################################### # 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 18787 _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-15N HSQC' . . . 18787 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 ALA HA H 1 3.780 0.004 . 1 . . . A 1 ALA HA . 18787 1 2 . 1 1 1 1 ALA HB1 H 1 1.255 0.004 . 1 . . . A 1 ALA HB1 . 18787 1 3 . 1 1 1 1 ALA HB2 H 1 1.255 0.004 . 1 . . . A 1 ALA HB2 . 18787 1 4 . 1 1 1 1 ALA HB3 H 1 1.255 0.004 . 1 . . . A 1 ALA HB3 . 18787 1 5 . 1 1 2 2 ASP HA H 1 4.814 0.002 . 1 . . . A 2 ASP HA . 18787 1 6 . 1 1 2 2 ASP HB2 H 1 3.855 0.002 . 1 . . . A 2 ASP HB2 . 18787 1 7 . 1 1 2 2 ASP HB3 H 1 2.267 0.004 . 1 . . . A 2 ASP HB3 . 18787 1 8 . 1 1 3 3 ASP H H 1 7.358 0.004 . 1 . . . A 3 ASP H . 18787 1 9 . 1 1 3 3 ASP HA H 1 4.773 0.001 . 1 . . . A 3 ASP HA . 18787 1 10 . 1 1 3 3 ASP HB2 H 1 2.025 0.005 . 1 . . . A 3 ASP HB2 . 18787 1 11 . 1 1 3 3 ASP HB3 H 1 2.099 0.003 . 1 . . . A 3 ASP HB3 . 18787 1 12 . 1 1 3 3 ASP N N 15 117.096 0.000 . 1 . . . A 3 ASP N . 18787 1 13 . 1 1 4 4 ILE H H 1 8.157 0.005 . 1 . . . A 4 ILE H . 18787 1 14 . 1 1 4 4 ILE HA H 1 3.950 0.003 . 1 . . . A 4 ILE HA . 18787 1 15 . 1 1 4 4 ILE HB H 1 1.007 0.003 . 1 . . . A 4 ILE HB . 18787 1 16 . 1 1 4 4 ILE HG12 H 1 0.147 0.008 . 1 . . . A 4 ILE HG12 . 18787 1 17 . 1 1 4 4 ILE HG13 H 1 -0.018 0.005 . 1 . . . A 4 ILE HG13 . 18787 1 18 . 1 1 4 4 ILE HG21 H 1 0.831 0.004 . 1 . . . A 4 ILE QG2 . 18787 1 19 . 1 1 4 4 ILE HG22 H 1 0.831 0.004 . 1 . . . A 4 ILE QG2 . 18787 1 20 . 1 1 4 4 ILE HG23 H 1 0.831 0.004 . 1 . . . A 4 ILE HG23 . 18787 1 21 . 1 1 4 4 ILE HD11 H 1 -0.893 0.003 . 1 . . . A 4 ILE HD11 . 18787 1 22 . 1 1 4 4 ILE HD12 H 1 -0.893 0.003 . 1 . . . A 4 ILE QD1 . 18787 1 23 . 1 1 4 4 ILE HD13 H 1 -0.893 0.003 . 1 . . . A 4 ILE QD1 . 18787 1 24 . 1 1 4 4 ILE N N 15 121.741 0.000 . 1 . . . A 4 ILE N . 18787 1 25 . 1 1 5 5 VAL H H 1 8.678 0.003 . 1 . . . A 5 VAL H . 18787 1 26 . 1 1 5 5 VAL HA H 1 4.333 0.006 . 1 . . . A 5 VAL HA . 18787 1 27 . 1 1 5 5 VAL HB H 1 1.952 0.006 . 1 . . . A 5 VAL HB . 18787 1 28 . 1 1 5 5 VAL HG11 H 1 0.752 0.004 . 1 . . . A 5 VAL QG1 . 18787 1 29 . 1 1 5 5 VAL HG12 H 1 0.752 0.004 . 1 . . . A 5 VAL QG1 . 18787 1 30 . 1 1 5 5 VAL HG13 H 1 0.752 0.004 . 1 . . . A 5 VAL HG13 . 18787 1 31 . 1 1 5 5 VAL HG21 H 1 0.828 0.002 . 1 . . . A 5 VAL HG21 . 18787 1 32 . 1 1 5 5 VAL HG22 H 1 0.828 0.002 . 1 . . . A 5 VAL QG2 . 18787 1 33 . 1 1 5 5 VAL HG23 H 1 0.828 0.002 . 1 . . . A 5 VAL QG2 . 18787 1 34 . 1 1 5 5 VAL N N 15 127.721 0.000 . 1 . . . A 5 VAL N . 18787 1 35 . 1 1 6 6 LEU H H 1 9.644 0.002 . 1 . . . A 6 LEU H . 18787 1 36 . 1 1 6 6 LEU HA H 1 4.965 0.005 . 1 . . . A 6 LEU HA . 18787 1 37 . 1 1 6 6 LEU HB2 H 1 2.602 0.003 . 1 . . . A 6 LEU HB2 . 18787 1 38 . 1 1 6 6 LEU HB3 H 1 2.256 0.004 . 1 . . . A 6 LEU HB3 . 18787 1 39 . 1 1 6 6 LEU HG H 1 2.169 0.006 . 1 . . . A 6 LEU HG . 18787 1 40 . 1 1 6 6 LEU HD11 H 1 1.819 0.003 . 1 . . . A 6 LEU QD1 . 18787 1 41 . 1 1 6 6 LEU HD12 H 1 1.819 0.003 . 1 . . . A 6 LEU QD1 . 18787 1 42 . 1 1 6 6 LEU HD13 H 1 1.819 0.003 . 1 . . . A 6 LEU HD13 . 18787 1 43 . 1 1 6 6 LEU HD21 H 1 1.485 0.005 . 1 . . . A 6 LEU HD21 . 18787 1 44 . 1 1 6 6 LEU HD22 H 1 1.485 0.005 . 1 . . . A 6 LEU QD2 . 18787 1 45 . 1 1 6 6 LEU HD23 H 1 1.485 0.005 . 1 . . . A 6 LEU QD2 . 18787 1 46 . 1 1 6 6 LEU N N 15 133.376 0.000 . 1 . . . A 6 LEU N . 18787 1 47 . 1 1 7 7 LYS H H 1 8.600 0.003 . 1 . . . A 7 LYS H . 18787 1 48 . 1 1 7 7 LYS HA H 1 4.295 0.003 . 1 . . . A 7 LYS HA . 18787 1 49 . 1 1 7 7 LYS HB2 H 1 1.797 0.003 . 1 . . . A 7 LYS HB2 . 18787 1 50 . 1 1 7 7 LYS HB3 H 1 1.914 0.004 . 1 . . . A 7 LYS HB3 . 18787 1 51 . 1 1 7 7 LYS HG2 H 1 1.533 0.004 . 1 . . . A 7 LYS HG2 . 18787 1 52 . 1 1 7 7 LYS HG3 H 1 1.651 0.003 . 1 . . . A 7 LYS HG3 . 18787 1 53 . 1 1 7 7 LYS HD2 H 1 1.709 0.002 . 1 . . . A 7 LYS HD2 . 18787 1 54 . 1 1 7 7 LYS HD3 H 1 1.777 0.001 . 1 . . . A 7 LYS HD3 . 18787 1 55 . 1 1 7 7 LYS N N 15 123.987 0.000 . 1 . . . A 7 LYS N . 18787 1 56 . 1 1 8 8 ALA H H 1 8.640 0.003 . 1 . . . A 8 ALA H . 18787 1 57 . 1 1 8 8 ALA HA H 1 4.885 0.005 . 1 . . . A 8 ALA HA . 18787 1 58 . 1 1 8 8 ALA HB1 H 1 0.885 0.002 . 1 . . . A 8 ALA HB1 . 18787 1 59 . 1 1 8 8 ALA HB2 H 1 0.885 0.002 . 1 . . . A 8 ALA HB2 . 18787 1 60 . 1 1 8 8 ALA HB3 H 1 0.885 0.002 . 1 . . . A 8 ALA HB3 . 18787 1 61 . 1 1 8 8 ALA N N 15 124.059 0.000 . 1 . . . A 8 ALA N . 18787 1 62 . 1 1 9 9 LYS H H 1 10.291 0.004 . 1 . . . A 9 LYS H . 18787 1 63 . 1 1 9 9 LYS HA H 1 4.010 0.003 . 1 . . . A 9 LYS HA . 18787 1 64 . 1 1 9 9 LYS HB2 H 1 1.919 0.002 . 1 . . . A 9 LYS HB2 . 18787 1 65 . 1 1 9 9 LYS HB3 H 1 1.894 0.002 . 1 . . . A 9 LYS HB3 . 18787 1 66 . 1 1 9 9 LYS HG2 H 1 1.600 0.002 . 1 . . . A 9 LYS HG2 . 18787 1 67 . 1 1 9 9 LYS N N 15 125.221 0.000 . 1 . . . A 9 LYS N . 18787 1 68 . 1 1 10 10 ASN H H 1 8.848 0.002 . 1 . . . A 10 ASN H . 18787 1 69 . 1 1 10 10 ASN HA H 1 4.291 0.004 . 1 . . . A 10 ASN HA . 18787 1 70 . 1 1 10 10 ASN HB2 H 1 1.868 0.004 . 