################################### # 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 16674 _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' . . . 16674 1 2 '2D 1H-1H NOESY' . . . 16674 1 3 '2D 1H-1H TOCSY' . . . 16674 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 HB1 H 1 1.321 0.003 . 1 . . . . . 1 ALA QB . 16674 1 2 . 1 1 1 1 ALA HB2 H 1 1.321 0.003 . 1 . . . . . 1 ALA QB . 16674 1 3 . 1 1 1 1 ALA HB3 H 1 1.321 0.003 . 1 . . . . . 1 ALA QB . 16674 1 4 . 1 1 2 2 PRO HA H 1 4.591 0.002 . 1 . . . . . 2 PRO HA . 16674 1 5 . 1 1 2 2 PRO HB2 H 1 2.369 0.004 . 2 . . . . . 2 PRO HB2 . 16674 1 6 . 1 1 2 2 PRO HB3 H 1 2.292 0.004 . 2 . . . . . 2 PRO HB3 . 16674 1 7 . 1 1 3 3 ALA H H 1 8.150 0.003 . 1 . . . . . 3 ALA HN . 16674 1 8 . 1 1 3 3 ALA HA H 1 4.244 0.003 . 1 . . . . . 3 ALA HA . 16674 1 9 . 1 1 3 3 ALA HB1 H 1 1.280 0.002 . 1 . . . . . 3 ALA QB . 16674 1 10 . 1 1 3 3 ALA HB2 H 1 1.280 0.002 . 1 . . . . . 3 ALA QB . 16674 1 11 . 1 1 3 3 ALA HB3 H 1 1.280 0.002 . 1 . . . . . 3 ALA QB . 16674 1 12 . 1 1 4 4 VAL H H 1 7.957 0.005 . 1 . . . . . 4 VAL HN . 16674 1 13 . 1 1 4 4 VAL HA H 1 3.608 0.003 . 1 . . . . . 4 VAL HA . 16674 1 14 . 1 1 4 4 VAL HB H 1 1.356 0.005 . 1 . . . . . 4 VAL HB . 16674 1 15 . 1 1 4 4 VAL HG11 H 1 -0.011 0.005 . 1 . . . . . 4 VAL QG1 . 16674 1 16 . 1 1 4 4 VAL HG12 H 1 -0.011 0.005 . 1 . . . . . 4 VAL QG1 . 16674 1 17 . 1 1 4 4 VAL HG13 H 1 -0.011 0.005 . 1 . . . . . 4 VAL QG1 . 16674 1 18 . 1 1 4 4 VAL HG21 H 1 -0.817 0.003 . 1 . . . . . 4 VAL QG2 . 16674 1 19 . 1 1 4 4 VAL HG22 H 1 -0.817 0.003 . 1 . . . . . 4 VAL QG2 . 16674 1 20 . 1 1 4 4 VAL HG23 H 1 -0.817 0.003 . 1 . . . . . 4 VAL QG2 . 16674 1 21 . 1 1 5 5 PRO HA H 1 3.720 0.002 . 1 . . . . . 5 PRO HA . 16674 1 22 . 1 1 5 5 PRO HB2 H 1 1.796 0.004 . 2 . . . . . 5 PRO HB2 . 16674 1 23 . 1 1 5 5 PRO HB3 H 1 0.430 0.004 . 2 . . . . . 5 PRO HB3 . 16674 1 24 . 1 1 5 5 PRO HD2 H 1 -1.307 0.005 . 2 . . . . . 5 PRO HD2 . 16674 1 25 . 1 1 5 5 PRO HD3 H 1 2.370 0.006 . 2 . . . . . 5 PRO HD3 . 16674 1 26 . 1 1 5 5 PRO HG2 H 1 1.299 0.005 . 2 . . . . . 5 PRO HG2 . 16674 1 27 . 1 1 5 5 PRO HG3 H 1 0.023 0.006 . 2 . . . . . 5 PRO HG3 . 16674 1 28 . 1 1 6 6 ASP H H 1 7.890 0.004 . 1 . . . . . 6 ASP HN . 16674 1 29 . 1 1 6 6 ASP HA H 1 3.947 0.002 . 1 . . . . . 6 ASP HA . 16674 1 30 . 1 1 6 6 ASP HB2 H 1 2.580 0.005 . 1 . . . . . 6 ASP HB2 . 16674 1 31 . 1 1 6 6 ASP HB3 H 1 2.321 0.005 . 1 . . . . . 6 ASP HB3 . 16674 1 32 . 1 1 7 7 LYS H H 1 7.156 0.004 . 1 . . . . . 7 LYS HN . 16674 1 33 . 1 1 7 7 LYS HA H 1 4.472 0.001 . 1 . . . . . 7 LYS HA . 16674 1 34 . 1 1 7 7 LYS HB2 H 1 1.670 0.002 . 2 . . . . . 7 LYS HB2 . 16674 1 35 . 1 1 7 7 LYS HB3 H 1 1.222 0.002 . 2 . . . . . 7 LYS HB3 . 16674 1 36 . 1 1 8 8 PRO HA H 1 4.042 0.003 . 1 . . . . . 8 PRO HA . 16674 1 37 . 1 1 8 8 PRO HB2 H 1 2.250 0.002 . 2 . . . . . 8 PRO HB2 . 16674 1 38 . 1 1 8 8 PRO HD2 H 1 3.583 0.005 . 2 . . . . . 8 PRO HD2 . 16674 1 39 . 1 1 8 8 PRO HD3 H 1 3.341 0.002 . 2 . . . . . 8 PRO HD3 . 16674 1 40 . 1 1 9 9 VAL H H 1 8.328 0.011 . 1 . . . . . 9 VAL HN . 16674 1 41 . 1 1 9 9 VAL HA H 1 4.602 0.005 . 1 . . . . . 9 VAL HA . 16674 1 42 . 1 1 9 9 VAL HB H 1 2.487 0.005 . 1 . . . . . 9 VAL HB . 16674 1 43 . 1 1 9 9 VAL HG11 H 1 1.206 0.004 . 1 . . . . . 9 VAL QG1 . 16674 1 44 . 1 1 9 9 VAL HG12 H 1 1.206 0.004 . 1 . . . . . 9 VAL QG1 . 16674 1 45 . 1 1 9 9 VAL HG13 H 1 1.206 0.004 . 1 . . . . . 9 VAL QG1 . 16674 1 46 . 1 1 9 9 VAL HG21 H 1 1.112 0.005 . 1 . . . . . 9 VAL QG2 . 16674 1 47 . 1 1 9 9 VAL HG22 H 1 1.112 0.005 . 1 . . . . . 9 VAL QG2 . 16674 1 48 . 1 1 9 9 VAL HG23 H 1 1.112 0.005 . 1 . . . . . 9 VAL QG2 . 16674 1 49 . 1 1 10 10 GLU H H 1 8.886 0.007 . 1 . . . . . 10 GLU HN . 16674 1 50 . 1 1 10 10 GLU HA H 1 4.607 0.008 . 1 . . . . . 10 GLU HA . 16674 1 51 . 1 1 10 10 GLU HB2 H 1 1.990 0.010 . 2 . . . . . 10 GLU HB2 . 16674 1 52 . 1 1 10 10 GLU HB3 H 1 2.157 0.001 . 2 . . . . . 10 GLU HB3 . 16674 1 53 . 1 1 10 10 GLU HG2 H 1 2.375 0.003 . 2 . . . . . 10 GLU HG2 . 16674 1 54 . 1 1 11 11 VAL H H 1 10.022 0.007 . 1 . . . . . 11 VAL HN . 16674 1 55 . 1 1 11 11 VAL HB H 1 3.236 0.006 . 1 . . . . . 11 VAL HB . 16674 1 56 . 1 1 11 11 VAL HG11 H 1 1.633 0.004 . 1 . . . . . 11 VAL QG1 . 16674 1 57 . 1 1 11 11 VAL HG12 H 1 1.633 0.004 . 1 . . . . . 11 VAL QG1 . 16674 1 58 . 1 1 11 11 VAL HG13 H 1 1.633 0.004 . 1 . . . . . 11 VAL QG1 . 16674 1 59 . 1 1 11 11 VAL HG21 H 1 1.822 0.003 . 1 . . . . . 11 VAL QG2 . 16674 1 60 . 1 1 11 11 VAL HG22 H 1 1.822 0.003 . 1 . . . . . 11 VAL QG2 . 16674 1 61 . 1 1 11 11 VAL HG23 H 1 1.822 0.003 . 1 . . . . . 11 VAL QG2 . 16674 1 62 . 1 1 12 12 LYS H H 1 8.647 0.005 . 1 . . . . . 12 LYS HN . 16674 1 63 . 1 1 12 12 LYS HA H 1 5.242 0.004 . 1 . . . . . 12 LYS HA . 16674 1 64 . 1 1 12 12 LYS HB2 H 1 2.116 0.002 . 2 . . . . . 12 LYS HB2 . 16674 1 65 . 1 1 12 12 LYS HB3 H 1 1.951 0.001 . 2 . . . . . 12 LYS HB3 . 16674 1 66 . 1 1 13 13 GLY H H 1 8.814 0.006 . 1 . . . . . 13 GLY HN . 16674 1 67 . 1 1 13 13 GLY HA2 H 1 5.006 0.003 . 1 . . . . . 13 GLY HA1 . 16674 1 68 . 1 1 13 13 GLY HA3 H 1 4.747 0.009 . 