################################### # 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 36363 _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 36363 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36363 1 3 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 36363 1 4 '3D 1H-15N NOESY' 2 $sample_2 isotropic 36363 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 8.653 0.002 . 1 . . . . A 2 GLU H . 36363 1 2 . 1 . 1 2 2 GLU HA H 1 4.416 0.001 . 1 . . . . A 2 GLU HA . 36363 1 3 . 1 . 1 2 2 GLU HB2 H 1 2.096 0.003 . . . . . . A 2 GLU HB2 . 36363 1 4 . 1 . 1 2 2 GLU HB3 H 1 1.975 0 . . . . . . A 2 GLU HB3 . 36363 1 5 . 1 . 1 2 2 GLU HG2 H 1 2.45 0 . . . . . . A 2 GLU HG2 . 36363 1 6 . 1 . 1 2 2 GLU HG3 H 1 2.45 0 . . . . . . A 2 GLU HG3 . 36363 1 7 . 1 . 1 3 3 ASP H H 1 8.722 0.001 . 1 . . . . A 3 ASP H . 36363 1 8 . 1 . 1 3 3 ASP HA H 1 4.733 0.009 . 1 . . . . A 3 ASP HA . 36363 1 9 . 1 . 1 3 3 ASP HB2 H 1 2.916 0.001 . . . . . . A 3 ASP HB2 . 36363 1 10 . 1 . 1 3 3 ASP HB3 H 1 2.787 0.004 . . . . . . A 3 ASP HB3 . 36363 1 11 . 1 . 1 4 4 ILE H H 1 8.189 0.001 . 1 . . . . A 4 ILE H . 36363 1 12 . 1 . 1 4 4 ILE HA H 1 4.173 0.002 . 1 . . . . A 4 ILE HA . 36363 1 13 . 1 . 1 4 4 ILE HB H 1 1.904 0 . 1 . . . . A 4 ILE HB . 36363 1 14 . 1 . 1 4 4 ILE HG21 H 1 1.19 0 . 1 . . . . A 4 ILE HG21 . 36363 1 15 . 1 . 1 4 4 ILE HG22 H 1 1.19 0 . 1 . . . . A 4 ILE HG22 . 36363 1 16 . 1 . 1 4 4 ILE HG23 H 1 1.19 0 . 1 . . . . A 4 ILE HG23 . 36363 1 17 . 1 . 1 4 4 ILE HG12 H 1 1.449 0 . . . . . . A 4 ILE HG12 . 36363 1 18 . 1 . 1 4 4 ILE HG13 H 1 1.449 0 . . . . . . A 4 ILE HG13 . 36363 1 19 . 1 . 1 4 4 ILE HD11 H 1 0.897 0.002 . 1 . . . . A 4 ILE HD11 . 36363 1 20 . 1 . 1 4 4 ILE HD12 H 1 0.897 0.002 . 1 . . . . A 4 ILE HD12 . 36363 1 21 . 1 . 1 4 4 ILE HD13 H 1 0.897 0.002 . 1 . . . . A 4 ILE HD13 . 36363 1 22 . 1 . 1 5 5 GLY H H 1 8.441 0.001 . 1 . . . . A 5 GLY H . 36363 1 23 . 1 . 1 5 5 GLY HA2 H 1 3.918 0.002 . . . . . . A 5 GLY HA2 . 36363 1 24 . 1 . 1 5 5 GLY HA3 H 1 3.918 0.002 . . . . . . A 5 GLY HA3 . 36363 1 25 . 1 . 1 6 6 HIS H H 1 8.359 0.003 . 1 . . . . A 6 HIS H . 36363 1 26 . 1 . 1 6 6 HIS HA H 1 4.711 0.001 . 1 . . . . A 6 HIS HA . 36363 1 27 . 1 . 1 6 6 HIS HB2 H 1 3.283 0 . . . . . . A 6 HIS HB2 . 36363 1 28 . 1 . 1 6 6 HIS HB3 H 1 3.152 0 . . . . . . A 6 HIS HB3 . 36363 1 29 . 1 . 1 6 6 HIS HD2 H 1 7.279 0.005 . 1 . . . . A 6 HIS HD2 . 36363 1 30 . 1 . 1 6 6 HIS HE1 H 1 8.609 0.001 . 1 . . . . A 6 HIS HE1 . 36363 1 31 . 1 . 1 7 7 ILE H H 1 8.103 0.001 . 1 . . . . A 7 ILE H . 36363 1 32 . 1 . 1 7 7 ILE HA H 1 4.034 0 . 1 . . . . A 7 ILE HA . 36363 1 33 . 1 . 1 7 7 ILE HB H 1 1.712 0.001 . 1 . . . . A 7 ILE HB . 36363 1 34 . 1 . 1 7 7 ILE HG21 H 1 0.833 0 . 1 . . . . A 7 ILE HG21 . 