################################### # 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 25874 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_L6F_15Nlabelled _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' . . . 25874 1 2 '2D 1H-1H TOCSY' . . . 25874 1 3 '2D 1H-1H COSY' . . . 25874 1 4 '2D 1H-1H NOESY' . . . 25874 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 3.675 0.002 . 1 . . . A 1 ALA HA . 25874 1 2 . 1 1 1 1 ALA HB1 H 1 1.171 0.000 . 1 . . . A 1 ALA HB1 . 25874 1 3 . 1 1 1 1 ALA HB2 H 1 1.171 0.000 . 1 . . . A 1 ALA HB2 . 25874 1 4 . 1 1 1 1 ALA HB3 H 1 1.171 0.000 . 1 . . . A 1 ALA HB3 . 25874 1 5 . 1 1 2 2 ASP HA H 1 4.768 0.001 . 1 . . . A 2 ASP HA . 25874 1 6 . 1 1 2 2 ASP HB2 H 1 2.152 0.002 . 2 . . . A 2 ASP HB2 . 25874 1 7 . 1 1 2 2 ASP HB3 H 1 3.668 0.003 . 2 . . . A 2 ASP HB3 . 25874 1 8 . 1 1 3 3 ASP H H 1 7.252 0.003 . 1 . . . A 3 ASP H . 25874 1 9 . 1 1 3 3 ASP HA H 1 4.570 0.003 . 1 . . . A 3 ASP HA . 25874 1 10 . 1 1 3 3 ASP HB3 H 1 1.989 0.000 . 2 . . . A 3 ASP HB3 . 25874 1 11 . 1 1 3 3 ASP N N 15 116.646 0.000 . 1 . . . A 3 ASP N . 25874 1 12 . 1 1 4 4 ILE H H 1 8.202 0.004 . 1 . . . A 4 ILE H . 25874 1 13 . 1 1 4 4 ILE HA H 1 3.774 0.003 . 1 . . . A 4 ILE HA . 25874 1 14 . 1 1 4 4 ILE HB H 1 1.208 0.003 . 1 . . . A 4 ILE HB . 25874 1 15 . 1 1 4 4 ILE HG12 H 1 0.458 0.003 . 1 . . . A 4 ILE HG12 . 25874 1 16 . 1 1 4 4 ILE HG21 H 1 0.333 0.002 . 1 . . . A 4 ILE QG2 . 25874 1 17 . 1 1 4 4 ILE HG22 H 1 0.333 0.002 . 1 . . . A 4 ILE QG2 . 25874 1 18 . 1 1 4 4 ILE HG23 H 1 0.333 0.002 . 1 . . . A 4 ILE HG23 . 25874 1 19 . 1 1 4 4 ILE HD11 H 1 -0.383 0.002 . 1 . . . A 4 ILE HD11 . 25874 1 20 . 1 1 4 4 ILE HD12 H 1 -0.383 0.002 . 1 . . . A 4 ILE QD1 . 25874 1 21 . 1 1 4 4 ILE HD13 H 1 -0.383 0.002 . 1 . . . A 4 ILE QD1 . 25874 1 22 . 1 1 4 4 ILE N N 15 122.597 0.000 . 1 . . . A 4 ILE N . 25874 1 23 . 1 1 5 5 VAL H H 1 8.390 0.002 . 1 . . . A 5 VAL H . 25874 1 24 . 1 1 5 5 VAL HB H 1 1.795 0.001 . 1 . . . A 5 VAL HB . 25874 1 25 . 1 1 5 5 VAL HG11 H 1 0.681 0.002 . 2 . . . A 5 VAL QG1 . 25874 1 26 . 1 1 5 5 VAL HG12 H 1 0.681 0.002 . 2 . . . A 5 VAL QG1 . 25874 1 27 . 1 1 5 5 VAL HG13 H 1 0.681 0.002 . 2 . . . A 5 VAL HG13 . 25874 1 28 . 1 1 5 5 VAL HG21 H 1 0.752 0.002 . 2 . . . A 5 VAL HG21 . 25874 1 29 . 1 1 5 5 VAL HG22 H 1 0.752 0.002 . 2 . . . A 5 VAL QG2 . 25874 1 30 . 1 1 5 5 VAL HG23 H 1 0.752 0.002 . 2 . . . A 5 VAL QG2 . 25874 1 31 . 1 1 5 5 VAL N N 15 127.035 0.000 . 1 . . . A 5 VAL N . 25874 1 32 . 1 1 6 6 PHE H H 1 9.545 0.002 . 1 . . . A 6 PHE H . 25874 1 33 . 1 1 6 6 PHE HA H 1 5.079 0.002 . 1 . . . A 6 PHE HA . 25874 1 34 . 1 1 6 6 PHE HB2 H 1 3.327 0.003 . 2 . . . A 6 PHE HB2 . 25874 1 35 . 1 1 6 6 PHE HB3 H 1 4.065 0.004 . 2 . . . A 6 PHE HB3 . 25874 1 36 . 1 1 6 6 PHE HD2 H 1 7.830 0.001 . 3 . . . A 6 PHE HD2 . 25874 1 37 . 1 1 6 6 PHE HE2 H 1 7.638 0.003 . 3 . . . A 6 PHE HE2 . 25874 1 38 . 1 1 6 6 PHE HZ H 1 7.463 0.001 . 1 . . . A 6 PHE HZ . 25874 1 39 . 1 1 6 6 PHE N N 15 129.504 0.000 . 1 . . . A 6 PHE N . 25874 1 40 . 1 1 7 7 LYS H H 1 8.850 0.003 . 1 . . . A 7 LYS H . 25874 1 41 . 1 1 7 7 LYS HA H 1 4.457 0.000 . 1 . . . A 7 LYS HA . 25874 1 42 . 1 1 7 7 LYS HB2 H 1 1.878 0.002 . 2 . . . A 7 LYS HB2 . 25874 1 43 . 1 1 7 7 LYS HB3 H 1 1.788 0.002 . 2 . . . A 7 LYS HB3 . 25874 1 44 . 1 1 7 7 LYS HG2 H 1 1.505 0.003 . 2 . . . A 7 LYS HG2 . 25874 1 45 . 1 1 7 7 LYS HG3 H 1 1.599 0.001 . 2 . . . A 7 LYS HG3 . 25874 1 46 . 1 1 7 7 LYS HD2 H 1 1.765 0.001 . 2 . . . A 7 LYS HD2 . 25874 1 47 . 1 1 7 7 LYS N N 15 125.467 0.000 . 1 . . . A 7 LYS N . 25874 1 48 . 1 1 8 8 ALA H H 1 8.255 0.005 . 1 . . . A 8 ALA H . 25874 1 49 . 1 1 8 8 ALA HA H 1 4.841 0.000 . 1 . . . A 8 ALA HA . 25874 1 50 . 1 1 8 8 ALA HB1 H 1 0.878 0.002 . 1 . . . A 8 ALA HB1 . 25874 1 51 . 1 1 8 8 ALA HB2 H 1 0.878 0.002 . 1 . . . A 8 ALA HB2 . 25874 1 52 . 1 1 8 8 ALA HB3 H 1 0.878 0.002 . 1 . . . A 8 ALA HB3 . 25874 1 53 . 1 1 8 8 ALA N N 15 124.878 0.000 . 1 . . . A 8 ALA N . 25874 1 54 . 1 1 9 9 LYS H H 1 10.288 0.001 . 1 . . . A 9 LYS H . 25874 1 55 . 1 1 9 9 LYS HA H 1 3.973 0.001 . 1 . . . A 9 LYS HA . 25874 1 56 . 1 1 9 9 LYS HB2 H 1 1.929 0.000 . 2 . . . A 9 LYS HB2 . 25874 1 57 . 1 1 9 9 LYS HB3 H 1 1.871 0.001 . 2 . . . A 9 LYS HB3 . 25874 1 58 . 1 1 9 9 LYS HG2 H 1 1.565 0.002 . 2 . . . A 9 LYS HG2 . 25874 1 59 . 1 1 9 9 LYS HD2 H 1 1.839 0.002 . 2 . . . A 9 LYS HD2 . 25874 1 60 . 1 1 9 9 LYS HE2 H 1 3.147 0.001 . 2 . . . A 9 LYS HE2 . 25874 1 61 . 1 1 9 9 LYS N N 15 125.448 0.000 . 1 . . . A 9 LYS N . 25874 1 62 . 1 1 10 10 ASN H H 1 8.773 0.003 . 1 . . . A 10 ASN H . 25874 1 63 . 1 1 10 10 ASN HA H 1 4.253 0.002 . 1 . . . A 10 ASN HA . 25874 1 64 . 1 1 10 10 ASN HB2 H 1 1.776 0.002 . 2 . . . A 10 ASN HB2 . 25874 1 65 . 1 1 10 10 ASN HB3 H 1 2.066 0.003 . 2 . . . A 10 ASN HB3 . 25874 1 66 . 1 1 10 10 ASN HD21 H 1 1.317 0.003 . 2 . . . A 10 ASN HD21 . 25874 1 67 . 1 1 10 10 ASN HD22 H 1 5.352 0.006 . 2 . . . A 10 ASN HD22 . 25874 1 68 . 1 1 10 10 ASN N N 15 113.783 0.000 . 1 . . . A 10 ASN N . 25874 1 69 . 1 1 10 10 ASN ND2 N 15 108.944 0.014 . 1 . . . A 10 ASN ND2 . 25874 1 70 . 1 1 11 11 GLY H H 1 6.968 0.003 . 1 . . . A 11 GLY H . 25874 1 71 . 1 1 11 11 GLY HA2 H 1 3.459 0.002 . 1 . . . A 11 GLY HA2 . 25874 1 72 . 1 1 11 11 GLY HA3 H 1 3.068 0.003 . 