################################### # 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 19985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_PpcD_13C15Nlabelled _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' . . . 19985 1 7 '3D HCCH-TOCSY' . . . 19985 1 11 '2D 1H-1H NOESY' . . . 19985 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 HIS HA H 1 3.165 0.001 . 1 . . . . 1 HIS HA . 19985 1 2 . 1 1 1 1 HIS HB2 H 1 1.446 0.000 . 2 . . . . 1 HIS HB2 . 19985 1 3 . 1 1 1 1 HIS HB3 H 1 2.394 0.001 . 2 . . . . 1 HIS HB3 . 19985 1 4 . 1 1 1 1 HIS CA C 13 55.998 0.012 . 1 . . . . 1 HIS CA . 19985 1 5 . 1 1 1 1 HIS CB C 13 33.110 0.014 . 1 . . . . 1 HIS CB . 19985 1 6 . 1 1 2 2 ASP HA H 1 3.754 0.028 . 1 . . . . 2 ASP HA . 19985 1 7 . 1 1 2 2 ASP HB2 H 1 1.986 0.027 . 2 . . . . 2 ASP HB2 . 19985 1 8 . 1 1 2 2 ASP HB3 H 1 2.135 0.013 . 2 . . . . 2 ASP HB3 . 19985 1 9 . 1 1 2 2 ASP CA C 13 52.208 0.004 . 1 . . . . 2 ASP CA . 19985 1 10 . 1 1 2 2 ASP CB C 13 40.994 0.015 . 1 . . . . 2 ASP CB . 19985 1 11 . 1 1 3 3 LYS H H 1 5.157 0.053 . 1 . . . . 3 LYS HN . 19985 1 12 . 1 1 3 3 LYS HA H 1 3.395 0.021 . 1 . . . . 3 LYS HA . 19985 1 13 . 1 1 3 3 LYS HB2 H 1 0.161 0.035 . 2 . . . . 3 LYS HB2 . 19985 1 14 . 1 1 3 3 LYS HB3 H 1 0.560 0.011 . 2 . . . . 3 LYS HB3 . 19985 1 15 . 1 1 3 3 LYS HG2 H 1 0.687 0.004 . 2 . . . . 3 LYS HG2 . 19985 1 16 . 1 1 3 3 LYS HG3 H 1 0.736 0.008 . 2 . . . . 3 LYS HG3 . 19985 1 17 . 1 1 3 3 LYS HD2 H 1 1.182 0.008 . 2 . . . . 3 LYS HD2 . 19985 1 18 . 1 1 3 3 LYS HD3 H 1 1.260 0.004 . 2 . . . . 3 LYS HD3 . 19985 1 19 . 1 1 3 3 LYS HE2 H 1 2.774 0.008 . 2 . . . . 3 LYS HE2 . 19985 1 20 . 1 1 3 3 LYS CA C 13 56.179 0.025 . 1 . . . . 3 LYS CA . 19985 1 21 . 1 1 3 3 LYS CB C 13 33.205 0.008 . 1 . . . . 3 LYS CB . 19985 1 22 . 1 1 3 3 LYS CG C 13 24.140 0.006 . 1 . . . . 3 LYS CG . 19985 1 23 . 1 1 3 3 LYS CD C 13 28.330 0.011 . 1 . . . . 3 LYS CD . 19985 1 24 . 1 1 3 3 LYS CE C 13 41.887 0.006 . 1 . . . . 3 LYS CE . 19985 1 25 . 1 1 3 3 LYS N N 15 118.361 0.000 . 1 . . . . 3 LYS N . 19985 1 26 . 1 1 4 4 VAL H H 1 8.325 0.008 . 1 . . . . 4 VAL HN . 19985 1 27 . 1 1 4 4 VAL HA H 1 4.023 0.010 . 1 . . . . 4 VAL HA . 19985 1 28 . 1 1 4 4 VAL HB H 1 1.548 0.002 . 1 . . . . 4 VAL HB . 19985 1 29 . 1 1 4 4 VAL HG11 H 1 0.408 0.003 . 1 . . . . 4 VAL HG1 . 19985 1 30 . 1 1 4 4 VAL HG12 H 1 0.408 0.003 . 1 . . . . 4 VAL HG1 . 19985 1 31 . 1 1 4 4 VAL HG13 H 1 0.408 0.003 . 1 . . . . 4 VAL HG1 . 19985 1 32 . 1 1 4 4 VAL CA C 13 61.818 0.030 . 1 . . . . 4 VAL CA . 19985 1 33 . 1 1 4 4 VAL CB C 13 31.434 0.027 . 1 . . . . 4 VAL CB . 19985 1 34 . 1 1 4 4 VAL CG1 C 13 21.250 0.057 . 2 . . . . 4 VAL CG1 . 19985 1 35 . 1 1 4 4 VAL N N 15 128.921 0.000 . 1 . . . . 4 VAL N . 19985 1 36 . 1 1 5 5 VAL H H 1 9.022 0.003 . 1 . . . . 5 VAL HN . 19985 1 37 . 1 1 5 5 VAL HA H 1 4.210 0.006 . 1 . . . . 5 VAL HA . 19985 1 38 . 1 1 5 5 VAL HB H 1 2.017 0.003 . 1 . . . . 5 VAL HB . 19985 1 39 . 1 1 5 5 VAL HG11 H 1 1.158 0.006 . 1 . . . . 5 VAL HG1 . 19985 1 40 . 1 1 5 5 VAL HG12 H 1 1.158 0.006 . 1 . . . . 5 VAL HG1 . 19985 1 41 . 1 1 5 5 VAL HG13 H 1 1.158 0.006 . 1 . . . . 5 VAL HG1 . 19985 1 42 . 1 1 5 5 VAL HG21 H 1 0.555 0.001 . 1 . . . . 5 VAL HG2 . 19985 1 43 . 1 1 5 5 VAL HG22 H 1 0.555 0.001 . 1 . . . . 5 VAL HG2 . 19985 1 44 . 1 1 5 5 VAL HG23 H 1 0.555 0.001 . 1 . . . . 5 VAL HG2 . 19985 1 45 . 1 1 5 5 VAL CA C 13 60.600 0.037 . 1 . . . . 5 VAL CA . 19985 1 46 . 1 1 5 5 VAL CB C 13 34.833 0.017 . 1 . . . . 5 VAL CB . 19985 1 47 . 1 1 5 5 VAL CG1 C 13 21.719 0.054 . 2 . . . . 5 VAL CG1 . 19985 1 48 . 1 1 5 5 VAL CG2 C 13 20.228 0.037 . 2 . . . . 5 VAL CG2 . 19985 1 49 . 1 1 5 5 VAL N N 15 128.427 0.000 . 1 . . . . 5 VAL N . 19985 1 50 . 1 1 6 6 VAL H H 1 8.569 0.004 . 1 . . . . 6 VAL HN . 19985 1 51 . 1 1 6 6 VAL HA H 1 4.512 0.016 . 1 . . . . 6 VAL HA . 19985 1 52 . 1 1 6 6 VAL HB H 1 1.908 0.002 . 1 . . . . 6 VAL HB . 19985 1 53 . 1 1 6 6 VAL HG11 H 1 0.801 0.002 . 1 . . . . 6 VAL HG1 . 19985 1 54 . 1 1 6 6 VAL HG12 H 1 0.801 0.002 . 1 . . . . 6 VAL HG1 . 19985 1 55 . 1 1 6 6 VAL HG13 H 1 0.801 0.002 . 1 . . . . 6 VAL HG1 . 19985 1 56 . 1 1 6 6 VAL HG21 H 1 0.681 0.002 . 1 . . . . 6 VAL HG2 . 19985 1 57 . 1 1 6 6 VAL HG22 H 1 0.681 0.002 . 1 . . . . 6 VAL HG2 . 19985 1 58 . 1 1 6 6 VAL HG23 H 1 0.681 0.002 . 1 . . . . 6 VAL HG2 . 19985 1 59 . 1 1 6 6 VAL CA C 13 62.191 0.011 . 1 . . . . 6 VAL CA . 19985 1 60 . 1 1 6 6 VAL CB C 13 31.794 0.032 . 1 . . . . 6 VAL CB . 19985 1 61 . 1 1 6 6 VAL CG1 C 13 20.993 0.023 . 2 . . . . 6 VAL CG1 . 19985 1 62 . 1 1 6 6 VAL CG2 C 13 21.002 0.003 . 2 . . . . 6 VAL CG2 . 19985 1 63 . 1 1 6 6 VAL N N 15 126.259 0.000 . 1 . . . . 6 VAL N . 19985 1 64 . 1 1 7 7 LEU H H 1 9.703 0.003 . 1 . . . . 7 LEU HN . 19985 1 65 . 1 1 7 7 LEU HA H 1 4.797 0.002 . 1 . . . . 7 LEU HA . 19985 1 66 . 1 1 7 7 LEU HB3 H 1 2.372 0.001 . 2 . . . . 7 LEU HB3 . 19985 1 67 . 1 1 7 7 LEU HG H 1 2.125 0.001 . 1 . . . . 7 LEU HG . 19985 1 68 . 1 1 7 7 LEU HD11 H 1 1.554 0.008 . 1 . . . . 7 LEU HD1 . 19985 1 69 . 1 1 7 7 LEU HD12 H 1 1.554 0.008 . 1 . . . . 7 LEU HD1 . 19985 1 70 . 1 1 7 7 LEU HD13 H 1 1.554 0.008 . 1 . . . . 7 LEU HD1 . 19985 1 71 . 1 1 7 7 LEU HD21 H 1 1.688 0.003 . 1 . . . . 7 LEU HD2 . 19985 1 72 . 1 1 7 7 LEU HD22 H 1 1.688 0.003 . 1 . . . . 7 LEU HD2 . 19985 1 73 . 1 1 7 7 LEU HD23 H 1 1.688 0.003 . 1 . . . . 7 LEU HD2 . 19985 1 74 . 1 1 7 7 LEU CA C 13 53.901 0.001 . 1 . . . . 7 LEU CA . 19985 1 75 . 1 1 7 7 LEU CD1 C 13 24.606 0.063 . 2 . . . . 7 LEU CD1 . 19985 1 76 . 1 1 7 7 LEU CD2 C 13 26.774 0.062 . 2 . . . . 7 LEU CD2 . 19985 1 77 . 1 1 7 7 LEU N N 15 132.664 0.000 . 1 . . . . 7 LEU N . 19985 1 78 . 1 1 8 8 GLU H H 1 8.576 0.003 . 1 . . . . 8 GLU HN . 19985 1 79 . 1 1 8 8 GLU HA H 1 4.037 0.004 . 1 . . . . 8 GLU HA . 19985 1 80 . 1 1 8 8 GLU HB2 H 1 1.881 0.001 . 2 . . . . 8 GLU HB2 . 19985 1 81 . 1 1 8 8 GLU HB3 H 1 1.945 0.009 . 2 . . . . 8 GLU HB3 . 19985 1 82 . 1 1 8 8 GLU HG2 H 1 2.008 0.002 . 2 . . . . 8 GLU HG2 . 19985 1 83 . 1 1 8 8 GLU HG3 H 1 2.301 0.002 . 2 . . . . 8 GLU HG3 . 19985 1 84 . 1 1 8 8 GLU CA C 13 56.696 0.013 . 1 . . . . 8 GLU CA . 19985 1 85 . 1 1 8 8 GLU CB C 13 29.795 0.009 . 1 . . . . 8 GLU CB . 19985 1 86 . 1 1 8 8 GLU CG C 13 37.015 0.024 . 1 . . . . 8 GLU CG . 19985 1 87 . 1 1 8 8 GLU N N 15 124.702 0.000 . 1 . . . . 8 GLU N . 19985 1 88 . 1 1 9 9 ALA H H 1 7.984 0.016 . 1 . . . . 9 ALA HN . 19985 1 89 . 1 1 9 9 ALA HA H 1 4.727 0.000 . 1 . . . . 9 ALA HA . 19985 1 90 . 1 1 9 9 ALA HB1 H 1 0.766 0.006 . 1 . . . . 9 ALA HB . 19985 1 91 . 1 1 9 9 ALA HB2 H 1 0.766 0.006 . 1 . . . . 9 ALA HB . 19985 1 92 . 1 1 9 9 ALA HB3 H 1 0.766 0.006 . 1 . . . . 9 ALA HB . 19985 1 93 . 1 1 9 9 ALA CA C 13 51.130 0.000 . 1 . . . . 9 ALA CA . 19985 1 94 . 1 1 9 9 ALA CB C 13 20.826 0.019 . 1 . . . . 9 ALA CB . 19985 1 95 . 1 1 9 9 ALA N N 15 124.112 0.000 . 1 . . . . 9 ALA N . 19985 1 96 . 1 1 10 10 LYS H H 1 10.034 0.002 . 1 . . . . 10 LYS HN . 19985 1 97 . 1 1 10 10 LYS HA H 1 3.867 0.002 . 1 . . . . 10 LYS HA . 19985 1 98 . 1 1 10 10 LYS HB2 H 1 1.769 0.002 . 2 . . . . 10 LYS HB2 . 19985 1 99 . 1 1 10 10 LYS HB3 H 1 1.793 0.003 . 2 . . . . 10 LYS HB3 . 19985 1 100 . 1 1 10 10 LYS HG2 H 1 1.477 0.001 . 2 . . . . 10 LYS HG2 . 19985 1 101 . 1 1 10 10 LYS HG3 H 1 1.517 0.002 . 2 . . . . 10 LYS HG3 . 19985 1 102 . 1 1 10 10 LYS HD2 H 1 1.714 0.003 . 2 . . . . 10 LYS HD2 . 19985 1 103 . 