################################### # 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 16443 _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 DQF-COSY' . . . 16443 1 2 '2D 1H-1H TOCSY' . . . 16443 1 3 '2D 1H-1H NOESY' . . . 16443 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 3.451 0.004 . 1 . . . . . 1 ALA HA . 16443 1 2 . 1 1 1 1 ALA HB1 H 1 0.494 0.008 . 1 . . . . . 1 ALA QB . 16443 1 3 . 1 1 1 1 ALA HB2 H 1 0.494 0.008 . 1 . . . . . 1 ALA QB . 16443 1 4 . 1 1 1 1 ALA HB3 H 1 0.494 0.008 . 1 . . . . . 1 ALA QB . 16443 1 5 . 1 1 2 2 PRO HA H 1 3.279 0.000 . 1 . . . . . 2 PRO HA . 16443 1 6 . 1 1 2 2 PRO HB2 H 1 -0.417 0.002 . 1 . . . . . 2 PRO HB2 . 16443 1 7 . 1 1 2 2 PRO HB3 H 1 0.780 0.008 . 1 . . . . . 2 PRO HB3 . 16443 1 8 . 1 1 2 2 PRO HD2 H 1 2.314 0.007 . 2 . . . . . 2 PRO HD2 . 16443 1 9 . 1 1 2 2 PRO HD3 H 1 0.972 0.009 . 2 . . . . . 2 PRO HD3 . 16443 1 10 . 1 1 2 2 PRO HG2 H 1 0.241 0.004 . 2 . . . . . 2 PRO HG2 . 16443 1 11 . 1 1 2 2 PRO HG3 H 1 -0.935 0.001 . 2 . . . . . 2 PRO HG3 . 16443 1 12 . 1 1 3 3 ALA H H 1 6.694 0.002 . 1 . . . . . 3 ALA HN . 16443 1 13 . 1 1 3 3 ALA HA H 1 2.674 0.007 . 1 . . . . . 3 ALA HA . 16443 1 14 . 1 1 3 3 ALA HB1 H 1 0.284 0.005 . 1 . . . . . 3 ALA QB . 16443 1 15 . 1 1 3 3 ALA HB2 H 1 0.284 0.005 . 1 . . . . . 3 ALA QB . 16443 1 16 . 1 1 3 3 ALA HB3 H 1 0.284 0.005 . 1 . . . . . 3 ALA QB . 16443 1 17 . 1 1 4 4 VAL H H 1 6.432 0.003 . 1 . . . . . 4 VAL HN . 16443 1 18 . 1 1 4 4 VAL HA H 1 -1.507 0.004 . 1 . . . . . 4 VAL HA . 16443 1 19 . 1 1 4 4 VAL HB H 1 0.478 0.004 . 1 . . . . . 4 VAL HB . 16443 1 20 . 1 1 4 4 VAL HG11 H 1 0.679 0.004 . 1 . . . . . 4 VAL QG1 . 16443 1 21 . 1 1 4 4 VAL HG12 H 1 0.679 0.004 . 1 . . . . . 4 VAL QG1 . 16443 1 22 . 1 1 4 4 VAL HG13 H 1 0.679 0.004 . 1 . . . . . 4 VAL QG1 . 16443 1 23 . 1 1 4 4 VAL HG21 H 1 -0.376 0.000 . 1 . . . . . 4 VAL QG2 . 16443 1 24 . 1 1 4 4 VAL HG22 H 1 -0.376 0.000 . 1 . . . . . 4 VAL QG2 . 16443 1 25 . 1 1 4 4 VAL HG23 H 1 -0.376 0.000 . 1 . . . . . 4 VAL QG2 . 16443 1 26 . 1 1 5 5 PRO HA H 1 4.284 0.005 . 1 . . . . . 5 PRO HA . 16443 1 27 . 1 1 5 5 PRO HB3 H 1 3.211 0.006 . 2 . . . . . 5 PRO HB3 . 16443 1 28 . 1 1 5 5 PRO HD2 H 1 4.449 0.009 . 2 . . . . . 5 PRO HD2 . 16443 1 29 . 1 1 5 5 PRO HG2 H 1 2.184 0.001 . 2 . . . . . 5 PRO HG2 . 16443 1 30 . 1 1 5 5 PRO HG3 H 1 -1.520 0.000 . 2 . . . . . 5 PRO HG3 . 16443 1 31 . 1 1 6 6 ASP H H 1 8.707 0.002 . 1 . . . . . 6 ASP HN . 16443 1 32 . 1 1 6 6 ASP HA H 1 5.141 0.008 . 1 . . . . . 6 ASP HA . 16443 1 33 . 1 1 6 6 ASP HB2 H 1 2.828 0.003 . 2 . . . . . 6 ASP HB2 . 16443 1 34 . 1 1 6 6 ASP HB3 H 1 3.050 0.005 . 2 . . . . . 6 ASP HB3 . 16443 1 35 . 1 1 7 7 LYS H H 1 8.293 0.005 . 1 . . . . . 7 LYS HN . 16443 1 36 . 1 1 7 7 LYS HA H 1 5.269 0.002 . 1 . . . . . 7 LYS HA . 16443 1 37 . 1 1 7 7 LYS HB2 H 1 1.945 0.006 . 2 . . . . . 7 LYS HB2 . 16443 1 38 . 1 1 7 7 LYS HB3 H 1 2.122 0.008 . 2 . . . . . 7 LYS HB3 . 16443 1 39 . 1 1 7 7 LYS HE2 H 1 3.044 0.003 . 2 . . . . . 7 LYS HE2 . 16443 1 40 . 1 1 7 7 LYS HG2 H 1 1.630 0.005 . 2 . . . . . 7 LYS HG2 . 16443 1 41 . 1 1 8 8 PRO HA H 1 5.251 0.002 . 1 . . . . . 8 PRO HA . 16443 1 42 . 1 1 8 8 PRO HB2 H 1 1.929 0.004 . 1 . . . . . 8 PRO HB2 . 16443 1 43 . 1 1 8 8 PRO HB3 H 1 2.094 0.003 . 1 . . . . . 8 PRO HB3 . 16443 1 44 . 1 1 8 8 PRO HD2 H 1 3.731 0.004 . 2 . . . . . 8 PRO HD2 . 16443 1 45 . 1 1 8 8 PRO HD3 H 1 4.180 0.015 . 2 . . . . . 8 PRO HD3 . 16443 1 46 . 1 1 8 8 PRO HG2 H 1 1.743 0.003 . 1 . . . . . 8 PRO HG2 . 16443 1 47 . 1 1 8 8 PRO HG3 H 1 1.803 0.008 . 1 . . . . . 8 PRO HG3 . 16443 1 48 . 1 1 9 9 VAL H H 1 8.799 0.004 . 1 . . . . . 9 VAL HN . 16443 1 49 . 1 1 9 9 VAL HA H 1 4.882 0.005 . 1 . . . . . 9 VAL HA . 16443 1 50 . 1 1 9 9 VAL HB H 1 2.537 0.002 . 1 . . . . . 9 VAL HB . 16443 1 51 . 1 1 9 9 VAL HG11 H 1 1.831 0.006 . 1 . . . . . 9 VAL QG1 . 16443 1 52 . 1 1 9 9 VAL HG12 H 1 1.831 0.006 . 1 . . . . . 9 VAL QG1 . 16443 1 53 . 1 1 9 9 VAL HG13 H 1 1.831 0.006 . 1 . . . . . 9 VAL QG1 . 16443 1 54 . 1 1 9 9 VAL HG21 H 1 1.855 0.019 . 1 . . . . . 9 VAL QG2 . 16443 1 55 . 1 1 9 9 VAL HG22 H 1 1.855 0.019 . 1 . . . . . 9 VAL QG2 . 16443 1 56 . 1 1 9 9 VAL HG23 H 1 1.855 0.019 . 1 . . . . . 9 VAL QG2 . 16443 1 57 . 1 1 10 10 GLU H H 1 8.624 0.002 . 1 . . . . . 10 GLU HN . 16443 1 58 . 1 1 10 10 GLU HA H 1 3.837 0.008 . 1 . . . . . 10 GLU HA . 16443 1 59 . 1 1 10 10 GLU HB2 H 1 1.701 0.007 . 2 . . . . . 10 GLU HB2 . 16443 1 60 . 1 1 10 10 GLU HB3 H 1 1.443 0.004 . 2 . . . . . 10 GLU HB3 . 16443 1 61 . 1 1 10 10 GLU HG2 H 1 2.084 0.000 . 2 . . . . . 10 GLU HG2 . 16443 1 62 . 1 1 10 10 GLU HG3 H 1 1.875 0.000 . 2 . . . . . 10 GLU HG3 . 16443 1 63 . 1 1 11 11 VAL H H 1 8.242 0.002 . 1 . . . . . 11 VAL HN . 16443 1 64 . 1 1 11 11 VAL HA H 1 3.323 0.007 . 1 . . . . . 11 VAL HA . 16443 1 65 . 1 1 11 11 VAL HB H 1 0.305 0.005 . 1 . . . . . 11 VAL HB . 16443 1 66 . 1 1 11 11 VAL HG11 H 1 -1.019 0.005 . 1 . . . . . 11 VAL QG1 . 16443 1 67 . 1 1 11 11 VAL HG12 H 1 -1.019 0.005 . 1 . . . . . 11 VAL QG1 . 16443 1 68 . 1 1 11 11 VAL HG13 H 1 -1.019 0.005 . 1 . . . . . 11 VAL QG1 . 16443 1 69 . 1 1 11 11 VAL HG21 H 1 -1.070 0.009 . 1 . . . . . 11 VAL QG2 . 16443 1 70 . 1 1 11 11 VAL HG22 H 1 -1.070 0.009 . 1 . . . . . 11 VAL QG2 . 16443 1 71 . 1 1 11 11 VAL HG23 H 1 -1.070 0.009 . 1 . . . . . 11 VAL QG2 . 16443 1 72 . 1 1 12 12 LYS H H 1 7.750 0.002 . 1 . . . . . 12 LYS HN . 16443 1 73 . 1 1 12 12 LYS HA H 1 4.431 0.001 . 1 . . . . . 12 LYS HA . 16443 1 74 . 1 1 12 12 LYS HB2 H 1 1.442 0.009 . 2 . . . . . 12 LYS HB2 . 16443 1 75 . 1 1 12 12 LYS HB3 H 1 1.691 0.010 . 2 . . . . . 12 LYS HB3 . 16443 1 76 . 1 1 12 12 LYS HD2 H 1 1.354 0.000 . 2 . . . . . 12 LYS HD2 . 16443 1 77 . 1 1 12 12 LYS HE2 H 1 2.831 0.013 . 2 . . . . . 12 LYS HE2 . 16443 1 78 . 1 1 12 12 LYS HG2 H 1 1.159 0.002 . 2 . . . . . 12 LYS HG2 . 16443 1 79 . 1 1 12 12 LYS HG3 H 1 1.520 0.000 . 2 . . . . . 12 LYS HG3 . 16443 1 80 . 1 1 13 13 GLY H H 1 8.100 0.003 . 1 . . . . . 13 GLY HN . 16443 1 81 . 1 1 13 13 GLY HA2 H 1 4.843 0.001 . 1 . . . . . 13 GLY HA2 . 16443 1 82 . 1 1 13 13 GLY HA3 H 1 4.247 0.005 . 1 . . . . . 13 GLY HA3 . 16443 1 83 . 1 1 14 14 SER H H 1 10.465 0.006 . 1 . . . . . 14 SER HN . 16443 1 84 . 1 1 14 14 SER HA H 1 4.427 0.007 . 1 . . . . . 14 SER HA . 16443 1 85 . 1 1 14 14 SER HB2 H 1 4.133 0.011 . 2 . . . . . 14 SER HB2 . 16443 1 86 . 1 1 14 14 SER HB3 H 1 4.045 0.002 . 2 . . . . . 14 SER HB3 . 16443 1 87 . 1 1 15 15 GLN H H 1 10.903 0.003 . 1 . . . . . 15 GLN HN . 16443 1 88 . 1 1 15 15 GLN HA H 1 4.653 0.010 . 1 . . . . . 15 GLN HA . 16443 1 89 . 1 1 15 15 GLN HB2 H 1 1.965 0.005 . 1 . . . . . 15 GLN HB2 . 16443 1 90 . 1 1 15 15 GLN HB3 H 1 2.158 0.001 . 1 . . . . . 15 GLN HB3 . 16443 1 91 . 1 1 15 15 GLN HE21 H 1 6.603 0.011 . 2 . . . . . 