1 . . . A 10 ASN HB2 . 18787 1 71 . 1 1 10 10 ASN HB3 H 1 2.138 0.004 . 1 . . . A 10 ASN HB3 . 18787 1 72 . 1 1 10 10 ASN HD21 H 1 1.127 0.010 . 1 . . . A 10 ASN HD21 . 18787 1 73 . 1 1 10 10 ASN HD22 H 1 5.424 0.003 . 1 . . . A 10 ASN HD22 . 18787 1 74 . 1 1 10 10 ASN N N 15 114.013 0.000 . 1 . . . A 10 ASN N . 18787 1 75 . 1 1 10 10 ASN ND2 N 15 108.979 0.024 . 1 . . . A 10 ASN ND2 . 18787 1 76 . 1 1 11 11 GLY H H 1 6.961 0.004 . 1 . . . A 11 GLY H . 18787 1 77 . 1 1 11 11 GLY HA2 H 1 3.464 0.002 . 1 . . . A 11 GLY HA2 . 18787 1 78 . 1 1 11 11 GLY HA3 H 1 3.095 0.004 . 1 . . . A 11 GLY HA3 . 18787 1 79 . 1 1 11 11 GLY N N 15 110.695 0.000 . 1 . . . A 11 GLY N . 18787 1 80 . 1 1 12 12 ASP H H 1 8.062 0.003 . 1 . . . A 12 ASP H . 18787 1 81 . 1 1 12 12 ASP HA H 1 4.310 0.004 . 1 . . . A 12 ASP HA . 18787 1 82 . 1 1 12 12 ASP HB2 H 1 2.366 0.005 . 1 . . . A 12 ASP HB2 . 18787 1 83 . 1 1 12 12 ASP HB3 H 1 2.288 0.005 . 1 . . . A 12 ASP HB3 . 18787 1 84 . 1 1 12 12 ASP N N 15 129.394 0.000 . 1 . . . A 12 ASP N . 18787 1 85 . 1 1 13 13 VAL H H 1 8.586 0.004 . 1 . . . A 13 VAL H . 18787 1 86 . 1 1 13 13 VAL HA H 1 4.182 0.002 . 1 . . . A 13 VAL HA . 18787 1 87 . 1 1 13 13 VAL HB H 1 2.314 0.006 . 1 . . . A 13 VAL HB . 18787 1 88 . 1 1 13 13 VAL HG11 H 1 1.566 0.002 . 1 . . . A 13 VAL QG1 . 18787 1 89 . 1 1 13 13 VAL HG12 H 1 1.566 0.002 . 1 . . . A 13 VAL QG1 . 18787 1 90 . 1 1 13 13 VAL HG13 H 1 1.566 0.002 . 1 . . . A 13 VAL HG13 . 18787 1 91 . 1 1 13 13 VAL HG21 H 1 -0.891 0.002 . 1 . . . A 13 VAL HG21 . 18787 1 92 . 1 1 13 13 VAL HG22 H 1 -0.891 0.002 . 1 . . . A 13 VAL QG2 . 18787 1 93 . 1 1 13 13 VAL HG23 H 1 -0.891 0.002 . 1 . . . A 13 VAL QG2 . 18787 1 94 . 1 1 13 13 VAL N N 15 121.995 0.000 . 1 . . . A 13 VAL N . 18787 1 95 . 1 1 14 14 LYS H H 1 9.015 0.004 . 1 . . . A 14 LYS H . 18787 1 96 . 1 1 14 14 LYS HA H 1 4.757 0.002 . 1 . . . A 14 LYS HA . 18787 1 97 . 1 1 14 14 LYS HB2 H 1 1.695 0.004 . 1 . . . A 14 LYS HB2 . 18787 1 98 . 1 1 14 14 LYS HB3 H 1 1.851 0.006 . 1 . . . A 14 LYS HB3 . 18787 1 99 . 1 1 14 14 LYS HG2 H 1 0.993 0.005 . 1 . . . A 14 LYS HG2 . 18787 1 100 . 1 1 14 14 LYS HG3 H 1 1.175 0.004 . 1 . . . A 14 LYS HG3 . 18787 1 101 . 1 1 14 14 LYS HD2 H 1 1.862 0.002 . 1 . . . A 14 LYS HD2 . 18787 1 102 . 1 1 14 14 LYS N N 15 129.052 0.000 . 1 . . . A 14 LYS N . 18787 1 103 . 1 1 15 15 LEU H H 1 9.237 0.003 . 1 . . . A 15 LEU H . 18787 1 104 . 1 1 15 15 LEU HA H 1 4.734 0.004 . 1 . . . A 15 LEU HA . 18787 1 105 . 1 1 15 15 LEU HB2 H 1 1.437 0.004 . 1 . . . A 15 LEU HB2 . 18787 1 106 . 1 1 15 15 LEU HB3 H 1 1.834 0.005 . 1 . . . A 15 LEU HB3 . 18787 1 107 . 1 1 15 15 LEU HG H 1 -0.362 0.004 . 1 . . . A 15 LEU HG . 18787 1 108 . 1 1 15 15 LEU HD11 H 1 -1.315 0.003 . 1 . . . A 15 LEU QD1 . 18787 1 109 . 1 1 15 15 LEU HD12 H 1 -1.315 0.003 . 1 . . . A 15 LEU QD1 . 18787 1 110 . 1 1 15 15 LEU HD13 H 1 -1.315 0.003 . 1 . . . A 15 LEU HD13 . 18787 1 111 . 1 1 15 15 LEU HD21 H 1 0.142 0.003 . 1 . . . A 15 LEU HD21 . 18787 1 112 . 1 1 15 15 LEU HD22 H 1 0.142 0.003 . 1 . . . A 15 LEU QD2 . 18787 1 113 . 1 1 15 15 LEU HD23 H 1 0.142 0.003 . 1 . . . A 15 LEU QD2 . 18787 1 114 . 1 1 15 15 LEU N N 15 128.888 0.000 . 1 . . . A 15 LEU N . 18787 1 115 . 1 1 16 16 PRO HA H 1 4.837 0.003 . 1 . . . A 16 PRO HA . 18787 1 116 . 1 1 16 16 PRO HB2 H 1 1.726 0.003 . 1 . . . A 16 PRO HB2 . 18787 1 117 . 1 1 16 16 PRO HB3 H 1 1.774 0.004 . 1 . . . A 16 PRO HB3 . 18787 1 118 . 1 1 16 16 PRO HG2 H 1 1.112 0.005 . 1 . . . A 16 PRO HG2 . 18787 1 119 . 1 1 16 16 PRO HG3 H 1 1.880 0.004 . 1 . . . A 16 PRO HG3 . 18787 1 120 . 1 1 16 16 PRO HD2 H 1 2.385 0.004 . 1 . . . A 16 PRO HD2 . 18787 1 121 . 1 1 16 16 PRO HD3 H 1 4.409 0.003 . 1 . . . A 16 PRO HD3 . 18787 1 122 . 1 1 17 17 HIS H H 1 7.135 0.002 . 1 . . . A 17 HIS H . 18787 1 123 . 1 1 17 17 HIS HA H 1 1.649 0.005 . 1 . . . A 17 HIS HA . 18787 1 124 . 1 1 17 17 HIS HB2 H 1 0.789 0.005 . 1 . . . A 17 HIS HB2 . 18787 1 125 . 1 1 17 17 HIS HB3 H 1 1.424 0.005 . 1 . . . A 17 HIS HB3 . 18787 1 126 . 1 1 17 17 HIS HD1 H 1 8.713 0.004 . 1 . . . A 17 HIS HD1 . 18787 1 127 . 1 1 17 17 HIS HD2 H 1 0.514 0.003 . 1 . . . A 17 HIS HD2 . 18787 1 128 . 1 1 17 17 HIS HE1 H 1 1.173 0.002 . 1 . . . A 17 HIS HE1 . 18787 1 129 . 1 1 17 17 HIS N N 15 132.791 0.000 . 1 . . . A 17 HIS N . 18787 1 130 . 1 1 17 17 HIS ND1 N 15 166.378 0.000 . 1 . . . A 17 HIS ND1 . 18787 1 131 . 1 1 18 18 LYS H H 1 7.446 0.003 . 1 . . . A 18 LYS H . 18787 1 132 . 1 1 18 18 LYS HA H 1 2.956 0.002 . 1 . . . A 18 LYS HA . 18787 1 133 . 1 1 18 18 LYS HB2 H 1 1.125 0.002 . 1 . . . A 18 LYS HB2 . 18787 1 134 . 1 1 18 18 LYS HB3 H 1 1.297 0.004 . 1 . . . A 18 LYS HB3 . 18787 1 135 . 1 1 18 18 LYS HG2 H 1 0.812 0.003 . 1 . . . A 18 LYS HG2 . 18787 1 136 . 1 1 18 18 LYS HG3 H 1 0.868 0.001 . 1 . . . A 18 LYS HG3 . 18787 1 137 . 1 1 18 18 LYS HE2 H 1 2.576 0.003 . 1 . . . A 18 LYS HE2 . 18787 1 138 . 1 1 18 18 LYS N N 15 119.290 0.000 . 1 . . . A 18 LYS N . 18787 1 139 . 