1 . . . A 11 GLY HA3 . 25874 1 73 . 1 1 11 11 GLY N N 15 110.396 0.000 . 1 . . . A 11 GLY N . 25874 1 74 . 1 1 12 12 ASP H H 1 7.962 0.003 . 1 . . . A 12 ASP H . 25874 1 75 . 1 1 12 12 ASP HA H 1 4.405 0.002 . 1 . . . A 12 ASP HA . 25874 1 76 . 1 1 12 12 ASP HB2 H 1 2.371 0.001 . 2 . . . A 12 ASP HB2 . 25874 1 77 . 1 1 12 12 ASP HB3 H 1 2.296 0.002 . 2 . . . A 12 ASP HB3 . 25874 1 78 . 1 1 12 12 ASP N N 15 129.103 0.000 . 1 . . . A 12 ASP N . 25874 1 79 . 1 1 13 13 VAL H H 1 8.620 0.002 . 1 . . . A 13 VAL H . 25874 1 80 . 1 1 13 13 VAL HA H 1 4.274 0.004 . 1 . . . A 13 VAL HA . 25874 1 81 . 1 1 13 13 VAL HB H 1 2.371 0.002 . 1 . . . A 13 VAL HB . 25874 1 82 . 1 1 13 13 VAL HG11 H 1 1.582 0.002 . 2 . . . A 13 VAL QG1 . 25874 1 83 . 1 1 13 13 VAL HG12 H 1 1.582 0.002 . 2 . . . A 13 VAL QG1 . 25874 1 84 . 1 1 13 13 VAL HG13 H 1 1.582 0.002 . 2 . . . A 13 VAL HG13 . 25874 1 85 . 1 1 13 13 VAL HG21 H 1 -1.057 0.001 . 2 . . . A 13 VAL HG21 . 25874 1 86 . 1 1 13 13 VAL HG22 H 1 -1.057 0.001 . 2 . . . A 13 VAL QG2 . 25874 1 87 . 1 1 13 13 VAL HG23 H 1 -1.057 0.001 . 2 . . . A 13 VAL QG2 . 25874 1 88 . 1 1 13 13 VAL N N 15 121.052 0.000 . 1 . . . A 13 VAL N . 25874 1 89 . 1 1 14 14 LYS H H 1 9.012 0.003 . 1 . . . A 14 LYS H . 25874 1 90 . 1 1 14 14 LYS HA H 1 4.608 0.001 . 1 . . . A 14 LYS HA . 25874 1 91 . 1 1 14 14 LYS HB2 H 1 1.927 0.001 . 2 . . . A 14 LYS HB2 . 25874 1 92 . 1 1 14 14 LYS HB3 H 1 1.765 0.001 . 2 . . . A 14 LYS HB3 . 25874 1 93 . 1 1 14 14 LYS HG2 H 1 1.224 0.002 . 2 . . . A 14 LYS HG2 . 25874 1 94 . 1 1 14 14 LYS HG3 H 1 1.093 0.002 . 2 . . . A 14 LYS HG3 . 25874 1 95 . 1 1 14 14 LYS HD2 H 1 1.583 0.000 . 2 . . . A 14 LYS HD2 . 25874 1 96 . 1 1 14 14 LYS HE2 H 1 2.811 0.001 . 2 . . . A 14 LYS HE2 . 25874 1 97 . 1 1 14 14 LYS N N 15 129.063 0.000 . 1 . . . A 14 LYS N . 25874 1 98 . 1 1 15 15 PHE H H 1 9.449 0.002 . 1 . . . A 15 PHE H . 25874 1 99 . 1 1 15 15 PHE HA H 1 5.681 0.007 . 1 . . . A 15 PHE HA . 25874 1 100 . 1 1 15 15 PHE HB2 H 1 3.292 0.002 . 2 . . . A 15 PHE HB2 . 25874 1 101 . 1 1 15 15 PHE HB3 H 1 3.657 0.003 . 2 . . . A 15 PHE HB3 . 25874 1 102 . 1 1 15 15 PHE HD1 H 1 5.609 0.004 . 3 . . . A 15 PHE HD1 . 25874 1 103 . 1 1 15 15 PHE HD2 H 1 6.407 0.005 . 3 . . . A 15 PHE HD2 . 25874 1 104 . 1 1 15 15 PHE HE1 H 1 0.722 0.002 . 3 . . . A 15 PHE HE1 . 25874 1 105 . 1 1 15 15 PHE HE2 H 1 6.290 0.000 . 3 . . . A 15 PHE HE2 . 25874 1 106 . 1 1 15 15 PHE HZ H 1 5.975 0.003 . 1 . . . A 15 PHE HZ . 25874 1 107 . 1 1 15 15 PHE N N 15 127.819 0.000 . 1 . . . A 15 PHE N . 25874 1 108 . 1 1 16 16 PRO HA H 1 4.570 0.005 . 1 . . . A 16 PRO HA . 25874 1 109 . 1 1 16 16 PRO HB2 H 1 1.597 0.001 . 2 . . . A 16 PRO HB2 . 25874 1 110 . 1 1 16 16 PRO HG2 H 1 0.676 0.005 . 2 . . . A 16 PRO HG2 . 25874 1 111 . 1 1 16 16 PRO HG3 H 1 1.827 0.002 . 2 . . . A 16 PRO HG3 . 25874 1 112 . 1 1 16 16 PRO HD2 H 1 2.788 0.002 . 2 . . . A 16 PRO HD2 . 25874 1 113 . 1 1 16 16 PRO HD3 H 1 4.292 0.003 . 2 . . . A 16 PRO HD3 . 25874 1 114 . 1 1 17 17 HIS H H 1 6.540 0.002 . 1 . . . A 17 HIS H . 25874 1 115 . 1 1 17 17 HIS HA H 1 0.817 0.002 . 1 . . . A 17 HIS HA . 25874 1 116 . 1 1 17 17 HIS HB2 H 1 0.489 0.002 . 2 . . . A 17 HIS HB2 . 25874 1 117 . 1 1 17 17 HIS HB3 H 1 1.098 0.002 . 2 . . . A 17 HIS HB3 . 25874 1 118 . 1 1 17 17 HIS HD1 H 1 8.603 0.005 . 1 . . . A 17 HIS HD1 . 25874 1 119 . 1 1 17 17 HIS HD2 H 1 -0.380 0.001 . 1 . . . A 17 HIS HD2 . 25874 1 120 . 1 1 17 17 HIS HE1 H 1 1.162 0.002 . 1 . . . A 17 HIS HE1 . 25874 1 121 . 1 1 17 17 HIS N N 15 132.614 0.000 . 1 . . . A 17 HIS N . 25874 1 122 . 1 1 17 17 HIS ND1 N 15 166.387 0.000 . 1 . . . A 17 HIS ND1 . 25874 1 123 . 1 1 18 18 LYS H H 1 7.325 0.002 . 1 . . . A 18 LYS H . 25874 1 124 . 1 1 18 18 LYS HA H 1 2.576 0.002 . 1 . . . A 18 LYS HA . 25874 1 125 . 1 1 18 18 LYS HB2 H 1 0.918 0.002 . 2 . . . A 18 LYS HB2 . 25874 1 126 . 1 1 18 18 LYS HB3 H 1 1.145 0.004 . 2 . . . A 18 LYS HB3 . 25874 1 127 . 1 1 18 18 LYS HG2 H 1 0.658 0.002 . 2 . . . A 18 LYS HG2 . 25874 1 128 . 1 1 18 18 LYS HG3 H 1 0.713 0.002 . 2 . . . A 18 LYS HG3 . 25874 1 129 . 1 1 18 18 LYS HD2 H 1 0.986 0.001 . 2 . . . A 18 LYS HD2 . 25874 1 130 . 1 1 18 18 LYS HE2 H 1 2.454 0.001 . 2 . . . A 18 LYS HE2 . 25874 1 131 . 1 1 18 18 LYS N N 15 118.133 0.000 . 1 . . . A 18 LYS N . 25874 1 132 . 1 1 19 19 ALA H H 1 7.014 0.002 . 1 . . . A 19 ALA H . 25874 1 133 . 1 1 19 19 ALA HA H 1 3.396 0.001 . 1 . . . A 19 ALA HA . 25874 1 134 . 1 1 19 19 ALA HB1 H 1 0.693 0.002 . 1 . . . A 19 ALA HB1 . 25874 1 135 . 1 1 19 19 ALA HB2 H 1 0.693 0.002 . 1 . . . A 19 ALA HB2 . 25874 1 136 . 1 1 19 19 ALA HB3 H 1 0.693 0.002 . 1 . . . A 19 ALA HB3 . 25874 1 137 . 1 1 19 19 ALA N N 15 120.621 0.000 . 1 . . . A 19 ALA N . 25874 1 138 . 1 1 20 20 HIS H H 1 6.376 0.002 . 1 . . . A 20 HIS H . 25874 1 139 . 1 1 20 20 HIS HA H 1 2.492 0.004 . 1 . . . A 20 HIS HA . 25874 1 140 . 1 1 20 20 HIS HB2 H 1 1.062 0.002 . 2 . . . A 20 HIS HB2 . 25874 1 141 . 1 1 20 20 HIS HB3 H 1 1.481 0.003 . 2 . . . A 20 HIS HB3 . 25874 1 142 . 1 1 20 20 HIS HD1 H 1 7.892 0.005 . 1 . . . A 20 HIS HD1 . 25874 1 143 . 1 1 20 20 HIS HD2 H 1 1.110 0.002 . 1 . . . A 20 HIS HD2 . 25874 1 144 . 1 1 20 20 HIS HE1 H 1 1.194 0.002 . 1 . . . A 20 HIS HE1 . 25874 1 145 . 1 1 20 20 HIS N N 15 116.674 0.000 . 1 . . . A 20 HIS N . 25874 1 146 . 