################################### # 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_starch_output _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode starch_output _Assigned_chem_shift_list.Entry_ID 36362 _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 0.02 _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-1H TOCSY' 1 $sample_1 isotropic 36362 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36362 1 3 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36362 1 4 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 36362 1 5 '3D 1H-15N NOESY' 2 $sample_2 isotropic 36362 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 2 2 GLU H H 1 8.645 0.001 . 1 . . . . A 2 GLU H . 36362 1 2 . 1 . 1 2 2 GLU HA H 1 4.406 0 . 1 . . . . A 2 GLU HA . 36362 1 3 . 1 . 1 2 2 GLU HB2 H 1 2.076 0 . . . . . . A 2 GLU HB2 . 36362 1 4 . 1 . 1 2 2 GLU HB3 H 1 1.964 0 . . . . . . A 2 GLU HB3 . 36362 1 5 . 1 . 1 2 2 GLU HG2 H 1 2.445 0 . . . . . . A 2 GLU HG2 . 36362 1 6 . 1 . 1 2 2 GLU HG3 H 1 2.445 0 . . . . . . A 2 GLU HG3 . 36362 1 7 . 1 . 1 3 3 ASP H H 1 8.709 0.001 . 1 . . . . A 3 ASP H . 36362 1 8 . 1 . 1 3 3 ASP HA H 1 4.721 0 . 1 . . . . A 3 ASP HA . 36362 1 9 . 1 . 1 3 3 ASP HB2 H 1 2.898 0 . . . . . . A 3 ASP HB2 . 36362 1 10 . 1 . 1 3 3 ASP HB3 H 1 2.771 0 . . . . . . A 3 ASP HB3 . 36362 1 11 . 1 . 1 4 4 ILE H H 1 8.178 0.002 . 1 . . . . A 4 ILE H . 36362 1 12 . 1 . 1 4 4 ILE HA H 1 4.142 0 . 1 . . . . A 4 ILE HA . 36362 1 13 . 1 . 1 4 4 ILE HB H 1 1.876 0 . 1 . . . . A 4 ILE HB . 36362 1 14 . 1 . 1 4 4 ILE HG21 H 1 1.172 0 . 1 . . . . A 4 ILE HG21 . 36362 1 15 . 1 . 1 4 4 ILE HG22 H 1 1.172 0 . 1 . . . . A 4 ILE HG22 . 36362 1 16 . 1 . 1 4 4 ILE HG23 H 1 1.172 0 . 1 . . . . A 4 ILE HG23 . 36362 1 17 . 1 . 1 4 4 ILE HG12 H 1 1.483 0 . . . . . . A 4 ILE HG12 . 36362 1 18 . 1 . 1 4 4 ILE HG13 H 1 1.483 0 . . . . . . A 4 ILE HG13 . 36362 1 19 . 1 . 1 4 4 ILE HD11 H 1 0.861 0 . 1 . . . . A 4 ILE HD11 . 36362 1 20 . 1 . 1 4 4 ILE HD12 H 1 0.861 0 . 1 . . . . A 4 ILE HD12 . 36362 1 21 . 1 . 1 4 4 ILE HD13 H 1 0.861 0 . 1 . . . . A 4 ILE HD13 . 36362 1 22 . 1 . 1 5 5 GLY H H 1 8.416 0.001 . 1 . . . . A 5 GLY H . 36362 1 23 . 1 . 1 5 5 GLY HA2 H 1 3.888 0 . . . . . . A 5 GLY HA2 . 36362 1 24 . 1 . 1 5 5 GLY HA3 H 1 3.888 0 . . . . . . A 5 GLY HA3 . 36362 1 25 . 1 . 1 6 6 HIS H H 1 8.312 0.002 . 1 . . . . A 6 HIS H . 36362 1 26 . 1 . 1 6 6 HIS HA H 1 4.695 0 . 1 . . . . A 6 HIS HA . 36362 1 27 . 1 . 1 6 6 HIS HB2 H 1 3.247 0 . . . . . . A 6 HIS HB2 . 36362 1 28 . 1 . 1 6 6 HIS HB3 H 1 3.114 0.001 . . . . . . A 6 HIS HB3 . 36362 1 29 . 1 . 1 6 6 HIS HD2 H 1 7.239 0 . 1 . . . . A 6 HIS HD2 . 36362 1 30 . 1 . 1 7 7 ILE H H 1 8.119 0.001 . 1 . . . . A 7 ILE H . 36362 1 31 . 1 . 