################################### # 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 19296 _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 . _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' . . . 19296 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 1 1 LYS HA H 1 4.041 0.005 . 1 . . . A 1 LYS HA . 19296 1 2 . 1 1 1 1 LYS HB2 H 1 1.912 0.005 . 2 . . . A 1 LYS HB2 . 19296 1 3 . 1 1 1 1 LYS HB3 H 1 1.912 0.005 . 2 . . . A 1 LYS HB3 . 19296 1 4 . 1 1 1 1 LYS HG2 H 1 1.451 0.005 . 2 . . . A 1 LYS HG2 . 19296 1 5 . 1 1 1 1 LYS HG3 H 1 1.516 0.005 . 2 . . . A 1 LYS HG3 . 19296 1 6 . 1 1 1 1 LYS HD2 H 1 1.736 0.005 . 2 . . . A 1 LYS HD2 . 19296 1 7 . 1 1 1 1 LYS HD3 H 1 1.736 0.005 . 2 . . . A 1 LYS HD3 . 19296 1 8 . 1 1 1 1 LYS HE2 H 1 3.036 0.005 . 2 . . . A 1 LYS HE2 . 19296 1 9 . 1 1 1 1 LYS HE3 H 1 3.036 0.005 . 2 . . . A 1 LYS HE3 . 19296 1 10 . 1 1 2 2 LEU HA H 1 4.617 0.005 . 1 . . . A 2 LEU HA . 19296 1 11 . 1 1 2 2 LEU HB2 H 1 1.417 0.005 . 2 . . . A 2 LEU HB2 . 19296 1 12 . 1 1 2 2 LEU HB3 H 1 1.823 0.005 . 2 . . . A 2 LEU HB3 . 19296 1 13 . 1 1 2 2 LEU HG H 1 1.922 0.005 . 1 . . . A 2 LEU HG . 19296 1 14 . 1 1 2 2 LEU HD11 H 1 0.797 0.005 . 2 . . . A 2 LEU HD11 . 19296 1 15 . 1 1 2 2 LEU HD12 H 1 0.797 0.005 . 2 . . . A 2 LEU HD12 . 19296 1 16 . 1 1 2 2 LEU HD13 H 1 0.797 0.005 . 2 . . . A 2 LEU HD13 . 19296 1 17 . 1 1 2 2 LEU HD21 H 1 1.075 0.005 . 2 . . . A 2 LEU HD21 . 19296 1 18 . 1 1 2 2 LEU HD22 H 1 1.075 0.005 . 2 . . . A 2 LEU HD22 . 19296 1 19 . 1 1 2 2 LEU HD23 H 1 1.075 0.005 . 2 . . . A 2 LEU HD23 . 19296 1 20 . 1 1 3 3 PRO HA H 1 4.851 0.005 . 1 . . . A 3 PRO HA . 19296 1 21 . 1 1 3 3 PRO HB2 H 1 1.637 0.005 . 2 . . . A 3 PRO HB2 . 19296 1 22 . 1 1 3 3 PRO HB3 H 1 2.609 0.005 . 2 . . . A 3 PRO HB3 . 19296 1 23 . 1 1 3 3 PRO HG2 H 1 1.786 0.005 . 2 . . . A 3 PRO HG2 . 19296 1 24 . 1 1 3 3 PRO HG3 H 1 2.001 0.005 . 2 . . . A 3 PRO HG3 . 19296 1 25 . 1 1 3 3 PRO HD2 H 1 3.037 0.005 . 2 . . . A 3 PRO HD2 . 19296 1 26 . 1 1 3 3 PRO HD3 H 1 3.708 0.005 . 2 . . . A 3 PRO HD3 . 19296 1 27 . 1 1 4 4 PRO HA H 1 4.349 0.005 . 1 . . . A 4 PRO HA . 19296 1 28 . 1 1 4 4 PRO HB2 H 1 1.877 0.005 . 2 . . . A 4 PRO HB2 . 19296 1 29 . 1 1 4 4 PRO HB3 H 1 2.345 0.005 . 2 . . . A 4 PRO HB3 . 19296 1 30 . 