1 . . . . . 13 GLY HA2 . 16674 1 69 . 1 1 14 14 SER H H 1 10.437 0.003 . 1 . . . . . 14 SER HN . 16674 1 70 . 1 1 14 14 SER HA H 1 4.438 0.004 . 1 . . . . . 14 SER HA . 16674 1 71 . 1 1 14 14 SER HB2 H 1 4.029 0.006 . 2 . . . . . 14 SER HB2 . 16674 1 72 . 1 1 15 15 GLN H H 1 11.413 0.003 . 1 . . . . . 15 GLN HN . 16674 1 73 . 1 1 15 15 GLN HA H 1 4.733 0.006 . 1 . . . . . 15 GLN HA . 16674 1 74 . 1 1 15 15 GLN HB2 H 1 2.316 0.003 . 2 . . . . . 15 GLN HB2 . 16674 1 75 . 1 1 15 15 GLN HB3 H 1 2.236 0.001 . 2 . . . . . 15 GLN HB3 . 16674 1 76 . 1 1 15 15 GLN HE21 H 1 6.895 0.003 . 2 . . . . . 15 GLN HE21 . 16674 1 77 . 1 1 15 15 GLN HE22 H 1 7.638 0.002 . 2 . . . . . 15 GLN HE22 . 16674 1 78 . 1 1 15 15 GLN HG2 H 1 2.586 0.005 . 2 . . . . . 15 GLN HG2 . 16674 1 79 . 1 1 15 15 GLN HG3 H 1 2.434 0.002 . 2 . . . . . 15 GLN HG3 . 16674 1 80 . 1 1 16 16 LYS H H 1 9.091 0.003 . 1 . . . . . 16 LYS HN . 16674 1 81 . 1 1 16 16 LYS HA H 1 4.836 0.005 . 1 . . . . . 16 LYS HA . 16674 1 82 . 1 1 16 16 LYS HB2 H 1 2.315 0.002 . 2 . . . . . 16 LYS HB2 . 16674 1 83 . 1 1 16 16 LYS HB3 H 1 1.649 0.005 . 2 . . . . . 16 LYS HB3 . 16674 1 84 . 1 1 16 16 LYS HD2 H 1 2.237 0.001 . 2 . . . . . 16 LYS HD2 . 16674 1 85 . 1 1 16 16 LYS HG2 H 1 1.413 0.010 . 2 . . . . . 16 LYS HG2 . 16674 1 86 . 1 1 17 17 THR H H 1 8.178 0.007 . 1 . . . . . 17 THR HN . 16674 1 87 . 1 1 17 17 THR HA H 1 5.326 0.005 . 1 . . . . . 17 THR HA . 16674 1 88 . 1 1 17 17 THR HB H 1 3.984 0.005 . 1 . . . . . 17 THR HB . 16674 1 89 . 1 1 17 17 THR HG21 H 1 1.194 0.005 . 1 . . . . . 17 THR QG2 . 16674 1 90 . 1 1 17 17 THR HG22 H 1 1.194 0.005 . 1 . . . . . 17 THR QG2 . 16674 1 91 . 1 1 17 17 THR HG23 H 1 1.194 0.005 . 1 . . . . . 17 THR QG2 . 16674 1 92 . 1 1 18 18 VAL H H 1 9.392 0.005 . 1 . . . . . 18 VAL HN . 16674 1 93 . 1 1 18 18 VAL HA H 1 4.117 0.007 . 1 . . . . . 18 VAL HA . 16674 1 94 . 1 1 18 18 VAL HB H 1 2.242 0.005 . 1 . . . . . 18 VAL HB . 16674 1 95 . 1 1 18 18 VAL HG11 H 1 1.441 0.006 . 1 . . . . . 18 VAL QG1 . 16674 1 96 . 1 1 18 18 VAL HG12 H 1 1.441 0.006 . 1 . . . . . 18 VAL QG1 . 16674 1 97 . 1 1 18 18 VAL HG13 H 1 1.441 0.006 . 1 . . . . . 18 VAL QG1 . 16674 1 98 . 1 1 18 18 VAL HG21 H 1 -0.697 0.005 . 1 . . . . . 18 VAL QG2 . 16674 1 99 . 1 1 18 18 VAL HG22 H 1 -0.697 0.005 . 1 . . . . . 18 VAL QG2 . 16674 1 100 . 1 1 18 18 VAL HG23 H 1 -0.697 0.005 . 1 . . . . . 18 VAL QG2 . 16674 1 101 . 1 1 19 19 MET H H 1 8.552 0.006 . 1 . . . . . 19 MET HN . 16674 1 102 . 1 1 19 19 MET HA H 1 5.264 0.003 . 1 . . . . . 19 MET HA . 16674 1 103 . 1 1 19 19 MET HB2 H 1 2.220 0.008 . 2 . . . . . 19 MET HB2 . 16674 1 104 . 1 1 19 19 MET HB3 H 1 1.615 0.005 . 2 . . . . . 19 MET HB3 . 16674 1 105 . 1 1 19 19 MET HG2 H 1 2.572 0.004 . 2 . . . . . 19 MET HG2 . 16674 1 106 . 1 1 20 20 PHE H H 1 9.869 0.003 . 1 . . . . . 20 PHE HN . 16674 1 107 . 1 1 20 20 PHE HA H 1 5.424 0.003 . 1 . . . . . 20 PHE HA . 16674 1 108 . 1 1 20 20 PHE HB2 H 1 3.337 0.006 . 2 . . . . . 20 PHE HB2 . 16674 1 109 . 1 1 20 20 PHE HB3 H 1 2.828 0.009 . 2 . . . . . 20 PHE HB3 . 16674 1 110 . 1 1 20 20 PHE HD1 H 1 7.405 0.005 . 3 . . . . . 20 PHE HD1 . 16674 1 111 . 1 1 20 20 PHE HE1 H 1 3.360 0.003 . 3 . . . . . 20 PHE HE1 . 16674 1 112 . 1 1 20 20 PHE HE2 H 1 0.136 0.004 . 3 . . . . . 20 PHE HE2 . 16674 1 113 . 1 1 20 20 PHE HZ H 1 4.145 0.003 . 1 . . . . . 20 PHE HZ . 16674 1 114 . 1 1 21 21 PRO HA H 1 3.731 0.005 . 1 . . . . . 21 PRO HA . 16674 1 115 . 1 1 21 21 PRO HD2 H 1 4.319 0.006 . 2 . . . . . 21 PRO HD2 . 16674 1 116 . 1 1 21 21 PRO HD3 H 1 2.602 0.002 . 2 . . . . . 21 PRO HD3 . 16674 1 117 . 1 1 22 22 HIS H H 1 6.853 0.010 . 1 . . . . . 22 HIS HN . 16674 1 118 . 1 1 22 22 HIS HA H 1 1.360 0.005 . 1 . . . . . 22 HIS HA . 16674 1 119 . 1 1 22 22 HIS HB2 H 1 1.026 0.005 . 2 . . . . . 22 HIS HB2 . 16674 1 120 . 1 1 22 22 HIS HD1 H 1 9.539 0.005 . 1 . . . . . 22 HIS HD1 . 16674 1 121 . 1 1 22 22 HIS HD2 H 1 0.834 0.004 . 1 . . . . . 22 HIS HD2 . 16674 1 122 . 1 1 22 22 HIS HE1 H 1 1.580 0.003 . 1 . . . . . 22 HIS HE1 . 16674 1 123 . 1 1 23 23 ALA H H 1 7.649 0.003 . 1 . . . . . 23 ALA HN . 16674 1 124 . 1 1 23 23 ALA HA H 1 3.562 0.005 . 1 . . . . . 23 ALA HA . 16674 1 125 . 1 1 23 23 ALA HB1 H 1 0.916 0.002 . 1 . . . . . 23 ALA QB . 16674 1 126 . 1 1 23 23 ALA HB2 H 1 0.916 0.002 . 1 . . . . . 23 ALA QB . 16674 1 127 . 1 1 23 23 ALA HB3 H 1 0.916 0.002 . 1 . . . . . 23 ALA QB . 16674 1 128 . 1 1 24 24 PRO HA H 1 3.900 0.003 . 1 . . . . . 24 PRO HA . 16674 1 129 . 1 1 24 24 PRO HB2 H 1 -0.111 0.005 . 2 . . . . . 24 PRO HB2 . 16674 1 130 . 1 1 24 24 PRO HB3 H 1 2.007 0.005 . 2 . . . . . 24 PRO HB3 . 16674 1 131 . 1 1 24 24 PRO HD2 H 1 2.870 0.006 . 2 . . . . . 24 PRO HD2 . 16674 1 132 . 1 1 24 24 PRO HD3 H 1 2.135 0.005 . 2 . . . . . 24 PRO HD3 . 16674 1 133 . 1 1 24 24 PRO HG2 H 1 1.366 0.005 . 2 . . . . . 24 PRO HG2 . 16674 1 134 . 1 1 24 24 PRO HG3 H 1 0.502 0.005 . 2 . . . . . 24 PRO HG3 . 16674 1 135 . 1 1 25 25 HIS H H 1 6.205 0.005 . 1 . . . . . 25 HIS HN . 16674 1 136 . 1 1 25 25 HIS HA H 1 3.187 0.005 . 1 . . . . . 25 HIS HA . 16674 1 137 . 