1 1 20 20 HIS ND1 N 15 163.454 0.000 . 1 . . . A 20 HIS ND1 . 25874 1 147 . 1 1 21 21 GLN H H 1 6.796 0.002 . 1 . . . A 21 GLN H . 25874 1 148 . 1 1 21 21 GLN HA H 1 4.064 0.005 . 1 . . . A 21 GLN HA . 25874 1 149 . 1 1 21 21 GLN HB2 H 1 1.463 0.002 . 2 . . . A 21 GLN HB2 . 25874 1 150 . 1 1 21 21 GLN HB3 H 1 1.554 0.003 . 2 . . . A 21 GLN HB3 . 25874 1 151 . 1 1 21 21 GLN HG2 H 1 0.359 0.001 . 2 . . . A 21 GLN HG2 . 25874 1 152 . 1 1 21 21 GLN HG3 H 1 1.429 0.001 . 2 . . . A 21 GLN HG3 . 25874 1 153 . 1 1 21 21 GLN HE21 H 1 1.089 0.007 . 2 . . . A 21 GLN HE21 . 25874 1 154 . 1 1 21 21 GLN HE22 H 1 4.496 0.000 . 2 . . . A 21 GLN HE22 . 25874 1 155 . 1 1 21 21 GLN N N 15 117.448 0.000 . 1 . . . A 21 GLN N . 25874 1 156 . 1 1 21 21 GLN NE2 N 15 105.362 0.000 . 1 . . . A 21 GLN NE2 . 25874 1 157 . 1 1 22 22 LYS H H 1 6.578 0.003 . 1 . . . A 22 LYS H . 25874 1 158 . 1 1 22 22 LYS HA H 1 4.016 0.005 . 1 . . . A 22 LYS HA . 25874 1 159 . 1 1 22 22 LYS HB2 H 1 1.526 0.002 . 2 . . . A 22 LYS HB2 . 25874 1 160 . 1 1 22 22 LYS HB3 H 1 1.602 0.002 . 2 . . . A 22 LYS HB3 . 25874 1 161 . 1 1 22 22 LYS HG2 H 1 1.221 0.003 . 2 . . . A 22 LYS HG2 . 25874 1 162 . 1 1 22 22 LYS HG3 H 1 1.257 0.002 . 2 . . . A 22 LYS HG3 . 25874 1 163 . 1 1 22 22 LYS HD2 H 1 1.445 0.002 . 2 . . . A 22 LYS HD2 . 25874 1 164 . 1 1 22 22 LYS N N 15 115.279 0.000 . 1 . . . A 22 LYS N . 25874 1 165 . 1 1 23 23 ALA H H 1 6.963 0.002 . 1 . . . A 23 ALA H . 25874 1 166 . 1 1 23 23 ALA HA H 1 4.194 0.001 . 1 . . . A 23 ALA HA . 25874 1 167 . 1 1 23 23 ALA HB1 H 1 1.219 0.003 . 1 . . . A 23 ALA HB1 . 25874 1 168 . 1 1 23 23 ALA HB2 H 1 1.219 0.003 . 1 . . . A 23 ALA HB2 . 25874 1 169 . 1 1 23 23 ALA HB3 H 1 1.219 0.003 . 1 . . . A 23 ALA HB3 . 25874 1 170 . 1 1 23 23 ALA N N 15 120.362 0.000 . 1 . . . A 23 ALA N . 25874 1 171 . 1 1 24 24 VAL H H 1 8.369 0.003 . 1 . . . A 24 VAL H . 25874 1 172 . 1 1 24 24 VAL HA H 1 4.597 0.003 . 1 . . . A 24 VAL HA . 25874 1 173 . 1 1 24 24 VAL HB H 1 2.722 0.003 . 1 . . . A 24 VAL HB . 25874 1 174 . 1 1 24 24 VAL HG11 H 1 1.522 0.002 . 2 . . . A 24 VAL QG1 . 25874 1 175 . 1 1 24 24 VAL HG12 H 1 1.522 0.002 . 2 . . . A 24 VAL QG1 . 25874 1 176 . 1 1 24 24 VAL HG13 H 1 1.522 0.002 . 2 . . . A 24 VAL HG13 . 25874 1 177 . 1 1 24 24 VAL HG21 H 1 1.320 0.002 . 2 . . . A 24 VAL HG21 . 25874 1 178 . 1 1 24 24 VAL HG22 H 1 1.320 0.002 . 2 . . . A 24 VAL QG2 . 25874 1 179 . 1 1 24 24 VAL HG23 H 1 1.320 0.002 . 2 . . . A 24 VAL QG2 . 25874 1 180 . 1 1 24 24 VAL N N 15 120.608 0.000 . 1 . . . A 24 VAL N . 25874 1 181 . 1 1 25 25 PRO HA H 1 4.774 0.001 . 1 . . . A 25 PRO HA . 25874 1 182 . 1 1 25 25 PRO HB2 H 1 2.182 0.003 . 2 . . . A 25 PRO HB2 . 25874 1 183 . 1 1 25 25 PRO HB3 H 1 2.348 0.001 . 2 . . . A 25 PRO HB3 . 25874 1 184 . 1 1 25 25 PRO HG2 H 1 2.068 0.003 . 2 . . . A 25 PRO HG2 . 25874 1 185 . 1 1 25 25 PRO HD2 H 1 3.638 0.005 . 2 . . . A 25 PRO HD2 . 25874 1 186 . 1 1 25 25 PRO HD3 H 1 3.870 0.002 . 2 . . . A 25 PRO HD3 . 25874 1 187 . 1 1 26 26 ASP H H 1 7.828 0.002 . 1 . . . A 26 ASP H . 25874 1 188 . 1 1 26 26 ASP HA H 1 5.078 0.002 . 1 . . . A 26 ASP HA . 25874 1 189 . 1 1 26 26 ASP HB2 H 1 2.992 0.001 . 2 . . . A 26 ASP HB2 . 25874 1 190 . 1 1 26 26 ASP HB3 H 1 2.737 0.003 . 2 . . . A 26 ASP HB3 . 25874 1 191 . 1 1 26 26 ASP N N 15 117.853 0.000 . 1 . . . A 26 ASP N . 25874 1 192 . 1 1 27 27 CYS H H 1 8.544 0.002 . 1 . . . A 27 CYS H . 25874 1 193 . 1 1 27 27 CYS HA H 1 4.964 0.001 . 1 . . . A 27 CYS HA . 25874 1 194 . 1 1 27 27 CYS HB2 H 1 2.534 0.002 . 2 . . . A 27 CYS HB2 . 25874 1 195 . 1 1 27 27 CYS HB3 H 1 2.432 0.002 . 2 . . . A 27 CYS HB3 . 25874 1 196 . 1 1 27 27 CYS N N 15 123.776 0.000 . 1 . . . A 27 CYS N . 25874 1 197 . 1 1 28 28 LYS H H 1 8.062 0.002 . 1 . . . A 28 LYS H . 25874 1 198 . 1 1 28 28 LYS HA H 1 3.497 0.002 . 1 . . . A 28 LYS HA . 25874 1 199 . 1 1 28 28 LYS HB2 H 1 1.232 0.004 . 2 . . . A 28 LYS HB2 . 25874 1 200 . 1 1 28 28 LYS HB3 H 1 1.704 0.003 . 2 . . . A 28 LYS HB3 . 25874 1 201 . 1 1 28 28 LYS HG2 H 1 1.608 0.003 . 2 . . . A 28 LYS HG2 . 25874 1 202 . 1 1 28 28 LYS HG3 H 1 1.305 0.004 . 2 . . . A 28 LYS HG3 . 25874 1 203 . 1 1 28 28 LYS HD2 H 1 1.560 0.000 . 2 . . . A 28 LYS HD2 . 25874 1 204 . 1 1 28 28 LYS HE2 H 1 2.873 0.003 . 2 . . . A 28 LYS HE2 . 25874 1 205 . 1 1 28 28 LYS N N 15 114.260 0.000 . 1 . . . A 28 LYS N . 25874 1 206 . 1 1 29 29 LYS H H 1 7.751 0.002 . 1 . . . A 29 LYS H . 25874 1 207 . 1 1 29 29 LYS HA H 1 4.033 0.003 . 1 . . . A 29 LYS HA . 25874 1 208 . 1 1 29 29 LYS HB2 H 1 2.128 0.003 . 2 . . . A 29 LYS HB2 . 25874 1 209 . 1 1 29 29 LYS HB3 H 1 1.869 0.001 . 2 . . . A 29 LYS HB3 . 25874 1 210 . 1 1 29 29 LYS HG2 H 1 1.771 0.001 . 2 . . . A 29 LYS HG2 . 25874 1 211 . 1 1 29 29 LYS HG3 H 1 2.063 0.338 . 2 . . . A 29 LYS HG3 . 25874 1 212 . 1 1 29 29 LYS HD2 H 1 1.936 0.004 . 2 . . . A 29 LYS HD2 . 25874 1 213 . 1 1 29 29 LYS HD3 H 1 2.030 0.003 . 2 . . . A 29 LYS HD3 . 25874 1 214 . 1 1 29 29 LYS HE2 H 1 3.336 0.002 . 2 . . . A 29 LYS HE2 . 25874 1 215 . 1 1 29 29 LYS N N 15 118.718 0.000 . 1 . . . A 29 LYS N . 25874 1 216 . 1 1 30 30 CYS H H 1 6.273 0.003 . 1 . . . A 30 CYS H . 25874 1 217 . 1 1 30 30 CYS HA H 1 4.640 0.007 . 1 . . . A 30 CYS HA . 25874 1 218 . 1 1 30 30 CYS HB2 H 1 1.051 0.004 . 2 . . . A 30 CYS HB2 . 25874 1 219 . 