################################### # 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 15481 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15481 1 2 '3D 1H-15N NOESY' . . . 15481 1 3 '3D 1H-15N TOCSY' . . . 15481 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 3 $CcpNmr_Analysis . . 15481 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 2 2 MET H H 1 8.175 0.01 . 1 . . . . 2 MET H . 15481 1 2 . 1 1 2 2 MET N N 15 116.778 0.1 . 1 . . . . 2 MET N . 15481 1 3 . 1 1 3 3 ALA H H 1 8.408 0.01 . 1 . . . . 3 ALA H . 15481 1 4 . 1 1 3 3 ALA N N 15 125.898 0.1 . 1 . . . . 3 ALA N . 15481 1 5 . 1 1 4 4 ARG H H 1 8.339 0.01 . 1 . . . . 4 ARG H . 15481 1 6 . 1 1 4 4 ARG N N 15 120.307 0.1 . 1 . . . . 4 ARG N . 15481 1 7 . 1 1 5 5 GLU H H 1 8.345 0.01 . 1 . . . . 5 GLU H . 15481 1 8 . 1 1 5 5 GLU N N 15 121.351 0.1 . 1 . . . . 5 GLU N . 15481 1 9 . 1 1 6 6 GLN H H 1 8.577 0.01 . 1 . . . . 6 GLN H . 15481 1 10 . 1 1 6 6 GLN N N 15 121.831 0.1 . 1 . . . . 6 GLN N . 15481 1 11 . 1 1 8 8 ILE H H 1 8.551 0.01 . 1 . . . . 8 ILE H . 15481 1 12 . 1 1 8 8 ILE N N 15 117.054 0.1 . 1 . . . . 8 ILE N . 15481 1 13 . 1 1 9 9 PHE H H 1 7.264 0.01 . 1 . . . . 9 PHE H . 15481 1 14 . 1 1 9 9 PHE N N 15 119.611 0.1 . 1 . . . . 9 PHE N . 15481 1 15 . 1 1 10 10 SER H H 1 7.882 0.01 . 1 . . . . 10 SER H . 15481 1 16 . 1 1 10 10 SER N N 15 123.306 0.1 . 1 . . . . 10 SER N . 15481 1 17 . 1 1 11 11 THR H H 1 8.876 0.01 . 1 . . . . 11 THR H . 15481 1 18 . 1 1 11 11 THR N N 15 118.480 0.1 . 1 . . . . 11 THR N . 15481 1 19 . 1 1 12 12 ARG H H 1 8.170 0.01 . 1 . . . . 12 ARG H . 15481 1 20 . 1 1 12 12 ARG N N 15 122.883 0.1 . 1 . . . . 12 ARG N . 15481 1 21 . 1 1 13 13 ALA H H 1 8.964 0.01 . 1 . . . . 13 ALA H . 15481 1 22 . 1 1 13 13 ALA N N 15 123.291 0.1 . 1 . . . . 13 ALA N . 15481 1 23 . 1 1 14 14 HIS H H 1 8.873 0.01 . 1 . . . . 14 HIS H . 15481 1 24 . 1 1 14 14 HIS N N 15 120.815 0.1 . 1 . . . . 14 HIS N . 15481 1 25 . 1 1 15 15 VAL H H 1 8.457 0.01 . 1 . . . . 15 VAL H . 15481 1 26 . 1 1 15 15 VAL N N 15 124.783 0.1 . 1 . . . . 15 VAL N . 15481 1 27 . 1 1 16 16 PHE H H 1 9.407 0.01 . 1 . . . . 16 PHE H . 15481 1 28 . 1 1 16 16 PHE N N 15 125.496 0.1 . 1 . . . . 16 PHE N . 15481 1 29 . 1 1 17 17 GLN H H 1 8.899 0.01 . 1 . . . . 17 GLN H . 15481 1 30 . 