 52620 1 91 . 1 . 1 77 77 LEU H H 1 6.519 0.001 . 1 . . . . . 90 LEU H . 52620 1 92 . 1 . 1 77 77 LEU N N 15 121.544 0.010 . 1 . . . . . 90 LEU N . 52620 1 93 . 1 . 1 80 80 LYS H H 1 7.116 0.001 . 1 . . . . . 93 LYS H . 52620 1 94 . 1 . 1 80 80 LYS N N 15 118.254 0.011 . 1 . . . . . 93 LYS N . 52620 1 95 . 1 . 1 81 81 ILE H H 1 7.424 0.009 . 1 . . . . . 94 ILE H . 52620 1 96 . 1 . 1 81 81 ILE N N 15 119.718 0.009 . 1 . . . . . 94 ILE N . 52620 1 97 . 1 . 1 83 83 GLN H H 1 8.395 0.002 . 1 . . . . . 96 GLN H . 52620 1 98 . 1 . 1 83 83 GLN N N 15 118.090 0.013 . 1 . . . . . 96 GLN N . 52620 1 99 . 1 . 1 84 84 GLY H H 1 7.951 0.003 . 1 . . . . . 97 GLY H . 52620 1 100 . 1 . 1 84 84 GLY N N 15 108.959 0.012 . 1 . . . . . 97 GLY N . 52620 1 101 . 1 . 1 86 86 ARG H H 1 7.962 0.001 . 1 . . . . . 99 ARG H . 52620 1 102 . 1 . 1 86 86 ARG N N 15 119.978 0.005 . 1 . . . . . 99 ARG N . 52620 1 103 . 1 . 1 87 87 GLU H H 1 8.393 0.001 . 1 . . . . . 100 GLU H . 52620 1 104 . 1 . 1 87 87 GLU N N 15 114.448 0.012 . 1 . . . . . 100 GLU N . 52620 1 105 . 1 . 1 88 88 HIS H H 1 8.125 0.002 . 1 . . . . . 101 HIS H . 52620 1 106 . 1 . 1 88 88 HIS N N 15 115.536 0.027 . 1 . . . . . 101 HIS N . 52620 1 107 . 1 . 1 89 89 LYS H H 1 9.081 0.002 . 1 . . . . . 102 LYS H . 52620 1 108 . 1 . 1 89 89 LYS N N 15 120.063 0.013 . 1 . . . . . 102 LYS N . 52620 1 109 . 1 . 1 91 91 VAL H H 1 8.785 0.001 . 1 . . . . . 104 VAL H . 52620 1 110 . 1 . 1 91 91 VAL N N 15 120.462 0.006 . 1 . . . . . 104 VAL N . 52620 1 111 . 1 . 1 92 92 LEU H H 1 8.165 0.002 . 1 . . . . . 105 LEU H . 52620 1 112 . 1 . 1 92 92 LEU N N 15 128.407 0.020 . 1 . . . . . 105 LEU N . 52620 1 113 . 1 . 1 93 93 VAL H H 1 8.681 0.002 . 1 . . . . . 106 VAL H . 52620 1 114 . 1 . 1 93 93 VAL N N 15 119.700 0.016 . 1 . . . . . 106 VAL N . 52620 1 115 . 1 . 1 94 94 GLU H H 1 8.280 0.002 . 1 . . . . . 107 GLU H . 52620 1 116 . 1 . 1 94 94 GLU N N 15 121.016 0.011 . 1 . . . . . 107 GLU N . 52620 1 117 . 1 . 1 96 96 LEU H H 1 9.648 0.001 . 1 . . . . . 109 LEU H . 52620 1 118 . 1 . 1 96 96 LEU N N 15 129.445 0.030 . 1 . . . . . 109 LEU N . 52620 1 119 . 1 . 1 97 97 ASN H H 1 8.997 0.002 . 1 . . . . . 110 ASN H . 52620 1 120 . 1 . 1 97 97 ASN N N 15 133.271 0.024 . 1 . . . . . 110 ASN N . 52620 1 121 . 1 . 1 98 98 TYR H H 1 8.756 0.001 . 