36363 1 35 . 1 . 1 7 7 ILE HG22 H 1 0.833 0 . 1 . . . . A 7 ILE HG22 . 36363 1 36 . 1 . 1 7 7 ILE HG23 H 1 0.833 0 . 1 . . . . A 7 ILE HG23 . 36363 1 37 . 1 . 1 7 7 ILE HG12 H 1 1.419 0 . . . . . . A 7 ILE HG12 . 36363 1 38 . 1 . 1 7 7 ILE HG13 H 1 1.08 0 . . . . . . A 7 ILE HG13 . 36363 1 39 . 1 . 1 7 7 ILE HD11 H 1 0.688 0.001 . 1 . . . . A 7 ILE HD11 . 36363 1 40 . 1 . 1 7 7 ILE HD12 H 1 0.688 0.001 . 1 . . . . A 7 ILE HD12 . 36363 1 41 . 1 . 1 7 7 ILE HD13 H 1 0.688 0.001 . 1 . . . . A 7 ILE HD13 . 36363 1 42 . 1 . 1 8 8 LYS H H 1 8.576 0.001 . 1 . . . . A 8 LYS H . 36363 1 43 . 1 . 1 8 8 LYS HA H 1 4.351 0.003 . 1 . . . . A 8 LYS HA . 36363 1 44 . 1 . 1 8 8 LYS HB2 H 1 1.61 0.001 . . . . . . A 8 LYS HB2 . 36363 1 45 . 1 . 1 8 8 LYS HB3 H 1 1.61 0.001 . . . . . . A 8 LYS HB3 . 36363 1 46 . 1 . 1 8 8 LYS HG2 H 1 1.286 0.006 . . . . . . A 8 LYS HG2 . 36363 1 47 . 1 . 1 8 8 LYS HG3 H 1 1.286 0.006 . . . . . . A 8 LYS HG3 . 36363 1 48 . 1 . 1 8 8 LYS HD2 H 1 1.507 0.002 . . . . . . A 8 LYS HD2 . 36363 1 49 . 1 . 1 8 8 LYS HD3 H 1 1.507 0.002 . . . . . . A 8 LYS HD3 . 36363 1 50 . 1 . 1 8 8 LYS HE2 H 1 2.849 0 . . . . . . A 8 LYS HE2 . 36363 1 51 . 1 . 1 8 8 LYS HE3 H 1 2.849 0 . . . . . . A 8 LYS HE3 . 36363 1 52 . 1 . 1 9 9 TYR H H 1 8.044 0.004 . 1 . . . . A 9 TYR H . 36363 1 53 . 1 . 1 9 9 TYR HA H 1 4.854 0.006 . 1 . . . . A 9 TYR HA . 36363 1 54 . 1 . 1 9 9 TYR HB2 H 1 2.906 0.006 . . . . . . A 9 TYR HB2 . 36363 1 55 . 1 . 1 9 9 TYR HB3 H 1 2.906 0.006 . . . . . . A 9 TYR HB3 . 36363 1 56 . 1 . 1 9 9 TYR HD1 H 1 7.135 0.002 . . . . . . A 9 TYR HD1 . 36363 1 57 . 1 . 1 9 9 TYR HD2 H 1 7.135 0.002 . . . . . . A 9 TYR HD2 . 36363 1 58 . 1 . 1 9 9 TYR HE1 H 1 6.715 0.001 . . . . . . A 9 TYR HE1 . 36363 1 59 . 1 . 1 9 9 TYR HE2 H 1 6.715 0.001 . . . . . . A 9 TYR HE2 . 36363 1 60 . 1 . 1 10 10 CYS H H 1 7.858 0.001 . 1 . . . . A 10 CYS H . 36363 1 61 . 1 . 1 10 10 CYS HA H 1 4.519 0 . 1 . . . . A 10 CYS HA . 36363 1 62 . 1 . 1 10 10 CYS HB2 H 1 2.998 0 . . . . . . A 10 CYS HB2 . 36363 1 63 . 1 . 1 10 10 CYS HB3 H 1 2.998 0 . . . . . . A 10 CYS HB3 . 36363 1 64 . 1 . 1 11 11 GLY H H 1 8.979 0.007 . 1 . . . . A 11 GLY H . 36363 1 65 . 1 . 1 11 11 GLY HA2 H 1 3.988 0 . . . . . . A 11 GLY HA2 . 36363 1 66 . 1 . 1 11 11 GLY HA3 H 1 3.8 0.006 . . . . . . A 11 GLY HA3 . 36363 1 67 . 1 . 1 12 12 ILE H H 1 7.692 0.003 . 1 . . . . A 12 ILE H . 36363 1 68 . 1 . 1 12 12 ILE HA H 1 3.992 0 . 1 . . . . A 12 ILE HA . 36363 1 69 . 1 . 1 12 12 ILE HB H 1 1.686 0 . 1 . . . . A 12 ILE HB . 36363 1 70 . 1 . 1 12 12 ILE HG21 H 1 1.209 0 . 1 . . . . A 12 ILE HG21 . 36363 1 71 . 1 . 1 12 12 ILE HG22 H 1 1.209 0 . 1 . . . . A 12 ILE HG22 . 36363 1 72 . 1 . 1 12 12 ILE HG23 H 1 1.209 0 . 1 . . . . A 12 ILE HG23 . 36363 1 73 . 1 . 