1 1 10 10 LYS HD3 H 1 1.745 0.003 . 2 . . . . 10 LYS HD3 . 19985 1 104 . 1 1 10 10 LYS HE2 H 1 3.002 0.037 . 2 . . . . 10 LYS HE2 . 19985 1 105 . 1 1 10 10 LYS CA C 13 58.789 0.020 . 1 . . . . 10 LYS CA . 19985 1 106 . 1 1 10 10 LYS CB C 13 31.802 0.016 . 1 . . . . 10 LYS CB . 19985 1 107 . 1 1 10 10 LYS CG C 13 24.704 0.012 . 1 . . . . 10 LYS CG . 19985 1 108 . 1 1 10 10 LYS CD C 13 29.179 0.004 . 1 . . . . 10 LYS CD . 19985 1 109 . 1 1 10 10 LYS CE C 13 42.011 0.010 . 1 . . . . 10 LYS CE . 19985 1 110 . 1 1 10 10 LYS N N 15 124.906 0.000 . 1 . . . . 10 LYS N . 19985 1 111 . 1 1 11 11 ASN H H 1 8.838 0.008 . 1 . . . . 11 ASN HN . 19985 1 112 . 1 1 11 11 ASN HA H 1 4.128 0.002 . 1 . . . . 11 ASN HA . 19985 1 113 . 1 1 11 11 ASN HB2 H 1 1.825 0.031 . 2 . . . . 11 ASN HB2 . 19985 1 114 . 1 1 11 11 ASN HB3 H 1 1.978 0.010 . 2 . . . . 11 ASN HB3 . 19985 1 115 . 1 1 11 11 ASN HD21 H 1 0.783 0.064 . 2 . . . . 11 ASN HD21 . 19985 1 116 . 1 1 11 11 ASN HD22 H 1 5.334 0.026 . 2 . . . . 11 ASN HD22 . 19985 1 117 . 1 1 11 11 ASN CA C 13 52.329 0.027 . 1 . . . . 11 ASN CA . 19985 1 118 . 1 1 11 11 ASN CB C 13 34.405 0.010 . 1 . . . . 11 ASN CB . 19985 1 119 . 1 1 11 11 ASN N N 15 113.527 0.000 . 1 . . . . 11 ASN N . 19985 1 120 . 1 1 11 11 ASN ND2 N 15 107.951 0.002 . 1 . . . . 11 ASN ND2 . 19985 1 121 . 1 1 12 12 GLY H H 1 6.804 0.003 . 1 . . . . 12 GLY HN . 19985 1 122 . 1 1 12 12 GLY HA2 H 1 2.939 0.006 . 2 . . . . 12 GLY HA1 . 19985 1 123 . 1 1 12 12 GLY HA3 H 1 3.334 0.004 . 2 . . . . 12 GLY HA2 . 19985 1 124 . 1 1 12 12 GLY CA C 13 44.041 0.030 . 1 . . . . 12 GLY CA . 19985 1 125 . 1 1 12 12 GLY N N 15 109.790 0.000 . 1 . . . . 12 GLY N . 19985 1 126 . 1 1 13 13 ASN H H 1 8.032 0.004 . 1 . . . . 13 ASN HN . 19985 1 127 . 1 1 13 13 ASN HA H 1 4.331 0.003 . 1 . . . . 13 ASN HA . 19985 1 128 . 1 1 13 13 ASN HB2 H 1 2.285 0.003 . 2 . . . . 13 ASN HB2 . 19985 1 129 . 1 1 13 13 ASN HB3 H 1 2.558 0.002 . 2 . . . . 13 ASN HB3 . 19985 1 130 . 1 1 13 13 ASN HD21 H 1 6.841 0.001 . 2 . . . . 13 ASN HD21 . 19985 1 131 . 1 1 13 13 ASN HD22 H 1 7.161 0.001 . 2 . . . . 13 ASN HD22 . 19985 1 132 . 1 1 13 13 ASN CA C 13 53.610 0.037 . 1 . . . . 13 ASN CA . 19985 1 133 . 1 1 13 13 ASN CB C 13 37.997 0.039 . 1 . . . . 13 ASN CB . 19985 1 134 . 1 1 13 13 ASN N N 15 126.962 0.000 . 1 . . . . 13 ASN N . 19985 1 135 . 1 1 13 13 ASN ND2 N 15 109.867 0.001 . 1 . . . . 13 ASN ND2 . 19985 1 136 . 1 1 14 14 VAL H H 1 8.552 0.007 . 1 . . . . 14 VAL HN . 19985 1 137 . 1 1 14 14 VAL HA H 1 4.230 0.003 . 1 . . . . 14 VAL HA . 19985 1 138 . 1 1 14 14 VAL HB H 1 2.170 0.007 . 1 . . . . 14 VAL HB . 19985 1 139 . 1 1 14 14 VAL HG11 H 1 1.587 0.005 . 1 . . . . 14 VAL HG1 . 19985 1 140 . 1 1 14 14 VAL HG12 H 1 1.587 0.005 . 1 . . . . 14 VAL HG1 . 19985 1 141 . 1 1 14 14 VAL HG13 H 1 1.587 0.005 . 1 . . . . 14 VAL HG1 . 19985 1 142 . 1 1 14 14 VAL HG21 H 1 -0.939 0.009 . 1 . . . . 14 VAL HG2 . 19985 1 143 . 1 1 14 14 VAL HG22 H 1 -0.939 0.009 . 1 . . . . 14 VAL HG2 . 19985 1 144 . 1 1 14 14 VAL HG23 H 1 -0.939 0.009 . 1 . . . . 14 VAL HG2 . 19985 1 145 . 1 1 14 14 VAL CA C 13 60.593 0.025 . 1 . . . . 14 VAL CA . 19985 1 146 . 1 1 14 14 VAL CB C 13 34.764 0.030 . 1 . . . . 14 VAL CB . 19985 1 147 . 1 1 14 14 VAL CG1 C 13 21.342 0.057 . 2 . . . . 14 VAL CG1 . 19985 1 148 . 1 1 14 14 VAL CG2 C 13 18.414 0.019 . 2 . . . . 14 VAL CG2 . 19985 1 149 . 1 1 14 14 VAL N N 15 122.449 0.000 . 1 . . . . 14 VAL N . 19985 1 150 . 1 1 15 15 THR H H 1 9.108 0.003 . 1 . . . . 15 THR HN . 19985 1 151 . 1 1 15 15 THR HA H 1 4.657 0.000 . 1 . . . . 15 THR HA . 19985 1 152 . 1 1 15 15 THR HB H 1 3.969 0.005 . 1 . . . . 15 THR HB . 19985 1 153 . 1 1 15 15 THR HG21 H 1 0.828 0.006 . 1 . . . . 15 THR HG2 . 19985 1 154 . 1 1 15 15 THR HG22 H 1 0.828 0.006 . 1 . . . . 15 THR HG2 . 19985 1 155 . 1 1 15 15 THR HG23 H 1 0.828 0.006 . 1 . . . . 15 THR HG2 . 19985 1 156 . 1 1 15 15 THR CA C 13 63.349 0.003 . 1 . . . . 15 THR CA . 19985 1 157 . 1 1 15 15 THR CB C 13 68.851 0.023 . 1 . . . . 15 THR CB . 19985 1 158 . 1 1 15 15 THR CG2 C 13 21.514 0.028 . 1 . . . . 15 THR CG . 19985 1 159 . 1 1 15 15 THR N N 15 125.026 0.000 . 1 . . . . 15 THR N . 19985 1 160 . 1 1 16 16 PHE H H 1 9.261 0.003 . 1 . . . . 16 PHE HN . 19985 1 161 . 1 1 16 16 PHE HA H 1 4.285 0.002 . 1 . . . . 16 PHE HA . 19985 1 162 . 1 1 16 16 PHE HB2 H 1 2.691 0.004 . 2 . . . . 16 PHE HB2 . 19985 1 163 . 1 1 16 16 PHE HB3 H 1 2.917 0.004 . 2 . . . . 16 PHE HB3 . 19985 1 164 . 1 1 16 16 PHE CA C 13 56.965 0.015 . 1 . . . . 16 PHE CA . 19985 1 165 . 1 1 16 16 PHE CB C 13 41.657 0.034 . 1 . . . . 16 PHE CB . 19985 1 166 . 1 1 16 16 PHE N N 15 128.984 0.000 . 1 . . . . 16 PHE N . 19985 1 167 . 1 1 17 17 ASP H H 1 7.078 0.002 . 1 . . . . 17 ASP HN . 19985 1 168 . 1 1 17 17 ASP HA H 1 3.724 0.002 . 1 . . . . 17 ASP HA . 19985 1 169 . 1 1 17 17 ASP HB2 H 1 1.647 0.003 . 2 . . . . 17 ASP HB2 . 19985 1 170 . 1 1 17 17 ASP HB3 H 1 1.827 0.004 . 2 . . . . 17 ASP HB3 . 19985 1 171 . 1 1 17 17 ASP CA C 13 50.545 0.036 . 1 . . . . 17 ASP CA . 19985 1 172 . 1 1 17 17 ASP CB C 13 41.754 0.036 . 1 . . . . 17 ASP CB . 19985 1 173 . 1 1 17 17 ASP N N 15 125.453 0.000 . 1 . . . . 17 ASP N . 19985 1 174 . 1 1 18 18 HIS H H 1 6.309 0.006 . 1 . . . . 18 HIS HN . 19985 1 175 . 1 1 18 18 HIS HA H 1 1.302 0.003 . 1 . . . . 18 HIS HA . 19985 1 176 . 1 1 18 18 HIS HB2 H 1 0.709 0.005 . 2 . . . . 18 HIS HB2 . 19985 1 177 . 1 1 18 18 HIS HB3 H 1 1.120 0.001 . 2 . . . . 18 HIS HB3 . 19985 1 178 . 1 1 18 18 HIS HD1 H 1 9.025 0.002 . 1 . . . . 18 HIS HD1 . 19985 1 179 . 1 1 18 18 HIS HD2 H 1 0.914 0.000 . 1 . . . . 18 HIS HD2 . 19985 1 180 . 1 1 18 18 HIS HE1 H 1 1.501 0.001 . 1 . . . . 18 HIS HE1 . 19985 1 181 . 1 1 18 18 HIS CA C 13 61.469 0.013 . 1 . . . . 18 HIS CA . 19985 1 182 . 1 1 18 18 HIS CB C 13 26.551 0.013 . 1 . . . . 18 HIS CB . 19985 1 183 . 1 1 18 18 HIS N N 15 125.236 0.000 . 1 . . . . 18 HIS N . 19985 1 184 . 1 1 18 18 HIS ND1 N 15 164.613 0.000 . 1 . . . . 18 HIS ND1 . 19985 1 185 . 1 1 19 19 LYS H H 1 7.590 0.009 . 1 . . . . 19 LYS HN . 19985 1 186 . 1 1 19 19 LYS HA H 1 3.358 0.008 . 1 . . . . 19 LYS HA . 19985 1 187 . 1 1 19 19 LYS HB2 H 1 1.221 0.005 . 2 . . . . 19 LYS HB2 . 19985 1 188 . 1 1 19 19 LYS HG2 H 1 0.855 0.003 . 2 . . . . 19 LYS HG2 . 19985 1 189 . 1 1 19 19 LYS HG3 H 1 0.939 0.006 . 2 . . . . 19 LYS HG3 . 19985 1 190 . 1 1 19 19 LYS HD2 H 1 1.301 0.002 . 2 . . . . 19 LYS HD2 . 19985 1 191 . 1 1 19 19 LYS HD3 H 1 1.330 0.003 . 2 . . . . 19 LYS HD3 . 19985 1 192 . 1 1 19 19 LYS HE2 H 1 2.636 0.002 . 2 . . . . 19 LYS HE2 . 19985 1 193 . 1 1 19 19 LYS CA C 13 58.788 0.031 . 1 . . . . 19 LYS CA . 19985 1 194 . 1 1 19 19 LYS CB C 13 30.249 0.049 . 1 . . . . 19 LYS CB . 19985 1 195 . 1 1 19 19 LYS CG C 13 23.974 0.008 . 1 . . . . 19 LYS CG . 19985 1 196 . 1 1 19 19 LYS CD C 13 28.163 0.008 . 1 . . . . 19 LYS CD . 19985 1 197 . 1 1 19 19 LYS CE C 13 40.481 0.043 . 1 . . . . 19 LYS CE . 19985 1 198 . 1 1 19 19 LYS N N 15 118.031 0.000 . 1 . . . . 19 LYS N . 19985 1 199 . 1 1 20 20 LYS H H 1 5.542 0.009 . 1 . . . . 20 LYS HN . 19985 1 200 . 1 1 20 20 LYS HA H 1 3.403 0.005 . 1 . . . . 20 LYS HA . 19985 1 201 . 1 1 20 20 LYS HB2 H 1 0.298 0.008 . 2 . . . . 20 LYS HB2 . 19985 1 202 . 1 1 20 20 LYS HB3 H 1 0.553 0.005 . 2 . . . . 20 LYS HB3 . 19985 1 203 . 1 1 20 20 LYS HG2 H 1 0.723 0.002 . 2 . . . . 20 LYS HG2 . 19985 1 204 . 1 1 20 20 LYS HG3 H 1 0.842 0.002 . 2 . . . . 