15 GLN HE21 . 16443 1 92 . 1 1 15 15 GLN HE22 H 1 7.449 0.000 . 2 . . . . . 15 GLN HE22 . 16443 1 93 . 1 1 15 15 GLN HG2 H 1 2.404 0.004 . 2 . . . . . 15 GLN HG2 . 16443 1 94 . 1 1 15 15 GLN HG3 H 1 2.288 0.018 . 2 . . . . . 15 GLN HG3 . 16443 1 95 . 1 1 16 16 LYS H H 1 8.848 0.003 . 1 . . . . . 16 LYS HN . 16443 1 96 . 1 1 16 16 LYS HA H 1 5.185 0.003 . 1 . . . . . 16 LYS HA . 16443 1 97 . 1 1 16 16 LYS HB2 H 1 2.483 0.013 . 1 . . . . . 16 LYS HB2 . 16443 1 98 . 1 1 16 16 LYS HB3 H 1 3.084 0.005 . 1 . . . . . 16 LYS HB3 . 16443 1 99 . 1 1 16 16 LYS HD2 H 1 3.324 0.000 . 2 . . . . . 16 LYS HD2 . 16443 1 100 . 1 1 16 16 LYS HG2 H 1 1.861 0.019 . 2 . . . . . 16 LYS HG2 . 16443 1 101 . 1 1 16 16 LYS HG3 H 1 2.155 0.002 . 2 . . . . . 16 LYS HG3 . 16443 1 102 . 1 1 17 17 THR H H 1 8.725 0.001 . 1 . . . . . 17 THR HN . 16443 1 103 . 1 1 17 17 THR HA H 1 4.539 0.002 . 1 . . . . . 17 THR HA . 16443 1 104 . 1 1 17 17 THR HB H 1 3.857 0.003 . 1 . . . . . 17 THR HB . 16443 1 105 . 1 1 17 17 THR HG21 H 1 0.792 0.005 . 1 . . . . . 17 THR QG2 . 16443 1 106 . 1 1 17 17 THR HG22 H 1 0.792 0.005 . 1 . . . . . 17 THR QG2 . 16443 1 107 . 1 1 17 17 THR HG23 H 1 0.792 0.005 . 1 . . . . . 17 THR QG2 . 16443 1 108 . 1 1 18 18 VAL H H 1 7.887 0.000 . 1 . . . . . 18 VAL HN . 16443 1 109 . 1 1 18 18 VAL HA H 1 3.795 0.000 . 1 . . . . . 18 VAL HA . 16443 1 110 . 1 1 18 18 VAL HB H 1 -1.415 0.005 . 1 . . . . . 18 VAL HB . 16443 1 111 . 1 1 18 18 VAL HG11 H 1 -2.083 0.006 . 1 . . . . . 18 VAL QG1 . 16443 1 112 . 1 1 18 18 VAL HG12 H 1 -2.083 0.006 . 1 . . . . . 18 VAL QG1 . 16443 1 113 . 1 1 18 18 VAL HG13 H 1 -2.083 0.006 . 1 . . . . . 18 VAL QG1 . 16443 1 114 . 1 1 18 18 VAL HG21 H 1 -1.178 0.009 . 1 . . . . . 18 VAL QG2 . 16443 1 115 . 1 1 18 18 VAL HG22 H 1 -1.178 0.009 . 1 . . . . . 18 VAL QG2 . 16443 1 116 . 1 1 18 18 VAL HG23 H 1 -1.178 0.009 . 1 . . . . . 18 VAL QG2 . 16443 1 117 . 1 1 19 19 MET H H 1 7.827 0.005 . 1 . . . . . 19 MET HN . 16443 1 118 . 1 1 19 19 MET HA H 1 4.290 0.005 . 1 . . . . . 19 MET HA . 16443 1 119 . 1 1 19 19 MET HB2 H 1 1.142 0.007 . 1 . . . . . 19 MET HB2 . 16443 1 120 . 1 1 19 19 MET HB3 H 1 1.546 0.004 . 1 . . . . . 19 MET HB3 . 16443 1 121 . 1 1 19 19 MET HE1 H 1 1.700 0.003 . 1 . . . . . 19 MET QE . 16443 1 122 . 1 1 19 19 MET HE2 H 1 1.700 0.003 . 1 . . . . . 19 MET QE . 16443 1 123 . 1 1 19 19 MET HE3 H 1 1.700 0.003 . 1 . . . . . 19 MET QE . 16443 1 124 . 1 1 19 19 MET HG2 H 1 2.246 0.014 . 1 . . . . . 19 MET HG2 . 16443 1 125 . 1 1 19 19 MET HG3 H 1 2.449 0.004 . 1 . . . . . 19 MET HG3 . 16443 1 126 . 1 1 20 20 PHE H H 1 8.998 0.008 . 1 . . . . . 20 PHE HN . 16443 1 127 . 1 1 20 20 PHE HA H 1 3.514 0.009 . 1 . . . . . 20 PHE HA . 16443 1 128 . 1 1 20 20 PHE HB2 H 1 0.367 0.007 . 1 . . . . . 20 PHE HB2 . 16443 1 129 . 1 1 20 20 PHE HB3 H 1 1.468 0.011 . 1 . . . . . 20 PHE HB3 . 16443 1 130 . 1 1 20 20 PHE HD2 H 1 4.419 0.020 . 3 . . . . . 20 PHE HD2 . 16443 1 131 . 1 1 20 20 PHE HE2 H 1 5.820 0.004 . 3 . . . . . 20 PHE HE2 . 16443 1 132 . 1 1 21 21 PRO HA H 1 5.643 0.003 . 1 . . . . . 21 PRO HA . 16443 1 133 . 1 1 21 21 PRO HB2 H 1 1.735 0.000 . 2 . . . . . 21 PRO HB2 . 16443 1 134 . 1 1 21 21 PRO HB3 H 1 1.961 0.002 . 2 . . . . . 21 PRO HB3 . 16443 1 135 . 1 1 21 21 PRO HD2 H 1 1.136 0.005 . 2 . . . . . 21 PRO HD2 . 16443 1 136 . 1 1 21 21 PRO HD3 H 1 2.451 0.006 . 2 . . . . . 21 PRO HD3 . 16443 1 137 . 1 1 21 21 PRO HG2 H 1 0.338 0.008 . 2 . . . . . 21 PRO HG2 . 16443 1 138 . 1 1 21 21 PRO HG3 H 1 0.352 0.008 . 2 . . . . . 21 PRO HG3 . 16443 1 139 . 1 1 22 22 HIS H H 1 11.707 0.005 . 1 . . . . . 22 HIS HN . 16443 1 140 . 1 1 22 22 HIS HA H 1 9.486 0.006 . 1 . . . . . 22 HIS HA . 16443 1 141 . 1 1 22 22 HIS HB2 H 1 8.302 0.006 . 1 . . . . . 22 HIS HB2 . 16443 1 142 . 1 1 22 22 HIS HB3 H 1 10.061 0.009 . 1 . . . . . 22 HIS HB3 . 16443 1 143 . 1 1 23 23 ALA H H 1 10.849 0.001 . 1 . . . . . 23 ALA HN . 16443 1 144 . 1 1 23 23 ALA HA H 1 5.844 0.005 . 1 . . . . . 23 ALA HA . 16443 1 145 . 1 1 23 23 ALA HB1 H 1 2.229 0.002 . 1 . . . . . 23 ALA QB . 16443 1 146 . 1 1 23 23 ALA HB2 H 1 2.229 0.002 . 1 . . . . . 23 ALA QB . 16443 1 147 . 1 1 23 23 ALA HB3 H 1 2.229 0.002 . 1 . . . . . 23 ALA QB . 16443 1 148 . 1 1 24 24 PRO HA H 1 5.172 0.001 . 1 . . . . . 24 PRO HA . 16443 1 149 . 1 1 24 24 PRO HB2 H 1 0.556 0.007 . 2 . . . . . 24 PRO HB2 . 16443 1 150 . 1 1 24 24 PRO HB3 H 1 1.357 0.020 . 2 . . . . . 24 PRO HB3 . 16443 1 151 . 1 1 24 24 PRO HD2 H 1 4.451 0.009 . 1 . . . . . 24 PRO HD2 . 16443 1 152 . 1 1 24 24 PRO HD3 H 1 4.133 0.006 . 1 . . . . . 24 PRO HD3 . 16443 1 153 . 1 1 24 24 PRO HG2 H 1 0.712 0.007 . 1 . . . . . 24 PRO HG2 . 16443 1 154 . 1 1 24 24 PRO HG3 H 1 0.890 0.005 . 1 . . . . . 24 PRO HG3 . 16443 1 155 . 1 1 25 25 HIS H H 1 11.027 0.002 . 1 . . . . . 25 HIS HN . 16443 1 156 . 1 1 25 25 HIS HA H 1 7.802 0.007 . 1 . . . . . 25 HIS HA . 16443 1 157 . 1 1 25 25 HIS HB2 H 1 7.771 0.003 . 2 . . . . . 25 HIS HB2 . 16443 1 158 . 1 1 26 26 GLU H H 1 9.054 0.001 . 1 . . . . . 26 GLU HN . 16443 1 159 . 1 1 26 26 GLU HA H 1 5.501 0.004 . 1 . . . . . 26 GLU HA . 16443 1 160 . 1 1 26 26 GLU HB2 H 1 3.111 0.009 . 2 . . . . . 26 GLU HB2 . 16443 1 161 . 1 1 26 26 GLU HB3 H 1 3.042 0.000 . 2 . . . . . 26 GLU HB3 . 16443 1 162 . 1 1 26 26 GLU HG2 H 1 3.156 0.008 . 2 . . . . . 26 GLU HG2 . 16443 1 163 . 1 1 27 27 LYS H H 1 9.328 0.005 . 1 . . . . . 27 LYS HN . 16443 1 164 . 1 1 27 27 LYS HA H 1 4.726 0.006 . 1 . . . . . 27 LYS HA . 16443 1 165 . 1 1 27 27 LYS HB2 H 1 1.746 0.014 . 2 . . . . . 27 LYS HB2 . 16443 1 166 . 1 1 27 27 LYS HB3 H 1 2.144 0.002 . 2 . . . . . 27 LYS HB3 . 16443 1 167 . 1 1 27 27 LYS HD2 H 1 2.311 0.008 . 2 . . . . . 27 LYS HD2 . 16443 1 168 . 1 1 27 27 LYS HD3 H 1 2.151 0.009 . 2 . . . . . 27 LYS HD3 . 16443 1 169 . 1 1 27 27 LYS HE2 H 1 3.169 0.010 . 2 . . . . . 27 LYS HE2 . 16443 1 170 . 1 1 27 27 LYS HG2 H 1 1.870 0.012 . 2 . . . . . 27 LYS HG2 . 16443 1 171 . 1 1 27 27 LYS HG3 H 1 1.865 0.016 . 2 . . . . . 27 LYS HG3 . 16443 1 172 . 1 1 28 28 VAL H H 1 8.679 0.006 . 1 . . . . . 28 VAL HN . 16443 1 173 . 1 1 28 28 VAL HA H 1 3.963 0.004 . 1 . . . . . 28 VAL HA . 16443 1 174 . 1 1 28 28 VAL HB H 1 2.630 0.019 . 1 . . . . . 28 VAL HB . 16443 1 175 . 1 1 28 28 VAL HG11 H 1 0.112 0.009 . 1 . . . . . 28 VAL QG1 . 16443 1 176 . 1 1 28 28 VAL HG12 H 1 0.112 0.009 . 1 . . . . . 28 VAL QG1 . 16443 1 177 . 1 1 28 28 VAL HG13 H 1 0.112 0.009 . 1 . . . . . 28 VAL QG1 . 16443 1 178 . 1 1 28 28 VAL HG21 H 1 0.653 0.006 . 1 . . . . . 28 VAL QG2 . 16443 1 179 . 1 1 28 28 VAL HG22 H 1 0.653 0.006 . 1 . . . . . 28 VAL QG2 . 16443 1 180 . 1 1 28 28 VAL HG23 H 1 0.653 0.006 . 1 . . . . . 28 VAL QG2 . 16443 1 181 . 1 1 29 29 GLU H H 1 8.666 0.007 . 1 . . . . . 29 GLU HN . 16443 1 182 . 1 1 29 29 GLU HA H 1 4.591 0.003 . 