1 1 19 19 ALA H H 1 7.305 0.003 . 1 . . . A 19 ALA H . 18787 1 140 . 1 1 19 19 ALA HA H 1 3.485 0.002 . 1 . . . A 19 ALA HA . 18787 1 141 . 1 1 19 19 ALA HB1 H 1 0.775 0.003 . 1 . . . A 19 ALA HB1 . 18787 1 142 . 1 1 19 19 ALA HB2 H 1 0.775 0.003 . 1 . . . A 19 ALA HB2 . 18787 1 143 . 1 1 19 19 ALA HB3 H 1 0.775 0.003 . 1 . . . A 19 ALA HB3 . 18787 1 144 . 1 1 19 19 ALA N N 15 120.287 0.000 . 1 . . . A 19 ALA N . 18787 1 145 . 1 1 20 20 HIS H H 1 6.618 0.002 . 1 . . . A 20 HIS H . 18787 1 146 . 1 1 20 20 HIS HA H 1 2.573 0.003 . 1 . . . A 20 HIS HA . 18787 1 147 . 1 1 20 20 HIS HB2 H 1 1.046 0.004 . 1 . . . A 20 HIS HB2 . 18787 1 148 . 1 1 20 20 HIS HB3 H 1 1.424 0.005 . 1 . . . A 20 HIS HB3 . 18787 1 149 . 1 1 20 20 HIS HD1 H 1 8.255 0.003 . 1 . . . A 20 HIS HD1 . 18787 1 150 . 1 1 20 20 HIS HD2 H 1 1.000 0.003 . 1 . . . A 20 HIS HD2 . 18787 1 151 . 1 1 20 20 HIS HE1 H 1 1.096 0.005 . 1 . . . A 20 HIS HE1 . 18787 1 152 . 1 1 20 20 HIS N N 15 116.668 0.000 . 1 . . . A 20 HIS N . 18787 1 153 . 1 1 20 20 HIS ND1 N 15 161.858 0.000 . 1 . . . A 20 HIS ND1 . 18787 1 154 . 1 1 21 21 GLN H H 1 7.026 0.004 . 1 . . . A 21 GLN H . 18787 1 155 . 1 1 21 21 GLN HA H 1 4.026 0.005 . 1 . . . A 21 GLN HA . 18787 1 156 . 1 1 21 21 GLN HB2 H 1 1.691 0.003 . 1 . . . A 21 GLN HB2 . 18787 1 157 . 1 1 21 21 GLN HB3 H 1 1.480 0.004 . 1 . . . A 21 GLN HB3 . 18787 1 158 . 1 1 21 21 GLN HG2 H 1 0.544 0.003 . 1 . . . A 21 GLN HG2 . 18787 1 159 . 1 1 21 21 GLN HE21 H 1 2.041 0.005 . 1 . . . A 21 GLN HE21 . 18787 1 160 . 1 1 21 21 GLN HE22 H 1 5.082 0.004 . 1 . . . A 21 GLN HE22 . 18787 1 161 . 1 1 21 21 GLN N N 15 117.664 0.000 . 1 . . . A 21 GLN N . 18787 1 162 . 1 1 21 21 GLN NE2 N 15 106.875 0.004 . 1 . . . A 21 GLN NE2 . 18787 1 163 . 1 1 22 22 LYS H H 1 6.749 0.007 . 1 . . . A 22 LYS H . 18787 1 164 . 1 1 22 22 LYS HA H 1 4.013 0.003 . 1 . . . A 22 LYS HA . 18787 1 165 . 1 1 22 22 LYS HB2 H 1 1.575 0.004 . 1 . . . A 22 LYS HB2 . 18787 1 166 . 1 1 22 22 LYS HB3 H 1 1.658 0.004 . 1 . . . A 22 LYS HB3 . 18787 1 167 . 1 1 22 22 LYS HG2 H 1 1.246 0.005 . 1 . . . A 22 LYS HG2 . 18787 1 168 . 1 1 22 22 LYS HG3 H 1 1.328 0.003 . 1 . . . A 22 LYS HG3 . 18787 1 169 . 1 1 22 22 LYS HD2 H 1 1.499 0.002 . 1 . . . A 22 LYS HD2 . 18787 1 170 . 1 1 22 22 LYS HE2 H 1 2.763 0.006 . 1 . . . A 22 LYS HE2 . 18787 1 171 . 1 1 22 22 LYS N N 15 115.540 0.000 . 1 . . . A 22 LYS N . 18787 1 172 . 1 1 23 23 ALA H H 1 7.009 0.005 . 1 . . . A 23 ALA H . 18787 1 173 . 1 1 23 23 ALA HA H 1 4.246 0.003 . 1 . . . A 23 ALA HA . 18787 1 174 . 1 1 23 23 ALA HB1 H 1 1.240 0.003 . 1 . . . A 23 ALA HB1 . 18787 1 175 . 1 1 23 23 ALA HB2 H 1 1.240 0.003 . 1 . . . A 23 ALA HB2 . 18787 1 176 . 1 1 23 23 ALA HB3 H 1 1.240 0.003 . 1 . . . A 23 ALA HB3 . 18787 1 177 . 1 1 23 23 ALA N N 15 120.162 0.000 . 1 . . . A 23 ALA N . 18787 1 178 . 1 1 24 24 VAL H H 1 8.228 0.004 . 1 . . . A 24 VAL H . 18787 1 179 . 1 1 24 24 VAL HA H 1 4.614 0.003 . 1 . . . A 24 VAL HA . 18787 1 180 . 1 1 24 24 VAL HB H 1 2.632 0.003 . 1 . . . A 24 VAL HB . 18787 1 181 . 1 1 24 24 VAL HG11 H 1 1.474 0.003 . 1 . . . A 24 VAL QG1 . 18787 1 182 . 1 1 24 24 VAL HG12 H 1 1.474 0.003 . 1 . . . A 24 VAL QG1 . 18787 1 183 . 1 1 24 24 VAL HG13 H 1 1.474 0.003 . 1 . . . A 24 VAL HG13 . 18787 1 184 . 1 1 24 24 VAL HG21 H 1 1.199 0.002 . 1 . . . A 24 VAL HG21 . 18787 1 185 . 1 1 24 24 VAL HG22 H 1 1.199 0.002 . 1 . . . A 24 VAL QG2 . 18787 1 186 . 1 1 24 24 VAL HG23 H 1 1.199 0.002 . 1 . . . A 24 VAL QG2 . 18787 1 187 . 1 1 24 24 VAL N N 15 120.084 0.000 . 1 . . . A 24 VAL N . 18787 1 188 . 1 1 25 25 PRO HA H 1 4.755 0.000 . 1 . . . A 25 PRO HA . 18787 1 189 . 1 1 25 25 PRO HB2 H 1 2.169 0.004 . 1 . . . A 25 PRO HB2 . 18787 1 190 . 1 1 25 25 PRO HB3 H 1 2.410 0.003 . 1 . . . A 25 PRO HB3 . 18787 1 191 . 1 1 25 25 PRO HG2 H 1 2.107 0.003 . 1 . . . A 25 PRO HG2 . 18787 1 192 . 1 1 25 25 PRO HD2 H 1 3.663 0.003 . 1 . . . A 25 PRO HD2 . 18787 1 193 . 1 1 25 25 PRO HD3 H 1 3.890 0.002 . 1 . . . A 25 PRO HD3 . 18787 1 194 . 1 1 26 26 ASP H H 1 7.790 0.002 . 1 . . . A 26 ASP H . 18787 1 195 . 1 1 26 26 ASP HA H 1 5.084 0.007 . 1 . . . A 26 ASP HA . 18787 1 196 . 1 1 26 26 ASP HB2 H 1 2.795 0.010 . 1 . . . A 26 ASP HB2 . 18787 1 197 . 1 1 26 26 ASP HB3 H 1 2.971 0.005 . 1 . . . A 26 ASP HB3 . 18787 1 198 . 1 1 26 26 ASP N N 15 116.823 0.000 . 1 . . . A 26 ASP N . 18787 1 199 . 1 1 27 27 CYS H H 1 8.561 0.012 . 1 . . . A 27 CYS H . 18787 1 200 . 1 1 27 27 CYS HA H 1 4.955 0.048 . 1 . . . A 27 CYS HA . 18787 1 201 . 1 1 27 27 CYS HB2 H 1 2.562 0.003 . 1 . . . A 27 CYS HB2 . 18787 1 202 . 1 1 27 27 CYS HB3 H 1 2.452 0.008 . 1 . . . A 27 CYS HB3 . 18787 1 203 . 1 1 27 27 CYS N N 15 123.015 0.000 . 1 . . . A 27 CYS N . 18787 1 204 . 1 1 28 28 LYS H H 1 8.139 0.002 . 1 . . . A 28 LYS H . 18787 1 205 . 1 1 28 28 LYS HA H 1 3.517 0.002 . 1 . . . A 28 LYS HA . 18787 1 206 . 1 1 28 28 LYS HB2 H 1 1.252 0.003 . 1 . . . A 28 LYS HB2 . 18787 1 207 . 1 1 28 28 LYS HB3 H 1 1.728 0.003 . 1 . . . A 28 LYS HB3 . 18787 1 208 . 