################################### # 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 16842 _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 6 '2D 1H-1H NOESY' . . . 16842 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16842 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 3.775 0.004 . 1 . . . . 1 ALA HA . 16842 1 2 . 1 1 1 1 ALA HB1 H 1 1.269 0.000 . 1 . . . . 1 ALA HB1 . 16842 1 3 . 1 1 1 1 ALA HB2 H 1 1.269 0.000 . 1 . . . . 1 ALA HB2 . 16842 1 4 . 1 1 1 1 ALA HB3 H 1 1.269 0.000 . 1 . . . . 1 ALA HB3 . 16842 1 5 . 1 1 2 2 ASP HA H 1 4.814 0.002 . 1 . . . . 2 ASP HA . 16842 1 6 . 1 1 2 2 ASP HB2 H 1 2.200 0.002 . 2 . . . . 2 ASP HB2 . 16842 1 7 . 1 1 2 2 ASP HB3 H 1 3.754 0.004 . 2 . . . . 2 ASP HB3 . 16842 1 8 . 1 1 3 3 ASP H H 1 7.355 0.002 . 1 . . . . 3 ASP H . 16842 1 9 . 1 1 3 3 ASP HA H 1 4.611 0.002 . 1 . . . . 3 ASP HA . 16842 1 10 . 1 1 3 3 ASP HB2 H 1 2.017 0.001 . 2 . . . . 3 ASP HB2 . 16842 1 11 . 1 1 3 3 ASP HB3 H 1 2.059 0.002 . 2 . . . . 3 ASP HB3 . 16842 1 12 . 1 1 3 3 ASP N N 15 116.929 0.000 . 1 . . . . 3 ASP N . 16842 1 13 . 1 1 4 4 ILE H H 1 8.348 0.002 . 1 . . . . 4 ILE H . 16842 1 14 . 1 1 4 4 ILE HA H 1 4.004 0.002 . 1 . . . . 4 ILE HA . 16842 1 15 . 1 1 4 4 ILE HB H 1 1.473 0.004 . 1 . . . . 4 ILE HB . 16842 1 16 . 1 1 4 4 ILE HD11 H 1 -0.486 0.007 . 1 . . . . 4 ILE HD11 . 16842 1 17 . 1 1 4 4 ILE HD12 H 1 -0.486 0.007 . 1 . . . . 4 ILE HD12 . 16842 1 18 . 1 1 4 4 ILE HD13 H 1 -0.486 0.007 . 1 . . . . 4 ILE HD13 . 16842 1 19 . 1 1 4 4 ILE HG12 H 1 0.534 0.003 . 2 . . . . 4 ILE HG12 . 16842 1 20 . 1 1 4 4 ILE HG21 H 1 1.016 0.001 . 1 . . . . 4 ILE HG21 . 16842 1 21 . 1 1 4 4 ILE HG22 H 1 1.016 0.001 . 1 . . . . 4 ILE HG22 . 16842 1 22 . 1 1 4 4 ILE HG23 H 1 1.016 0.001 . 1 . . . . 4 ILE HG23 . 16842 1 23 . 1 1 4 4 ILE N N 15 121.916 0.000 . 1 . . . . 4 ILE N . 16842 1 24 . 1 1 5 5 VAL H H 1 8.792 0.002 . 1 . . . . 5 VAL H . 16842 1 25 . 1 1 5 5 VAL HA H 1 4.494 0.001 . 1 . . . . 5 VAL HA . 16842 1 26 . 1 1 5 5 VAL HB H 1 1.984 0.002 . 1 . . . . 5 VAL HB . 16842 1 27 . 1 1 5 5 VAL HG11 H 1 0.747 0.002 . 1 . . . . 5 VAL HG11 . 16842 1 28 . 1 1 5 5 VAL HG12 H 1 0.747 0.002 . 1 . . . . 5 VAL HG12 . 16842 1 29 . 1 1 5 5 VAL HG13 H 1 0.747 0.002 . 1 . . . . 5 VAL HG13 . 16842 1 30 . 1 1 5 5 VAL HG21 H 1 0.857 0.006 . 1 . . . . 5 VAL HG21 . 16842 1 31 . 1 1 5 5 VAL HG22 H 1 0.857 0.006 . 1 . . . . 5 VAL HG22 . 16842 1 32 . 1 1 5 5 VAL HG23 H 1 0.857 0.006 . 1 . . . . 5 VAL HG23 . 16842 1 33 . 1 1 5 5 VAL N N 15 128.142 0.000 . 1 . . . . 5 VAL N . 16842 1 34 . 1 1 6 6 LEU H H 1 9.545 0.001 . 1 . . . . 6 LEU H . 16842 1 35 . 1 1 6 6 LEU HA H 1 4.963 0.002 . 1 . . . . 6 LEU HA . 16842 1 36 . 1 1 6 6 LEU HB2 H 1 2.501 0.004 . 1 . . . . 6 LEU HB2 . 16842 1 37 . 1 1 6 6 LEU HB3 H 1 2.211 0.005 . 1 . . . . 6 LEU HB3 . 16842 1 38 . 1 1 6 6 LEU HD11 H 1 1.634 0.002 . 1 . . . . 6 LEU HD11 . 16842 1 39 . 1 1 6 6 LEU HD12 H 1 1.634 0.002 . 1 . . . . 6 LEU HD12 . 16842 1 40 . 1 1 6 6 LEU HD13 H 1 1.634 0.002 . 1 . . . . 6 LEU HD13 . 16842 1 41 . 1 1 6 6 LEU HD21 H 1 1.432 0.004 . 1 . . . . 6 LEU HD21 . 16842 1 42 . 1 1 6 6 LEU HD22 H 1 1.432 0.004 . 1 . . . . 6 LEU HD22 . 16842 1 43 . 1 1 6 6 LEU HD23 H 1 1.432 0.004 . 1 . . . . 6 LEU HD23 . 16842 1 44 . 1 1 6 6 LEU HG H 1 2.156 0.005 . 1 . . . . 6 LEU HG . 16842 1 45 . 1 1 6 6 LEU N N 15 133.341 0.000 . 1 . . . . 6 LEU N . 16842 1 46 . 1 1 7 7 LYS H H 1 8.614 0.006 . 1 . . . . 7 LYS H . 16842 1 47 . 1 1 7 7 LYS HA H 1 4.270 0.005 . 1 . . . . 7 LYS HA . 16842 1 48 . 1 1 7 7 LYS HB2 H 1 1.785 0.001 . 2 . . . . 7 LYS HB2 . 16842 1 49 . 1 1 7 7 LYS HB3 H 1 1.921 0.002 . 2 . . . . 7 LYS HB3 . 16842 1 50 . 1 1 7 7 LYS HD2 H 1 1.714 0.000 . 2 . . . . 7 LYS HD2 . 16842 1 51 . 1 1 7 7 LYS HD3 H 1 1.750 0.002 . 2 . . . . 7 LYS HD3 . 16842 1 52 . 1 1 7 7 LYS HE2 H 1 3.062 0.005 . 2 . . . . 7 LYS HE2 . 16842 1 53 . 1 1 7 7 LYS HE3 H 1 3.124 0.001 . 2 . . . . 7 LYS HE3 . 16842 1 54 . 1 1 7 7 LYS HG2 H 1 1.514 0.002 . 2 . . . . 7 LYS HG2 . 16842 1 55 . 1 1 7 7 LYS HG3 H 1 1.642 0.002 . 2 . . . . 7 LYS HG3 . 16842 1 56 . 1 1 7 7 LYS N N 15 124.135 0.000 . 1 . . . . 7 LYS N . 16842 1 57 . 1 1 8 8 ALA H H 1 8.653 0.002 . 1 . . . . 8 ALA H . 16842 1 58 . 1 1 8 8 ALA HA H 1 4.868 0.007 . 1 . . . . 8 ALA HA . 16842 1 59 . 1 1 8 8 ALA HB1 H 1 0.839 0.002 . 1 . . . . 8 ALA HB1 . 16842 1 60 . 1 1 8 8 ALA HB2 H 1 0.839 0.002 . 1 . . . . 8 ALA HB2 . 16842 1 61 . 1 1 8 8 ALA HB3 H 1 0.839 0.002 . 1 . . . . 8 ALA HB3 . 16842 1 62 . 1 1 8 8 ALA N N 15 124.079 0.000 . 1 . . . . 8 ALA N . 16842 1 63 . 1 1 9 9 LYS H H 1 10.359 0.001 . 1 . . . . 9 LYS H . 16842 1 64 . 1 1 9 9 LYS HA H 1 4.012 0.002 . 1 . . . . 9 LYS HA . 16842 1 65 . 1 1 9 9 LYS HB2 H 1 1.959 0.003 . 2 . . . . 9 LYS HB2 . 16842 1 66 . 1 1 9 9 LYS HB3 H 1 1.891 0.002 . 2 . . . . 9 LYS HB3 . 16842 1 67 . 1 1 9 9 LYS HD2 H 1 1.850 0.003 . 2 . . . . 9 LYS HD2 . 16842 1 68 . 1 1 9 9 LYS HE2 H 1 3.176 0.005 . 2 . . . . 9 LYS HE2 . 16842 1 69 . 1 1 9 9 LYS HG2 H 1 1.582 0.003 . 2 . . . . 9 LYS HG2 . 16842 1 70 . 1 1 9 9 LYS N N 15 125.272 0.000 . 1 . . . . 9 LYS N . 16842 1 71 . 1 1 10 10 ASN H H 1 8.849 0.002 . 1 . . . . 10 ASN H . 16842 1 72 . 1 1 10 10 ASN HA H 1 4.289 0.003 . 1 . . . . 10 ASN HA . 16842 1 73 . 1 1 10 10 ASN HB2 H 1 1.877 0.004 . 1 . . . . 10 ASN HB2 . 16842 1 74 . 1 1 10 10 ASN HB3 H 1 2.145 0.005 . 1 . . . . 10 ASN HB3 . 16842 1 75 . 