1 . . . . . 111 TYR H . 52620 1 122 . 1 . 1 98 98 TYR N N 15 115.246 0.010 . 1 . . . . . 111 TYR N . 52620 1 123 . 1 . 1 99 99 LYS H H 1 8.994 0.002 . 1 . . . . . 112 LYS H . 52620 1 124 . 1 . 1 99 99 LYS N N 15 122.554 0.017 . 1 . . . . . 112 LYS N . 52620 1 125 . 1 . 1 100 100 LYS H H 1 8.635 0.002 . 1 . . . . . 113 LYS H . 52620 1 126 . 1 . 1 100 100 LYS N N 15 123.451 0.008 . 1 . . . . . 113 LYS N . 52620 1 127 . 1 . 1 101 101 ASP H H 1 7.921 0.001 . 1 . . . . . 114 ASP H . 52620 1 128 . 1 . 1 101 101 ASP N N 15 114.488 0.011 . 1 . . . . . 114 ASP N . 52620 1 129 . 1 . 1 102 102 GLY H H 1 8.386 0.002 . 1 . . . . . 115 GLY H . 52620 1 130 . 1 . 1 102 102 GLY N N 15 109.126 0.013 . 1 . . . . . 115 GLY N . 52620 1 131 . 1 . 1 105 105 PHE H H 1 9.304 0.001 . 1 . . . . . 118 PHE H . 52620 1 132 . 1 . 1 105 105 PHE N N 15 120.056 0.017 . 1 . . . . . 118 PHE N . 52620 1 133 . 1 . 1 106 106 ARG H H 1 9.154 0.001 . 1 . . . . . 119 ARG H . 52620 1 134 . 1 . 1 106 106 ARG N N 15 124.734 0.004 . 1 . . . . . 119 ARG N . 52620 1 135 . 1 . 1 107 107 ASN H H 1 9.011 0.001 . 1 . . . . . 120 ASN H . 52620 1 136 . 1 . 1 107 107 ASN N N 15 128.383 0.025 . 1 . . . . . 120 ASN N . 52620 1 137 . 1 . 1 108 108 ALA H H 1 9.460 0.001 . 1 . . . . . 121 ALA H . 52620 1 138 . 1 . 1 108 108 ALA N N 15 128.905 0.015 . 1 . . . . . 121 ALA N . 52620 1 139 . 1 . 1 109 109 VAL H H 1 9.046 0.001 . 1 . . . . . 122 VAL H . 52620 1 140 . 1 . 1 109 109 VAL N N 15 131.386 0.014 . 1 . . . . . 122 VAL N . 52620 1 141 . 1 . 1 110 110 LEU H H 1 8.691 0.001 . 1 . . . . . 123 LEU H . 52620 1 142 . 1 . 1 110 110 LEU N N 15 128.458 0.022 . 1 . . . . . 123 LEU N . 52620 1 143 . 1 . 1 111 111 VAL H H 1 8.726 0.001 . 1 . . . . . 124 VAL H . 52620 1 144 . 1 . 1 111 111 VAL N N 15 124.870 0.007 . 1 . . . . . 124 VAL N . 52620 1 145 . 1 . 1 112 112 ALA H H 1 9.654 0.001 . 1 . . . . . 125 ALA H . 52620 1 146 . 1 . 1 112 112 ALA N N 15 128.909 0.012 . 1 . . . . . 125 ALA N . 52620 1 147 . 1 . 1 124 124 PHE H H 1 7.792 0.004 . 1 . . . . . 137 PHE H . 52620 1 148 . 1 . 1 124 124 PHE N N 15 112.887 0.172 . 1 . . . . . 137 PHE N . 52620 1 149 . 1 . 1 125 125 LEU H H 1 9.440 0.002 . 1 . . . . . 138 LEU H . 52620 1 150 . 1 . 1 125 125 LEU N N 15 124.619 0.005 . 1 . . . . . 138 LEU N . 52620 1 151 . 1 . 