1 1 4 4 PRO HG2 H 1 2.064 0.005 . 2 . . . A 4 PRO HG2 . 19296 1 31 . 1 1 4 4 PRO HG3 H 1 2.157 0.005 . 2 . . . A 4 PRO HG3 . 19296 1 32 . 1 1 4 4 PRO HD2 H 1 3.640 0.005 . 2 . . . A 4 PRO HD2 . 19296 1 33 . 1 1 4 4 PRO HD3 H 1 3.923 0.005 . 2 . . . A 4 PRO HD3 . 19296 1 34 . 1 1 5 5 GLY H H 1 8.816 0.005 . 1 . . . A 5 GLY H . 19296 1 35 . 1 1 5 5 GLY HA2 H 1 3.277 0.005 . 2 . . . A 5 GLY HA2 . 19296 1 36 . 1 1 5 5 GLY HA3 H 1 4.018 0.005 . 2 . . . A 5 GLY HA3 . 19296 1 37 . 1 1 6 6 TRP H H 1 7.378 0.005 . 1 . . . A 6 TRP H . 19296 1 38 . 1 1 6 6 TRP HA H 1 5.209 0.005 . 1 . . . A 6 TRP HA . 19296 1 39 . 1 1 6 6 TRP HB2 H 1 2.947 0.005 . 2 . . . A 6 TRP HB2 . 19296 1 40 . 1 1 6 6 TRP HB3 H 1 3.239 0.005 . 2 . . . A 6 TRP HB3 . 19296 1 41 . 1 1 6 6 TRP HD1 H 1 6.947 0.005 . 1 . . . A 6 TRP HD1 . 19296 1 42 . 1 1 6 6 TRP HE1 H 1 10.626 0.005 . 1 . . . A 6 TRP HE1 . 19296 1 43 . 1 1 6 6 TRP HE3 H 1 7.368 0.005 . 1 . . . A 6 TRP HE3 . 19296 1 44 . 1 1 6 6 TRP HZ2 H 1 7.440 0.005 . 1 . . . A 6 TRP HZ2 . 19296 1 45 . 1 1 6 6 TRP HZ3 H 1 6.917 0.005 . 1 . . . A 6 TRP HZ3 . 19296 1 46 . 1 1 6 6 TRP HH2 H 1 7.001 0.005 . 1 . . . A 6 TRP HH2 . 19296 1 47 . 1 1 7 7 GLU H H 1 9.787 0.005 . 1 . . . A 7 GLU H . 19296 1 48 . 1 1 7 7 GLU HA H 1 4.804 0.005 . 1 . . . A 7 GLU HA . 19296 1 49 . 1 1 7 7 GLU HB2 H 1 2.186 0.005 . 2 . . . A 7 GLU HB2 . 19296 1 50 . 1 1 7 7 GLU HB3 H 1 2.224 0.005 . 2 . . . A 7 GLU HB3 . 19296 1 51 . 1 1 7 7 GLU HG2 H 1 2.327 0.005 . 2 . . . A 7 GLU HG2 . 19296 1 52 . 1 1 7 7 GLU HG3 H 1 2.471 0.005 . 2 . . . A 7 GLU HG3 . 19296 1 53 . 1 1 8 8 LYS H H 1 8.985 0.005 . 1 . . . A 8 LYS H . 19296 1 54 . 1 1 8 8 LYS HA H 1 4.299 0.005 . 1 . . . A 8 LYS HA . 19296 1 55 . 1 1 8 8 LYS HB2 H 1 1.617 0.005 . 2 . . . A 8 LYS HB2 . 19296 1 56 . 1 1 8 8 LYS HB3 H 1 1.778 0.005 . 2 . . . A 8 LYS HB3 . 19296 1 57 . 1 1 8 8 LYS HG2 H 1 0.967 0.005 . 2 . . . A 8 LYS HG2 . 19296 1 58 . 1 1 8 8 LYS HG3 H 1 1.060 0.005 . 2 . . . A 8 LYS HG3 . 19296 1 59 . 1 1 8 8 LYS HD2 H 1 1.677 0.005 . 2 . . . A 8 LYS HD2 . 19296 1 60 . 1 1 8 8 LYS HD3 H 1 1.725 0.005 . 2 . . . A 8 LYS HD3 . 19296 1 61 . 1 1 8 8 LYS HE2 H 1 2.918 0.005 . 2 . . . A 8 LYS HE2 . 19296 1 62 . 1 1 8 8 LYS HE3 H 1 2.918 0.005 . 2 . . . A 8 LYS HE3 . 19296 1 63 . 