1 1 10 10 ASN HD21 H 1 1.093 0.003 . 2 . . . . 10 ASN HD21 . 16842 1 76 . 1 1 10 10 ASN HD22 H 1 5.463 0.003 . 2 . . . . 10 ASN HD22 . 16842 1 77 . 1 1 10 10 ASN N N 15 114.016 0.000 . 1 . . . . 10 ASN N . 16842 1 78 . 1 1 10 10 ASN ND2 N 15 109.040 0.012 . 1 . . . . 10 ASN ND2 . 16842 1 79 . 1 1 11 11 GLY H H 1 6.963 0.003 . 1 . . . . 11 GLY H . 16842 1 80 . 1 1 11 11 GLY HA2 H 1 3.085 0.003 . 1 . . . . 11 GLY HA2 . 16842 1 81 . 1 1 11 11 GLY HA3 H 1 3.463 0.004 . 1 . . . . 11 GLY HA3 . 16842 1 82 . 1 1 11 11 GLY N N 15 110.585 0.000 . 1 . . . . 11 GLY N . 16842 1 83 . 1 1 12 12 ASP H H 1 8.080 0.002 . 1 . . . . 12 ASP H . 16842 1 84 . 1 1 12 12 ASP HA H 1 4.291 0.005 . 1 . . . . 12 ASP HA . 16842 1 85 . 1 1 12 12 ASP HB2 H 1 2.255 0.005 . 1 . . . . 12 ASP HB2 . 16842 1 86 . 1 1 12 12 ASP HB3 H 1 2.372 0.002 . 1 . . . . 12 ASP HB3 . 16842 1 87 . 1 1 12 12 ASP N N 15 129.379 0.000 . 1 . . . . 12 ASP N . 16842 1 88 . 1 1 13 13 VAL H H 1 8.613 0.003 . 1 . . . . 13 VAL H . 16842 1 89 . 1 1 13 13 VAL HA H 1 4.187 0.003 . 1 . . . . 13 VAL HA . 16842 1 90 . 1 1 13 13 VAL HB H 1 2.368 0.004 . 1 . . . . 13 VAL HB . 16842 1 91 . 1 1 13 13 VAL HG11 H 1 1.529 0.003 . 1 . . . . 13 VAL HG11 . 16842 1 92 . 1 1 13 13 VAL HG12 H 1 1.529 0.003 . 1 . . . . 13 VAL HG12 . 16842 1 93 . 1 1 13 13 VAL HG13 H 1 1.529 0.003 . 1 . . . . 13 VAL HG13 . 16842 1 94 . 1 1 13 13 VAL HG21 H 1 -0.834 0.002 . 1 . . . . 13 VAL HG21 . 16842 1 95 . 1 1 13 13 VAL HG22 H 1 -0.834 0.002 . 1 . . . . 13 VAL HG22 . 16842 1 96 . 1 1 13 13 VAL HG23 H 1 -0.834 0.002 . 1 . . . . 13 VAL HG23 . 16842 1 97 . 1 1 13 13 VAL N N 15 121.753 0.000 . 1 . . . . 13 VAL N . 16842 1 98 . 1 1 14 14 LYS H H 1 9.005 0.001 . 1 . . . . 14 LYS H . 16842 1 99 . 1 1 14 14 LYS HA H 1 4.499 0.002 . 1 . . . . 14 LYS HA . 16842 1 100 . 1 1 14 14 LYS HB2 H 1 1.772 0.005 . 1 . . . . 14 LYS HB2 . 16842 1 101 . 1 1 14 14 LYS HB3 H 1 1.918 0.004 . 1 . . . . 14 LYS HB3 . 16842 1 102 . 1 1 14 14 LYS HD2 H 1 1.630 0.004 . 2 . . . . 14 LYS HD2 . 16842 1 103 . 1 1 14 14 LYS HE2 H 1 2.857 0.000 . 2 . . . . 14 LYS HE2 . 16842 1 104 . 1 1 14 14 LYS HG2 H 1 1.105 0.005 . 2 . . . . 14 LYS HG2 . 16842 1 105 . 1 1 14 14 LYS HG3 H 1 1.247 0.004 . 2 . . . . 14 LYS HG3 . 16842 1 106 . 1 1 14 14 LYS N N 15 129.348 0.000 . 1 . . . . 14 LYS N . 16842 1 107 . 1 1 15 15 PHE H H 1 9.220 0.002 . 1 . . . . 15 PHE H . 16842 1 108 . 1 1 15 15 PHE HA H 1 5.518 0.002 . 1 . . . . 15 PHE HA . 16842 1 109 . 1 1 15 15 PHE HB2 H 1 3.452 0.002 . 1 . . . . 15 PHE HB2 . 16842 1 110 . 1 1 15 15 PHE HB3 H 1 3.266 0.009 . 1 . . . . 15 PHE HB3 . 16842 1 111 . 1 1 15 15 PHE HD1 H 1 6.105 0.001 . 3 . . . . 15 PHE HD1 . 16842 1 112 . 1 1 15 15 PHE HD2 H 1 5.549 0.001 . 3 . . . . 15 PHE HD2 . 16842 1 113 . 1 1 15 15 PHE HE1 H 1 6.239 0.004 . 3 . . . . 15 PHE HE1 . 16842 1 114 . 1 1 15 15 PHE HE2 H 1 0.716 0.002 . 3 . . . . 15 PHE HE2 . 16842 1 115 . 1 1 15 15 PHE HZ H 1 5.905 0.001 . 1 . . . . 15 PHE HZ . 16842 1 116 . 1 1 15 15 PHE N N 15 128.576 0.000 . 1 . . . . 15 PHE N . 16842 1 117 . 1 1 16 16 PRO HA H 1 4.580 0.005 . 1 . . . . 16 PRO HA . 16842 1 118 . 1 1 16 16 PRO HB2 H 1 1.584 0.002 . 2 . . . . 16 PRO HB2 . 16842 1 119 . 1 1 16 16 PRO HD2 H 1 2.692 0.002 . 2 . . . . 16 PRO HD2 . 16842 1 120 . 1 1 16 16 PRO HD3 H 1 4.405 0.001 . 2 . . . . 16 PRO HD3 . 16842 1 121 . 1 1 16 16 PRO HG2 H 1 0.680 0.003 . 1 . . . . 16 PRO HG2 . 16842 1 122 . 1 1 16 16 PRO HG3 H 1 1.838 0.003 . 1 . . . . 16 PRO HG3 . 16842 1 123 . 1 1 17 17 HIS H H 1 6.606 0.001 . 1 . . . . 17 HIS H . 16842 1 124 . 1 1 17 17 HIS HA H 1 0.927 0.004 . 1 . . . . 17 HIS HA . 16842 1 125 . 1 1 17 17 HIS HB2 H 1 0.536 0.004 . 2 . . . . 17 HIS HB2 . 16842 1 126 . 1 1 17 17 HIS HB3 H 1 1.158 0.002 . 2 . . . . 17 HIS HB3 . 16842 1 127 . 1 1 17 17 HIS HD1 H 1 8.681 0.002 . 1 . . . . 17 HIS HD1 . 16842 1 128 . 1 1 17 17 HIS HD2 H 1 -0.484 0.005 . 1 . . . . 17 HIS HD2 . 16842 1 129 . 1 1 17 17 HIS HE1 H 1 1.227 0.004 . 1 . . . . 17 HIS HE1 . 16842 1 130 . 1 1 17 17 HIS N N 15 132.191 0.000 . 1 . . . . 17 HIS N . 16842 1 131 . 1 1 17 17 HIS ND1 N 15 166.694 0.000 . 1 . . . . 17 HIS ND1 . 16842 1 132 . 1 1 18 18 LYS H H 1 7.304 0.003 . 1 . . . . 18 LYS H . 16842 1 133 . 1 1 18 18 LYS HA H 1 2.633 0.003 . 1 . . . . 18 LYS HA . 16842 1 134 . 1 1 18 18 LYS HB2 H 1 0.966 0.002 . 2 . . . . 18 LYS HB2 . 16842 1 135 . 1 1 18 18 LYS HB3 H 1 1.165 0.005 . 2 . . . . 18 LYS HB3 . 16842 1 136 . 1 1 18 18 LYS HD2 H 1 1.022 0.000 . 2 . . . . 18 LYS HD2 . 16842 1 137 . 1 1 18 18 LYS HE2 H 1 2.485 0.007 . 2 . . . . 18 LYS HE2 . 16842 1 138 . 1 1 18 18 LYS HG2 H 1 0.684 0.004 . 2 . . . . 18 LYS HG2 . 16842 1 139 . 1 1 18 18 LYS HG3 H 1 0.748 0.005 . 2 . . . . 18 LYS HG3 . 16842 1 140 . 1 1 18 18 LYS N N 15 118.010 0.000 . 1 . . . . 18 LYS N . 16842 1 141 . 1 1 19 19 ALA H H 1 7.073 0.003 . 1 . . . . 19 ALA H . 16842 1 142 . 1 1 19 19 ALA HA H 1 3.397 0.003 . 1 . . . . 19 ALA HA . 16842 1 143 . 1 1 19 19 ALA HB1 H 1 0.682 0.000 . 1 . . . . 19 ALA HB1 . 16842 1 144 . 1 1 19 19 ALA HB2 H 1 0.682 0.000 . 1 . . . . 19 ALA HB2 . 16842 1 145 . 1 1 19 19 ALA HB3 H 1 0.682 0.000 . 1 . . . . 19 ALA HB3 . 16842 1 146 . 1 1 19 19 ALA N N 15 120.296 0.000 . 1 . . . . 19 ALA N . 16842 1 147 . 1 1 20 20 HIS H H 1 6.332 0.002 . 1 . . . . 20 HIS H . 16842 1 148 . 1 1 20 20 HIS HA H 1 2.503 0.002 . 1 . . . . 20 HIS HA . 16842 1 149 . 1 1 20 20 HIS HB2 H 1 1.053 0.004 . 1 . . . . 20 HIS HB2 . 