1 1 25 25 HIS HB2 H 1 2.158 0.006 . 2 . . . . . 25 HIS HB2 . 16674 1 138 . 1 1 25 25 HIS HB3 H 1 1.036 0.004 . 2 . . . . . 25 HIS HB3 . 16674 1 139 . 1 1 25 25 HIS HD1 H 1 7.562 0.004 . 1 . . . . . 25 HIS HD1 . 16674 1 140 . 1 1 25 25 HIS HE1 H 1 1.074 0.002 . 1 . . . . . 25 HIS HE1 . 16674 1 141 . 1 1 26 26 GLU H H 1 6.705 0.003 . 1 . . . . . 26 GLU HN . 16674 1 142 . 1 1 26 26 GLU HA H 1 3.992 0.006 . 1 . . . . . 26 GLU HA . 16674 1 143 . 1 1 26 26 GLU HB2 H 1 2.097 0.003 . 2 . . . . . 26 GLU HB2 . 16674 1 144 . 1 1 26 26 GLU HB3 H 1 1.968 0.003 . 2 . . . . . 26 GLU HB3 . 16674 1 145 . 1 1 26 26 GLU HG2 H 1 1.801 0.002 . 2 . . . . . 26 GLU HG2 . 16674 1 146 . 1 1 27 27 LYS H H 1 8.232 0.005 . 1 . . . . . 27 LYS HN . 16674 1 147 . 1 1 27 27 LYS HA H 1 4.344 0.003 . 1 . . . . . 27 LYS HA . 16674 1 148 . 1 1 27 27 LYS HB2 H 1 2.099 0.001 . 2 . . . . . 27 LYS HB2 . 16674 1 149 . 1 1 27 27 LYS HB3 H 1 1.806 0.002 . 2 . . . . . 27 LYS HB3 . 16674 1 150 . 1 1 27 27 LYS HG2 H 1 1.409 0.005 . 2 . . . . . 27 LYS HG2 . 16674 1 151 . 1 1 28 28 VAL H H 1 8.072 0.004 . 1 . . . . . 28 VAL HN . 16674 1 152 . 1 1 28 28 VAL HA H 1 4.216 0.005 . 1 . . . . . 28 VAL HA . 16674 1 153 . 1 1 28 28 VAL HB H 1 2.555 0.007 . 1 . . . . . 28 VAL HB . 16674 1 154 . 1 1 28 28 VAL HG11 H 1 1.544 0.010 . 1 . . . . . 28 VAL QG1 . 16674 1 155 . 1 1 28 28 VAL HG12 H 1 1.544 0.010 . 1 . . . . . 28 VAL QG1 . 16674 1 156 . 1 1 28 28 VAL HG13 H 1 1.544 0.010 . 1 . . . . . 28 VAL QG1 . 16674 1 157 . 1 1 28 28 VAL HG21 H 1 1.127 0.005 . 1 . . . . . 28 VAL QG2 . 16674 1 158 . 1 1 28 28 VAL HG22 H 1 1.127 0.005 . 1 . . . . . 28 VAL QG2 . 16674 1 159 . 1 1 28 28 VAL HG23 H 1 1.127 0.005 . 1 . . . . . 28 VAL QG2 . 16674 1 160 . 1 1 29 29 GLU H H 1 8.812 0.003 . 1 . . . . . 29 GLU HN . 16674 1 161 . 1 1 29 29 GLU HA H 1 4.547 0.005 . 1 . . . . . 29 GLU HA . 16674 1 162 . 1 1 29 29 GLU HB2 H 1 2.043 0.006 . 2 . . . . . 29 GLU HB2 . 16674 1 163 . 1 1 29 29 GLU HG2 H 1 2.488 0.001 . 2 . . . . . 29 GLU HG2 . 16674 1 164 . 1 1 30 30 CYS H H 1 8.564 0.002 . 1 . . . . . 30 CYS HN . 16674 1 165 . 1 1 30 30 CYS HA H 1 5.170 0.003 . 1 . . . . . 30 CYS HA . 16674 1 166 . 1 1 30 30 CYS HB2 H 1 2.735 0.005 . 2 . . . . . 30 CYS HB2 . 16674 1 167 . 1 1 31 31 VAL H H 1 7.727 0.003 . 1 . . . . . 31 VAL HN . 16674 1 168 . 1 1 31 31 VAL HA H 1 3.182 0.002 . 1 . . . . . 31 VAL HA . 16674 1 169 . 1 1 31 31 VAL HB H 1 1.668 0.002 . 1 . . . . . 31 VAL HB . 16674 1 170 . 1 1 31 31 VAL HG21 H 1 0.507 0.005 . 2 . . . . . 31 VAL QG2 . 16674 1 171 . 1 1 31 31 VAL HG22 H 1 0.507 0.005 . 2 . . . . . 31 VAL QG2 . 16674 1 172 . 1 1 31 31 VAL HG23 H 1 0.507 0.005 . 2 . . . . . 31 VAL QG2 . 16674 1 173 . 1 1 32 32 THR H H 1 7.817 0.006 . 1 . . . . . 32 THR HN . 16674 1 174 . 1 1 32 32 THR HA H 1 4.422 0.002 . 1 . . . . . 32 THR HA . 16674 1 175 . 1 1 32 32 THR HB H 1 3.551 0.001 . 1 . . . . . 32 THR HB . 16674 1 176 . 1 1 32 32 THR HG21 H 1 1.572 0.004 . 1 . . . . . 32 THR QG2 . 16674 1 177 . 1 1 32 32 THR HG22 H 1 1.572 0.004 . 1 . . . . . 32 THR QG2 . 16674 1 178 . 1 1 32 32 THR HG23 H 1 1.572 0.004 . 1 . . . . . 32 THR QG2 . 16674 1 179 . 1 1 34 34 HIS H H 1 6.227 0.004 . 1 . . . . . 34 HIS HN . 16674 1 180 . 1 1 34 34 HIS HA H 1 2.242 0.004 . 1 . . . . . 34 HIS HA . 16674 1 181 . 1 1 34 34 HIS HB2 H 1 1.160 0.007 . 2 . . . . . 34 HIS HB2 . 16674 1 182 . 1 1 34 34 HIS HB3 H 1 0.269 0.008 . 2 . . . . . 34 HIS HB3 . 16674 1 183 . 1 1 34 34 HIS HD1 H 1 9.472 0.003 . 1 . . . . . 34 HIS HD1 . 16674 1 184 . 1 1 34 34 HIS HD2 H 1 0.474 0.004 . 1 . . . . . 34 HIS HD2 . 16674 1 185 . 1 1 35 35 HIS H H 1 4.226 0.001 . 1 . . . . . 35 HIS HN . 16674 1 186 . 1 1 35 35 HIS HA H 1 2.955 0.003 . 1 . . . . . 35 HIS HA . 16674 1 187 . 1 1 35 35 HIS HB2 H 1 0.554 0.003 . 1 . . . . . 35 HIS HB2 . 16674 1 188 . 1 1 35 35 HIS HB3 H 1 0.706 0.003 . 1 . . . . . 35 HIS HB3 . 16674 1 189 . 1 1 35 35 HIS HD1 H 1 7.291 0.004 . 1 . . . . . 35 HIS HD1 . 16674 1 190 . 1 1 35 35 HIS HE1 H 1 0.904 0.003 . 1 . . . . . 35 HIS HE1 . 16674 1 191 . 1 1 36 36 LEU H H 1 7.179 0.004 . 1 . . . . . 36 LEU HN . 16674 1 192 . 1 1 36 36 LEU HA H 1 3.265 0.004 . 1 . . . . . 36 LEU HA . 16674 1 193 . 1 1 36 36 LEU HB2 H 1 0.375 0.006 . 2 . . . . . 36 LEU HB2 . 16674 1 194 . 1 1 36 36 LEU HB3 H 1 0.949 0.003 . 2 . . . . . 36 LEU HB3 . 16674 1 195 . 1 1 36 36 LEU HD21 H 1 0.114 0.003 . 2 . . . . . 36 LEU QD2 . 16674 1 196 . 1 1 36 36 LEU HD22 H 1 0.114 0.003 . 2 . . . . . 36 LEU QD2 . 16674 1 197 . 1 1 36 36 LEU HD23 H 1 0.114 0.003 . 2 . . . . . 36 LEU QD2 . 16674 1 198 . 1 1 36 36 LEU HG H 1 1.024 0.002 . 1 . . . . . 36 LEU HG . 16674 1 199 . 1 1 37 37 VAL H H 1 8.031 0.005 . 1 . . . . . 37 VAL HN . 16674 1 200 . 1 1 37 37 VAL HA H 1 3.572 0.007 . 1 . . . . . 37 VAL HA . 16674 1 201 . 1 1 37 37 VAL HB H 1 1.354 0.005 . 1 . . . . . 37 VAL HB . 16674 1 202 . 1 1 37 37 VAL HG11 H 1 0.861 0.007 . 2 . . . . . 37 VAL QG1 . 16674 1 203 . 1 1 37 37 VAL HG12 H 1 0.861 0.007 . 2 . . . . . 37 VAL QG1 . 16674 1 204 . 1 1 37 37 VAL HG13 H 1 0.861 0.007 . 2 . . . . . 37 VAL QG1 . 16674 1 205 . 1 1 37 37 VAL HG21 H 1 -0.393 0.003 . 