1 7 7 ILE HA H 1 4.085 0 . 1 . . . . A 7 ILE HA . 36362 1 32 . 1 . 1 7 7 ILE HB H 1 1.763 0 . 1 . . . . A 7 ILE HB . 36362 1 33 . 1 . 1 7 7 ILE HG21 H 1 0.762 0 . 1 . . . . A 7 ILE HG21 . 36362 1 34 . 1 . 1 7 7 ILE HG22 H 1 0.762 0 . 1 . . . . A 7 ILE HG22 . 36362 1 35 . 1 . 1 7 7 ILE HG23 H 1 0.762 0 . 1 . . . . A 7 ILE HG23 . 36362 1 36 . 1 . 1 7 7 ILE HG12 H 1 1.409 0 . . . . . . A 7 ILE HG12 . 36362 1 37 . 1 . 1 7 7 ILE HG13 H 1 1.409 0 . . . . . . A 7 ILE HG13 . 36362 1 38 . 1 . 1 7 7 ILE HD11 H 1 1.103 0 . 1 . . . . A 7 ILE HD11 . 36362 1 39 . 1 . 1 7 7 ILE HD12 H 1 1.103 0 . 1 . . . . A 7 ILE HD12 . 36362 1 40 . 1 . 1 7 7 ILE HD13 H 1 1.103 0 . 1 . . . . A 7 ILE HD13 . 36362 1 41 . 1 . 1 8 8 LYS H H 1 8.388 0.002 . 1 . . . . A 8 LYS H . 36362 1 42 . 1 . 1 8 8 LYS HA H 1 4.276 0 . 1 . . . . A 8 LYS HA . 36362 1 43 . 1 . 1 8 8 LYS HB2 H 1 1.692 0.015 . . . . . . A 8 LYS HB2 . 36362 1 44 . 1 . 1 8 8 LYS HB3 H 1 1.692 0.015 . . . . . . A 8 LYS HB3 . 36362 1 45 . 1 . 1 8 8 LYS HG2 H 1 1.288 0 . . . . . . A 8 LYS HG2 . 36362 1 46 . 1 . 1 8 8 LYS HG3 H 1 1.288 0 . . . . . . A 8 LYS HG3 . 36362 1 47 . 1 . 1 8 8 LYS HD2 H 1 1.381 0 . . . . . . A 8 LYS HD2 . 36362 1 48 . 1 . 1 8 8 LYS HD3 H 1 1.381 0 . . . . . . A 8 LYS HD3 . 36362 1 49 . 1 . 1 8 8 LYS HE2 H 1 2.933 0 . . . . . . A 8 LYS HE2 . 36362 1 50 . 1 . 1 8 8 LYS HE3 H 1 2.933 0 . . . . . . A 8 LYS HE3 . 36362 1 51 . 1 . 1 9 9 TYR H H 1 8.265 0 . 1 . . . . A 9 TYR H . 36362 1 52 . 1 . 1 9 9 TYR HA H 1 4.56 0 . 1 . . . . A 9 TYR HA . 36362 1 53 . 1 . 1 9 9 TYR HB2 H 1 2.968 0 . . . . . . A 9 TYR HB2 . 36362 1 54 . 1 . 1 9 9 TYR HB3 H 1 2.968 0 . . . . . . A 9 TYR HB3 . 36362 1 55 . 1 . 1 9 9 TYR HD1 H 1 7.088 0.001 . . . . . . A 9 TYR HD1 . 36362 1 56 . 1 . 1 9 9 TYR HD2 H 1 7.088 0.001 . . . . . . A 9 TYR HD2 . 36362 1 57 . 1 . 1 9 9 TYR HE1 H 1 6.788 0 . . . . . . A 9 TYR HE1 . 36362 1 58 . 1 . 1 9 9 TYR HE2 H 1 6.788 0 . . . . . . A 9 TYR HE2 . 36362 1 59 . 1 . 1 10 10 CYS H H 1 8.463 0 . 1 . . . . A 10 CYS H . 36362 1 60 . 1 . 1 10 10 CYS HA H 1 4.595 0 . 1 . . . . A 10 CYS HA . 36362 1 61 . 1 . 1 10 10 CYS HB2 H 1 3.104 0 . . . . . . A 10 CYS HB2 . 36362 1 62 . 1 . 1 10 10 CYS HB3 H 1 2.961 0 . . . . . . A 10 CYS HB3 . 36362 1 63 . 1 . 1 11 11 GLY H H 1 7.918 0.001 . 1 . . . . A 11 GLY H . 36362 1 64 . 1 . 1 11 11 GLY HA2 H 1 3.965 0 . . . . . . A 11 GLY HA2 . 36362 1 65 . 1 . 1 11 11 GLY HA3 H 1 3.965 0 . . . . . . A 11 GLY HA3 . 36362 1 66 . 1 . 1 12 12 ILE H H 1 7.959 0.002 . 1 . . . . A 12 ILE H . 36362 1 67 . 1 . 1 12 12 ILE HA H 1 4.043 0 . 1 . . . . A 12 ILE HA . 36362 1 68 . 1 . 1 12 12 ILE HB H 1 1.883 0 . 1 . . . . A 12 ILE HB . 36362 1 69 . 1 . 1 12 12 ILE HG21 H 1 1.191 0 . 1 . . . . A 12 ILE HG21 . 36362 1 70 . 1 . 