1 1 9 9 ARG H H 1 8.843 0.005 . 1 . . . A 9 ARG H . 19296 1 64 . 1 1 9 9 ARG HA H 1 4.395 0.005 . 1 . . . A 9 ARG HA . 19296 1 65 . 1 1 9 9 ARG HB2 H 1 -0.083 0.005 . 2 . . . A 9 ARG HB2 . 19296 1 66 . 1 1 9 9 ARG HB3 H 1 -0.083 0.005 . 2 . . . A 9 ARG HB3 . 19296 1 67 . 1 1 9 9 ARG HG2 H 1 1.186 0.005 . 2 . . . A 9 ARG HG2 . 19296 1 68 . 1 1 9 9 ARG HG3 H 1 1.343 0.005 . 2 . . . A 9 ARG HG3 . 19296 1 69 . 1 1 9 9 ARG HD2 H 1 2.510 0.005 . 2 . . . A 9 ARG HD2 . 19296 1 70 . 1 1 9 9 ARG HD3 H 1 2.789 0.005 . 2 . . . A 9 ARG HD3 . 19296 1 71 . 1 1 9 9 ARG HE H 1 7.003 0.005 . 1 . . . A 9 ARG HE . 19296 1 72 . 1 1 10 10 MET H H 1 7.979 0.005 . 1 . . . A 10 MET H . 19296 1 73 . 1 1 10 10 MET HA H 1 5.117 0.005 . 1 . . . A 10 MET HA . 19296 1 74 . 1 1 10 10 MET HB2 H 1 1.783 0.005 . 2 . . . A 10 MET HB2 . 19296 1 75 . 1 1 10 10 MET HB3 H 1 1.783 0.005 . 2 . . . A 10 MET HB3 . 19296 1 76 . 1 1 10 10 MET HG2 H 1 2.199 0.005 . 2 . . . A 10 MET HG2 . 19296 1 77 . 1 1 10 10 MET HG3 H 1 2.275 0.005 . 2 . . . A 10 MET HG3 . 19296 1 78 . 1 1 10 10 MET HE1 H 1 2.014 0.005 . 1 . . . A 10 MET HE1 . 19296 1 79 . 1 1 10 10 MET HE2 H 1 2.014 0.005 . 1 . . . A 10 MET HE2 . 19296 1 80 . 1 1 10 10 MET HE3 H 1 2.014 0.005 . 1 . . . A 10 MET HE3 . 19296 1 81 . 1 1 11 11 PHE H H 1 9.175 0.005 . 1 . . . A 11 PHE H . 19296 1 82 . 1 1 11 11 PHE HA H 1 4.751 0.005 . 1 . . . A 11 PHE HA . 19296 1 83 . 1 1 11 11 PHE HB2 H 1 3.236 0.005 . 2 . . . A 11 PHE HB2 . 19296 1 84 . 1 1 11 11 PHE HB3 H 1 3.345 0.005 . 2 . . . A 11 PHE HB3 . 19296 1 85 . 1 1 11 11 PHE HD1 H 1 7.354 0.005 . 3 . . . A 11 PHE HD1 . 19296 1 86 . 1 1 11 11 PHE HD2 H 1 7.354 0.005 . 3 . . . A 11 PHE HD2 . 19296 1 87 . 1 1 11 11 PHE HE1 H 1 6.978 0.005 . 3 . . . A 11 PHE HE1 . 19296 1 88 . 1 1 11 11 PHE HE2 H 1 6.978 0.005 . 3 . . . A 11 PHE HE2 . 19296 1 89 . 1 1 11 11 PHE HZ H 1 6.627 0.005 . 1 . . . A 11 PHE HZ . 19296 1 90 . 1 1 12 12 ARG H H 1 9.179 0.005 . 1 . . . A 12 ARG H . 19296 1 91 . 1 1 12 12 ARG HA H 1 4.035 0.005 . 1 . . . A 12 ARG HA . 19296 1 92 . 1 1 12 12 ARG HB2 H 1 1.923 0.005 . 2 . . . A 12 ARG HB2 . 19296 1 93 . 1 1 12 12 ARG HB3 H 1 1.923 0.005 . 2 . . . A 12 ARG HB3 . 19296 1 94 . 1 1 12 12 ARG HG2 H 1 1.693 0.005 . 2 . . . A 12 ARG HG2 . 19296 1 95 . 1 1 12 12 ARG HG3 H 1 1.723 0.005 . 