################################### # 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_AdK_Ap5A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode AdK_Ap5A _Assigned_chem_shift_list.Entry_ID 27004 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27004 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 2 $NMRPipe . . 27004 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.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 2 2 ARG H H 1 9.614 0.01 . 1 . . . . . 2 ARG H . 27004 1 2 . 1 1 2 2 ARG N N 15 125.335 0.02 . 1 . . . . . 2 ARG N . 27004 1 3 . 1 1 3 3 ILE H H 1 8.067 0.01 . 1 . . . . . 3 ILE H . 27004 1 4 . 1 1 3 3 ILE N N 15 123.274 0.02 . 1 . . . . . 3 ILE N . 27004 1 5 . 1 1 6 6 LEU H H 1 9.308 0.01 . 1 . . . . . 6 LEU H . 27004 1 6 . 1 1 6 6 LEU N N 15 126.114 0.02 . 1 . . . . . 6 LEU N . 27004 1 7 . 1 1 7 7 GLY H H 1 8.991 0.01 . 1 . . . . . 7 GLY H . 27004 1 8 . 1 1 7 7 GLY N N 15 109.775 0.02 . 1 . . . . . 7 GLY N . 27004 1 9 . 1 1 8 8 ALA H H 1 8.786 0.01 . 1 . . . . . 8 ALA H . 27004 1 10 . 1 1 8 8 ALA N N 15 126.232 0.02 . 1 . . . . . 8 ALA N . 27004 1 11 . 1 1 11 11 ALA H H 1 7.893 0.01 . 1 . . . . . 11 ALA H . 27004 1 12 . 1 1 11 11 ALA N N 15 120.1 0.02 . 1 . . . . . 11 ALA N . 27004 1 13 . 1 1 12 12 GLY H H 1 7.961 0.01 . 1 . . . . . 12 GLY H . 27004 1 14 . 1 1 12 12 GLY N N 15 105.103 0.02 . 1 . . . . . 12 GLY N . 27004 1 15 . 1 1 16 16 GLN H H 1 7.544 0.01 . 1 . . . . . 16 GLN H . 27004 1 16 . 1 1 16 16 GLN N N 15 117.11 0.02 . 1 . . . . . 16 GLN N . 27004 1 17 . 1 1 17 17 ALA H H 1 9.057 0.01 . 1 . . . . . 17 ALA H . 27004 1 18 . 1 1 17 17 ALA N N 15 123.75 0.02 . 1 . . . . . 17 ALA N . 27004 1 19 . 1 1 18 18 GLN H H 1 7.124 0.01 . 1 . . . . . 18 GLN H . 27004 1 20 . 1 1 18 18 GLN N N 15 113.938 0.02 . 1 . . . . . 18 GLN N . 27004 1 21 . 1 1 19 19 PHE H H 1 6.684 0.01 . 1 . . . . . 19 PHE H . 27004 1 22 . 1 1 19 19 PHE N N 15 117.739 0.02 . 1 . . . . . 19 PHE N . 27004 1 23 . 1 1 20 20 ILE H H 1 7.797 0.01 . 1 . . . . . 20 ILE H . 27004 1 24 . 1 1 20 20 ILE N N 15 121.549 0.02 . 1 . . . . . 20 ILE N . 27004 1 25 . 1 1 22 22 GLU H H 1 7.373 0.01 . 1 . . . . . 22 GLU H . 27004 1 26 . 1 1 22 22 GLU N N 15 118.304 0.02 . 1 . . . . . 22 GLU N . 27004 1 27 . 1 1 23 23 LYS H H 1 7.941 0.01 . 1 . . . . . 23 LYS H . 27004 1 28 . 1 1 23 23 LYS N N 15 118.927 0.02 . 1 . . . . . 23 LYS N . 27004 1 29 . 1 1 24 24 TYR H H 1 8.085 0.01 . 1 . . . . . 24 TYR H . 27004 1 30 . 1 1 24 24 TYR N N 15 113.039 0.02 . 1 . . . . . 24 TYR N . 27004 1 31 . 1 1 25 25 GLY H H 1 7.668 0.01 . 1 . . . . . 25 GLY H . 27004 1 32 . 1 1 25 25 GLY N N 15 109.55 0.02 . 1 . . . . . 25 GLY N . 27004 1 33 . 1 1 26 26 ILE H H 1 6.789 0.01 . 1 . . . . . 26 ILE H . 27004 1 34 . 1 1 26 26 ILE N N 15 112.28 0.02 . 1 . . . . . 26 ILE N . 27004 1 35 . 1 1 28 28 GLN H H 1 7.924 0.01 . 1 . . . . . 28 GLN H . 27004 1 36 . 1 1 28 28 GLN N N 15 121.189 0.02 . 1 . . . . . 28 GLN N . 27004 1 37 . 1 1 29 29 ILE H H 1 9.601 0.01 . 1 . . . . . 29 ILE H . 27004 1 38 . 1 1 29 29 ILE N N 15 131.798 0.02 . 1 . . . . . 29 ILE N . 27004 1 39 . 1 1 30 30 SER H H 1 8.684 0.01 . 1 . . . . . 30 SER H . 27004 1 40 . 1 1 30 30 SER N N 15 121.442 0.02 . 1 . . . . . 30 SER N . 27004 1 41 . 