1 12 12 ILE HG12 H 1 1.543 0 . . . . . . A 12 ILE HG12 . 36363 1 74 . 1 . 1 12 12 ILE HG13 H 1 1.543 0 . . . . . . A 12 ILE HG13 . 36363 1 75 . 1 . 1 12 12 ILE HD11 H 1 1.175 0 . 1 . . . . A 12 ILE HD11 . 36363 1 76 . 1 . 1 12 12 ILE HD12 H 1 1.175 0 . 1 . . . . A 12 ILE HD12 . 36363 1 77 . 1 . 1 12 12 ILE HD13 H 1 1.175 0 . 1 . . . . A 12 ILE HD13 . 36363 1 78 . 1 . 1 13 13 VAL H H 1 7.702 0 . 1 . . . . A 13 VAL H . 36363 1 79 . 1 . 1 13 13 VAL HA H 1 4.511 0 . 1 . . . . A 13 VAL HA . 36363 1 80 . 1 . 1 13 13 VAL HB H 1 2.007 0 . 1 . . . . A 13 VAL HB . 36363 1 81 . 1 . 1 13 13 VAL HG11 H 1 0.945 0 . . . . . . A 13 VAL HG11 . 36363 1 82 . 1 . 1 13 13 VAL HG12 H 1 0.945 0 . . . . . . A 13 VAL HG12 . 36363 1 83 . 1 . 1 13 13 VAL HG13 H 1 0.945 0 . . . . . . A 13 VAL HG13 . 36363 1 84 . 1 . 1 13 13 VAL HG21 H 1 0.945 0 . . . . . . A 13 VAL HG21 . 36363 1 85 . 1 . 1 13 13 VAL HG22 H 1 0.945 0 . . . . . . A 13 VAL HG22 . 36363 1 86 . 1 . 1 13 13 VAL HG23 H 1 0.945 0 . . . . . . A 13 VAL HG23 . 36363 1 87 . 1 . 1 14 14 ASP H H 1 8.222 0.001 . 1 . . . . A 14 ASP H . 36363 1 88 . 1 . 1 14 14 ASP HA H 1 4.64 0 . 1 . . . . A 14 ASP HA . 36363 1 89 . 1 . 1 14 14 ASP HB2 H 1 3.176 0 . . . . . . A 14 ASP HB2 . 36363 1 90 . 1 . 1 14 14 ASP HB3 H 1 3.026 0 . . . . . . A 14 ASP HB3 . 36363 1 91 . 1 . 1 15 15 ASP H H 1 8.05 0.008 . 1 . . . . A 15 ASP H . 36363 1 92 . 1 . 1 15 15 ASP HA H 1 4.256 0.004 . 1 . . . . A 15 ASP HA . 36363 1 93 . 1 . 1 15 15 ASP HB2 H 1 2.589 0.007 . . . . . . A 15 ASP HB2 . 36363 1 94 . 1 . 1 15 15 ASP HB3 H 1 2.589 0.007 . . . . . . A 15 ASP HB3 . 36363 1 95 . 1 . 1 16 16 CYS H H 1 7.917 0.002 . 1 . . . . A 16 CYS H . 36363 1 96 . 1 . 1 16 16 CYS HA H 1 4.445 0.001 . 1 . . . . A 16 CYS HA . 36363 1 97 . 1 . 1 16 16 CYS HB2 H 1 2.993 0.001 . . . . . . A 16 CYS HB2 . 36363 1 98 . 1 . 1 16 16 CYS HB3 H 1 2.77 0.001 . . . . . . A 16 CYS HB3 . 36363 1 99 . 1 . 1 17 17 TYR H H 1 8.008 0.001 . 1 . . . . A 17 TYR H . 36363 1 100 . 1 . 1 17 17 TYR HA H 1 3.948 0 . 1 . . . . A 17 TYR HA . 36363 1 101 . 1 . 1 17 17 TYR HB2 H 1 2.324 0.001 . . . . . . A 17 TYR HB2 . 36363 1 102 . 1 . 1 17 17 TYR HB3 H 1 1.923 0.009 . . . . . . A 17 TYR HB3 . 36363 1 103 . 1 . 1 17 17 TYR HD1 H 1 7.244 0.001 . . . . . . A 17 TYR HD1 . 36363 1 104 . 1 . 1 17 17 TYR HD2 H 1 7.244 0.001 . . . . . . A 17 TYR HD2 . 36363 1 105 . 1 . 1 17 17 TYR HE1 H 1 7.015 0.001 . . . . . . A 17 TYR HE1 . 36363 1 106 . 1 . 1 17 17 TYR HE2 H 1 7.015 0.001 . . . . . . A 17 TYR HE2 . 36363 1 107 . 1 . 1 18 18 LYS H H 1 7.942 0.001 . 1 . . . . A 18 LYS H . 36363 1 108 . 1 . 1 18 18 LYS HA H 1 4.303 0 . 1 . . . . A 18 LYS HA . 36363 1 109 . 1 . 1 18 18 LYS HB2 H 1 1.787 0 . . . . . . A 18 LYS HB2 . 36363 1 110 . 1 . 1 18 18 LYS HB3 H 1 1.787 0 . . . . . . A 18 LYS HB3 . 