20 LYS HG3 . 19985 1 205 . 1 1 20 20 LYS HD2 H 1 1.287 0.002 . 2 . . . . 20 LYS HD2 . 19985 1 206 . 1 1 20 20 LYS HD3 H 1 1.452 0.003 . 2 . . . . 20 LYS HD3 . 19985 1 207 . 1 1 20 20 LYS HE2 H 1 2.784 0.003 . 2 . . . . 20 LYS HE2 . 19985 1 208 . 1 1 20 20 LYS CA C 13 55.085 0.044 . 1 . . . . 20 LYS CA . 19985 1 209 . 1 1 20 20 LYS CB C 13 31.109 0.060 . 1 . . . . 20 LYS CB . 19985 1 210 . 1 1 20 20 LYS CG C 13 24.381 0.038 . 1 . . . . 20 LYS CG . 19985 1 211 . 1 1 20 20 LYS CD C 13 28.354 0.027 . 1 . . . . 20 LYS CD . 19985 1 212 . 1 1 20 20 LYS CE C 13 41.996 0.028 . 1 . . . . 20 LYS CE . 19985 1 213 . 1 1 20 20 LYS N N 15 114.738 0.000 . 1 . . . . 20 LYS N . 19985 1 214 . 1 1 21 21 HIS H H 1 5.868 0.009 . 1 . . . . 21 HIS HN . 19985 1 215 . 1 1 21 21 HIS HA H 1 2.907 0.003 . 1 . . . . 21 HIS HA . 19985 1 216 . 1 1 21 21 HIS HB2 H 1 0.486 0.009 . 2 . . . . 21 HIS HB2 . 19985 1 217 . 1 1 21 21 HIS HB3 H 1 2.161 0.003 . 2 . . . . 21 HIS HB3 . 19985 1 218 . 1 1 21 21 HIS HD1 H 1 6.669 0.005 . 1 . . . . 21 HIS HD1 . 19985 1 219 . 1 1 21 21 HIS HD2 H 1 0.983 0.002 . 1 . . . . 21 HIS HD2 . 19985 1 220 . 1 1 21 21 HIS HE1 H 1 1.164 0.001 . 1 . . . . 21 HIS HE1 . 19985 1 221 . 1 1 21 21 HIS CA C 13 56.379 0.023 . 1 . . . . 21 HIS CA . 19985 1 222 . 1 1 21 21 HIS CB C 13 27.550 0.048 . 1 . . . . 21 HIS CB . 19985 1 223 . 1 1 21 21 HIS N N 15 113.875 0.000 . 1 . . . . 21 HIS N . 19985 1 224 . 1 1 21 21 HIS ND1 N 15 162.422 0.000 . 1 . . . . 21 HIS ND1 . 19985 1 225 . 1 1 22 22 ALA H H 1 6.365 0.001 . 1 . . . . 22 ALA HN . 19985 1 226 . 1 1 22 22 ALA HA H 1 4.132 0.006 . 1 . . . . 22 ALA HA . 19985 1 227 . 1 1 22 22 ALA HB1 H 1 1.141 0.005 . 1 . . . . 22 ALA HB . 19985 1 228 . 1 1 22 22 ALA HB2 H 1 1.141 0.005 . 1 . . . . 22 ALA HB . 19985 1 229 . 1 1 22 22 ALA HB3 H 1 1.141 0.005 . 1 . . . . 22 ALA HB . 19985 1 230 . 1 1 22 22 ALA CA C 13 53.413 0.022 . 1 . . . . 22 ALA CA . 19985 1 231 . 1 1 22 22 ALA CB C 13 18.233 0.033 . 1 . . . . 22 ALA CB . 19985 1 232 . 1 1 22 22 ALA N N 15 122.800 0.000 . 1 . . . . 22 ALA N . 19985 1 233 . 1 1 23 23 GLY H H 1 9.304 0.021 . 1 . . . . 23 GLY HN . 19985 1 234 . 1 1 23 23 GLY HA2 H 1 3.845 0.009 . 2 . . . . 23 GLY HA1 . 19985 1 235 . 1 1 23 23 GLY HA3 H 1 4.171 0.002 . 2 . . . . 23 GLY HA2 . 19985 1 236 . 1 1 23 23 GLY CA C 13 45.510 0.010 . 1 . . . . 23 GLY CA . 19985 1 237 . 1 1 23 23 GLY N N 15 109.465 0.000 . 1 . . . . 23 GLY N . 19985 1 238 . 1 1 24 24 VAL H H 1 6.769 0.009 . 1 . . . . 24 VAL HN . 19985 1 239 . 1 1 24 24 VAL HA H 1 4.520 0.004 . 1 . . . . 24 VAL HA . 19985 1 240 . 1 1 24 24 VAL HB H 1 2.839 0.003 . 1 . . . . 24 VAL HB . 19985 1 241 . 1 1 24 24 VAL HG11 H 1 1.142 0.004 . 1 . . . . 24 VAL HG1 . 19985 1 242 . 1 1 24 24 VAL HG12 H 1 1.142 0.004 . 1 . . . . 24 VAL HG1 . 19985 1 243 . 1 1 24 24 VAL HG13 H 1 1.142 0.004 . 1 . . . . 24 VAL HG1 . 19985 1 244 . 1 1 24 24 VAL HG21 H 1 1.234 0.004 . 1 . . . . 24 VAL HG2 . 19985 1 245 . 1 1 24 24 VAL HG22 H 1 1.234 0.004 . 1 . . . . 24 VAL HG2 . 19985 1 246 . 1 1 24 24 VAL HG23 H 1 1.234 0.004 . 1 . . . . 24 VAL HG2 . 19985 1 247 . 1 1 24 24 VAL CA C 13 61.690 0.026 . 1 . . . . 24 VAL CA . 19985 1 248 . 1 1 24 24 VAL CB C 13 33.268 0.039 . 1 . . . . 24 VAL CB . 19985 1 249 . 1 1 24 24 VAL CG1 C 13 22.794 0.020 . 2 . . . . 24 VAL CG1 . 19985 1 250 . 1 1 24 24 VAL CG2 C 13 18.546 0.042 . 2 . . . . 24 VAL CG2 . 19985 1 251 . 1 1 24 24 VAL N N 15 112.471 0.000 . 1 . . . . 24 VAL N . 19985 1 252 . 1 1 25 25 LYS H H 1 8.992 0.005 . 1 . . . . 25 LYS HN . 19985 1 253 . 1 1 25 25 LYS HA H 1 4.195 0.004 . 1 . . . . 25 LYS HA . 19985 1 254 . 1 1 25 25 LYS HB2 H 1 2.012 0.006 . 2 . . . . 25 LYS HB2 . 19985 1 255 . 1 1 25 25 LYS HB3 H 1 2.041 0.011 . 2 . . . . 25 LYS HB3 . 19985 1 256 . 1 1 25 25 LYS HG2 H 1 1.494 0.004 . 2 . . . . 25 LYS HG2 . 19985 1 257 . 1 1 25 25 LYS HG3 H 1 1.642 0.003 . 2 . . . . 25 LYS HG3 . 19985 1 258 . 1 1 25 25 LYS HD2 H 1 1.829 0.003 . 2 . . . . 25 LYS HD2 . 19985 1 259 . 1 1 25 25 LYS HE2 H 1 3.071 0.003 . 2 . . . . 25 LYS HE2 . 19985 1 260 . 1 1 25 25 LYS CA C 13 58.763 0.036 . 1 . . . . 25 LYS CA . 19985 1 261 . 1 1 25 25 LYS CB C 13 32.002 0.054 . 1 . . . . 25 LYS CB . 19985 1 262 . 1 1 25 25 LYS CG C 13 24.841 0.049 . 1 . . . . 25 LYS CG . 19985 1 263 . 1 1 25 25 LYS CD C 13 29.499 0.021 . 1 . . . . 25 LYS CD . 19985 1 264 . 1 1 25 25 LYS CE C 13 42.143 0.030 . 1 . . . . 25 LYS CE . 19985 1 265 . 1 1 25 25 LYS N N 15 125.849 0.000 . 1 . . . . 25 LYS N . 19985 1 266 . 1 1 26 26 GLY H H 1 8.942 0.002 . 1 . . . . 26 GLY HN . 19985 1 267 . 1 1 26 26 GLY HA2 H 1 3.573 0.004 . 2 . . . . 26 GLY HA1 . 19985 1 268 . 1 1 26 26 GLY HA3 H 1 4.187 0.004 . 2 . . . . 26 GLY HA2 . 19985 1 269 . 1 1 26 26 GLY CA C 13 45.016 0.006 . 1 . . . . 26 GLY CA . 19985 1 270 . 1 1 26 26 GLY N N 15 115.242 0.000 . 1 . . . . 26 GLY N . 19985 1 271 . 1 1 27 27 GLU H H 1 8.984 0.008 . 1 . . . . 27 GLU HN . 19985 1 272 . 1 1 27 27 GLU HA H 1 4.036 0.012 . 1 . . . . 27 GLU HA . 19985 1 273 . 1 1 27 27 GLU HB2 H 1 2.497 0.013 . 2 . . . . 27 GLU HB2 . 19985 1 274 . 1 1 27 27 GLU HB3 H 1 2.705 0.011 . 2 . . . . 27 GLU HB3 . 19985 1 275 . 1 1 27 27 GLU HG2 H 1 2.636 0.002 . 2 . . . . 27 GLU HG2 . 19985 1 276 . 1 1 27 27 GLU HG3 H 1 2.677 0.003 . 2 . . . . 27 GLU HG3 . 19985 1 277 . 1 1 27 27 GLU CA C 13 57.889 0.020 . 1 . . . . 27 GLU CA . 19985 1 278 . 1 1 27 27 GLU CB C 13 28.410 0.019 . 1 . . . . 27 GLU CB . 19985 1 279 . 1 1 27 27 GLU CG C 13 37.311 0.013 . 1 . . . . 27 GLU CG . 19985 1 280 . 1 1 27 27 GLU N N 15 120.816 0.000 . 1 . . . . 27 GLU N . 19985 1 281 . 1 1 28 28 CYS H H 1 8.550 0.003 . 1 . . . . 28 CYS HN . 19985 1 282 . 1 1 28 28 CYS HA H 1 5.427 0.001 . 1 . . . . 28 CYS HA . 19985 1 283 . 1 1 28 28 CYS HB2 H 1 2.249 0.012 . 2 . . . . 28 CYS HB2 . 19985 1 284 . 1 1 28 28 CYS HB3 H 1 2.376 0.011 . 2 . . . . 28 CYS HB3 . 19985 1 285 . 1 1 28 28 CYS CA C 13 56.369 0.037 . 1 . . . . 28 CYS CA . 19985 1 286 . 1 1 28 28 CYS CB C 13 33.827 0.053 . 1 . . . . 28 CYS CB . 19985 1 287 . 1 1 28 28 CYS N N 15 118.193 0.000 . 1 . . . . 28 CYS N . 19985 1 288 . 1 1 29 29 LYS H H 1 7.571 0.001 . 1 . . . . 29 LYS HN . 19985 1 289 . 1 1 29 29 LYS HA H 1 4.236 0.003 . 1 . . . . 29 LYS HA . 19985 1 290 . 1 1 29 29 LYS HB2 H 1 1.596 0.002 . 2 . . . . 29 LYS HB2 . 19985 1 291 . 1 1 29 29 LYS HB3 H 1 1.835 0.003 . 2 . . . . 29 LYS HB3 . 19985 1 292 . 1 1 29 29 LYS HG2 H 1 0.749 0.001 . 2 . . . . 29 LYS HG2 . 19985 1 293 . 1 1 29 29 LYS HG3 H 1 1.183 0.005 . 2 . . . . 29 LYS HG3 . 19985 1 294 . 1 1 29 29 LYS HD2 H 1 1.494 0.002 . 2 . . . . 29 LYS HD2 . 19985 1 295 . 1 1 29 29 LYS HE2 H 1 2.827 0.003 . 2 . . . . 29 LYS HE2 . 19985 1 296 . 1 1 29 29 LYS HE3 H 1 2.862 0.004 . 2 . . . . 29 LYS HE3 . 19985 1 297 . 1 1 29 29 LYS CA C 13 56.680 0.043 . 1 . . . . 29 LYS CA . 19985 1 298 . 1 1 29 29 LYS CB C 13 30.538 0.052 . 1 . . . . 29 LYS CB . 19985 1 299 . 1 1 29 29 LYS CG C 13 25.345 0.052 . 1 . . . . 29 LYS CG . 19985 1 300 . 1 1 29 29 LYS CD C 13 28.781 0.031 . 1 . . . . 29 LYS CD . 19985 1 301 . 1 1 29 29 LYS CE C 13 41.287 0.013 . 1 . . . . 29 LYS CE . 19985 1 302 . 1 1 29 29 LYS N N 15 112.979 0.000 . 1 . . . . 29 LYS N . 19985 1 303 . 1 1 30 30 ALA H H 1 8.329 0.006 . 1 . . . . 30 ALA HN . 19985 1 304 . 1 1 30 30 ALA HA H 1 4.233 0.003 . 1 . . . . 30 ALA HA . 19985 1 305 . 1 1 30 30 ALA HB1 H 1 2.090 0.001 . 1 . . . . 30 ALA HB . 19985 1 306 . 1 1 30 30 ALA HB2 H 1 2.090 0.001 . 