1 1 31 31 THR H H 1 7.793 0.01 . 1 . . . . . 31 THR H . 27004 1 42 . 1 1 31 31 THR N N 15 118.366 0.02 . 1 . . . . . 31 THR N . 27004 1 43 . 1 1 32 32 GLY H H 1 9.899 0.01 . 1 . . . . . 32 GLY H . 27004 1 44 . 1 1 32 32 GLY N N 15 111.562 0.02 . 1 . . . . . 32 GLY N . 27004 1 45 . 1 1 33 33 ASP H H 1 7.971 0.01 . 1 . . . . . 33 ASP H . 27004 1 46 . 1 1 33 33 ASP N N 15 122.311 0.02 . 1 . . . . . 33 ASP N . 27004 1 47 . 1 1 35 35 LEU H H 1 8.59 0.01 . 1 . . . . . 35 LEU H . 27004 1 48 . 1 1 35 35 LEU N N 15 122.052 0.02 . 1 . . . . . 35 LEU N . 27004 1 49 . 1 1 36 36 ARG H H 1 8.523 0.01 . 1 . . . . . 36 ARG H . 27004 1 50 . 1 1 36 36 ARG N N 15 119.157 0.02 . 1 . . . . . 36 ARG N . 27004 1 51 . 1 1 37 37 ALA H H 1 8.075 0.01 . 1 . . . . . 37 ALA H . 27004 1 52 . 1 1 37 37 ALA N N 15 122.574 0.02 . 1 . . . . . 37 ALA N . 27004 1 53 . 1 1 40 40 LYS H H 1 7.821 0.01 . 1 . . . . . 40 LYS H . 27004 1 54 . 1 1 40 40 LYS N N 15 120.563 0.02 . 1 . . . . . 40 LYS N . 27004 1 55 . 1 1 41 41 SER H H 1 7.94 0.01 . 1 . . . . . 41 SER H . 27004 1 56 . 1 1 41 41 SER N N 15 112.648 0.02 . 1 . . . . . 41 SER N . 27004 1 57 . 1 1 42 42 GLY H H 1 7.705 0.01 . 1 . . . . . 42 GLY H . 27004 1 58 . 1 1 42 42 GLY N N 15 109.855 0.02 . 1 . . . . . 42 GLY N . 27004 1 59 . 1 1 43 43 SER H H 1 7.572 0.01 . 1 . . . . . 43 SER H . 27004 1 60 . 1 1 43 43 SER N N 15 114.292 0.02 . 1 . . . . . 43 SER N . 27004 1 61 . 1 1 45 45 LEU H H 1 8.123 0.01 . 1 . . . . . 45 LEU H . 27004 1 62 . 1 1 45 45 LEU N N 15 120.193 0.02 . 1 . . . . . 45 LEU N . 27004 1 63 . 1 1 46 46 GLY H H 1 7.744 0.01 . 1 . . . . . 46 GLY H . 27004 1 64 . 1 1 46 46 GLY N N 15 107.036 0.02 . 1 . . . . . 46 GLY N . 27004 1 65 . 1 1 47 47 LYS H H 1 8.228 0.01 . 1 . . . . . 47 LYS H . 27004 1 66 . 1 1 47 47 LYS N N 15 120.967 0.02 . 1 . . . . . 47 LYS N . 27004 1 67 . 1 1 48 48 GLN H H 1 7.585 0.01 . 1 . . . . . 48 GLN H . 27004 1 68 . 1 1 48 48 GLN N N 15 117.104 0.02 . 1 . . . . . 48 GLN N . 27004 1 69 . 1 1 50 50 LYS H H 1 7.893 0.01 . 1 . . . . . 50 LYS H . 27004 1 70 . 1 1 50 50 LYS N N 15 118.058 0.02 . 1 . . . . . 50 LYS N . 27004 1 71 . 1 1 51 51 ASP H H 1 8.077 0.01 . 1 . . . . . 51 ASP H . 27004 1 72 . 1 1 51 51 ASP N N 15 116.203 0.02 . 1 . . . . . 51 ASP N . 27004 1 73 . 1 1 52 52 ILE H H 1 7.189 0.01 . 1 . . . . . 52 ILE H . 27004 1 74 . 1 1 52 52 ILE N N 15 121.075 0.02 . 1 . . . . . 52 ILE N . 27004 1 75 . 1 1 53 53 MET H H 1 8.203 0.01 . 1 . . . . . 53 MET H . 27004 1 76 . 1 1 53 53 MET N N 15 118.305 0.02 . 1 . . . . . 53 MET N . 27004 1 77 . 1 1 54 54 ASP H H 1 8.437 0.01 . 1 . . . . . 54 ASP H . 27004 1 78 . 1 1 54 54 ASP N N 15 120.274 0.02 . 1 . . . . . 54 ASP N . 27004 1 79 . 1 1 55 55 ALA H H 1 7.241 0.01 . 1 . . . . . 55 ALA H . 27004 1 80 . 1 1 55 55 ALA N N 15 119.254 0.02 . 1 . . . . . 55 ALA N . 27004 1 81 . 1 1 56 56 GLY H H 1 7.923 0.01 . 1 . . . . . 56 GLY H . 27004 1 82 . 1 1 56 56 GLY N N 15 106.083 0.02 . 1 . . . . . 56 GLY N . 27004 1 83 . 1 1 57 57 LYS H H 1 7.174 0.01 . 1 . . . . . 57 LYS H . 27004 1 84 . 1 1 57 57 LYS N N 15 117.833 0.02 . 1 . . . . . 57 LYS N . 27004 1 85 . 1 1 58 58 LEU H H 1 8.923 0.01 . 1 . . . . . 58 LEU H . 27004 1 86 . 1 1 58 58 LEU N N 15 120.539 0.02 . 1 . . . . . 