36363 1 111 . 1 . 1 18 18 LYS HG2 H 1 1.391 0 . . . . . . A 18 LYS HG2 . 36363 1 112 . 1 . 1 18 18 LYS HG3 H 1 1.391 0 . . . . . . A 18 LYS HG3 . 36363 1 113 . 1 . 1 18 18 LYS HD2 H 1 1.493 0 . . . . . . A 18 LYS HD2 . 36363 1 114 . 1 . 1 18 18 LYS HD3 H 1 1.493 0 . . . . . . A 18 LYS HD3 . 36363 1 115 . 1 . 1 18 18 LYS HE2 H 1 2.958 0 . . . . . . A 18 LYS HE2 . 36363 1 116 . 1 . 1 18 18 LYS HE3 H 1 2.958 0 . . . . . . A 18 LYS HE3 . 36363 1 117 . 1 . 1 19 19 SER H H 1 7.979 0.002 . 1 . . . . A 19 SER H . 36363 1 118 . 1 . 1 19 19 SER HA H 1 4.479 0.001 . 1 . . . . A 19 SER HA . 36363 1 119 . 1 . 1 19 19 SER HB2 H 1 3.933 0.003 . . . . . . A 19 SER HB2 . 36363 1 120 . 1 . 1 19 19 SER HB3 H 1 3.839 0.003 . . . . . . A 19 SER HB3 . 36363 1 121 . 1 . 1 20 20 LYS H H 1 8.354 0.002 . 1 . . . . A 20 LYS H . 36363 1 122 . 1 . 1 20 20 LYS HA H 1 4.313 0.001 . 1 . . . . A 20 LYS HA . 36363 1 123 . 1 . 1 20 20 LYS HB2 H 1 1.848 0 . . . . . . A 20 LYS HB2 . 36363 1 124 . 1 . 1 20 20 LYS HB3 H 1 1.848 0 . . . . . . A 20 LYS HB3 . 36363 1 125 . 1 . 1 20 20 LYS HG2 H 1 1.488 0 . . . . . . A 20 LYS HG2 . 36363 1 126 . 1 . 1 20 20 LYS HG3 H 1 1.441 0 . . . . . . A 20 LYS HG3 . 36363 1 127 . 1 . 1 20 20 LYS HD2 H 1 1.698 0 . . . . . . A 20 LYS HD2 . 36363 1 128 . 1 . 1 20 20 LYS HD3 H 1 1.698 0 . . . . . . A 20 LYS HD3 . 36363 1 129 . 1 . 1 20 20 LYS HE2 H 1 2.677 0 . . . . . . A 20 LYS HE2 . 36363 1 130 . 1 . 1 20 20 LYS HE3 H 1 2.677 0 . . . . . . A 20 LYS HE3 . 36363 1 131 . 1 . 1 21 21 LYS H H 1 8.14 0.002 . 1 . . . . A 21 LYS H . 36363 1 132 . 1 . 1 21 21 LYS HA H 1 4.566 0.003 . 1 . . . . A 21 LYS HA . 36363 1 133 . 1 . 1 21 21 LYS HB2 H 1 1.724 0 . . . . . . A 21 LYS HB2 . 36363 1 134 . 1 . 1 21 21 LYS HB3 H 1 1.724 0 . . . . . . A 21 LYS HB3 . 36363 1 135 . 1 . 1 21 21 LYS HG2 H 1 1.313 0.002 . . . . . . A 21 LYS HG2 . 36363 1 136 . 1 . 1 21 21 LYS HG3 H 1 1.313 0.002 . . . . . . A 21 LYS HG3 . 36363 1 137 . 1 . 1 21 21 LYS HD2 H 1 1.543 0.003 . . . . . . A 21 LYS HD2 . 36363 1 138 . 1 . 1 21 21 LYS HD3 H 1 1.543 0.003 . . . . . . A 21 LYS HD3 . 36363 1 139 . 1 . 1 21 21 LYS HE2 H 1 2.988 0 . . . . . . A 21 LYS HE2 . 36363 1 140 . 1 . 1 21 21 LYS HE3 H 1 2.988 0 . . . . . . A 21 LYS HE3 . 36363 1 141 . 1 . 1 22 22 PRO HA H 1 4.175 0.003 . 1 . . . . A 22 PRO HA . 36363 1 142 . 1 . 1 22 22 PRO HB2 H 1 1.93 0.006 . . . . . . A 22 PRO HB2 . 36363 1 143 . 1 . 1 22 22 PRO HB3 H 1 1.93 0.006 . . . . . . A 22 PRO HB3 . 36363 1 144 . 1 . 1 22 22 PRO HG2 H 1 1.738 0.001 . . . . . . A 22 PRO HG2 . 36363 1 145 . 1 . 1 22 22 PRO HG3 H 1 1.61 0.002 . . . . . . A 22 PRO HG3 . 36363 1 146 . 1 . 1 22 22 PRO HD2 H 1 3.567 0.003 . . . . . . A 22 PRO HD2 . 36363 1 147 . 1 . 1 22 22 PRO HD3 H 1 3.388 0.001 . . . . . . A 22 PRO HD3 . 