1 . . . . 30 ALA HB . 19985 1 307 . 1 1 30 30 ALA HB3 H 1 2.090 0.001 . 1 . . . . 30 ALA HB . 19985 1 308 . 1 1 30 30 ALA CA C 13 55.347 0.007 . 1 . . . . 30 ALA CA . 19985 1 309 . 1 1 30 30 ALA CB C 13 19.139 0.007 . 1 . . . . 30 ALA CB . 19985 1 310 . 1 1 30 30 ALA N N 15 123.252 0.000 . 1 . . . . 30 ALA N . 19985 1 311 . 1 1 31 31 CYS H H 1 6.384 0.001 . 1 . . . . 31 CYS HN . 19985 1 312 . 1 1 31 31 CYS HA H 1 4.478 0.002 . 1 . . . . 31 CYS HA . 19985 1 313 . 1 1 31 31 CYS HB2 H 1 0.868 0.004 . 2 . . . . 31 CYS HB2 . 19985 1 314 . 1 1 31 31 CYS HB3 H 1 2.335 0.002 . 2 . . . . 31 CYS HB3 . 19985 1 315 . 1 1 31 31 CYS CA C 13 54.651 0.032 . 1 . . . . 31 CYS CA . 19985 1 316 . 1 1 31 31 CYS CB C 13 39.330 0.038 . 1 . . . . 31 CYS CB . 19985 1 317 . 1 1 31 31 CYS N N 15 111.249 0.000 . 1 . . . . 31 CYS N . 19985 1 318 . 1 1 32 32 HIS H H 1 6.920 0.005 . 1 . . . . 32 HIS HN . 19985 1 319 . 1 1 32 32 HIS HA H 1 3.090 0.003 . 1 . . . . 32 HIS HA . 19985 1 320 . 1 1 32 32 HIS HB2 H 1 1.118 0.003 . 2 . . . . 32 HIS HB2 . 19985 1 321 . 1 1 32 32 HIS HB3 H 1 1.368 0.002 . 2 . . . . 32 HIS HB3 . 19985 1 322 . 1 1 32 32 HIS HD1 H 1 8.085 0.002 . 1 . . . . 32 HIS HD1 . 19985 1 323 . 1 1 32 32 HIS HD2 H 1 0.700 0.001 . 1 . . . . 32 HIS HD2 . 19985 1 324 . 1 1 32 32 HIS HE1 H 1 1.536 0.000 . 1 . . . . 32 HIS HE1 . 19985 1 325 . 1 1 32 32 HIS CA C 13 53.752 0.035 . 1 . . . . 32 HIS CA . 19985 1 326 . 1 1 32 32 HIS CB C 13 29.705 0.008 . 1 . . . . 32 HIS CB . 19985 1 327 . 1 1 32 32 HIS N N 15 114.847 0.000 . 1 . . . . 32 HIS N . 19985 1 328 . 1 1 32 32 HIS ND1 N 15 162.481 0.000 . 1 . . . . 32 HIS ND1 . 19985 1 329 . 1 1 33 33 GLU H H 1 7.523 0.002 . 1 . . . . 33 GLU HN . 19985 1 330 . 1 1 33 33 GLU HA H 1 3.674 0.003 . 1 . . . . 33 GLU HA . 19985 1 331 . 1 1 33 33 GLU HB2 H 1 1.635 0.001 . 2 . . . . 33 GLU HB2 . 19985 1 332 . 1 1 33 33 GLU HB3 H 1 1.688 0.004 . 2 . . . . 33 GLU HB3 . 19985 1 333 . 1 1 33 33 GLU HG2 H 1 1.983 0.009 . 2 . . . . 33 GLU HG2 . 19985 1 334 . 1 1 33 33 GLU HG3 H 1 2.020 0.002 . 2 . . . . 33 GLU HG3 . 19985 1 335 . 1 1 33 33 GLU CA C 13 58.299 0.022 . 1 . . . . 33 GLU CA . 19985 1 336 . 1 1 33 33 GLU CB C 13 30.035 0.049 . 1 . . . . 33 GLU CB . 19985 1 337 . 1 1 33 33 GLU CG C 13 36.390 0.024 . 1 . . . . 33 GLU CG . 19985 1 338 . 1 1 33 33 GLU N N 15 117.375 0.000 . 1 . . . . 33 GLU N . 19985 1 339 . 1 1 34 34 THR H H 1 7.005 0.004 . 1 . . . . 34 THR HN . 19985 1 340 . 1 1 34 34 THR HA H 1 4.339 0.004 . 1 . . . . 34 THR HA . 19985 1 341 . 1 1 34 34 THR HB H 1 4.134 0.007 . 1 . . . . 34 THR HB . 19985 1 342 . 1 1 34 34 THR HG21 H 1 0.842 0.005 . 1 . . . . 34 THR HG2 . 19985 1 343 . 1 1 34 34 THR HG22 H 1 0.842 0.005 . 1 . . . . 34 THR HG2 . 19985 1 344 . 1 1 34 34 THR HG23 H 1 0.842 0.005 . 1 . . . . 34 THR HG2 . 19985 1 345 . 1 1 34 34 THR CA C 13 58.593 0.051 . 1 . . . . 34 THR CA . 19985 1 346 . 1 1 34 34 THR CB C 13 72.622 0.044 . 1 . . . . 34 THR CB . 19985 1 347 . 1 1 34 34 THR CG2 C 13 20.785 0.059 . 1 . . . . 34 THR CG . 19985 1 348 . 1 1 34 34 THR N N 15 105.553 0.000 . 1 . . . . 34 THR N . 19985 1 349 . 1 1 35 35 GLU H H 1 8.954 0.007 . 1 . . . . 35 GLU HN . 19985 1 350 . 1 1 35 35 GLU HA H 1 3.565 0.009 . 1 . . . . 35 GLU HA . 19985 1 351 . 1 1 35 35 GLU HB2 H 1 1.953 0.006 . 2 . . . . 35 GLU HB2 . 19985 1 352 . 1 1 35 35 GLU HB3 H 1 2.015 0.002 . 2 . . . . 35 GLU HB3 . 19985 1 353 . 1 1 35 35 GLU HG2 H 1 2.195 0.004 . 2 . . . . 35 GLU HG2 . 19985 1 354 . 1 1 35 35 GLU HG3 H 1 2.262 0.010 . 2 . . . . 35 GLU HG3 . 19985 1 355 . 1 1 35 35 GLU CA C 13 58.002 0.011 . 1 . . . . 35 GLU CA . 19985 1 356 . 1 1 35 35 GLU CB C 13 28.600 0.012 . 1 . . . . 35 GLU CB . 19985 1 357 . 1 1 35 35 GLU CG C 13 36.322 0.006 . 1 . . . . 35 GLU CG . 19985 1 358 . 1 1 35 35 GLU N N 15 117.146 0.000 . 1 . . . . 35 GLU N . 19985 1 359 . 1 1 36 36 ALA H H 1 7.292 0.002 . 1 . . . . 36 ALA HN . 19985 1 360 . 1 1 36 36 ALA HA H 1 4.181 0.005 . 1 . . . . 36 ALA HA . 19985 1 361 . 1 1 36 36 ALA HB1 H 1 1.070 0.008 . 1 . . . . 36 ALA HB . 19985 1 362 . 1 1 36 36 ALA HB2 H 1 1.070 0.008 . 1 . . . . 36 ALA HB . 19985 1 363 . 1 1 36 36 ALA HB3 H 1 1.070 0.008 . 1 . . . . 36 ALA HB . 19985 1 364 . 1 1 36 36 ALA CA C 13 51.792 0.018 . 1 . . . . 36 ALA CA . 19985 1 365 . 1 1 36 36 ALA CB C 13 19.052 0.030 . 1 . . . . 36 ALA CB . 19985 1 366 . 1 1 36 36 ALA N N 15 117.895 0.000 . 1 . . . . 36 ALA N . 19985 1 367 . 1 1 37 37 GLY H H 1 6.274 0.010 . 1 . . . . 37 GLY HN . 19985 1 368 . 1 1 37 37 GLY HA2 H 1 -0.837 0.031 . 2 . . . . 37 GLY HA1 . 19985 1 369 . 1 1 37 37 GLY HA3 H 1 1.500 0.025 . 2 . . . . 37 GLY HA2 . 19985 1 370 . 1 1 37 37 GLY CA C 13 42.233 0.033 . 1 . . . . 37 GLY CA . 19985 1 371 . 1 1 37 37 GLY N N 15 104.054 0.000 . 1 . . . . 37 GLY N . 19985 1 372 . 1 1 38 38 GLY H H 1 3.770 0.007 . 1 . . . . 38 GLY HN . 19985 1 373 . 1 1 38 38 GLY HA2 H 1 3.314 0.004 . 2 . . . . 38 GLY HA1 . 19985 1 374 . 1 1 38 38 GLY HA3 H 1 3.886 0.008 . 2 . . . . 38 GLY HA2 . 19985 1 375 . 1 1 38 38 GLY CA C 13 43.144 0.006 . 1 . . . . 38 GLY CA . 19985 1 376 . 1 1 38 38 GLY N N 15 108.644 0.000 . 1 . . . . 38 GLY N . 19985 1 377 . 1 1 39 39 LYS H H 1 7.629 0.002 . 1 . . . . 39 LYS HN . 19985 1 378 . 1 1 39 39 LYS HA H 1 3.897 0.005 . 1 . . . . 39 LYS HA . 19985 1 379 . 1 1 39 39 LYS HB2 H 1 1.525 0.004 . 2 . . . . 39 LYS HB2 . 19985 1 380 . 1 1 39 39 LYS HG2 H 1 1.438 0.004 . 2 . . . . 39 LYS HG2 . 19985 1 381 . 1 1 39 39 LYS HG3 H 1 1.477 0.003 . 2 . . . . 39 LYS HG3 . 19985 1 382 . 1 1 39 39 LYS HD2 H 1 1.746 0.005 . 2 . . . . 39 LYS HD2 . 19985 1 383 . 1 1 39 39 LYS HE2 H 1 3.086 0.002 . 2 . . . . 39 LYS HE2 . 19985 1 384 . 1 1 39 39 LYS CA C 13 55.973 0.041 . 1 . . . . 39 LYS CA . 19985 1 385 . 1 1 39 39 LYS CB C 13 31.812 0.016 . 1 . . . . 39 LYS CB . 19985 1 386 . 1 1 39 39 LYS CG C 13 24.299 0.011 . 1 . . . . 39 LYS CG . 19985 1 387 . 1 1 39 39 LYS CD C 13 27.967 0.015 . 1 . . . . 39 LYS CD . 19985 1 388 . 1 1 39 39 LYS CE C 13 42.035 0.058 . 1 . . . . 39 LYS CE . 19985 1 389 . 1 1 39 39 LYS N N 15 114.784 0.000 . 1 . . . . 39 LYS N . 19985 1 390 . 1 1 40 40 ILE H H 1 9.680 0.008 . 1 . . . . 40 ILE HN . 19985 1 391 . 1 1 40 40 ILE HA H 1 3.404 0.003 . 1 . . . . 40 ILE HA . 19985 1 392 . 1 1 40 40 ILE HB H 1 0.943 0.009 . 1 . . . . 40 ILE HB . 19985 1 393 . 1 1 40 40 ILE HG12 H 1 -0.648 0.001 . 1 . . . . 40 ILE HG12 . 19985 1 394 . 1 1 40 40 ILE HG13 H 1 0.383 0.003 . 1 . . . . 40 ILE HG13 . 19985 1 395 . 1 1 40 40 ILE HG21 H 1 -0.434 0.006 . 1 . . . . 40 ILE HG2 . 19985 1 396 . 1 1 40 40 ILE HG22 H 1 -0.434 0.006 . 1 . . . . 40 ILE HG2 . 19985 1 397 . 1 1 40 40 ILE HG23 H 1 -0.434 0.006 . 1 . . . . 40 ILE HG2 . 19985 1 398 . 1 1 40 40 ILE HD11 H 1 -1.064 0.002 . 1 . . . . 40 ILE HD1 . 19985 1 399 . 1 1 40 40 ILE HD12 H 1 -1.064 0.002 . 1 . . . . 40 ILE HD1 . 19985 1 400 . 1 1 40 40 ILE HD13 H 1 -1.064 0.002 . 1 . . . . 40 ILE HD1 . 19985 1 401 . 1 1 40 40 ILE CA C 13 60.927 0.036 . 1 . . . . 40 ILE CA . 19985 1 402 . 1 1 40 40 ILE CB C 13 38.578 0.066 . 1 . . . . 40 ILE CB . 19985 1 403 . 1 1 40 40 ILE CG1 C 13 27.883 0.052 . 1 . . . . 40 ILE CG1 . 19985 1 404 . 1 1 40 40 ILE CG2 C 13 15.048 0.034 . 1 . . . . 40 ILE CG2 . 19985 1 405 . 1 1 40 40 ILE CD1 C 13 11.800 0.024 . 1 . . . . 40 ILE CD1 . 19985 1 406 . 1 1 40 40 ILE N N 15 129.365 0.000 . 1 . . . . 40 ILE N . 19985 1 407 . 1 1 41 41 ALA H H 1 8.426 0.005 . 1 . . . . 41 ALA HN . 19985 1 408 . 