58 LEU N . 27004 1 87 . 1 1 59 59 VAL H H 1 8.789 0.01 . 1 . . . . . 59 VAL H . 27004 1 88 . 1 1 59 59 VAL N N 15 121.638 0.02 . 1 . . . . . 59 VAL N . 27004 1 89 . 1 1 60 60 THR H H 1 7.112 0.01 . 1 . . . . . 60 THR H . 27004 1 90 . 1 1 60 60 THR N N 15 118.611 0.02 . 1 . . . . . 60 THR N . 27004 1 91 . 1 1 61 61 ASP H H 1 8.853 0.01 . 1 . . . . . 61 ASP H . 27004 1 92 . 1 1 61 61 ASP N N 15 126.157 0.02 . 1 . . . . . 61 ASP N . 27004 1 93 . 1 1 62 62 GLU H H 1 9.293 0.01 . 1 . . . . . 62 GLU H . 27004 1 94 . 1 1 62 62 GLU N N 15 116.528 0.02 . 1 . . . . . 62 GLU N . 27004 1 95 . 1 1 63 63 LEU H H 1 6.891 0.01 . 1 . . . . . 63 LEU H . 27004 1 96 . 1 1 63 63 LEU N N 15 117.048 0.02 . 1 . . . . . 63 LEU N . 27004 1 97 . 1 1 64 64 VAL H H 1 7.047 0.01 . 1 . . . . . 64 VAL H . 27004 1 98 . 1 1 64 64 VAL N N 15 115.618 0.02 . 1 . . . . . 64 VAL N . 27004 1 99 . 1 1 65 65 ILE H H 1 8.796 0.01 . 1 . . . . . 65 ILE H . 27004 1 100 . 1 1 65 65 ILE N N 15 120.002 0.02 . 1 . . . . . 65 ILE N . 27004 1 101 . 1 1 66 66 ALA H H 1 7.081 0.01 . 1 . . . . . 66 ALA H . 27004 1 102 . 1 1 66 66 ALA N N 15 119.418 0.02 . 1 . . . . . 66 ALA N . 27004 1 103 . 1 1 67 67 LEU H H 1 7.087 0.01 . 1 . . . . . 67 LEU H . 27004 1 104 . 1 1 67 67 LEU N N 15 118.082 0.02 . 1 . . . . . 67 LEU N . 27004 1 105 . 1 1 68 68 VAL H H 1 7.776 0.01 . 1 . . . . . 68 VAL H . 27004 1 106 . 1 1 68 68 VAL N N 15 119.221 0.02 . 1 . . . . . 68 VAL N . 27004 1 107 . 1 1 69 69 LYS H H 1 8.297 0.01 . 1 . . . . . 69 LYS H . 27004 1 108 . 1 1 69 69 LYS N N 15 118.029 0.02 . 1 . . . . . 69 LYS N . 27004 1 109 . 1 1 70 70 GLU H H 1 7.284 0.01 . 1 . . . . . 70 GLU H . 27004 1 110 . 1 1 70 70 GLU N N 15 116.373 0.02 . 1 . . . . . 70 GLU N . 27004 1 111 . 1 1 71 71 ARG H H 1 7.369 0.01 . 1 . . . . . 71 ARG H . 27004 1 112 . 1 1 71 71 ARG N N 15 120.155 0.02 . 1 . . . . . 71 ARG N . 27004 1 113 . 1 1 72 72 ILE H H 1 8.135 0.01 . 1 . . . . . 72 ILE H . 27004 1 114 . 1 1 72 72 ILE N N 15 111.8 0.02 . 1 . . . . . 72 ILE N . 27004 1 115 . 1 1 73 73 ALA H H 1 6.788 0.01 . 1 . . . . . 73 ALA H . 27004 1 116 . 1 1 73 73 ALA N N 15 121.278 0.02 . 1 . . . . . 73 ALA N . 27004 1 117 . 1 1 74 74 GLN H H 1 7.124 0.01 . 1 . . . . . 74 GLN H . 27004 1 118 . 1 1 74 74 GLN N N 15 116.415 0.02 . 1 . . . . . 74 GLN N . 27004 1 119 . 1 1 76 76 ASP H H 1 8.406 0.01 . 1 . . . . . 76 ASP H . 27004 1 120 . 1 1 76 76 ASP N N 15 117.461 0.02 . 1 . . . . . 76 ASP N . 27004 1 121 . 1 1 77 77 CYS H H 1 7.591 0.01 . 1 . . . . . 77 CYS H . 27004 1 122 . 1 1 77 77 CYS N N 15 117.916 0.02 . 1 . . . . . 77 CYS N . 27004 1 123 . 1 1 78 78 ARG H H 1 7.649 0.01 . 1 . . . . . 78 ARG H . 27004 1 124 . 1 1 78 78 ARG N N 15 121.893 0.02 . 1 . . . . . 78 ARG N . 27004 1 125 . 1 1 79 79 ASN H H 1 8.354 0.01 . 1 . . . . . 79 ASN H . 27004 1 126 . 1 1 79 79 ASN N N 15 115.266 0.02 . 1 . . . . . 79 ASN N . 27004 1 127 . 1 1 80 80 GLY H H 1 7.32 0.01 . 1 . . . . . 80 GLY H . 27004 1 128 . 1 1 80 80 GLY N N 15 107.457 0.02 . 1 . . . . . 80 GLY N . 27004 1 129 . 1 1 81 81 PHE H H 1 7.425 0.01 . 1 . . . . . 81 PHE H . 27004 1 130 . 1 1 81 81 PHE N N 15 109.229 0.02 . 1 . . . . . 81 PHE N . 27004 1 131 . 1 1 82 82 LEU H H 1 8.661 0.01 . 1 . . . . . 82 LEU H . 