1 1 30 30 CYS HB3 H 1 2.322 0.003 . 2 . . . A 30 CYS HB3 . 25874 1 220 . 1 1 30 30 CYS N N 15 111.794 0.000 . 1 . . . A 30 CYS N . 25874 1 221 . 1 1 31 31 HIS H H 1 7.120 0.002 . 1 . . . A 31 HIS H . 25874 1 222 . 1 1 31 31 HIS HA H 1 3.065 0.004 . 1 . . . A 31 HIS HA . 25874 1 223 . 1 1 31 31 HIS HB2 H 1 0.867 0.004 . 2 . . . A 31 HIS HB2 . 25874 1 224 . 1 1 31 31 HIS HB3 H 1 0.850 0.002 . 2 . . . A 31 HIS HB3 . 25874 1 225 . 1 1 31 31 HIS HD1 H 1 8.501 0.001 . 1 . . . A 31 HIS HD1 . 25874 1 226 . 1 1 31 31 HIS HD2 H 1 0.540 0.002 . 1 . . . A 31 HIS HD2 . 25874 1 227 . 1 1 31 31 HIS HE1 H 1 1.399 0.000 . 1 . . . A 31 HIS HE1 . 25874 1 228 . 1 1 31 31 HIS N N 15 118.519 0.000 . 1 . . . A 31 HIS N . 25874 1 229 . 1 1 31 31 HIS ND1 N 15 163.510 0.000 . 1 . . . A 31 HIS ND1 . 25874 1 230 . 1 1 32 32 GLU H H 1 7.986 0.003 . 1 . . . A 32 GLU H . 25874 1 231 . 1 1 32 32 GLU HA H 1 3.696 0.004 . 1 . . . A 32 GLU HA . 25874 1 232 . 1 1 32 32 GLU HB2 H 1 1.710 0.003 . 2 . . . A 32 GLU HB2 . 25874 1 233 . 1 1 32 32 GLU HB3 H 1 1.824 0.001 . 2 . . . A 32 GLU HB3 . 25874 1 234 . 1 1 32 32 GLU HG2 H 1 2.036 0.001 . 2 . . . A 32 GLU HG2 . 25874 1 235 . 1 1 32 32 GLU N N 15 125.364 0.000 . 1 . . . A 32 GLU N . 25874 1 236 . 1 1 33 33 LYS H H 1 8.183 0.002 . 1 . . . A 33 LYS H . 25874 1 237 . 1 1 33 33 LYS HA H 1 4.213 0.004 . 1 . . . A 33 LYS HA . 25874 1 238 . 1 1 33 33 LYS HB2 H 1 1.861 0.002 . 2 . . . A 33 LYS HB2 . 25874 1 239 . 1 1 33 33 LYS HB3 H 1 1.402 0.003 . 2 . . . A 33 LYS HB3 . 25874 1 240 . 1 1 33 33 LYS HG2 H 1 1.146 0.002 . 2 . . . A 33 LYS HG2 . 25874 1 241 . 1 1 33 33 LYS HG3 H 1 1.276 0.001 . 2 . . . A 33 LYS HG3 . 25874 1 242 . 1 1 33 33 LYS HD2 H 1 1.490 0.002 . 2 . . . A 33 LYS HD2 . 25874 1 243 . 1 1 33 33 LYS HE2 H 1 2.841 0.004 . 2 . . . A 33 LYS HE2 . 25874 1 244 . 1 1 33 33 LYS N N 15 115.015 0.000 . 1 . . . A 33 LYS N . 25874 1 245 . 1 1 34 34 GLY H H 1 6.624 0.002 . 1 . . . A 34 GLY H . 25874 1 246 . 1 1 34 34 GLY HA2 H 1 3.999 0.006 . 2 . . . A 34 GLY HA2 . 25874 1 247 . 1 1 34 34 GLY HA3 H 1 3.300 0.004 . 2 . . . A 34 GLY HA3 . 25874 1 248 . 1 1 34 34 GLY N N 15 107.428 0.000 . 1 . . . A 34 GLY N . 25874 1 249 . 1 1 35 35 PRO HA H 1 0.636 0.002 . 1 . . . A 35 PRO HA . 25874 1 250 . 1 1 35 35 PRO HB2 H 1 1.619 0.001 . 2 . . . A 35 PRO HB2 . 25874 1 251 . 1 1 35 35 PRO HB3 H 1 1.691 0.002 . 2 . . . A 35 PRO HB3 . 25874 1 252 . 1 1 35 35 PRO HG2 H 1 1.088 0.002 . 2 . . . A 35 PRO HG2 . 25874 1 253 . 1 1 35 35 PRO HG3 H 1 2.033 0.005 . 2 . . . A 35 PRO HG3 . 25874 1 254 . 1 1 35 35 PRO HD2 H 1 3.075 0.002 . 2 . . . A 35 PRO HD2 . 25874 1 255 . 1 1 35 35 PRO HD3 H 1 3.190 0.006 . 2 . . . A 35 PRO HD3 . 25874 1 256 . 1 1 36 36 GLY H H 1 3.873 0.004 . 1 . . . A 36 GLY H . 25874 1 257 . 1 1 36 36 GLY HA2 H 1 4.005 0.002 . 1 . . . A 36 GLY HA2 . 25874 1 258 . 1 1 36 36 GLY HA3 H 1 3.358 0.002 . 1 . . . A 36 GLY HA3 . 25874 1 259 . 1 1 36 36 GLY N N 15 109.389 0.000 . 1 . . . A 36 GLY N . 25874 1 260 . 1 1 37 37 LYS H H 1 7.981 0.008 . 1 . . . A 37 LYS H . 25874 1 261 . 1 1 37 37 LYS HA H 1 4.159 0.003 . 1 . . . A 37 LYS HA . 25874 1 262 . 1 1 37 37 LYS HB2 H 1 1.697 0.005 . 2 . . . A 37 LYS HB2 . 25874 1 263 . 1 1 37 37 LYS HG2 H 1 1.809 0.002 . 2 . . . A 37 LYS HG2 . 25874 1 264 . 1 1 37 37 LYS HG3 H 1 1.643 0.001 . 2 . . . A 37 LYS HG3 . 25874 1 265 . 1 1 37 37 LYS HD2 H 1 1.930 0.002 . 2 . . . A 37 LYS HD2 . 25874 1 266 . 1 1 37 37 LYS N N 15 116.850 0.000 . 1 . . . A 37 LYS N . 25874 1 267 . 1 1 38 38 ILE H H 1 10.493 0.002 . 1 . . . A 38 ILE H . 25874 1 268 . 1 1 38 38 ILE HA H 1 3.724 0.005 . 1 . . . A 38 ILE HA . 25874 1 269 . 1 1 38 38 ILE HB H 1 1.615 0.005 . 1 . . . A 38 ILE HB . 25874 1 270 . 1 1 38 38 ILE HG12 H 1 -0.154 0.003 . 2 . . . A 38 ILE HG12 . 25874 1 271 . 1 1 38 38 ILE HG13 H 1 0.707 0.003 . 2 . . . A 38 ILE HG13 . 25874 1 272 . 1 1 38 38 ILE HG21 H 1 0.797 0.002 . 1 . . . A 38 ILE QG2 . 25874 1 273 . 1 1 38 38 ILE HG22 H 1 0.797 0.002 . 1 . . . A 38 ILE QG2 . 25874 1 274 . 1 1 38 38 ILE HG23 H 1 0.797 0.002 . 1 . . . A 38 ILE HG23 . 25874 1 275 . 1 1 38 38 ILE HD11 H 1 -0.413 0.002 . 1 . . . A 38 ILE HD11 . 25874 1 276 . 1 1 38 38 ILE HD12 H 1 -0.413 0.002 . 1 . . . A 38 ILE QD1 . 25874 1 277 . 1 1 38 38 ILE HD13 H 1 -0.413 0.002 . 1 . . . A 38 ILE QD1 . 25874 1 278 . 1 1 38 38 ILE N N 15 128.778 0.000 . 1 . . . A 38 ILE N . 25874 1 279 . 1 1 39 39 GLU H H 1 8.595 0.006 . 1 . . . A 39 GLU H . 25874 1 280 . 1 1 39 39 GLU HA H 1 4.018 0.002 . 1 . . . A 39 GLU HA . 25874 1 281 . 1 1 39 39 GLU HB2 H 1 1.866 0.003 . 2 . . . A 39 GLU HB2 . 25874 1 282 . 1 1 39 39 GLU HG2 H 1 2.186 0.001 . 2 . . . A 39 GLU HG2 . 25874 1 283 . 1 1 39 39 GLU N N 15 130.536 0.000 . 1 . . . A 39 GLU N . 25874 1 284 . 1 1 40 40 GLY H H 1 9.115 0.002 . 1 . . . A 40 GLY H . 25874 1 285 . 1 1 40 40 GLY HA2 H 1 4.105 0.007 . 2 . . . A 40 GLY HA2 . 25874 1 286 . 1 1 40 40 GLY HA3 H 1 3.757 0.004 . 2 . . . A 40 GLY HA3 . 25874 1 287 . 1 1 40 40 GLY N N 15 113.068 0.000 . 1 . . . A 40 GLY N . 25874 1 288 . 1 1 41 41 PHE H H 1 8.010 0.002 . 1 . . . A 41 PHE H . 25874 1 289 . 1 1 41 41 PHE HA H 1 4.300 0.004 . 1 . . . A 41 PHE HA . 25874 1 290 . 1 1 41 41 PHE HB2 H 1 3.298 0.002 . 2 . . . A 41 PHE HB2 . 25874 1 291 . 1 1 41 41 PHE HB3 H 1 3.249 0.002 . 2 . . . A 41 PHE HB3 . 25874 1 292 . 1 1 41 41 PHE HD1 H 1 7.454 0.002 . 