2 . . . . . 37 VAL QG2 . 16674 1 206 . 1 1 37 37 VAL HG22 H 1 -0.393 0.003 . 2 . . . . . 37 VAL QG2 . 16674 1 207 . 1 1 37 37 VAL HG23 H 1 -0.393 0.003 . 2 . . . . . 37 VAL QG2 . 16674 1 208 . 1 1 38 38 ASP H H 1 9.355 0.005 . 1 . . . . . 38 ASP HN . 16674 1 209 . 1 1 38 38 ASP HA H 1 4.137 0.005 . 1 . . . . . 38 ASP HA . 16674 1 210 . 1 1 38 38 ASP HB2 H 1 2.905 0.006 . 2 . . . . . 38 ASP HB2 . 16674 1 211 . 1 1 38 38 ASP HB3 H 1 2.457 0.008 . 2 . . . . . 38 ASP HB3 . 16674 1 212 . 1 1 39 39 GLY H H 1 8.281 0.006 . 1 . . . . . 39 GLY HN . 16674 1 213 . 1 1 39 39 GLY HA2 H 1 3.897 0.004 . 1 . . . . . 39 GLY HA1 . 16674 1 214 . 1 1 39 39 GLY HA3 H 1 3.237 0.007 . 1 . . . . . 39 GLY HA2 . 16674 1 215 . 1 1 40 40 LYS H H 1 7.516 0.007 . 1 . . . . . 40 LYS HN . 16674 1 216 . 1 1 40 40 LYS HA H 1 4.363 0.003 . 1 . . . . . 40 LYS HA . 16674 1 217 . 1 1 40 40 LYS HB2 H 1 1.592 0.002 . 2 . . . . . 40 LYS HB2 . 16674 1 218 . 1 1 40 40 LYS HB3 H 1 1.651 0.002 . 2 . . . . . 40 LYS HB3 . 16674 1 219 . 1 1 41 41 GLU H H 1 8.207 0.005 . 1 . . . . . 41 GLU HN . 16674 1 220 . 1 1 41 41 GLU HA H 1 3.373 0.004 . 1 . . . . . 41 GLU HA . 16674 1 221 . 1 1 41 41 GLU HB3 H 1 1.588 0.006 . 2 . . . . . 41 GLU HB3 . 16674 1 222 . 1 1 41 41 GLU HG2 H 1 1.993 0.006 . 2 . . . . . 41 GLU HG2 . 16674 1 223 . 1 1 42 42 SER H H 1 7.412 0.006 . 1 . . . . . 42 SER HN . 16674 1 224 . 1 1 42 42 SER HA H 1 3.928 0.005 . 1 . . . . . 42 SER HA . 16674 1 225 . 1 1 42 42 SER HB2 H 1 2.792 0.004 . 1 . . . . . 42 SER HB2 . 16674 1 226 . 1 1 42 42 SER HB3 H 1 2.483 0.007 . 1 . . . . . 42 SER HB3 . 16674 1 227 . 1 1 43 43 TYR H H 1 7.852 0.005 . 1 . . . . . 43 TYR HN . 16674 1 228 . 1 1 43 43 TYR HA H 1 2.728 0.005 . 1 . . . . . 43 TYR HA . 16674 1 229 . 1 1 43 43 TYR HB2 H 1 2.003 0.005 . 2 . . . . . 43 TYR HB2 . 16674 1 230 . 1 1 43 43 TYR HB3 H 1 2.129 0.004 . 2 . . . . . 43 TYR HB3 . 16674 1 231 . 1 1 43 43 TYR HD1 H 1 5.385 0.002 . 3 . . . . . 43 TYR HD1 . 16674 1 232 . 1 1 43 43 TYR HD2 H 1 5.387 0.002 . 3 . . . . . 43 TYR HD2 . 16674 1 233 . 1 1 43 43 TYR HE1 H 1 5.943 0.001 . 3 . . . . . 43 TYR HE1 . 16674 1 234 . 1 1 43 43 TYR HE2 H 1 5.945 0.002 . 3 . . . . . 43 TYR HE2 . 16674 1 235 . 1 1 44 44 ALA H H 1 6.772 0.004 . 1 . . . . . 44 ALA HN . 16674 1 236 . 1 1 44 44 ALA HA H 1 4.563 0.003 . 1 . . . . . 44 ALA HA . 16674 1 237 . 1 1 44 44 ALA HB1 H 1 1.416 0.004 . 1 . . . . . 44 ALA QB . 16674 1 238 . 1 1 44 44 ALA HB2 H 1 1.416 0.004 . 1 . . . . . 44 ALA QB . 16674 1 239 . 1 1 44 44 ALA HB3 H 1 1.416 0.004 . 1 . . . . . 44 ALA QB . 16674 1 240 . 1 1 45 45 LYS H H 1 8.777 0.002 . 1 . . . . . 45 LYS HN . 16674 1 241 . 1 1 45 45 LYS HA H 1 4.382 0.002 . 1 . . . . . 45 LYS HA . 16674 1 242 . 1 1 46 46 CYS H H 1 8.717 0.005 . 1 . . . . . 46 CYS HN . 16674 1 243 . 1 1 46 46 CYS HA H 1 4.853 0.000 . 1 . . . . . 46 CYS HA . 16674 1 244 . 1 1 46 46 CYS HB2 H 1 2.322 0.005 . 2 . . . . . 46 CYS HB2 . 16674 1 245 . 1 1 47 47 GLY H H 1 8.227 0.003 . 1 . . . . . 47 GLY HN . 16674 1 246 . 1 1 48 48 SER H H 1 7.253 0.002 . 1 . . . . . 48 SER HN . 16674 1 247 . 1 1 48 48 SER HA H 1 4.177 0.002 . 1 . . . . . 48 SER HA . 16674 1 248 . 1 1 48 48 SER HB2 H 1 4.019 0.003 . 2 . . . . . 48 SER HB2 . 16674 1 249 . 1 1 48 48 SER HB3 H 1 3.966 0.001 . 2 . . . . . 48 SER HB3 . 16674 1 250 . 1 1 49 49 SER H H 1 8.488 0.003 . 1 . . . . . 49 SER HN . 16674 1 251 . 1 1 49 49 SER HA H 1 4.310 0.003 . 1 . . . . . 49 SER HA . 16674 1 252 . 1 1 49 49 SER HB2 H 1 3.856 0.002 . 2 . . . . . 49 SER HB2 . 16674 1 253 . 1 1 50 50 GLY H H 1 8.866 0.003 . 1 . . . . . 50 GLY HN . 16674 1 254 . 1 1 50 50 GLY HA2 H 1 4.405 0.001 . 2 . . . . . 50 GLY HA1 . 16674 1 255 . 1 1 52 52 HIS H H 1 6.518 0.006 . 1 . . . . . 52 HIS HN . 16674 1 256 . 1 1 52 52 HIS HA H 1 3.312 0.011 . 1 . . . . . 52 HIS HA . 16674 1 257 . 1 1 52 52 HIS HB2 H 1 1.303 0.003 . 2 . . . . . 52 HIS HB2 . 16674 1 258 . 1 1 52 52 HIS HB3 H 1 0.580 0.006 . 2 . . . . . 52 HIS HB3 . 16674 1 259 . 1 1 52 52 HIS HD1 H 1 8.051 0.005 . 1 . . . . . 52 HIS HD1 . 16674 1 260 . 1 1 52 52 HIS HE1 H 1 0.985 0.002 . 1 . . . . . 52 HIS HE1 . 16674 1 261 . 1 1 53 53 ASP H H 1 6.793 0.003 . 1 . . . . . 53 ASP HN . 16674 1 262 . 1 1 53 53 ASP HA H 1 4.015 0.004 . 1 . . . . . 53 ASP HA . 16674 1 263 . 1 1 53 53 ASP HB2 H 1 2.354 0.004 . 2 . . . . . 53 ASP HB2 . 16674 1 264 . 1 1 53 53 ASP HB3 H 1 2.753 0.002 . 2 . . . . . 53 ASP HB3 . 16674 1 265 . 1 1 54 54 ASP H H 1 8.354 0.005 . 1 . . . . . 54 ASP HN . 16674 1 266 . 1 1 54 54 ASP HA H 1 4.617 0.001 . 1 . . . . . 54 ASP HA . 16674 1 267 . 1 1 54 54 ASP HB2 H 1 2.458 0.001 . 2 . . . . . 54 ASP HB2 . 16674 1 268 . 1 1 55 55 LEU H H 1 8.645 0.004 . 1 . . . . . 55 LEU HN . 16674 1 269 . 1 1 55 55 LEU HA H 1 4.412 0.004 . 1 . . . . . 55 LEU HA . 16674 1 270 . 1 1 55 55 LEU HB2 H 1 1.907 0.006 . 2 . . . . . 55 LEU HB2 . 16674 1 271 . 1 1 55 55 LEU HB3 H 1 1.706 0.006 . 2 . . . . . 55 LEU HB3 . 16674 1 272 . 1 1 55 55 LEU HD11 H 1 0.895 0.003 . 1 . . . . . 55 LEU QD1 . 16674 1 273 . 1 1 55 55 LEU HD12 H 1 0.895 0.003 . 1 . . . . . 55 LEU QD1 . 16674 1 274 . 