27004 1 132 . 1 1 82 82 LEU N N 15 121.686 0.02 . 1 . . . . . 82 LEU N . 27004 1 133 . 1 1 83 83 LEU H H 1 9.611 0.01 . 1 . . . . . 83 LEU H . 27004 1 134 . 1 1 83 83 LEU N N 15 127.819 0.02 . 1 . . . . . 83 LEU N . 27004 1 135 . 1 1 84 84 ASP H H 1 8.645 0.01 . 1 . . . . . 84 ASP H . 27004 1 136 . 1 1 84 84 ASP N N 15 123.664 0.02 . 1 . . . . . 84 ASP N . 27004 1 137 . 1 1 88 88 ARG H H 1 8.201 0.01 . 1 . . . . . 88 ARG H . 27004 1 138 . 1 1 88 88 ARG N N 15 116.395 0.02 . 1 . . . . . 88 ARG N . 27004 1 139 . 1 1 89 89 THR H H 1 6.99 0.01 . 1 . . . . . 89 THR H . 27004 1 140 . 1 1 89 89 THR N N 15 107.354 0.02 . 1 . . . . . 89 THR N . 27004 1 141 . 1 1 90 90 ILE H H 1 9.685 0.01 . 1 . . . . . 90 ILE H . 27004 1 142 . 1 1 90 90 ILE N N 15 123.604 0.02 . 1 . . . . . 90 ILE N . 27004 1 143 . 1 1 92 92 GLN H H 1 7.115 0.01 . 1 . . . . . 92 GLN H . 27004 1 144 . 1 1 92 92 GLN N N 15 115.445 0.02 . 1 . . . . . 92 GLN N . 27004 1 145 . 1 1 93 93 ALA H H 1 7.451 0.01 . 1 . . . . . 93 ALA H . 27004 1 146 . 1 1 93 93 ALA N N 15 123.976 0.02 . 1 . . . . . 93 ALA N . 27004 1 147 . 1 1 94 94 ASP H H 1 9.089 0.01 . 1 . . . . . 94 ASP H . 27004 1 148 . 1 1 94 94 ASP N N 15 120.844 0.02 . 1 . . . . . 94 ASP N . 27004 1 149 . 1 1 95 95 ALA H H 1 7.875 0.01 . 1 . . . . . 95 ALA H . 27004 1 150 . 1 1 95 95 ALA N N 15 122.145 0.02 . 1 . . . . . 95 ALA N . 27004 1 151 . 1 1 96 96 MET H H 1 7.445 0.01 . 1 . . . . . 96 MET H . 27004 1 152 . 1 1 96 96 MET N N 15 117.206 0.02 . 1 . . . . . 96 MET N . 27004 1 153 . 1 1 97 97 LYS H H 1 7.587 0.01 . 1 . . . . . 97 LYS H . 27004 1 154 . 1 1 97 97 LYS N N 15 120.871 0.02 . 1 . . . . . 97 LYS N . 27004 1 155 . 1 1 98 98 GLU H H 1 8.592 0.01 . 1 . . . . . 98 GLU H . 27004 1 156 . 1 1 98 98 GLU N N 15 120.901 0.02 . 1 . . . . . 98 GLU N . 27004 1 157 . 1 1 99 99 ALA H H 1 7.236 0.01 . 1 . . . . . 99 ALA H . 27004 1 158 . 1 1 99 99 ALA N N 15 118.173 0.02 . 1 . . . . . 99 ALA N . 27004 1 159 . 1 1 100 100 GLY H H 1 7.825 0.01 . 1 . . . . . 100 GLY H . 27004 1 160 . 1 1 100 100 GLY N N 15 107.929 0.02 . 1 . . . . . 100 GLY N . 27004 1 161 . 1 1 102 102 ASN H H 1 7.954 0.01 . 1 . . . . . 102 ASN H . 27004 1 162 . 1 1 102 102 ASN N N 15 124.969 0.02 . 1 . . . . . 102 ASN N . 27004 1 163 . 1 1 103 103 VAL H H 1 8.804 0.01 . 1 . . . . . 103 VAL H . 27004 1 164 . 1 1 103 103 VAL N N 15 113.28 0.02 . 1 . . . . . 103 VAL N . 27004 1 165 . 1 1 105 105 TYR H H 1 7.448 0.01 . 1 . . . . . 105 TYR H . 27004 1 166 . 1 1 105 105 TYR N N 15 114.979 0.02 . 1 . . . . . 105 TYR N . 27004 1 167 . 1 1 106 106 VAL H H 1 8.683 0.01 . 1 . . . . . 106 VAL H . 27004 1 168 . 1 1 106 106 VAL N N 15 123.159 0.02 . 1 . . . . . 106 VAL N . 27004 1 169 . 1 1 107 107 LEU H H 1 8.485 0.01 . 1 . . . . . 107 LEU H . 27004 1 170 . 1 1 107 107 LEU N N 15 125.056 0.02 . 1 . . . . . 107 LEU N . 27004 1 171 . 1 1 109 109 PHE H H 1 9.239 0.01 . 1 . . . . . 109 PHE H . 27004 1 172 . 1 1 109 109 PHE N N 15 128.445 0.02 . 1 . . . . . 109 PHE N . 27004 1 173 . 1 1 110 110 ASP H H 1 8.783 0.01 . 1 . . . . . 110 ASP H . 27004 1 174 . 1 1 110 110 ASP N N 15 125.457 0.02 . 1 . . . . . 110 ASP N . 27004 1 175 . 1 1 111 111 VAL H H 1 7.464 0.01 . 1 . . . . . 111 VAL H . 27004 1 176 . 