1 1 28 28 LYS HG2 H 1 1.622 0.003 . 1 . . . A 28 LYS HG2 . 18787 1 209 . 1 1 28 28 LYS HG3 H 1 1.337 0.002 . 1 . . . A 28 LYS HG3 . 18787 1 210 . 1 1 28 28 LYS HD2 H 1 1.647 0.003 . 1 . . . A 28 LYS HD2 . 18787 1 211 . 1 1 28 28 LYS HE2 H 1 2.915 0.005 . 1 . . . A 28 LYS HE2 . 18787 1 212 . 1 1 28 28 LYS N N 15 115.314 0.000 . 1 . . . A 28 LYS N . 18787 1 213 . 1 1 29 29 LYS H H 1 7.727 0.004 . 1 . . . A 29 LYS H . 18787 1 214 . 1 1 29 29 LYS HA H 1 4.081 0.003 . 1 . . . A 29 LYS HA . 18787 1 215 . 1 1 29 29 LYS HB2 H 1 1.916 0.001 . 1 . . . A 29 LYS HB2 . 18787 1 216 . 1 1 29 29 LYS HB3 H 1 2.158 0.005 . 1 . . . A 29 LYS HB3 . 18787 1 217 . 1 1 29 29 LYS HG2 H 1 1.822 0.000 . 1 . . . A 29 LYS HG2 . 18787 1 218 . 1 1 29 29 LYS HG3 H 1 2.234 0.005 . 1 . . . A 29 LYS HG3 . 18787 1 219 . 1 1 29 29 LYS HD2 H 1 2.006 0.003 . 1 . . . A 29 LYS HD2 . 18787 1 220 . 1 1 29 29 LYS HD3 H 1 2.077 0.002 . 1 . . . A 29 LYS HD3 . 18787 1 221 . 1 1 29 29 LYS N N 15 118.227 0.000 . 1 . . . A 29 LYS N . 18787 1 222 . 1 1 30 30 CYS H H 1 6.391 0.004 . 1 . . . A 30 CYS H . 18787 1 223 . 1 1 30 30 CYS HA H 1 4.716 0.002 . 1 . . . A 30 CYS HA . 18787 1 224 . 1 1 30 30 CYS HB2 H 1 1.105 0.004 . 1 . . . A 30 CYS HB2 . 18787 1 225 . 1 1 30 30 CYS HB3 H 1 2.203 0.002 . 1 . . . A 30 CYS HB3 . 18787 1 226 . 1 1 30 30 CYS N N 15 111.351 0.000 . 1 . . . A 30 CYS N . 18787 1 227 . 1 1 31 31 HIS H H 1 7.187 0.002 . 1 . . . A 31 HIS H . 18787 1 228 . 1 1 31 31 HIS HA H 1 3.143 0.005 . 1 . . . A 31 HIS HA . 18787 1 229 . 1 1 31 31 HIS HB2 H 1 0.923 0.010 . 1 . . . A 31 HIS HB2 . 18787 1 230 . 1 1 31 31 HIS HB3 H 1 0.861 0.005 . 1 . . . A 31 HIS HB3 . 18787 1 231 . 1 1 31 31 HIS HD1 H 1 8.429 0.003 . 1 . . . A 31 HIS HD1 . 18787 1 232 . 1 1 31 31 HIS HD2 H 1 0.446 0.021 . 1 . . . A 31 HIS HD2 . 18787 1 233 . 1 1 31 31 HIS HE1 H 1 1.310 0.002 . 1 . . . A 31 HIS HE1 . 18787 1 234 . 1 1 31 31 HIS N N 15 118.380 0.000 . 1 . . . A 31 HIS N . 18787 1 235 . 1 1 31 31 HIS ND1 N 15 163.742 0.000 . 1 . . . A 31 HIS ND1 . 18787 1 236 . 1 1 32 32 GLU H H 1 7.993 0.004 . 1 . . . A 32 GLU H . 18787 1 237 . 1 1 32 32 GLU HA H 1 3.742 0.003 . 1 . . . A 32 GLU HA . 18787 1 238 . 1 1 32 32 GLU HB2 H 1 1.753 0.005 . 1 . . . A 32 GLU HB2 . 18787 1 239 . 1 1 32 32 GLU HB3 H 1 1.843 0.028 . 1 . . . A 32 GLU HB3 . 18787 1 240 . 1 1 32 32 GLU HG2 H 1 2.076 0.004 . 1 . . . A 32 GLU HG2 . 18787 1 241 . 1 1 32 32 GLU N N 15 125.425 0.000 . 1 . . . A 32 GLU N . 18787 1 242 . 1 1 33 33 LYS H H 1 8.269 0.003 . 1 . . . A 33 LYS H . 18787 1 243 . 1 1 33 33 LYS HA H 1 4.238 0.004 . 1 . . . A 33 LYS HA . 18787 1 244 . 1 1 33 33 LYS HB2 H 1 1.446 0.005 . 1 . . . A 33 LYS HB2 . 18787 1 245 . 1 1 33 33 LYS HB3 H 1 1.891 0.003 . 1 . . . A 33 LYS HB3 . 18787 1 246 . 1 1 33 33 LYS HG2 H 1 1.198 0.002 . 1 . . . A 33 LYS HG2 . 18787 1 247 . 1 1 33 33 LYS HG3 H 1 1.311 0.002 . 1 . . . A 33 LYS HG3 . 18787 1 248 . 1 1 33 33 LYS HD2 H 1 1.534 0.002 . 1 . . . A 33 LYS HD2 . 18787 1 249 . 1 1 33 33 LYS HE2 H 1 2.869 0.002 . 1 . . . A 33 LYS HE2 . 18787 1 250 . 1 1 33 33 LYS N N 15 114.958 0.000 . 1 . . . A 33 LYS N . 18787 1 251 . 1 1 34 34 GLY H H 1 6.687 0.004 . 1 . . . A 34 GLY H . 18787 1 252 . 1 1 34 34 GLY HA2 H 1 4.031 0.007 . 1 . . . A 34 GLY HA2 . 18787 1 253 . 1 1 34 34 GLY HA3 H 1 3.356 0.005 . 1 . . . A 34 GLY HA3 . 18787 1 254 . 1 1 34 34 GLY N N 15 107.549 0.000 . 1 . . . A 34 GLY N . 18787 1 255 . 1 1 35 35 PRO HA H 1 0.774 0.005 . 1 . . . A 35 PRO HA . 18787 1 256 . 1 1 35 35 PRO HB2 H 1 1.651 0.001 . 1 . . . A 35 PRO HB2 . 18787 1 257 . 1 1 35 35 PRO HB3 H 1 1.669 0.001 . 1 . . . A 35 PRO HB3 . 18787 1 258 . 1 1 35 35 PRO HG2 H 1 1.169 0.006 . 1 . . . A 35 PRO HG2 . 18787 1 259 . 1 1 35 35 PRO HG3 H 1 2.054 0.002 . 1 . . . A 35 PRO HG3 . 18787 1 260 . 1 1 35 35 PRO HD2 H 1 3.115 0.005 . 1 . . . A 35 PRO HD2 . 18787 1 261 . 1 1 35 35 PRO HD3 H 1 3.215 0.006 . 1 . . . A 35 PRO HD3 . 18787 1 262 . 1 1 36 36 GLY H H 1 3.990 0.004 . 1 . . . A 36 GLY H . 18787 1 263 . 1 1 36 36 GLY HA2 H 1 3.992 0.003 . 1 . . . A 36 GLY HA2 . 18787 1 264 . 1 1 36 36 GLY HA3 H 1 3.276 0.013 . 1 . . . A 36 GLY HA3 . 18787 1 265 . 1 1 36 36 GLY N N 15 108.941 0.000 . 1 . . . A 36 GLY N . 18787 1 266 . 1 1 37 37 LYS H H 1 7.939 0.002 . 1 . . . A 37 LYS H . 18787 1 267 . 1 1 37 37 LYS HA H 1 4.080 0.003 . 1 . . . A 37 LYS HA . 18787 1 268 . 1 1 37 37 LYS HB2 H 1 1.681 0.004 . 1 . . . A 37 LYS HB2 . 18787 1 269 . 1 1 37 37 LYS HG2 H 1 1.596 0.005 . 1 . . . A 37 LYS HG2 . 18787 1 270 . 1 1 37 37 LYS HG3 H 1 1.759 0.004 . 1 . . . A 37 LYS HG3 . 18787 1 271 . 1 1 37 37 LYS N N 15 117.153 0.000 . 1 . . . A 37 LYS N . 18787 1 272 . 1 1 38 38 ILE H H 1 10.189 0.005 . 1 . . . A 38 ILE H . 18787 1 273 . 1 1 38 38 ILE HA H 1 3.731 0.004 . 1 . . . A 38 ILE HA . 18787 1 274 . 1 1 38 38 ILE HB H 1 1.593 0.004 . 1 . . . A 38 ILE HB . 18787 1 275 . 1 1 38 38 ILE HG12 H 1 -0.216 0.003 . 1 . . . A 38 ILE HG12 . 18787 1 276 . 1 1 38 38 ILE HG13 H 1 0.625 0.004 . 1 . . . A 38 ILE HG13 . 