1 12 12 ILE HG22 H 1 1.191 0 . 1 . . . . A 12 ILE HG22 . 36362 1 71 . 1 . 1 12 12 ILE HG23 H 1 1.191 0 . 1 . . . . A 12 ILE HG23 . 36362 1 72 . 1 . 1 12 12 ILE HG12 H 1 1.447 0 . . . . . . A 12 ILE HG12 . 36362 1 73 . 1 . 1 12 12 ILE HG13 H 1 1.447 0 . . . . . . A 12 ILE HG13 . 36362 1 74 . 1 . 1 12 12 ILE HD11 H 1 0.905 0 . 1 . . . . A 12 ILE HD11 . 36362 1 75 . 1 . 1 12 12 ILE HD12 H 1 0.905 0 . 1 . . . . A 12 ILE HD12 . 36362 1 76 . 1 . 1 12 12 ILE HD13 H 1 0.905 0 . 1 . . . . A 12 ILE HD13 . 36362 1 77 . 1 . 1 13 13 VAL H H 1 7.741 0 . 1 . . . . A 13 VAL H . 36362 1 78 . 1 . 1 13 13 VAL HA H 1 4.049 0 . 1 . . . . A 13 VAL HA . 36362 1 79 . 1 . 1 13 13 VAL HB H 1 2.158 0 . 1 . . . . A 13 VAL HB . 36362 1 80 . 1 . 1 13 13 VAL HG11 H 1 0.901 0 . . . . . . A 13 VAL HG11 . 36362 1 81 . 1 . 1 13 13 VAL HG12 H 1 0.901 0 . . . . . . A 13 VAL HG12 . 36362 1 82 . 1 . 1 13 13 VAL HG13 H 1 0.901 0 . . . . . . A 13 VAL HG13 . 36362 1 83 . 1 . 1 13 13 VAL HG21 H 1 0.901 0 . . . . . . A 13 VAL HG21 . 36362 1 84 . 1 . 1 13 13 VAL HG22 H 1 0.901 0 . . . . . . A 13 VAL HG22 . 36362 1 85 . 1 . 1 13 13 VAL HG23 H 1 0.901 0 . . . . . . A 13 VAL HG23 . 36362 1 86 . 1 . 1 14 14 ASP H H 1 8.127 0.002 . 1 . . . . A 14 ASP H . 36362 1 87 . 1 . 1 14 14 ASP HA H 1 4.609 0 . 1 . . . . A 14 ASP HA . 36362 1 88 . 1 . 1 14 14 ASP HB2 H 1 3.03 0 . . . . . . A 14 ASP HB2 . 36362 1 89 . 1 . 1 14 14 ASP HB3 H 1 2.889 0 . . . . . . A 14 ASP HB3 . 36362 1 90 . 1 . 1 15 15 ASP H H 1 8.292 0.002 . 1 . . . . A 15 ASP H . 36362 1 91 . 1 . 1 15 15 ASP HA H 1 4.741 0 . 1 . . . . A 15 ASP HA . 36362 1 92 . 1 . 1 15 15 ASP HB2 H 1 2.861 0 . . . . . . A 15 ASP HB2 . 36362 1 93 . 1 . 1 15 15 ASP HB3 H 1 2.861 0 . . . . . . A 15 ASP HB3 . 36362 1 94 . 1 . 1 16 16 CYS H H 1 8.212 0.004 . 1 . . . . A 16 CYS H . 36362 1 95 . 1 . 1 16 16 CYS HA H 1 4.454 0 . 1 . . . . A 16 CYS HA . 36362 1 96 . 1 . 1 16 16 CYS HB2 H 1 3.098 0 . . . . . . A 16 CYS HB2 . 36362 1 97 . 1 . 1 16 16 CYS HB3 H 1 2.941 0 . . . . . . A 16 CYS HB3 . 36362 1 98 . 1 . 1 17 17 TYR H H 1 8.065 0.003 . 1 . . . . A 17 TYR H . 36362 1 99 . 1 . 1 17 17 TYR HA H 1 4.469 0 . 1 . . . . A 17 TYR HA . 36362 1 100 . 1 . 1 17 17 TYR HB2 H 1 3.025 0.004 . . . . . . A 17 TYR HB2 . 36362 1 101 . 1 . 1 17 17 TYR HB3 H 1 2.947 0 . . . . . . A 17 TYR HB3 . 36362 1 102 . 1 . 1 17 17 TYR HD1 H 1 7.058 0.002 . . . . . . A 17 TYR HD1 . 36362 1 103 . 1 . 1 17 17 TYR HD2 H 1 7.058 0.002 . . . . . . A 17 TYR HD2 . 36362 1 104 . 1 . 1 17 17 TYR HE1 H 1 6.798 0.002 . . . . . . A 17 TYR HE1 . 36362 1 105 . 1 . 1 17 17 TYR HE2 H 1 6.798 0.002 . . . . . . A 17 TYR HE2 . 36362 1 106 . 1 . 1 18 18 LYS H H 1 8.005 0.001 . 1 . . . . A 18 LYS H . 36362 1 107 . 1 . 1 18 18 LYS HA H 1 4.25 0 . 