1 1 17 17 GLN N N 15 118.259 0.1 . 1 . . . . 17 GLN N . 15481 1 31 . 1 1 18 18 ILE H H 1 8.048 0.01 . 1 . . . . 18 ILE H . 15481 1 32 . 1 1 18 18 ILE N N 15 126.060 0.1 . 1 . . . . 18 ILE N . 15481 1 33 . 1 1 19 19 ASP H H 1 8.385 0.01 . 1 . . . . 19 ASP H . 15481 1 34 . 1 1 19 19 ASP N N 15 127.599 0.1 . 1 . . . . 19 ASP N . 15481 1 35 . 1 1 21 21 ALA H H 1 8.100 0.01 . 1 . . . . 21 ALA H . 15481 1 36 . 1 1 21 21 ALA N N 15 119.788 0.1 . 1 . . . . 21 ALA N . 15481 1 37 . 1 1 22 22 THR H H 1 7.699 0.01 . 1 . . . . 22 THR H . 15481 1 38 . 1 1 22 22 THR N N 15 106.540 0.1 . 1 . . . . 22 THR N . 15481 1 39 . 1 1 23 23 LYS H H 1 8.249 0.01 . 1 . . . . 23 LYS H . 15481 1 40 . 1 1 23 23 LYS N N 15 117.679 0.1 . 1 . . . . 23 LYS N . 15481 1 41 . 1 1 24 24 ARG H H 1 7.895 0.01 . 1 . . . . 24 ARG H . 15481 1 42 . 1 1 24 24 ARG N N 15 115.494 0.1 . 1 . . . . 24 ARG N . 15481 1 43 . 1 1 25 25 ASN H H 1 7.569 0.01 . 1 . . . . 25 ASN H . 15481 1 44 . 1 1 25 25 ASN N N 15 116.303 0.1 . 1 . . . . 25 ASN N . 15481 1 45 . 1 1 26 26 TRP H H 1 8.567 0.01 . 1 . . . . 26 TRP H . 15481 1 46 . 1 1 26 26 TRP HE1 H 1 9.684 0.01 . 1 . . . . 26 TRP HE1 . 15481 1 47 . 1 1 26 26 TRP N N 15 121.191 0.1 . 1 . . . . 26 TRP N . 15481 1 48 . 1 1 26 26 TRP NE1 N 15 128.472 0.1 . 1 . . . . 26 TRP NE1 . 15481 1 49 . 1 1 27 27 ILE H H 1 9.708 0.01 . 1 . . . . 27 ILE H . 15481 1 50 . 1 1 27 27 ILE N N 15 125.873 0.1 . 1 . . . . 27 ILE N . 15481 1 51 . 1 1 29 29 ALA H H 1 8.597 0.01 . 1 . . . . 29 ALA H . 15481 1 52 . 1 1 29 29 ALA N N 15 125.992 0.1 . 1 . . . . 29 ALA N . 15481 1 53 . 1 1 30 30 GLY H H 1 7.517 0.01 . 1 . . . . 30 GLY H . 15481 1 54 . 1 1 30 30 GLY N N 15 105.088 0.1 . 1 . . . . 30 GLY N . 15481 1 55 . 1 1 31 31 LYS H H 1 8.406 0.01 . 1 . . . . 31 LYS H . 15481 1 56 . 1 1 31 31 LYS N N 15 120.740 0.1 . 1 . . . . 31 LYS N . 15481 1 57 . 1 1 32 32 HIS H H 1 7.755 0.01 . 1 . . . . 32 HIS H . 15481 1 58 . 1 1 32 32 HIS N N 15 115.798 0.1 . 1 . . . . 32 HIS N . 15481 1 59 . 1 1 33 33 ALA H H 1 8.590 0.01 . 1 . . . . 33 ALA H . 15481 1 60 . 1 1 33 33 ALA N N 15 124.138 0.1 . 1 . . . . 33 ALA N . 15481 1 61 . 1 1 34 34 LEU H H 1 8.346 0.01 . 1 . . . . 34 LEU H . 15481 1 62 . 1 1 34 34 LEU N N 15 122.176 0.1 . 1 . . . . 34 LEU N . 15481 1 63 . 1 1 35 35 THR H H 1 8.490 0.01 . 1 . . . . 35 THR H . 