1 . . . . . 29 GLU HA . 16443 1 183 . 1 1 29 29 GLU HB2 H 1 2.201 0.012 . 2 . . . . . 29 GLU HB2 . 16443 1 184 . 1 1 29 29 GLU HB3 H 1 2.207 0.010 . 2 . . . . . 29 GLU HB3 . 16443 1 185 . 1 1 29 29 GLU HG2 H 1 2.455 0.005 . 2 . . . . . 29 GLU HG2 . 16443 1 186 . 1 1 29 29 GLU HG3 H 1 2.622 0.013 . 2 . . . . . 29 GLU HG3 . 16443 1 187 . 1 1 30 30 CYS H H 1 9.254 0.007 . 1 . . . . . 30 CYS HN . 16443 1 188 . 1 1 30 30 CYS HA H 1 5.403 0.012 . 1 . . . . . 30 CYS HA . 16443 1 189 . 1 1 30 30 CYS HB2 H 1 4.029 0.008 . 2 . . . . . 30 CYS HB2 . 16443 1 190 . 1 1 30 30 CYS HB3 H 1 3.741 0.007 . 2 . . . . . 30 CYS HB3 . 16443 1 191 . 1 1 31 31 VAL H H 1 9.030 0.003 . 1 . . . . . 31 VAL HN . 16443 1 192 . 1 1 31 31 VAL HA H 1 6.031 0.004 . 1 . . . . . 31 VAL HA . 16443 1 193 . 1 1 31 31 VAL HB H 1 3.258 0.000 . 1 . . . . . 31 VAL HB . 16443 1 194 . 1 1 31 31 VAL HG11 H 1 1.695 0.003 . 1 . . . . . 31 VAL QG1 . 16443 1 195 . 1 1 31 31 VAL HG12 H 1 1.695 0.003 . 1 . . . . . 31 VAL QG1 . 16443 1 196 . 1 1 31 31 VAL HG13 H 1 1.695 0.003 . 1 . . . . . 31 VAL QG1 . 16443 1 197 . 1 1 31 31 VAL HG21 H 1 2.350 0.001 . 1 . . . . . 31 VAL QG2 . 16443 1 198 . 1 1 31 31 VAL HG22 H 1 2.350 0.001 . 1 . . . . . 31 VAL QG2 . 16443 1 199 . 1 1 31 31 VAL HG23 H 1 2.350 0.001 . 1 . . . . . 31 VAL QG2 . 16443 1 200 . 1 1 32 32 THR H H 1 8.235 0.002 . 1 . . . . . 32 THR HN . 16443 1 201 . 1 1 32 32 THR HA H 1 4.039 0.002 . 1 . . . . . 32 THR HA . 16443 1 202 . 1 1 32 32 THR HB H 1 3.564 0.002 . 1 . . . . . 32 THR HB . 16443 1 203 . 1 1 32 32 THR HG21 H 1 -0.058 0.012 . 1 . . . . . 32 THR QG2 . 16443 1 204 . 1 1 32 32 THR HG22 H 1 -0.058 0.012 . 1 . . . . . 32 THR QG2 . 16443 1 205 . 1 1 32 32 THR HG23 H 1 -0.058 0.012 . 1 . . . . . 32 THR QG2 . 16443 1 206 . 1 1 33 33 CYS H H 1 6.701 0.003 . 1 . . . . . 33 CYS HN . 16443 1 207 . 1 1 33 33 CYS HA H 1 3.135 0.008 . 1 . . . . . 33 CYS HA . 16443 1 208 . 1 1 33 33 CYS HB2 H 1 -0.056 0.017 . 1 . . . . . 33 CYS HB2 . 16443 1 209 . 1 1 33 33 CYS HB3 H 1 -3.157 0.017 . 1 . . . . . 33 CYS HB3 . 16443 1 210 . 1 1 34 34 HIS H H 1 10.999 0.000 . 1 . . . . . 34 HIS HN . 16443 1 211 . 1 1 34 34 HIS HA H 1 7.555 0.005 . 1 . . . . . 34 HIS HA . 16443 1 212 . 1 1 34 34 HIS HB2 H 1 7.723 0.008 . 1 . . . . . 34 HIS HB2 . 16443 1 213 . 1 1 34 34 HIS HB3 H 1 15.344 0.012 . 1 . . . . . 34 HIS HB3 . 16443 1 214 . 1 1 35 35 HIS H H 1 12.377 0.003 . 1 . . . . . 35 HIS HN . 16443 1 215 . 1 1 35 35 HIS HA H 1 8.893 0.003 . 1 . . . . . 35 HIS HA . 16443 1 216 . 1 1 35 35 HIS HB2 H 1 11.818 0.008 . 1 . . . . . 35 HIS HB2 . 16443 1 217 . 1 1 35 35 HIS HB3 H 1 9.313 0.032 . 1 . . . . . 35 HIS HB3 . 16443 1 218 . 1 1 36 36 LEU H H 1 11.830 0.002 . 1 . . . . . 36 LEU HN . 16443 1 219 . 1 1 36 36 LEU HA H 1 6.547 0.002 . 1 . . . . . 36 LEU HA . 16443 1 220 . 1 1 36 36 LEU HB2 H 1 2.239 0.002 . 2 . . . . . 36 LEU HB2 . 16443 1 221 . 1 1 36 36 LEU HB3 H 1 3.452 0.004 . 2 . . . . . 36 LEU HB3 . 16443 1 222 . 1 1 36 36 LEU HD11 H 1 1.716 0.009 . 2 . . . . . 36 LEU QD1 . 16443 1 223 . 1 1 36 36 LEU HD12 H 1 1.716 0.009 . 2 . . . . . 36 LEU QD1 . 16443 1 224 . 1 1 36 36 LEU HD13 H 1 1.716 0.009 . 2 . . . . . 36 LEU QD1 . 16443 1 225 . 1 1 36 36 LEU HD21 H 1 1.722 0.007 . 2 . . . . . 36 LEU QD2 . 16443 1 226 . 1 1 36 36 LEU HD22 H 1 1.722 0.007 . 2 . . . . . 36 LEU QD2 . 16443 1 227 . 1 1 36 36 LEU HD23 H 1 1.722 0.007 . 2 . . . . . 36 LEU QD2 . 16443 1 228 . 1 1 36 36 LEU HG H 1 3.210 0.005 . 1 . . . . . 36 LEU HG . 16443 1 229 . 1 1 37 37 VAL H H 1 10.473 0.001 . 1 . . . . . 37 VAL HN . 16443 1 230 . 1 1 37 37 VAL HA H 1 4.960 0.004 . 1 . . . . . 37 VAL HA . 16443 1 231 . 1 1 37 37 VAL HB H 1 2.250 0.005 . 1 . . . . . 37 VAL HB . 16443 1 232 . 1 1 37 37 VAL HG11 H 1 -0.026 0.004 . 2 . . . . . 37 VAL QG1 . 16443 1 233 . 1 1 37 37 VAL HG12 H 1 -0.026 0.004 . 2 . . . . . 37 VAL QG1 . 16443 1 234 . 1 1 37 37 VAL HG13 H 1 -0.026 0.004 . 2 . . . . . 37 VAL QG1 . 16443 1 235 . 1 1 37 37 VAL HG21 H 1 1.710 0.004 . 2 . . . . . 37 VAL QG2 . 16443 1 236 . 1 1 37 37 VAL HG22 H 1 1.710 0.004 . 2 . . . . . 37 VAL QG2 . 16443 1 237 . 1 1 37 37 VAL HG23 H 1 1.710 0.004 . 2 . . . . . 37 VAL QG2 . 16443 1 238 . 1 1 38 38 ASP H H 1 9.560 0.005 . 1 . . . . . 38 ASP HN . 16443 1 239 . 1 1 38 38 ASP HA H 1 4.211 0.005 . 1 . . . . . 38 ASP HA . 16443 1 240 . 1 1 38 38 ASP HB2 H 1 2.898 0.008 . 2 . . . . . 38 ASP HB2 . 16443 1 241 . 1 1 38 38 ASP HB3 H 1 2.448 0.018 . 2 . . . . . 38 ASP HB3 . 16443 1 242 . 1 1 39 39 GLY H H 1 9.031 0.003 . 1 . . . . . 39 GLY HN . 16443 1 243 . 1 1 39 39 GLY HA2 H 1 3.982 0.010 . 2 . . . . . 39 GLY HA2 . 16443 1 244 . 1 1 39 39 GLY HA3 H 1 4.380 0.002 . 2 . . . . . 39 GLY HA3 . 16443 1 245 . 1 1 40 40 LYS H H 1 8.308 0.004 . 1 . . . . . 40 LYS HN . 16443 1 246 . 1 1 40 40 LYS HA H 1 5.084 0.004 . 1 . . . . . 40 LYS HA . 16443 1 247 . 1 1 40 40 LYS HB2 H 1 2.097 0.010 . 2 . . . . . 40 LYS HB2 . 16443 1 248 . 1 1 40 40 LYS HB3 H 1 2.126 0.011 . 2 . . . . . 40 LYS HB3 . 16443 1 249 . 1 1 40 40 LYS HD2 H 1 1.822 0.007 . 2 . . . . . 40 LYS HD2 . 16443 1 250 . 1 1 40 40 LYS HD3 H 1 1.768 0.009 . 2 . . . . . 40 LYS HD3 . 16443 1 251 . 1 1 40 40 LYS HE2 H 1 3.072 0.004 . 2 . . . . . 40 LYS HE2 . 16443 1 252 . 1 1 40 40 LYS HG2 H 1 1.623 0.005 . 2 . . . . . 40 LYS HG2 . 16443 1 253 . 1 1 41 41 GLU H H 1 9.145 0.003 . 1 . . . . . 41 GLU HN . 16443 1 254 . 1 1 41 41 GLU HA H 1 5.291 0.003 . 1 . . . . . 41 GLU HA . 16443 1 255 . 1 1 41 41 GLU HB2 H 1 2.516 0.006 . 2 . . . . . 41 GLU HB2 . 16443 1 256 . 1 1 41 41 GLU HB3 H 1 2.425 0.002 . 2 . . . . . 41 GLU HB3 . 16443 1 257 . 1 1 41 41 GLU HG2 H 1 2.871 0.004 . 2 . . . . . 41 GLU HG2 . 16443 1 258 . 1 1 41 41 GLU HG3 H 1 2.869 0.009 . 2 . . . . . 41 GLU HG3 . 16443 1 259 . 1 1 42 42 SER H H 1 9.442 0.003 . 1 . . . . . 42 SER HN . 16443 1 260 . 1 1 42 42 SER HA H 1 4.997 0.009 . 1 . . . . . 42 SER HA . 16443 1 261 . 1 1 42 42 SER HB2 H 1 5.086 0.001 . 1 . . . . . 42 SER HB2 . 16443 1 262 . 1 1 42 42 SER HB3 H 1 4.512 0.004 . 1 . . . . . 42 SER HB3 . 16443 1 263 . 1 1 43 43 TYR H H 1 9.262 0.008 . 1 . . . . . 43 TYR HN . 16443 1 264 . 1 1 43 43 TYR HA H 1 6.821 0.006 . 1 . . . . . 43 TYR HA . 16443 1 265 . 1 1 43 43 TYR HB2 H 1 1.933 0.014 . 2 . . . . . 43 TYR HB2 . 16443 1 266 . 1 1 43 43 TYR HB3 H 1 2.149 0.019 . 2 . . . . . 43 TYR HB3 . 16443 1 267 . 1 1 43 43 TYR HD2 H 1 5.886 0.009 . 3 . . . . . 43 TYR HD2 . 16443 1 268 . 1 1 43 43 TYR HE2 H 1 6.125 0.007 . 3 . . . . . 43 TYR HE2 . 16443 1 269 . 1 1 44 44 ALA H H 1 8.201 0.001 . 1 . . . . . 44 ALA HN . 16443 1 270 . 1 1 44 44 ALA HA H 1 4.224 0.006 . 1 . . . . . 44 ALA HA . 16443 1 271 . 1 1 44 44 ALA HB1 H 1 1.219 0.000 . 1 . . . . . 44 ALA QB . 16443 1 272 . 1 1 44 44 ALA HB2 H 1 1.219 0.000 . 1 . . . . . 44 ALA QB . 16443 1 273 . 1 1 44 44 ALA HB3 H 1 1.219 0.000 . 