1 . . . . A 18 LYS HA . 36362 1 108 . 1 . 1 18 18 LYS HB2 H 1 1.781 0 . . . . . . A 18 LYS HB2 . 36362 1 109 . 1 . 1 18 18 LYS HB3 H 1 1.781 0 . . . . . . A 18 LYS HB3 . 36362 1 110 . 1 . 1 18 18 LYS HG2 H 1 1.324 0 . . . . . . A 18 LYS HG2 . 36362 1 111 . 1 . 1 18 18 LYS HG3 H 1 1.324 0 . . . . . . A 18 LYS HG3 . 36362 1 112 . 1 . 1 18 18 LYS HD2 H 1 1.673 0 . . . . . . A 18 LYS HD2 . 36362 1 113 . 1 . 1 18 18 LYS HD3 H 1 1.673 0 . . . . . . A 18 LYS HD3 . 36362 1 114 . 1 . 1 18 18 LYS HE2 H 1 2.964 0 . . . . . . A 18 LYS HE2 . 36362 1 115 . 1 . 1 18 18 LYS HE3 H 1 2.964 0 . . . . . . A 18 LYS HE3 . 36362 1 116 . 1 . 1 19 19 SER H H 1 8.091 0.001 . 1 . . . . A 19 SER H . 36362 1 117 . 1 . 1 19 19 SER HA H 1 4.363 0 . 1 . . . . A 19 SER HA . 36362 1 118 . 1 . 1 19 19 SER HB2 H 1 3.833 0 . . . . . . A 19 SER HB2 . 36362 1 119 . 1 . 1 19 19 SER HB3 H 1 3.833 0 . . . . . . A 19 SER HB3 . 36362 1 120 . 1 . 1 20 20 LYS H H 1 8.327 0.002 . 1 . . . . A 20 LYS H . 36362 1 121 . 1 . 1 20 20 LYS HA H 1 4.302 0 . 1 . . . . A 20 LYS HA . 36362 1 122 . 1 . 1 20 20 LYS HB2 H 1 1.809 0 . . . . . . A 20 LYS HB2 . 36362 1 123 . 1 . 1 20 20 LYS HB3 H 1 1.809 0 . . . . . . A 20 LYS HB3 . 36362 1 124 . 1 . 1 20 20 LYS HG2 H 1 1.407 0 . . . . . . A 20 LYS HG2 . 36362 1 125 . 1 . 1 20 20 LYS HG3 H 1 1.407 0 . . . . . . A 20 LYS HG3 . 36362 1 126 . 1 . 1 20 20 LYS HD2 H 1 1.708 0 . . . . . . A 20 LYS HD2 . 36362 1 127 . 1 . 1 20 20 LYS HD3 H 1 1.629 0 . . . . . . A 20 LYS HD3 . 36362 1 128 . 1 . 1 20 20 LYS HE2 H 1 2.958 0 . . . . . . A 20 LYS HE2 . 36362 1 129 . 1 . 1 20 20 LYS HE3 H 1 2.958 0 . . . . . . A 20 LYS HE3 . 36362 1 130 . 1 . 1 21 21 LYS H H 1 8.194 0.001 . 1 . . . . A 21 LYS H . 36362 1 131 . 1 . 1 21 21 LYS HA H 1 4.538 0 . 1 . . . . A 21 LYS HA . 36362 1 132 . 1 . 1 21 21 LYS HB2 H 1 1.783 0 . . . . . . A 21 LYS HB2 . 36362 1 133 . 1 . 1 21 21 LYS HB3 H 1 1.783 0 . . . . . . A 21 LYS HB3 . 36362 1 134 . 1 . 1 21 21 LYS HG2 H 1 1.434 0 . . . . . . A 21 LYS HG2 . 36362 1 135 . 1 . 1 21 21 LYS HG3 H 1 1.434 0 . . . . . . A 21 LYS HG3 . 36362 1 136 . 1 . 1 21 21 LYS HD2 H 1 1.669 0 . . . . . . A 21 LYS HD2 . 36362 1 137 . 1 . 1 21 21 LYS HD3 H 1 1.669 0 . . . . . . A 21 LYS HD3 . 36362 1 138 . 1 . 1 21 21 LYS HE2 H 1 2.922 0 . . . . . . A 21 LYS HE2 . 36362 1 139 . 1 . 1 21 21 LYS HE3 H 1 2.922 0 . . . . . . A 21 LYS HE3 . 36362 1 140 . 1 . 1 22 22 PRO HA H 1 4.346 0 . 1 . . . . A 22 PRO HA . 36362 1 141 . 1 . 1 22 22 PRO HB2 H 1 2.156 0 . . . . . . A 22 PRO HB2 . 36362 1 142 . 1 . 1 22 22 PRO HB3 H 1 2.156 0 . . . . . . A 22 PRO HB3 . 36362 1 143 . 1 . 1 22 22 PRO HG2 H 1 1.947 0 . . . . . . A 22 PRO HG2 . 36362 1 144 . 1 . 1 22 22 PRO HG3 H 1 1.761 0 . . . . . . A 22 PRO HG3 . 36362 1 145 . 1 . 