16842 1 150 . 1 1 20 20 HIS HB3 H 1 1.497 0.003 . 1 . . . . 20 HIS HB3 . 16842 1 151 . 1 1 20 20 HIS HD1 H 1 7.917 0.003 . 1 . . . . 20 HIS HD1 . 16842 1 152 . 1 1 20 20 HIS HD2 H 1 1.106 0.003 . 1 . . . . 20 HIS HD2 . 16842 1 153 . 1 1 20 20 HIS HE1 H 1 1.165 0.002 . 1 . . . . 20 HIS HE1 . 16842 1 154 . 1 1 20 20 HIS N N 15 116.314 0.000 . 1 . . . . 20 HIS N . 16842 1 155 . 1 1 20 20 HIS ND1 N 15 163.583 0.000 . 1 . . . . 20 HIS ND1 . 16842 1 156 . 1 1 21 21 GLN H H 1 6.891 0.002 . 1 . . . . 21 GLN H . 16842 1 157 . 1 1 21 21 GLN HA H 1 4.049 0.004 . 1 . . . . 21 GLN HA . 16842 1 158 . 1 1 21 21 GLN HB2 H 1 1.553 0.005 . 1 . . . . 21 GLN HB2 . 16842 1 159 . 1 1 21 21 GLN HB3 H 1 1.450 0.003 . 1 . . . . 21 GLN HB3 . 16842 1 160 . 1 1 21 21 GLN HE21 H 1 1.103 0.001 . 2 . . . . 21 GLN HE21 . 16842 1 161 . 1 1 21 21 GLN HE22 H 1 4.556 0.001 . 2 . . . . 21 GLN HE22 . 16842 1 162 . 1 1 21 21 GLN HG2 H 1 0.305 0.002 . 2 . . . . 21 GLN HG2 . 16842 1 163 . 1 1 21 21 GLN HG3 H 1 1.328 0.006 . 2 . . . . 21 GLN HG3 . 16842 1 164 . 1 1 21 21 GLN N N 15 117.409 0.000 . 1 . . . . 21 GLN N . 16842 1 165 . 1 1 21 21 GLN NE2 N 15 105.393 0.056 . 1 . . . . 21 GLN NE2 . 16842 1 166 . 1 1 22 22 LYS H H 1 6.632 0.003 . 1 . . . . 22 LYS H . 16842 1 167 . 1 1 22 22 LYS HA H 1 4.013 0.002 . 1 . . . . 22 LYS HA . 16842 1 168 . 1 1 22 22 LYS HB2 H 1 1.529 0.003 . 2 . . . . 22 LYS HB2 . 16842 1 169 . 1 1 22 22 LYS HB3 H 1 1.615 0.003 . 2 . . . . 22 LYS HB3 . 16842 1 170 . 1 1 22 22 LYS HD2 H 1 1.449 0.005 . 2 . . . . 22 LYS HD2 . 16842 1 171 . 1 1 22 22 LYS HE2 H 1 2.785 0.001 . 2 . . . . 22 LYS HE2 . 16842 1 172 . 1 1 22 22 LYS HG2 H 1 1.208 0.005 . 2 . . . . 22 LYS HG2 . 16842 1 173 . 1 1 22 22 LYS HG3 H 1 1.277 0.002 . 2 . . . . 22 LYS HG3 . 16842 1 174 . 1 1 22 22 LYS N N 15 115.057 0.000 . 1 . . . . 22 LYS N . 16842 1 175 . 1 1 23 23 ALA H H 1 6.991 0.002 . 1 . . . . 23 ALA H . 16842 1 176 . 1 1 23 23 ALA HA H 1 4.217 0.003 . 1 . . . . 23 ALA HA . 16842 1 177 . 1 1 23 23 ALA HB1 H 1 1.227 0.002 . 1 . . . . 23 ALA HB1 . 16842 1 178 . 1 1 23 23 ALA HB2 H 1 1.227 0.002 . 1 . . . . 23 ALA HB2 . 16842 1 179 . 1 1 23 23 ALA HB3 H 1 1.227 0.002 . 1 . . . . 23 ALA HB3 . 16842 1 180 . 1 1 23 23 ALA N N 15 120.221 0.000 . 1 . . . . 23 ALA N . 16842 1 181 . 1 1 24 24 VAL H H 1 8.386 0.003 . 1 . . . . 24 VAL H . 16842 1 182 . 1 1 24 24 VAL HA H 1 4.615 0.001 . 1 . . . . 24 VAL HA . 16842 1 183 . 1 1 24 24 VAL HB H 1 2.728 0.002 . 1 . . . . 24 VAL HB . 16842 1 184 . 1 1 24 24 VAL HG11 H 1 1.535 0.002 . 1 . . . . 24 VAL HG11 . 16842 1 185 . 1 1 24 24 VAL HG12 H 1 1.535 0.002 . 1 . . . . 24 VAL HG12 . 16842 1 186 . 1 1 24 24 VAL HG13 H 1 1.535 0.002 . 1 . . . . 24 VAL HG13 . 16842 1 187 . 1 1 24 24 VAL HG21 H 1 1.306 0.002 . 1 . . . . 24 VAL HG21 . 16842 1 188 . 1 1 24 24 VAL HG22 H 1 1.306 0.002 . 1 . . . . 24 VAL HG22 . 16842 1 189 . 1 1 24 24 VAL HG23 H 1 1.306 0.002 . 1 . . . . 24 VAL HG23 . 16842 1 190 . 1 1 24 24 VAL N N 15 120.630 0.000 . 1 . . . . 24 VAL N . 16842 1 191 . 1 1 25 25 PRO HA H 1 4.770 0.003 . 1 . . . . 25 PRO HA . 16842 1 192 . 1 1 25 25 PRO HB2 H 1 2.199 0.003 . 2 . . . . 25 PRO HB2 . 16842 1 193 . 1 1 25 25 PRO HB3 H 1 2.385 0.002 . 2 . . . . 25 PRO HB3 . 16842 1 194 . 1 1 25 25 PRO HD2 H 1 3.676 0.004 . 2 . . . . 25 PRO HD2 . 16842 1 195 . 1 1 25 25 PRO HD3 H 1 3.898 0.001 . 2 . . . . 25 PRO HD3 . 16842 1 196 . 1 1 25 25 PRO HG2 H 1 2.094 0.002 . 2 . . . . 25 PRO HG2 . 16842 1 197 . 1 1 26 26 ASP H H 1 7.827 0.004 . 1 . . . . 26 ASP H . 16842 1 198 . 1 1 26 26 ASP HA H 1 5.107 0.003 . 1 . . . . 26 ASP HA . 16842 1 199 . 1 1 26 26 ASP HB2 H 1 2.763 0.003 . 1 . . . . 26 ASP HB2 . 16842 1 200 . 1 1 26 26 ASP HB3 H 1 3.011 0.007 . 1 . . . . 26 ASP HB3 . 16842 1 201 . 1 1 26 26 ASP N N 15 117.455 0.000 . 1 . . . . 26 ASP N . 16842 1 202 . 1 1 27 27 CYS H H 1 8.574 0.004 . 1 . . . . 27 CYS H . 16842 1 203 . 1 1 27 27 CYS HA H 1 4.986 0.003 . 1 . . . . 27 CYS HA . 16842 1 204 . 1 1 27 27 CYS HB2 H 1 2.582 0.005 . 2 . . . . 27 CYS HB2 . 16842 1 205 . 1 1 27 27 CYS HB3 H 1 2.480 0.005 . 2 . . . . 27 CYS HB3 . 16842 1 206 . 1 1 27 27 CYS N N 15 123.666 0.000 . 1 . . . . 27 CYS N . 16842 1 207 . 1 1 28 28 LYS H H 1 8.107 0.002 . 1 . . . . 28 LYS H . 16842 1 208 . 1 1 28 28 LYS HA H 1 3.519 0.003 . 1 . . . . 28 LYS HA . 16842 1 209 . 1 1 28 28 LYS HB2 H 1 1.265 0.004 . 2 . . . . 28 LYS HB2 . 16842 1 210 . 1 1 28 28 LYS HB3 H 1 1.737 0.001 . 2 . . . . 28 LYS HB3 . 16842 1 211 . 1 1 28 28 LYS HD2 H 1 1.605 0.000 . 2 . . . . 28 LYS HD2 . 16842 1 212 . 1 1 28 28 LYS HE2 H 1 2.905 0.002 . 2 . . . . 28 LYS HE2 . 16842 1 213 . 1 1 28 28 LYS HG2 H 1 1.634 0.001 . 2 . . . . 28 LYS HG2 . 16842 1 214 . 1 1 28 28 LYS HG3 H 1 1.334 0.001 . 2 . . . . 28 LYS HG3 . 16842 1 215 . 1 1 28 28 LYS N N 15 114.398 0.000 . 1 . . . . 28 LYS N . 16842 1 216 . 1 1 29 29 LYS H H 1 7.776 0.003 . 1 . . . . 29 LYS H . 16842 1 217 . 1 1 29 29 LYS HA H 1 4.061 0.003 . 1 . . . . 29 LYS HA . 16842 1 218 . 1 1 29 29 LYS HB2 H 1 1.894 0.003 . 2 . . . . 29 LYS HB2 . 16842 1 219 . 1 1 29 29 LYS HB3 H 1 2.158 0.002 . 2 . . . . 29 LYS HB3 . 16842 1 220 . 1 1 29 29 LYS HD2 H 1 1.970 0.002 . 2 . . . . 29 LYS HD2 . 16842 1 221 . 1 1 29 29 LYS HD3 H 1 2.067 0.000 . 2 . . . . 29 LYS HD3 . 16842 1 222 . 1 1 29 29 LYS HE2 H 1 3.370 0.003 . 2 . . . . 29 LYS HE2 . 16842 1 223 . 1 1 29 29 LYS HG2 H 1 1.819 0.003 . 2 . . . . 29 LYS HG2 . 16842 1 224 . 