18787 1 277 . 1 1 38 38 ILE HG21 H 1 0.849 0.003 . 1 . . . A 38 ILE QG2 . 18787 1 278 . 1 1 38 38 ILE HG22 H 1 0.849 0.003 . 1 . . . A 38 ILE QG2 . 18787 1 279 . 1 1 38 38 ILE HG23 H 1 0.849 0.003 . 1 . . . A 38 ILE HG23 . 18787 1 280 . 1 1 38 38 ILE HD11 H 1 -0.560 0.003 . 1 . . . A 38 ILE HD11 . 18787 1 281 . 1 1 38 38 ILE HD12 H 1 -0.560 0.003 . 1 . . . A 38 ILE QD1 . 18787 1 282 . 1 1 38 38 ILE HD13 H 1 -0.560 0.003 . 1 . . . A 38 ILE QD1 . 18787 1 283 . 1 1 38 38 ILE N N 15 128.347 0.000 . 1 . . . A 38 ILE N . 18787 1 284 . 1 1 39 39 GLU H H 1 8.648 0.002 . 1 . . . A 39 GLU H . 18787 1 285 . 1 1 39 39 GLU HA H 1 4.091 0.002 . 1 . . . A 39 GLU HA . 18787 1 286 . 1 1 39 39 GLU HB2 H 1 1.910 0.005 . 1 . . . A 39 GLU HB2 . 18787 1 287 . 1 1 39 39 GLU HG2 H 1 2.206 0.003 . 1 . . . A 39 GLU HG2 . 18787 1 288 . 1 1 39 39 GLU N N 15 130.732 0.000 . 1 . . . A 39 GLU N . 18787 1 289 . 1 1 40 40 GLY H H 1 9.180 0.003 . 1 . . . A 40 GLY H . 18787 1 290 . 1 1 40 40 GLY HA2 H 1 4.110 0.023 . 1 . . . A 40 GLY HA2 . 18787 1 291 . 1 1 40 40 GLY HA3 H 1 3.831 0.002 . 1 . . . A 40 GLY HA3 . 18787 1 292 . 1 1 40 40 GLY N N 15 113.178 0.000 . 1 . . . A 40 GLY N . 18787 1 293 . 1 1 41 41 PHE H H 1 8.009 0.003 . 1 . . . A 41 PHE H . 18787 1 294 . 1 1 41 41 PHE HA H 1 4.484 0.005 . 1 . . . A 41 PHE HA . 18787 1 295 . 1 1 41 41 PHE HB2 H 1 3.326 0.003 . 1 . . . A 41 PHE HB2 . 18787 1 296 . 1 1 41 41 PHE HB3 H 1 3.372 0.003 . 1 . . . A 41 PHE HB3 . 18787 1 297 . 1 1 41 41 PHE HD1 H 1 7.751 0.002 . 1 . . . A 41 PHE HD1 . 18787 1 298 . 1 1 41 41 PHE HE1 H 1 8.155 0.004 . 1 . . . A 41 PHE HE1 . 18787 1 299 . 1 1 41 41 PHE HZ H 1 8.434 0.003 . 1 . . . A 41 PHE HZ . 18787 1 300 . 1 1 41 41 PHE N N 15 121.641 0.000 . 1 . . . A 41 PHE N . 18787 1 301 . 1 1 42 42 GLY H H 1 5.985 0.001 . 1 . . . A 42 GLY H . 18787 1 302 . 1 1 42 42 GLY HA2 H 1 1.795 0.001 . 1 . . . A 42 GLY HA2 . 18787 1 303 . 1 1 42 42 GLY HA3 H 1 4.330 0.005 . 1 . . . A 42 GLY HA3 . 18787 1 304 . 1 1 42 42 GLY N N 15 114.323 0.000 . 1 . . . A 42 GLY N . 18787 1 305 . 1 1 43 43 LYS H H 1 8.990 0.004 . 1 . . . A 43 LYS H . 18787 1 306 . 1 1 43 43 LYS HA H 1 2.366 0.003 . 1 . . . A 43 LYS HA . 18787 1 307 . 1 1 43 43 LYS HB2 H 1 1.376 0.004 . 1 . . . A 43 LYS HB2 . 18787 1 308 . 1 1 43 43 LYS HB3 H 1 1.224 0.005 . 1 . . . A 43 LYS HB3 . 18787 1 309 . 1 1 43 43 LYS HG2 H 1 -1.292 0.005 . 1 . . . A 43 LYS HG2 . 18787 1 310 . 1 1 43 43 LYS HG3 H 1 1.538 0.003 . 1 . . . A 43 LYS HG3 . 18787 1 311 . 1 1 43 43 LYS HD2 H 1 1.281 0.003 . 1 . . . A 43 LYS HD2 . 18787 1 312 . 1 1 43 43 LYS HD3 H 1 -0.517 0.004 . 1 . . . A 43 LYS HD3 . 18787 1 313 . 1 1 43 43 LYS HE2 H 1 2.227 0.007 . 1 . . . A 43 LYS HE2 . 18787 1 314 . 1 1 43 43 LYS HE3 H 1 2.309 0.005 . 1 . . . A 43 LYS HE3 . 18787 1 315 . 1 1 43 43 LYS N N 15 122.849 0.000 . 1 . . . A 43 LYS N . 18787 1 316 . 1 1 44 44 GLU H H 1 8.112 0.003 . 1 . . . A 44 GLU H . 18787 1 317 . 1 1 44 44 GLU HA H 1 3.154 0.004 . 1 . . . A 44 GLU HA . 18787 1 318 . 1 1 44 44 GLU HB2 H 1 1.650 0.003 . 1 . . . A 44 GLU HB2 . 18787 1 319 . 1 1 44 44 GLU HB3 H 1 1.701 0.002 . 1 . . . A 44 GLU HB3 . 18787 1 320 . 1 1 44 44 GLU HG2 H 1 1.986 0.003 . 1 . . . A 44 GLU HG2 . 18787 1 321 . 1 1 44 44 GLU HG3 H 1 2.033 0.004 . 1 . . . A 44 GLU HG3 . 18787 1 322 . 1 1 44 44 GLU N N 15 115.299 0.000 . 1 . . . A 44 GLU N . 18787 1 323 . 1 1 45 45 MET H H 1 7.584 0.002 . 1 . . . A 45 MET H . 18787 1 324 . 1 1 45 45 MET HA H 1 3.998 0.003 . 1 . . . A 45 MET HA . 18787 1 325 . 1 1 45 45 MET HB2 H 1 2.490 0.002 . 1 . . . A 45 MET HB2 . 18787 1 326 . 1 1 45 45 MET HB3 H 1 1.793 0.006 . 1 . . . A 45 MET HB3 . 18787 1 327 . 1 1 45 45 MET HG2 H 1 2.659 0.002 . 1 . . . A 45 MET HG2 . 18787 1 328 . 1 1 45 45 MET N N 15 117.944 0.000 . 1 . . . A 45 MET N . 18787 1 329 . 1 1 46 46 ALA H H 1 7.902 0.003 . 1 . . . A 46 ALA H . 18787 1 330 . 1 1 46 46 ALA HA H 1 4.186 0.003 . 1 . . . A 46 ALA HA . 18787 1 331 . 1 1 46 46 ALA HB1 H 1 0.902 0.003 . 1 . . . A 46 ALA HB1 . 18787 1 332 . 1 1 46 46 ALA HB2 H 1 0.902 0.003 . 1 . . . A 46 ALA HB2 . 18787 1 333 . 1 1 46 46 ALA HB3 H 1 0.902 0.003 . 1 . . . A 46 ALA HB3 . 18787 1 334 . 1 1 46 46 ALA N N 15 121.955 0.000 . 1 . . . A 46 ALA N . 18787 1 335 . 1 1 47 47 HIS H H 1 7.104 0.003 . 1 . . . A 47 HIS H . 18787 1 336 . 1 1 47 47 HIS HA H 1 2.787 0.006 . 1 . . . A 47 HIS HA . 18787 1 337 . 1 1 47 47 HIS HB2 H 1 1.453 0.005 . 1 . . . A 47 HIS HB2 . 18787 1 338 . 1 1 47 47 HIS HB3 H 1 1.571 0.004 . 1 . . . A 47 HIS HB3 . 18787 1 339 . 1 1 47 47 HIS HD1 H 1 9.473 0.003 . 1 . . . A 47 HIS HD1 . 18787 1 340 . 1 1 47 47 HIS HD2 H 1 0.723 0.003 . 1 . . . A 47 HIS HD2 . 18787 1 341 . 1 1 47 47 HIS N N 15 113.351 0.000 . 1 . . . A 47 HIS N . 18787 1 342 . 1 1 47 47 HIS ND1 N 15 164.618 0.000 . 1 . . . A 47 HIS ND1 . 18787 1 343 . 1 1 48 48 GLY H H 1 6.696 0.004 . 1 . . . A 48 GLY H . 18787 1 344 . 1 1 48 48 GLY HA2 H 1 4.060 0.007 . 1 . . . A 48 GLY HA2 . 18787 1 345 . 1 1 48 48 GLY HA3 H 1 3.384 0.006 . 1 . . . A 48 GLY HA3 . 