1 22 22 PRO HD2 H 1 3.763 0.001 . . . . . . A 22 PRO HD2 . 36362 1 146 . 1 . 1 22 22 PRO HD3 H 1 3.566 0 . . . . . . A 22 PRO HD3 . 36362 1 147 . 1 . 1 23 23 LEU H H 1 8.186 0.002 . 1 . . . . A 23 LEU H . 36362 1 148 . 1 . 1 23 23 LEU HA H 1 4.354 0 . 1 . . . . A 23 LEU HA . 36362 1 149 . 1 . 1 23 23 LEU HB2 H 1 1.415 0 . . . . . . A 23 LEU HB2 . 36362 1 150 . 1 . 1 23 23 LEU HB3 H 1 1.415 0 . . . . . . A 23 LEU HB3 . 36362 1 151 . 1 . 1 23 23 LEU HG H 1 1.531 0 . 1 . . . . A 23 LEU HG . 36362 1 152 . 1 . 1 23 23 LEU HD11 H 1 0.785 0 . . . . . . A 23 LEU HD11 . 36362 1 153 . 1 . 1 23 23 LEU HD12 H 1 0.785 0 . . . . . . A 23 LEU HD12 . 36362 1 154 . 1 . 1 23 23 LEU HD13 H 1 0.785 0 . . . . . . A 23 LEU HD13 . 36362 1 155 . 1 . 1 23 23 LEU HD21 H 1 0.785 0 . . . . . . A 23 LEU HD21 . 36362 1 156 . 1 . 1 23 23 LEU HD22 H 1 0.785 0 . . . . . . A 23 LEU HD22 . 36362 1 157 . 1 . 1 23 23 LEU HD23 H 1 0.785 0 . . . . . . A 23 LEU HD23 . 36362 1 158 . 1 . 1 24 24 PHE H H 1 8.115 0.008 . 1 . . . . A 24 PHE H . 36362 1 159 . 1 . 1 24 24 PHE HA H 1 4.698 0 . 1 . . . . A 24 PHE HA . 36362 1 160 . 1 . 1 24 24 PHE HB2 H 1 3.079 0.003 . . . . . . A 24 PHE HB2 . 36362 1 161 . 1 . 1 24 24 PHE HB3 H 1 2.946 0.003 . . . . . . A 24 PHE HB3 . 36362 1 162 . 1 . 1 24 24 PHE HE1 H 1 6.801 0 . . . . . . A 24 PHE HE1 . 36362 1 163 . 1 . 1 24 24 PHE HE2 H 1 6.801 0 . . . . . . A 24 PHE HE2 . 36362 1 164 . 1 . 1 24 24 PHE HD1 H 1 7.184 0 . . . . . . A 24 PHE HD1 . 36362 1 165 . 1 . 1 24 24 PHE HZ H 1 7.295 0 . 1 . . . . A 24 PHE HZ . 36362 1 166 . 1 . 1 24 24 PHE HD2 H 1 7.185 0 . . . . . . A 24 PHE HD2 . 36362 1 167 . 1 . 1 25 25 LYS H H 1 8.134 0 . 1 . . . . A 25 LYS H . 36362 1 168 . 1 . 1 25 25 LYS HA H 1 4.368 0 . 1 . . . . A 25 LYS HA . 36362 1 169 . 1 . 1 25 25 LYS HB2 H 1 1.528 0 . . . . . . A 25 LYS HB2 . 36362 1 170 . 1 . 1 25 25 LYS HB3 H 1 1.528 0 . . . . . . A 25 LYS HB3 . 36362 1 171 . 1 . 1 25 25 LYS HG2 H 1 1.074 0 . . . . . . A 25 LYS HG2 . 36362 1 172 . 1 . 1 25 25 LYS HG3 H 1 1.074 0 . . . . . . A 25 LYS HG3 . 36362 1 173 . 1 . 1 25 25 LYS HD2 H 1 1.241 0 . . . . . . A 25 LYS HD2 . 36362 1 174 . 1 . 1 25 25 LYS HD3 H 1 1.241 0 . . . . . . A 25 LYS HD3 . 36362 1 175 . 1 . 1 25 25 LYS HE2 H 1 2.911 0 . . . . . . A 25 LYS HE2 . 36362 1 176 . 1 . 1 25 25 LYS HE3 H 1 2.911 0 . . . . . . A 25 LYS HE3 . 36362 1 177 . 1 . 1 26 26 ILE H H 1 8.325 0.004 . 1 . . . . A 26 ILE H . 36362 1 178 . 1 . 1 26 26 ILE HA H 1 4.322 0 . 1 . . . . A 26 ILE HA . 36362 1 179 . 1 . 1 26 26 ILE HB H 1 1.793 0 . 1 . . . . A 26 ILE HB . 36362 1 180 . 1 . 1 26 26 ILE HG21 H 1 1.078 0 . 1 . . . . A 26 ILE HG21 . 36362 1 181 . 1 . 1 26 26 ILE HG22 H 1 1.078 0 . 1 . . . . A 26 ILE HG22 . 36362 1 182 . 1 . 1 26 26 ILE HG23 H 1 1.078 0 . 