1 1 111 111 VAL N N 15 124.9 0.02 . 1 . . . . . 111 VAL N . 27004 1 177 . 1 1 113 113 ASP H H 1 8.635 0.01 . 1 . . . . . 113 ASP H . 27004 1 178 . 1 1 113 113 ASP N N 15 121.548 0.02 . 1 . . . . . 113 ASP N . 27004 1 179 . 1 1 114 114 GLU H H 1 9.043 0.01 . 1 . . . . . 114 GLU H . 27004 1 180 . 1 1 114 114 GLU N N 15 115.119 0.02 . 1 . . . . . 114 GLU N . 27004 1 181 . 1 1 115 115 LEU H H 1 7.09 0.01 . 1 . . . . . 115 LEU H . 27004 1 182 . 1 1 115 115 LEU N N 15 118.209 0.02 . 1 . . . . . 115 LEU N . 27004 1 183 . 1 1 116 116 ILE H H 1 7.302 0.01 . 1 . . . . . 116 ILE H . 27004 1 184 . 1 1 116 116 ILE N N 15 119.544 0.02 . 1 . . . . . 116 ILE N . 27004 1 185 . 1 1 117 117 VAL H H 1 8.024 0.01 . 1 . . . . . 117 VAL H . 27004 1 186 . 1 1 117 117 VAL N N 15 118.51 0.02 . 1 . . . . . 117 VAL N . 27004 1 187 . 1 1 118 118 ASP H H 1 7.754 0.01 . 1 . . . . . 118 ASP H . 27004 1 188 . 1 1 118 118 ASP N N 15 116.707 0.02 . 1 . . . . . 118 ASP N . 27004 1 189 . 1 1 119 119 ARG H H 1 7.992 0.01 . 1 . . . . . 119 ARG H . 27004 1 190 . 1 1 119 119 ARG N N 15 119.199 0.02 . 1 . . . . . 119 ARG N . 27004 1 191 . 1 1 120 120 ILE H H 1 8.108 0.01 . 1 . . . . . 120 ILE H . 27004 1 192 . 1 1 120 120 ILE N N 15 117.044 0.02 . 1 . . . . . 120 ILE N . 27004 1 193 . 1 1 121 121 VAL H H 1 8.333 0.01 . 1 . . . . . 121 VAL H . 27004 1 194 . 1 1 121 121 VAL N N 15 116.36 0.02 . 1 . . . . . 121 VAL N . 27004 1 195 . 1 1 122 122 GLY H H 1 7.137 0.01 . 1 . . . . . 122 GLY H . 27004 1 196 . 1 1 122 122 GLY N N 15 104.521 0.02 . 1 . . . . . 122 GLY N . 27004 1 197 . 1 1 123 123 ARG H H 1 7.59 0.01 . 1 . . . . . 123 ARG H . 27004 1 198 . 1 1 123 123 ARG N N 15 122.072 0.02 . 1 . . . . . 123 ARG N . 27004 1 199 . 1 1 124 124 ARG H H 1 8.345 0.01 . 1 . . . . . 124 ARG H . 27004 1 200 . 1 1 124 124 ARG N N 15 128.993 0.02 . 1 . . . . . 124 ARG N . 27004 1 201 . 1 1 125 125 VAL H H 1 9.25 0.01 . 1 . . . . . 125 VAL H . 27004 1 202 . 1 1 125 125 VAL N N 15 116.499 0.02 . 1 . . . . . 125 VAL N . 27004 1 203 . 1 1 126 126 HIS H H 1 9.072 0.01 . 1 . . . . . 126 HIS H . 27004 1 204 . 1 1 126 126 HIS N N 15 125.589 0.02 . 1 . . . . . 126 HIS N . 27004 1 205 . 1 1 127 127 ALA H H 1 8.947 0.01 . 1 . . . . . 127 ALA H . 27004 1 206 . 1 1 127 127 ALA N N 15 129.181 0.02 . 1 . . . . . 127 ALA N . 27004 1 207 . 1 1 129 129 SER H H 1 6.709 0.01 . 1 . . . . . 129 SER H . 27004 1 208 . 1 1 129 129 SER N N 15 107.605 0.02 . 1 . . . . . 129 SER N . 27004 1 209 . 1 1 130 130 GLY H H 1 8.443 0.01 . 1 . . . . . 130 GLY H . 27004 1 210 . 1 1 130 130 GLY N N 15 112.968 0.02 . 1 . . . . . 130 GLY N . 27004 1 211 . 1 1 131 131 ARG H H 1 8.367 0.01 . 1 . . . . . 131 ARG H . 27004 1 212 . 1 1 131 131 ARG N N 15 121.924 0.02 . 1 . . . . . 131 ARG N . 27004 1 213 . 1 1 135 135 VAL H H 1 7.805 0.01 . 1 . . . . . 135 VAL H . 27004 1 214 . 1 1 135 135 VAL N N 15 120.037 0.02 . 1 . . . . . 135 VAL N . 27004 1 215 . 1 1 136 136 LYS H H 1 9.466 0.01 . 1 . . . . . 136 LYS H . 27004 1 216 . 1 1 136 136 LYS N N 15 120.044 0.02 . 1 . . . . . 136 LYS N . 27004 1 217 . 1 1 137 137 PHE H H 1 9.048 0.01 . 1 . . . . . 137 PHE H . 27004 1 218 . 1 1 137 137 PHE N N 15 118.088 0.02 . 1 . . . . . 137 PHE N . 27004 1 219 . 1 1 138 138 ASN H H 1 7.927 0.01 . 