15481 1 64 . 1 1 35 35 THR N N 15 116.909 0.1 . 1 . . . . 35 THR N . 15481 1 65 . 1 1 36 36 VAL H H 1 9.114 0.01 . 1 . . . . 36 VAL H . 15481 1 66 . 1 1 36 36 VAL N N 15 131.270 0.1 . 1 . . . . 36 VAL N . 15481 1 67 . 1 1 37 37 SER H H 1 8.796 0.01 . 1 . . . . 37 SER H . 15481 1 68 . 1 1 37 37 SER N N 15 120.876 0.1 . 1 . . . . 37 SER N . 15481 1 69 . 1 1 38 38 TYR H H 1 8.748 0.01 . 1 . . . . 38 TYR H . 15481 1 70 . 1 1 38 38 TYR N N 15 119.743 0.1 . 1 . . . . 38 TYR N . 15481 1 71 . 1 1 39 39 PHE H H 1 9.796 0.01 . 1 . . . . 39 PHE H . 15481 1 72 . 1 1 39 39 PHE N N 15 120.964 0.1 . 1 . . . . 39 PHE N . 15481 1 73 . 1 1 40 40 TYR H H 1 9.158 0.01 . 1 . . . . 40 TYR H . 15481 1 74 . 1 1 40 40 TYR N N 15 121.675 0.1 . 1 . . . . 40 TYR N . 15481 1 75 . 1 1 41 41 ASP H H 1 8.406 0.01 . 1 . . . . 41 ASP H . 15481 1 76 . 1 1 41 41 ASP N N 15 128.859 0.1 . 1 . . . . 41 ASP N . 15481 1 77 . 1 1 42 42 ALA H H 1 8.346 0.01 . 1 . . . . 42 ALA H . 15481 1 78 . 1 1 42 42 ALA N N 15 127.160 0.1 . 1 . . . . 42 ALA N . 15481 1 79 . 1 1 43 43 THR H H 1 8.171 0.01 . 1 . . . . 43 THR H . 15481 1 80 . 1 1 43 43 THR N N 15 113.215 0.1 . 1 . . . . 43 THR N . 15481 1 81 . 1 1 44 44 ARG H H 1 7.089 0.01 . 1 . . . . 44 ARG H . 15481 1 82 . 1 1 44 44 ARG N N 15 118.574 0.1 . 1 . . . . 44 ARG N . 15481 1 83 . 1 1 45 45 ASN H H 1 8.035 0.01 . 1 . . . . 45 ASN H . 15481 1 84 . 1 1 45 45 ASN N N 15 118.750 0.1 . 1 . . . . 45 ASN N . 15481 1 85 . 1 1 46 46 VAL H H 1 7.071 0.01 . 1 . . . . 46 VAL H . 15481 1 86 . 1 1 46 46 VAL N N 15 110.693 0.1 . 1 . . . . 46 VAL N . 15481 1 87 . 1 1 47 47 TYR H H 1 9.570 0.01 . 1 . . . . 47 TYR H . 15481 1 88 . 1 1 47 47 TYR N N 15 122.857 0.1 . 1 . . . . 47 TYR N . 15481 1 89 . 1 1 48 48 ARG H H 1 9.199 0.01 . 1 . . . . 48 ARG H . 15481 1 90 . 1 1 48 48 ARG N N 15 118.795 0.1 . 1 . . . . 48 ARG N . 15481 1 91 . 1 1 49 49 ILE H H 1 9.103 0.01 . 1 . . . . 49 ILE H . 15481 1 92 . 1 1 49 49 ILE N N 15 122.929 0.1 . 1 . . . . 49 ILE N . 15481 1 93 . 1 1 50 50 ILE H H 1 9.095 0.01 . 1 . . . . 50 ILE H . 15481 1 94 . 1 1 50 50 ILE N N 15 124.905 0.1 . 1 . . . . 50 ILE N . 15481 1 95 . 1 1 51 51 SER H H 1 8.528 0.01 . 1 . . . . 51 SER H . 15481 1 96 . 1 1 51 51 SER N N 15 120.673 0.1 . 1 . . . . 51 SER N . 15481 1 97 . 1 1 52 52 ILE H H 1 9.188 0.01 . 1 . . . . 