1 . . . . A 26 ILE HG23 . 36362 1 183 . 1 . 1 26 26 ILE HG12 H 1 1.4 0 . . . . . . A 26 ILE HG12 . 36362 1 184 . 1 . 1 26 26 ILE HG13 H 1 1.4 0 . . . . . . A 26 ILE HG13 . 36362 1 185 . 1 . 1 26 26 ILE HD11 H 1 0.828 0 . 1 . . . . A 26 ILE HD11 . 36362 1 186 . 1 . 1 26 26 ILE HD12 H 1 0.828 0 . 1 . . . . A 26 ILE HD12 . 36362 1 187 . 1 . 1 26 26 ILE HD13 H 1 0.828 0 . 1 . . . . A 26 ILE HD13 . 36362 1 188 . 1 . 1 27 27 TRP H H 1 8.505 0.001 . 1 . . . . A 27 TRP H . 36362 1 189 . 1 . 1 27 27 TRP HA H 1 5.042 0 . 1 . . . . A 27 TRP HA . 36362 1 190 . 1 . 1 27 27 TRP HB2 H 1 3.055 0 . . . . . . A 27 TRP HB2 . 36362 1 191 . 1 . 1 27 27 TRP HB3 H 1 3.055 0 . . . . . . A 27 TRP HB3 . 36362 1 192 . 1 . 1 27 27 TRP HD1 H 1 7.145 0 . 1 . . . . A 27 TRP HD1 . 36362 1 193 . 1 . 1 27 27 TRP HE3 H 1 6.97 0.003 . 1 . . . . A 27 TRP HE3 . 36362 1 194 . 1 . 1 27 27 TRP HE1 H 1 10.081 0.002 . 1 . . . . A 27 TRP HE1 . 36362 1 195 . 1 . 1 27 27 TRP HZ3 H 1 7.218 0 . 1 . . . . A 27 TRP HZ3 . 36362 1 196 . 1 . 1 27 27 TRP HZ2 H 1 7.427 0 . 1 . . . . A 27 TRP HZ2 . 36362 1 197 . 1 . 1 27 27 TRP HH2 H 1 7.168 0.005 . 1 . . . . A 27 TRP HH2 . 36362 1 198 . 1 . 1 28 28 LYS H H 1 9.128 0.001 . 1 . . . . A 28 LYS H . 36362 1 199 . 1 . 1 28 28 LYS HA H 1 4.561 0 . 1 . . . . A 28 LYS HA . 36362 1 200 . 1 . 1 28 28 LYS HB2 H 1 1.7 0 . . . . . . A 28 LYS HB2 . 36362 1 201 . 1 . 1 28 28 LYS HB3 H 1 1.7 0 . . . . . . A 28 LYS HB3 . 36362 1 202 . 1 . 1 28 28 LYS HG2 H 1 1.133 0 . . . . . . A 28 LYS HG2 . 36362 1 203 . 1 . 1 28 28 LYS HG3 H 1 1.133 0 . . . . . . A 28 LYS HG3 . 36362 1 204 . 1 . 1 28 28 LYS HD2 H 1 1.463 0 . . . . . . A 28 LYS HD2 . 36362 1 205 . 1 . 1 28 28 LYS HD3 H 1 1.463 0 . . . . . . A 28 LYS HD3 . 36362 1 206 . 1 . 1 28 28 LYS HE2 H 1 3.046 0 . . . . . . A 28 LYS HE2 . 36362 1 207 . 1 . 1 28 28 LYS HE3 H 1 3.046 0 . . . . . . A 28 LYS HE3 . 36362 1 208 . 1 . 1 29 29 CYS H H 1 8.942 0.002 . 1 . . . . A 29 CYS H . 36362 1 209 . 1 . 1 29 29 CYS HA H 1 5.509 0 . 1 . . . . A 29 CYS HA . 36362 1 210 . 1 . 1 29 29 CYS HB2 H 1 3.072 0 . . . . . . A 29 CYS HB2 . 36362 1 211 . 1 . 1 29 29 CYS HB3 H 1 2.689 0 . . . . . . A 29 CYS HB3 . 36362 1 212 . 1 . 1 30 30 VAL H H 1 8.567 0.001 . 1 . . . . A 30 VAL H . 36362 1 213 . 1 . 1 30 30 VAL HA H 1 4.097 0 . 1 . . . . A 30 VAL HA . 36362 1 214 . 1 . 1 30 30 VAL HB H 1 2.032 0 . 1 . . . . A 30 VAL HB . 36362 1 215 . 1 . 1 30 30 VAL HG11 H 1 0.917 0 . . . . . . A 30 VAL HG11 . 36362 1 216 . 1 . 1 30 30 VAL HG12 H 1 0.917 0 . . . . . . A 30 VAL HG12 . 36362 1 217 . 1 . 1 30 30 VAL HG13 H 1 0.917 0 . . . . . . A 30 VAL HG13 . 36362 1 218 . 1 . 1 30 30 VAL HG21 H 1 0.917 0 . . . . . . A 30 VAL HG21 . 36362 1 219 . 1 . 1 30 30 VAL HG22 H 1 0.917 0 . . . . . . A 30 VAL HG22 . 