2 . . . A 12 ARG HG3 . 19296 1 96 . 1 1 12 12 ARG HD2 H 1 3.230 0.005 . 2 . . . A 12 ARG HD2 . 19296 1 97 . 1 1 12 12 ARG HD3 H 1 3.230 0.005 . 2 . . . A 12 ARG HD3 . 19296 1 98 . 1 1 12 12 ARG HE H 1 7.378 0.005 . 1 . . . A 12 ARG HE . 19296 1 99 . 1 1 13 13 SER H H 1 8.657 0.005 . 1 . . . A 13 SER H . 19296 1 100 . 1 1 13 13 SER HA H 1 4.932 0.005 . 1 . . . A 13 SER HA . 19296 1 101 . 1 1 13 13 SER HB2 H 1 3.892 0.005 . 2 . . . A 13 SER HB2 . 19296 1 102 . 1 1 13 13 SER HB3 H 1 4.155 0.005 . 2 . . . A 13 SER HB3 . 19296 1 103 . 1 1 14 14 ASN H H 1 9.182 0.005 . 1 . . . A 14 ASN H . 19296 1 104 . 1 1 14 14 ASN HA H 1 4.933 0.005 . 1 . . . A 14 ASN HA . 19296 1 105 . 1 1 14 14 ASN HB2 H 1 2.717 0.005 . 2 . . . A 14 ASN HB2 . 19296 1 106 . 1 1 14 14 ASN HB3 H 1 3.152 0.005 . 2 . . . A 14 ASN HB3 . 19296 1 107 . 1 1 14 14 ASN HD21 H 1 8.661 0.005 . 2 . . . A 14 ASN HD21 . 19296 1 108 . 1 1 14 14 ASN HD22 H 1 8.661 0.005 . 2 . . . A 14 ASN HD2 . 19296 1 109 . 1 1 15 15 GLY H H 1 8.416 0.005 . 1 . . . A 15 GLY H . 19296 1 110 . 1 1 15 15 GLY HA2 H 1 3.999 0.005 . 2 . . . A 15 GLY HA2 . 19296 1 111 . 1 1 15 15 GLY HA3 H 1 4.150 0.005 . 2 . . . A 15 GLY HA3 . 19296 1 112 . 1 1 16 16 THR H H 1 8.126 0.005 . 1 . . . A 16 THR H . 19296 1 113 . 1 1 16 16 THR HA H 1 4.387 0.005 . 1 . . . A 16 THR HA . 19296 1 114 . 1 1 16 16 THR HB H 1 4.409 0.005 . 1 . . . A 16 THR HB . 19296 1 115 . 1 1 16 16 THR HG21 H 1 1.546 0.005 . 1 . . . A 16 THR HG21 . 19296 1 116 . 1 1 16 16 THR HG22 H 1 1.546 0.005 . 1 . . . A 16 THR HG22 . 19296 1 117 . 1 1 16 16 THR HG23 H 1 1.546 0.005 . 1 . . . A 16 THR HG23 . 19296 1 118 . 1 1 17 17 VAL H H 1 8.697 0.005 . 1 . . . A 17 VAL H . 19296 1 119 . 1 1 17 17 VAL HA H 1 4.635 0.005 . 1 . . . A 17 VAL HA . 19296 1 120 . 1 1 17 17 VAL HB H 1 2.005 0.005 . 1 . . . A 17 VAL HB . 19296 1 121 . 1 1 17 17 VAL HG11 H 1 0.795 0.005 . 2 . . . A 17 VAL HG11 . 19296 1 122 . 1 1 17 17 VAL HG12 H 1 0.795 0.005 . 2 . . . A 17 VAL HG12 . 19296 1 123 . 1 1 17 17 VAL HG13 H 1 0.795 0.005 . 2 . . . A 17 VAL HG13 . 19296 1 124 . 1 1 17 17 VAL HG21 H 1 1.068 0.005 . 2 . . . A 17 VAL HG21 . 19296 1 125 . 1 1 17 17 VAL HG22 H 1 1.068 0.005 . 2 . . . A 17 VAL HG22 . 19296 1 126 . 1 1 17 17 VAL HG23 H 1 1.068 0.005 . 