18787 1 346 . 1 1 48 48 GLY N N 15 109.160 0.000 . 1 . . . A 48 GLY N . 18787 1 347 . 1 1 49 49 LYS H H 1 8.734 0.003 . 1 . . . A 49 LYS H . 18787 1 348 . 1 1 49 49 LYS HA H 1 3.761 0.003 . 1 . . . A 49 LYS HA . 18787 1 349 . 1 1 49 49 LYS HB2 H 1 1.895 0.004 . 1 . . . A 49 LYS HB2 . 18787 1 350 . 1 1 49 49 LYS HG2 H 1 1.490 0.004 . 1 . . . A 49 LYS HG2 . 18787 1 351 . 1 1 49 49 LYS HD2 H 1 1.665 0.001 . 1 . . . A 49 LYS HD2 . 18787 1 352 . 1 1 49 49 LYS N N 15 124.625 0.000 . 1 . . . A 49 LYS N . 18787 1 353 . 1 1 50 50 GLY H H 1 8.456 0.004 . 1 . . . A 50 GLY H . 18787 1 354 . 1 1 50 50 GLY HA2 H 1 4.448 0.008 . 1 . . . A 50 GLY HA2 . 18787 1 355 . 1 1 50 50 GLY HA3 H 1 3.865 0.003 . 1 . . . A 50 GLY HA3 . 18787 1 356 . 1 1 50 50 GLY N N 15 105.576 0.000 . 1 . . . A 50 GLY N . 18787 1 357 . 1 1 51 51 CYS H H 1 6.733 0.004 . 1 . . . A 51 CYS H . 18787 1 358 . 1 1 51 51 CYS HA H 1 5.596 0.003 . 1 . . . A 51 CYS HA . 18787 1 359 . 1 1 51 51 CYS HB2 H 1 3.674 0.008 . 1 . . . A 51 CYS HB2 . 18787 1 360 . 1 1 51 51 CYS HB3 H 1 2.658 0.004 . 1 . . . A 51 CYS HB3 . 18787 1 361 . 1 1 51 51 CYS N N 15 111.492 0.000 . 1 . . . A 51 CYS N . 18787 1 362 . 1 1 52 52 LYS H H 1 7.982 0.002 . 1 . . . A 52 LYS H . 18787 1 363 . 1 1 52 52 LYS HA H 1 2.538 0.005 . 1 . . . A 52 LYS HA . 18787 1 364 . 1 1 52 52 LYS HB2 H 1 1.311 0.004 . 1 . . . A 52 LYS HB2 . 18787 1 365 . 1 1 52 52 LYS HG2 H 1 1.064 0.002 . 1 . . . A 52 LYS HG2 . 18787 1 366 . 1 1 52 52 LYS HG3 H 1 1.101 0.005 . 1 . . . A 52 LYS HG3 . 18787 1 367 . 1 1 52 52 LYS N N 15 120.106 0.000 . 1 . . . A 52 LYS N . 18787 1 368 . 1 1 53 53 GLY H H 1 8.436 0.004 . 1 . . . A 53 GLY H . 18787 1 369 . 1 1 53 53 GLY HA2 H 1 3.440 0.085 . 1 . . . A 53 GLY HA2 . 18787 1 370 . 1 1 53 53 GLY HA3 H 1 3.547 0.086 . 1 . . . A 53 GLY HA3 . 18787 1 371 . 1 1 53 53 GLY N N 15 102.100 0.000 . 1 . . . A 53 GLY N . 18787 1 372 . 1 1 54 54 CYS H H 1 6.596 0.004 . 1 . . . A 54 CYS H . 18787 1 373 . 1 1 54 54 CYS HA H 1 4.416 0.004 . 1 . . . A 54 CYS HA . 18787 1 374 . 1 1 54 54 CYS HB2 H 1 2.401 0.002 . 1 . . . A 54 CYS HB2 . 18787 1 375 . 1 1 54 54 CYS HB3 H 1 3.640 0.006 . 1 . . . A 54 CYS HB3 . 18787 1 376 . 1 1 54 54 CYS N N 15 121.145 0.000 . 1 . . . A 54 CYS N . 18787 1 377 . 1 1 55 55 HIS H H 1 5.393 0.004 . 1 . . . A 55 HIS H . 18787 1 378 . 1 1 55 55 HIS HA H 1 3.725 0.003 . 1 . . . A 55 HIS HA . 18787 1 379 . 1 1 55 55 HIS HB2 H 1 1.620 0.003 . 1 . . . A 55 HIS HB2 . 18787 1 380 . 1 1 55 55 HIS HB3 H 1 1.388 0.006 . 1 . . . A 55 HIS HB3 . 18787 1 381 . 1 1 55 55 HIS HD1 H 1 9.478 0.004 . 1 . . . A 55 HIS HD1 . 18787 1 382 . 1 1 55 55 HIS HD2 H 1 0.980 0.003 . 1 . . . A 55 HIS HD2 . 18787 1 383 . 1 1 55 55 HIS HE1 H 1 1.506 0.006 . 1 . . . A 55 HIS HE1 . 18787 1 384 . 1 1 55 55 HIS N N 15 117.698 0.000 . 1 . . . A 55 HIS N . 18787 1 385 . 1 1 55 55 HIS ND1 N 15 164.667 0.000 . 1 . . . A 55 HIS ND1 . 18787 1 386 . 1 1 56 56 GLU H H 1 8.000 0.003 . 1 . . . A 56 GLU H . 18787 1 387 . 1 1 56 56 GLU HA H 1 3.653 0.003 . 1 . . . A 56 GLU HA . 18787 1 388 . 1 1 56 56 GLU HB2 H 1 1.960 0.004 . 1 . . . A 56 GLU HB2 . 18787 1 389 . 1 1 56 56 GLU HB3 H 1 1.792 0.007 . 1 . . . A 56 GLU HB3 . 18787 1 390 . 1 1 56 56 GLU HG2 H 1 1.873 0.002 . 1 . . . A 56 GLU HG2 . 18787 1 391 . 1 1 56 56 GLU HG3 H 1 2.111 0.002 . 1 . . . A 56 GLU HG3 . 18787 1 392 . 1 1 56 56 GLU N N 15 117.010 0.000 . 1 . . . A 56 GLU N . 18787 1 393 . 1 1 57 57 GLU H H 1 7.584 0.003 . 1 . . . A 57 GLU H . 18787 1 394 . 1 1 57 57 GLU HA H 1 4.032 0.002 . 1 . . . A 57 GLU HA . 18787 1 395 . 1 1 57 57 GLU HB2 H 1 2.214 0.002 . 1 . . . A 57 GLU HB2 . 18787 1 396 . 1 1 57 57 GLU HG2 H 1 2.331 0.002 . 1 . . . A 57 GLU HG2 . 18787 1 397 . 1 1 57 57 GLU HG3 H 1 2.400 0.002 . 1 . . . A 57 GLU HG3 . 18787 1 398 . 1 1 57 57 GLU N N 15 120.653 0.000 . 1 . . . A 57 GLU N . 18787 1 399 . 1 1 58 58 MET H H 1 8.807 0.002 . 1 . . . A 58 MET H . 18787 1 400 . 1 1 58 58 MET HA H 1 4.404 0.006 . 1 . . . A 58 MET HA . 18787 1 401 . 1 1 58 58 MET HB2 H 1 2.281 0.004 . 1 . . . A 58 MET HB2 . 18787 1 402 . 1 1 58 58 MET HB3 H 1 2.405 0.006 . 1 . . . A 58 MET HB3 . 18787 1 403 . 1 1 58 58 MET HG2 H 1 3.003 0.008 . 1 . . . A 58 MET HG2 . 18787 1 404 . 1 1 58 58 MET HG3 H 1 3.426 0.003 . 1 . . . A 58 MET HG3 . 18787 1 405 . 1 1 58 58 MET HE1 H 1 2.647 0.001 . 1 . . . A 58 MET HE1 . 18787 1 406 . 1 1 58 58 MET HE2 H 1 2.647 0.001 . 1 . . . A 58 MET HE2 . 18787 1 407 . 1 1 58 58 MET HE3 H 1 2.647 0.001 . 1 . . . A 58 MET HE3 . 18787 1 408 . 1 1 58 58 MET N N 15 115.249 0.000 . 1 . . . A 58 MET N . 18787 1 409 . 1 1 59 59 LYS H H 1 7.700 0.003 . 1 . . . A 59 LYS H . 18787 1 410 . 1 1 59 59 LYS HA H 1 3.736 0.003 . 1 . . . A 59 LYS HA . 18787 1 411 . 1 1 59 59 LYS HB2 H 1 2.173 0.005 . 1 . . . A 59 LYS HB2 . 18787 1 412 . 1 1 59 59 LYS HB3 H 1 1.393 0.005 . 1 . . . A 59 LYS HB3 . 18787 1 413 . 1 1 59 59 LYS HG2 H 1 1.353 0.005 . 1 . . . A 59 LYS HG2 . 18787 1 414 . 1 1 59 59 LYS HD2 H 1 1.963 0.004 . 1 . . . A 59 LYS HD2 . 