36363 1 148 . 1 . 1 23 23 LEU H H 1 8.118 0.001 . 1 . . . . A 23 LEU H . 36363 1 149 . 1 . 1 23 23 LEU HA H 1 4.124 0.003 . 1 . . . . A 23 LEU HA . 36363 1 150 . 1 . 1 23 23 LEU HB2 H 1 1.454 0.002 . . . . . . A 23 LEU HB2 . 36363 1 151 . 1 . 1 23 23 LEU HB3 H 1 1.454 0.002 . . . . . . A 23 LEU HB3 . 36363 1 152 . 1 . 1 23 23 LEU HG H 1 1.255 0.001 . 1 . . . . A 23 LEU HG . 36363 1 153 . 1 . 1 23 23 LEU HD11 H 1 0.772 0 . . . . . . A 23 LEU HD11 . 36363 1 154 . 1 . 1 23 23 LEU HD12 H 1 0.772 0 . . . . . . A 23 LEU HD12 . 36363 1 155 . 1 . 1 23 23 LEU HD13 H 1 0.772 0 . . . . . . A 23 LEU HD13 . 36363 1 156 . 1 . 1 23 23 LEU HD21 H 1 0.772 0 . . . . . . A 23 LEU HD21 . 36363 1 157 . 1 . 1 23 23 LEU HD22 H 1 0.772 0 . . . . . . A 23 LEU HD22 . 36363 1 158 . 1 . 1 23 23 LEU HD23 H 1 0.772 0 . . . . . . A 23 LEU HD23 . 36363 1 159 . 1 . 1 24 24 PHE H H 1 7.812 0.002 . 1 . . . . A 24 PHE H . 36363 1 160 . 1 . 1 24 24 PHE HA H 1 4.604 0.001 . 1 . . . . A 24 PHE HA . 36363 1 161 . 1 . 1 24 24 PHE HB2 H 1 3.188 0 . . . . . . A 24 PHE HB2 . 36363 1 162 . 1 . 1 24 24 PHE HB3 H 1 3.053 0.002 . . . . . . A 24 PHE HB3 . 36363 1 163 . 1 . 1 24 24 PHE HD1 H 1 7.211 0.002 . . . . . . A 24 PHE HD1 . 36363 1 164 . 1 . 1 24 24 PHE HD2 H 1 7.211 0.002 . . . . . . A 24 PHE HD2 . 36363 1 165 . 1 . 1 24 24 PHE HE1 H 1 7.324 0.002 . . . . . . A 24 PHE HE1 . 36363 1 166 . 1 . 1 24 24 PHE HE2 H 1 7.324 0.002 . . . . . . A 24 PHE HE2 . 36363 1 167 . 1 . 1 25 25 LYS H H 1 8.288 0.002 . 1 . . . . A 25 LYS H . 36363 1 168 . 1 . 1 25 25 LYS HA H 1 4.303 0 . 1 . . . . A 25 LYS HA . 36363 1 169 . 1 . 1 25 25 LYS HB2 H 1 1.868 0 . . . . . . A 25 LYS HB2 . 36363 1 170 . 1 . 1 25 25 LYS HB3 H 1 1.761 0 . . . . . . A 25 LYS HB3 . 36363 1 171 . 1 . 1 25 25 LYS HG2 H 1 1.401 0 . . . . . . A 25 LYS HG2 . 36363 1 172 . 1 . 1 25 25 LYS HG3 H 1 1.401 0 . . . . . . A 25 LYS HG3 . 36363 1 173 . 1 . 1 25 25 LYS HD2 H 1 1.64 0 . . . . . . A 25 LYS HD2 . 36363 1 174 . 1 . 1 25 25 LYS HD3 H 1 1.64 0 . . . . . . A 25 LYS HD3 . 36363 1 175 . 1 . 1 25 25 LYS HE2 H 1 2.975 0 . . . . . . A 25 LYS HE2 . 36363 1 176 . 1 . 1 25 25 LYS HE3 H 1 2.975 0 . . . . . . A 25 LYS HE3 . 36363 1 177 . 1 . 1 26 26 ILE H H 1 8.031 0.002 . 1 . . . . A 26 ILE H . 36363 1 178 . 1 . 1 26 26 ILE HA H 1 4.322 0.003 . 1 . . . . A 26 ILE HA . 36363 1 179 . 1 . 1 26 26 ILE HB H 1 1.765 0.002 . 1 . . . . A 26 ILE HB . 36363 1 180 . 1 . 1 26 26 ILE HG21 H 1 0.746 0 . 1 . . . . A 26 ILE HG21 . 36363 1 181 . 1 . 1 26 26 ILE HG22 H 1 0.746 0 . 1 . . . . A 26 ILE HG22 . 36363 1 182 . 1 . 1 26 26 ILE HG23 H 1 0.746 0 . 1 . . . . A 26 ILE HG23 . 36363 1 183 . 1 . 1 26 26 ILE HG12 H 1 1.029 0 . . . . . . A 26 ILE HG12 . 36363 1 184 . 1 . 1 26 26 ILE HG13 H 1 1.029 0 . . . . . . A 26 ILE HG13 . 