1 . . . . . 44 ALA QB . 16443 1 274 . 1 1 45 45 LYS H H 1 8.289 0.003 . 1 . . . . . 45 LYS HN . 16443 1 275 . 1 1 45 45 LYS HA H 1 3.270 0.003 . 1 . . . . . 45 LYS HA . 16443 1 276 . 1 1 45 45 LYS HB2 H 1 1.387 0.003 . 2 . . . . . 45 LYS HB2 . 16443 1 277 . 1 1 45 45 LYS HB3 H 1 1.198 0.015 . 2 . . . . . 45 LYS HB3 . 16443 1 278 . 1 1 45 45 LYS HD2 H 1 2.851 0.006 . 2 . . . . . 45 LYS HD2 . 16443 1 279 . 1 1 45 45 LYS HD3 H 1 -0.051 0.003 . 2 . . . . . 45 LYS HD3 . 16443 1 280 . 1 1 45 45 LYS HE2 H 1 3.358 0.002 . 2 . . . . . 45 LYS HE2 . 16443 1 281 . 1 1 45 45 LYS HG2 H 1 0.964 0.008 . 2 . . . . . 45 LYS HG2 . 16443 1 282 . 1 1 45 45 LYS HG3 H 1 1.452 0.011 . 2 . . . . . 45 LYS HG3 . 16443 1 283 . 1 1 46 46 CYS H H 1 6.712 0.006 . 1 . . . . . 46 CYS HN . 16443 1 284 . 1 1 46 46 CYS HA H 1 -0.110 0.009 . 1 . . . . . 46 CYS HA . 16443 1 285 . 1 1 46 46 CYS HB2 H 1 0.390 0.007 . 2 . . . . . 46 CYS HB2 . 16443 1 286 . 1 1 46 46 CYS HB3 H 1 -1.460 0.004 . 2 . . . . . 46 CYS HB3 . 16443 1 287 . 1 1 47 47 GLY H H 1 8.117 0.003 . 1 . . . . . 47 GLY HN . 16443 1 288 . 1 1 47 47 GLY HA2 H 1 5.534 0.002 . 2 . . . . . 47 GLY HA2 . 16443 1 289 . 1 1 47 47 GLY HA3 H 1 3.540 0.011 . 2 . . . . . 47 GLY HA3 . 16443 1 290 . 1 1 48 48 SER H H 1 7.020 0.001 . 1 . . . . . 48 SER HN . 16443 1 291 . 1 1 48 48 SER HA H 1 4.171 0.004 . 1 . . . . . 48 SER HA . 16443 1 292 . 1 1 48 48 SER HB2 H 1 3.776 0.000 . 2 . . . . . 48 SER HB2 . 16443 1 293 . 1 1 48 48 SER HB3 H 1 3.760 0.003 . 2 . . . . . 48 SER HB3 . 16443 1 294 . 1 1 49 49 SER H H 1 8.476 0.001 . 1 . . . . . 49 SER HN . 16443 1 295 . 1 1 49 49 SER HA H 1 4.632 0.000 . 1 . . . . . 49 SER HA . 16443 1 296 . 1 1 49 49 SER HB2 H 1 3.881 0.003 . 2 . . . . . 49 SER HB2 . 16443 1 297 . 1 1 50 50 GLY H H 1 9.148 0.001 . 1 . . . . . 50 GLY HN . 16443 1 298 . 1 1 50 50 GLY HA2 H 1 4.209 0.012 . 1 . . . . . 50 GLY HA2 . 16443 1 299 . 1 1 50 50 GLY HA3 H 1 3.732 0.004 . 1 . . . . . 50 GLY HA3 . 16443 1 300 . 1 1 51 51 CYS H H 1 8.745 0.005 . 1 . . . . . 51 CYS HN . 16443 1 301 . 1 1 51 51 CYS HA H 1 4.085 0.008 . 1 . . . . . 51 CYS HA . 16443 1 302 . 1 1 51 51 CYS HB2 H 1 3.875 0.006 . 2 . . . . . 51 CYS HB2 . 16443 1 303 . 1 1 51 51 CYS HB3 H 1 3.494 0.008 . 2 . . . . . 51 CYS HB3 . 16443 1 304 . 1 1 52 52 HIS H H 1 12.348 0.011 . 1 . . . . . 52 HIS HN . 16443 1 305 . 1 1 52 52 HIS HA H 1 10.323 0.006 . 1 . . . . . 52 HIS HA . 16443 1 306 . 1 1 52 52 HIS HB2 H 1 8.676 0.001 . 1 . . . . . 52 HIS HB2 . 16443 1 307 . 1 1 52 52 HIS HB3 H 1 14.815 0.024 . 1 . . . . . 52 HIS HB3 . 16443 1 308 . 1 1 52 52 HIS HD2 H 1 14.437 0.006 . 1 . . . . . 52 HIS HD2 . 16443 1 309 . 1 1 53 53 ASP H H 1 9.262 0.001 . 1 . . . . . 53 ASP HN . 16443 1 310 . 1 1 53 53 ASP HA H 1 5.370 0.004 . 1 . . . . . 53 ASP HA . 16443 1 311 . 1 1 53 53 ASP HB2 H 1 3.494 0.004 . 1 . . . . . 53 ASP HB2 . 16443 1 312 . 1 1 53 53 ASP HB3 H 1 3.409 0.002 . 1 . . . . . 53 ASP HB3 . 16443 1 313 . 1 1 54 54 ASP H H 1 10.234 0.005 . 1 . . . . . 54 ASP HN . 16443 1 314 . 1 1 54 54 ASP HA H 1 5.553 0.005 . 1 . . . . . 54 ASP HA . 16443 1 315 . 1 1 54 54 ASP HB2 H 1 3.241 0.005 . 1 . . . . . 54 ASP HB2 . 16443 1 316 . 1 1 54 54 ASP HB3 H 1 3.950 0.011 . 1 . . . . . 54 ASP HB3 . 16443 1 317 . 1 1 55 55 LEU H H 1 9.418 0.000 . 1 . . . . . 55 LEU HN . 16443 1 318 . 1 1 55 55 LEU HA H 1 5.221 0.004 . 1 . . . . . 55 LEU HA . 16443 1 319 . 1 1 55 55 LEU HB2 H 1 2.070 0.005 . 2 . . . . . 55 LEU HB2 . 16443 1 320 . 1 1 55 55 LEU HB3 H 1 2.225 0.001 . 2 . . . . . 55 LEU HB3 . 16443 1 321 . 1 1 55 55 LEU HD11 H 1 1.134 0.002 . 1 . . . . . 55 LEU QD1 . 16443 1 322 . 1 1 55 55 LEU HD12 H 1 1.134 0.002 . 1 . . . . . 55 LEU QD1 . 16443 1 323 . 1 1 55 55 LEU HD13 H 1 1.134 0.002 . 1 . . . . . 55 LEU QD1 . 16443 1 324 . 1 1 55 55 LEU HD21 H 1 1.389 0.003 . 1 . . . . . 55 LEU QD2 . 16443 1 325 . 1 1 55 55 LEU HD22 H 1 1.389 0.003 . 1 . . . . . 55 LEU QD2 . 16443 1 326 . 1 1 55 55 LEU HD23 H 1 1.389 0.003 . 1 . . . . . 55 LEU QD2 . 16443 1 327 . 1 1 55 55 LEU HG H 1 2.224 0.003 . 1 . . . . . 55 LEU HG . 16443 1 328 . 1 1 56 56 THR H H 1 9.114 0.003 . 1 . . . . . 56 THR HN . 16443 1 329 . 1 1 56 56 THR HA H 1 4.839 0.005 . 1 . . . . . 56 THR HA . 16443 1 330 . 1 1 56 56 THR HB H 1 4.390 0.000 . 1 . . . . . 56 THR HB . 16443 1 331 . 1 1 56 56 THR HG21 H 1 1.382 0.003 . 1 . . . . . 56 THR QG2 . 16443 1 332 . 1 1 56 56 THR HG22 H 1 1.382 0.003 . 1 . . . . . 56 THR QG2 . 16443 1 333 . 1 1 56 56 THR HG23 H 1 1.382 0.003 . 1 . . . . . 56 THR QG2 . 16443 1 334 . 1 1 57 57 ALA H H 1 9.233 0.008 . 1 . . . . . 57 ALA HN . 16443 1 335 . 1 1 57 57 ALA HA H 1 4.671 0.005 . 1 . . . . . 57 ALA HA . 16443 1 336 . 1 1 57 57 ALA HB1 H 1 2.105 0.010 . 1 . . . . . 57 ALA QB . 16443 1 337 . 1 1 57 57 ALA HB2 H 1 2.105 0.010 . 1 . . . . . 57 ALA QB . 16443 1 338 . 1 1 57 57 ALA HB3 H 1 2.105 0.010 . 1 . . . . . 57 ALA QB . 16443 1 339 . 1 1 58 58 LYS H H 1 9.561 0.007 . 1 . . . . . 58 LYS HN . 16443 1 340 . 1 1 58 58 LYS HA H 1 5.168 0.006 . 1 . . . . . 58 LYS HA . 16443 1 341 . 1 1 58 58 LYS HB2 H 1 2.256 0.008 . 2 . . . . . 58 LYS HB2 . 16443 1 342 . 1 1 58 58 LYS HB3 H 1 2.258 0.000 . 2 . . . . . 58 LYS HB3 . 16443 1 343 . 1 1 58 58 LYS HD2 H 1 1.351 0.005 . 2 . . . . . 58 LYS HD2 . 16443 1 344 . 1 1 58 58 LYS HD3 H 1 0.889 0.007 . 2 . . . . . 58 LYS HD3 . 16443 1 345 . 1 1 58 58 LYS HE2 H 1 4.629 0.000 . 2 . . . . . 58 LYS HE2 . 16443 1 346 . 1 1 58 58 LYS HG2 H 1 1.787 0.001 . 2 . . . . . 58 LYS HG2 . 16443 1 347 . 1 1 59 59 LYS H H 1 7.819 0.001 . 1 . . . . . 59 LYS HN . 16443 1 348 . 1 1 59 59 LYS HA H 1 5.132 0.002 . 1 . . . . . 59 LYS HA . 16443 1 349 . 1 1 59 59 LYS HB2 H 1 1.806 0.005 . 2 . . . . . 59 LYS HB2 . 16443 1 350 . 1 1 59 59 LYS HB3 H 1 1.548 0.005 . 2 . . . . . 59 LYS HB3 . 16443 1 351 . 1 1 59 59 LYS HD2 H 1 2.053 0.004 . 2 . . . . . 59 LYS HD2 . 16443 1 352 . 1 1 59 59 LYS HD3 H 1 1.895 0.000 . 2 . . . . . 59 LYS HD3 . 16443 1 353 . 1 1 59 59 LYS HE2 H 1 2.798 0.001 . 2 . . . . . 59 LYS HE2 . 16443 1 354 . 1 1 59 59 LYS HE3 H 1 3.113 0.005 . 2 . . . . . 59 LYS HE3 . 16443 1 355 . 1 1 59 59 LYS HG2 H 1 1.923 0.000 . 2 . . . . . 59 LYS HG2 . 16443 1 356 . 1 1 59 59 LYS HG3 H 1 1.640 0.005 . 2 . . . . . 59 LYS HG3 . 16443 1 357 . 1 1 60 60 GLY H H 1 6.814 0.004 . 1 . . . . . 60 GLY HN . 16443 1 358 . 1 1 60 60 GLY HA2 H 1 4.949 0.000 . 1 . . . . . 60 GLY HA2 . 16443 1 359 . 1 1 60 60 GLY HA3 H 1 3.876 0.005 . 1 . . . . . 60 GLY HA3 . 16443 1 360 . 1 1 61 61 GLU H H 1 8.734 0.004 . 1 . . . . . 61 GLU HN . 16443 1 361 . 1 1 61 61 GLU HA H 1 5.239 0.004 . 1 . . . . . 61 GLU HA . 16443 1 362 . 1 1 61 61 GLU HB2 H 1 1.971 0.005 . 2 . . . . . 61 GLU HB2 . 16443 1 363 . 1 1 61 61 GLU HB3 H 1 2.042 0.015 . 2 . . . . . 61 GLU HB3 . 16443 1 364 . 1 1 61 61 GLU HG2 H 1 1.470 0.007 . 