1 1 29 29 LYS HG3 H 1 2.248 0.004 . 2 . . . . 29 LYS HG3 . 16842 1 225 . 1 1 29 29 LYS N N 15 118.555 0.000 . 1 . . . . 29 LYS N . 16842 1 226 . 1 1 30 30 CYS H H 1 6.309 0.004 . 1 . . . . 30 CYS HN . 16842 1 227 . 1 1 30 30 CYS HA H 1 4.654 0.005 . 1 . . . . 30 CYS HA . 16842 1 228 . 1 1 30 30 CYS HB2 H 1 1.026 0.004 . 1 . . . . 30 CYS HB2 . 16842 1 229 . 1 1 30 30 CYS HB3 H 1 2.264 0.002 . 1 . . . . 30 CYS HB3 . 16842 1 230 . 1 1 30 30 CYS N N 15 111.535 0.002 . 1 . . . . 30 CYS N . 16842 1 231 . 1 1 31 31 HIS H H 1 7.125 0.002 . 1 . . . . 31 HIS H . 16842 1 232 . 1 1 31 31 HIS HA H 1 3.118 0.005 . 1 . . . . 31 HIS HA . 16842 1 233 . 1 1 31 31 HIS HB2 H 1 0.898 0.003 . 2 . . . . 31 HIS HB2 . 16842 1 234 . 1 1 31 31 HIS HD1 H 1 8.500 0.002 . 1 . . . . 31 HIS HD1 . 16842 1 235 . 1 1 31 31 HIS HD2 H 1 0.563 0.002 . 1 . . . . 31 HIS HD2 . 16842 1 236 . 1 1 31 31 HIS HE1 H 1 1.394 0.003 . 1 . . . . 31 HIS HE1 . 16842 1 237 . 1 1 31 31 HIS N N 15 118.451 0.000 . 1 . . . . 31 HIS N . 16842 1 238 . 1 1 31 31 HIS ND1 N 15 163.533 0.000 . 1 . . . . 31 HIS ND1 . 16842 1 239 . 1 1 32 32 GLU H H 1 8.019 0.003 . 1 . . . . 32 GLU H . 16842 1 240 . 1 1 32 32 GLU HA H 1 3.722 0.002 . 1 . . . . 32 GLU HA . 16842 1 241 . 1 1 32 32 GLU HB2 H 1 1.740 0.004 . 2 . . . . 32 GLU HB2 . 16842 1 242 . 1 1 32 32 GLU HB3 H 1 1.858 0.005 . 2 . . . . 32 GLU HB3 . 16842 1 243 . 1 1 32 32 GLU HG2 H 1 2.062 0.005 . 2 . . . . 32 GLU HG2 . 16842 1 244 . 1 1 32 32 GLU N N 15 125.219 0.000 . 1 . . . . 32 GLU N . 16842 1 245 . 1 1 33 33 LYS H H 1 8.211 0.004 . 1 . . . . 33 LYS H . 16842 1 246 . 1 1 33 33 LYS HA H 1 4.245 0.005 . 1 . . . . 33 LYS HA . 16842 1 247 . 1 1 33 33 LYS HB2 H 1 1.433 0.004 . 1 . . . . 33 LYS HB2 . 16842 1 248 . 1 1 33 33 LYS HB3 H 1 1.887 0.002 . 1 . . . . 33 LYS HB3 . 16842 1 249 . 1 1 33 33 LYS HD2 H 1 1.522 0.001 . 2 . . . . 33 LYS HD2 . 16842 1 250 . 1 1 33 33 LYS HE2 H 1 2.869 0.005 . 2 . . . . 33 LYS HE2 . 16842 1 251 . 1 1 33 33 LYS HG2 H 1 1.172 0.004 . 2 . . . . 33 LYS HG2 . 16842 1 252 . 1 1 33 33 LYS HG3 H 1 1.299 0.005 . 2 . . . . 33 LYS HG3 . 16842 1 253 . 1 1 33 33 LYS N N 15 114.956 0.000 . 1 . . . . 33 LYS N . 16842 1 254 . 1 1 34 34 GLY H H 1 6.658 0.003 . 1 . . . . 34 GLY H . 16842 1 255 . 1 1 34 34 GLY HA2 H 1 3.351 0.003 . 2 . . . . 34 GLY HA2 . 16842 1 256 . 1 1 34 34 GLY HA3 H 1 4.026 0.002 . 2 . . . . 34 GLY HA3 . 16842 1 257 . 1 1 34 34 GLY N N 15 107.392 0.000 . 1 . . . . 34 GLY N . 16842 1 258 . 1 1 35 35 PRO HA H 1 0.741 0.002 . 1 . . . . 35 PRO HA . 16842 1 259 . 1 1 35 35 PRO HB2 H 1 1.692 0.005 . 2 . . . . 35 PRO HB2 . 16842 1 260 . 1 1 35 35 PRO HB3 H 1 1.734 0.004 . 2 . . . . 35 PRO HB3 . 16842 1 261 . 1 1 35 35 PRO HD2 H 1 3.131 0.004 . 2 . . . . 35 PRO HD2 . 16842 1 262 . 1 1 35 35 PRO HD3 H 1 3.223 0.002 . 2 . . . . 35 PRO HD3 . 16842 1 263 . 1 1 35 35 PRO HG2 H 1 1.156 0.004 . 2 . . . . 35 PRO HG2 . 16842 1 264 . 1 1 35 35 PRO HG3 H 1 2.073 0.001 . 2 . . . . 35 PRO HG3 . 16842 1 265 . 1 1 36 36 GLY H H 1 3.888 0.004 . 1 . . . . 36 GLY H . 16842 1 266 . 1 1 36 36 GLY HA2 H 1 3.362 0.003 . 2 . . . . 36 GLY HA2 . 16842 1 267 . 1 1 36 36 GLY HA3 H 1 4.023 0.002 . 2 . . . . 36 GLY HA3 . 16842 1 268 . 1 1 36 36 GLY N N 15 109.171 0.000 . 1 . . . . 36 GLY N . 16842 1 269 . 1 1 37 37 LYS H H 1 7.982 0.003 . 1 . . . . 37 LYS H . 16842 1 270 . 1 1 37 37 LYS HA H 1 4.121 0.002 . 1 . . . . 37 LYS HA . 16842 1 271 . 1 1 37 37 LYS HB2 H 1 1.694 0.001 . 2 . . . . 37 LYS HB2 . 16842 1 272 . 1 1 37 37 LYS HD2 H 1 1.915 0.001 . 2 . . . . 37 LYS HD2 . 16842 1 273 . 1 1 37 37 LYS HG2 H 1 1.644 0.002 . 2 . . . . 37 LYS HG2 . 16842 1 274 . 1 1 37 37 LYS HG3 H 1 1.798 0.000 . 2 . . . . 37 LYS HG3 . 16842 1 275 . 1 1 37 37 LYS N N 15 116.609 0.000 . 1 . . . . 37 LYS N . 16842 1 276 . 1 1 38 38 ILE H H 1 10.233 0.003 . 1 . . . . 38 ILE H . 16842 1 277 . 1 1 38 38 ILE HA H 1 3.718 0.002 . 1 . . . . 38 ILE HA . 16842 1 278 . 1 1 38 38 ILE HB H 1 1.599 0.003 . 1 . . . . 38 ILE HB . 16842 1 279 . 1 1 38 38 ILE HD11 H 1 -0.470 0.002 . 1 . . . . 38 ILE HD11 . 16842 1 280 . 1 1 38 38 ILE HD12 H 1 -0.470 0.002 . 1 . . . . 38 ILE HD12 . 16842 1 281 . 1 1 38 38 ILE HD13 H 1 -0.470 0.002 . 1 . . . . 38 ILE HD13 . 16842 1 282 . 1 1 38 38 ILE HG12 H 1 -0.203 0.003 . 1 . . . . 38 ILE HG12 . 16842 1 283 . 1 1 38 38 ILE HG13 H 1 0.660 0.006 . 1 . . . . 38 ILE HG13 . 16842 1 284 . 1 1 38 38 ILE HG21 H 1 0.827 0.003 . 1 . . . . 38 ILE HG21 . 16842 1 285 . 1 1 38 38 ILE HG22 H 1 0.827 0.003 . 1 . . . . 38 ILE HG22 . 16842 1 286 . 1 1 38 38 ILE HG23 H 1 0.827 0.003 . 1 . . . . 38 ILE HG23 . 16842 1 287 . 1 1 38 38 ILE N N 15 128.245 0.000 . 1 . . . . 38 ILE N . 16842 1 288 . 1 1 39 39 GLU H H 1 8.626 0.004 . 1 . . . . 39 GLU H . 16842 1 289 . 1 1 39 39 GLU HA H 1 4.050 0.002 . 1 . . . . 39 GLU HA . 16842 1 290 . 1 1 39 39 GLU HB2 H 1 1.893 0.003 . 2 . . . . 39 GLU HB2 . 16842 1 291 . 1 1 39 39 GLU HG2 H 1 2.206 0.004 . 2 . . . . 39 GLU HG2 . 16842 1 292 . 1 1 39 39 GLU N N 15 130.735 0.000 . 1 . . . . 39 GLU N . 16842 1 293 . 1 1 40 40 GLY H H 1 9.163 0.002 . 1 . . . . 40 GLY H . 16842 1 294 . 1 1 40 40 GLY HA2 H 1 3.809 0.008 . 2 . . . . 40 GLY HA2 . 16842 1 295 . 1 1 40 40 GLY HA3 H 1 4.136 0.006 . 2 . . . . 40 GLY HA3 . 16842 1 296 . 1 1 40 40 GLY N N 15 113.031 0.000 . 1 . . . . 40 GLY N . 16842 1 297 . 1 1 41 41 PHE H H 1 8.006 0.005 . 1 . . . . 41 PHE H . 16842 1 298 . 1 1 41 41 PHE HA H 1 4.408 0.002 . 1 . . . . 