2 . . . A 17 VAL HG23 . 19296 1 127 . 1 1 18 18 TYR H H 1 8.572 0.005 . 1 . . . A 18 TYR H . 19296 1 128 . 1 1 18 18 TYR HA H 1 4.791 0.005 . 1 . . . A 18 TYR HA . 19296 1 129 . 1 1 18 18 TYR HB2 H 1 2.611 0.005 . 2 . . . A 18 TYR HB2 . 19296 1 130 . 1 1 18 18 TYR HB3 H 1 2.903 0.005 . 2 . . . A 18 TYR HB3 . 19296 1 131 . 1 1 18 18 TYR HD1 H 1 6.555 0.005 . 3 . . . A 18 TYR HD1 . 19296 1 132 . 1 1 18 18 TYR HD2 H 1 6.555 0.005 . 3 . . . A 18 TYR HD2 . 19296 1 133 . 1 1 18 18 TYR HE1 H 1 5.836 0.005 . 3 . . . A 18 TYR HE1 . 19296 1 134 . 1 1 18 18 TYR HE2 H 1 5.836 0.005 . 3 . . . A 18 TYR HE2 . 19296 1 135 . 1 1 19 19 TYR H H 1 9.109 0.005 . 1 . . . A 19 TYR H . 19296 1 136 . 1 1 19 19 TYR HA H 1 5.244 0.005 . 1 . . . A 19 TYR HA . 19296 1 137 . 1 1 19 19 TYR HB2 H 1 2.643 0.005 . 2 . . . A 19 TYR HB2 . 19296 1 138 . 1 1 19 19 TYR HB3 H 1 2.895 0.005 . 2 . . . A 19 TYR HB3 . 19296 1 139 . 1 1 19 19 TYR HD1 H 1 6.791 0.005 . 3 . . . A 19 TYR HD1 . 19296 1 140 . 1 1 19 19 TYR HD2 H 1 6.791 0.005 . 3 . . . A 19 TYR HD2 . 19296 1 141 . 1 1 19 19 TYR HE1 H 1 6.731 0.005 . 3 . . . A 19 TYR HE1 . 19296 1 142 . 1 1 19 19 TYR HE2 H 1 6.731 0.005 . 3 . . . A 19 TYR HE2 . 19296 1 143 . 1 1 20 20 PHE H H 1 9.340 0.005 . 1 . . . A 20 PHE H . 19296 1 144 . 1 1 20 20 PHE HA H 1 5.592 0.005 . 1 . . . A 20 PHE HA . 19296 1 145 . 1 1 20 20 PHE HB2 H 1 2.511 0.005 . 2 . . . A 20 PHE HB2 . 19296 1 146 . 1 1 20 20 PHE HB3 H 1 2.847 0.005 . 2 . . . A 20 PHE HB3 . 19296 1 147 . 1 1 20 20 PHE HD1 H 1 6.886 0.005 . 3 . . . A 20 PHE HD1 . 19296 1 148 . 1 1 20 20 PHE HD2 H 1 6.886 0.005 . 3 . . . A 20 PHE HD2 . 19296 1 149 . 1 1 20 20 PHE HE1 H 1 6.993 0.005 . 3 . . . A 20 PHE HE1 . 19296 1 150 . 1 1 20 20 PHE HE2 H 1 6.993 0.005 . 3 . . . A 20 PHE HE2 . 19296 1 151 . 1 1 20 20 PHE HZ H 1 7.297 0.005 . 1 . . . A 20 PHE HZ . 19296 1 152 . 1 1 21 21 ASN H H 1 8.152 0.005 . 1 . . . A 21 ASN H . 19296 1 153 . 1 1 21 21 ASN HA H 1 4.412 0.005 . 1 . . . A 21 ASN HA . 19296 1 154 . 1 1 21 21 ASN HB2 H 1 -0.713 0.005 . 2 . . . A 21 ASN HB2 . 19296 1 155 . 1 1 21 21 ASN HB3 H 1 1.978 0.005 . 2 . . . A 21 ASN HB3 . 19296 1 156 . 1 1 21 21 ASN HD21 H 1 6.563 0.005 . 2 . . . A 21 ASN HD21 . 19296 1 157 . 1 1 21 21 ASN HD22 H 1 4.102 0.005 . 2 . . . A 21 ASN HD22 . 19296 1 158 . 