1 . . . . . 138 ASN H . 27004 1 220 . 1 1 138 138 ASN N N 15 113.113 0.02 . 1 . . . . . 138 ASN N . 27004 1 221 . 1 1 141 141 LYS H H 1 10.065 0.01 . 1 . . . . . 141 LYS H . 27004 1 222 . 1 1 141 141 LYS N N 15 123.902 0.02 . 1 . . . . . 141 LYS N . 27004 1 223 . 1 1 142 142 VAL H H 1 8.739 0.01 . 1 . . . . . 142 VAL H . 27004 1 224 . 1 1 142 142 VAL N N 15 120.692 0.02 . 1 . . . . . 142 VAL N . 27004 1 225 . 1 1 143 143 GLU H H 1 8.071 0.01 . 1 . . . . . 143 GLU H . 27004 1 226 . 1 1 143 143 GLU N N 15 125.554 0.02 . 1 . . . . . 143 GLU N . 27004 1 227 . 1 1 144 144 GLY H H 1 8.721 0.01 . 1 . . . . . 144 GLY H . 27004 1 228 . 1 1 144 144 GLY N N 15 111.651 0.02 . 1 . . . . . 144 GLY N . 27004 1 229 . 1 1 145 145 LYS H H 1 7.912 0.01 . 1 . . . . . 145 LYS H . 27004 1 230 . 1 1 145 145 LYS N N 15 119.457 0.02 . 1 . . . . . 145 LYS N . 27004 1 231 . 1 1 146 146 ASP H H 1 8.977 0.01 . 1 . . . . . 146 ASP H . 27004 1 232 . 1 1 146 146 ASP N N 15 119.889 0.02 . 1 . . . . . 146 ASP N . 27004 1 233 . 1 1 147 147 ASP H H 1 7.869 0.01 . 1 . . . . . 147 ASP H . 27004 1 234 . 1 1 147 147 ASP N N 15 126.983 0.02 . 1 . . . . . 147 ASP N . 27004 1 235 . 1 1 148 148 VAL H H 1 6.268 0.01 . 1 . . . . . 148 VAL H . 27004 1 236 . 1 1 148 148 VAL N N 15 115.229 0.02 . 1 . . . . . 148 VAL N . 27004 1 237 . 1 1 149 149 THR H H 1 7.443 0.01 . 1 . . . . . 149 THR H . 27004 1 238 . 1 1 149 149 THR N N 15 105.581 0.02 . 1 . . . . . 149 THR N . 27004 1 239 . 1 1 150 150 GLY H H 1 7.768 0.01 . 1 . . . . . 150 GLY H . 27004 1 240 . 1 1 150 150 GLY N N 15 111.112 0.02 . 1 . . . . . 150 GLY N . 27004 1 241 . 1 1 151 151 GLU H H 1 7.571 0.01 . 1 . . . . . 151 GLU H . 27004 1 242 . 1 1 151 151 GLU N N 15 118.707 0.02 . 1 . . . . . 151 GLU N . 27004 1 243 . 1 1 152 152 GLU H H 1 8.623 0.01 . 1 . . . . . 152 GLU H . 27004 1 244 . 1 1 152 152 GLU N N 15 119.822 0.02 . 1 . . . . . 152 GLU N . 27004 1 245 . 1 1 153 153 LEU H H 1 7.879 0.01 . 1 . . . . . 153 LEU H . 27004 1 246 . 1 1 153 153 LEU N N 15 121.216 0.02 . 1 . . . . . 153 LEU N . 27004 1 247 . 1 1 154 154 THR H H 1 9.274 0.01 . 1 . . . . . 154 THR H . 27004 1 248 . 1 1 154 154 THR N N 15 113.578 0.02 . 1 . . . . . 154 THR N . 27004 1 249 . 1 1 155 155 THR H H 1 8.239 0.01 . 1 . . . . . 155 THR H . 27004 1 250 . 1 1 155 155 THR N N 15 113.486 0.02 . 1 . . . . . 155 THR N . 27004 1 251 . 1 1 156 156 ARG H H 1 9.765 0.01 . 1 . . . . . 156 ARG H . 27004 1 252 . 1 1 156 156 ARG N N 15 126.825 0.02 . 1 . . . . . 156 ARG N . 27004 1 253 . 1 1 158 158 ASP H H 1 8.62 0.01 . 1 . . . . . 158 ASP H . 27004 1 254 . 1 1 158 158 ASP N N 15 113.073 0.02 . 1 . . . . . 158 ASP N . 27004 1 255 . 1 1 159 159 ASP H H 1 7.257 0.01 . 1 . . . . . 159 ASP H . 27004 1 256 . 1 1 159 159 ASP N N 15 122.19 0.02 . 1 . . . . . 159 ASP N . 27004 1 257 . 1 1 160 160 GLN H H 1 7.004 0.01 . 1 . . . . . 160 GLN H . 27004 1 258 . 1 1 160 160 GLN N N 15 117.729 0.02 . 1 . . . . . 160 GLN N . 27004 1 259 . 1 1 161 161 GLU H H 1 9.153 0.01 . 1 . . . . . 161 GLU H . 27004 1 260 . 1 1 161 161 GLU N N 15 124.908 0.02 . 1 . . . . . 161 GLU N . 27004 1 261 . 1 1 162 162 GLU H H 1 9.109 0.01 . 1 . . . . . 162 GLU H . 27004 1 262 . 1 1 162 162 GLU N N 15 116.501 0.02 . 