36362 1 220 . 1 . 1 30 30 VAL HG23 H 1 0.917 0 . . . . . . A 30 VAL HG23 . 36362 1 221 . 1 . 1 31 31 GLU H H 1 9.31 0 . 1 . . . . A 31 GLU H . 36362 1 222 . 1 . 1 31 31 GLU HA H 1 3.854 0 . 1 . . . . A 31 GLU HA . 36362 1 223 . 1 . 1 31 31 GLU HB2 H 1 2.25 0 . . . . . . A 31 GLU HB2 . 36362 1 224 . 1 . 1 31 31 GLU HB3 H 1 2.128 0 . . . . . . A 31 GLU HB3 . 36362 1 225 . 1 . 1 31 31 GLU HG2 H 1 2.474 0 . . . . . . A 31 GLU HG2 . 36362 1 226 . 1 . 1 31 31 GLU HG3 H 1 2.474 0 . . . . . . A 31 GLU HG3 . 36362 1 227 . 1 . 1 32 32 ASN H H 1 8.569 0.003 . 1 . . . . A 32 ASN H . 36362 1 228 . 1 . 1 32 32 ASN HA H 1 4.392 0 . 1 . . . . A 32 ASN HA . 36362 1 229 . 1 . 1 32 32 ASN HB2 H 1 2.972 0 . . . . . . A 32 ASN HB2 . 36362 1 230 . 1 . 1 32 32 ASN HB3 H 1 2.972 0 . . . . . . A 32 ASN HB3 . 36362 1 231 . 1 . 1 32 32 ASN HD21 H 1 6.891 0.001 . . . . . . A 32 ASN HD21 . 36362 1 232 . 1 . 1 32 32 ASN HD22 H 1 7.543 0.003 . . . . . . A 32 ASN HD22 . 36362 1 233 . 1 . 1 33 33 VAL H H 1 7.933 0.003 . 1 . . . . A 33 VAL H . 36362 1 234 . 1 . 1 33 33 VAL HA H 1 4.225 0 . 1 . . . . A 33 VAL HA . 36362 1 235 . 1 . 1 33 33 VAL HB H 1 2.18 0 . 1 . . . . A 33 VAL HB . 36362 1 236 . 1 . 1 33 33 VAL HG11 H 1 0.946 0 . . . . . . A 33 VAL HG11 . 36362 1 237 . 1 . 1 33 33 VAL HG12 H 1 0.946 0 . . . . . . A 33 VAL HG12 . 36362 1 238 . 1 . 1 33 33 VAL HG13 H 1 0.946 0 . . . . . . A 33 VAL HG13 . 36362 1 239 . 1 . 1 33 33 VAL HG21 H 1 0.946 0 . . . . . . A 33 VAL HG21 . 36362 1 240 . 1 . 1 33 33 VAL HG22 H 1 0.946 0 . . . . . . A 33 VAL HG22 . 36362 1 241 . 1 . 1 33 33 VAL HG23 H 1 0.946 0 . . . . . . A 33 VAL HG23 . 36362 1 242 . 1 . 1 34 34 CYS H H 1 8.829 0.004 . 1 . . . . A 34 CYS H . 36362 1 243 . 1 . 1 34 34 CYS HA H 1 5.517 0 . 1 . . . . A 34 CYS HA . 36362 1 244 . 1 . 1 34 34 CYS HB2 H 1 2.856 0 . . . . . . A 34 CYS HB2 . 36362 1 245 . 1 . 1 34 34 CYS HB3 H 1 2.638 0.001 . . . . . . A 34 CYS HB3 . 36362 1 246 . 1 . 1 35 35 VAL H H 1 8.832 0.002 . 1 . . . . A 35 VAL H . 36362 1 247 . 1 . 1 35 35 VAL HA H 1 4.587 0 . 1 . . . . A 35 VAL HA . 36362 1 248 . 1 . 1 35 35 VAL HB H 1 2.167 0 . 1 . . . . A 35 VAL HB . 36362 1 249 . 1 . 1 35 35 VAL HG11 H 1 0.936 0 . . . . . . A 35 VAL HG11 . 36362 1 250 . 1 . 1 35 35 VAL HG12 H 1 0.936 0 . . . . . . A 35 VAL HG12 . 36362 1 251 . 1 . 1 35 35 VAL HG13 H 1 0.936 0 . . . . . . A 35 VAL HG13 . 36362 1 252 . 1 . 1 35 35 VAL HG21 H 1 0.936 0 . . . . . . A 35 VAL HG21 . 36362 1 253 . 1 . 1 35 35 VAL HG22 H 1 0.936 0 . . . . . . A 35 VAL HG22 . 36362 1 254 . 1 . 1 35 35 VAL HG23 H 1 0.936 0 . . . . . . A 35 VAL HG23 . 36362 1 255 . 1 . 1 36 36 LEU H H 1 8.362 0.003 . 1 . . . . A 36 LEU H . 36362 1 256 . 1 . 1 36 36 LEU HA H 1 4.164 0 . 1 . . . . A 36 LEU HA . 36362 1 257 . 