1 1 22 22 HIS H H 1 8.181 0.005 . 1 . . . A 22 HIS H . 19296 1 159 . 1 1 22 22 HIS HA H 1 4.126 0.005 . 1 . . . A 22 HIS HA . 19296 1 160 . 1 1 22 22 HIS HB2 H 1 3.068 0.005 . 2 . . . A 22 HIS HB2 . 19296 1 161 . 1 1 22 22 HIS HB3 H 1 3.299 0.005 . 2 . . . A 22 HIS HB3 . 19296 1 162 . 1 1 22 22 HIS HD2 H 1 7.036 0.005 . 1 . . . A 22 HIS HD2 . 19296 1 163 . 1 1 22 22 HIS HE1 H 1 8.190 0.005 . 1 . . . A 22 HIS HE1 . 19296 1 164 . 1 1 23 23 ILE H H 1 8.321 0.005 . 1 . . . A 23 ILE H . 19296 1 165 . 1 1 23 23 ILE HA H 1 3.834 0.005 . 1 . . . A 23 ILE HA . 19296 1 166 . 1 1 23 23 ILE HB H 1 1.992 0.005 . 1 . . . A 23 ILE HB . 19296 1 167 . 1 1 23 23 ILE HG12 H 1 0.971 0.005 . 2 . . . A 23 ILE HG12 . 19296 1 168 . 1 1 23 23 ILE HG13 H 1 1.272 0.005 . 2 . . . A 23 ILE HG13 . 19296 1 169 . 1 1 23 23 ILE HG21 H 1 0.771 0.005 . 1 . . . A 23 ILE HG21 . 19296 1 170 . 1 1 23 23 ILE HG22 H 1 0.771 0.005 . 1 . . . A 23 ILE HG22 . 19296 1 171 . 1 1 23 23 ILE HG23 H 1 0.771 0.005 . 1 . . . A 23 ILE HG23 . 19296 1 172 . 1 1 23 23 ILE HD11 H 1 0.721 0.005 . 1 . . . A 23 ILE HD11 . 19296 1 173 . 1 1 23 23 ILE HD12 H 1 0.721 0.005 . 1 . . . A 23 ILE HD12 . 19296 1 174 . 1 1 23 23 ILE HD13 H 1 0.721 0.005 . 1 . . . A 23 ILE HD13 . 19296 1 175 . 1 1 24 24 THR H H 1 7.386 0.005 . 1 . . . A 24 THR H . 19296 1 176 . 1 1 24 24 THR HA H 1 4.093 0.005 . 1 . . . A 24 THR HA . 19296 1 177 . 1 1 24 24 THR HB H 1 4.227 0.005 . 1 . . . A 24 THR HB . 19296 1 178 . 1 1 24 24 THR HG1 H 1 5.056 0.005 . 1 . . . A 24 THR HG1 . 19296 1 179 . 1 1 24 24 THR HG21 H 1 0.927 0.005 . 1 . . . A 24 THR HG21 . 19296 1 180 . 1 1 24 24 THR HG22 H 1 0.927 0.005 . 1 . . . A 24 THR HG22 . 19296 1 181 . 1 1 24 24 THR HG23 H 1 0.927 0.005 . 1 . . . A 24 THR HG23 . 19296 1 182 . 1 1 25 25 ASN H H 1 8.077 0.005 . 1 . . . A 25 ASN H . 19296 1 183 . 1 1 25 25 ASN HA H 1 4.107 0.005 . 1 . . . A 25 ASN HA . 19296 1 184 . 1 1 25 25 ASN HB2 H 1 2.925 0.005 . 2 . . . A 25 ASN HB2 . 19296 1 185 . 1 1 25 25 ASN HB3 H 1 3.127 0.005 . 2 . . . A 25 ASN HB3 . 19296 1 186 . 1 1 25 25 ASN HD21 H 1 7.491 0.005 . 2 . . . A 25 ASN HD21 . 19296 1 187 . 1 1 25 25 ASN HD22 H 1 6.886 0.005 . 2 . . . A 25 ASN HD22 . 19296 1 188 . 1 1 26 26 ALA H H 1 7.130 0.005 . 1 . . . A 26 ALA H . 19296 1 189 . 