2 . . . . . 61 GLU HG2 . 16443 1 365 . 1 1 62 62 LYS H H 1 9.574 0.014 . 1 . . . . . 62 LYS HN . 16443 1 366 . 1 1 62 62 LYS HA H 1 7.453 0.002 . 1 . . . . . 62 LYS HA . 16443 1 367 . 1 1 62 62 LYS HB2 H 1 3.487 0.008 . 1 . . . . . 62 LYS HB2 . 16443 1 368 . 1 1 62 62 LYS HB3 H 1 2.935 0.002 . 1 . . . . . 62 LYS HB3 . 16443 1 369 . 1 1 62 62 LYS HD2 H 1 3.305 0.007 . 2 . . . . . 62 LYS HD2 . 16443 1 370 . 1 1 62 62 LYS HD3 H 1 3.457 0.006 . 2 . . . . . 62 LYS HD3 . 16443 1 371 . 1 1 62 62 LYS HE2 H 1 2.700 0.001 . 2 . . . . . 62 LYS HE2 . 16443 1 372 . 1 1 62 62 LYS HG2 H 1 2.326 0.005 . 2 . . . . . 62 LYS HG2 . 16443 1 373 . 1 1 62 62 LYS HG3 H 1 2.456 0.003 . 2 . . . . . 62 LYS HG3 . 16443 1 374 . 1 1 63 63 SER H H 1 9.598 0.010 . 1 . . . . . 63 SER HN . 16443 1 375 . 1 1 63 63 SER HA H 1 6.671 0.001 . 1 . . . . . 63 SER HA . 16443 1 376 . 1 1 63 63 SER HB2 H 1 5.888 0.004 . 2 . . . . . 63 SER HB2 . 16443 1 377 . 1 1 63 63 SER HB3 H 1 4.690 0.009 . 2 . . . . . 63 SER HB3 . 16443 1 378 . 1 1 63 63 SER HG H 1 6.235 0.008 . 1 . . . . . 63 SER HG . 16443 1 379 . 1 1 64 64 LEU H H 1 9.390 0.003 . 1 . . . . . 64 LEU HN . 16443 1 380 . 1 1 64 64 LEU HA H 1 6.514 0.002 . 1 . . . . . 64 LEU HA . 16443 1 381 . 1 1 64 64 LEU HB2 H 1 2.588 0.004 . 2 . . . . . 64 LEU HB2 . 16443 1 382 . 1 1 64 64 LEU HB3 H 1 3.513 0.004 . 2 . . . . . 64 LEU HB3 . 16443 1 383 . 1 1 64 64 LEU HD11 H 1 0.771 0.012 . 1 . . . . . 64 LEU QD1 . 16443 1 384 . 1 1 64 64 LEU HD12 H 1 0.771 0.012 . 1 . . . . . 64 LEU QD1 . 16443 1 385 . 1 1 64 64 LEU HD13 H 1 0.771 0.012 . 1 . . . . . 64 LEU QD1 . 16443 1 386 . 1 1 64 64 LEU HD21 H 1 0.855 0.018 . 1 . . . . . 64 LEU QD2 . 16443 1 387 . 1 1 64 64 LEU HD22 H 1 0.855 0.018 . 1 . . . . . 64 LEU QD2 . 16443 1 388 . 1 1 64 64 LEU HD23 H 1 0.855 0.018 . 1 . . . . . 64 LEU QD2 . 16443 1 389 . 1 1 64 64 LEU HG H 1 1.559 0.004 . 1 . . . . . 64 LEU HG . 16443 1 390 . 1 1 65 65 TYR H H 1 10.302 0.007 . 1 . . . . . 65 TYR HN . 16443 1 391 . 1 1 65 65 TYR HA H 1 7.160 0.012 . 1 . . . . . 65 TYR HA . 16443 1 392 . 1 1 65 65 TYR HB2 H 1 5.263 0.006 . 1 . . . . . 65 TYR HB2 . 16443 1 393 . 1 1 65 65 TYR HB3 H 1 4.257 0.009 . 1 . . . . . 65 TYR HB3 . 16443 1 394 . 1 1 65 65 TYR HD1 H 1 8.879 0.011 . 3 . . . . . 65 TYR HD1 . 16443 1 395 . 1 1 65 65 TYR HD2 H 1 8.883 0.000 . 3 . . . . . 65 TYR HD2 . 16443 1 396 . 1 1 66 66 TYR H H 1 10.681 0.001 . 1 . . . . . 66 TYR HN . 16443 1 397 . 1 1 66 66 TYR HA H 1 5.776 0.002 . 1 . . . . . 66 TYR HA . 16443 1 398 . 1 1 66 66 TYR HB2 H 1 4.912 0.008 . 1 . . . . . 66 TYR HB2 . 16443 1 399 . 1 1 66 66 TYR HB3 H 1 4.428 0.008 . 1 . . . . . 66 TYR HB3 . 16443 1 400 . 1 1 66 66 TYR HD1 H 1 8.204 0.013 . 3 . . . . . 66 TYR HD1 . 16443 1 401 . 1 1 66 66 TYR HE1 H 1 7.244 0.004 . 3 . . . . . 66 TYR HE1 . 16443 1 402 . 1 1 67 67 VAL H H 1 9.482 0.003 . 1 . . . . . 67 VAL HN . 16443 1 403 . 1 1 67 67 VAL HA H 1 3.921 0.008 . 1 . . . . . 67 VAL HA . 16443 1 404 . 1 1 67 67 VAL HB H 1 0.473 0.011 . 1 . . . . . 67 VAL HB . 16443 1 405 . 1 1 67 67 VAL HG11 H 1 2.283 0.010 . 2 . . . . . 67 VAL QG1 . 16443 1 406 . 1 1 67 67 VAL HG12 H 1 2.283 0.010 . 2 . . . . . 67 VAL QG1 . 16443 1 407 . 1 1 67 67 VAL HG13 H 1 2.283 0.010 . 2 . . . . . 67 VAL QG1 . 16443 1 408 . 1 1 68 68 VAL H H 1 8.120 0.007 . 1 . . . . . 68 VAL HN . 16443 1 409 . 1 1 68 68 VAL HA H 1 2.705 0.014 . 1 . . . . . 68 VAL HA . 16443 1 410 . 1 1 68 68 VAL HB H 1 3.557 0.016 . 1 . . . . . 68 VAL HB . 16443 1 411 . 1 1 68 68 VAL HG11 H 1 -2.493 0.013 . 2 . . . . . 68 VAL QG1 . 16443 1 412 . 1 1 68 68 VAL HG12 H 1 -2.493 0.013 . 2 . . . . . 68 VAL QG1 . 16443 1 413 . 1 1 68 68 VAL HG13 H 1 -2.493 0.013 . 2 . . . . . 68 VAL QG1 . 16443 1 414 . 1 1 68 68 VAL HG21 H 1 -0.809 0.008 . 2 . . . . . 68 VAL QG2 . 16443 1 415 . 1 1 68 68 VAL HG22 H 1 -0.809 0.008 . 2 . . . . . 68 VAL QG2 . 16443 1 416 . 1 1 68 68 VAL HG23 H 1 -0.809 0.008 . 2 . . . . . 68 VAL QG2 . 16443 1 417 . 1 1 69 69 HIS H H 1 11.004 0.012 . 1 . . . . . 69 HIS HN . 16443 1 418 . 1 1 69 69 HIS HA H 1 6.554 0.014 . 1 . . . . . 69 HIS HA . 16443 1 419 . 1 1 69 69 HIS HB2 H 1 10.026 0.035 . 2 . . . . . 69 HIS HB2 . 16443 1 420 . 1 1 70 70 ALA H H 1 9.382 0.910 . 1 . . . . . 70 ALA HN . 16443 1 421 . 1 1 70 70 ALA HA H 1 4.840 0.011 . 1 . . . . . 70 ALA HA . 16443 1 422 . 1 1 70 70 ALA HB1 H 1 1.234 0.003 . 1 . . . . . 70 ALA QB . 16443 1 423 . 1 1 70 70 ALA HB2 H 1 1.234 0.003 . 1 . . . . . 70 ALA QB . 16443 1 424 . 1 1 70 70 ALA HB3 H 1 1.234 0.003 . 1 . . . . . 70 ALA QB . 16443 1 425 . 1 1 71 71 ARG H H 1 8.550 0.001 . 1 . . . . . 71 ARG HN . 16443 1 426 . 1 1 71 71 ARG HA H 1 4.292 0.005 . 1 . . . . . 71 ARG HA . 16443 1 427 . 1 1 71 71 ARG HB2 H 1 1.951 0.003 . 2 . . . . . 71 ARG HB2 . 16443 1 428 . 1 1 71 71 ARG HB3 H 1 1.814 0.011 . 2 . . . . . 71 ARG HB3 . 16443 1 429 . 1 1 71 71 ARG HD2 H 1 3.166 0.004 . 2 . . . . . 71 ARG HD2 . 16443 1 430 . 1 1 71 71 ARG HG2 H 1 1.439 0.003 . 2 . . . . . 71 ARG HG2 . 16443 1 431 . 1 1 72 72 GLY H H 1 7.793 0.004 . 1 . . . . . 72 GLY HN . 16443 1 432 . 1 1 72 72 GLY HA2 H 1 3.839 0.002 . 1 . . . . . 72 GLY HA2 . 16443 1 433 . 1 1 72 72 GLY HA3 H 1 3.920 0.006 . 1 . . . . . 72 GLY HA3 . 16443 1 434 . 1 1 73 73 GLU H H 1 8.197 0.002 . 1 . . . . . 73 GLU HN . 16443 1 435 . 1 1 73 73 GLU HA H 1 3.949 0.004 . 1 . . . . . 73 GLU HA . 16443 1 436 . 1 1 73 73 GLU HB2 H 1 1.789 0.004 . 2 . . . . . 73 GLU HB2 . 16443 1 437 . 1 1 73 73 GLU HB3 H 1 1.773 0.001 . 2 . . . . . 73 GLU HB3 . 16443 1 438 . 1 1 73 73 GLU HG2 H 1 2.052 0.009 . 2 . . . . . 73 GLU HG2 . 16443 1 439 . 1 1 74 74 LEU H H 1 7.501 0.003 . 1 . . . . . 74 LEU HN . 16443 1 440 . 1 1 74 74 LEU HA H 1 4.286 0.004 . 1 . . . . . 74 LEU HA . 16443 1 441 . 1 1 74 74 LEU HB2 H 1 1.265 0.005 . 2 . . . . . 74 LEU HB2 . 16443 1 442 . 1 1 74 74 LEU HB3 H 1 1.389 0.002 . 2 . . . . . 74 LEU HB3 . 16443 1 443 . 1 1 74 74 LEU HD11 H 1 0.353 0.005 . 1 . . . . . 74 LEU QD1 . 16443 1 444 . 1 1 74 74 LEU HD12 H 1 0.353 0.005 . 1 . . . . . 74 LEU QD1 . 16443 1 445 . 1 1 74 74 LEU HD13 H 1 0.353 0.005 . 1 . . . . . 74 LEU QD1 . 16443 1 446 . 1 1 74 74 LEU HD21 H 1 0.517 0.004 . 1 . . . . . 74 LEU QD2 . 16443 1 447 . 1 1 74 74 LEU HD22 H 1 0.517 0.004 . 1 . . . . . 74 LEU QD2 . 16443 1 448 . 1 1 74 74 LEU HD23 H 1 0.517 0.004 . 1 . . . . . 74 LEU QD2 . 16443 1 449 . 1 1 74 74 LEU HG H 1 1.202 0.008 . 1 . . . . . 74 LEU HG . 16443 1 450 . 1 1 75 75 LYS H H 1 8.507 0.003 . 1 . . . . . 75 LYS HN . 16443 1 451 . 1 1 75 75 LYS HA H 1 3.546 0.003 . 1 . . . . . 75 LYS HA . 16443 1 452 . 1 1 75 75 LYS HB2 H 1 0.774 0.044 . 2 . . . . . 75 LYS HB2 . 16443 1 453 . 1 1 75 75 LYS HB3 H 1 0.545 0.008 . 2 . . . . . 75 LYS HB3 . 16443 1 454 . 1 1 75 75 LYS HD2 H 1 2.360 0.002 . 2 . . . . . 75 LYS HD2 . 16443 1 455 . 1 1 75 75 LYS HG2 H 1 0.751 0.004 . 