1 1 41 41 ALA HA H 1 3.830 0.005 . 1 . . . . 41 ALA HA . 19985 1 409 . 1 1 41 41 ALA HB1 H 1 1.128 0.001 . 1 . . . . 41 ALA HB . 19985 1 410 . 1 1 41 41 ALA HB2 H 1 1.128 0.001 . 1 . . . . 41 ALA HB . 19985 1 411 . 1 1 41 41 ALA HB3 H 1 1.128 0.001 . 1 . . . . 41 ALA HB . 19985 1 412 . 1 1 41 41 ALA CA C 13 53.980 0.029 . 1 . . . . 41 ALA CA . 19985 1 413 . 1 1 41 41 ALA CB C 13 17.817 0.045 . 1 . . . . 41 ALA CB . 19985 1 414 . 1 1 41 41 ALA N N 15 133.233 0.000 . 1 . . . . 41 ALA N . 19985 1 415 . 1 1 42 42 GLY H H 1 8.349 0.004 . 1 . . . . 42 GLY HN . 19985 1 416 . 1 1 42 42 GLY HA2 H 1 3.501 0.002 . 2 . . . . 42 GLY HA1 . 19985 1 417 . 1 1 42 42 GLY HA3 H 1 3.758 0.003 . 2 . . . . 42 GLY HA2 . 19985 1 418 . 1 1 42 42 GLY CA C 13 44.821 0.030 . 1 . . . . 42 GLY CA . 19985 1 419 . 1 1 42 42 GLY N N 15 107.063 0.000 . 1 . . . . 42 GLY N . 19985 1 420 . 1 1 43 43 MET H H 1 6.984 0.005 . 1 . . . . 43 MET HN . 19985 1 421 . 1 1 43 43 MET HA H 1 3.869 0.010 . 1 . . . . 43 MET HA . 19985 1 422 . 1 1 43 43 MET HB2 H 1 1.882 0.002 . 2 . . . . 43 MET HB2 . 19985 1 423 . 1 1 43 43 MET HB3 H 1 2.009 0.006 . 2 . . . . 43 MET HB3 . 19985 1 424 . 1 1 43 43 MET HG2 H 1 2.726 0.010 . 2 . . . . 43 MET HG2 . 19985 1 425 . 1 1 43 43 MET HG3 H 1 2.846 0.034 . 2 . . . . 43 MET HG3 . 19985 1 426 . 1 1 43 43 MET HE1 H 1 2.171 0.001 . 1 . . . . 43 MET HE . 19985 1 427 . 1 1 43 43 MET HE2 H 1 2.171 0.001 . 1 . . . . 43 MET HE . 19985 1 428 . 1 1 43 43 MET HE3 H 1 2.171 0.001 . 1 . . . . 43 MET HE . 19985 1 429 . 1 1 43 43 MET CA C 13 56.302 0.033 . 1 . . . . 43 MET CA . 19985 1 430 . 1 1 43 43 MET CB C 13 30.045 0.011 . 1 . . . . 43 MET CB . 19985 1 431 . 1 1 43 43 MET CG C 13 32.086 0.038 . 1 . . . . 43 MET CG . 19985 1 432 . 1 1 43 43 MET CE C 13 18.015 0.005 . 1 . . . . 43 MET CE . 19985 1 433 . 1 1 43 43 MET N N 15 118.113 0.000 . 1 . . . . 43 MET N . 19985 1 434 . 1 1 44 44 GLY H H 1 7.653 0.004 . 1 . . . . 44 GLY HN . 19985 1 435 . 1 1 44 44 GLY HA2 H 1 4.517 0.002 . 2 . . . . 44 GLY HA1 . 19985 1 436 . 1 1 44 44 GLY HA3 H 1 4.505 0.003 . 2 . . . . 44 GLY HA2 . 19985 1 437 . 1 1 44 44 GLY CA C 13 44.499 0.001 . 1 . . . . 44 GLY CA . 19985 1 438 . 1 1 44 44 GLY N N 15 113.989 0.000 . 1 . . . . 44 GLY N . 19985 1 439 . 1 1 45 45 LYS H H 1 8.998 0.009 . 1 . . . . 45 LYS HN . 19985 1 440 . 1 1 45 45 LYS HA H 1 2.562 0.002 . 1 . . . . 45 LYS HA . 19985 1 441 . 1 1 45 45 LYS HB2 H 1 1.333 0.004 . 2 . . . . 45 LYS HB2 . 19985 1 442 . 1 1 45 45 LYS HB3 H 1 1.748 0.009 . 2 . . . . 45 LYS HB3 . 19985 1 443 . 1 1 45 45 LYS HG2 H 1 -1.654 0.003 . 2 . . . . 45 LYS HG2 . 19985 1 444 . 1 1 45 45 LYS HG3 H 1 -0.821 0.004 . 2 . . . . 45 LYS HG3 . 19985 1 445 . 1 1 45 45 LYS HD2 H 1 1.103 0.003 . 2 . . . . 45 LYS HD2 . 19985 1 446 . 1 1 45 45 LYS HD3 H 1 1.144 0.010 . 2 . . . . 45 LYS HD3 . 19985 1 447 . 1 1 45 45 LYS HE2 H 1 2.176 0.005 . 2 . . . . 45 LYS HE2 . 19985 1 448 . 1 1 45 45 LYS HE3 H 1 2.307 0.002 . 2 . . . . 45 LYS HE3 . 19985 1 449 . 1 1 45 45 LYS CA C 13 59.450 0.044 . 1 . . . . 45 LYS CA . 19985 1 450 . 1 1 45 45 LYS CB C 13 33.285 0.036 . 1 . . . . 45 LYS CB . 19985 1 451 . 1 1 45 45 LYS CG C 13 22.519 0.026 . 1 . . . . 45 LYS CG . 19985 1 452 . 1 1 45 45 LYS CD C 13 29.319 0.043 . 1 . . . . 45 LYS CD . 19985 1 453 . 1 1 45 45 LYS CE C 13 41.748 0.059 . 1 . . . . 45 LYS CE . 19985 1 454 . 1 1 45 45 LYS N N 15 121.952 0.000 . 1 . . . . 45 LYS N . 19985 1 455 . 1 1 46 46 ASP H H 1 7.782 0.001 . 1 . . . . 46 ASP HN . 19985 1 456 . 1 1 46 46 ASP HA H 1 3.423 0.004 . 1 . . . . 46 ASP HA . 19985 1 457 . 1 1 46 46 ASP HB2 H 1 2.237 0.005 . 2 . . . . 46 ASP HB2 . 19985 1 458 . 1 1 46 46 ASP HB3 H 1 2.267 0.003 . 2 . . . . 46 ASP HB3 . 19985 1 459 . 1 1 46 46 ASP CA C 13 57.057 0.041 . 1 . . . . 46 ASP CA . 19985 1 460 . 1 1 46 46 ASP CB C 13 39.604 0.016 . 1 . . . . 46 ASP CB . 19985 1 461 . 1 1 46 46 ASP N N 15 115.518 0.000 . 1 . . . . 46 ASP N . 19985 1 462 . 1 1 47 47 TRP H H 1 8.256 0.010 . 1 . . . . 47 TRP HN . 19985 1 463 . 1 1 47 47 TRP HA H 1 3.677 0.005 . 1 . . . . 47 TRP HA . 19985 1 464 . 1 1 47 47 TRP HB2 H 1 3.169 0.003 . 2 . . . . 47 TRP HB2 . 19985 1 465 . 1 1 47 47 TRP HB3 H 1 3.185 0.002 . 2 . . . . 47 TRP HB3 . 19985 1 466 . 1 1 47 47 TRP HD1 H 1 7.011 0.002 . 1 . . . . 47 TRP HD1 . 19985 1 467 . 1 1 47 47 TRP HE1 H 1 9.874 0.001 . 1 . . . . 47 TRP HE1 . 19985 1 468 . 1 1 47 47 TRP HE3 H 1 7.542 0.001 . 1 . . . . 47 TRP HE3 . 19985 1 469 . 1 1 47 47 TRP HZ2 H 1 7.555 0.002 . 1 . . . . 47 TRP HZ2 . 19985 1 470 . 1 1 47 47 TRP HZ3 H 1 7.544 0.002 . 1 . . . . 47 TRP HZ3 . 19985 1 471 . 1 1 47 47 TRP HH2 H 1 7.399 0.002 . 1 . . . . 47 TRP HH2 . 19985 1 472 . 1 1 47 47 TRP CA C 13 61.948 0.026 . 1 . . . . 47 TRP CA . 19985 1 473 . 1 1 47 47 TRP CB C 13 30.949 0.031 . 1 . . . . 47 TRP CB . 19985 1 474 . 1 1 47 47 TRP N N 15 120.819 0.000 . 1 . . . . 47 TRP N . 19985 1 475 . 1 1 47 47 TRP NE1 N 15 129.578 0.000 . 1 . . . . 47 TRP NE1 . 19985 1 476 . 1 1 48 48 ALA H H 1 8.634 0.009 . 1 . . . . 48 ALA HN . 19985 1 477 . 1 1 48 48 ALA HA H 1 4.373 0.008 . 1 . . . . 48 ALA HA . 19985 1 478 . 1 1 48 48 ALA HB1 H 1 1.421 0.001 . 1 . . . . 48 ALA HB . 19985 1 479 . 1 1 48 48 ALA HB2 H 1 1.421 0.001 . 1 . . . . 48 ALA HB . 19985 1 480 . 1 1 48 48 ALA HB3 H 1 1.421 0.001 . 1 . . . . 48 ALA HB . 19985 1 481 . 1 1 48 48 ALA CA C 13 55.098 0.007 . 1 . . . . 48 ALA CA . 19985 1 482 . 1 1 48 48 ALA CB C 13 19.379 0.001 . 1 . . . . 48 ALA CB . 19985 1 483 . 1 1 48 48 ALA N N 15 122.734 0.000 . 1 . . . . 48 ALA N . 19985 1 484 . 1 1 49 49 HIS H H 1 7.388 0.002 . 1 . . . . 49 HIS HN . 19985 1 485 . 1 1 49 49 HIS HA H 1 2.788 0.002 . 1 . . . . 49 HIS HA . 19985 1 486 . 1 1 49 49 HIS HB2 H 1 1.336 0.002 . 2 . . . . 49 HIS HB2 . 19985 1 487 . 1 1 49 49 HIS HB3 H 1 1.465 0.007 . 2 . . . . 49 HIS HB3 . 19985 1 488 . 1 1 49 49 HIS HD1 H 1 9.387 0.002 . 1 . . . . 49 HIS HD1 . 19985 1 489 . 1 1 49 49 HIS HD2 H 1 0.693 0.001 . 1 . . . . 49 HIS HD2 . 19985 1 490 . 1 1 49 49 HIS HE1 H 1 1.156 0.003 . 1 . . . . 49 HIS HE1 . 19985 1 491 . 1 1 49 49 HIS CA C 13 54.830 0.036 . 1 . . . . 49 HIS CA . 19985 1 492 . 1 1 49 49 HIS CB C 13 26.166 0.007 . 1 . . . . 49 HIS CB . 19985 1 493 . 1 1 49 49 HIS N N 15 116.114 0.000 . 1 . . . . 49 HIS N . 19985 1 494 . 1 1 49 49 HIS ND1 N 15 164.578 0.000 . 1 . . . . 49 HIS ND1 . 19985 1 495 . 1 1 50 50 LYS H H 1 6.685 0.004 . 1 . . . . 50 LYS HN . 19985 1 496 . 1 1 50 50 LYS HA H 1 3.575 0.004 . 1 . . . . 50 LYS HA . 19985 1 497 . 1 1 50 50 LYS HB2 H 1 1.369 0.005 . 2 . . . . 50 LYS HB2 . 19985 1 498 . 1 1 50 50 LYS HG2 H 1 0.879 0.004 . 2 . . . . 50 LYS HG2 . 19985 1 499 . 1 1 50 50 LYS HG3 H 1 1.010 0.003 . 2 . . . . 50 LYS HG3 . 19985 1 500 . 1 1 50 50 LYS HD2 H 1 1.250 0.003 . 2 . . . . 50 LYS HD2 . 19985 1 501 . 1 1 50 50 LYS HD3 H 1 1.312 0.002 . 2 . . . . 50 LYS HD3 . 19985 1 502 . 1 1 50 50 LYS HE2 H 1 2.616 0.000 . 2 . . . . 50 LYS HE2 . 19985 1 503 . 1 1 50 50 LYS CA C 13 58.511 0.019 . 1 . . . . 50 LYS CA . 19985 1 504 . 1 1 50 50 LYS CB C 13 32.636 0.051 . 1 . . . . 50 LYS CB . 19985 1 505 . 1 1 50 50 LYS CG C 13 24.306 0.020 . 1 . . . . 50 LYS CG . 19985 1 506 . 1 1 50 50 LYS CD C 13 28.846 0.022 . 1 . . . . 50 LYS CD . 19985 1 507 . 1 1 50 50 LYS CE C 13 41.815 0.018 . 1 . . . . 50 LYS CE . 19985 1 508 . 1 1 50 50 LYS N N 15 117.701 0.000 . 1 . . . . 50 LYS N . 19985 1 509 . 1 1 51 51 THR H H 1 7.993 0.005 . 1 . . . . 51 THR HN . 19985 1 510 . 