3 . . . A 41 PHE HD1 . 25874 1 293 . 1 1 41 41 PHE HE1 H 1 7.242 0.001 . 3 . . . A 41 PHE HE1 . 25874 1 294 . 1 1 41 41 PHE HZ H 1 7.622 0.002 . 1 . . . A 41 PHE HZ . 25874 1 295 . 1 1 41 41 PHE N N 15 121.942 0.000 . 1 . . . A 41 PHE N . 25874 1 296 . 1 1 42 42 GLY H H 1 5.768 0.003 . 1 . . . A 42 GLY H . 25874 1 297 . 1 1 42 42 GLY HA3 H 1 4.148 0.004 . 2 . . . A 42 GLY HA3 . 25874 1 298 . 1 1 42 42 GLY N N 15 114.942 0.000 . 1 . . . A 42 GLY N . 25874 1 299 . 1 1 43 43 LYS H H 1 8.884 0.003 . 1 . . . A 43 LYS H . 25874 1 300 . 1 1 43 43 LYS HA H 1 2.302 0.003 . 1 . . . A 43 LYS HA . 25874 1 301 . 1 1 43 43 LYS HB2 H 1 1.326 0.006 . 2 . . . A 43 LYS HB2 . 25874 1 302 . 1 1 43 43 LYS HB3 H 1 1.345 0.003 . 2 . . . A 43 LYS HB3 . 25874 1 303 . 1 1 43 43 LYS HG2 H 1 -1.071 0.004 . 2 . . . A 43 LYS HG2 . 25874 1 304 . 1 1 43 43 LYS HG3 H 1 1.509 0.004 . 2 . . . A 43 LYS HG3 . 25874 1 305 . 1 1 43 43 LYS HD2 H 1 1.275 0.003 . 2 . . . A 43 LYS HD2 . 25874 1 306 . 1 1 43 43 LYS HD3 H 1 -0.508 0.002 . 2 . . . A 43 LYS HD3 . 25874 1 307 . 1 1 43 43 LYS HE2 H 1 2.211 0.001 . 2 . . . A 43 LYS HE2 . 25874 1 308 . 1 1 43 43 LYS HE3 H 1 2.322 0.008 . 2 . . . A 43 LYS HE3 . 25874 1 309 . 1 1 43 43 LYS N N 15 122.844 0.000 . 1 . . . A 43 LYS N . 25874 1 310 . 1 1 44 44 GLU H H 1 7.923 0.002 . 1 . . . A 44 GLU H . 25874 1 311 . 1 1 44 44 GLU HA H 1 3.044 0.003 . 1 . . . A 44 GLU HA . 25874 1 312 . 1 1 44 44 GLU HB2 H 1 1.596 0.003 . 2 . . . A 44 GLU HB2 . 25874 1 313 . 1 1 44 44 GLU HG2 H 1 1.790 0.001 . 2 . . . A 44 GLU HG2 . 25874 1 314 . 1 1 44 44 GLU HG3 H 1 1.937 0.001 . 2 . . . A 44 GLU HG3 . 25874 1 315 . 1 1 44 44 GLU N N 15 115.043 0.000 . 1 . . . A 44 GLU N . 25874 1 316 . 1 1 45 45 MET H H 1 7.559 0.003 . 1 . . . A 45 MET H . 25874 1 317 . 1 1 45 45 MET HA H 1 3.848 0.002 . 1 . . . A 45 MET HA . 25874 1 318 . 1 1 45 45 MET HB2 H 1 1.519 0.003 . 2 . . . A 45 MET HB2 . 25874 1 319 . 1 1 45 45 MET HB3 H 1 1.716 0.003 . 2 . . . A 45 MET HB3 . 25874 1 320 . 1 1 45 45 MET HG2 H 1 2.296 0.003 . 2 . . . A 45 MET HG2 . 25874 1 321 . 1 1 45 45 MET HG3 H 1 2.533 0.001 . 2 . . . A 45 MET HG3 . 25874 1 322 . 1 1 45 45 MET HE1 H 1 2.061 0.002 . 1 . . . A 45 MET HE1 . 25874 1 323 . 1 1 45 45 MET HE2 H 1 2.061 0.002 . 1 . . . A 45 MET HE2 . 25874 1 324 . 1 1 45 45 MET HE3 H 1 2.061 0.002 . 1 . . . A 45 MET HE3 . 25874 1 325 . 1 1 45 45 MET N N 15 118.080 0.000 . 1 . . . A 45 MET N . 25874 1 326 . 1 1 46 46 ALA H H 1 7.907 0.003 . 1 . . . A 46 ALA H . 25874 1 327 . 1 1 46 46 ALA HA H 1 3.960 0.003 . 1 . . . A 46 ALA HA . 25874 1 328 . 1 1 46 46 ALA HB1 H 1 0.590 0.002 . 1 . . . A 46 ALA HB1 . 25874 1 329 . 1 1 46 46 ALA HB2 H 1 0.590 0.002 . 1 . . . A 46 ALA HB2 . 25874 1 330 . 1 1 46 46 ALA HB3 H 1 0.590 0.002 . 1 . . . A 46 ALA HB3 . 25874 1 331 . 1 1 46 46 ALA N N 15 122.871 0.000 . 1 . . . A 46 ALA N . 25874 1 332 . 1 1 47 47 HIS H H 1 6.721 0.002 . 1 . . . A 47 HIS H . 25874 1 333 . 1 1 47 47 HIS HA H 1 2.717 0.002 . 1 . . . A 47 HIS HA . 25874 1 334 . 1 1 47 47 HIS HB2 H 1 1.345 0.001 . 2 . . . A 47 HIS HB2 . 25874 1 335 . 1 1 47 47 HIS HB3 H 1 1.524 0.002 . 2 . . . A 47 HIS HB3 . 25874 1 336 . 1 1 47 47 HIS HD1 H 1 9.609 0.003 . 1 . . . A 47 HIS HD1 . 25874 1 337 . 1 1 47 47 HIS HD2 H 1 0.614 0.002 . 1 . . . A 47 HIS HD2 . 25874 1 338 . 1 1 47 47 HIS HE1 H 1 1.075 0.001 . 1 . . . A 47 HIS HE1 . 25874 1 339 . 1 1 47 47 HIS N N 15 113.174 0.000 . 1 . . . A 47 HIS N . 25874 1 340 . 1 1 47 47 HIS ND1 N 15 164.909 0.000 . 1 . . . A 47 HIS ND1 . 25874 1 341 . 1 1 48 48 GLY H H 1 6.697 0.005 . 1 . . . A 48 GLY H . 25874 1 342 . 1 1 48 48 GLY HA2 H 1 3.989 0.001 . 2 . . . A 48 GLY HA2 . 25874 1 343 . 1 1 48 48 GLY HA3 H 1 3.299 0.003 . 2 . . . A 48 GLY HA3 . 25874 1 344 . 1 1 48 48 GLY N N 15 109.910 0.000 . 1 . . . A 48 GLY N . 25874 1 345 . 1 1 49 49 LYS H H 1 8.725 0.002 . 1 . . . A 49 LYS H . 25874 1 346 . 1 1 49 49 LYS HA H 1 3.718 0.002 . 1 . . . A 49 LYS HA . 25874 1 347 . 1 1 49 49 LYS HB2 H 1 1.856 0.003 . 2 . . . A 49 LYS HB2 . 25874 1 348 . 1 1 49 49 LYS HG2 H 1 1.427 0.002 . 2 . . . A 49 LYS HG2 . 25874 1 349 . 1 1 49 49 LYS HD2 H 1 1.646 0.003 . 2 . . . A 49 LYS HD2 . 25874 1 350 . 1 1 49 49 LYS HE2 H 1 2.966 0.001 . 2 . . . A 49 LYS HE2 . 25874 1 351 . 1 1 49 49 LYS N N 15 125.155 0.000 . 1 . . . A 49 LYS N . 25874 1 352 . 1 1 50 50 GLY H H 1 8.455 0.003 . 1 . . . A 50 GLY H . 25874 1 353 . 1 1 50 50 GLY HA2 H 1 4.356 0.003 . 2 . . . A 50 GLY HA2 . 25874 1 354 . 1 1 50 50 GLY HA3 H 1 3.653 0.002 . 2 . . . A 50 GLY HA3 . 25874 1 355 . 1 1 50 50 GLY N N 15 105.682 0.000 . 1 . . . A 50 GLY N . 25874 1 356 . 1 1 51 51 CYS H H 1 6.640 0.003 . 1 . . . A 51 CYS H . 25874 1 357 . 1 1 51 51 CYS HA H 1 5.593 0.004 . 1 . . . A 51 CYS HA . 25874 1 358 . 1 1 51 51 CYS HB2 H 1 3.576 0.002 . 2 . . . A 51 CYS HB2 . 25874 1 359 . 1 1 51 51 CYS HB3 H 1 2.544 0.001 . 2 . . . A 51 CYS HB3 . 25874 1 360 . 1 1 51 51 CYS N N 15 110.903 0.000 . 1 . . . A 51 CYS N . 25874 1 361 . 1 1 52 52 LYS H H 1 7.906 0.002 . 1 . . . A 52 LYS H . 25874 1 362 . 1 1 52 52 LYS HA H 1 2.508 0.002 . 1 . . . A 52 LYS HA . 25874 1 363 . 1 1 52 52 LYS HB2 H 1 1.270 0.001 . 2 . . . A 52 LYS HB2 . 25874 1 364 . 1 1 52 52 LYS HB3 H 1 1.037 0.003 . 2 . . . A 52 LYS HB3 . 25874 1 365 . 1 1 52 52 LYS HG3 H 1 1.112 0.003 . 2 . . . A 52 LYS HG3 . 