52 ILE H . 15481 1 98 . 1 1 52 52 ILE N N 15 128.275 0.1 . 1 . . . . 52 ILE N . 15481 1 99 . 1 1 53 53 GLY H H 1 8.613 0.01 . 1 . . . . 53 GLY H . 15481 1 100 . 1 1 53 53 GLY N N 15 114.671 0.1 . 1 . . . . 53 GLY N . 15481 1 101 . 1 1 54 54 GLY H H 1 8.673 0.01 . 1 . . . . 54 GLY H . 15481 1 102 . 1 1 54 54 GLY N N 15 113.388 0.1 . 1 . . . . 54 GLY N . 15481 1 103 . 1 1 55 55 ALA H H 1 8.674 0.01 . 1 . . . . 55 ALA H . 15481 1 104 . 1 1 55 55 ALA N N 15 123.916 0.1 . 1 . . . . 55 ALA N . 15481 1 105 . 1 1 56 56 LYS H H 1 7.762 0.01 . 1 . . . . 56 LYS H . 15481 1 106 . 1 1 56 56 LYS N N 15 117.378 0.1 . 1 . . . . 56 LYS N . 15481 1 107 . 1 1 57 57 ALA H H 1 8.580 0.01 . 1 . . . . 57 ALA H . 15481 1 108 . 1 1 57 57 ALA N N 15 125.598 0.1 . 1 . . . . 57 ALA N . 15481 1 109 . 1 1 58 58 ILE H H 1 8.338 0.01 . 1 . . . . 58 ILE H . 15481 1 110 . 1 1 58 58 ILE N N 15 125.492 0.1 . 1 . . . . 58 ILE N . 15481 1 111 . 1 1 59 59 ILE H H 1 7.770 0.01 . 1 . . . . 59 ILE H . 15481 1 112 . 1 1 59 59 ILE N N 15 116.695 0.1 . 1 . . . . 59 ILE N . 15481 1 113 . 1 1 60 60 ASN H H 1 7.838 0.01 . 1 . . . . 60 ASN H . 15481 1 114 . 1 1 60 60 ASN N N 15 125.298 0.1 . 1 . . . . 60 ASN N . 15481 1 115 . 1 1 61 61 SER H H 1 9.041 0.01 . 1 . . . . 61 SER H . 15481 1 116 . 1 1 61 61 SER N N 15 118.959 0.1 . 1 . . . . 61 SER N . 15481 1 117 . 1 1 62 62 THR H H 1 9.121 0.01 . 1 . . . . 62 THR H . 15481 1 118 . 1 1 62 62 THR N N 15 126.262 0.1 . 1 . . . . 62 THR N . 15481 1 119 . 1 1 63 63 VAL H H 1 8.667 0.01 . 1 . . . . 63 VAL H . 15481 1 120 . 1 1 63 63 VAL N N 15 127.936 0.1 . 1 . . . . 63 VAL N . 15481 1 121 . 1 1 64 64 THR H H 1 7.974 0.01 . 1 . . . . 64 THR H . 15481 1 122 . 1 1 64 64 THR N N 15 119.434 0.1 . 1 . . . . 64 THR N . 15481 1 123 . 1 1 66 66 ASN H H 1 7.985 0.01 . 1 . . . . 66 ASN H . 15481 1 124 . 1 1 66 66 ASN N N 15 111.553 0.1 . 1 . . . . 66 ASN N . 15481 1 125 . 1 1 67 67 MET H H 1 7.570 0.01 . 1 . . . . 67 MET H . 15481 1 126 . 1 1 67 67 MET N N 15 121.580 0.1 . 1 . . . . 67 MET N . 15481 1 127 . 1 1 68 68 THR H H 1 8.811 0.01 . 1 . . . . 68 THR H . 15481 1 128 . 1 1 68 68 THR N N 15 115.704 0.1 . 1 . . . . 68 THR N . 15481 1 129 . 1 1 69 69 PHE H H 1 8.600 0.01 . 1 . . . . 69 PHE H . 15481 1 130 . 1 1 69 69 PHE N N 15 128.954 0.1 . 1 . . . . 69 PHE N . 15481 1 131 . 