1 126 126 GLY H H 1 9.357 0.002 . 1 . . . . . 139 GLY H . 52620 1 152 . 1 . 1 126 126 GLY N N 15 113.405 0.017 . 1 . . . . . 139 GLY N . 52620 1 153 . 1 . 1 127 127 SER H H 1 9.143 0.001 . 1 . . . . . 140 SER H . 52620 1 154 . 1 . 1 127 127 SER N N 15 115.724 0.014 . 1 . . . . . 140 SER N . 52620 1 155 . 1 . 1 128 128 GLN H H 1 8.702 0.001 . 1 . . . . . 141 GLN H . 52620 1 156 . 1 . 1 128 128 GLN N N 15 122.510 0.027 . 1 . . . . . 141 GLN N . 52620 1 157 . 1 . 1 129 129 VAL H H 1 7.643 0.001 . 1 . . . . . 142 VAL H . 52620 1 158 . 1 . 1 129 129 VAL N N 15 121.593 0.015 . 1 . . . . . 142 VAL N . 52620 1 159 . 1 . 1 130 130 GLU H H 1 8.723 0.001 . 1 . . . . . 143 GLU H . 52620 1 160 . 1 . 1 130 130 GLU N N 15 127.713 0.013 . 1 . . . . . 143 GLU N . 52620 1 161 . 1 . 1 131 131 VAL H H 1 8.799 0.001 . 1 . . . . . 144 VAL H . 52620 1 162 . 1 . 1 131 131 VAL N N 15 126.199 0.008 . 1 . . . . . 144 VAL N . 52620 1 163 . 1 . 1 132 132 ASP H H 1 8.093 0.001 . 1 . . . . . 145 ASP H . 52620 1 164 . 1 . 1 132 132 ASP N N 15 125.525 0.010 . 1 . . . . . 145 ASP N . 52620 1 165 . 1 . 1 133 133 ASP H H 1 8.765 0.003 . 1 . . . . . 146 ASP H . 52620 1 166 . 1 . 1 133 133 ASP N N 15 123.590 0.014 . 1 . . . . . 146 ASP N . 52620 1 167 . 1 . 1 134 134 ASP H H 1 8.506 0.002 . 1 . . . . . 147 ASP H . 52620 1 168 . 1 . 1 134 134 ASP N N 15 117.590 0.017 . 1 . . . . . 147 ASP N . 52620 1 169 . 1 . 1 135 135 GLN H H 1 7.694 0.001 . 1 . . . . . 148 GLN H . 52620 1 170 . 1 . 1 135 135 GLN N N 15 118.655 0.006 . 1 . . . . . 148 GLN N . 52620 1 171 . 1 . 1 137 137 ASN H H 1 8.640 0.001 . 1 . . . . . 150 ASN H . 52620 1 172 . 1 . 1 137 137 ASN N N 15 116.182 0.012 . 1 . . . . . 150 ASN N . 52620 1 173 . 1 . 1 138 138 MET H H 1 8.220 0.001 . 1 . . . . . 151 MET H . 52620 1 174 . 1 . 1 138 138 MET N N 15 120.699 0.067 . 1 . . . . . 151 MET N . 52620 1 175 . 1 . 1 139 139 GLY H H 1 8.999 0.001 . 1 . . . . . 152 GLY H . 52620 1 176 . 1 . 1 139 139 GLY N N 15 109.328 0.010 . 1 . . . . . 152 GLY N . 52620 1 177 . 1 . 1 140 140 MET H H 1 7.981 0.001 . 1 . . . . . 153 MET H . 52620 1 178 . 1 . 1 140 140 MET N N 15 121.776 0.013 . 1 . . . . . 153 MET N . 52620 1 179 . 1 . 1 141 141 ALA H H 1 8.122 0.023 . 1 . . . . . 154 ALA H . 52620 1 180 . 1 . 1 141 141 ALA N N 15 123.250 0.044 . 1 . . . . . 