36363 1 185 . 1 . 1 26 26 ILE HD11 H 1 0.613 0.001 . 1 . . . . A 26 ILE HD11 . 36363 1 186 . 1 . 1 26 26 ILE HD12 H 1 0.613 0.001 . 1 . . . . A 26 ILE HD12 . 36363 1 187 . 1 . 1 26 26 ILE HD13 H 1 0.613 0.001 . 1 . . . . A 26 ILE HD13 . 36363 1 188 . 1 . 1 27 27 TRP H H 1 7.659 0.003 . 1 . . . . A 27 TRP H . 36363 1 189 . 1 . 1 27 27 TRP HA H 1 5.37 0.002 . 1 . . . . A 27 TRP HA . 36363 1 190 . 1 . 1 27 27 TRP HB2 H 1 2.606 0.012 . . . . . . A 27 TRP HB2 . 36363 1 191 . 1 . 1 27 27 TRP HB3 H 1 3.058 0.001 . . . . . . A 27 TRP HB3 . 36363 1 192 . 1 . 1 27 27 TRP HD1 H 1 6.098 0.004 . 1 . . . . A 27 TRP HD1 . 36363 1 193 . 1 . 1 27 27 TRP HE3 H 1 7.359 0.004 . 1 . . . . A 27 TRP HE3 . 36363 1 194 . 1 . 1 27 27 TRP HE1 H 1 9.914 0.002 . 1 . . . . A 27 TRP HE1 . 36363 1 195 . 1 . 1 27 27 TRP HZ3 H 1 6.856 0.001 . 1 . . . . A 27 TRP HZ3 . 36363 1 196 . 1 . 1 27 27 TRP HZ2 H 1 7.37 0.002 . 1 . . . . A 27 TRP HZ2 . 36363 1 197 . 1 . 1 27 27 TRP HH2 H 1 7.166 0.002 . 1 . . . . A 27 TRP HH2 . 36363 1 198 . 1 . 1 28 28 LYS H H 1 9.475 0.001 . 1 . . . . A 28 LYS H . 36363 1 199 . 1 . 1 28 28 LYS HA H 1 4.526 0.004 . 1 . . . . A 28 LYS HA . 36363 1 200 . 1 . 1 28 28 LYS HB2 H 1 1.547 0.001 . . . . . . A 28 LYS HB2 . 36363 1 201 . 1 . 1 28 28 LYS HB3 H 1 1.42 0.001 . . . . . . A 28 LYS HB3 . 36363 1 202 . 1 . 1 28 28 LYS HG2 H 1 1.002 0 . . . . . . A 28 LYS HG2 . 36363 1 203 . 1 . 1 28 28 LYS HG3 H 1 1.002 0 . . . . . . A 28 LYS HG3 . 36363 1 204 . 1 . 1 28 28 LYS HD2 H 1 1.105 0 . . . . . . A 28 LYS HD2 . 36363 1 205 . 1 . 1 28 28 LYS HD3 H 1 1.105 0 . . . . . . A 28 LYS HD3 . 36363 1 206 . 1 . 1 28 28 LYS HE2 H 1 2.859 0 . . . . . . A 28 LYS HE2 . 36363 1 207 . 1 . 1 28 28 LYS HE3 H 1 2.859 0 . . . . . . A 28 LYS HE3 . 36363 1 208 . 1 . 1 29 29 CYS H H 1 8.784 0.002 . 1 . . . . A 29 CYS H . 36363 1 209 . 1 . 1 29 29 CYS HA H 1 5.209 0.003 . 1 . . . . A 29 CYS HA . 36363 1 210 . 1 . 1 29 29 CYS HB2 H 1 2.234 0.007 . . . . . . A 29 CYS HB2 . 36363 1 211 . 1 . 1 29 29 CYS HB3 H 1 3.002 0.001 . . . . . . A 29 CYS HB3 . 36363 1 212 . 1 . 1 30 30 VAL H H 1 9.069 0.001 . 1 . . . . A 30 VAL H . 36363 1 213 . 1 . 1 30 30 VAL HA H 1 4.218 0.001 . 1 . . . . A 30 VAL HA . 36363 1 214 . 1 . 1 30 30 VAL HB H 1 1.96 0 . 1 . . . . A 30 VAL HB . 36363 1 215 . 1 . 1 30 30 VAL HG11 H 1 0.986 0 . . . . . . A 30 VAL HG11 . 36363 1 216 . 1 . 1 30 30 VAL HG12 H 1 0.986 0 . . . . . . A 30 VAL HG12 . 36363 1 217 . 1 . 1 30 30 VAL HG13 H 1 0.986 0 . . . . . . A 30 VAL HG13 . 36363 1 218 . 1 . 1 30 30 VAL HG21 H 1 0.806 0.001 . . . . . . A 30 VAL HG21 . 36363 1 219 . 1 . 1 30 30 VAL HG22 H 1 0.806 0.001 . . . . . . A 30 VAL HG22 . 36363 1 220 . 1 . 1 30 30 VAL HG23 H 1 0.806 0.001 . . . . . . A 30 VAL HG23 . 