1 . . . . . 75 LYS HG2 . 16443 1 456 . 1 1 75 75 LYS HG3 H 1 0.914 0.009 . 1 . . . . . 75 LYS HG3 . 16443 1 457 . 1 1 76 76 HIS H H 1 6.504 0.003 . 1 . . . . . 76 HIS HN . 16443 1 458 . 1 1 76 76 HIS HA H 1 4.970 0.015 . 1 . . . . . 76 HIS HA . 16443 1 459 . 1 1 76 76 HIS HB2 H 1 2.167 0.006 . 1 . . . . . 76 HIS HB2 . 16443 1 460 . 1 1 76 76 HIS HB3 H 1 4.382 0.010 . 1 . . . . . 76 HIS HB3 . 16443 1 461 . 1 1 76 76 HIS HE1 H 1 10.421 0.004 . 1 . . . . . 76 HIS HE1 . 16443 1 462 . 1 1 77 77 THR H H 1 8.123 0.004 . 1 . . . . . 77 THR HN . 16443 1 463 . 1 1 77 77 THR HA H 1 3.140 0.004 . 1 . . . . . 77 THR HA . 16443 1 464 . 1 1 77 77 THR HB H 1 2.621 0.004 . 1 . . . . . 77 THR HB . 16443 1 465 . 1 1 77 77 THR HG21 H 1 -0.792 0.004 . 1 . . . . . 77 THR QG2 . 16443 1 466 . 1 1 77 77 THR HG22 H 1 -0.792 0.004 . 1 . . . . . 77 THR QG2 . 16443 1 467 . 1 1 77 77 THR HG23 H 1 -0.792 0.004 . 1 . . . . . 77 THR QG2 . 16443 1 468 . 1 1 78 78 SER H H 1 6.039 0.004 . 1 . . . . . 78 SER HN . 16443 1 469 . 1 1 78 78 SER HA H 1 2.690 0.006 . 1 . . . . . 78 SER HA . 16443 1 470 . 1 1 78 78 SER HB2 H 1 5.714 0.001 . 2 . . . . . 78 SER HB2 . 16443 1 471 . 1 1 78 78 SER HB3 H 1 3.196 0.020 . 2 . . . . . 78 SER HB3 . 16443 1 472 . 1 1 79 79 CYS H H 1 5.166 0.006 . 1 . . . . . 79 CYS HN . 16443 1 473 . 1 1 79 79 CYS HA H 1 -1.452 0.004 . 1 . . . . . 79 CYS HA . 16443 1 474 . 1 1 79 79 CYS HB2 H 1 1.441 0.000 . 2 . . . . . 79 CYS HB2 . 16443 1 475 . 1 1 80 80 LEU H H 1 7.082 0.005 . 1 . . . . . 80 LEU HN . 16443 1 476 . 1 1 80 80 LEU HA H 1 4.893 0.005 . 1 . . . . . 80 LEU HA . 16443 1 477 . 1 1 80 80 LEU HB2 H 1 2.399 0.013 . 2 . . . . . 80 LEU HB2 . 16443 1 478 . 1 1 80 80 LEU HB3 H 1 2.060 0.001 . 2 . . . . . 80 LEU HB3 . 16443 1 479 . 1 1 80 80 LEU HD11 H 1 1.836 0.016 . 2 . . . . . 80 LEU QD1 . 16443 1 480 . 1 1 80 80 LEU HD12 H 1 1.836 0.016 . 2 . . . . . 80 LEU QD1 . 16443 1 481 . 1 1 80 80 LEU HD13 H 1 1.836 0.016 . 2 . . . . . 80 LEU QD1 . 16443 1 482 . 1 1 80 80 LEU HD21 H 1 1.451 0.020 . 2 . . . . . 80 LEU QD2 . 16443 1 483 . 1 1 80 80 LEU HD22 H 1 1.451 0.020 . 2 . . . . . 80 LEU QD2 . 16443 1 484 . 1 1 80 80 LEU HD23 H 1 1.451 0.020 . 2 . . . . . 80 LEU QD2 . 16443 1 485 . 1 1 80 80 LEU HG H 1 3.215 0.009 . 1 . . . . . 80 LEU HG . 16443 1 486 . 1 1 81 81 ALA H H 1 7.948 0.005 . 1 . . . . . 81 ALA HN . 16443 1 487 . 1 1 81 81 ALA HA H 1 3.950 0.009 . 1 . . . . . 81 ALA HA . 16443 1 488 . 1 1 81 81 ALA HB1 H 1 0.849 0.003 . 1 . . . . . 81 ALA QB . 16443 1 489 . 1 1 81 81 ALA HB2 H 1 0.849 0.003 . 1 . . . . . 81 ALA QB . 16443 1 490 . 1 1 81 81 ALA HB3 H 1 0.849 0.003 . 1 . . . . . 81 ALA QB . 16443 1 491 . 1 1 82 82 CYS H H 1 5.600 0.000 . 1 . . . . . 82 CYS HN . 16443 1 492 . 1 1 82 82 CYS HA H 1 3.504 0.004 . 1 . . . . . 82 CYS HA . 16443 1 493 . 1 1 82 82 CYS HB2 H 1 0.377 0.003 . 1 . . . . . 82 CYS HB2 . 16443 1 494 . 1 1 82 82 CYS HB3 H 1 -1.873 0.000 . 1 . . . . . 82 CYS HB3 . 16443 1 495 . 1 1 83 83 HIS H H 1 10.066 0.000 . 1 . . . . . 83 HIS HN . 16443 1 496 . 1 1 83 83 HIS HA H 1 9.571 0.005 . 1 . . . . . 83 HIS HA . 16443 1 497 . 1 1 83 83 HIS HB2 H 1 8.322 0.000 . 2 . . . . . 83 HIS HB2 . 16443 1 498 . 1 1 84 84 SER H H 1 9.010 0.002 . 1 . . . . . 84 SER HN . 16443 1 499 . 1 1 84 84 SER HA H 1 4.613 0.017 . 1 . . . . . 84 SER HA . 16443 1 500 . 1 1 84 84 SER HB2 H 1 4.145 0.000 . 2 . . . . . 84 SER HB2 . 16443 1 501 . 1 1 84 84 SER HB3 H 1 4.247 0.001 . 2 . . . . . 84 SER HB3 . 16443 1 502 . 1 1 85 85 LYS H H 1 7.203 0.000 . 1 . . . . . 85 LYS HN . 16443 1 503 . 1 1 85 85 LYS HA H 1 4.115 0.006 . 1 . . . . . 85 LYS HA . 16443 1 504 . 1 1 85 85 LYS HB2 H 1 1.761 0.005 . 1 . . . . . 85 LYS HB2 . 16443 1 505 . 1 1 85 85 LYS HD2 H 1 1.372 0.002 . 2 . . . . . 85 LYS HD2 . 16443 1 506 . 1 1 85 85 LYS HE2 H 1 2.678 0.007 . 2 . . . . . 85 LYS HE2 . 16443 1 507 . 1 1 85 85 LYS HG3 H 1 1.218 0.007 . 2 . . . . . 85 LYS HG3 . 16443 1 508 . 1 1 86 86 VAL H H 1 8.119 0.002 . 1 . . . . . 86 VAL HN . 16443 1 509 . 1 1 86 86 VAL HA H 1 3.684 0.000 . 1 . . . . . 86 VAL HA . 16443 1 510 . 1 1 86 86 VAL HB H 1 2.624 0.004 . 1 . . . . . 86 VAL HB . 16443 1 511 . 1 1 86 86 VAL HG11 H 1 0.809 0.003 . 1 . . . . . 86 VAL QG1 . 16443 1 512 . 1 1 86 86 VAL HG12 H 1 0.809 0.003 . 1 . . . . . 86 VAL QG1 . 16443 1 513 . 1 1 86 86 VAL HG13 H 1 0.809 0.003 . 1 . . . . . 86 VAL QG1 . 16443 1 514 . 1 1 86 86 VAL HG21 H 1 1.020 0.002 . 1 . . . . . 86 VAL QG2 . 16443 1 515 . 1 1 86 86 VAL HG22 H 1 1.020 0.002 . 1 . . . . . 86 VAL QG2 . 16443 1 516 . 1 1 86 86 VAL HG23 H 1 1.020 0.002 . 1 . . . . . 86 VAL QG2 . 16443 1 517 . 1 1 87 87 VAL H H 1 8.218 0.000 . 1 . . . . . 87 VAL HN . 16443 1 518 . 1 1 87 87 VAL HA H 1 3.992 0.004 . 1 . . . . . 87 VAL HA . 16443 1 519 . 1 1 87 87 VAL HB H 1 2.307 0.008 . 1 . . . . . 87 VAL HB . 16443 1 520 . 1 1 87 87 VAL HG11 H 1 1.237 0.004 . 1 . . . . . 87 VAL QG1 . 16443 1 521 . 1 1 87 87 VAL HG12 H 1 1.237 0.004 . 1 . . . . . 87 VAL QG1 . 16443 1 522 . 1 1 87 87 VAL HG13 H 1 1.237 0.004 . 1 . . . . . 87 VAL QG1 . 16443 1 523 . 1 1 87 87 VAL HG21 H 1 1.375 0.003 . 1 . . . . . 87 VAL QG2 . 16443 1 524 . 1 1 87 87 VAL HG22 H 1 1.375 0.003 . 1 . . . . . 87 VAL QG2 . 16443 1 525 . 1 1 87 87 VAL HG23 H 1 1.375 0.003 . 1 . . . . . 87 VAL QG2 . 16443 1 526 . 1 1 88 88 ALA H H 1 7.419 0.003 . 1 . . . . . 88 ALA HN . 16443 1 527 . 1 1 88 88 ALA HA H 1 4.149 0.006 . 1 . . . . . 88 ALA HA . 16443 1 528 . 1 1 88 88 ALA HB1 H 1 1.500 0.002 . 1 . . . . . 88 ALA QB . 16443 1 529 . 1 1 88 88 ALA HB2 H 1 1.500 0.002 . 1 . . . . . 88 ALA QB . 16443 1 530 . 1 1 88 88 ALA HB3 H 1 1.500 0.002 . 1 . . . . . 88 ALA QB . 16443 1 531 . 1 1 89 89 GLU H H 1 7.009 0.003 . 1 . . . . . 89 GLU HN . 16443 1 532 . 1 1 89 89 GLU HA H 1 4.263 0.004 . 1 . . . . . 89 GLU HA . 16443 1 533 . 1 1 89 89 GLU HB2 H 1 2.107 0.006 . 1 . . . . . 89 GLU HB2 . 16443 1 534 . 1 1 89 89 GLU HB3 H 1 2.078 0.005 . 1 . . . . . 89 GLU HB3 . 16443 1 535 . 1 1 89 89 GLU HG2 H 1 2.374 0.006 . 2 . . . . . 89 GLU HG2 . 16443 1 536 . 1 1 89 89 GLU HG3 H 1 2.262 0.003 . 2 . . . . . 89 GLU HG3 . 16443 1 537 . 1 1 90 90 LYS H H 1 7.816 0.003 . 1 . . . . . 90 LYS HN . 16443 1 538 . 1 1 90 90 LYS HA H 1 4.687 0.007 . 1 . . . . . 90 LYS HA . 16443 1 539 . 1 1 90 90 LYS HB2 H 1 1.536 0.003 . 1 . . . . . 90 LYS HB2 . 16443 1 540 . 1 1 90 90 LYS HB3 H 1 1.436 0.000 . 1 . . . . . 90 LYS HB3 . 16443 1 541 . 1 1 90 90 LYS HE2 H 1 2.797 0.006 . 2 . . . . . 90 LYS HE2 . 16443 1 542 . 1 1 90 90 LYS HG2 H 1 1.236 0.008 . 2 . . . . . 90 LYS HG2 . 16443 1 543 . 1 1 91 91 PRO HA H 1 4.529 0.006 . 1 . . . . . 91 PRO HA . 16443 1 544 . 1 1 91 91 PRO HB2 H 1 2.325 0.007 . 2 . . . . . 91 PRO HB2 . 16443 1 545 . 1 1 91 91 PRO HD2 H 1 3.649 0.005 . 2 . . . . . 91 PRO HD2 . 16443 1 546 . 1 1 91 91 PRO HD3 H 1 3.235 0.003 . 