25874 1 366 . 1 1 52 52 LYS N N 15 120.482 0.000 . 1 . . . A 52 LYS N . 25874 1 367 . 1 1 53 53 GLY H H 1 8.549 0.002 . 1 . . . A 53 GLY H . 25874 1 368 . 1 1 53 53 GLY HA2 H 1 3.317 0.003 . 2 . . . A 53 GLY HA2 . 25874 1 369 . 1 1 53 53 GLY HA3 H 1 3.567 0.002 . 2 . . . A 53 GLY HA3 . 25874 1 370 . 1 1 53 53 GLY N N 15 102.630 0.000 . 1 . . . A 53 GLY N . 25874 1 371 . 1 1 54 54 CYS H H 1 6.584 0.003 . 1 . . . A 54 CYS H . 25874 1 372 . 1 1 54 54 CYS HA H 1 4.399 0.006 . 1 . . . A 54 CYS HA . 25874 1 373 . 1 1 54 54 CYS HB2 H 1 2.453 0.003 . 2 . . . A 54 CYS HB2 . 25874 1 374 . 1 1 54 54 CYS HB3 H 1 3.692 0.002 . 2 . . . A 54 CYS HB3 . 25874 1 375 . 1 1 54 54 CYS N N 15 120.890 0.000 . 1 . . . A 54 CYS N . 25874 1 376 . 1 1 55 55 HIS H H 1 5.404 0.004 . 1 . . . A 55 HIS H . 25874 1 377 . 1 1 55 55 HIS HA H 1 3.710 0.004 . 1 . . . A 55 HIS HA . 25874 1 378 . 1 1 55 55 HIS HB2 H 1 1.398 0.006 . 2 . . . A 55 HIS HB2 . 25874 1 379 . 1 1 55 55 HIS HB3 H 1 1.621 0.004 . 2 . . . A 55 HIS HB3 . 25874 1 380 . 1 1 55 55 HIS HD1 H 1 9.609 0.001 . 1 . . . A 55 HIS HD1 . 25874 1 381 . 1 1 55 55 HIS HD2 H 1 1.063 0.001 . 1 . . . A 55 HIS HD2 . 25874 1 382 . 1 1 55 55 HIS HE1 H 1 1.565 0.001 . 1 . . . A 55 HIS HE1 . 25874 1 383 . 1 1 55 55 HIS N N 15 117.794 0.000 . 1 . . . A 55 HIS N . 25874 1 384 . 1 1 55 55 HIS ND1 N 15 164.930 0.000 . 1 . . . A 55 HIS ND1 . 25874 1 385 . 1 1 56 56 GLU H H 1 7.969 0.003 . 1 . . . A 56 GLU H . 25874 1 386 . 1 1 56 56 GLU HA H 1 3.629 0.003 . 1 . . . A 56 GLU HA . 25874 1 387 . 1 1 56 56 GLU HB2 H 1 1.846 0.001 . 2 . . . A 56 GLU HB2 . 25874 1 388 . 1 1 56 56 GLU HB3 H 1 1.767 0.002 . 2 . . . A 56 GLU HB3 . 25874 1 389 . 1 1 56 56 GLU HG2 H 1 2.106 0.001 . 2 . . . A 56 GLU HG2 . 25874 1 390 . 1 1 56 56 GLU HG3 H 1 1.935 0.001 . 2 . . . A 56 GLU HG3 . 25874 1 391 . 1 1 56 56 GLU N N 15 116.823 0.000 . 1 . . . A 56 GLU N . 25874 1 392 . 1 1 57 57 GLU H H 1 7.485 0.003 . 1 . . . A 57 GLU H . 25874 1 393 . 1 1 57 57 GLU HA H 1 4.021 0.004 . 1 . . . A 57 GLU HA . 25874 1 394 . 1 1 57 57 GLU HB2 H 1 2.186 0.001 . 2 . . . A 57 GLU HB2 . 25874 1 395 . 1 1 57 57 GLU HG2 H 1 2.295 0.003 . 2 . . . A 57 GLU HG2 . 25874 1 396 . 1 1 57 57 GLU HG3 H 1 2.368 0.002 . 2 . . . A 57 GLU HG3 . 25874 1 397 . 1 1 57 57 GLU N N 15 120.523 0.000 . 1 . . . A 57 GLU N . 25874 1 398 . 1 1 58 58 MET H H 1 8.866 0.002 . 1 . . . A 58 MET H . 25874 1 399 . 1 1 58 58 MET HA H 1 4.352 0.001 . 1 . . . A 58 MET HA . 25874 1 400 . 1 1 58 58 MET HB2 H 1 2.210 0.004 . 2 . . . A 58 MET HB2 . 25874 1 401 . 1 1 58 58 MET HB3 H 1 2.398 0.003 . 2 . . . A 58 MET HB3 . 25874 1 402 . 1 1 58 58 MET HG2 H 1 2.945 0.002 . 2 . . . A 58 MET HG2 . 25874 1 403 . 1 1 58 58 MET HG3 H 1 3.401 0.007 . 2 . . . A 58 MET HG3 . 25874 1 404 . 1 1 58 58 MET HE1 H 1 2.654 0.003 . 1 . . . A 58 MET HE1 . 25874 1 405 . 1 1 58 58 MET HE2 H 1 2.654 0.003 . 1 . . . A 58 MET HE2 . 25874 1 406 . 1 1 58 58 MET HE3 H 1 2.654 0.003 . 1 . . . A 58 MET HE3 . 25874 1 407 . 1 1 58 58 MET N N 15 115.336 0.000 . 1 . . . A 58 MET N . 25874 1 408 . 1 1 59 59 LYS H H 1 7.691 0.002 . 1 . . . A 59 LYS H . 25874 1 409 . 1 1 59 59 LYS HA H 1 3.713 0.002 . 1 . . . A 59 LYS HA . 25874 1 410 . 1 1 59 59 LYS HB2 H 1 2.162 0.001 . 2 . . . A 59 LYS HB2 . 25874 1 411 . 1 1 59 59 LYS HB3 H 1 1.357 0.002 . 2 . . . A 59 LYS HB3 . 25874 1 412 . 1 1 59 59 LYS HG2 H 1 1.311 0.003 . 2 . . . A 59 LYS HG2 . 25874 1 413 . 1 1 59 59 LYS HD3 H 1 1.928 0.001 . 2 . . . A 59 LYS HD3 . 25874 1 414 . 1 1 59 59 LYS N N 15 114.369 0.000 . 1 . . . A 59 LYS N . 25874 1 415 . 1 1 60 60 LYS H H 1 7.566 0.002 . 1 . . . A 60 LYS H . 25874 1 416 . 1 1 60 60 LYS HA H 1 4.279 0.000 . 1 . . . A 60 LYS HA . 25874 1 417 . 1 1 60 60 LYS HB2 H 1 2.075 0.002 . 2 . . . A 60 LYS HB2 . 25874 1 418 . 1 1 60 60 LYS HB3 H 1 1.640 0.002 . 2 . . . A 60 LYS HB3 . 25874 1 419 . 1 1 60 60 LYS HG2 H 1 1.616 0.001 . 2 . . . A 60 LYS HG2 . 25874 1 420 . 1 1 60 60 LYS HG3 H 1 2.040 0.001 . 2 . . . A 60 LYS HG3 . 25874 1 421 . 1 1 60 60 LYS HD2 H 1 1.890 0.001 . 2 . . . A 60 LYS HD2 . 25874 1 422 . 1 1 60 60 LYS HD3 H 1 1.800 0.000 . 2 . . . A 60 LYS HD3 . 25874 1 423 . 1 1 60 60 LYS HE2 H 1 3.313 0.001 . 2 . . . A 60 LYS HE2 . 25874 1 424 . 1 1 60 60 LYS N N 15 118.488 0.000 . 1 . . . A 60 LYS N . 25874 1 425 . 1 1 61 61 GLY H H 1 7.514 0.003 . 1 . . . A 61 GLY H . 25874 1 426 . 1 1 61 61 GLY HA2 H 1 1.063 0.002 . 2 . . . A 61 GLY HA2 . 25874 1 427 . 1 1 61 61 GLY HA3 H 1 2.503 0.001 . 2 . . . A 61 GLY HA3 . 25874 1 428 . 1 1 61 61 GLY N N 15 103.494 0.000 . 1 . . . A 61 GLY N . 25874 1 429 . 1 1 62 62 PRO HA H 1 3.927 0.001 . 1 . . . A 62 PRO HA . 25874 1 430 . 1 1 62 62 PRO HB2 H 1 1.955 0.004 . 2 . . . A 62 PRO HB2 . 25874 1 431 . 1 1 62 62 PRO HB3 H 1 1.988 0.001 . 2 . . . A 62 PRO HB3 . 25874 1 432 . 1 1 62 62 PRO HG2 H 1 1.014 0.002 . 2 . . . A 62 PRO HG2 . 25874 1 433 . 1 1 62 62 PRO HG3 H 1 1.908 0.003 . 2 . . . A 62 PRO HG3 . 25874 1 434 . 1 1 62 62 PRO HD2 H 1 -0.744 0.002 . 2 . . . A 62 PRO HD2 . 25874 1 435 . 1 1 62 62 PRO HD3 H 1 2.417 0.003 . 2 . . . A 62 PRO HD3 . 25874 1 436 . 1 1 63 63 THR H H 1 8.271 0.003 . 1 . . . A 63 THR H . 25874 1 437 . 1 1 63 63 THR HA H 1 4.403 0.003 . 1 . . . A 63 THR HA . 25874 1 438 . 1 1 63 63 THR HB H 1 4.217 0.005 . 1 . . . A 63 THR HB . 25874 1 439 . 