1 . . . . . 162 GLU N . 27004 1 263 . 1 1 163 163 THR H H 1 7.241 0.01 . 1 . . . . . 163 THR H . 27004 1 264 . 1 1 163 163 THR N N 15 115.847 0.02 . 1 . . . . . 163 THR N . 27004 1 265 . 1 1 164 164 VAL H H 1 8.459 0.01 . 1 . . . . . 164 VAL H . 27004 1 266 . 1 1 164 164 VAL N N 15 123.742 0.02 . 1 . . . . . 164 VAL N . 27004 1 267 . 1 1 165 165 ARG H H 1 8.12 0.01 . 1 . . . . . 165 ARG H . 27004 1 268 . 1 1 165 165 ARG N N 15 117.736 0.02 . 1 . . . . . 165 ARG N . 27004 1 269 . 1 1 166 166 LYS H H 1 7.427 0.01 . 1 . . . . . 166 LYS H . 27004 1 270 . 1 1 166 166 LYS N N 15 119.581 0.02 . 1 . . . . . 166 LYS N . 27004 1 271 . 1 1 168 168 LEU H H 1 8.501 0.01 . 1 . . . . . 168 LEU H . 27004 1 272 . 1 1 168 168 LEU N N 15 123.179 0.02 . 1 . . . . . 168 LEU N . 27004 1 273 . 1 1 169 169 VAL H H 1 7.82 0.01 . 1 . . . . . 169 VAL H . 27004 1 274 . 1 1 169 169 VAL N N 15 121.193 0.02 . 1 . . . . . 169 VAL N . 27004 1 275 . 1 1 170 170 GLU H H 1 7.886 0.01 . 1 . . . . . 170 GLU H . 27004 1 276 . 1 1 170 170 GLU N N 15 119.283 0.02 . 1 . . . . . 170 GLU N . 27004 1 277 . 1 1 172 172 HIS H H 1 8.464 0.01 . 1 . . . . . 172 HIS H . 27004 1 278 . 1 1 172 172 HIS N N 15 119.31 0.02 . 1 . . . . . 172 HIS N . 27004 1 279 . 1 1 173 173 GLN H H 1 7.973 0.01 . 1 . . . . . 173 GLN H . 27004 1 280 . 1 1 173 173 GLN N N 15 115.592 0.02 . 1 . . . . . 173 GLN N . 27004 1 281 . 1 1 174 174 MET H H 1 8.548 0.01 . 1 . . . . . 174 MET H . 27004 1 282 . 1 1 174 174 MET N N 15 112.758 0.02 . 1 . . . . . 174 MET N . 27004 1 283 . 1 1 175 175 THR H H 1 7.785 0.01 . 1 . . . . . 175 THR H . 27004 1 284 . 1 1 175 175 THR N N 15 117.024 0.02 . 1 . . . . . 175 THR N . 27004 1 285 . 1 1 176 176 ALA H H 1 7.758 0.01 . 1 . . . . . 176 ALA H . 27004 1 286 . 1 1 176 176 ALA N N 15 125.52 0.02 . 1 . . . . . 176 ALA N . 27004 1 287 . 1 1 178 178 LEU H H 1 8.604 0.01 . 1 . . . . . 178 LEU H . 27004 1 288 . 1 1 178 178 LEU N N 15 117.384 0.02 . 1 . . . . . 178 LEU N . 27004 1 289 . 1 1 179 179 ILE H H 1 8.037 0.01 . 1 . . . . . 179 ILE H . 27004 1 290 . 1 1 179 179 ILE N N 15 123.074 0.02 . 1 . . . . . 179 ILE N . 27004 1 291 . 1 1 180 180 GLY H H 1 7.685 0.01 . 1 . . . . . 180 GLY H . 27004 1 292 . 1 1 180 180 GLY N N 15 109.207 0.02 . 1 . . . . . 180 GLY N . 27004 1 293 . 1 1 181 181 TYR H H 1 7.537 0.01 . 1 . . . . . 181 TYR H . 27004 1 294 . 1 1 181 181 TYR N N 15 122.924 0.02 . 1 . . . . . 181 TYR N . 27004 1 295 . 1 1 182 182 TYR H H 1 8.994 0.01 . 1 . . . . . 182 TYR H . 27004 1 296 . 1 1 182 182 TYR N N 15 116.75 0.02 . 1 . . . . . 182 TYR N . 27004 1 297 . 1 1 184 184 LYS H H 1 7.643 0.01 . 1 . . . . . 184 LYS H . 27004 1 298 . 1 1 184 184 LYS N N 15 123.226 0.02 . 1 . . . . . 184 LYS N . 27004 1 299 . 1 1 185 185 GLU H H 1 7.376 0.01 . 1 . . . . . 185 GLU H . 27004 1 300 . 1 1 185 185 GLU N N 15 119.503 0.02 . 1 . . . . . 185 GLU N . 27004 1 301 . 1 1 186 186 ALA H H 1 8.241 0.01 . 1 . . . . . 186 ALA H . 27004 1 302 . 1 1 186 186 ALA N N 15 122.656 0.02 . 1 . . . . . 186 ALA N . 27004 1 303 . 1 1 187 187 GLU H H 1 8.046 0.01 . 1 . . . . . 187 GLU H . 27004 1 304 . 1 1 187 187 GLU N N 15 122.501 0.02 . 1 . . . . . 187 GLU N . 27004 1 305 . 1 1 188 188 ALA H H 1 7.395 0.01 . 1 . . . . . 188 ALA H . 