36363 1 221 . 1 . 1 31 31 GLU H H 1 9.404 0.001 . 1 . . . . A 31 GLU H . 36363 1 222 . 1 . 1 31 31 GLU HA H 1 3.825 0.01 . 1 . . . . A 31 GLU HA . 36363 1 223 . 1 . 1 31 31 GLU HB2 H 1 2.461 0 . . . . . . A 31 GLU HB2 . 36363 1 224 . 1 . 1 31 31 GLU HB3 H 1 2.298 0.001 . . . . . . A 31 GLU HB3 . 36363 1 225 . 1 . 1 31 31 GLU HG2 H 1 2.065 0 . . . . . . A 31 GLU HG2 . 36363 1 226 . 1 . 1 31 31 GLU HG3 H 1 2.065 0 . . . . . . A 31 GLU HG3 . 36363 1 227 . 1 . 1 32 32 ASN H H 1 8.456 0.002 . 1 . . . . A 32 ASN H . 36363 1 228 . 1 . 1 32 32 ASN HA H 1 4.431 0.004 . 1 . . . . A 32 ASN HA . 36363 1 229 . 1 . 1 32 32 ASN HB2 H 1 3.243 0.003 . . . . . . A 32 ASN HB2 . 36363 1 230 . 1 . 1 32 32 ASN HB3 H 1 3 0.002 . . . . . . A 32 ASN HB3 . 36363 1 231 . 1 . 1 32 32 ASN HD21 H 1 7.858 0.001 . . . . . . A 32 ASN HD21 . 36363 1 232 . 1 . 1 32 32 ASN HD22 H 1 6.945 0.001 . . . . . . A 32 ASN HD22 . 36363 1 233 . 1 . 1 33 33 VAL H H 1 7.68 0.002 . 1 . . . . A 33 VAL H . 36363 1 234 . 1 . 1 33 33 VAL HA H 1 4.551 0.002 . 1 . . . . A 33 VAL HA . 36363 1 235 . 1 . 1 33 33 VAL HB H 1 1.978 0.001 . 1 . . . . A 33 VAL HB . 36363 1 236 . 1 . 1 33 33 VAL HG11 H 1 0.914 0.005 . . . . . . A 33 VAL HG11 . 36363 1 237 . 1 . 1 33 33 VAL HG12 H 1 0.914 0.005 . . . . . . A 33 VAL HG12 . 36363 1 238 . 1 . 1 33 33 VAL HG13 H 1 0.914 0.005 . . . . . . A 33 VAL HG13 . 36363 1 239 . 1 . 1 33 33 VAL HG21 H 1 0.914 0.005 . . . . . . A 33 VAL HG21 . 36363 1 240 . 1 . 1 33 33 VAL HG22 H 1 0.914 0.005 . . . . . . A 33 VAL HG22 . 36363 1 241 . 1 . 1 33 33 VAL HG23 H 1 0.914 0.005 . . . . . . A 33 VAL HG23 . 36363 1 242 . 1 . 1 34 34 CYS H H 1 8.303 0.001 . 1 . . . . A 34 CYS H . 36363 1 243 . 1 . 1 34 34 CYS HA H 1 5.011 0.005 . 1 . . . . A 34 CYS HA . 36363 1 244 . 1 . 1 34 34 CYS HB2 H 1 2.622 0.005 . . . . . . A 34 CYS HB2 . 36363 1 245 . 1 . 1 34 34 CYS HB3 H 1 2.622 0.005 . . . . . . A 34 CYS HB3 . 36363 1 246 . 1 . 1 35 35 VAL H H 1 9.647 0.001 . 1 . . . . A 35 VAL H . 36363 1 247 . 1 . 1 35 35 VAL HA H 1 4.681 0.01 . 1 . . . . A 35 VAL HA . 36363 1 248 . 1 . 1 35 35 VAL HB H 1 2.085 0.001 . 1 . . . . A 35 VAL HB . 36363 1 249 . 1 . 1 35 35 VAL HG11 H 1 0.99 0 . . . . . . A 35 VAL HG11 . 36363 1 250 . 1 . 1 35 35 VAL HG12 H 1 0.99 0 . . . . . . A 35 VAL HG12 . 36363 1 251 . 1 . 1 35 35 VAL HG13 H 1 0.99 0 . . . . . . A 35 VAL HG13 . 36363 1 252 . 1 . 1 35 35 VAL HG21 H 1 0.99 0 . . . . . . A 35 VAL HG21 . 36363 1 253 . 1 . 1 35 35 VAL HG22 H 1 0.99 0 . . . . . . A 35 VAL HG22 . 36363 1 254 . 1 . 1 35 35 VAL HG23 H 1 0.99 0 . . . . . . A 35 VAL HG23 . 36363 1 255 . 1 . 1 36 36 LEU H H 1 8.569 0.001 . 1 . . . . A 36 LEU H . 36363 1 256 . 1 . 1 36 36 LEU HA H 1 4.193 0.004 . 1 . . . . A 36 LEU HA . 36363 1 257 . 1 . 1 36 36 LEU HB2 H 1 1.23 0 . . . . . . A 36 LEU HB2 . 