1 1 26 26 ALA HA H 1 4.433 0.005 . 1 . . . A 26 ALA HA . 19296 1 190 . 1 1 26 26 ALA HB1 H 1 1.251 0.005 . 1 . . . A 26 ALA HB1 . 19296 1 191 . 1 1 26 26 ALA HB2 H 1 1.251 0.005 . 1 . . . A 26 ALA HB2 . 19296 1 192 . 1 1 26 26 ALA HB3 H 1 1.251 0.005 . 1 . . . A 26 ALA HB3 . 19296 1 193 . 1 1 27 27 SER H H 1 8.392 0.005 . 1 . . . A 27 SER H . 19296 1 194 . 1 1 27 27 SER HA H 1 6.045 0.005 . 1 . . . A 27 SER HA . 19296 1 195 . 1 1 27 27 SER HB2 H 1 3.882 0.005 . 2 . . . A 27 SER HB2 . 19296 1 196 . 1 1 27 27 SER HB3 H 1 3.942 0.005 . 2 . . . A 27 SER HB3 . 19296 1 197 . 1 1 28 28 GLN H H 1 9.455 0.005 . 1 . . . A 28 GLN H . 19296 1 198 . 1 1 28 28 GLN HA H 1 4.952 0.005 . 1 . . . A 28 GLN HA . 19296 1 199 . 1 1 28 28 GLN HB2 H 1 2.228 0.005 . 2 . . . A 28 GLN HB2 . 19296 1 200 . 1 1 28 28 GLN HB3 H 1 2.228 0.005 . 2 . . . A 28 GLN HB3 . 19296 1 201 . 1 1 28 28 GLN HG2 H 1 2.560 0.005 . 2 . . . A 28 GLN HG2 . 19296 1 202 . 1 1 28 28 GLN HG3 H 1 2.560 0.005 . 2 . . . A 28 GLN HG3 . 19296 1 203 . 1 1 28 28 GLN HE21 H 1 7.447 0.005 . 2 . . . A 28 GLN HE21 . 19296 1 204 . 1 1 28 28 GLN HE22 H 1 6.729 0.005 . 2 . . . A 28 GLN HE22 . 19296 1 205 . 1 1 29 29 PHE H H 1 8.988 0.005 . 1 . . . A 29 PHE H . 19296 1 206 . 1 1 29 29 PHE HA H 1 4.850 0.005 . 1 . . . A 29 PHE HA . 19296 1 207 . 1 1 29 29 PHE HB2 H 1 3.029 0.005 . 2 . . . A 29 PHE HB2 . 19296 1 208 . 1 1 29 29 PHE HB3 H 1 3.472 0.005 . 2 . . . A 29 PHE HB3 . 19296 1 209 . 1 1 29 29 PHE HD1 H 1 7.678 0.005 . 3 . . . A 29 PHE HD1 . 19296 1 210 . 1 1 29 29 PHE HD2 H 1 7.678 0.005 . 3 . . . A 29 PHE HD2 . 19296 1 211 . 1 1 29 29 PHE HE1 H 1 7.389 0.005 . 3 . . . A 29 PHE HE1 . 19296 1 212 . 1 1 29 29 PHE HE2 H 1 7.389 0.005 . 3 . . . A 29 PHE HE2 . 19296 1 213 . 1 1 29 29 PHE HZ H 1 7.330 0.005 . 1 . . . A 29 PHE HZ . 19296 1 214 . 1 1 30 30 GLU H H 1 8.156 0.005 . 1 . . . A 30 GLU H . 19296 1 215 . 1 1 30 30 GLU HA H 1 4.338 0.005 . 1 . . . A 30 GLU HA . 19296 1 216 . 1 1 30 30 GLU HB2 H 1 1.841 0.005 . 2 . . . A 30 GLU HB2 . 19296 1 217 . 1 1 30 30 GLU HB3 H 1 1.887 0.005 . 2 . . . A 30 GLU HB3 . 19296 1 218 . 1 1 30 30 GLU HG2 H 1 2.242 0.005 . 2 . . . A 30 GLU HG2 . 19296 1 219 . 1 1 30 30 GLU HG3 H 1 2.312 0.005 . 2 . . . A 30 GLU HG3 . 19296 1 220 . 1 1 31 31 ARG H H 1 8.605 0.005 . 