41 PHE HA . 16842 1 299 . 1 1 41 41 PHE HB2 H 1 3.369 0.002 . 1 . . . . 41 PHE HB2 . 16842 1 300 . 1 1 41 41 PHE HB3 H 1 3.293 0.002 . 1 . . . . 41 PHE HB3 . 16842 1 301 . 1 1 41 41 PHE HD2 H 1 7.654 0.004 . 3 . . . . 41 PHE HD2 . 16842 1 302 . 1 1 41 41 PHE HE2 H 1 7.993 0.007 . 3 . . . . 41 PHE HE2 . 16842 1 303 . 1 1 41 41 PHE HZ H 1 8.257 0.003 . 1 . . . . 41 PHE HZ . 16842 1 304 . 1 1 41 41 PHE N N 15 121.572 0.000 . 1 . . . . 41 PHE N . 16842 1 305 . 1 1 42 42 GLY H H 1 5.929 0.004 . 1 . . . . 42 GLY H . 16842 1 306 . 1 1 42 42 GLY HA2 H 1 4.286 0.003 . 2 . . . . 42 GLY HA2 . 16842 1 307 . 1 1 42 42 GLY N N 15 114.663 0.000 . 1 . . . . 42 GLY N . 16842 1 308 . 1 1 43 43 LYS H H 1 8.962 0.002 . 1 . . . . 43 LYS H . 16842 1 309 . 1 1 43 43 LYS HA H 1 2.433 0.004 . 1 . . . . 43 LYS HA . 16842 1 310 . 1 1 43 43 LYS HB2 H 1 1.394 0.003 . 2 . . . . 43 LYS HB2 . 16842 1 311 . 1 1 43 43 LYS HD2 H 1 1.288 0.003 . 2 . . . . 43 LYS HD2 . 16842 1 312 . 1 1 43 43 LYS HD3 H 1 -0.599 0.002 . 2 . . . . 43 LYS HD3 . 16842 1 313 . 1 1 43 43 LYS HE2 H 1 2.177 0.001 . 2 . . . . 43 LYS HE2 . 16842 1 314 . 1 1 43 43 LYS HE3 H 1 2.268 0.003 . 2 . . . . 43 LYS HE3 . 16842 1 315 . 1 1 43 43 LYS HG2 H 1 -1.275 0.002 . 2 . . . . 43 LYS HG2 . 16842 1 316 . 1 1 43 43 LYS HG3 H 1 1.757 0.001 . 2 . . . . 43 LYS HG3 . 16842 1 317 . 1 1 43 43 LYS N N 15 122.906 0.000 . 1 . . . . 43 LYS N . 16842 1 318 . 1 1 44 44 GLU H H 1 8.071 0.002 . 1 . . . . 44 GLU H . 16842 1 319 . 1 1 44 44 GLU HA H 1 3.117 0.003 . 1 . . . . 44 GLU HA . 16842 1 320 . 1 1 44 44 GLU HB2 H 1 1.617 0.006 . 2 . . . . 44 GLU HB2 . 16842 1 321 . 1 1 44 44 GLU HB3 H 1 1.668 0.004 . 2 . . . . 44 GLU HB3 . 16842 1 322 . 1 1 44 44 GLU HG2 H 1 1.964 0.001 . 2 . . . . 44 GLU HG2 . 16842 1 323 . 1 1 44 44 GLU HG3 H 1 2.004 0.004 . 2 . . . . 44 GLU HG3 . 16842 1 324 . 1 1 44 44 GLU N N 15 114.891 0.000 . 1 . . . . 44 GLU N . 16842 1 325 . 1 1 45 45 MET H H 1 7.647 0.004 . 1 . . . . 45 MET H . 16842 1 326 . 1 1 45 45 MET HA H 1 3.931 0.003 . 1 . . . . 45 MET HA . 16842 1 327 . 1 1 45 45 MET HB2 H 1 2.399 0.003 . 2 . . . . 45 MET HB2 . 16842 1 328 . 1 1 45 45 MET HB3 H 1 1.762 0.004 . 2 . . . . 45 MET HB3 . 16842 1 329 . 1 1 45 45 MET HE1 H 1 2.119 0.003 . 1 . . . . 45 MET HE1 . 16842 1 330 . 1 1 45 45 MET HE2 H 1 2.119 0.003 . 1 . . . . 45 MET HE2 . 16842 1 331 . 1 1 45 45 MET HE3 H 1 2.119 0.003 . 1 . . . . 45 MET HE3 . 16842 1 332 . 1 1 45 45 MET HG2 H 1 2.612 0.002 . 2 . . . . 45 MET HG2 . 16842 1 333 . 1 1 45 45 MET HG3 H 1 1.674 0.005 . 2 . . . . 45 MET HG3 . 16842 1 334 . 1 1 45 45 MET N N 15 117.869 0.000 . 1 . . . . 45 MET N . 16842 1 335 . 1 1 46 46 ALA H H 1 8.009 0.004 . 1 . . . . 46 ALA H . 16842 1 336 . 1 1 46 46 ALA HA H 1 4.095 0.003 . 1 . . . . 46 ALA HA . 16842 1 337 . 1 1 46 46 ALA HB1 H 1 0.817 0.002 . 1 . . . . 46 ALA HB1 . 16842 1 338 . 1 1 46 46 ALA HB2 H 1 0.817 0.002 . 1 . . . . 46 ALA HB2 . 16842 1 339 . 1 1 46 46 ALA HB3 H 1 0.817 0.002 . 1 . . . . 46 ALA HB3 . 16842 1 340 . 1 1 46 46 ALA N N 15 122.299 0.000 . 1 . . . . 46 ALA N . 16842 1 341 . 1 1 47 47 HIS H H 1 6.989 0.002 . 1 . . . . 47 HIS H . 16842 1 342 . 1 1 47 47 HIS HA H 1 2.763 0.004 . 1 . . . . 47 HIS HA . 16842 1 343 . 1 1 47 47 HIS HB2 H 1 1.419 0.004 . 2 . . . . 47 HIS HB2 . 16842 1 344 . 1 1 47 47 HIS HB3 H 1 1.564 0.007 . 2 . . . . 47 HIS HB3 . 16842 1 345 . 1 1 47 47 HIS HD1 H 1 9.601 0.002 . 1 . . . . 47 HIS HD1 . 16842 1 346 . 1 1 47 47 HIS HD2 H 1 0.700 0.005 . 1 . . . . 47 HIS HD2 . 16842 1 347 . 1 1 47 47 HIS HE1 H 1 1.498 0.000 . 1 . . . . 47 HIS HE1 . 16842 1 348 . 1 1 47 47 HIS N N 15 113.277 0.000 . 1 . . . . 47 HIS N . 16842 1 349 . 1 1 47 47 HIS ND1 N 15 164.829 0.000 . 1 . . . . 47 HIS ND1 . 16842 1 350 . 1 1 48 48 GLY H H 1 6.716 0.002 . 1 . . . . 48 GLY H . 16842 1 351 . 1 1 48 48 GLY HA2 H 1 4.029 0.003 . 1 . . . . 48 GLY HA2 . 16842 1 352 . 1 1 48 48 GLY HA3 H 1 3.355 0.001 . 1 . . . . 48 GLY HA3 . 16842 1 353 . 1 1 48 48 GLY N N 15 109.441 0.000 . 1 . . . . 48 GLY N . 16842 1 354 . 1 1 49 49 LYS H H 1 8.754 0.002 . 1 . . . . 49 LYS H . 16842 1 355 . 1 1 49 49 LYS HA H 1 3.748 0.003 . 1 . . . . 49 LYS HA . 16842 1 356 . 1 1 49 49 LYS HB2 H 1 1.888 0.002 . 2 . . . . 49 LYS HB2 . 16842 1 357 . 1 1 49 49 LYS HD2 H 1 1.674 0.002 . 2 . . . . 49 LYS HD2 . 16842 1 358 . 1 1 49 49 LYS HE2 H 1 2.996 0.001 . 2 . . . . 49 LYS HE2 . 16842 1 359 . 1 1 49 49 LYS HG2 H 1 1.471 0.003 . 2 . . . . 49 LYS HG2 . 16842 1 360 . 1 1 49 49 LYS N N 15 124.763 0.000 . 1 . . . . 49 LYS N . 16842 1 361 . 1 1 50 50 GLY H H 1 8.484 0.003 . 1 . . . . 50 GLY H . 16842 1 362 . 1 1 50 50 GLY HA2 H 1 4.408 0.001 . 1 . . . . 50 GLY HA2 . 16842 1 363 . 1 1 50 50 GLY HA3 H 1 3.746 0.004 . 1 . . . . 50 GLY HA3 . 16842 1 364 . 1 1 50 50 GLY N N 15 105.588 0.000 . 1 . . . . 50 GLY N . 16842 1 365 . 1 1 51 51 CYS H H 1 6.721 0.002 . 1 . . . . 51 CYS H . 16842 1 366 . 1 1 51 51 CYS HA H 1 5.646 0.003 . 1 . . . . 51 CYS HA . 16842 1 367 . 1 1 51 51 CYS HB2 H 1 3.610 0.002 . 1 . . . . 51 CYS HB2 . 16842 1 368 . 1 1 51 51 CYS HB3 H 1 2.627 0.001 . 1 . . . . 51 CYS HB3 . 16842 1 369 . 1 1 51 51 CYS N N 15 111.007 0.000 . 1 . . . . 51 CYS N . 16842 1 370 . 1 1 52 52 LYS H H 1 7.998 0.002 . 1 . . . . 52 LYS H . 16842 1 371 . 1 1 52 52 LYS HA H 1 2.504 0.003 . 1 . . . . 52 LYS HA . 16842 1 372 . 1 1 52 52 LYS HB2 H 1 1.289 0.003 . 2 . . . . 52 LYS HB2 . 16842 1 373 . 1 1 52 52 LYS HG2 H 1 1.038 0.005 . 