1 1 51 51 THR HA H 1 3.545 0.003 . 1 . . . . 51 THR HA . 19985 1 511 . 1 1 51 51 THR HB H 1 3.120 0.005 . 1 . . . . 51 THR HB . 19985 1 512 . 1 1 51 51 THR HG21 H 1 1.249 0.002 . 1 . . . . 51 THR HG2 . 19985 1 513 . 1 1 51 51 THR HG22 H 1 1.249 0.002 . 1 . . . . 51 THR HG2 . 19985 1 514 . 1 1 51 51 THR HG23 H 1 1.249 0.002 . 1 . . . . 51 THR HG2 . 19985 1 515 . 1 1 51 51 THR CA C 13 66.495 0.037 . 1 . . . . 51 THR CA . 19985 1 516 . 1 1 51 51 THR CB C 13 69.562 0.050 . 1 . . . . 51 THR CB . 19985 1 517 . 1 1 51 51 THR CG2 C 13 21.319 0.028 . 1 . . . . 51 THR CG . 19985 1 518 . 1 1 51 51 THR N N 15 116.141 0.000 . 1 . . . . 51 THR N . 19985 1 519 . 1 1 52 52 CYS H H 1 8.435 0.004 . 1 . . . . 52 CYS HN . 19985 1 520 . 1 1 52 52 CYS HA H 1 4.250 0.005 . 1 . . . . 52 CYS HA . 19985 1 521 . 1 1 52 52 CYS HB2 H 1 2.241 0.004 . 2 . . . . 52 CYS HB2 . 19985 1 522 . 1 1 52 52 CYS HB3 H 1 2.913 0.005 . 2 . . . . 52 CYS HB3 . 19985 1 523 . 1 1 52 52 CYS CA C 13 58.434 0.017 . 1 . . . . 52 CYS CA . 19985 1 524 . 1 1 52 52 CYS CB C 13 35.211 0.017 . 1 . . . . 52 CYS CB . 19985 1 525 . 1 1 52 52 CYS N N 15 121.683 0.000 . 1 . . . . 52 CYS N . 19985 1 526 . 1 1 53 53 THR H H 1 6.220 0.002 . 1 . . . . 53 THR HN . 19985 1 527 . 1 1 53 53 THR HA H 1 2.424 0.002 . 1 . . . . 53 THR HA . 19985 1 528 . 1 1 53 53 THR HB H 1 3.516 0.002 . 1 . . . . 53 THR HB . 19985 1 529 . 1 1 53 53 THR HG21 H 1 0.684 0.007 . 1 . . . . 53 THR HG2 . 19985 1 530 . 1 1 53 53 THR HG22 H 1 0.684 0.007 . 1 . . . . 53 THR HG2 . 19985 1 531 . 1 1 53 53 THR HG23 H 1 0.684 0.007 . 1 . . . . 53 THR HG2 . 19985 1 532 . 1 1 53 53 THR CA C 13 64.655 0.008 . 1 . . . . 53 THR CA . 19985 1 533 . 1 1 53 53 THR CB C 13 66.186 0.038 . 1 . . . . 53 THR CB . 19985 1 534 . 1 1 53 53 THR CG2 C 13 23.398 0.010 . 1 . . . . 53 THR CG . 19985 1 535 . 1 1 53 53 THR N N 15 107.825 0.000 . 1 . . . . 53 THR N . 19985 1 536 . 1 1 54 54 GLY H H 1 6.072 0.003 . 1 . . . . 54 GLY HN . 19985 1 537 . 1 1 54 54 GLY HA2 H 1 3.234 0.001 . 2 . . . . 54 GLY HA1 . 19985 1 538 . 1 1 54 54 GLY HA3 H 1 3.630 0.004 . 2 . . . . 54 GLY HA2 . 19985 1 539 . 1 1 54 54 GLY CA C 13 46.852 0.002 . 1 . . . . 54 GLY CA . 19985 1 540 . 1 1 54 54 GLY N N 15 103.435 0.000 . 1 . . . . 54 GLY N . 19985 1 541 . 1 1 55 55 CYS H H 1 6.666 0.001 . 1 . . . . 55 CYS HN . 19985 1 542 . 1 1 55 55 CYS HA H 1 4.295 0.003 . 1 . . . . 55 CYS HA . 19985 1 543 . 1 1 55 55 CYS HB2 H 1 2.323 0.001 . 2 . . . . 55 CYS HB2 . 19985 1 544 . 1 1 55 55 CYS HB3 H 1 3.611 0.005 . 2 . . . . 55 CYS HB3 . 19985 1 545 . 1 1 55 55 CYS CA C 13 58.012 0.043 . 1 . . . . 55 CYS CA . 19985 1 546 . 1 1 55 55 CYS CB C 13 28.956 0.016 . 1 . . . . 55 CYS CB . 19985 1 547 . 1 1 55 55 CYS N N 15 121.360 0.000 . 1 . . . . 55 CYS N . 19985 1 548 . 1 1 56 56 HIS H H 1 5.942 0.002 . 1 . . . . 56 HIS HN . 19985 1 549 . 1 1 56 56 HIS HA H 1 3.600 0.002 . 1 . . . . 56 HIS HA . 19985 1 550 . 1 1 56 56 HIS HB2 H 1 1.260 0.003 . 2 . . . . 56 HIS HB2 . 19985 1 551 . 1 1 56 56 HIS HD1 H 1 9.362 0.001 . 1 . . . . 56 HIS HD1 . 19985 1 552 . 1 1 56 56 HIS HD2 H 1 0.943 0.003 . 1 . . . . 56 HIS HD2 . 19985 1 553 . 1 1 56 56 HIS HE1 H 1 1.420 0.001 . 1 . . . . 56 HIS HE1 . 19985 1 554 . 1 1 56 56 HIS CA C 13 55.383 0.043 . 1 . . . . 56 HIS CA . 19985 1 555 . 1 1 56 56 HIS CB C 13 27.674 0.034 . 1 . . . . 56 HIS CB . 19985 1 556 . 1 1 56 56 HIS N N 15 116.965 0.000 . 1 . . . . 56 HIS N . 19985 1 557 . 1 1 56 56 HIS ND1 N 15 164.673 0.000 . 1 . . . . 56 HIS ND1 . 19985 1 558 . 1 1 57 57 LYS H H 1 7.905 0.003 . 1 . . . . 57 LYS HN . 19985 1 559 . 1 1 57 57 LYS HA H 1 3.535 0.003 . 1 . . . . 57 LYS HA . 19985 1 560 . 1 1 57 57 LYS HB2 H 1 1.471 0.002 . 2 . . . . 57 LYS HB2 . 19985 1 561 . 1 1 57 57 LYS HB3 H 1 1.528 0.004 . 2 . . . . 57 LYS HB3 . 19985 1 562 . 1 1 57 57 LYS HG2 H 1 1.092 0.006 . 2 . . . . 57 LYS HG2 . 19985 1 563 . 1 1 57 57 LYS HG3 H 1 1.198 0.003 . 2 . . . . 57 LYS HG3 . 19985 1 564 . 1 1 57 57 LYS HD2 H 1 1.326 0.003 . 2 . . . . 57 LYS HD2 . 19985 1 565 . 1 1 57 57 LYS HE2 H 1 2.607 0.006 . 2 . . . . 57 LYS HE2 . 19985 1 566 . 1 1 57 57 LYS CA C 13 59.268 0.039 . 1 . . . . 57 LYS CA . 19985 1 567 . 1 1 57 57 LYS CB C 13 32.070 0.027 . 1 . . . . 57 LYS CB . 19985 1 568 . 1 1 57 57 LYS CG C 13 25.694 0.011 . 1 . . . . 57 LYS CG . 19985 1 569 . 1 1 57 57 LYS CD C 13 29.070 0.029 . 1 . . . . 57 LYS CD . 19985 1 570 . 1 1 57 57 LYS CE C 13 41.662 0.014 . 1 . . . . 57 LYS CE . 19985 1 571 . 1 1 57 57 LYS N N 15 117.676 0.000 . 1 . . . . 57 LYS N . 19985 1 572 . 1 1 58 58 GLU H H 1 7.453 0.001 . 1 . . . . 58 GLU HN . 19985 1 573 . 1 1 58 58 GLU HA H 1 3.876 0.003 . 1 . . . . 58 GLU HA . 19985 1 574 . 1 1 58 58 GLU HB2 H 1 2.055 0.004 . 2 . . . . 58 GLU HB2 . 19985 1 575 . 1 1 58 58 GLU HB3 H 1 2.069 0.001 . 2 . . . . 58 GLU HB3 . 19985 1 576 . 1 1 58 58 GLU HG2 H 1 2.201 0.002 . 2 . . . . 58 GLU HG2 . 19985 1 577 . 1 1 58 58 GLU HG3 H 1 2.247 0.007 . 2 . . . . 58 GLU HG3 . 19985 1 578 . 1 1 58 58 GLU CA C 13 59.185 0.032 . 1 . . . . 58 GLU CA . 19985 1 579 . 1 1 58 58 GLU CB C 13 29.690 0.058 . 1 . . . . 58 GLU CB . 19985 1 580 . 1 1 58 58 GLU CG C 13 36.078 0.004 . 1 . . . . 58 GLU CG . 19985 1 581 . 1 1 58 58 GLU N N 15 120.436 0.000 . 1 . . . . 58 GLU N . 19985 1 582 . 1 1 59 59 MET H H 1 8.741 0.002 . 1 . . . . 59 MET HN . 19985 1 583 . 1 1 59 59 MET HA H 1 4.417 0.005 . 1 . . . . 59 MET HA . 19985 1 584 . 1 1 59 59 MET HB2 H 1 2.967 0.005 . 2 . . . . 59 MET HB2 . 19985 1 585 . 1 1 59 59 MET HB3 H 1 3.350 0.008 . 2 . . . . 59 MET HB3 . 19985 1 586 . 1 1 59 59 MET HG2 H 1 2.269 0.004 . 2 . . . . 59 MET HG2 . 19985 1 587 . 1 1 59 59 MET HE1 H 1 2.494 0.004 . 1 . . . . 59 MET HE . 19985 1 588 . 1 1 59 59 MET HE2 H 1 2.494 0.004 . 1 . . . . 59 MET HE . 19985 1 589 . 1 1 59 59 MET HE3 H 1 2.494 0.004 . 1 . . . . 59 MET HE . 19985 1 590 . 1 1 59 59 MET CA C 13 56.299 0.012 . 1 . . . . 59 MET CA . 19985 1 591 . 1 1 59 59 MET CB C 13 33.875 0.013 . 1 . . . . 59 MET CB . 19985 1 592 . 1 1 59 59 MET CG C 13 32.192 0.036 . 1 . . . . 59 MET CG . 19985 1 593 . 1 1 59 59 MET CE C 13 17.304 0.001 . 1 . . . . 59 MET CE . 19985 1 594 . 1 1 59 59 MET N N 15 114.243 0.000 . 1 . . . . 59 MET N . 19985 1 595 . 1 1 60 60 GLY H H 1 7.670 0.003 . 1 . . . . 60 GLY HN . 19985 1 596 . 1 1 60 60 GLY HA2 H 1 3.569 0.005 . 2 . . . . 60 GLY HA1 . 19985 1 597 . 1 1 60 60 GLY HA3 H 1 3.891 0.006 . 2 . . . . 60 GLY HA2 . 19985 1 598 . 1 1 60 60 GLY CA C 13 45.969 0.003 . 1 . . . . 60 GLY CA . 19985 1 599 . 1 1 60 60 GLY N N 15 107.946 0.000 . 1 . . . . 60 GLY N . 19985 1 600 . 1 1 61 61 LYS H H 1 7.340 0.003 . 1 . . . . 61 LYS HN . 19985 1 601 . 1 1 61 61 LYS HA H 1 4.262 0.003 . 1 . . . . 61 LYS HA . 19985 1 602 . 1 1 61 61 LYS HB2 H 1 1.621 0.005 . 2 . . . . 61 LYS HB2 . 19985 1 603 . 1 1 61 61 LYS HB3 H 1 2.022 0.003 . 2 . . . . 61 LYS HB3 . 19985 1 604 . 1 1 61 61 LYS HG2 H 1 1.477 0.002 . 2 . . . . 61 LYS HG2 . 19985 1 605 . 1 1 61 61 LYS HG3 H 1 1.520 0.001 . 2 . . . . 61 LYS HG3 . 19985 1 606 . 1 1 61 61 LYS HD2 H 1 1.926 0.005 . 2 . . . . 61 LYS HD2 . 19985 1 607 . 1 1 61 61 LYS HE2 H 1 3.156 0.002 . 2 . . . . 61 LYS HE2 . 19985 1 608 . 1 1 61 61 LYS CA C 13 54.979 0.030 . 1 . . . . 61 LYS CA . 19985 1 609 . 1 1 61 61 LYS CB C 13 37.152 0.061 . 1 . . . . 61 LYS CB . 19985 1 610 . 1 1 61 61 LYS CG C 13 24.723 0.036 . 1 . . . . 61 LYS CG . 19985 1 611 . 1 1 61 61 LYS CD C 13 29.701 0.032 . 1 . . . . 61 LYS CD . 19985 1 612 . 