1 1 55 55 LEU HD13 H 1 0.895 0.003 . 1 . . . . . 55 LEU QD1 . 16674 1 275 . 1 1 56 56 THR H H 1 8.508 0.003 . 1 . . . . . 56 THR HN . 16674 1 276 . 1 1 56 56 THR HA H 1 4.487 0.004 . 1 . . . . . 56 THR HA . 16674 1 277 . 1 1 56 56 THR HB H 1 4.108 0.005 . 1 . . . . . 56 THR HB . 16674 1 278 . 1 1 56 56 THR HG21 H 1 1.187 0.003 . 1 . . . . . 56 THR QG2 . 16674 1 279 . 1 1 56 56 THR HG22 H 1 1.187 0.003 . 1 . . . . . 56 THR QG2 . 16674 1 280 . 1 1 56 56 THR HG23 H 1 1.187 0.003 . 1 . . . . . 56 THR QG2 . 16674 1 281 . 1 1 57 57 ALA H H 1 8.335 0.001 . 1 . . . . . 57 ALA HN . 16674 1 282 . 1 1 57 57 ALA HA H 1 4.124 0.001 . 1 . . . . . 57 ALA HA . 16674 1 283 . 1 1 57 57 ALA HB1 H 1 1.287 0.003 . 1 . . . . . 57 ALA QB . 16674 1 284 . 1 1 57 57 ALA HB2 H 1 1.287 0.003 . 1 . . . . . 57 ALA QB . 16674 1 285 . 1 1 57 57 ALA HB3 H 1 1.287 0.003 . 1 . . . . . 57 ALA QB . 16674 1 286 . 1 1 58 58 LYS H H 1 8.207 0.001 . 1 . . . . . 58 LYS HN . 16674 1 287 . 1 1 58 58 LYS HA H 1 4.371 0.004 . 1 . . . . . 58 LYS HA . 16674 1 288 . 1 1 58 58 LYS HD2 H 1 0.426 0.004 . 2 . . . . . 58 LYS HD2 . 16674 1 289 . 1 1 58 58 LYS HD3 H 1 0.651 0.001 . 2 . . . . . 58 LYS HD3 . 16674 1 290 . 1 1 59 59 LYS H H 1 6.980 0.003 . 1 . . . . . 59 LYS HN . 16674 1 291 . 1 1 59 59 LYS HA H 1 4.090 0.008 . 1 . . . . . 59 LYS HA . 16674 1 292 . 1 1 59 59 LYS HB2 H 1 1.480 0.000 . 2 . . . . . 59 LYS HB2 . 16674 1 293 . 1 1 59 59 LYS HB3 H 1 1.352 0.006 . 2 . . . . . 59 LYS HB3 . 16674 1 294 . 1 1 59 59 LYS HG2 H 1 1.097 0.001 . 2 . . . . . 59 LYS HG2 . 16674 1 295 . 1 1 59 59 LYS HG3 H 1 1.023 0.001 . 2 . . . . . 59 LYS HG3 . 16674 1 296 . 1 1 60 60 GLY H H 1 6.024 0.004 . 1 . . . . . 60 GLY HN . 16674 1 297 . 1 1 60 60 GLY HA2 H 1 4.081 0.004 . 1 . . . . . 60 GLY HA1 . 16674 1 298 . 1 1 60 60 GLY HA3 H 1 3.245 0.001 . 1 . . . . . 60 GLY HA2 . 16674 1 299 . 1 1 61 61 GLU H H 1 8.168 0.002 . 1 . . . . . 61 GLU HN . 16674 1 300 . 1 1 61 61 GLU HA H 1 3.524 0.002 . 1 . . . . . 61 GLU HA . 16674 1 301 . 1 1 61 61 GLU HB2 H 1 2.127 0.004 . 1 . . . . . 61 GLU HB2 . 16674 1 302 . 1 1 61 61 GLU HB3 H 1 1.878 0.006 . 1 . . . . . 61 GLU HB3 . 16674 1 303 . 1 1 62 62 LYS H H 1 7.802 0.006 . 1 . . . . . 62 LYS HN . 16674 1 304 . 1 1 62 62 LYS HA H 1 3.522 0.004 . 1 . . . . . 62 LYS HA . 16674 1 305 . 1 1 62 62 LYS HB2 H 1 1.737 0.006 . 1 . . . . . 62 LYS HB2 . 16674 1 306 . 1 1 62 62 LYS HB3 H 1 1.202 0.000 . 1 . . . . . 62 LYS HB3 . 16674 1 307 . 1 1 62 62 LYS HG2 H 1 1.404 0.001 . 2 . . . . . 62 LYS HG2 . 16674 1 308 . 1 1 62 62 LYS HG3 H 1 1.099 0.000 . 2 . . . . . 62 LYS HG3 . 16674 1 309 . 1 1 63 63 SER H H 1 6.763 0.002 . 1 . . . . . 63 SER HN . 16674 1 310 . 1 1 63 63 SER HA H 1 4.347 0.006 . 1 . . . . . 63 SER HA . 16674 1 311 . 1 1 63 63 SER HB2 H 1 2.993 0.004 . 2 . . . . . 63 SER HB2 . 16674 1 312 . 1 1 63 63 SER HB3 H 1 3.656 0.004 . 2 . . . . . 63 SER HB3 . 16674 1 313 . 1 1 64 64 LEU H H 1 6.782 0.005 . 1 . . . . . 64 LEU HN . 16674 1 314 . 1 1 64 64 LEU HA H 1 3.196 0.006 . 1 . . . . . 64 LEU HA . 16674 1 315 . 1 1 64 64 LEU HB2 H 1 1.261 0.005 . 2 . . . . . 64 LEU HB2 . 16674 1 316 . 1 1 64 64 LEU HD11 H 1 0.321 0.004 . 1 . . . . . 64 LEU QD1 . 16674 1 317 . 1 1 64 64 LEU HD12 H 1 0.321 0.004 . 1 . . . . . 64 LEU QD1 . 16674 1 318 . 1 1 64 64 LEU HD13 H 1 0.321 0.004 . 1 . . . . . 64 LEU QD1 . 16674 1 319 . 1 1 64 64 LEU HD21 H 1 0.937 0.002 . 1 . . . . . 64 LEU QD2 . 16674 1 320 . 1 1 64 64 LEU HD22 H 1 0.937 0.002 . 1 . . . . . 64 LEU QD2 . 16674 1 321 . 1 1 64 64 LEU HD23 H 1 0.937 0.002 . 1 . . . . . 64 LEU QD2 . 16674 1 322 . 1 1 64 64 LEU HG H 1 1.540 0.007 . 1 . . . . . 64 LEU HG . 16674 1 323 . 1 1 65 65 TYR H H 1 8.057 0.007 . 1 . . . . . 65 TYR HN . 16674 1 324 . 1 1 65 65 TYR HA H 1 3.113 0.004 . 1 . . . . . 65 TYR HA . 16674 1 325 . 1 1 65 65 TYR HB2 H 1 2.042 0.003 . 2 . . . . . 65 TYR HB2 . 16674 1 326 . 1 1 65 65 TYR HD1 H 1 6.076 0.033 . 3 . . . . . 65 TYR HD1 . 16674 1 327 . 1 1 65 65 TYR HD2 H 1 6.068 0.002 . 3 . . . . . 65 TYR HD2 . 16674 1 328 . 1 1 65 65 TYR HE1 H 1 5.109 0.003 . 3 . . . . . 65 TYR HE1 . 16674 1 329 . 1 1 65 65 TYR HE2 H 1 5.112 0.003 . 3 . . . . . 65 TYR HE2 . 16674 1 330 . 1 1 66 66 TYR H H 1 7.913 0.005 . 1 . . . . . 66 TYR HN . 16674 1 331 . 1 1 66 66 TYR HA H 1 3.332 0.003 . 1 . . . . . 66 TYR HA . 16674 1 332 . 1 1 66 66 TYR HB2 H 1 2.608 0.008 . 2 . . . . . 66 TYR HB2 . 16674 1 333 . 1 1 66 66 TYR HB3 H 1 2.640 0.003 . 2 . . . . . 66 TYR HB3 . 16674 1 334 . 1 1 66 66 TYR HD1 H 1 6.791 0.001 . 3 . . . . . 66 TYR HD1 . 16674 1 335 . 1 1 66 66 TYR HD2 H 1 6.795 0.004 . 3 . . . . . 66 TYR HD2 . 16674 1 336 . 1 1 66 66 TYR HE1 H 1 6.768 0.004 . 3 . . . . . 66 TYR HE1 . 16674 1 337 . 1 1 66 66 TYR HE2 H 1 6.765 0.004 . 3 . . . . . 66 TYR HE2 . 16674 1 338 . 1 1 67 67 VAL H H 1 6.517 0.004 . 1 . . . . . 67 VAL HN . 16674 1 339 . 1 1 67 67 VAL HA H 1 3.520 0.006 . 1 . . . . . 67 VAL HA . 16674 1 340 . 1 1 67 67 VAL HB H 1 2.142 0.006 . 1 . . . . . 67 VAL HB . 16674 1 341 . 1 1 67 67 VAL HG11 H 1 -1.483 0.005 . 1 . . . . . 67 VAL QG1 . 16674 1 342 . 1 1 67 67 VAL HG12 H 1 -1.483 0.005 . 