2 . . . . 52 LYS HG2 . 16842 1 374 . 1 1 52 52 LYS HG3 H 1 1.081 0.004 . 2 . . . . 52 LYS HG3 . 16842 1 375 . 1 1 52 52 LYS N N 15 120.154 0.000 . 1 . . . . 52 LYS N . 16842 1 376 . 1 1 53 53 GLY H H 1 8.521 0.002 . 1 . . . . 53 GLY H . 16842 1 377 . 1 1 53 53 GLY HA2 H 1 3.591 0.002 . 1 . . . . 53 GLY HA2 . 16842 1 378 . 1 1 53 53 GLY HA3 H 1 3.349 0.003 . 1 . . . . 53 GLY HA3 . 16842 1 379 . 1 1 53 53 GLY N N 15 102.454 0.000 . 1 . . . . 53 GLY N . 16842 1 380 . 1 1 54 54 CYS H H 1 6.597 0.002 . 1 . . . . 54 CYS HN . 16842 1 381 . 1 1 54 54 CYS HA H 1 4.423 0.002 . 1 . . . . 54 CYS HA . 16842 1 382 . 1 1 54 54 CYS HB2 H 1 2.452 0.003 . 2 . . . . 54 CYS HB2 . 16842 1 383 . 1 1 54 54 CYS HB3 H 1 3.709 0.005 . 2 . . . . 54 CYS HB3 . 16842 1 384 . 1 1 54 54 CYS N N 15 120.751 0.005 . 1 . . . . 54 CYS N . 16842 1 385 . 1 1 55 55 HIS H H 1 5.405 0.002 . 1 . . . . 55 HIS H . 16842 1 386 . 1 1 55 55 HIS HA H 1 3.741 0.005 . 1 . . . . 55 HIS HA . 16842 1 387 . 1 1 55 55 HIS HB2 H 1 1.649 0.006 . 1 . . . . 55 HIS HB2 . 16842 1 388 . 1 1 55 55 HIS HB3 H 1 1.427 0.006 . 1 . . . . 55 HIS HB3 . 16842 1 389 . 1 1 55 55 HIS HD1 H 1 9.601 0.002 . 1 . . . . 55 HIS HD1 . 16842 1 390 . 1 1 55 55 HIS HD2 H 1 1.085 0.003 . 1 . . . . 55 HIS HD2 . 16842 1 391 . 1 1 55 55 HIS HE1 H 1 1.590 0.003 . 1 . . . . 55 HIS HE1 . 16842 1 392 . 1 1 55 55 HIS N N 15 117.652 0.000 . 1 . . . . 55 HIS N . 16842 1 393 . 1 1 55 55 HIS ND1 N 15 164.845 0.000 . 1 . . . . 55 HIS ND1 . 16842 1 394 . 1 1 56 56 GLU H H 1 7.993 0.002 . 1 . . . . 56 GLU H . 16842 1 395 . 1 1 56 56 GLU HA H 1 3.648 0.003 . 1 . . . . 56 GLU HA . 16842 1 396 . 1 1 56 56 GLU HB2 H 1 1.954 0.003 . 2 . . . . 56 GLU HB2 . 16842 1 397 . 1 1 56 56 GLU HB3 H 1 1.785 0.001 . 2 . . . . 56 GLU HB3 . 16842 1 398 . 1 1 56 56 GLU HG2 H 1 1.863 0.001 . 2 . . . . 56 GLU HG2 . 16842 1 399 . 1 1 56 56 GLU HG3 H 1 2.116 0.005 . 2 . . . . 56 GLU HG3 . 16842 1 400 . 1 1 56 56 GLU N N 15 116.899 0.000 . 1 . . . . 56 GLU N . 16842 1 401 . 1 1 57 57 GLU H H 1 7.527 0.002 . 1 . . . . 57 GLU H . 16842 1 402 . 1 1 57 57 GLU HA H 1 4.041 0.002 . 1 . . . . 57 GLU HA . 16842 1 403 . 1 1 57 57 GLU HB2 H 1 2.207 0.003 . 2 . . . . 57 GLU HB2 . 16842 1 404 . 1 1 57 57 GLU HG2 H 1 2.326 0.004 . 2 . . . . 57 GLU HG2 . 16842 1 405 . 1 1 57 57 GLU HG3 H 1 2.394 0.001 . 2 . . . . 57 GLU HG3 . 16842 1 406 . 1 1 57 57 GLU N N 15 120.415 0.000 . 1 . . . . 57 GLU N . 16842 1 407 . 1 1 58 58 MET H H 1 8.859 0.002 . 1 . . . . 58 MET H . 16842 1 408 . 1 1 58 58 MET HA H 1 4.378 0.003 . 1 . . . . 58 MET HA . 16842 1 409 . 1 1 58 58 MET HB2 H 1 2.239 0.004 . 1 . . . . 58 MET HB2 . 16842 1 410 . 1 1 58 58 MET HB3 H 1 2.410 0.003 . 1 . . . . 58 MET HB3 . 16842 1 411 . 1 1 58 58 MET HE1 H 1 2.667 0.003 . 1 . . . . 58 MET HE1 . 16842 1 412 . 1 1 58 58 MET HE2 H 1 2.667 0.003 . 1 . . . . 58 MET HE2 . 16842 1 413 . 1 1 58 58 MET HE3 H 1 2.667 0.003 . 1 . . . . 58 MET HE3 . 16842 1 414 . 1 1 58 58 MET HG2 H 1 2.969 0.004 . 2 . . . . 58 MET HG2 . 16842 1 415 . 1 1 58 58 MET HG3 H 1 3.420 0.001 . 2 . . . . 58 MET HG3 . 16842 1 416 . 1 1 58 58 MET N N 15 115.185 0.000 . 1 . . . . 58 MET N . 16842 1 417 . 1 1 59 59 LYS H H 1 7.711 0.002 . 1 . . . . 59 LYS H . 16842 1 418 . 1 1 59 59 LYS HA H 1 3.730 0.004 . 1 . . . . 59 LYS HA . 16842 1 419 . 1 1 59 59 LYS HB2 H 1 2.167 0.002 . 2 . . . . 59 LYS HB2 . 16842 1 420 . 1 1 59 59 LYS HB3 H 1 1.378 0.002 . 2 . . . . 59 LYS HB3 . 16842 1 421 . 1 1 59 59 LYS HD2 H 1 1.951 0.004 . 2 . . . . 59 LYS HD2 . 16842 1 422 . 1 1 59 59 LYS HG2 H 1 1.339 0.003 . 2 . . . . 59 LYS HG2 . 16842 1 423 . 1 1 59 59 LYS N N 15 114.315 0.000 . 1 . . . . 59 LYS N . 16842 1 424 . 1 1 60 60 LYS H H 1 7.592 0.003 . 1 . . . . 60 LYS H . 16842 1 425 . 1 1 60 60 LYS HA H 1 4.311 0.001 . 1 . . . . 60 LYS HA . 16842 1 426 . 1 1 60 60 LYS HB2 H 1 1.666 0.004 . 2 . . . . 60 LYS HB2 . 16842 1 427 . 1 1 60 60 LYS HB3 H 1 2.098 0.003 . 2 . . . . 60 LYS HB3 . 16842 1 428 . 1 1 60 60 LYS HD2 H 1 1.894 0.000 . 2 . . . . 60 LYS HD2 . 16842 1 429 . 1 1 60 60 LYS HD3 H 1 1.798 0.000 . 2 . . . . 60 LYS HD3 . 16842 1 430 . 1 1 60 60 LYS HE2 H 1 3.306 0.002 . 2 . . . . 60 LYS HE2 . 16842 1 431 . 1 1 60 60 LYS HG2 H 1 1.624 0.004 . 2 . . . . 60 LYS HG2 . 16842 1 432 . 1 1 60 60 LYS HG3 H 1 2.054 0.005 . 2 . . . . 60 LYS HG3 . 16842 1 433 . 1 1 60 60 LYS N N 15 118.457 0.000 . 1 . . . . 60 LYS N . 16842 1 434 . 1 1 61 61 GLY H H 1 7.566 0.001 . 1 . . . . 61 GLY H . 16842 1 435 . 1 1 61 61 GLY HA2 H 1 2.558 0.003 . 1 . . . . 61 GLY HA2 . 16842 1 436 . 1 1 61 61 GLY HA3 H 1 1.148 0.006 . 1 . . . . 61 GLY HA3 . 16842 1 437 . 1 1 61 61 GLY N N 15 103.599 0.000 . 1 . . . . 61 GLY N . 16842 1 438 . 1 1 62 62 PRO HA H 1 3.980 0.001 . 1 . . . . 62 PRO HA . 16842 1 439 . 1 1 62 62 PRO HB2 H 1 1.974 0.002 . 2 . . . . 62 PRO HB2 . 16842 1 440 . 1 1 62 62 PRO HB3 H 1 2.014 0.005 . 2 . . . . 62 PRO HB3 . 16842 1 441 . 1 1 62 62 PRO HD2 H 1 -0.711 0.002 . 1 . . . . 62 PRO HD2 . 16842 1 442 . 1 1 62 62 PRO HD3 H 1 2.453 0.004 . 1 . . . . 62 PRO HD3 . 16842 1 443 . 1 1 62 62 PRO HG2 H 1 1.017 0.005 . 1 . . . . 62 PRO HG2 . 16842 1 444 . 1 1 62 62 PRO HG3 H 1 1.911 0.001 . 1 . . . . 62 PRO HG3 . 16842 1 445 . 1 1 63 63 THR H H 1 8.305 0.002 . 1 . . . . 63 THR H . 16842 1 446 . 1 1 63 63 THR HA H 1 4.409 0.003 . 1 . . . . 63 THR HA . 16842 1 447 . 1 1 63 63 THR HB H 1 4.265 0.002 . 1 . . . . 63 THR HB . 