18787 1 415 . 1 1 59 59 LYS N N 15 114.434 0.000 . 1 . . . A 59 LYS N . 18787 1 416 . 1 1 60 60 LYS H H 1 7.631 0.004 . 1 . . . A 60 LYS H . 18787 1 417 . 1 1 60 60 LYS HA H 1 4.315 0.003 . 1 . . . A 60 LYS HA . 18787 1 418 . 1 1 60 60 LYS HB2 H 1 1.686 0.006 . 1 . . . A 60 LYS HB2 . 18787 1 419 . 1 1 60 60 LYS HB3 H 1 2.099 0.005 . 1 . . . A 60 LYS HB3 . 18787 1 420 . 1 1 60 60 LYS HG2 H 1 1.650 0.003 . 1 . . . A 60 LYS HG2 . 18787 1 421 . 1 1 60 60 LYS HD2 H 1 1.956 0.001 . 1 . . . A 60 LYS HD2 . 18787 1 422 . 1 1 60 60 LYS HE2 H 1 3.287 0.001 . 1 . . . A 60 LYS HE2 . 18787 1 423 . 1 1 60 60 LYS N N 15 118.674 0.000 . 1 . . . A 60 LYS N . 18787 1 424 . 1 1 61 61 GLY H H 1 7.600 0.006 . 1 . . . A 61 GLY H . 18787 1 425 . 1 1 61 61 GLY HA2 H 1 2.622 0.007 . 1 . . . A 61 GLY HA2 . 18787 1 426 . 1 1 61 61 GLY HA3 H 1 1.314 0.004 . 1 . . . A 61 GLY HA3 . 18787 1 427 . 1 1 61 61 GLY N N 15 104.053 0.000 . 1 . . . A 61 GLY N . 18787 1 428 . 1 1 62 62 PRO HA H 1 3.968 0.005 . 1 . . . A 62 PRO HA . 18787 1 429 . 1 1 62 62 PRO HB2 H 1 1.966 0.004 . 1 . . . A 62 PRO HB2 . 18787 1 430 . 1 1 62 62 PRO HG2 H 1 0.917 0.003 . 1 . . . A 62 PRO HG2 . 18787 1 431 . 1 1 62 62 PRO HG3 H 1 1.803 0.004 . 1 . . . A 62 PRO HG3 . 18787 1 432 . 1 1 62 62 PRO HD2 H 1 -0.905 0.004 . 1 . . . A 62 PRO HD2 . 18787 1 433 . 1 1 62 62 PRO HD3 H 1 2.420 0.003 . 1 . . . A 62 PRO HD3 . 18787 1 434 . 1 1 63 63 THR H H 1 8.296 0.005 . 1 . . . A 63 THR H . 18787 1 435 . 1 1 63 63 THR HA H 1 4.411 0.005 . 1 . . . A 63 THR HA . 18787 1 436 . 1 1 63 63 THR HB H 1 4.247 0.002 . 1 . . . A 63 THR HB . 18787 1 437 . 1 1 63 63 THR HG21 H 1 0.694 0.003 . 1 . . . A 63 THR HG21 . 18787 1 438 . 1 1 63 63 THR HG22 H 1 0.694 0.003 . 1 . . . A 63 THR QG2 . 18787 1 439 . 1 1 63 63 THR HG23 H 1 0.694 0.003 . 1 . . . A 63 THR QG2 . 18787 1 440 . 1 1 63 63 THR N N 15 108.819 0.000 . 1 . . . A 63 THR N . 18787 1 441 . 1 1 64 64 LYS H H 1 8.449 0.003 . 1 . . . A 64 LYS H . 18787 1 442 . 1 1 64 64 LYS HA H 1 5.172 0.002 . 1 . . . A 64 LYS HA . 18787 1 443 . 1 1 64 64 LYS HB2 H 1 1.688 0.005 . 1 . . . A 64 LYS HB2 . 18787 1 444 . 1 1 64 64 LYS HB3 H 1 2.148 0.004 . 1 . . . A 64 LYS HB3 . 18787 1 445 . 1 1 64 64 LYS HG2 H 1 1.544 0.006 . 1 . . . A 64 LYS HG2 . 18787 1 446 . 1 1 64 64 LYS HG3 H 1 1.578 0.004 . 1 . . . A 64 LYS HG3 . 18787 1 447 . 1 1 64 64 LYS HD2 H 1 1.686 0.005 . 1 . . . A 64 LYS HD2 . 18787 1 448 . 1 1 64 64 LYS N N 15 124.202 0.000 . 1 . . . A 64 LYS N . 18787 1 449 . 1 1 65 65 CYS H H 1 8.751 0.006 . 1 . . . A 65 CYS H . 18787 1 450 . 1 1 65 65 CYS HA H 1 4.840 0.010 . 1 . . . A 65 CYS HA . 18787 1 451 . 1 1 65 65 CYS HB2 H 1 2.743 0.007 . 1 . . . A 65 CYS HB2 . 18787 1 452 . 1 1 65 65 CYS HB3 H 1 2.852 0.008 . 1 . . . A 65 CYS HB3 . 18787 1 453 . 1 1 65 65 CYS N N 15 117.905 0.000 . 1 . . . A 65 CYS N . 18787 1 454 . 1 1 66 66 GLY H H 1 8.859 0.003 . 1 . . . A 66 GLY H . 18787 1 455 . 1 1 66 66 GLY HA2 H 1 3.950 0.002 . 1 . . . A 66 GLY HA2 . 18787 1 456 . 1 1 66 66 GLY HA3 H 1 3.524 0.004 . 1 . . . A 66 GLY HA3 . 18787 1 457 . 1 1 66 66 GLY N N 15 101.931 0.000 . 1 . . . A 66 GLY N . 18787 1 458 . 1 1 67 67 GLU H H 1 7.711 0.004 . 1 . . . A 67 GLU H . 18787 1 459 . 1 1 67 67 GLU HA H 1 4.173 0.003 . 1 . . . A 67 GLU HA . 18787 1 460 . 1 1 67 67 GLU HB2 H 1 2.399 0.005 . 1 . . . A 67 GLU HB2 . 18787 1 461 . 1 1 67 67 GLU HB3 H 1 2.302 0.004 . 1 . . . A 67 GLU HB3 . 18787 1 462 . 1 1 67 67 GLU HG2 H 1 2.138 0.005 . 1 . . . A 67 GLU HG2 . 18787 1 463 . 1 1 67 67 GLU HG3 H 1 2.225 0.004 . 1 . . . A 67 GLU HG3 . 18787 1 464 . 1 1 67 67 GLU N N 15 116.570 0.000 . 1 . . . A 67 GLU N . 18787 1 465 . 1 1 68 68 CYS H H 1 6.445 0.004 . 1 . . . A 68 CYS H . 18787 1 466 . 1 1 68 68 CYS HA H 1 4.682 0.004 . 1 . . . A 68 CYS HA . 18787 1 467 . 1 1 68 68 CYS HB2 H 1 1.359 0.003 . 1 . . . A 68 CYS HB2 . 18787 1 468 . 1 1 68 68 CYS HB3 H 1 2.135 0.004 . 1 . . . A 68 CYS HB3 . 18787 1 469 . 1 1 68 68 CYS N N 15 114.622 0.000 . 1 . . . A 68 CYS N . 18787 1 470 . 1 1 69 69 HIS H H 1 6.882 0.003 . 1 . . . A 69 HIS H . 18787 1 471 . 1 1 69 69 HIS HA H 1 2.758 0.004 . 1 . . . A 69 HIS HA . 18787 1 472 . 1 1 69 69 HIS HB2 H 1 1.252 0.004 . 1 . . . A 69 HIS HB2 . 18787 1 473 . 1 1 69 69 HIS HB3 H 1 1.034 0.005 . 1 . . . A 69 HIS HB3 . 18787 1 474 . 1 1 69 69 HIS HD1 H 1 9.066 0.005 . 1 . . . A 69 HIS HD1 . 18787 1 475 . 1 1 69 69 HIS HD2 H 1 0.770 0.003 . 1 . . . A 69 HIS HD2 . 18787 1 476 . 1 1 69 69 HIS HE1 H 1 0.942 0.002 . 1 . . . A 69 HIS HE1 . 18787 1 477 . 1 1 69 69 HIS N N 15 117.976 0.000 . 1 . . . A 69 HIS N . 18787 1 478 . 1 1 69 69 HIS ND1 N 15 166.650 0.000 . 1 . . . A 69 HIS ND1 . 18787 1 479 . 1 1 70 70 LYS H H 1 7.073 0.005 . 1 . . . A 70 LYS H . 18787 1 480 . 1 1 70 70 LYS HA H 1 4.241 0.003 . 1 . . . A 70 LYS HA . 18787 1 481 . 1 1 70 70 LYS HB2 H 1 1.640 0.005 . 1 . . . A 70 LYS HB2 . 18787 1 482 . 1 1 70 70 LYS HG2 H 1 1.145 0.012 . 1 . . . A 70 LYS HG2 . 18787 1 483 . 1 1 70 70 LYS HG3 H 1 1.166 0.008 . 1 . . . A 70 LYS HG3 . 