1 . 1 36 36 LEU HB2 H 1 1.184 0 . . . . . . A 36 LEU HB2 . 36362 1 258 . 1 . 1 36 36 LEU HB3 H 1 1.184 0 . . . . . . A 36 LEU HB3 . 36362 1 259 . 1 . 1 36 36 LEU HG H 1 0.999 0 . 1 . . . . A 36 LEU HG . 36362 1 260 . 1 . 1 36 36 LEU HD11 H 1 0.341 0 . . . . . . A 36 LEU HD11 . 36362 1 261 . 1 . 1 36 36 LEU HD12 H 1 0.341 0 . . . . . . A 36 LEU HD12 . 36362 1 262 . 1 . 1 36 36 LEU HD13 H 1 0.341 0 . . . . . . A 36 LEU HD13 . 36362 1 263 . 1 . 1 36 36 LEU HD21 H 1 0.268 0 . . . . . . A 36 LEU HD21 . 36362 1 264 . 1 . 1 36 36 LEU HD22 H 1 0.268 0 . . . . . . A 36 LEU HD22 . 36362 1 265 . 1 . 1 36 36 LEU HD23 H 1 0.268 0 . . . . . . A 36 LEU HD23 . 36362 1 266 . 1 . 1 37 37 TRP H H 1 8.804 0.002 . 1 . . . . A 37 TRP H . 36362 1 267 . 1 . 1 37 37 TRP HA H 1 4.614 0 . 1 . . . . A 37 TRP HA . 36362 1 268 . 1 . 1 37 37 TRP HB2 H 1 3.099 0.001 . . . . . . A 37 TRP HB2 . 36362 1 269 . 1 . 1 37 37 TRP HB3 H 1 2.99 0 . . . . . . A 37 TRP HB3 . 36362 1 270 . 1 . 1 37 37 TRP HD1 H 1 7.114 0 . 1 . . . . A 37 TRP HD1 . 36362 1 271 . 1 . 1 37 37 TRP HE3 H 1 7.531 0.002 . 1 . . . . A 37 TRP HE3 . 36362 1 272 . 1 . 1 37 37 TRP HE1 H 1 10.095 0.002 . 1 . . . . A 37 TRP HE1 . 36362 1 273 . 1 . 1 37 37 TRP HZ3 H 1 7.111 0 . 1 . . . . A 37 TRP HZ3 . 36362 1 274 . 1 . 1 37 37 TRP HZ2 H 1 7.454 0.003 . 1 . . . . A 37 TRP HZ2 . 36362 1 275 . 1 . 1 37 37 TRP HH2 H 1 7.207 0 . 1 . . . . A 37 TRP HH2 . 36362 1 276 . 1 . 1 38 38 TYR H H 1 7.728 0.001 . 1 . . . . A 38 TYR H . 36362 1 277 . 1 . 1 38 38 TYR HA H 1 4.631 0 . 1 . . . . A 38 TYR HA . 36362 1 278 . 1 . 1 38 38 TYR HB2 H 1 2.807 0.004 . . . . . . A 38 TYR HB2 . 36362 1 279 . 1 . 1 38 38 TYR HB3 H 1 2.688 0.001 . . . . . . A 38 TYR HB3 . 36362 1 280 . 1 . 1 38 38 TYR HD1 H 1 6.88 0 . . . . . . A 38 TYR HD1 . 36362 1 281 . 1 . 1 38 38 TYR HD2 H 1 6.88 0 . . . . . . A 38 TYR HD2 . 36362 1 282 . 1 . 1 38 38 TYR HE1 H 1 6.639 0 . . . . . . A 38 TYR HE1 . 36362 1 283 . 1 . 1 38 38 TYR HE2 H 1 6.639 0 . . . . . . A 38 TYR HE2 . 36362 1 284 . 1 . 1 39 39 LYS H H 1 7.954 0 . 1 . . . . A 39 LYS H . 36362 1 285 . 1 . 1 39 39 LYS HA H 1 4.089 0 . 1 . . . . A 39 LYS HA . 36362 1 286 . 1 . 1 39 39 LYS HB2 H 1 1.706 0 . . . . . . A 39 LYS HB2 . 36362 1 287 . 1 . 1 39 39 LYS HB3 H 1 1.706 0 . . . . . . A 39 LYS HB3 . 36362 1 288 . 1 . 1 39 39 LYS HG2 H 1 1.242 0 . . . . . . A 39 LYS HG2 . 36362 1 289 . 1 . 1 39 39 LYS HG3 H 1 1.242 0 . . . . . . A 39 LYS HG3 . 36362 1 290 . 1 . 1 39 39 LYS HD2 H 1 1.528 0 . . . . . . A 39 LYS HD2 . 36362 1 291 . 1 . 1 39 39 LYS HD3 H 1 1.528 0 . . . . . . A 39 LYS HD3 . 36362 1 292 . 1 . 1 39 39 LYS HE2 H 1 2.872 0 . . . . . . A 39 LYS HE2 . 36362 1 293 . 1 . 1 39 39 LYS HE3 H 1 2.872 0 . . . . . . A 39 LYS HE3 . 36362 1 stop_ save_