154 ALA N . 52620 1 181 . 1 . 1 146 146 ALA H H 1 7.853 0.001 . 1 . . . . . 159 ALA H . 52620 1 182 . 1 . 1 146 146 ALA N N 15 122.337 0.021 . 1 . . . . . 159 ALA N . 52620 1 183 . 1 . 1 147 147 ALA H H 1 8.232 0.001 . 1 . . . . . 160 ALA H . 52620 1 184 . 1 . 1 147 147 ALA N N 15 118.646 0.016 . 1 . . . . . 160 ALA N . 52620 1 185 . 1 . 1 148 148 GLU H H 1 8.103 0.022 . 1 . . . . . 161 GLU H . 52620 1 186 . 1 . 1 148 148 GLU N N 15 117.871 0.043 . 1 . . . . . 161 GLU N . 52620 1 187 . 1 . 1 149 149 MET H H 1 7.999 0.012 . 1 . . . . . 162 MET H . 52620 1 188 . 1 . 1 149 149 MET N N 15 118.618 0.030 . 1 . . . . . 162 MET N . 52620 1 189 . 1 . 1 150 150 LEU H H 1 7.807 0.001 . 1 . . . . . 163 LEU H . 52620 1 190 . 1 . 1 150 150 LEU N N 15 117.271 0.031 . 1 . . . . . 163 LEU N . 52620 1 191 . 1 . 1 151 151 LYS H H 1 7.504 0.003 . 1 . . . . . 164 LYS H . 52620 1 192 . 1 . 1 151 151 LYS N N 15 117.760 0.021 . 1 . . . . . 164 LYS N . 52620 1 193 . 1 . 1 152 152 THR H H 1 7.366 0.001 . 1 . . . . . 165 THR H . 52620 1 194 . 1 . 1 152 152 THR N N 15 106.968 0.009 . 1 . . . . . 165 THR N . 52620 1 195 . 1 . 1 153 153 LEU H H 1 7.330 0.011 . 1 . . . . . 166 LEU H . 52620 1 196 . 1 . 1 153 153 LEU N N 15 120.969 0.046 . 1 . . . . . 166 LEU N . 52620 1 197 . 1 . 1 154 154 SER H H 1 8.427 0.002 . 1 . . . . . 167 SER H . 52620 1 198 . 1 . 1 154 154 SER N N 15 118.613 0.003 . 1 . . . . . 167 SER N . 52620 1 199 . 1 . 1 156 156 ARG H H 1 8.348 0.002 . 1 . . . . . 169 ARG H . 52620 1 200 . 1 . 1 156 156 ARG N N 15 117.296 0.018 . 1 . . . . . 169 ARG N . 52620 1 201 . 1 . 1 157 157 GLN H H 1 7.508 0.012 . 1 . . . . . 170 GLN H . 52620 1 202 . 1 . 1 157 157 GLN N N 15 117.777 0.048 . 1 . . . . . 170 GLN N . 52620 1 203 . 1 . 1 158 158 LEU H H 1 8.935 0.001 . 1 . . . . . 171 LEU H . 52620 1 204 . 1 . 1 158 158 LEU N N 15 124.058 0.006 . 1 . . . . . 171 LEU N . 52620 1 205 . 1 . 1 159 159 GLU H H 1 8.235 0.001 . 1 . . . . . 172 GLU H . 52620 1 206 . 1 . 1 159 159 GLU N N 15 123.127 0.012 . 1 . . . . . 172 GLU N . 52620 1 207 . 1 . 1 160 160 VAL H H 1 7.943 0.023 . 1 . . . . . 173 VAL H . 52620 1 208 . 1 . 1 160 160 VAL N N 15 117.336 0.185 . 1 . . . . . 173 VAL N . 52620 1 209 . 1 . 1 161 161 THR H H 1 7.995 0.002 . 1 . . . . . 174 THR H . 52620 1 210 . 1 . 1 161 161 THR N N 15 115.933 0.010 . 