1 1 70 70 THR H H 1 8.814 0.01 . 1 . . . . 70 THR H . 15481 1 132 . 1 1 70 70 THR N N 15 124.844 0.1 . 1 . . . . 70 THR N . 15481 1 133 . 1 1 71 71 LYS H H 1 8.795 0.01 . 1 . . . . 71 LYS H . 15481 1 134 . 1 1 71 71 LYS N N 15 127.001 0.1 . 1 . . . . 71 LYS N . 15481 1 135 . 1 1 72 72 THR H H 1 8.677 0.01 . 1 . . . . 72 THR H . 15481 1 136 . 1 1 72 72 THR N N 15 120.797 0.1 . 1 . . . . 72 THR N . 15481 1 137 . 1 1 73 73 SER H H 1 8.547 0.01 . 1 . . . . 73 SER H . 15481 1 138 . 1 1 73 73 SER N N 15 116.341 0.1 . 1 . . . . 73 SER N . 15481 1 139 . 1 1 74 74 GLN H H 1 8.145 0.01 . 1 . . . . 74 GLN H . 15481 1 140 . 1 1 74 74 GLN N N 15 120.601 0.1 . 1 . . . . 74 GLN N . 15481 1 141 . 1 1 75 75 LYS H H 1 7.815 0.01 . 1 . . . . 75 LYS H . 15481 1 142 . 1 1 75 75 LYS N N 15 118.324 0.1 . 1 . . . . 75 LYS N . 15481 1 143 . 1 1 76 76 PHE H H 1 7.537 0.01 . 1 . . . . 76 PHE H . 15481 1 144 . 1 1 76 76 PHE N N 15 124.053 0.1 . 1 . . . . 76 PHE N . 15481 1 145 . 1 1 77 77 GLY H H 1 8.110 0.01 . 1 . . . . 77 GLY H . 15481 1 146 . 1 1 77 77 GLY N N 15 112.721 0.1 . 1 . . . . 77 GLY N . 15481 1 147 . 1 1 78 78 GLN H H 1 8.078 0.01 . 1 . . . . 78 GLN H . 15481 1 148 . 1 1 78 78 GLN N N 15 113.595 0.1 . 1 . . . . 78 GLN N . 15481 1 149 . 1 1 79 79 TRP H H 1 9.050 0.01 . 1 . . . . 79 TRP H . 15481 1 150 . 1 1 79 79 TRP HE1 H 1 10.143 0.01 . 1 . . . . 79 TRP HE1 . 15481 1 151 . 1 1 79 79 TRP N N 15 119.657 0.1 . 1 . . . . 79 TRP N . 15481 1 152 . 1 1 79 79 TRP NE1 N 15 126.519 0.1 . 1 . . . . 79 TRP NE1 . 15481 1 153 . 1 1 80 80 ALA H H 1 8.677 0.01 . 1 . . . . 80 ALA H . 15481 1 154 . 1 1 80 80 ALA N N 15 123.040 0.1 . 1 . . . . 80 ALA N . 15481 1 155 . 1 1 81 81 ASP H H 1 8.409 0.01 . 1 . . . . 81 ASP H . 15481 1 156 . 1 1 81 81 ASP N N 15 121.936 0.1 . 1 . . . . 81 ASP N . 15481 1 157 . 1 1 82 82 SER H H 1 9.051 0.01 . 1 . . . . 82 SER H . 15481 1 158 . 1 1 82 82 SER N N 15 121.325 0.1 . 1 . . . . 82 SER N . 15481 1 159 . 1 1 83 83 ARG H H 1 8.451 0.01 . 1 . . . . 83 ARG H . 15481 1 160 . 1 1 83 83 ARG N N 15 124.090 0.1 . 1 . . . . 83 ARG N . 15481 1 161 . 1 1 84 84 ALA H H 1 7.956 0.01 . 1 . . . . 84 ALA H . 15481 1 162 . 1 1 84 84 ALA N N 15 120.664 0.1 . 1 . . . . 84 ALA N . 15481 1 163 . 1 1 85 85 ASN H H 1 7.982 0.01 . 1 . . . . 85 ASN H . 15481 1 164 . 