16842 1 448 . 1 1 63 63 THR HG21 H 1 0.694 0.002 . 1 . . . . 63 THR HG21 . 16842 1 449 . 1 1 63 63 THR HG22 H 1 0.694 0.002 . 1 . . . . 63 THR HG22 . 16842 1 450 . 1 1 63 63 THR HG23 H 1 0.694 0.002 . 1 . . . . 63 THR HG23 . 16842 1 451 . 1 1 63 63 THR N N 15 108.684 0.000 . 1 . . . . 63 THR N . 16842 1 452 . 1 1 64 64 LYS H H 1 8.462 0.002 . 1 . . . . 64 LYS H . 16842 1 453 . 1 1 64 64 LYS HA H 1 5.157 0.005 . 1 . . . . 64 LYS HA . 16842 1 454 . 1 1 64 64 LYS HB2 H 1 1.707 0.003 . 1 . . . . 64 LYS HB2 . 16842 1 455 . 1 1 64 64 LYS HB3 H 1 2.140 0.004 . 1 . . . . 64 LYS HB3 . 16842 1 456 . 1 1 64 64 LYS HD2 H 1 1.730 0.001 . 2 . . . . 64 LYS HD2 . 16842 1 457 . 1 1 64 64 LYS HE2 H 1 3.024 0.000 . 2 . . . . 64 LYS HE2 . 16842 1 458 . 1 1 64 64 LYS HG2 H 1 1.534 0.002 . 2 . . . . 64 LYS HG2 . 16842 1 459 . 1 1 64 64 LYS HG3 H 1 1.585 0.002 . 2 . . . . 64 LYS HG3 . 16842 1 460 . 1 1 64 64 LYS N N 15 124.087 0.000 . 1 . . . . 64 LYS N . 16842 1 461 . 1 1 65 65 CYS H H 1 8.755 0.002 . 1 . . . . 65 CYS H . 16842 1 462 . 1 1 65 65 CYS HA H 1 4.829 0.008 . 1 . . . . 65 CYS HA . 16842 1 463 . 1 1 65 65 CYS HB2 H 1 2.741 0.004 . 2 . . . . 65 CYS HB2 . 16842 1 464 . 1 1 65 65 CYS HB3 H 1 2.844 0.004 . 2 . . . . 65 CYS HB3 . 16842 1 465 . 1 1 65 65 CYS N N 15 117.936 0.000 . 1 . . . . 65 CYS N . 16842 1 466 . 1 1 66 66 GLY H H 1 8.855 0.002 . 1 . . . . 66 GLY H . 16842 1 467 . 1 1 66 66 GLY HA2 H 1 3.527 0.003 . 2 . . . . 66 GLY HA2 . 16842 1 468 . 1 1 66 66 GLY HA3 H 1 3.952 0.002 . 2 . . . . 66 GLY HA3 . 16842 1 469 . 1 1 66 66 GLY N N 15 101.786 0.000 . 1 . . . . 66 GLY N . 16842 1 470 . 1 1 67 67 GLU H H 1 7.719 0.002 . 1 . . . . 67 GLU H . 16842 1 471 . 1 1 67 67 GLU HA H 1 4.181 0.003 . 1 . . . . 67 GLU HA . 16842 1 472 . 1 1 67 67 GLU HB2 H 1 2.409 0.004 . 2 . . . . 67 GLU HB2 . 16842 1 473 . 1 1 67 67 GLU HB3 H 1 2.319 0.004 . 2 . . . . 67 GLU HB3 . 16842 1 474 . 1 1 67 67 GLU HG2 H 1 2.140 0.006 . 2 . . . . 67 GLU HG2 . 16842 1 475 . 1 1 67 67 GLU HG3 H 1 2.228 0.003 . 2 . . . . 67 GLU HG3 . 16842 1 476 . 1 1 67 67 GLU N N 15 116.438 0.000 . 1 . . . . 67 GLU N . 16842 1 477 . 1 1 68 68 CYS H H 1 6.447 0.002 . 1 . . . . 68 CYS HN . 16842 1 478 . 1 1 68 68 CYS HA H 1 4.708 0.001 . 1 . . . . 68 CYS HA . 16842 1 479 . 1 1 68 68 CYS HB2 H 1 1.322 0.004 . 1 . . . . 68 CYS HB2 . 16842 1 480 . 1 1 68 68 CYS HB3 H 1 2.112 0.005 . 1 . . . . 68 CYS HB3 . 16842 1 481 . 1 1 68 68 CYS N N 15 114.494 0.005 . 1 . . . . 68 CYS N . 16842 1 482 . 1 1 69 69 HIS H H 1 6.893 0.002 . 1 . . . . 69 HIS H . 16842 1 483 . 1 1 69 69 HIS HA H 1 2.770 0.005 . 1 . . . . 69 HIS HA . 16842 1 484 . 1 1 69 69 HIS HB2 H 1 1.240 0.007 . 2 . . . . 69 HIS HB2 . 16842 1 485 . 1 1 69 69 HIS HB3 H 1 1.020 0.006 . 2 . . . . 69 HIS HB3 . 16842 1 486 . 1 1 69 69 HIS HD1 H 1 9.004 0.003 . 1 . . . . 69 HIS HD1 . 16842 1 487 . 1 1 69 69 HIS HD2 H 1 0.746 0.002 . 1 . . . . 69 HIS HD2 . 16842 1 488 . 1 1 69 69 HIS HE1 H 1 0.912 0.000 . 1 . . . . 69 HIS HE1 . 16842 1 489 . 1 1 69 69 HIS N N 15 118.048 0.000 . 1 . . . . 69 HIS N . 16842 1 490 . 1 1 69 69 HIS ND1 N 15 166.312 0.000 . 1 . . . . 69 HIS ND1 . 16842 1 491 . 1 1 70 70 LYS H H 1 7.032 0.003 . 1 . . . . 70 LYS H . 16842 1 492 . 1 1 70 70 LYS HA H 1 4.233 0.002 . 1 . . . . 70 LYS HA . 16842 1 493 . 1 1 70 70 LYS HB2 H 1 1.638 0.002 . 2 . . . . 70 LYS HB2 . 16842 1 494 . 1 1 70 70 LYS HD2 H 1 1.593 0.000 . 2 . . . . 70 LYS HD2 . 16842 1 495 . 1 1 70 70 LYS HE2 H 1 2.953 0.003 . 2 . . . . 70 LYS HE2 . 16842 1 496 . 1 1 70 70 LYS HG2 H 1 1.146 0.004 . 2 . . . . 70 LYS HG2 . 16842 1 497 . 1 1 70 70 LYS HG3 H 1 1.204 0.004 . 2 . . . . 70 LYS HG3 . 16842 1 498 . 1 1 70 70 LYS N N 15 123.359 0.000 . 1 . . . . 70 LYS N . 16842 1 499 . 1 1 71 71 LYS H H 1 7.871 0.001 . 1 . . . . 71 LYS H . 16842 1 500 . 1 1 71 71 LYS HA H 1 3.927 0.003 . 1 . . . . 71 LYS HA . 16842 1 501 . 1 1 71 71 LYS HB2 H 1 1.519 0.002 . 2 . . . . 71 LYS HB2 . 16842 1 502 . 1 1 71 71 LYS HB3 H 1 1.637 0.003 . 2 . . . . 71 LYS HB3 . 16842 1 503 . 1 1 71 71 LYS HD2 H 1 1.490 0.000 . 2 . . . . 71 LYS HD2 . 16842 1 504 . 1 1 71 71 LYS HE2 H 1 2.817 0.002 . 2 . . . . 71 LYS HE2 . 16842 1 505 . 1 1 71 71 LYS HG2 H 1 1.222 0.004 . 2 . . . . 71 LYS HG2 . 16842 1 506 . 1 1 71 71 LYS N N 15 128.307 0.000 . 1 . . . . 71 LYS N . 16842 1 507 . 2 2 1 1 HEM HAD1 H 1 3.363 0.005 . 2 . . . . 130 HEM HAD . 16842 1 508 . 2 2 1 1 HEM HAD2 H 1 4.216 0.002 . 2 . . . . 130 HEM HADA . 16842 1 509 . 2 2 1 1 HEM HAA1 H 1 3.906 0.002 . 2 . . . . 130 HEM HAA . 16842 1 510 . 2 2 1 1 HEM HAA2 H 1 3.964 0.004 . 2 . . . . 130 HEM HAAA . 16842 1 511 . 2 2 1 1 HEM HHC H 1 9.601 0.003 . 1 . . . . 130 HEM HHC . 16842 1 512 . 2 2 1 1 HEM HBD1 H 1 2.507 0.003 . 2 . . . . 130 HEM HBD . 16842 1 513 . 2 2 1 1 HEM HBD2 H 1 3.068 0.003 . 2 . . . . 130 HEM HBDA . 16842 1 514 . 2 2 1 1 HEM HBA1 H 1 2.939 0.005 . 2 . . . . 130 HEM HBA . 16842 1 515 . 2 2 1 1 HEM HBA2 H 1 2.993 0.006 . 2 . . . . 130 HEM HBAA . 16842 1 516 . 2 2 1 1 HEM HHD H 1 9.076 0.002 . 1 . . . . 130 HEM HHD . 16842 1 517 . 2 2 1 1 HEM HHB H 1 9.454 0.001 . 1 . . . . 130 HEM HHB . 16842 1 518 . 2 2 1 1 HEM HHA H 1 9.218 0.002 . 1 . . . . 130 HEM HHA . 16842 1 519 . 2 2 1 1 HEM HAB H 1 6.259 0.005 . 1 . . . . 130 HEM HAB . 16842 1 520 . 2 2 1 1 HEM HAC H 1 6.242 0.002 . 1 . . . . 130 HEM HAC . 16842 1 521 . 2 2 1 1 HEM HMB1 H 1 3.523 0.002 . 1 . . . . 130 HEM QMB . 16842 1 522 . 2 2 1 1 HEM HMB2 H 1 3.523 0.002 . 