1 . . . . . 67 VAL QG1 . 16674 1 343 . 1 1 67 67 VAL HG13 H 1 -1.483 0.005 . 1 . . . . . 67 VAL QG1 . 16674 1 344 . 1 1 67 67 VAL HG21 H 1 -0.876 0.002 . 1 . . . . . 67 VAL QG2 . 16674 1 345 . 1 1 67 67 VAL HG22 H 1 -0.876 0.002 . 1 . . . . . 67 VAL QG2 . 16674 1 346 . 1 1 67 67 VAL HG23 H 1 -0.876 0.002 . 1 . . . . . 67 VAL QG2 . 16674 1 347 . 1 1 68 68 VAL H H 1 6.227 0.003 . 1 . . . . . 68 VAL HN . 16674 1 348 . 1 1 68 68 VAL HA H 1 3.976 0.004 . 1 . . . . . 68 VAL HA . 16674 1 349 . 1 1 68 68 VAL HB H 1 0.255 0.006 . 1 . . . . . 68 VAL HB . 16674 1 350 . 1 1 68 68 VAL HG11 H 1 -1.483 0.003 . 1 . . . . . 68 VAL QG1 . 16674 1 351 . 1 1 68 68 VAL HG12 H 1 -1.483 0.003 . 1 . . . . . 68 VAL QG1 . 16674 1 352 . 1 1 68 68 VAL HG13 H 1 -1.483 0.003 . 1 . . . . . 68 VAL QG1 . 16674 1 353 . 1 1 68 68 VAL HG21 H 1 0.801 0.004 . 1 . . . . . 68 VAL QG2 . 16674 1 354 . 1 1 68 68 VAL HG22 H 1 0.801 0.004 . 1 . . . . . 68 VAL QG2 . 16674 1 355 . 1 1 68 68 VAL HG23 H 1 0.801 0.004 . 1 . . . . . 68 VAL QG2 . 16674 1 356 . 1 1 69 69 HIS H H 1 6.524 0.006 . 1 . . . . . 69 HIS HN . 16674 1 357 . 1 1 69 69 HIS HA H 1 2.542 0.007 . 1 . . . . . 69 HIS HA . 16674 1 358 . 1 1 69 69 HIS HB2 H 1 0.424 0.005 . 2 . . . . . 69 HIS HB2 . 16674 1 359 . 1 1 69 69 HIS HB3 H 1 1.181 0.002 . 2 . . . . . 69 HIS HB3 . 16674 1 360 . 1 1 69 69 HIS HD1 H 1 7.866 0.006 . 1 . . . . . 69 HIS HD1 . 16674 1 361 . 1 1 69 69 HIS HD2 H 1 0.262 0.002 . 1 . . . . . 69 HIS HD2 . 16674 1 362 . 1 1 69 69 HIS HE1 H 1 0.986 0.003 . 1 . . . . . 69 HIS HE1 . 16674 1 363 . 1 1 70 70 ALA H H 1 7.784 0.003 . 1 . . . . . 70 ALA HN . 16674 1 364 . 1 1 70 70 ALA HA H 1 3.534 0.005 . 1 . . . . . 70 ALA HA . 16674 1 365 . 1 1 70 70 ALA HB1 H 1 0.563 0.004 . 1 . . . . . 70 ALA QB . 16674 1 366 . 1 1 70 70 ALA HB2 H 1 0.563 0.004 . 1 . . . . . 70 ALA QB . 16674 1 367 . 1 1 70 70 ALA HB3 H 1 0.563 0.004 . 1 . . . . . 70 ALA QB . 16674 1 368 . 1 1 71 71 ARG H H 1 7.829 0.003 . 1 . . . . . 71 ARG HN . 16674 1 369 . 1 1 71 71 ARG HA H 1 4.074 0.003 . 1 . . . . . 71 ARG HA . 16674 1 370 . 1 1 71 71 ARG HB2 H 1 1.662 0.004 . 2 . . . . . 71 ARG HB2 . 16674 1 371 . 1 1 71 71 ARG HB3 H 1 1.414 0.001 . 2 . . . . . 71 ARG HB3 . 16674 1 372 . 1 1 71 71 ARG HE H 1 2.783 0.001 . 1 . . . . . 71 ARG HE . 16674 1 373 . 1 1 71 71 ARG HG2 H 1 1.191 0.003 . 2 . . . . . 71 ARG HG2 . 16674 1 374 . 1 1 71 71 ARG HG3 H 1 0.901 0.003 . 2 . . . . . 71 ARG HG3 . 16674 1 375 . 1 1 72 72 GLY H H 1 7.656 0.003 . 1 . . . . . 72 GLY HN . 16674 1 376 . 1 1 72 72 GLY HA2 H 1 3.984 0.003 . 2 . . . . . 72 GLY HA1 . 16674 1 377 . 1 1 72 72 GLY HA3 H 1 3.853 0.002 . 2 . . . . . 72 GLY HA2 . 16674 1 378 . 1 1 73 73 GLU H H 1 8.339 0.004 . 1 . . . . . 73 GLU HN . 16674 1 379 . 1 1 73 73 GLU HA H 1 4.206 0.004 . 1 . . . . . 73 GLU HA . 16674 1 380 . 1 1 73 73 GLU HB2 H 1 2.220 0.005 . 2 . . . . . 73 GLU HB2 . 16674 1 381 . 1 1 73 73 GLU HB3 H 1 1.952 0.002 . 2 . . . . . 73 GLU HB3 . 16674 1 382 . 1 1 74 74 LEU H H 1 8.017 0.004 . 1 . . . . . 74 LEU HN . 16674 1 383 . 1 1 74 74 LEU HA H 1 4.929 0.003 . 1 . . . . . 74 LEU HA . 16674 1 384 . 1 1 74 74 LEU HB2 H 1 2.056 0.004 . 2 . . . . . 74 LEU HB2 . 16674 1 385 . 1 1 74 74 LEU HB3 H 1 2.136 0.002 . 2 . . . . . 74 LEU HB3 . 16674 1 386 . 1 1 74 74 LEU HD11 H 1 0.803 0.005 . 1 . . . . . 74 LEU QD1 . 16674 1 387 . 1 1 74 74 LEU HD12 H 1 0.803 0.005 . 1 . . . . . 74 LEU QD1 . 16674 1 388 . 1 1 74 74 LEU HD13 H 1 0.803 0.005 . 1 . . . . . 74 LEU QD1 . 16674 1 389 . 1 1 74 74 LEU HD21 H 1 0.812 0.006 . 1 . . . . . 74 LEU QD2 . 16674 1 390 . 1 1 74 74 LEU HD22 H 1 0.812 0.006 . 1 . . . . . 74 LEU QD2 . 16674 1 391 . 1 1 74 74 LEU HD23 H 1 0.812 0.006 . 1 . . . . . 74 LEU QD2 . 16674 1 392 . 1 1 74 74 LEU HG H 1 1.547 0.004 . 1 . . . . . 74 LEU HG . 16674 1 393 . 1 1 75 75 LYS H H 1 10.147 0.006 . 1 . . . . . 75 LYS HN . 16674 1 394 . 1 1 75 75 LYS HA H 1 3.929 0.003 . 1 . . . . . 75 LYS HA . 16674 1 395 . 1 1 75 75 LYS HB2 H 1 1.773 0.003 . 2 . . . . . 75 LYS HB2 . 16674 1 396 . 1 1 75 75 LYS HB3 H 1 1.374 0.007 . 2 . . . . . 75 LYS HB3 . 16674 1 397 . 1 1 76 76 HIS H H 1 6.943 0.005 . 1 . . . . . 76 HIS HN . 16674 1 398 . 1 1 76 76 HIS HA H 1 4.575 0.001 . 1 . . . . . 76 HIS HA . 16674 1 399 . 1 1 76 76 HIS HE1 H 1 7.445 0.004 . 1 . . . . . 76 HIS HE1 . 16674 1 400 . 1 1 77 77 THR H H 1 8.643 0.003 . 1 . . . . . 77 THR HN . 16674 1 401 . 1 1 77 77 THR HA H 1 4.528 0.004 . 1 . . . . . 77 THR HA . 16674 1 402 . 1 1 77 77 THR HG21 H 1 1.832 0.004 . 1 . . . . . 77 THR QG2 . 16674 1 403 . 1 1 77 77 THR HG22 H 1 1.832 0.004 . 1 . . . . . 77 THR QG2 . 16674 1 404 . 1 1 77 77 THR HG23 H 1 1.832 0.004 . 1 . . . . . 77 THR QG2 . 16674 1 405 . 1 1 78 78 SER H H 1 7.254 0.005 . 1 . . . . . 78 SER HN . 16674 1 406 . 1 1 78 78 SER HA H 1 6.043 0.004 . 1 . . . . . 78 SER HA . 16674 1 407 . 1 1 78 78 SER HB2 H 1 5.526 0.003 . 2 . . . . . 78 SER HB2 . 16674 1 408 . 1 1 78 78 SER HB3 H 1 3.714 0.004 . 2 . . . . . 78 SER HB3 . 16674 1 409 . 1 1 78 78 SER HG H 1 4.042 0.004 . 1 . . . . . 78 SER HG . 16674 1 410 . 1 1 79 79 CYS H H 1 7.854 0.005 . 1 . . . . . 