18787 1 484 . 1 1 70 70 LYS HD2 H 1 1.522 0.048 . 1 . . . A 70 LYS HD2 . 18787 1 485 . 1 1 70 70 LYS HE2 H 1 2.953 0.003 . 1 . . . A 70 LYS HE2 . 18787 1 486 . 1 1 70 70 LYS N N 15 123.658 0.000 . 1 . . . A 70 LYS N . 18787 1 487 . 1 1 71 71 LYS H H 1 7.857 0.002 . 1 . . . A 71 LYS H . 18787 1 488 . 1 1 71 71 LYS HA H 1 3.937 0.003 . 1 . . . A 71 LYS HA . 18787 1 489 . 1 1 71 71 LYS HB2 H 1 1.523 0.005 . 1 . . . A 71 LYS HB2 . 18787 1 490 . 1 1 71 71 LYS HB3 H 1 1.635 0.004 . 1 . . . A 71 LYS HB3 . 18787 1 491 . 1 1 71 71 LYS HG2 H 1 1.223 0.003 . 1 . . . A 71 LYS HG2 . 18787 1 492 . 1 1 71 71 LYS N N 15 128.299 0.000 . 1 . . . A 71 LYS N . 18787 1 493 . 2 2 1 1 HEM HA62 H 1 3.448 0.003 . 1 . . . . 130 HEM HA62 . 18787 1 494 . 2 2 1 1 HEM HA63 H 1 4.240 0.005 . 1 . . . . 130 HEM HA63 . 18787 1 495 . 2 2 1 1 HEM HA72 H 1 3.912 0.008 . 1 . . . . 130 HEM HA72 . 18787 1 496 . 2 2 1 1 HEM HA73 H 1 3.927 0.003 . 1 . . . . 130 HEM HA73 . 18787 1 497 . 2 2 1 1 HEM HAM H 1 9.446 0.003 . 1 . . . . 130 HEM HAM . 18787 1 498 . 2 2 1 1 HEM HB62 H 1 2.474 0.004 . 1 . . . . 130 HEM HB62 . 18787 1 499 . 2 2 1 1 HEM HB63 H 1 3.065 0.003 . 1 . . . . 130 HEM HB63 . 18787 1 500 . 2 2 1 1 HEM HB72 H 1 2.809 0.001 . 1 . . . . 130 HEM HB72 . 18787 1 501 . 2 2 1 1 HEM HB73 H 1 2.922 0.007 . 1 . . . . 130 HEM HB73 . 18787 1 502 . 2 2 1 1 HEM HBM H 1 8.879 0.002 . 1 . . . . 130 HEM HBM . 18787 1 503 . 2 2 1 1 HEM HDM H 1 9.449 0.001 . 1 . . . . 130 HEM HDM . 18787 1 504 . 2 2 1 1 HEM HGM H 1 9.235 0.002 . 1 . . . . 130 HEM HGM . 18787 1 505 . 2 2 1 1 HEM HT2A H 1 6.119 0.003 . 1 . . . . 130 HEM HT2A . 18787 1 506 . 2 2 1 1 HEM HT4A H 1 6.063 0.004 . 1 . . . . 130 HEM HT4A . 18787 1 507 . 2 2 1 1 HEM CMB H 1 3.525 0.002 . 1 . . . . 130 HEM QM1 . 18787 1 508 . 2 2 1 1 HEM CMC H 1 3.384 0.002 . 1 . . . . 130 HEM QM3 . 18787 1 509 . 2 2 1 1 HEM CMD H 1 2.813 0.004 . 1 . . . . 130 HEM QM5 . 18787 1 510 . 2 2 1 1 HEM CMA H 1 3.295 0.004 . 1 . . . . 130 HEM QM8 . 18787 1 511 . 2 2 1 1 HEM CBB H 1 2.126 0.001 . 1 . . . . 130 HEM QT2 . 18787 1 512 . 2 2 1 1 HEM CBC H 1 1.388 0.002 . 1 . . . . 130 HEM QT4 . 18787 1 513 . 3 2 1 1 HEM HA62 H 1 3.773 0.006 . 1 . . . . 154 HEM HA62 . 18787 1 514 . 3 2 1 1 HEM HA63 H 1 4.130 0.005 . 1 . . . . 154 HEM HA63 . 18787 1 515 . 3 2 1 1 HEM HA72 H 1 4.117 0.000 . 1 . . . . 154 HEM HA72 . 18787 1 516 . 3 2 1 1 HEM HA73 H 1 4.153 0.005 . 1 . . . . 154 HEM HA73 . 18787 1 517 . 3 2 1 1 HEM HAM H 1 10.583 0.001 . 1 . . . . 154 HEM HAM . 18787 1 518 . 3 2 1 1 HEM HB62 H 1 2.849 0.003 . 1 . . . . 154 HEM HB62 . 18787 1 519 . 3 2 1 1 HEM HB63 H 1 2.977 0.002 . 1 . . . . 154 HEM HB63 . 18787 1 520 . 3 2 1 1 HEM HB72 H 1 3.242 0.003 . 1 . . . . 154 HEM HB72 . 18787 1 521 . 3 2 1 1 HEM HBM H 1 9.737 0.002 . 1 . . . . 154 HEM HBM . 18787 1 522 . 3 2 1 1 HEM HDM H 1 9.927 0.002 . 1 . . . . 154 HEM HDM . 18787 1 523 . 3 2 1 1 HEM HGM H 1 9.420 0.001 . 1 . . . . 154 HEM HGM . 18787 1 524 . 3 2 1 1 HEM HT2A H 1 7.292 0.003 . 1 . . . . 154 HEM HT2A . 18787 1 525 . 3 2 1 1 HEM HT4A H 1 6.518 0.002 . 1 . . . . 154 HEM HT4A . 18787 1 526 . 3 2 1 1 HEM CMB H 1 4.361 0.002 . 1 . . . . 154 HEM QM1 . 18787 1 527 . 3 2 1 1 HEM CMC H 1 4.087 0.002 . 1 . . . . 154 HEM QM3 . 18787 1 528 . 3 2 1 1 HEM CMD H 1 3.431 0.003 . 1 . . . . 154 HEM QM5 . 18787 1 529 . 3 2 1 1 HEM CMA H 1 3.767 0.003 . 1 . . . . 154 HEM QM8 . 18787 1 530 . 3 2 1 1 HEM CBB H 1 2.943 0.002 . 1 . . . . 154 HEM QT2 . 18787 1 531 . 3 2 1 1 HEM CBC H 1 2.872 0.005 . 1 . . . . 154 HEM QT4 . 18787 1 532 . 4 2 1 1 HEM HA62 H 1 3.872 0.003 . 1 . . . . 168 HEM HA62 . 18787 1 533 . 4 2 1 1 HEM HA63 H 1 4.192 0.003 . 1 . . . . 168 HEM HA63 . 18787 1 534 . 4 2 1 1 HEM HA72 H 1 4.444 0.002 . 1 . . . . 168 HEM HA72 . 18787 1 535 . 4 2 1 1 HEM HA73 H 1 3.970 0.004 . 1 . . . . 168 HEM HA73 . 18787 1 536 . 4 2 1 1 HEM HAM H 1 8.987 0.002 . 1 . . . . 168 HEM HAM . 18787 1 537 . 4 2 1 1 HEM HB62 H 1 3.119 0.003 . 1 . . . . 168 HEM HB62 . 18787 1 538 . 4 2 1 1 HEM HB63 H 1 3.723 0.003 . 1 . . . . 168 HEM HB63 . 18787 1 539 . 4 2 1 1 HEM HB72 H 1 3.111 0.004 . 1 . . . . 168 HEM HB72 . 18787 1 540 . 4 2 1 1 HEM HB73 H 1 3.474 0.002 . 1 . . . . 168 HEM HB73 . 18787 1 541 . 4 2 1 1 HEM HBM H 1 9.322 0.002 . 1 . . . . 168 HEM HBM . 18787 1 542 . 4 2 1 1 HEM HDM H 1 9.363 0.002 . 1 . . . . 168 HEM HDM . 18787 1 543 . 4 2 1 1 HEM HGM H 1 9.466 0.005 . 1 . . . . 168 HEM HGM . 18787 1 544 . 4 2 1 1 HEM HT2A H 1 6.006 0.003 . 1 . . . . 168 HEM HT2A . 18787 1 545 . 4 2 1 1 HEM HT4A H 1 6.237 0.002 . 1 . . . . 168 HEM HT4A . 18787 1 546 . 4 2 1 1 HEM CMB H 1 3.588 0.002 . 1 . . . . 168 HEM QM1 . 18787 1 547 . 4 2 1 1 HEM CMC H 1 2.977 0.005 . 1 . . . . 168 HEM QM3 . 18787 1 548 . 4 2 1 1 HEM CMD H 1 3.983 0.003 . 1 . . . . 168 HEM QM5 . 18787 1 549 . 4 2 1 1 HEM CMA H 1 3.317 0.003 . 1 . . . . 168 HEM QM8 . 18787 1 550 . 4 2 1 1 HEM CBB H 1 2.030 0.002 . 1 . . . . 168 HEM QT2 . 18787 1 551 . 4 2 1 1 HEM CBC H 1 1.491 0.007 . 1 . . . . 168 HEM QT4 . 18787 1 stop_ save_