1 1 61 61 LYS CE C 13 42.449 0.023 . 1 . . . . 61 LYS CE . 19985 1 613 . 1 1 61 61 LYS N N 15 118.813 0.000 . 1 . . . . 61 LYS N . 19985 1 614 . 1 1 62 62 GLY H H 1 7.434 0.002 . 1 . . . . 62 GLY HN . 19985 1 615 . 1 1 62 62 GLY HA2 H 1 1.161 0.007 . 2 . . . . 62 GLY HA1 . 19985 1 616 . 1 1 62 62 GLY HA3 H 1 2.519 0.004 . 2 . . . . 62 GLY HA2 . 19985 1 617 . 1 1 62 62 GLY CA C 13 42.120 0.007 . 1 . . . . 62 GLY CA . 19985 1 618 . 1 1 62 62 GLY N N 15 104.046 0.000 . 1 . . . . 62 GLY N . 19985 1 619 . 1 1 63 63 PRO HA H 1 3.872 0.004 . 1 . . . . 63 PRO HA . 19985 1 620 . 1 1 63 63 PRO HB2 H 1 1.854 0.002 . 2 . . . . 63 PRO HB2 . 19985 1 621 . 1 1 63 63 PRO HB3 H 1 1.891 0.003 . 2 . . . . 63 PRO HB3 . 19985 1 622 . 1 1 63 63 PRO HG2 H 1 0.959 0.007 . 2 . . . . 63 PRO HG2 . 19985 1 623 . 1 1 63 63 PRO HG3 H 1 1.784 0.001 . 2 . . . . 63 PRO HG3 . 19985 1 624 . 1 1 63 63 PRO HD2 H 1 -0.701 0.004 . 2 . . . . 63 PRO HD2 . 19985 1 625 . 1 1 63 63 PRO HD3 H 1 2.432 0.002 . 2 . . . . 63 PRO HD3 . 19985 1 626 . 1 1 63 63 PRO CA C 13 62.708 0.011 . 1 . . . . 63 PRO CA . 19985 1 627 . 1 1 63 63 PRO CB C 13 34.127 0.025 . 1 . . . . 63 PRO CB . 19985 1 628 . 1 1 63 63 PRO CG C 13 28.915 0.008 . 1 . . . . 63 PRO CG . 19985 1 629 . 1 1 63 63 PRO CD C 13 48.392 0.067 . 1 . . . . 63 PRO CD . 19985 1 630 . 1 1 64 64 THR H H 1 8.174 0.002 . 1 . . . . 64 THR HN . 19985 1 631 . 1 1 64 64 THR HA H 1 4.333 0.003 . 1 . . . . 64 THR HA . 19985 1 632 . 1 1 64 64 THR HB H 1 3.988 0.004 . 1 . . . . 64 THR HB . 19985 1 633 . 1 1 64 64 THR HG21 H 1 0.564 0.002 . 1 . . . . 64 THR HG2 . 19985 1 634 . 1 1 64 64 THR HG22 H 1 0.564 0.002 . 1 . . . . 64 THR HG2 . 19985 1 635 . 1 1 64 64 THR HG23 H 1 0.564 0.002 . 1 . . . . 64 THR HG2 . 19985 1 636 . 1 1 64 64 THR CA C 13 61.512 0.039 . 1 . . . . 64 THR CA . 19985 1 637 . 1 1 64 64 THR CB C 13 70.650 0.013 . 1 . . . . 64 THR CB . 19985 1 638 . 1 1 64 64 THR CG2 C 13 21.647 0.022 . 1 . . . . 64 THR CG . 19985 1 639 . 1 1 64 64 THR N N 15 108.442 0.000 . 1 . . . . 64 THR N . 19985 1 640 . 1 1 65 65 LYS H H 1 8.344 0.002 . 1 . . . . 65 LYS HN . 19985 1 641 . 1 1 65 65 LYS HA H 1 5.016 0.002 . 1 . . . . 65 LYS HA . 19985 1 642 . 1 1 65 65 LYS HB2 H 1 1.593 0.007 . 2 . . . . 65 LYS HB2 . 19985 1 643 . 1 1 65 65 LYS HB3 H 1 1.999 0.006 . 2 . . . . 65 LYS HB3 . 19985 1 644 . 1 1 65 65 LYS HG2 H 1 1.412 0.004 . 2 . . . . 65 LYS HG2 . 19985 1 645 . 1 1 65 65 LYS HG3 H 1 1.471 0.003 . 2 . . . . 65 LYS HG3 . 19985 1 646 . 1 1 65 65 LYS HD2 H 1 1.632 0.002 . 2 . . . . 65 LYS HD2 . 19985 1 647 . 1 1 65 65 LYS HE2 H 1 2.898 0.002 . 2 . . . . 65 LYS HE2 . 19985 1 648 . 1 1 65 65 LYS CA C 13 55.663 0.051 . 1 . . . . 65 LYS CA . 19985 1 649 . 1 1 65 65 LYS CB C 13 33.508 0.030 . 1 . . . . 65 LYS CB . 19985 1 650 . 1 1 65 65 LYS CG C 13 25.121 0.031 . 1 . . . . 65 LYS CG . 19985 1 651 . 1 1 65 65 LYS CD C 13 28.963 0.057 . 1 . . . . 65 LYS CD . 19985 1 652 . 1 1 65 65 LYS CE C 13 42.056 0.053 . 1 . . . . 65 LYS CE . 19985 1 653 . 1 1 65 65 LYS N N 15 124.737 0.000 . 1 . . . . 65 LYS N . 19985 1 654 . 1 1 66 66 CYS H H 1 8.646 0.003 . 1 . . . . 66 CYS HN . 19985 1 655 . 1 1 66 66 CYS HA H 1 4.814 0.000 . 1 . . . . 66 CYS HA . 19985 1 656 . 1 1 66 66 CYS HB2 H 1 2.611 0.009 . 2 . . . . 66 CYS HB2 . 19985 1 657 . 1 1 66 66 CYS HB3 H 1 2.719 0.004 . 2 . . . . 66 CYS HB3 . 19985 1 658 . 1 1 66 66 CYS CA C 13 57.889 0.015 . 1 . . . . 66 CYS CA . 19985 1 659 . 1 1 66 66 CYS CB C 13 33.398 0.006 . 1 . . . . 66 CYS CB . 19985 1 660 . 1 1 66 66 CYS N N 15 118.138 0.000 . 1 . . . . 66 CYS N . 19985 1 661 . 1 1 67 67 GLY H H 1 8.736 0.002 . 1 . . . . 67 GLY HN . 19985 1 662 . 1 1 67 67 GLY HA2 H 1 3.411 0.005 . 2 . . . . 67 GLY HA1 . 19985 1 663 . 1 1 67 67 GLY HA3 H 1 3.865 0.007 . 2 . . . . 67 GLY HA2 . 19985 1 664 . 1 1 67 67 GLY CA C 13 45.231 0.032 . 1 . . . . 67 GLY CA . 19985 1 665 . 1 1 67 67 GLY N N 15 102.053 0.000 . 1 . . . . 67 GLY N . 19985 1 666 . 1 1 68 68 GLU H H 1 7.609 0.002 . 1 . . . . 68 GLU HN . 19985 1 667 . 1 1 68 68 GLU HA H 1 4.048 0.009 . 1 . . . . 68 GLU HA . 19985 1 668 . 1 1 68 68 GLU HB2 H 1 2.006 0.002 . 2 . . . . 68 GLU HB2 . 19985 1 669 . 1 1 68 68 GLU HB3 H 1 2.277 0.003 . 2 . . . . 68 GLU HB3 . 19985 1 670 . 1 1 68 68 GLU HG2 H 1 2.115 0.002 . 2 . . . . 68 GLU HG2 . 19985 1 671 . 1 1 68 68 GLU HG3 H 1 2.205 0.004 . 2 . . . . 68 GLU HG3 . 19985 1 672 . 1 1 68 68 GLU CA C 13 57.073 0.020 . 1 . . . . 68 GLU CA . 19985 1 673 . 1 1 68 68 GLU CB C 13 30.651 0.017 . 1 . . . . 68 GLU CB . 19985 1 674 . 1 1 68 68 GLU CG C 13 37.723 0.049 . 1 . . . . 68 GLU CG . 19985 1 675 . 1 1 68 68 GLU N N 15 116.473 0.000 . 1 . . . . 68 GLU N . 19985 1 676 . 1 1 69 69 CYS H H 1 6.346 0.002 . 1 . . . . 69 CYS HN . 19985 1 677 . 1 1 69 69 CYS HA H 1 4.569 0.002 . 1 . . . . 69 CYS HA . 19985 1 678 . 1 1 69 69 CYS HB2 H 1 1.363 0.007 . 2 . . . . 69 CYS HB2 . 19985 1 679 . 1 1 69 69 CYS HB3 H 1 2.001 0.001 . 2 . . . . 69 CYS HB3 . 19985 1 680 . 1 1 69 69 CYS CA C 13 56.749 0.045 . 1 . . . . 69 CYS CA . 19985 1 681 . 1 1 69 69 CYS CB C 13 36.420 0.023 . 1 . . . . 69 CYS CB . 19985 1 682 . 1 1 69 69 CYS N N 15 114.381 0.000 . 1 . . . . 69 CYS N . 19985 1 683 . 1 1 70 70 HIS H H 1 6.778 0.003 . 1 . . . . 70 HIS HN . 19985 1 684 . 1 1 70 70 HIS HA H 1 2.525 0.003 . 1 . . . . 70 HIS HA . 19985 1 685 . 1 1 70 70 HIS HB2 H 1 0.887 0.002 . 2 . . . . 70 HIS HB2 . 19985 1 686 . 1 1 70 70 HIS HB3 H 1 1.114 0.002 . 2 . . . . 70 HIS HB3 . 19985 1 687 . 1 1 70 70 HIS HD1 H 1 8.773 0.001 . 1 . . . . 70 HIS HD1 . 19985 1 688 . 1 1 70 70 HIS HD2 H 1 0.604 0.001 . 1 . . . . 70 HIS HD2 . 19985 1 689 . 1 1 70 70 HIS HE1 H 1 0.742 0.001 . 1 . . . . 70 HIS HE1 . 19985 1 690 . 1 1 70 70 HIS CA C 13 54.710 0.053 . 1 . . . . 70 HIS CA . 19985 1 691 . 1 1 70 70 HIS CB C 13 25.679 0.061 . 1 . . . . 70 HIS CB . 19985 1 692 . 1 1 70 70 HIS N N 15 117.427 0.000 . 1 . . . . 70 HIS N . 19985 1 693 . 1 1 70 70 HIS ND1 N 15 165.910 0.000 . 1 . . . . 70 HIS ND1 . 19985 1 694 . 1 1 71 71 LYS H H 1 7.150 0.008 . 1 . . . . 71 LYS HN . 19985 1 695 . 1 1 71 71 LYS HA H 1 4.164 0.002 . 1 . . . . 71 LYS HA . 19985 1 696 . 1 1 71 71 LYS HB2 H 1 1.511 0.004 . 2 . . . . 71 LYS HB2 . 19985 1 697 . 1 1 71 71 LYS HG2 H 1 1.065 0.009 . 2 . . . . 71 LYS HG2 . 19985 1 698 . 1 1 71 71 LYS HD2 H 1 1.422 0.006 . 2 . . . . 71 LYS HD2 . 19985 1 699 . 1 1 71 71 LYS HE2 H 1 2.790 0.001 . 2 . . . . 71 LYS HE2 . 19985 1 700 . 1 1 71 71 LYS HE3 H 1 2.832 0.002 . 2 . . . . 71 LYS HE3 . 19985 1 701 . 1 1 71 71 LYS CA C 13 54.658 0.044 . 1 . . . . 71 LYS CA . 19985 1 702 . 1 1 71 71 LYS CB C 13 33.051 0.036 . 1 . . . . 71 LYS CB . 19985 1 703 . 1 1 71 71 LYS CG C 13 24.232 0.005 . 1 . . . . 71 LYS CG . 19985 1 704 . 1 1 71 71 LYS CD C 13 28.685 0.015 . 1 . . . . 71 LYS CD . 19985 1 705 . 1 1 71 71 LYS CE C 13 42.414 0.007 . 1 . . . . 71 LYS CE . 19985 1 706 . 1 1 71 71 LYS N N 15 124.624 0.000 . 1 . . . . 71 LYS N . 19985 1 707 . 1 1 72 72 LYS H H 1 7.743 0.002 . 1 . . . . 72 LYS HN . 19985 1 708 . 1 1 72 72 LYS HA H 1 3.781 0.003 . 1 . . . . 72 LYS HA . 19985 1 709 . 1 1 72 72 LYS HB2 H 1 1.391 0.005 . 2 . . . . 72 LYS HB2 . 19985 1 710 . 1 1 72 72 LYS HB3 H 1 1.507 0.004 . 2 . . . . 72 LYS HB3 . 19985 1 711 . 1 1 72 72 LYS HG2 H 1 1.084 0.002 . 2 . . . . 72 LYS HG2 . 19985 1 712 . 1 1 72 72 LYS HD2 H 1 1.353 0.008 . 2 . . . . 72 LYS HD2 . 19985 1 713 . 1 1 72 72 LYS HE2 H 1 2.698 0.003 . 2 . . . . 72 LYS HE2 . 