1 1 85 85 ASN N N 15 116.586 0.1 . 1 . . . . 85 ASN N . 15481 1 165 . 1 1 86 86 THR H H 1 7.727 0.01 . 1 . . . . 86 THR H . 15481 1 166 . 1 1 86 86 THR N N 15 110.204 0.1 . 1 . . . . 86 THR N . 15481 1 167 . 1 1 87 87 VAL H H 1 7.880 0.01 . 1 . . . . 87 VAL H . 15481 1 168 . 1 1 87 87 VAL N N 15 124.080 0.1 . 1 . . . . 87 VAL N . 15481 1 169 . 1 1 88 88 TYR H H 1 8.379 0.01 . 1 . . . . 88 TYR H . 15481 1 170 . 1 1 88 88 TYR N N 15 125.533 0.1 . 1 . . . . 88 TYR N . 15481 1 171 . 1 1 89 89 GLY H H 1 8.612 0.01 . 1 . . . . 89 GLY H . 15481 1 172 . 1 1 89 89 GLY N N 15 108.328 0.1 . 1 . . . . 89 GLY N . 15481 1 173 . 1 1 90 90 LEU H H 1 8.285 0.01 . 1 . . . . 90 LEU H . 15481 1 174 . 1 1 90 90 LEU N N 15 121.912 0.1 . 1 . . . . 90 LEU N . 15481 1 175 . 1 1 91 91 GLY H H 1 9.251 0.01 . 1 . . . . 91 GLY H . 15481 1 176 . 1 1 91 91 GLY N N 15 106.558 0.1 . 1 . . . . 91 GLY N . 15481 1 177 . 1 1 92 92 PHE H H 1 9.313 0.01 . 1 . . . . 92 PHE H . 15481 1 178 . 1 1 92 92 PHE N N 15 124.349 0.1 . 1 . . . . 92 PHE N . 15481 1 179 . 1 1 93 93 ALA H H 1 9.808 0.01 . 1 . . . . 93 ALA H . 15481 1 180 . 1 1 93 93 ALA N N 15 121.497 0.1 . 1 . . . . 93 ALA N . 15481 1 181 . 1 1 94 94 SER H H 1 7.568 0.01 . 1 . . . . 94 SER H . 15481 1 182 . 1 1 94 94 SER N N 15 107.464 0.1 . 1 . . . . 94 SER N . 15481 1 183 . 1 1 95 95 GLU H H 1 9.622 0.01 . 1 . . . . 95 GLU H . 15481 1 184 . 1 1 95 95 GLU N N 15 124.842 0.1 . 1 . . . . 95 GLU N . 15481 1 185 . 1 1 96 96 GLN H H 1 8.461 0.01 . 1 . . . . 96 GLN H . 15481 1 186 . 1 1 96 96 GLN N N 15 119.791 0.1 . 1 . . . . 96 GLN N . 15481 1 187 . 1 1 97 97 HIS H H 1 7.796 0.01 . 1 . . . . 97 HIS H . 15481 1 188 . 1 1 97 97 HIS N N 15 118.476 0.1 . 1 . . . . 97 HIS N . 15481 1 189 . 1 1 98 98 LEU H H 1 7.174 0.01 . 1 . . . . 98 LEU H . 15481 1 190 . 1 1 98 98 LEU N N 15 122.561 0.1 . 1 . . . . 98 LEU N . 15481 1 191 . 1 1 99 99 THR H H 1 8.557 0.01 . 1 . . . . 99 THR H . 15481 1 192 . 1 1 99 99 THR N N 15 117.203 0.1 . 1 . . . . 99 THR N . 15481 1 193 . 1 1 100 100 GLN H H 1 8.222 0.01 . 1 . . . . 100 GLN H . 15481 1 194 . 1 1 100 100 GLN N N 15 119.775 0.1 . 1 . . . . 100 GLN N . 15481 1 195 . 1 1 101 101 PHE H H 1 7.876 0.01 . 1 . . . . 101 PHE H . 15481 1 196 . 1 1 101 101 PHE N N 15 120.855 0.1 . 1 . . . . 101 PHE N . 15481 1 197 . 