1 . . . . . 91 PRO HD3 . 16443 1 547 . 1 1 91 91 PRO HG2 H 1 1.924 0.002 . 1 . . . . . 91 PRO HG2 . 16443 1 548 . 1 1 92 92 GLU H H 1 9.842 0.001 . 1 . . . . . 92 GLU HN . 16443 1 549 . 1 1 92 92 GLU HA H 1 4.161 0.003 . 1 . . . . . 92 GLU HA . 16443 1 550 . 1 1 92 92 GLU HB2 H 1 1.951 0.000 . 2 . . . . . 92 GLU HB2 . 16443 1 551 . 1 1 92 92 GLU HB3 H 1 1.865 0.004 . 2 . . . . . 92 GLU HB3 . 16443 1 552 . 1 1 92 92 GLU HG2 H 1 2.235 0.004 . 2 . . . . . 92 GLU HG2 . 16443 1 553 . 1 1 93 93 LEU H H 1 8.015 0.001 . 1 . . . . . 93 LEU HN . 16443 1 554 . 1 1 93 93 LEU HA H 1 4.248 0.005 . 1 . . . . . 93 LEU HA . 16443 1 555 . 1 1 93 93 LEU HB2 H 1 1.643 0.003 . 1 . . . . . 93 LEU HB2 . 16443 1 556 . 1 1 93 93 LEU HB3 H 1 1.661 0.000 . 1 . . . . . 93 LEU HB3 . 16443 1 557 . 1 1 93 93 LEU HD11 H 1 0.327 0.006 . 1 . . . . . 93 LEU QD1 . 16443 1 558 . 1 1 93 93 LEU HD12 H 1 0.327 0.006 . 1 . . . . . 93 LEU QD1 . 16443 1 559 . 1 1 93 93 LEU HD13 H 1 0.327 0.006 . 1 . . . . . 93 LEU QD1 . 16443 1 560 . 1 1 93 93 LEU HD21 H 1 0.248 0.003 . 1 . . . . . 93 LEU QD2 . 16443 1 561 . 1 1 93 93 LEU HD22 H 1 0.248 0.003 . 1 . . . . . 93 LEU QD2 . 16443 1 562 . 1 1 93 93 LEU HD23 H 1 0.248 0.003 . 1 . . . . . 93 LEU QD2 . 16443 1 563 . 1 1 93 93 LEU HG H 1 1.237 0.004 . 1 . . . . . 93 LEU HG . 16443 1 564 . 1 1 94 94 LYS H H 1 7.627 0.001 . 1 . . . . . 94 LYS HN . 16443 1 565 . 1 1 94 94 LYS HA H 1 3.920 0.002 . 1 . . . . . 94 LYS HA . 16443 1 566 . 1 1 94 94 LYS HB2 H 1 1.935 0.007 . 1 . . . . . 94 LYS HB2 . 16443 1 567 . 1 1 94 94 LYS HB3 H 1 2.038 0.006 . 1 . . . . . 94 LYS HB3 . 16443 1 568 . 1 1 94 94 LYS HD2 H 1 1.240 0.005 . 2 . . . . . 94 LYS HD2 . 16443 1 569 . 1 1 94 94 LYS HD3 H 1 1.740 0.004 . 2 . . . . . 94 LYS HD3 . 16443 1 570 . 1 1 94 94 LYS HE2 H 1 2.996 0.009 . 2 . . . . . 94 LYS HE2 . 16443 1 571 . 1 1 94 94 LYS HG2 H 1 1.473 0.002 . 2 . . . . . 94 LYS HG2 . 16443 1 572 . 1 1 94 94 LYS HG3 H 1 1.332 0.005 . 2 . . . . . 94 LYS HG3 . 16443 1 573 . 1 1 95 95 LYS H H 1 8.776 0.001 . 1 . . . . . 95 LYS HN . 16443 1 574 . 1 1 95 95 LYS HA H 1 4.083 0.002 . 1 . . . . . 95 LYS HA . 16443 1 575 . 1 1 95 95 LYS HB2 H 1 1.507 0.002 . 2 . . . . . 95 LYS HB2 . 16443 1 576 . 1 1 95 95 LYS HD2 H 1 1.850 0.007 . 2 . . . . . 95 LYS HD2 . 16443 1 577 . 1 1 95 95 LYS HD3 H 1 1.702 0.004 . 2 . . . . . 95 LYS HD3 . 16443 1 578 . 1 1 95 95 LYS HE2 H 1 3.016 0.003 . 2 . . . . . 95 LYS HE2 . 16443 1 579 . 1 1 95 95 LYS HG2 H 1 1.414 0.000 . 2 . . . . . 95 LYS HG2 . 16443 1 580 . 1 1 96 96 ASP H H 1 8.150 0.001 . 1 . . . . . 96 ASP HN . 16443 1 581 . 1 1 96 96 ASP HA H 1 4.112 0.005 . 1 . . . . . 96 ASP HA . 16443 1 582 . 1 1 96 96 ASP HB2 H 1 2.055 0.009 . 1 . . . . . 96 ASP HB2 . 16443 1 583 . 1 1 96 96 ASP HB3 H 1 1.448 0.005 . 1 . . . . . 96 ASP HB3 . 16443 1 584 . 1 1 97 97 LEU H H 1 8.261 0.005 . 1 . . . . . 97 LEU HN . 16443 1 585 . 1 1 97 97 LEU HA H 1 4.663 0.004 . 1 . . . . . 97 LEU HA . 16443 1 586 . 1 1 97 97 LEU HB2 H 1 2.394 0.007 . 1 . . . . . 97 LEU HB2 . 16443 1 587 . 1 1 97 97 LEU HB3 H 1 3.219 0.008 . 1 . . . . . 97 LEU HB3 . 16443 1 588 . 1 1 97 97 LEU HD11 H 1 0.679 0.005 . 2 . . . . . 97 LEU QD1 . 16443 1 589 . 1 1 97 97 LEU HD12 H 1 0.679 0.005 . 2 . . . . . 97 LEU QD1 . 16443 1 590 . 1 1 97 97 LEU HD13 H 1 0.679 0.005 . 2 . . . . . 97 LEU QD1 . 16443 1 591 . 1 1 97 97 LEU HD21 H 1 -2.925 0.003 . 2 . . . . . 97 LEU QD2 . 16443 1 592 . 1 1 97 97 LEU HD22 H 1 -2.925 0.003 . 2 . . . . . 97 LEU QD2 . 16443 1 593 . 1 1 97 97 LEU HD23 H 1 -2.925 0.003 . 2 . . . . . 97 LEU QD2 . 16443 1 594 . 1 1 97 97 LEU HG H 1 -0.224 0.003 . 1 . . . . . 97 LEU HG . 16443 1 595 . 1 1 98 98 THR H H 1 8.814 0.003 . 1 . . . . . 98 THR HN . 16443 1 596 . 1 1 98 98 THR HA H 1 6.106 0.006 . 1 . . . . . 98 THR HA . 16443 1 597 . 1 1 98 98 THR HB H 1 5.153 0.003 . 1 . . . . . 98 THR HB . 16443 1 598 . 1 1 98 98 THR HG21 H 1 2.151 0.002 . 1 . . . . . 98 THR QG2 . 16443 1 599 . 1 1 98 98 THR HG22 H 1 2.151 0.002 . 1 . . . . . 98 THR QG2 . 16443 1 600 . 1 1 98 98 THR HG23 H 1 2.151 0.002 . 1 . . . . . 98 THR QG2 . 16443 1 601 . 1 1 99 99 GLY H H 1 8.526 0.005 . 1 . . . . . 99 GLY HN . 16443 1 602 . 1 1 99 99 GLY HA2 H 1 4.432 0.004 . 2 . . . . . 99 GLY HA2 . 16443 1 603 . 1 1 99 99 GLY HA3 H 1 4.526 0.005 . 2 . . . . . 99 GLY HA3 . 16443 1 604 . 1 1 100 100 CYS H H 1 8.897 0.001 . 1 . . . . . 100 CYS HN . 16443 1 605 . 1 1 100 100 CYS HA H 1 3.618 0.021 . 1 . . . . . 100 CYS HA . 16443 1 606 . 1 1 100 100 CYS HB2 H 1 1.724 0.007 . 1 . . . . . 100 CYS HB2 . 16443 1 607 . 1 1 100 100 CYS HB3 H 1 0.031 0.012 . 1 . . . . . 100 CYS HB3 . 16443 1 608 . 1 1 101 101 ALA H H 1 7.745 0.003 . 1 . . . . . 101 ALA HN . 16443 1 609 . 1 1 101 101 ALA HA H 1 5.527 0.008 . 1 . . . . . 101 ALA HA . 16443 1 610 . 1 1 101 101 ALA HB1 H 1 1.338 0.003 . 1 . . . . . 101 ALA QB . 16443 1 611 . 1 1 101 101 ALA HB2 H 1 1.338 0.003 . 1 . . . . . 101 ALA QB . 16443 1 612 . 1 1 101 101 ALA HB3 H 1 1.338 0.003 . 1 . . . . . 101 ALA QB . 16443 1 613 . 1 1 102 102 LYS H H 1 9.122 0.008 . 1 . . . . . 102 LYS HN . 16443 1 614 . 1 1 102 102 LYS HA H 1 4.494 0.002 . 1 . . . . . 102 LYS HA . 16443 1 615 . 1 1 102 102 LYS HB2 H 1 1.572 0.005 . 1 . . . . . 102 LYS HB2 . 16443 1 616 . 1 1 102 102 LYS HB3 H 1 2.107 0.006 . 1 . . . . . 102 LYS HB3 . 16443 1 617 . 1 1 102 102 LYS HE2 H 1 3.050 0.000 . 2 . . . . . 102 LYS HE2 . 16443 1 618 . 1 1 102 102 LYS HG2 H 1 1.846 0.003 . 2 . . . . . 102 LYS HG2 . 16443 1 619 . 1 1 102 102 LYS HG3 H 1 1.751 0.003 . 2 . . . . . 102 LYS HG3 . 16443 1 620 . 1 1 103 103 SER H H 1 9.057 0.016 . 1 . . . . . 103 SER HN . 16443 1 621 . 1 1 103 103 SER HA H 1 5.247 0.006 . 1 . . . . . 103 SER HA . 16443 1 622 . 1 1 103 103 SER HB2 H 1 4.899 0.007 . 1 . . . . . 103 SER HB2 . 16443 1 623 . 1 1 103 103 SER HB3 H 1 4.347 0.004 . 1 . . . . . 103 SER HB3 . 16443 1 624 . 1 1 103 103 SER HG H 1 6.348 0.006 . 1 . . . . . 103 SER HG . 16443 1 625 . 1 1 104 104 LYS H H 1 8.998 0.002 . 1 . . . . . 104 LYS HN . 16443 1 626 . 1 1 104 104 LYS HA H 1 3.732 0.002 . 1 . . . . . 104 LYS HA . 16443 1 627 . 1 1 104 104 LYS HB2 H 1 -0.026 0.009 . 1 . . . . . 104 LYS HB2 . 16443 1 628 . 1 1 104 104 LYS HB3 H 1 0.089 0.006 . 1 . . . . . 104 LYS HB3 . 16443 1 629 . 1 1 104 104 LYS HD2 H 1 0.679 0.008 . 2 . . . . . 104 LYS HD2 . 16443 1 630 . 1 1 104 104 LYS HD3 H 1 2.068 0.004 . 2 . . . . . 104 LYS HD3 . 16443 1 631 . 1 1 104 104 LYS HE3 H 1 1.947 0.007 . 2 . . . . . 104 LYS HE3 . 16443 1 632 . 1 1 104 104 LYS HG2 H 1 0.371 0.011 . 1 . . . . . 104 LYS HG2 . 16443 1 633 . 1 1 104 104 LYS HG3 H 1 0.201 0.006 . 1 . . . . . 104 LYS HG3 . 16443 1 634 . 1 1 105 105 CYS H H 1 7.100 0.005 . 1 . . . . . 105 CYS HN . 16443 1 635 . 1 1 105 105 CYS HA H 1 4.020 0.010 . 1 . . . . . 105 CYS HA . 16443 1 636 . 