19985 1 714 . 1 1 72 72 LYS CA C 13 57.798 0.022 . 1 . . . . 72 LYS CA . 19985 1 715 . 1 1 72 72 LYS CB C 13 33.249 0.004 . 1 . . . . 72 LYS CB . 19985 1 716 . 1 1 72 72 LYS CG C 13 24.708 0.005 . 1 . . . . 72 LYS CG . 19985 1 717 . 1 1 72 72 LYS CD C 13 28.949 0.005 . 1 . . . . 72 LYS CD . 19985 1 718 . 1 1 72 72 LYS CE C 13 42.047 0.014 . 1 . . . . 72 LYS CE . 19985 1 719 . 1 1 72 72 LYS N N 15 128.457 0.000 . 1 . . . . 72 LYS N . 19985 1 720 . 2 2 1 1 HEM HAA H 1 3.900 0.003 . 2 . . . . 131 HEM HAA . 19985 1 721 . 2 2 1 1 HEM HAAA H 1 4.143 0.004 . 2 . . . . 131 HEM HAAA . 19985 1 722 . 2 2 1 1 HEM HAB H 1 6.007 0.003 . 1 . . . . 131 HEM HAB . 19985 1 723 . 2 2 1 1 HEM HAC H 1 5.333 0.002 . 1 . . . . 131 HEM HAC . 19985 1 724 . 2 2 1 1 HEM HAD H 1 2.424 0.002 . 2 . . . . 131 HEM HAD . 19985 1 725 . 2 2 1 1 HEM HADA H 1 3.680 0.002 . 2 . . . . 131 HEM HADA . 19985 1 726 . 2 2 1 1 HEM HBA H 1 2.844 0.001 . 2 . . . . 131 HEM HBA . 19985 1 727 . 2 2 1 1 HEM HBAA H 1 3.071 0.001 . 2 . . . . 131 HEM HBAA . 19985 1 728 . 2 2 1 1 HEM HBB H 1 2.184 0.001 . 1 . . . . 131 HEM HBB . 19985 1 729 . 2 2 1 1 HEM HBBA H 1 2.184 0.001 . 1 . . . . 131 HEM HBBA . 19985 1 730 . 2 2 1 1 HEM HBBB H 1 2.184 0.001 . 1 . . . . 131 HEM HBBB . 19985 1 731 . 2 2 1 1 HEM HBC H 1 1.468 0.004 . 1 . . . . 131 HEM HBC . 19985 1 732 . 2 2 1 1 HEM HBCA H 1 1.468 0.004 . 1 . . . . 131 HEM HBCA . 19985 1 733 . 2 2 1 1 HEM HBCB H 1 1.468 0.004 . 1 . . . . 131 HEM HBCB . 19985 1 734 . 2 2 1 1 HEM HBD H 1 3.192 0.005 . 2 . . . . 131 HEM HBD . 19985 1 735 . 2 2 1 1 HEM HBDA H 1 4.473 0.002 . 2 . . . . 131 HEM HBDA . 19985 1 736 . 2 2 1 1 HEM HHA H 1 9.448 0.000 . 1 . . . . 131 HEM HHA . 19985 1 737 . 2 2 1 1 HEM HHB H 1 8.718 0.000 . 1 . . . . 131 HEM HHB . 19985 1 738 . 2 2 1 1 HEM HHC H 1 9.672 0.001 . 1 . . . . 131 HEM HHC . 19985 1 739 . 2 2 1 1 HEM HHD H 1 7.938 0.001 . 1 . . . . 131 HEM HHD . 19985 1 740 . 2 2 1 1 HEM HMA H 1 3.085 0.001 . 1 . . . . 131 HEM HMA . 19985 1 741 . 2 2 1 1 HEM HMAA H 1 3.085 0.001 . 1 . . . . 131 HEM HMAA . 19985 1 742 . 2 2 1 1 HEM HMAB H 1 3.085 0.001 . 1 . . . . 131 HEM HMAB . 19985 1 743 . 2 2 1 1 HEM HMB H 1 3.167 0.000 . 1 . . . . 131 HEM HMB . 19985 1 744 . 2 2 1 1 HEM HMBA H 1 3.167 0.000 . 1 . . . . 131 HEM HMBA . 19985 1 745 . 2 2 1 1 HEM HMBB H 1 3.167 0.000 . 1 . . . . 131 HEM HMBB . 19985 1 746 . 2 2 1 1 HEM HMC H 1 3.366 0.001 . 1 . . . . 131 HEM HMC . 19985 1 747 . 2 2 1 1 HEM HMCA H 1 3.366 0.001 . 1 . . . . 131 HEM HMCA . 19985 1 748 . 2 2 1 1 HEM HMCB H 1 3.366 0.001 . 1 . . . . 131 HEM HMCB . 19985 1 749 . 2 2 1 1 HEM HMD H 1 2.741 0.001 . 1 . . . . 131 HEM HMD . 19985 1 750 . 2 2 1 1 HEM HMDA H 1 2.741 0.001 . 1 . . . . 131 HEM HMDA . 19985 1 751 . 2 2 1 1 HEM HMDB H 1 2.741 0.001 . 1 . . . . 131 HEM HMDB . 19985 1 752 . 3 2 1 1 HEM HAA H 1 3.095 0.006 . 2 . . . . 155 HEM HAA . 19985 1 753 . 3 2 1 1 HEM HAAA H 1 4.193 0.004 . 2 . . . . 155 HEM HAAA . 19985 1 754 . 3 2 1 1 HEM HAB H 1 6.491 0.002 . 1 . . . . 155 HEM HAB . 19985 1 755 . 3 2 1 1 HEM HAC H 1 6.451 0.002 . 1 . . . . 155 HEM HAC . 19985 1 756 . 3 2 1 1 HEM HAD H 1 2.904 0.003 . 2 . . . . 155 HEM HAD . 19985 1 757 . 3 2 1 1 HEM HADA H 1 4.060 0.005 . 2 . . . . 155 HEM HADA . 19985 1 758 . 3 2 1 1 HEM HBA H 1 3.853 0.005 . 2 . . . . 155 HEM HBA . 19985 1 759 . 3 2 1 1 HEM HBB H 1 2.681 0.001 . 1 . . . . 155 HEM HBB . 19985 1 760 . 3 2 1 1 HEM HBBA H 1 2.681 0.001 . 1 . . . . 155 HEM HBBA . 19985 1 761 . 3 2 1 1 HEM HBBB H 1 2.681 0.001 . 1 . . . . 155 HEM HBBB . 19985 1 762 . 3 2 1 1 HEM HBC H 1 2.804 0.002 . 1 . . . . 155 HEM HBC . 19985 1 763 . 3 2 1 1 HEM HBCA H 1 2.804 0.002 . 1 . . . . 155 HEM HBCA . 19985 1 764 . 3 2 1 1 HEM HBCB H 1 2.804 0.002 . 1 . . . . 155 HEM HBCB . 19985 1 765 . 3 2 1 1 HEM HBD H 1 2.777 0.002 . 2 . . . . 155 HEM HBD . 19985 1 766 . 3 2 1 1 HEM HBDA H 1 3.552 0.003 . 2 . . . . 155 HEM HBDA . 19985 1 767 . 3 2 1 1 HEM HHA H 1 9.209 0.002 . 1 . . . . 155 HEM HHA . 19985 1 768 . 3 2 1 1 HEM HHB H 1 9.954 0.000 . 1 . . . . 155 HEM HHB . 19985 1 769 . 3 2 1 1 HEM HHC H 1 9.544 0.002 . 1 . . . . 155 HEM HHC . 19985 1 770 . 3 2 1 1 HEM HHD H 1 9.692 0.003 . 1 . . . . 155 HEM HHD . 19985 1 771 . 3 2 1 1 HEM HMA H 1 3.713 0.000 . 1 . . . . 155 HEM HMA . 19985 1 772 . 3 2 1 1 HEM HMAA H 1 3.713 0.000 . 1 . . . . 155 HEM HMAA . 19985 1 773 . 3 2 1 1 HEM HMAB H 1 3.713 0.000 . 1 . . . . 155 HEM HMAB . 19985 1 774 . 3 2 1 1 HEM HMB H 1 4.358 0.001 . 1 . . . . 155 HEM HMB . 19985 1 775 . 3 2 1 1 HEM HMBA H 1 4.358 0.001 . 1 . . . . 155 HEM HMBA . 19985 1 776 . 3 2 1 1 HEM HMBB H 1 4.358 0.001 . 1 . . . . 155 HEM HMBB . 19985 1 777 . 3 2 1 1 HEM HMC H 1 3.759 0.001 . 1 . . . . 155 HEM HMC . 19985 1 778 . 3 2 1 1 HEM HMCA H 1 3.759 0.001 . 1 . . . . 155 HEM HMCA . 19985 1 779 . 3 2 1 1 HEM HMCB H 1 3.759 0.001 . 1 . . . . 155 HEM HMCB . 19985 1 780 . 3 2 1 1 HEM HMD H 1 3.337 0.003 . 1 . . . . 155 HEM HMD . 19985 1 781 . 3 2 1 1 HEM HMDA H 1 3.337 0.003 . 1 . . . . 155 HEM HMDA . 19985 1 782 . 3 2 1 1 HEM HMDB H 1 3.337 0.003 . 1 . . . . 155 HEM HMDB . 19985 1 783 . 4 2 1 1 HEM HAA H 1 2.965 0.000 . 2 . . . . 169 HEM HAA . 19985 1 784 . 4 2 1 1 HEM HAAA H 1 3.888 0.004 . 2 . . . . 169 HEM HAAA . 19985 1 785 . 4 2 1 1 HEM HAB H 1 5.822 0.001 . 1 . . . . 169 HEM HAB . 19985 1 786 . 4 2 1 1 HEM HAC H 1 6.115 0.002 . 1 . . . . 169 HEM HAC . 19985 1 787 . 4 2 1 1 HEM HAD H 1 3.008 0.002 . 2 . . . . 169 HEM HAD . 19985 1 788 . 4 2 1 1 HEM HADA H 1 3.555 0.002 . 2 . . . . 169 HEM HADA . 19985 1 789 . 4 2 1 1 HEM HBA H 1 3.250 0.005 . 2 . . . . 169 HEM HBA . 19985 1 790 . 4 2 1 1 HEM HBAA H 1 4.395 0.001 . 2 . . . . 169 HEM HBAA . 19985 1 791 . 4 2 1 1 HEM HBB H 1 1.935 0.001 . 1 . . . . 169 HEM HBB . 19985 1 792 . 4 2 1 1 HEM HBBA H 1 1.935 0.001 . 1 . . . . 169 HEM HBBA . 19985 1 793 . 4 2 1 1 HEM HBBB H 1 1.935 0.001 . 1 . . . . 169 HEM HBBB . 19985 1 794 . 4 2 1 1 HEM HBC H 1 1.339 0.000 . 1 . . . . 169 HEM HBC . 19985 1 795 . 4 2 1 1 HEM HBCA H 1 1.339 0.000 . 1 . . . . 169 HEM HBCA . 19985 1 796 . 4 2 1 1 HEM HBCB H 1 1.339 0.000 . 1 . . . . 169 HEM HBCB . 19985 1 797 . 4 2 1 1 HEM HBD H 1 2.563 0.002 . 2 . . . . 169 HEM HBD . 19985 1 798 . 4 2 1 1 HEM HBDA H 1 4.160 0.000 . 2 . . . . 169 HEM HBDA . 19985 1 799 . 4 2 1 1 HEM HHA H 1 9.387 0.001 . 1 . . . . 169 HEM HHA . 19985 1 800 . 4 2 1 1 HEM HHB H 1 9.311 0.000 . 1 . . . . 169 HEM HHB . 19985 1 801 . 4 2 1 1 HEM HHC H 1 8.919 0.001 . 1 . . . . 169 HEM HHC . 19985 1 802 . 4 2 1 1 HEM HHD H 1 9.238 0.001 . 1 . . . . 169 HEM HHD . 19985 1 803 . 4 2 1 1 HEM HMA H 1 3.230 0.000 . 1 . . . . 169 HEM HMA . 19985 1 804 . 4 2 1 1 HEM HMAA H 1 3.230 0.000 . 1 . . . . 169 HEM HMAA . 19985 1 805 . 4 2 1 1 HEM HMAB H 1 3.230 0.000 . 1 . . . . 169 HEM HMAB . 19985 1 806 . 4 2 1 1 HEM HMB H 1 3.517 0.000 . 1 . . . . 169 HEM HMB . 19985 1 807 . 4 2 1 1 HEM HMBA H 1 3.517 0.000 . 1 . . . . 169 HEM HMBA . 19985 1 808 . 4 2 1 1 HEM HMBB H 1 3.517 0.000 . 1 . . . . 169 HEM HMBB . 19985 1 809 . 4 2 1 1 HEM HMC H 1 2.816 0.002 . 1 . . . . 169 HEM HMC . 19985 1 810 . 4 2 1 1 HEM HMCA H 1 2.816 0.002 . 1 . . . . 169 HEM HMCA . 19985 1 811 . 4 2 1 1 HEM HMCB H 1 2.816 0.002 . 1 . . . . 169 HEM HMCB . 19985 1 812 . 4 2 1 1 HEM HMD H 1 3.749 0.003 . 1 . . . . 169 HEM HMD . 19985 1 813 . 4 2 1 1 HEM HMDA H 1 3.749 0.003 . 1 . . . . 169 HEM HMDA . 19985 1 814 . 4 2 1 1 HEM HMDB H 1 3.749 0.003 . 1 . . . . 169 HEM HMDB . 19985 1 stop_ save_