1 . . . . 130 HEM QMB . 16842 1 523 . 2 2 1 1 HEM HMB3 H 1 3.523 0.002 . 1 . . . . 130 HEM QMB . 16842 1 524 . 2 2 1 1 HEM HMC1 H 1 3.525 0.002 . 1 . . . . 130 HEM QMC . 16842 1 525 . 2 2 1 1 HEM HMC2 H 1 3.525 0.002 . 1 . . . . 130 HEM QMC . 16842 1 526 . 2 2 1 1 HEM HMC3 H 1 3.525 0.002 . 1 . . . . 130 HEM QMC . 16842 1 527 . 2 2 1 1 HEM HMD1 H 1 2.507 0.001 . 1 . . . . 130 HEM QMD . 16842 1 528 . 2 2 1 1 HEM HMD2 H 1 2.507 0.001 . 1 . . . . 130 HEM QMD . 16842 1 529 . 2 2 1 1 HEM HMD3 H 1 2.507 0.001 . 1 . . . . 130 HEM QMD . 16842 1 530 . 2 2 1 1 HEM HMA1 H 1 3.305 0.004 . 1 . . . . 130 HEM QMA . 16842 1 531 . 2 2 1 1 HEM HMA2 H 1 3.305 0.004 . 1 . . . . 130 HEM QMA . 16842 1 532 . 2 2 1 1 HEM HMA3 H 1 3.305 0.004 . 1 . . . . 130 HEM QMA . 16842 1 533 . 2 2 1 1 HEM HBB1 H 1 2.088 0.003 . 1 . . . . 130 HEM QBB . 16842 1 534 . 2 2 1 1 HEM HBB2 H 1 2.088 0.003 . 1 . . . . 130 HEM QBB . 16842 1 535 . 2 2 1 1 HEM HBC1 H 1 1.750 0.003 . 1 . . . . 130 HEM QBC . 16842 1 536 . 2 2 1 1 HEM HBC2 H 1 1.750 0.003 . 1 . . . . 130 HEM QBC . 16842 1 537 . 3 2 1 1 HEM HAD1 H 1 3.787 0.004 . 2 . . . . 154 HEM HAD . 16842 1 538 . 3 2 1 1 HEM HAD2 H 1 4.132 0.004 . 2 . . . . 154 HEM HADA . 16842 1 539 . 3 2 1 1 HEM HAA1 H 1 4.120 0.000 . 2 . . . . 154 HEM HAA . 16842 1 540 . 3 2 1 1 HEM HAA2 H 1 4.188 0.002 . 2 . . . . 154 HEM HAAA . 16842 1 541 . 3 2 1 1 HEM HHC H 1 10.530 0.003 . 1 . . . . 154 HEM HHC . 16842 1 542 . 3 2 1 1 HEM HBD1 H 1 2.798 0.005 . 2 . . . . 154 HEM HBD . 16842 1 543 . 3 2 1 1 HEM HBD2 H 1 2.937 0.001 . 2 . . . . 154 HEM HBDA . 16842 1 544 . 3 2 1 1 HEM HBA1 H 1 3.218 0.003 . 2 . . . . 154 HEM HBA . 16842 1 545 . 3 2 1 1 HEM HHD H 1 9.808 0.003 . 1 . . . . 154 HEM HHD . 16842 1 546 . 3 2 1 1 HEM HHB H 1 10.102 0.001 . 1 . . . . 154 HEM HHB . 16842 1 547 . 3 2 1 1 HEM HHA H 1 9.416 0.003 . 1 . . . . 154 HEM HHA . 16842 1 548 . 3 2 1 1 HEM HAB H 1 6.870 0.004 . 1 . . . . 154 HEM HAB . 16842 1 549 . 3 2 1 1 HEM HAC H 1 6.550 0.003 . 1 . . . . 154 HEM HAC . 16842 1 550 . 3 2 1 1 HEM HMB1 H 1 4.308 0.003 . 1 . . . . 154 HEM QMB . 16842 1 551 . 3 2 1 1 HEM HMB2 H 1 4.308 0.003 . 1 . . . . 154 HEM QMB . 16842 1 552 . 3 2 1 1 HEM HMB3 H 1 4.308 0.003 . 1 . . . . 154 HEM QMB . 16842 1 553 . 3 2 1 1 HEM HMC1 H 1 4.097 0.003 . 1 . . . . 154 HEM QMC . 16842 1 554 . 3 2 1 1 HEM HMC2 H 1 4.097 0.003 . 1 . . . . 154 HEM QMC . 16842 1 555 . 3 2 1 1 HEM HMC3 H 1 4.097 0.003 . 1 . . . . 154 HEM QMC . 16842 1 556 . 3 2 1 1 HEM HMD1 H 1 3.461 0.003 . 1 . . . . 154 HEM QMD . 16842 1 557 . 3 2 1 1 HEM HMD2 H 1 3.461 0.003 . 1 . . . . 154 HEM QMD . 16842 1 558 . 3 2 1 1 HEM HMD3 H 1 3.461 0.003 . 1 . . . . 154 HEM QMD . 16842 1 559 . 3 2 1 1 HEM HMA1 H 1 3.812 0.002 . 1 . . . . 154 HEM QMA . 16842 1 560 . 3 2 1 1 HEM HMA2 H 1 3.812 0.002 . 1 . . . . 154 HEM QMA . 16842 1 561 . 3 2 1 1 HEM HMA3 H 1 3.812 0.002 . 1 . . . . 154 HEM QMA . 16842 1 562 . 3 2 1 1 HEM HBB1 H 1 1.697 0.003 . 1 . . . . 154 HEM QBB . 16842 1 563 . 3 2 1 1 HEM HBB2 H 1 1.697 0.003 . 1 . . . . 154 HEM QBB . 16842 1 564 . 3 2 1 1 HEM HBC1 H 1 2.935 0.003 . 1 . . . . 154 HEM QBC . 16842 1 565 . 3 2 1 1 HEM HBC2 H 1 2.935 0.003 . 1 . . . . 154 HEM QBC . 16842 1 566 . 4 2 1 1 HEM HAD1 H 1 3.847 0.004 . 2 . . . . 168 HEM HAD . 16842 1 567 . 4 2 1 1 HEM HAD2 H 1 4.121 0.002 . 2 . . . . 168 HEM HADA . 16842 1 568 . 4 2 1 1 HEM HAA1 H 1 4.428 0.005 . 2 . . . . 168 HEM HAA . 16842 1 569 . 4 2 1 1 HEM HAA2 H 1 3.950 0.003 . 2 . . . . 168 HEM HAAA . 16842 1 570 . 4 2 1 1 HEM HHC H 1 8.974 0.002 . 2 . . . . 168 HEM HHC . 16842 1 571 . 4 2 1 1 HEM HBD1 H 1 3.062 0.005 . 2 . . . . 168 HEM HBD . 16842 1 572 . 4 2 1 1 HEM HBD2 H 1 3.677 0.006 . 2 . . . . 168 HEM HBDA . 16842 1 573 . 4 2 1 1 HEM HBA1 H 1 3.097 0.005 . 2 . . . . 168 HEM HBA . 16842 1 574 . 4 2 1 1 HEM HBA2 H 1 3.474 0.002 . 2 . . . . 168 HEM HBAA . 16842 1 575 . 4 2 1 1 HEM HHD H 1 9.288 0.002 . 1 . . . . 168 HEM HHD . 16842 1 576 . 4 2 1 1 HEM HHB H 1 9.353 0.000 . 1 . . . . 168 HEM HHB . 16842 1 577 . 4 2 1 1 HEM HHA H 1 9.431 0.002 . 1 . . . . 168 HEM HHA . 16842 1 578 . 4 2 1 1 HEM HAB H 1 5.992 0.001 . 1 . . . . 168 HEM HAB . 16842 1 579 . 4 2 1 1 HEM HAC H 1 6.236 0.001 . 1 . . . . 168 HEM HAC . 16842 1 580 . 4 2 1 1 HEM HMB1 H 1 3.580 0.003 . 1 . . . . 168 HEM QMB . 16842 1 581 . 4 2 1 1 HEM HMB2 H 1 3.580 0.003 . 1 . . . . 168 HEM QMB . 16842 1 582 . 4 2 1 1 HEM HMB3 H 1 3.580 0.003 . 1 . . . . 168 HEM QMB . 16842 1 583 . 4 2 1 1 HEM HMC1 H 1 2.978 0.003 . 1 . . . . 168 HEM QMC . 16842 1 584 . 4 2 1 1 HEM HMC2 H 1 2.978 0.003 . 1 . . . . 168 HEM QMC . 16842 1 585 . 4 2 1 1 HEM HMC3 H 1 2.978 0.003 . 1 . . . . 168 HEM QMC . 16842 1 586 . 4 2 1 1 HEM HMD1 H 1 3.907 0.001 . 1 . . . . 168 HEM QMD . 16842 1 587 . 4 2 1 1 HEM HMD2 H 1 3.907 0.001 . 1 . . . . 168 HEM QMD . 16842 1 588 . 4 2 1 1 HEM HMD3 H 1 3.907 0.001 . 1 . . . . 168 HEM QMD . 16842 1 589 . 4 2 1 1 HEM HMA1 H 1 3.307 0.003 . 1 . . . . 168 HEM QMA . 16842 1 590 . 4 2 1 1 HEM HMA2 H 1 3.307 0.003 . 1 . . . . 168 HEM QMA . 16842 1 591 . 4 2 1 1 HEM HMA3 H 1 3.307 0.003 . 1 . . . . 168 HEM QMA . 16842 1 592 . 4 2 1 1 HEM HBB1 H 1 2.023 0.003 . 1 . . . . 168 HEM QBB . 16842 1 593 . 4 2 1 1 HEM HBB2 H 1 2.023 0.003 . 1 . . . . 168 HEM QBB . 16842 1 594 . 4 2 1 1 HEM HBC1 H 1 1.503 0.007 . 1 . . . . 168 HEM QBC . 16842 1 595 . 4 2 1 1 HEM HBC2 H 1 1.503 0.007 . 1 . . . . 168 HEM QBC . 16842 1 stop_ save_