1 . . . A 31 ARG H . 19296 1 221 . 1 1 31 31 ARG HA H 1 2.663 0.005 . 1 . . . A 31 ARG HA . 19296 1 222 . 1 1 31 31 ARG HB2 H 1 1.377 0.005 . 2 . . . A 31 ARG HB2 . 19296 1 223 . 1 1 31 31 ARG HB3 H 1 1.377 0.005 . 2 . . . A 31 ARG HB3 . 19296 1 224 . 1 1 31 31 ARG HG2 H 1 0.936 0.005 . 2 . . . A 31 ARG HG2 . 19296 1 225 . 1 1 31 31 ARG HG3 H 1 1.194 0.005 . 2 . . . A 31 ARG HG3 . 19296 1 226 . 1 1 31 31 ARG HD2 H 1 3.011 0.005 . 2 . . . A 31 ARG HD2 . 19296 1 227 . 1 1 31 31 ARG HD3 H 1 3.011 0.005 . 2 . . . A 31 ARG HD3 . 19296 1 228 . 1 1 31 31 ARG HE H 1 7.451 0.005 . 1 . . . A 31 ARG HE . 19296 1 229 . 1 1 32 32 PRO HA H 1 3.879 0.005 . 1 . . . A 32 PRO HA . 19296 1 230 . 1 1 32 32 PRO HB2 H 1 0.697 0.005 . 2 . . . A 32 PRO HB2 . 19296 1 231 . 1 1 32 32 PRO HB3 H 1 0.810 0.005 . 2 . . . A 32 PRO HB3 . 19296 1 232 . 1 1 32 32 PRO HG2 H 1 -0.093 0.005 . 2 . . . A 32 PRO HG2 . 19296 1 233 . 1 1 32 32 PRO HG3 H 1 0.532 0.005 . 2 . . . A 32 PRO HG3 . 19296 1 234 . 1 1 32 32 PRO HD2 H 1 2.222 0.005 . 2 . . . A 32 PRO HD2 . 19296 1 235 . 1 1 32 32 PRO HD3 H 1 2.428 0.005 . 2 . . . A 32 PRO HD3 . 19296 1 236 . 1 1 33 33 SER H H 1 8.237 0.005 . 1 . . . A 33 SER H . 19296 1 237 . 1 1 33 33 SER HA H 1 4.289 0.005 . 1 . . . A 33 SER HA . 19296 1 238 . 1 1 33 33 SER HB2 H 1 3.724 0.005 . 2 . . . A 33 SER HB2 . 19296 1 239 . 1 1 33 33 SER HB3 H 1 3.785 0.005 . 2 . . . A 33 SER HB3 . 19296 1 240 . 1 1 34 34 GLY H H 1 7.977 0.005 . 1 . . . A 34 GLY H . 19296 1 241 . 1 1 34 34 GLY HA2 H 1 3.711 0.005 . 1 . . . A 34 GLY HA2 . 19296 1 242 . 1 1 34 34 GLY HA3 H 1 3.793 0.005 . 2 . . . A 34 GLY HA3 . 19296 1 243 . 2 2 1 1 NAG H1 H 1 4.762 0.005 . 1 . . . A 101 NAG H1 . 19296 1 244 . 2 2 1 1 NAG H2 H 1 3.614 0.005 . 1 . . . A 101 NAG H2 . 19296 1 245 . 2 2 1 1 NAG H3 H 1 3.145 0.005 . 1 . . . A 101 NAG H3 . 19296 1 246 . 2 2 1 1 NAG H4 H 1 3.336 0.005 . 1 . . . A 101 NAG H4 . 19296 1 247 . 2 2 1 1 NAG H5 H 1 1.882 0.005 . 1 . . . A 101 NAG H5 . 19296 1 248 . 2 2 1 1 NAG H61 H 1 2.993 0.005 . 2 . . . A 101 NAG H61 . 19296 1 249 . 2 2 1 1 NAG H62 H 1 3.165 0.005 . 2 . . . A 101 NAG H62 . 19296 1 250 . 2 2 1 1 NAG H83 H 1 1.934 0.005 . 1 . . . A 101 NAG H83 . 19296 1 251 . 2 2 1 1 NAG HN2 H 1 7.950 0.005 . 1 . . . A 101 NAG HN2 . 19296 1 stop_ save_