27004 1 306 . 1 1 188 188 ALA N N 15 118.605 0.02 . 1 . . . . . 188 ALA N . 27004 1 307 . 1 1 189 189 GLY H H 1 7.816 0.01 . 1 . . . . . 189 GLY H . 27004 1 308 . 1 1 189 189 GLY N N 15 105.229 0.02 . 1 . . . . . 189 GLY N . 27004 1 309 . 1 1 190 190 ASN H H 1 8.12 0.01 . 1 . . . . . 190 ASN H . 27004 1 310 . 1 1 190 190 ASN N N 15 116.773 0.02 . 1 . . . . . 190 ASN N . 27004 1 311 . 1 1 191 191 THR H H 1 7.435 0.01 . 1 . . . . . 191 THR H . 27004 1 312 . 1 1 191 191 THR N N 15 112.706 0.02 . 1 . . . . . 191 THR N . 27004 1 313 . 1 1 194 194 ALA H H 1 8.491 0.01 . 1 . . . . . 194 ALA H . 27004 1 314 . 1 1 194 194 ALA N N 15 131.304 0.02 . 1 . . . . . 194 ALA N . 27004 1 315 . 1 1 195 195 LYS H H 1 8.371 0.01 . 1 . . . . . 195 LYS H . 27004 1 316 . 1 1 195 195 LYS N N 15 122.34 0.02 . 1 . . . . . 195 LYS N . 27004 1 317 . 1 1 197 197 ASP H H 1 8.688 0.01 . 1 . . . . . 197 ASP H . 27004 1 318 . 1 1 197 197 ASP N N 15 123.887 0.02 . 1 . . . . . 197 ASP N . 27004 1 319 . 1 1 198 198 GLY H H 1 8.349 0.01 . 1 . . . . . 198 GLY H . 27004 1 320 . 1 1 198 198 GLY N N 15 111.946 0.02 . 1 . . . . . 198 GLY N . 27004 1 321 . 1 1 199 199 THR H H 1 8.719 0.01 . 1 . . . . . 199 THR H . 27004 1 322 . 1 1 199 199 THR N N 15 111.998 0.02 . 1 . . . . . 199 THR N . 27004 1 323 . 1 1 200 200 LYS H H 1 6.328 0.01 . 1 . . . . . 200 LYS H . 27004 1 324 . 1 1 200 200 LYS N N 15 122.517 0.02 . 1 . . . . . 200 LYS N . 27004 1 325 . 1 1 202 202 VAL H H 1 8.167 0.01 . 1 . . . . . 202 VAL H . 27004 1 326 . 1 1 202 202 VAL N N 15 122.733 0.02 . 1 . . . . . 202 VAL N . 27004 1 327 . 1 1 203 203 ALA H H 1 8.817 0.01 . 1 . . . . . 203 ALA H . 27004 1 328 . 1 1 203 203 ALA N N 15 118.218 0.02 . 1 . . . . . 203 ALA N . 27004 1 329 . 1 1 204 204 GLU H H 1 7.329 0.01 . 1 . . . . . 204 GLU H . 27004 1 330 . 1 1 204 204 GLU N N 15 118.362 0.02 . 1 . . . . . 204 GLU N . 27004 1 331 . 1 1 205 205 VAL H H 1 7.904 0.01 . 1 . . . . . 205 VAL H . 27004 1 332 . 1 1 205 205 VAL N N 15 121.737 0.02 . 1 . . . . . 205 VAL N . 27004 1 333 . 1 1 206 206 ARG H H 1 7.705 0.01 . 1 . . . . . 206 ARG H . 27004 1 334 . 1 1 206 206 ARG N N 15 118.609 0.02 . 1 . . . . . 206 ARG N . 27004 1 335 . 1 1 207 207 ALA H H 1 7.177 0.01 . 1 . . . . . 207 ALA H . 27004 1 336 . 1 1 207 207 ALA N N 15 120.304 0.02 . 1 . . . . . 207 ALA N . 27004 1 337 . 1 1 209 209 LEU H H 1 8.295 0.01 . 1 . . . . . 209 LEU H . 27004 1 338 . 1 1 209 209 LEU N N 15 121.044 0.02 . 1 . . . . . 209 LEU N . 27004 1 339 . 1 1 210 210 GLU H H 1 8.218 0.01 . 1 . . . . . 210 GLU H . 27004 1 340 . 1 1 210 210 GLU N N 15 119.415 0.02 . 1 . . . . . 210 GLU N . 27004 1 341 . 1 1 211 211 LYS H H 1 7.4 0.01 . 1 . . . . . 211 LYS H . 27004 1 342 . 1 1 211 211 LYS N N 15 118.04 0.02 . 1 . . . . . 211 LYS N . 27004 1 343 . 1 1 212 212 ILE H H 1 7.136 0.01 . 1 . . . . . 212 ILE H . 27004 1 344 . 1 1 212 212 ILE N N 15 119.231 0.02 . 1 . . . . . 212 ILE N . 27004 1 345 . 1 1 213 213 LEU H H 1 7.893 0.01 . 1 . . . . . 213 LEU H . 27004 1 346 . 1 1 213 213 LEU N N 15 117.421 0.02 . 1 . . . . . 213 LEU N . 27004 1 347 . 1 1 214 214 GLY H H 1 7.634 0.01 . 1 . . . . . 214 GLY H . 27004 1 348 . 1 1 214 214 GLY N N 15 112.22 0.02 . 1 . . . . . 214 GLY N . 27004 1 stop_ save_