1 . . . . . 174 THR N . 52620 1 211 . 1 . 1 162 162 THR H H 1 8.369 0.002 . 1 . . . . . 175 THR H . 52620 1 212 . 1 . 1 162 162 THR N N 15 116.332 0.017 . 1 . . . . . 175 THR N . 52620 1 213 . 1 . 1 163 163 LEU H H 1 7.605 0.001 . 1 . . . . . 176 LEU H . 52620 1 214 . 1 . 1 163 163 LEU N N 15 120.482 0.009 . 1 . . . . . 176 LEU N . 52620 1 215 . 1 . 1 164 164 VAL H H 1 8.669 0.001 . 1 . . . . . 177 VAL H . 52620 1 216 . 1 . 1 164 164 VAL N N 15 120.528 0.019 . 1 . . . . . 177 VAL N . 52620 1 217 . 1 . 1 165 165 ALA H H 1 8.440 0.001 . 1 . . . . . 178 ALA H . 52620 1 218 . 1 . 1 165 165 ALA N N 15 121.804 0.024 . 1 . . . . . 178 ALA N . 52620 1 219 . 1 . 1 166 166 SER H H 1 7.376 0.001 . 1 . . . . . 179 SER H . 52620 1 220 . 1 . 1 166 166 SER N N 15 108.920 0.013 . 1 . . . . . 179 SER N . 52620 1 221 . 1 . 1 167 167 GLY H H 1 8.097 0.002 . 1 . . . . . 180 GLY H . 52620 1 222 . 1 . 1 167 167 GLY N N 15 108.309 0.008 . 1 . . . . . 180 GLY N . 52620 1 223 . 1 . 1 168 168 LEU H H 1 6.956 0.002 . 1 . . . . . 181 LEU H . 52620 1 224 . 1 . 1 168 168 LEU N N 15 119.095 0.006 . 1 . . . . . 181 LEU N . 52620 1 225 . 1 . 1 169 169 ARG H H 1 8.514 0.001 . 1 . . . . . 182 ARG H . 52620 1 226 . 1 . 1 169 169 ARG N N 15 119.556 0.009 . 1 . . . . . 182 ARG N . 52620 1 227 . 1 . 1 172 172 GLU H H 1 7.003 0.003 . 1 . . . . . 185 GLU H . 52620 1 228 . 1 . 1 172 172 GLU N N 15 120.874 0.061 . 1 . . . . . 185 GLU N . 52620 1 229 . 1 . 1 173 173 VAL H H 1 8.224 0.014 . 1 . . . . . 186 VAL H . 52620 1 230 . 1 . 1 173 173 VAL N N 15 122.199 0.010 . 1 . . . . . 186 VAL N . 52620 1 231 . 1 . 1 175 175 ALA H H 1 7.446 0.001 . 1 . . . . . 188 ALA H . 52620 1 232 . 1 . 1 175 175 ALA N N 15 118.798 0.010 . 1 . . . . . 188 ALA N . 52620 1 233 . 1 . 1 176 176 ARG H H 1 8.047 0.002 . 1 . . . . . 189 ARG H . 52620 1 234 . 1 . 1 176 176 ARG N N 15 117.310 0.027 . 1 . . . . . 189 ARG N . 52620 1 235 . 1 . 1 177 177 LEU H H 1 7.662 0.001 . 1 . . . . . 190 LEU H . 52620 1 236 . 1 . 1 177 177 LEU N N 15 114.572 0.006 . 1 . . . . . 190 LEU N . 52620 1 237 . 1 . 1 178 178 GLY H H 1 7.903 0.002 . 1 . . . . . 191 GLY H . 52620 1 238 . 1 . 1 178 178 GLY N N 15 110.069 0.017 . 1 . . . . . 191 GLY N . 52620 1 239 . 1 . 1 179 179 LEU H H 1 7.995 0.002 . 1 . . . . . 192 LEU H . 