79 CYS HN . 16674 1 411 . 1 1 79 79 CYS HA H 1 4.857 0.004 . 1 . . . . . 79 CYS HA . 16674 1 412 . 1 1 79 79 CYS HB2 H 1 2.105 0.002 . 2 . . . . . 79 CYS HB2 . 16674 1 413 . 1 1 80 80 LEU H H 1 7.143 0.004 . 1 . . . . . 80 LEU HN . 16674 1 414 . 1 1 80 80 LEU HA H 1 3.078 0.004 . 1 . . . . . 80 LEU HA . 16674 1 415 . 1 1 80 80 LEU HB2 H 1 0.722 0.002 . 2 . . . . . 80 LEU HB2 . 16674 1 416 . 1 1 80 80 LEU HD11 H 1 0.520 0.002 . 1 . . . . . 80 LEU QD1 . 16674 1 417 . 1 1 80 80 LEU HD12 H 1 0.520 0.002 . 1 . . . . . 80 LEU QD1 . 16674 1 418 . 1 1 80 80 LEU HD13 H 1 0.520 0.002 . 1 . . . . . 80 LEU QD1 . 16674 1 419 . 1 1 80 80 LEU HD21 H 1 0.060 0.004 . 1 . . . . . 80 LEU QD2 . 16674 1 420 . 1 1 80 80 LEU HD22 H 1 0.060 0.004 . 1 . . . . . 80 LEU QD2 . 16674 1 421 . 1 1 80 80 LEU HD23 H 1 0.060 0.004 . 1 . . . . . 80 LEU QD2 . 16674 1 422 . 1 1 80 80 LEU HG H 1 1.006 0.003 . 1 . . . . . 80 LEU HG . 16674 1 423 . 1 1 81 81 ALA H H 1 8.232 0.004 . 1 . . . . . 81 ALA HN . 16674 1 424 . 1 1 81 81 ALA HA H 1 3.983 0.003 . 1 . . . . . 81 ALA HA . 16674 1 425 . 1 1 81 81 ALA HB1 H 1 1.561 0.002 . 1 . . . . . 81 ALA QB . 16674 1 426 . 1 1 81 81 ALA HB2 H 1 1.561 0.002 . 1 . . . . . 81 ALA QB . 16674 1 427 . 1 1 81 81 ALA HB3 H 1 1.561 0.002 . 1 . . . . . 81 ALA QB . 16674 1 428 . 1 1 83 83 HIS H H 1 7.843 0.003 . 1 . . . . . 83 HIS HN . 16674 1 429 . 1 1 83 83 HIS HA H 1 2.788 0.004 . 1 . . . . . 83 HIS HA . 16674 1 430 . 1 1 83 83 HIS HB2 H 1 1.437 0.002 . 2 . . . . . 83 HIS HB2 . 16674 1 431 . 1 1 83 83 HIS HD1 H 1 9.817 0.005 . 1 . . . . . 83 HIS HD1 . 16674 1 432 . 1 1 83 83 HIS HD2 H 1 1.107 0.004 . 1 . . . . . 83 HIS HD2 . 16674 1 433 . 1 1 83 83 HIS HE1 H 1 1.629 0.003 . 1 . . . . . 83 HIS HE1 . 16674 1 434 . 1 1 84 84 SER H H 1 7.748 0.004 . 1 . . . . . 84 SER HN . 16674 1 435 . 1 1 84 84 SER HA H 1 3.812 0.004 . 1 . . . . . 84 SER HA . 16674 1 436 . 1 1 85 85 LYS H H 1 7.087 0.006 . 1 . . . . . 85 LYS HN . 16674 1 437 . 1 1 85 85 LYS HA H 1 4.121 0.006 . 1 . . . . . 85 LYS HA . 16674 1 438 . 1 1 85 85 LYS HB2 H 1 2.102 0.003 . 2 . . . . . 85 LYS HB2 . 16674 1 439 . 1 1 85 85 LYS HB3 H 1 1.706 0.005 . 2 . . . . . 85 LYS HB3 . 16674 1 440 . 1 1 86 86 VAL H H 1 8.074 0.004 . 1 . . . . . 86 VAL HN . 16674 1 441 . 1 1 86 86 VAL HA H 1 3.745 0.002 . 1 . . . . . 86 VAL HA . 16674 1 442 . 1 1 86 86 VAL HB H 1 1.692 0.005 . 1 . . . . . 86 VAL HB . 16674 1 443 . 1 1 86 86 VAL HG11 H 1 0.791 0.004 . 1 . . . . . 86 VAL QG1 . 16674 1 444 . 1 1 86 86 VAL HG12 H 1 0.791 0.004 . 1 . . . . . 86 VAL QG1 . 16674 1 445 . 1 1 86 86 VAL HG13 H 1 0.791 0.004 . 1 . . . . . 86 VAL QG1 . 16674 1 446 . 1 1 86 86 VAL HG21 H 1 1.356 0.003 . 1 . . . . . 86 VAL QG2 . 16674 1 447 . 1 1 86 86 VAL HG22 H 1 1.356 0.003 . 1 . . . . . 86 VAL QG2 . 16674 1 448 . 1 1 86 86 VAL HG23 H 1 1.356 0.003 . 1 . . . . . 86 VAL QG2 . 16674 1 449 . 1 1 87 87 VAL H H 1 7.823 0.003 . 1 . . . . . 87 VAL HN . 16674 1 450 . 1 1 87 87 VAL HA H 1 3.893 0.002 . 1 . . . . . 87 VAL HA . 16674 1 451 . 1 1 87 87 VAL HB H 1 1.908 0.005 . 1 . . . . . 87 VAL HB . 16674 1 452 . 1 1 87 87 VAL HG11 H 1 0.770 0.005 . 2 . . . . . 87 VAL QG1 . 16674 1 453 . 1 1 87 87 VAL HG12 H 1 0.770 0.005 . 2 . . . . . 87 VAL QG1 . 16674 1 454 . 1 1 87 87 VAL HG13 H 1 0.770 0.005 . 2 . . . . . 87 VAL QG1 . 16674 1 455 . 1 1 87 87 VAL HG21 H 1 0.666 0.007 . 2 . . . . . 87 VAL QG2 . 16674 1 456 . 1 1 87 87 VAL HG22 H 1 0.666 0.007 . 2 . . . . . 87 VAL QG2 . 16674 1 457 . 1 1 87 87 VAL HG23 H 1 0.666 0.007 . 2 . . . . . 87 VAL QG2 . 16674 1 458 . 1 1 88 88 ALA H H 1 7.193 0.003 . 1 . . . . . 88 ALA HN . 16674 1 459 . 1 1 88 88 ALA HA H 1 4.136 0.004 . 1 . . . . . 88 ALA HA . 16674 1 460 . 1 1 88 88 ALA HB1 H 1 1.499 0.003 . 1 . . . . . 88 ALA QB . 16674 1 461 . 1 1 88 88 ALA HB2 H 1 1.499 0.003 . 1 . . . . . 88 ALA QB . 16674 1 462 . 1 1 88 88 ALA HB3 H 1 1.499 0.003 . 1 . . . . . 88 ALA QB . 16674 1 463 . 1 1 89 89 GLU H H 1 7.003 0.002 . 1 . . . . . 89 GLU HN . 16674 1 464 . 1 1 89 89 GLU HA H 1 4.323 0.006 . 1 . . . . . 89 GLU HA . 16674 1 465 . 1 1 89 89 GLU HB2 H 1 2.242 0.004 . 2 . . . . . 89 GLU HB2 . 16674 1 466 . 1 1 89 89 GLU HB3 H 1 2.159 0.004 . 2 . . . . . 89 GLU HB3 . 16674 1 467 . 1 1 89 89 GLU HG2 H 1 2.593 0.007 . 2 . . . . . 89 GLU HG2 . 16674 1 468 . 1 1 89 89 GLU HG3 H 1 2.451 0.003 . 2 . . . . . 89 GLU HG3 . 16674 1 469 . 1 1 90 90 LYS H H 1 7.941 0.002 . 1 . . . . . 90 LYS HN . 16674 1 470 . 1 1 90 90 LYS HA H 1 4.812 0.004 . 1 . . . . . 90 LYS HA . 16674 1 471 . 1 1 90 90 LYS HB2 H 1 1.741 0.010 . 2 . . . . . 90 LYS HB2 . 16674 1 472 . 1 1 90 90 LYS HB3 H 1 1.675 0.003 . 2 . . . . . 90 LYS HB3 . 16674 1 473 . 1 1 90 90 LYS HG2 H 1 1.417 0.000 . 2 . . . . . 90 LYS HG2 . 16674 1 474 . 1 1 91 91 PRO HA H 1 4.544 0.004 . 1 . . . . . 91 PRO HA . 16674 1 475 . 1 1 91 91 PRO HB2 H 1 2.356 0.003 . 2 . . . . . 91 PRO HB2 . 16674 1 476 . 1 1 91 91 PRO HD2 H 1 3.742 0.003 . 2 . . . . . 91 PRO HD2 . 16674 1 477 . 1 1 91 91 PRO HD3 H 1 3.293 0.004 . 2 . . . . . 91 PRO HD3 . 16674 1 478 . 1 1 91 91 PRO HG2 H 1 1.965 0.005 . 2 . . . . . 91 PRO HG2 . 16674 1 479 . 