36363 1 258 . 1 . 1 36 36 LEU HB3 H 1 1.23 0 . . . . . . A 36 LEU HB3 . 36363 1 259 . 1 . 1 36 36 LEU HG H 1 1.122 0 . 1 . . . . A 36 LEU HG . 36363 1 260 . 1 . 1 36 36 LEU HD11 H 1 0.425 0.001 . . . . . . A 36 LEU HD11 . 36363 1 261 . 1 . 1 36 36 LEU HD12 H 1 0.425 0.001 . . . . . . A 36 LEU HD12 . 36363 1 262 . 1 . 1 36 36 LEU HD13 H 1 0.425 0.001 . . . . . . A 36 LEU HD13 . 36363 1 263 . 1 . 1 36 36 LEU HD21 H 1 -0.002 0.002 . . . . . . A 36 LEU HD21 . 36363 1 264 . 1 . 1 36 36 LEU HD22 H 1 -0.002 0.002 . . . . . . A 36 LEU HD22 . 36363 1 265 . 1 . 1 36 36 LEU HD23 H 1 -0.002 0.002 . . . . . . A 36 LEU HD23 . 36363 1 266 . 1 . 1 37 37 TRP H H 1 8.657 0.002 . 1 . . . . A 37 TRP H . 36363 1 267 . 1 . 1 37 37 TRP HA H 1 4.415 0 . 1 . . . . A 37 TRP HA . 36363 1 268 . 1 . 1 37 37 TRP HB2 H 1 3.024 0.001 . . . . . . A 37 TRP HB2 . 36363 1 269 . 1 . 1 37 37 TRP HB3 H 1 2.87 0 . . . . . . A 37 TRP HB3 . 36363 1 270 . 1 . 1 37 37 TRP HD1 H 1 6.996 0.001 . 1 . . . . A 37 TRP HD1 . 36363 1 271 . 1 . 1 37 37 TRP HE3 H 1 7.483 0.001 . 1 . . . . A 37 TRP HE3 . 36363 1 272 . 1 . 1 37 37 TRP HE1 H 1 10.051 0.002 . 1 . . . . A 37 TRP HE1 . 36363 1 273 . 1 . 1 37 37 TRP HZ3 H 1 7.158 0.004 . 1 . . . . A 37 TRP HZ3 . 36363 1 274 . 1 . 1 37 37 TRP HZ2 H 1 7.488 0.002 . 1 . . . . A 37 TRP HZ2 . 36363 1 275 . 1 . 1 37 37 TRP HH2 H 1 7.251 0.005 . 1 . . . . A 37 TRP HH2 . 36363 1 276 . 1 . 1 38 38 TYR H H 1 7.399 0.001 . 1 . . . . A 38 TYR H . 36363 1 277 . 1 . 1 38 38 TYR HA H 1 4.395 0.002 . 1 . . . . A 38 TYR HA . 36363 1 278 . 1 . 1 38 38 TYR HB2 H 1 2.746 0.001 . . . . . . A 38 TYR HB2 . 36363 1 279 . 1 . 1 38 38 TYR HB3 H 1 2.746 0.001 . . . . . . A 38 TYR HB3 . 36363 1 280 . 1 . 1 38 38 TYR HD1 H 1 6.895 0.002 . . . . . . A 38 TYR HD1 . 36363 1 281 . 1 . 1 38 38 TYR HD2 H 1 6.895 0.002 . . . . . . A 38 TYR HD2 . 36363 1 282 . 1 . 1 38 38 TYR HE1 H 1 6.688 0.002 . . . . . . A 38 TYR HE1 . 36363 1 283 . 1 . 1 38 38 TYR HE2 H 1 6.688 0.002 . . . . . . A 38 TYR HE2 . 36363 1 284 . 1 . 1 39 39 LYS H H 1 7.794 0.003 . 1 . . . . A 39 LYS H . 36363 1 285 . 1 . 1 39 39 LYS HA H 1 4.032 0 . 1 . . . . A 39 LYS HA . 36363 1 286 . 1 . 1 39 39 LYS HB2 H 1 1.717 0 . . . . . . A 39 LYS HB2 . 36363 1 287 . 1 . 1 39 39 LYS HB3 H 1 1.717 0 . . . . . . A 39 LYS HB3 . 36363 1 288 . 1 . 1 39 39 LYS HG2 H 1 1.21 0 . . . . . . A 39 LYS HG2 . 36363 1 289 . 1 . 1 39 39 LYS HG3 H 1 1.21 0 . . . . . . A 39 LYS HG3 . 36363 1 290 . 1 . 1 39 39 LYS HD2 H 1 1.576 0 . . . . . . A 39 LYS HD2 . 36363 1 291 . 1 . 1 39 39 LYS HD3 H 1 1.576 0 . . . . . . A 39 LYS HD3 . 36363 1 292 . 1 . 1 39 39 LYS HE2 H 1 2.883 0 . . . . . . A 39 LYS HE2 . 36363 1 293 . 1 . 1 39 39 LYS HE3 H 1 2.883 0 . . . . . . A 39 LYS HE3 . 36363 1 stop_ save_