1 1 102 102 ALA H H 1 8.727 0.01 . 1 . . . . 102 ALA H . 15481 1 198 . 1 1 102 102 ALA N N 15 122.462 0.1 . 1 . . . . 102 ALA N . 15481 1 199 . 1 1 103 103 GLU H H 1 8.456 0.01 . 1 . . . . 103 GLU H . 15481 1 200 . 1 1 103 103 GLU N N 15 119.444 0.1 . 1 . . . . 103 GLU N . 15481 1 201 . 1 1 104 104 LYS H H 1 7.263 0.01 . 1 . . . . 104 LYS H . 15481 1 202 . 1 1 104 104 LYS N N 15 121.075 0.1 . 1 . . . . 104 LYS N . 15481 1 203 . 1 1 105 105 PHE H H 1 7.888 0.01 . 1 . . . . 105 PHE H . 15481 1 204 . 1 1 105 105 PHE N N 15 122.148 0.1 . 1 . . . . 105 PHE N . 15481 1 205 . 1 1 106 106 GLN H H 1 7.591 0.01 . 1 . . . . 106 GLN H . 15481 1 206 . 1 1 106 106 GLN N N 15 115.982 0.1 . 1 . . . . 106 GLN N . 15481 1 207 . 1 1 107 107 GLU H H 1 7.658 0.01 . 1 . . . . 107 GLU H . 15481 1 208 . 1 1 107 107 GLU N N 15 119.976 0.1 . 1 . . . . 107 GLU N . 15481 1 209 . 1 1 108 108 VAL H H 1 8.254 0.01 . 1 . . . . 108 VAL H . 15481 1 210 . 1 1 108 108 VAL N N 15 118.099 0.1 . 1 . . . . 108 VAL N . 15481 1 211 . 1 1 109 109 LYS H H 1 8.200 0.01 . 1 . . . . 109 LYS H . 15481 1 212 . 1 1 109 109 LYS N N 15 122.942 0.1 . 1 . . . . 109 LYS N . 15481 1 213 . 1 1 110 110 GLU H H 1 7.653 0.01 . 1 . . . . 110 GLU H . 15481 1 214 . 1 1 110 110 GLU N N 15 118.740 0.1 . 1 . . . . 110 GLU N . 15481 1 215 . 1 1 111 111 ALA H H 1 7.803 0.01 . 1 . . . . 111 ALA H . 15481 1 216 . 1 1 111 111 ALA N N 15 123.275 0.1 . 1 . . . . 111 ALA N . 15481 1 217 . 1 1 112 112 ALA H H 1 8.452 0.01 . 1 . . . . 112 ALA H . 15481 1 218 . 1 1 112 112 ALA N N 15 121.705 0.1 . 1 . . . . 112 ALA N . 15481 1 219 . 1 1 113 113 ARG H H 1 8.095 0.01 . 1 . . . . 113 ARG H . 15481 1 220 . 1 1 113 113 ARG N N 15 120.781 0.1 . 1 . . . . 113 ARG N . 15481 1 221 . 1 1 114 114 LEU H H 1 8.106 0.01 . 1 . . . . 114 LEU H . 15481 1 222 . 1 1 114 114 LEU N N 15 119.926 0.1 . 1 . . . . 114 LEU N . 15481 1 223 . 1 1 115 115 ALA H H 1 7.956 0.01 . 1 . . . . 115 ALA H . 15481 1 224 . 1 1 115 115 ALA N N 15 121.676 0.1 . 1 . . . . 115 ALA N . 15481 1 225 . 1 1 116 116 ARG H H 1 8.387 0.01 . 1 . . . . 116 ARG H . 15481 1 226 . 1 1 116 116 ARG N N 15 122.406 0.1 . 1 . . . . 116 ARG N . 15481 1 227 . 1 1 117 117 GLU H H 1 8.025 0.01 . 1 . . . . 117 GLU H . 15481 1 228 . 1 1 117 117 GLU N N 15 127.168 0.1 . 1 . . . . 117 GLU N . 15481 1 stop_ save_