1 1 105 105 CYS HB2 H 1 3.417 0.005 . 2 . . . . . 105 CYS HB2 . 16443 1 637 . 1 1 105 105 CYS HB3 H 1 -0.635 0.001 . 2 . . . . . 105 CYS HB3 . 16443 1 638 . 1 1 106 106 HIS H H 1 9.365 0.008 . 1 . . . . . 106 HIS HN . 16443 1 639 . 1 1 106 106 HIS HA H 1 8.987 0.012 . 1 . . . . . 106 HIS HA . 16443 1 640 . 1 1 106 106 HIS HB2 H 1 7.479 0.008 . 1 . . . . . 106 HIS HB2 . 16443 1 641 . 1 1 106 106 HIS HB3 H 1 19.061 0.000 . 1 . . . . . 106 HIS HB3 . 16443 1 642 . 1 1 107 107 PRO HA H 1 4.992 0.004 . 1 . . . . . 107 PRO HA . 16443 1 643 . 1 1 107 107 PRO HB2 H 1 2.580 0.003 . 2 . . . . . 107 PRO HB2 . 16443 1 644 . 1 1 107 107 PRO HB3 H 1 2.472 0.002 . 2 . . . . . 107 PRO HB3 . 16443 1 645 . 1 1 107 107 PRO HD2 H 1 4.408 0.005 . 2 . . . . . 107 PRO HD2 . 16443 1 646 . 1 1 107 107 PRO HG2 H 1 2.296 0.001 . 2 . . . . . 107 PRO HG2 . 16443 1 647 . 1 1 107 107 PRO HG3 H 1 2.238 0.005 . 2 . . . . . 107 PRO HG3 . 16443 1 648 . 1 2 1 1 HEM_ox 1HAD H 1 -2.606 0.011 . 1 . . . . . . . HA62 . 16443 1 649 . 1 2 1 1 HEM_ox 2HAD H 1 1.159 0.026 . 1 . . . . . . . HA63 . 16443 1 650 . 1 2 1 1 HEM_ox 1HAA H 1 12.943 0.011 . 1 . . . . . . . HA72 . 16443 1 651 . 1 2 1 1 HEM_ox 2HAA H 1 19.315 0.004 . 1 . . . . . . . HA73 . 16443 1 652 . 1 2 1 1 HEM_ox HHC H 1 12.820 0.002 . 1 . . . . . . . HAM . 16443 1 653 . 1 2 1 1 HEM_ox 1HBD H 1 1.590 0.013 . 1 . . . . . . . HB62 . 16443 1 654 . 1 2 1 1 HEM_ox 2HBD H 1 0.489 0.009 . 1 . . . . . . . HB63 . 16443 1 655 . 1 2 1 1 HEM_ox 1HBA H 1 2.157 0.000 . 1 . . . . . . . HB72 . 16443 1 656 . 1 2 1 1 HEM_ox 2HBA H 1 4.900 0.019 . 1 . . . . . . . HB73 . 16443 1 657 . 1 2 1 1 HEM_ox HHD H 1 -8.073 0.029 . 1 . . . . . . . HBM . 16443 1 658 . 1 2 1 1 HEM_ox HHB H 1 -3.323 0.000 . 1 . . . . . . . HDM . 16443 1 659 . 1 2 1 1 HEM_ox HHA H 1 11.572 0.004 . 1 . . . . . . . HGM . 16443 1 660 . 1 2 1 1 HEM_ox HAB H 1 3.090 0.005 . 1 . . . . . . . HT2A . 16443 1 661 . 1 2 1 1 HEM_ox HAC H 1 -4.154 0.000 . 1 . . . . . . . HT4A . 16443 1 662 . 1 2 1 1 HEM_ox 1HMB H 1 23.296 0.000 . 1 . . . . . . . QM1 . 16443 1 663 . 1 2 1 1 HEM_ox 1HMC H 1 4.255 0.009 . 1 . . . . . . . QM3 . 16443 1 664 . 1 2 1 1 HEM_ox 1HMD H 1 18.166 0.005 . 1 . . . . . . . QM5 . 16443 1 665 . 1 2 1 1 HEM_ox 1HMA H 1 26.304 0.007 . 1 . . . . . . . QM8 . 16443 1 666 . 1 2 1 1 HEM_ox 1HBB H 1 0.991 0.002 . 1 . . . . . . . QT2 . 16443 1 667 . 1 2 1 1 HEM_ox 1HBC H 1 -3.619 0.002 . 1 . . . . . . . QT4 . 16443 1 668 . 2 2 1 1 HEM_ox 1HAD H 1 2.082 0.001 . 1 . . . . . . . HA62 . 16443 1 669 . 2 2 1 1 HEM_ox 2HAD H 1 0.649 0.008 . 1 . . . . . . . HA63 . 16443 1 670 . 2 2 1 1 HEM_ox 1HAA H 1 14.558 0.005 . 1 . . . . . . . HA72 . 16443 1 671 . 2 2 1 1 HEM_ox 2HAA H 1 4.106 0.005 . 1 . . . . . . . HA73 . 16443 1 672 . 2 2 1 1 HEM_ox HHC H 1 2.817 0.005 . 1 . . . . . . . HAM . 16443 1 673 . 2 2 1 1 HEM_ox 1HBD H 1 -0.917 0.007 . 2 . . . . . . . HB62 . 16443 1 674 . 2 2 1 1 HEM_ox 2HBD H 1 -0.938 0.015 . 2 . . . . . . . HB63 . 16443 1 675 . 2 2 1 1 HEM_ox 1HBA H 1 1.119 0.005 . 2 . . . . . . . HB72 . 16443 1 676 . 2 2 1 1 HEM_ox 2HBA H 1 -0.242 0.010 . 2 . . . . . . . HB73 . 16443 1 677 . 2 2 1 1 HEM_ox HHD H 1 1.111 0.008 . 1 . . . . . . . HBM . 16443 1 678 . 2 2 1 1 HEM_ox HHA H 1 0.764 0.011 . 1 . . . . . . . HGM . 16443 1 679 . 2 2 1 1 HEM_ox HAB H 1 -1.642 0.014 . 1 . . . . . . . HT2A . 16443 1 680 . 2 2 1 1 HEM_ox 1HMB H 1 4.635 0.006 . 1 . . . . . . . QM1 . 16443 1 681 . 2 2 1 1 HEM_ox 1HMC H 1 22.548 0.000 . 1 . . . . . . . QM3 . 16443 1 682 . 2 2 1 1 HEM_ox 1HMD H 1 6.596 0.005 . 1 . . . . . . . QM5 . 16443 1 683 . 2 2 1 1 HEM_ox 1HMA H 1 22.117 0.012 . 1 . . . . . . . QM8 . 16443 1 684 . 2 2 1 1 HEM_ox 1HBB H 1 -2.834 0.009 . 1 . . . . . . . QT2 . 16443 1 685 . 2 2 1 1 HEM_ox 1HBC H 1 1.912 0.004 . 1 . . . . . . . QT4 . 16443 1 686 . 3 2 1 1 HEM_ox 1HAD H 1 23.526 0.060 . 2 . . . . . . . HA62 . 16443 1 687 . 3 2 1 1 HEM_ox 2HAD H 1 16.176 0.075 . 2 . . . . . . . HA63 . 16443 1 688 . 3 2 1 1 HEM_ox 1HAA H 1 1.416 0.004 . 1 . . . . . . . HA72 . 16443 1 689 . 3 2 1 1 HEM_ox 2HAA H 1 -2.753 0.013 . 1 . . . . . . . HA73 . 16443 1 690 . 3 2 1 1 HEM_ox HHC H 1 -0.815 0.008 . 1 . . . . . . . HAM . 16443 1 691 . 3 2 1 1 HEM_ox 1HBD H 1 0.047 0.007 . 2 . . . . . . . HB62 . 16443 1 692 . 3 2 1 1 HEM_ox 2HBD H 1 -1.433 0.004 . 2 . . . . . . . HB63 . 16443 1 693 . 3 2 1 1 HEM_ox 1HBA H 1 -2.752 0.009 . 1 . . . . . . . HB72 . 16443 1 694 . 3 2 1 1 HEM_ox 2HBA H 1 2.543 0.005 . 1 . . . . . . . HB73 . 16443 1 695 . 3 2 1 1 HEM_ox HHD H 1 10.613 0.008 . 1 . . . . . . . HBM . 16443 1 696 . 3 2 1 1 HEM_ox HHB H 1 7.716 0.008 . 1 . . . . . . . HDM . 16443 1 697 . 3 2 1 1 HEM_ox HHA H 1 -0.098 0.000 . 1 . . . . . . . HGM . 16443 1 698 . 3 2 1 1 HEM_ox HAB H 1 -1.239 0.017 . 1 . . . . . . . HT2A . 16443 1 699 . 3 2 1 1 HEM_ox HAC H 1 -0.614 0.022 . 1 . . . . . . . HT4A . 16443 1 700 . 3 2 1 1 HEM_ox 1HMB H 1 13.922 0.001 . 1 . . . . . . . QM1 . 16443 1 701 . 3 2 1 1 HEM_ox 1HMC H 1 10.072 0.009 . 1 . . . . . . . QM3 . 16443 1 702 . 3 2 1 1 HEM_ox 1HMD H 1 22.259 0.004 . 1 . . . . . . . QM5 . 16443 1 703 . 3 2 1 1 HEM_ox 1HMA H 1 -3.249 0.004 . 1 . . . . . . . QM8 . 16443 1 704 . 3 2 1 1 HEM_ox 1HBB H 1 -2.718 0.004 . 1 . . . . . . . QT2 . 16443 1 705 . 3 2 1 1 HEM_ox 1HBC H 1 -0.951 0.008 . 1 . . . . . . . QT4 . 16443 1 706 . 4 2 1 1 HEM_ox 1HAD H 1 -0.435 0.012 . 1 . . . . . . . HA62 . 16443 1 707 . 4 2 1 1 HEM_ox 2HAD H 1 -3.244 0.012 . 1 . . . . . . . HA63 . 16443 1 708 . 4 2 1 1 HEM_ox 1HAA H 1 1.632 0.007 . 1 . . . . . . . HA72 . 16443 1 709 . 4 2 1 1 HEM_ox 2HAA H 1 8.851 0.010 . 1 . . . . . . . HA73 . 16443 1 710 . 4 2 1 1 HEM_ox HHC H 1 11.068 0.004 . 1 . . . . . . . HAM . 16443 1 711 . 4 2 1 1 HEM_ox 1HBD H 1 1.350 0.007 . 1 . . . . . . . HB62 . 16443 1 712 . 4 2 1 1 HEM_ox 2HBD H 1 0.531 0.010 . 1 . . . . . . . HB63 . 16443 1 713 . 4 2 1 1 HEM_ox 1HBA H 1 2.884 0.011 . 1 . . . . . . . HB72 . 16443 1 714 . 4 2 1 1 HEM_ox 2HBA H 1 2.584 0.000 . 1 . . . . . . . HB73 . 16443 1 715 . 4 2 1 1 HEM_ox HHD H 1 -4.994 0.009 . 1 . . . . . . . HBM . 16443 1 716 . 4 2 1 1 HEM_ox HHB H 1 -0.612 0.010 . 1 . . . . . . . HDM . 16443 1 717 . 4 2 1 1 HEM_ox HHA H 1 11.542 0.009 . 1 . . . . . . . HGM . 16443 1 718 . 4 2 1 1 HEM_ox HAB H 1 1.727 0.009 . 1 . . . . . . . HT2A . 16443 1 719 . 4 2 1 1 HEM_ox HAC H 1 0.957 0.007 . 1 . . . . . . . HT4A . 16443 1 720 . 4 2 1 1 HEM_ox 1HMB H 1 21.916 0.000 . 1 . . . . . . . QM1 . 16443 1 721 . 4 2 1 1 HEM_ox 1HMC H 1 6.732 0.001 . 1 . . . . . . . QM3 . 16443 1 722 . 4 2 1 1 HEM_ox 1HMD H 1 16.382 0.008 . 1 . . . . . . . QM5 . 16443 1 723 . 4 2 1 1 HEM_ox 1HMA H 1 27.869 0.010 . 1 . . . . . . . QM8 . 16443 1 724 . 4 2 1 1 HEM_ox 1HBB H 1 0.015 0.000 . 1 . . . . . . . QT2 . 16443 1 725 . 4 2 1 1 HEM_ox 1HBC H 1 -2.092 0.000 . 1 . . . . . . . QT4 . 16443 1 stop_ save_