52620 1 240 . 1 . 1 179 179 LEU N N 15 118.608 0.028 . 1 . . . . . 192 LEU N . 52620 1 241 . 1 . 1 180 180 SER H H 1 8.349 0.015 . 1 . . . . . 193 SER H . 52620 1 242 . 1 . 1 180 180 SER N N 15 114.127 0.120 . 1 . . . . . 193 SER N . 52620 1 243 . 1 . 1 182 182 LYS H H 1 8.345 0.002 . 1 . . . . . 195 LYS H . 52620 1 244 . 1 . 1 182 182 LYS N N 15 118.494 0.042 . 1 . . . . . 195 LYS N . 52620 1 245 . 1 . 1 183 183 THR H H 1 7.994 0.003 . 1 . . . . . 196 THR H . 52620 1 246 . 1 . 1 183 183 THR N N 15 118.651 0.113 . 1 . . . . . 196 THR N . 52620 1 247 . 1 . 1 184 184 VAL H H 1 8.041 0.001 . 1 . . . . . 197 VAL H . 52620 1 248 . 1 . 1 184 184 VAL N N 15 122.186 0.009 . 1 . . . . . 197 VAL N . 52620 1 249 . 1 . 1 186 186 MET H H 1 8.005 0.003 . 1 . . . . . 199 MET H . 52620 1 250 . 1 . 1 186 186 MET N N 15 121.317 0.018 . 1 . . . . . 199 MET N . 52620 1 251 . 1 . 1 187 187 HIS H H 1 8.341 0.001 . 1 . . . . . 200 HIS H . 52620 1 252 . 1 . 1 187 187 HIS N N 15 119.088 0.023 . 1 . . . . . 200 HIS N . 52620 1 253 . 1 . 1 188 188 ARG H H 1 8.619 0.002 . 1 . . . . . 201 ARG H . 52620 1 254 . 1 . 1 188 188 ARG N N 15 118.387 0.013 . 1 . . . . . 201 ARG N . 52620 1 255 . 1 . 1 189 189 GLY H H 1 8.109 0.001 . 1 . . . . . 202 GLY H . 52620 1 256 . 1 . 1 189 189 GLY N N 15 105.432 0.022 . 1 . . . . . 202 GLY N . 52620 1 257 . 1 . 1 190 190 LEU H H 1 8.091 0.002 . 1 . . . . . 203 LEU H . 52620 1 258 . 1 . 1 190 190 LEU N N 15 123.176 0.017 . 1 . . . . . 203 LEU N . 52620 1 259 . 1 . 1 191 191 VAL H H 1 8.340 0.003 . 1 . . . . . 204 VAL H . 52620 1 260 . 1 . 1 191 191 VAL N N 15 121.427 0.014 . 1 . . . . . 204 VAL N . 52620 1 261 . 1 . 1 192 192 MET H H 1 7.851 0.001 . 1 . . . . . 205 MET H . 52620 1 262 . 1 . 1 192 192 MET N N 15 116.431 0.009 . 1 . . . . . 205 MET N . 52620 1 263 . 1 . 1 193 193 GLU H H 1 7.911 0.001 . 1 . . . . . 206 GLU H . 52620 1 264 . 1 . 1 193 193 GLU N N 15 117.589 0.010 . 1 . . . . . 206 GLU N . 52620 1 265 . 1 . 1 194 194 LYS H H 1 8.403 0.003 . 1 . . . . . 207 LYS H . 52620 1 266 . 1 . 1 194 194 LYS N N 15 121.059 0.013 . 1 . . . . . 207 LYS N . 52620 1 267 . 1 . 1 195 195 LEU H H 1 7.853 0.002 . 1 . . . . . 208 LEU H . 52620 1 268 . 1 . 1 195 195 LEU N N 15 114.927 0.095 . 1 . . . . . 208 LEU N . 52620 1 269 . 1 . 1 197 197 LEU H H 1 8.423 0.001 . 