1 1 63 63 THR HG21 H 1 0.668 0.001 . 1 . . . A 63 THR HG21 . 25874 1 440 . 1 1 63 63 THR HG22 H 1 0.668 0.001 . 1 . . . A 63 THR QG2 . 25874 1 441 . 1 1 63 63 THR HG23 H 1 0.668 0.001 . 1 . . . A 63 THR QG2 . 25874 1 442 . 1 1 63 63 THR N N 15 109.032 0.000 . 1 . . . A 63 THR N . 25874 1 443 . 1 1 64 64 LYS H H 1 8.437 0.002 . 1 . . . A 64 LYS H . 25874 1 444 . 1 1 64 64 LYS HA H 1 5.116 0.002 . 1 . . . A 64 LYS HA . 25874 1 445 . 1 1 64 64 LYS HB2 H 1 1.659 0.003 . 2 . . . A 64 LYS HB2 . 25874 1 446 . 1 1 64 64 LYS HB3 H 1 2.115 0.002 . 2 . . . A 64 LYS HB3 . 25874 1 447 . 1 1 64 64 LYS HG2 H 1 1.504 0.003 . 2 . . . A 64 LYS HG2 . 25874 1 448 . 1 1 64 64 LYS HG3 H 1 1.561 0.001 . 2 . . . A 64 LYS HG3 . 25874 1 449 . 1 1 64 64 LYS HD2 H 1 1.710 0.000 . 2 . . . A 64 LYS HD2 . 25874 1 450 . 1 1 64 64 LYS N N 15 124.136 0.000 . 1 . . . A 64 LYS N . 25874 1 451 . 1 1 65 65 CYS H H 1 8.731 0.002 . 1 . . . A 65 CYS H . 25874 1 452 . 1 1 65 65 CYS HA H 1 4.769 0.000 . 1 . . . A 65 CYS HA . 25874 1 453 . 1 1 65 65 CYS HB2 H 1 2.698 0.002 . 2 . . . A 65 CYS HB2 . 25874 1 454 . 1 1 65 65 CYS HB3 H 1 2.803 0.005 . 2 . . . A 65 CYS HB3 . 25874 1 455 . 1 1 65 65 CYS N N 15 118.006 0.000 . 1 . . . A 65 CYS N . 25874 1 456 . 1 1 66 66 GLY H H 1 8.809 0.002 . 1 . . . A 66 GLY H . 25874 1 457 . 1 1 66 66 GLY HA2 H 1 3.973 0.001 . 2 . . . A 66 GLY HA2 . 25874 1 458 . 1 1 66 66 GLY HA3 H 1 3.492 0.004 . 2 . . . A 66 GLY HA3 . 25874 1 459 . 1 1 66 66 GLY N N 15 101.862 0.000 . 1 . . . A 66 GLY N . 25874 1 460 . 1 1 67 67 GLU H H 1 7.694 0.003 . 1 . . . A 67 GLU H . 25874 1 461 . 1 1 67 67 GLU HA H 1 4.161 0.001 . 1 . . . A 67 GLU HA . 25874 1 462 . 1 1 67 67 GLU HB2 H 1 2.283 0.003 . 2 . . . A 67 GLU HB2 . 25874 1 463 . 1 1 67 67 GLU HB3 H 1 2.379 0.001 . 2 . . . A 67 GLU HB3 . 25874 1 464 . 1 1 67 67 GLU HG2 H 1 2.108 0.002 . 2 . . . A 67 GLU HG2 . 25874 1 465 . 1 1 67 67 GLU HG3 H 1 2.205 0.001 . 2 . . . A 67 GLU HG3 . 25874 1 466 . 1 1 67 67 GLU N N 15 116.476 0.000 . 1 . . . A 67 GLU N . 25874 1 467 . 1 1 68 68 CYS H H 1 6.422 0.002 . 1 . . . A 68 CYS H . 25874 1 468 . 1 1 68 68 CYS HA H 1 4.703 0.000 . 1 . . . A 68 CYS HA . 25874 1 469 . 1 1 68 68 CYS HB2 H 1 1.334 0.002 . 2 . . . A 68 CYS HB2 . 25874 1 470 . 1 1 68 68 CYS HB3 H 1 2.075 0.002 . 2 . . . A 68 CYS HB3 . 25874 1 471 . 1 1 68 68 CYS N N 15 114.694 0.000 . 1 . . . A 68 CYS N . 25874 1 472 . 1 1 69 69 HIS H H 1 6.901 0.003 . 1 . . . A 69 HIS H . 25874 1 473 . 1 1 69 69 HIS HA H 1 2.740 0.001 . 1 . . . A 69 HIS HA . 25874 1 474 . 1 1 69 69 HIS HB2 H 1 0.966 0.002 . 2 . . . A 69 HIS HB2 . 25874 1 475 . 1 1 69 69 HIS HB3 H 1 1.224 0.002 . 2 . . . A 69 HIS HB3 . 25874 1 476 . 1 1 69 69 HIS HD1 H 1 8.916 0.002 . 1 . . . A 69 HIS HD1 . 25874 1 477 . 1 1 69 69 HIS HD2 H 1 0.726 0.001 . 1 . . . A 69 HIS HD2 . 25874 1 478 . 1 1 69 69 HIS HE1 H 1 0.871 0.002 . 1 . . . A 69 HIS HE1 . 25874 1 479 . 1 1 69 69 HIS N N 15 117.752 0.000 . 1 . . . A 69 HIS N . 25874 1 480 . 1 1 69 69 HIS ND1 N 15 166.513 0.000 . 1 . . . A 69 HIS ND1 . 25874 1 481 . 1 1 70 70 LYS H H 1 7.214 0.003 . 1 . . . A 70 LYS H . 25874 1 482 . 1 1 70 70 LYS HA H 1 4.240 0.002 . 1 . . . A 70 LYS HA . 25874 1 483 . 1 1 70 70 LYS HB2 H 1 1.618 0.004 . 2 . . . A 70 LYS HB2 . 25874 1 484 . 1 1 70 70 LYS HG2 H 1 1.105 0.001 . 2 . . . A 70 LYS HG2 . 25874 1 485 . 1 1 70 70 LYS HG3 H 1 1.145 0.001 . 2 . . . A 70 LYS HG3 . 25874 1 486 . 1 1 70 70 LYS HD2 H 1 1.562 0.000 . 2 . . . A 70 LYS HD2 . 25874 1 487 . 1 1 70 70 LYS HE2 H 1 2.938 0.000 . 2 . . . A 70 LYS HE2 . 25874 1 488 . 1 1 70 70 LYS N N 15 123.740 0.000 . 1 . . . A 70 LYS N . 25874 1 489 . 1 1 71 71 LYS H H 1 7.858 0.009 . 1 . . . A 71 LYS H . 25874 1 490 . 1 1 71 71 LYS HA H 1 3.908 0.002 . 1 . . . A 71 LYS HA . 25874 1 491 . 1 1 71 71 LYS HB2 H 1 1.489 0.001 . 2 . . . A 71 LYS HB2 . 25874 1 492 . 1 1 71 71 LYS HB3 H 1 1.609 0.002 . 2 . . . A 71 LYS HB3 . 25874 1 493 . 1 1 71 71 LYS HG2 H 1 1.188 0.002 . 2 . . . A 71 LYS HG2 . 25874 1 494 . 1 1 71 71 LYS HD2 H 1 1.450 0.001 . 2 . . . A 71 LYS HD2 . 25874 1 495 . 1 1 71 71 LYS N N 15 128.613 0.020 . 1 . . . A 71 LYS N . 25874 1 496 . 2 2 1 1 HEM HAD H 1 3.654 0.002 . 2 . . . . 130 HEM HA62 . 25874 1 497 . 2 2 1 1 HEM HADA H 1 4.307 0.005 . 2 . . . . 130 HEM HA63 . 25874 1 498 . 2 2 1 1 HEM HAA H 1 3.895 0.002 . 2 . . . . 130 HEM HA72 . 25874 1 499 . 2 2 1 1 HEM HAAA H 1 3.935 0.003 . 2 . . . . 130 HEM HA73 . 25874 1 500 . 2 2 1 1 HEM HHC H 1 9.603 0.002 . 1 . . . . 130 HEM HAM . 25874 1 501 . 2 2 1 1 HEM HBD H 1 2.577 0.003 . 2 . . . . 130 HEM HB62 . 25874 1 502 . 2 2 1 1 HEM HBDA H 1 3.199 0.006 . 2 . . . . 130 HEM HB63 . 25874 1 503 . 2 2 1 1 HEM HBA H 1 2.960 0.002 . 2 . . . . 130 HEM HB72 . 25874 1 504 . 2 2 1 1 HEM HBAA H 1 2.924 0.003 . 2 . . . . 130 HEM HB73 . 25874 1 505 . 2 2 1 1 HEM HHD H 1 9.176 0.001 . 1 . . . . 130 HEM HBM . 25874 1 506 . 2 2 1 1 HEM HHB H 1 9.427 0.000 . 1 . . . . 130 HEM HDM . 25874 1 507 . 2 2 1 1 HEM HHA H 1 9.229 0.001 . 1 . . . . 130 HEM HGM . 25874 1 508 . 2 2 1 1 HEM HAB H 1 6.272 0.003 . 1 . . . . 130 HEM HT2A . 25874 1 509 . 2 2 1 1 HEM HAC H 1 6.271 0.028 . 1 . . . . 130 HEM HT4A . 25874 1 510 . 2 2 1 1 HEM HMB H 1 3.493 0.001 . 1 . . . . 130 HEM QM1 . 25874 1 511 . 2 2 1 1 HEM HMBA H 1 3.493 0.001 . 1 . . . . 130 HEM QM1 . 25874 1 512 . 2 2 1 1 HEM HMBB H 1 3.493 0.001 . 