1 . . . . . 210 LEU H . 52620 1 270 . 1 . 1 197 197 LEU N N 15 116.766 0.007 . 1 . . . . . 210 LEU N . 52620 1 271 . 1 . 1 198 198 LYS H H 1 9.115 0.001 . 1 . . . . . 211 LYS H . 52620 1 272 . 1 . 1 198 198 LYS N N 15 119.282 0.016 . 1 . . . . . 211 LYS N . 52620 1 273 . 1 . 1 199 199 THR H H 1 7.693 0.002 . 1 . . . . . 212 THR H . 52620 1 274 . 1 . 1 199 199 THR N N 15 108.151 0.016 . 1 . . . . . 212 THR N . 52620 1 275 . 1 . 1 200 200 SER H H 1 9.428 0.000 . 1 . . . . . 213 SER H . 52620 1 276 . 1 . 1 200 200 SER N N 15 120.699 0.006 . 1 . . . . . 213 SER N . 52620 1 277 . 1 . 1 201 201 ALA H H 1 7.858 0.002 . 1 . . . . . 214 ALA H . 52620 1 278 . 1 . 1 201 201 ALA N N 15 124.409 0.009 . 1 . . . . . 214 ALA N . 52620 1 279 . 1 . 1 202 202 ASP H H 1 7.392 0.001 . 1 . . . . . 215 ASP H . 52620 1 280 . 1 . 1 202 202 ASP N N 15 117.963 0.014 . 1 . . . . . 215 ASP N . 52620 1 281 . 1 . 1 203 203 LEU H H 1 7.004 0.001 . 1 . . . . . 216 LEU H . 52620 1 282 . 1 . 1 203 203 LEU N N 15 120.896 0.030 . 1 . . . . . 216 LEU N . 52620 1 283 . 1 . 1 205 205 ARG H H 1 7.295 0.002 . 1 . . . . . 218 ARG H . 52620 1 284 . 1 . 1 205 205 ARG N N 15 115.408 0.007 . 1 . . . . . 218 ARG N . 52620 1 285 . 1 . 1 206 206 ILE H H 1 7.589 0.002 . 1 . . . . . 219 ILE H . 52620 1 286 . 1 . 1 206 206 ILE N N 15 117.376 0.019 . 1 . . . . . 219 ILE N . 52620 1 287 . 1 . 1 207 207 ALA H H 1 7.866 0.001 . 1 . . . . . 220 ALA H . 52620 1 288 . 1 . 1 207 207 ALA N N 15 121.454 0.009 . 1 . . . . . 220 ALA N . 52620 1 289 . 1 . 1 208 208 VAL H H 1 8.072 0.002 . 1 . . . . . 221 VAL H . 52620 1 290 . 1 . 1 208 208 VAL N N 15 117.814 0.033 . 1 . . . . . 221 VAL N . 52620 1 291 . 1 . 1 209 209 GLU H H 1 9.118 0.002 . 1 . . . . . 222 GLU H . 52620 1 292 . 1 . 1 209 209 GLU N N 15 122.510 0.014 . 1 . . . . . 222 GLU N . 52620 1 293 . 1 . 1 210 210 ALA H H 1 8.129 0.002 . 1 . . . . . 223 ALA H . 52620 1 294 . 1 . 1 210 210 ALA N N 15 116.820 0.030 . 1 . . . . . 223 ALA N . 52620 1 295 . 1 . 1 211 211 GLY H H 1 7.775 0.002 . 1 . . . . . 224 GLY H . 52620 1 296 . 1 . 1 211 211 GLY N N 15 104.387 0.020 . 1 . . . . . 224 GLY N . 52620 1 297 . 1 . 1 212 212 ILE H H 1 7.585 0.022 . 1 . . . . . 225 ILE H . 52620 1 298 . 1 . 1 212 212 ILE N N 15 113.015 0.076 . 1 . . . . . 225 ILE N . 52620 1 stop_ save_