1 . . . . 130 HEM QM1 . 25874 1 513 . 2 2 1 1 HEM HMC H 1 3.518 0.002 . 1 . . . . 130 HEM QM3 . 25874 1 514 . 2 2 1 1 HEM HMCA H 1 3.518 0.002 . 1 . . . . 130 HEM QM3 . 25874 1 515 . 2 2 1 1 HEM HMCB H 1 3.518 0.002 . 1 . . . . 130 HEM QM3 . 25874 1 516 . 2 2 1 1 HEM HMD H 1 2.735 0.001 . 1 . . . . 130 HEM QM5 . 25874 1 517 . 2 2 1 1 HEM HMDA H 1 2.735 0.001 . 1 . . . . 130 HEM QM5 . 25874 1 518 . 2 2 1 1 HEM HMDB H 1 2.735 0.001 . 1 . . . . 130 HEM QM5 . 25874 1 519 . 2 2 1 1 HEM HMA H 1 3.284 0.002 . 1 . . . . 130 HEM QM8 . 25874 1 520 . 2 2 1 1 HEM HMAA H 1 3.284 0.002 . 1 . . . . 130 HEM QM8 . 25874 1 521 . 2 2 1 1 HEM HMAB H 1 3.284 0.002 . 1 . . . . 130 HEM QM8 . 25874 1 522 . 2 2 1 1 HEM HBB H 1 2.069 0.010 . 1 . . . . 130 HEM QT2 . 25874 1 523 . 2 2 1 1 HEM HBBA H 1 2.069 0.010 . 1 . . . . 130 HEM QT2 . 25874 1 524 . 2 2 1 1 HEM HBC H 1 1.709 0.002 . 1 . . . . 130 HEM QT4 . 25874 1 525 . 2 2 1 1 HEM HBCA H 1 1.709 0.002 . 1 . . . . 130 HEM QT4 . 25874 1 526 . 3 2 1 1 HEM HAD H 1 3.760 0.003 . 2 . . . . 154 HEM HA62 . 25874 1 527 . 3 2 1 1 HEM HADA H 1 4.130 0.007 . 2 . . . . 154 HEM HA63 . 25874 1 528 . 3 2 1 1 HEM HAA H 1 4.112 0.000 . 2 . . . . 154 HEM HA72 . 25874 1 529 . 3 2 1 1 HEM HAAA H 1 4.163 0.000 . 2 . . . . 154 HEM HA73 . 25874 1 530 . 3 2 1 1 HEM HHC H 1 10.484 0.002 . 1 . . . . 154 HEM HAM . 25874 1 531 . 3 2 1 1 HEM HBD H 1 2.742 0.002 . 2 . . . . 154 HEM HB62 . 25874 1 532 . 3 2 1 1 HEM HBDA H 1 2.913 0.002 . 2 . . . . 154 HEM HB63 . 25874 1 533 . 3 2 1 1 HEM HBA H 1 3.196 0.002 . 2 . . . . 154 HEM HB72 . 25874 1 534 . 3 2 1 1 HEM HHD H 1 9.796 0.001 . 1 . . . . 154 HEM HBM . 25874 1 535 . 3 2 1 1 HEM HHB H 1 10.159 0.002 . 1 . . . . 154 HEM HDM . 25874 1 536 . 3 2 1 1 HEM HHA H 1 9.393 0.002 . 1 . . . . 154 HEM HGM . 25874 1 537 . 3 2 1 1 HEM HAB H 1 6.750 0.002 . 1 . . . . 154 HEM HT2A . 25874 1 538 . 3 2 1 1 HEM HAC H 1 6.537 0.001 . 1 . . . . 154 HEM HT4A . 25874 1 539 . 3 2 1 1 HEM HMB H 1 4.326 0.003 . 1 . . . . 154 HEM QM1 . 25874 1 540 . 3 2 1 1 HEM HMBA H 1 4.326 0.003 . 1 . . . . 154 HEM QM1 . 25874 1 541 . 3 2 1 1 HEM HMBB H 1 4.326 0.003 . 1 . . . . 154 HEM QM1 . 25874 1 542 . 3 2 1 1 HEM HMC H 1 4.085 0.003 . 1 . . . . 154 HEM QM3 . 25874 1 543 . 3 2 1 1 HEM HMCA H 1 4.085 0.003 . 1 . . . . 154 HEM QM3 . 25874 1 544 . 3 2 1 1 HEM HMCB H 1 4.085 0.003 . 1 . . . . 154 HEM QM3 . 25874 1 545 . 3 2 1 1 HEM HMD H 1 3.448 0.002 . 1 . . . . 154 HEM QM5 . 25874 1 546 . 3 2 1 1 HEM HMDA H 1 3.448 0.002 . 1 . . . . 154 HEM QM5 . 25874 1 547 . 3 2 1 1 HEM HMDB H 1 3.448 0.002 . 1 . . . . 154 HEM QM5 . 25874 1 548 . 3 2 1 1 HEM HMA H 1 3.829 0.002 . 1 . . . . 154 HEM QM8 . 25874 1 549 . 3 2 1 1 HEM HMAA H 1 3.829 0.002 . 1 . . . . 154 HEM QM8 . 25874 1 550 . 3 2 1 1 HEM HMAB H 1 3.829 0.002 . 1 . . . . 154 HEM QM8 . 25874 1 551 . 3 2 1 1 HEM HBB H 1 1.609 0.002 . 1 . . . . 154 HEM QT2 . 25874 1 552 . 3 2 1 1 HEM HBBA H 1 1.609 0.002 . 1 . . . . 154 HEM QT2 . 25874 1 553 . 3 2 1 1 HEM HBC H 1 2.923 0.003 . 1 . . . . 154 HEM QT4 . 25874 1 554 . 3 2 1 1 HEM HBCA H 1 2.923 0.003 . 1 . . . . 154 HEM QT4 . 25874 1 555 . 4 2 1 1 HEM HAD H 1 3.807 0.002 . 2 . . . . 168 HEM HA62 . 25874 1 556 . 4 2 1 1 HEM HADA H 1 4.167 0.000 . 2 . . . . 168 HEM HA63 . 25874 1 557 . 4 2 1 1 HEM HAA H 1 4.448 0.001 . 2 . . . . 168 HEM HA72 . 25874 1 558 . 4 2 1 1 HEM HAAA H 1 3.942 0.002 . 2 . . . . 168 HEM HA73 . 25874 1 559 . 4 2 1 1 HEM HHC H 1 8.974 0.002 . 1 . . . . 168 HEM HAM . 25874 1 560 . 4 2 1 1 HEM HBD H 1 3.017 0.001 . 2 . . . . 168 HEM HB62 . 25874 1 561 . 4 2 1 1 HEM HBDA H 1 3.270 0.002 . 2 . . . . 168 HEM HB63 . 25874 1 562 . 4 2 1 1 HEM HBA H 1 3.063 0.002 . 2 . . . . 168 HEM HB72 . 25874 1 563 . 4 2 1 1 HEM HBAA H 1 3.472 0.003 . 2 . . . . 168 HEM HB73 . 25874 1 564 . 4 2 1 1 HEM HHD H 1 9.244 0.001 . 1 . . . . 168 HEM HBM . 25874 1 565 . 4 2 1 1 HEM HHB H 1 9.308 0.001 . 1 . . . . 168 HEM HDM . 25874 1 566 . 4 2 1 1 HEM HHA H 1 9.475 0.002 . 1 . . . . 168 HEM HGM . 25874 1 567 . 4 2 1 1 HEM HAB H 1 5.956 0.002 . 1 . . . . 168 HEM HT2A . 25874 1 568 . 4 2 1 1 HEM HAC H 1 6.225 0.002 . 1 . . . . 168 HEM HT4A . 25874 1 569 . 4 2 1 1 HEM HMB H 1 3.532 0.001 . 1 . . . . 168 HEM QM1 . 25874 1 570 . 4 2 1 1 HEM HMBA H 1 3.532 0.001 . 1 . . . . 168 HEM QM1 . 25874 1 571 . 4 2 1 1 HEM HMBB H 1 3.532 0.001 . 1 . . . . 168 HEM QM1 . 25874 1 572 . 4 2 1 1 HEM HMC H 1 2.976 0.001 . 1 . . . . 168 HEM QM3 . 25874 1 573 . 4 2 1 1 HEM HMCA H 1 2.976 0.001 . 1 . . . . 168 HEM QM3 . 25874 1 574 . 4 2 1 1 HEM HMCB H 1 2.976 0.001 . 1 . . . . 168 HEM QM3 . 25874 1 575 . 4 2 1 1 HEM HMD H 1 3.450 0.001 . 1 . . . . 168 HEM QM5 . 25874 1 576 . 4 2 1 1 HEM HMDA H 1 3.450 0.001 . 1 . . . . 168 HEM QM5 . 25874 1 577 . 4 2 1 1 HEM HMDB H 1 3.450 0.001 . 1 . . . . 168 HEM QM5 . 25874 1 578 . 4 2 1 1 HEM HMA H 1 3.325 0.063 . 1 . . . . 168 HEM QM8 . 25874 1 579 . 4 2 1 1 HEM HMAA H 1 3.325 0.063 . 1 . . . . 168 HEM QM8 . 25874 1 580 . 4 2 1 1 HEM HMAB H 1 3.325 0.063 . 1 . . . . 168 HEM QM8 . 25874 1 581 . 4 2 1 1 HEM HBB H 1 1.983 0.003 . 1 . . . . 168 HEM QT2 . 25874 1 582 . 4 2 1 1 HEM HBBA H 1 1.983 0.003 . 1 . . . . 168 HEM QT2 . 25874 1 583 . 4 2 1 1 HEM HBC H 1 1.501 0.001 . 1 . . . . 168 HEM QT4 . 25874 1 584 . 4 2 1 1 HEM HBCA H 1 1.501 0.001 . 1 . . . . 168 HEM QT4 . 25874 1 stop_ save_