1 1 92 92 GLU H H 1 10.171 0.004 . 1 . . . . . 92 GLU HN . 16674 1 480 . 1 1 92 92 GLU HA H 1 4.273 0.005 . 1 . . . . . 92 GLU HA . 16674 1 481 . 1 1 92 92 GLU HB2 H 1 2.125 0.005 . 2 . . . . . 92 GLU HB2 . 16674 1 482 . 1 1 92 92 GLU HB3 H 1 2.040 0.004 . 2 . . . . . 92 GLU HB3 . 16674 1 483 . 1 1 92 92 GLU HG2 H 1 2.412 0.002 . 2 . . . . . 92 GLU HG2 . 16674 1 484 . 1 1 93 93 LEU H H 1 8.173 0.002 . 1 . . . . . 93 LEU HN . 16674 1 485 . 1 1 93 93 LEU HA H 1 4.510 0.004 . 1 . . . . . 93 LEU HA . 16674 1 486 . 1 1 93 93 LEU HB2 H 1 1.752 0.006 . 2 . . . . . 93 LEU HB2 . 16674 1 487 . 1 1 93 93 LEU HB3 H 1 1.568 0.006 . 2 . . . . . 93 LEU HB3 . 16674 1 488 . 1 1 93 93 LEU HD11 H 1 0.938 0.007 . 1 . . . . . 93 LEU QD1 . 16674 1 489 . 1 1 93 93 LEU HD12 H 1 0.938 0.007 . 1 . . . . . 93 LEU QD1 . 16674 1 490 . 1 1 93 93 LEU HD13 H 1 0.938 0.007 . 1 . . . . . 93 LEU QD1 . 16674 1 491 . 1 1 94 94 LYS H H 1 7.641 0.003 . 1 . . . . . 94 LYS HN . 16674 1 492 . 1 1 94 94 LYS HA H 1 3.548 0.003 . 1 . . . . . 94 LYS HA . 16674 1 493 . 1 1 94 94 LYS HB2 H 1 1.918 0.002 . 2 . . . . . 94 LYS HB2 . 16674 1 494 . 1 1 94 94 LYS HB3 H 1 1.852 0.004 . 2 . . . . . 94 LYS HB3 . 16674 1 495 . 1 1 94 94 LYS HG2 H 1 1.285 0.001 . 2 . . . . . 94 LYS HG2 . 16674 1 496 . 1 1 94 94 LYS HG3 H 1 1.570 0.005 . 2 . . . . . 94 LYS HG3 . 16674 1 497 . 1 1 95 95 LYS H H 1 8.660 0.005 . 1 . . . . . 95 LYS HN . 16674 1 498 . 1 1 95 95 LYS HA H 1 3.945 0.007 . 1 . . . . . 95 LYS HA . 16674 1 499 . 1 1 95 95 LYS HB2 H 1 1.830 0.005 . 2 . . . . . 95 LYS HB2 . 16674 1 500 . 1 1 96 96 ASP H H 1 8.088 0.010 . 1 . . . . . 96 ASP HN . 16674 1 501 . 1 1 96 96 ASP HA H 1 4.320 0.004 . 1 . . . . . 96 ASP HA . 16674 1 502 . 1 1 96 96 ASP HB2 H 1 2.439 0.004 . 2 . . . . . 96 ASP HB2 . 16674 1 503 . 1 1 97 97 LEU H H 1 7.921 0.005 . 1 . . . . . 97 LEU HN . 16674 1 504 . 1 1 97 97 LEU HA H 1 3.977 0.004 . 1 . . . . . 97 LEU HA . 16674 1 505 . 1 1 97 97 LEU HB2 H 1 0.792 0.003 . 2 . . . . . 97 LEU HB2 . 16674 1 506 . 1 1 97 97 LEU HB3 H 1 -0.274 0.007 . 2 . . . . . 97 LEU HB3 . 16674 1 507 . 1 1 97 97 LEU HD11 H 1 -0.125 0.003 . 2 . . . . . 97 LEU QD1 . 16674 1 508 . 1 1 97 97 LEU HD12 H 1 -0.125 0.003 . 2 . . . . . 97 LEU QD1 . 16674 1 509 . 1 1 97 97 LEU HD13 H 1 -0.125 0.003 . 2 . . . . . 97 LEU QD1 . 16674 1 510 . 1 1 97 97 LEU HD21 H 1 -0.504 0.005 . 2 . . . . . 97 LEU QD2 . 16674 1 511 . 1 1 97 97 LEU HD22 H 1 -0.504 0.005 . 2 . . . . . 97 LEU QD2 . 16674 1 512 . 1 1 97 97 LEU HD23 H 1 -0.504 0.005 . 2 . . . . . 97 LEU QD2 . 16674 1 513 . 1 1 97 97 LEU HG H 1 0.583 0.006 . 1 . . . . . 97 LEU HG . 16674 1 514 . 1 1 98 98 THR H H 1 7.727 0.005 . 1 . . . . . 98 THR HN . 16674 1 515 . 1 1 98 98 THR HA H 1 5.010 0.002 . 1 . . . . . 98 THR HA . 16674 1 516 . 1 1 98 98 THR HB H 1 4.453 0.008 . 1 . . . . . 98 THR HB . 16674 1 517 . 1 1 98 98 THR HG1 H 1 5.295 0.003 . 1 . . . . . 98 THR HG1 . 16674 1 518 . 1 1 98 98 THR HG21 H 1 0.677 0.004 . 1 . . . . . 98 THR QG2 . 16674 1 519 . 1 1 98 98 THR HG22 H 1 0.677 0.004 . 1 . . . . . 98 THR QG2 . 16674 1 520 . 1 1 98 98 THR HG23 H 1 0.677 0.004 . 1 . . . . . 98 THR QG2 . 16674 1 521 . 1 1 99 99 GLY H H 1 7.895 0.007 . 1 . . . . . 99 GLY HN . 16674 1 522 . 1 1 99 99 GLY HA2 H 1 4.502 0.005 . 2 . . . . . 99 GLY HA1 . 16674 1 523 . 1 1 99 99 GLY HA3 H 1 4.088 0.005 . 2 . . . . . 99 GLY HA2 . 16674 1 524 . 1 1 100 100 CYS H H 1 9.013 0.005 . 1 . . . . . 100 CYS HN . 16674 1 525 . 1 1 100 100 CYS HA H 1 4.353 0.006 . 1 . . . . . 100 CYS HA . 16674 1 526 . 1 1 100 100 CYS HB2 H 1 2.716 0.006 . 1 . . . . . 100 CYS HB2 . 16674 1 527 . 1 1 100 100 CYS HB3 H 1 3.353 0.004 . 1 . . . . . 100 CYS HB3 . 16674 1 528 . 1 1 101 101 ALA H H 1 7.352 0.005 . 1 . . . . . 101 ALA HN . 16674 1 529 . 1 1 101 101 ALA HA H 1 3.970 0.003 . 1 . . . . . 101 ALA HA . 16674 1 530 . 1 1 101 101 ALA HB1 H 1 1.011 0.005 . 1 . . . . . 101 ALA QB . 16674 1 531 . 1 1 101 101 ALA HB2 H 1 1.011 0.005 . 1 . . . . . 101 ALA QB . 16674 1 532 . 1 1 101 101 ALA HB3 H 1 1.011 0.005 . 1 . . . . . 101 ALA QB . 16674 1 533 . 1 1 102 102 LYS H H 1 8.006 0.006 . 1 . . . . . 102 LYS HN . 16674 1 534 . 1 1 102 102 LYS HA H 1 3.856 0.003 . 1 . . . . . 102 LYS HA . 16674 1 535 . 1 1 102 102 LYS HB2 H 1 1.830 0.005 . 2 . . . . . 102 LYS HB2 . 16674 1 536 . 1 1 102 102 LYS HD2 H 1 1.550 0.004 . 2 . . . . . 102 LYS HD2 . 16674 1 537 . 1 1 102 102 LYS HG2 H 1 1.257 0.004 . 2 . . . . . 102 LYS HG2 . 16674 1 538 . 1 1 103 103 SER H H 1 7.758 0.004 . 1 . . . . . 103 SER HN . 16674 1 539 . 1 1 103 103 SER HA H 1 4.896 0.003 . 1 . . . . . 103 SER HA . 16674 1 540 . 1 1 103 103 SER HB2 H 1 3.951 0.004 . 2 . . . . . 103 SER HB2 . 16674 1 541 . 1 1 103 103 SER HB3 H 1 3.855 0.003 . 2 . . . . . 103 SER HB3 . 16674 1 542 . 1 1 104 104 LYS H H 1 9.680 0.004 . 1 . . . . . 104 LYS HN . 16674 1 543 . 1 1 104 104 LYS HA H 1 4.194 0.008 . 1 . . . . . 104 LYS HA . 16674 1 544 . 1 1 104 104 LYS HB2 H 1 2.394 0.004 . 2 . . . . . 104 LYS HB2 . 16674 1 545 . 1 1 104 104 LYS HB3 H 1 2.160 0.002 . 2 . . . . . 104 LYS HB3 . 16674 1 546 . 1 1 104 104 LYS HD2 H 1 1.963 0.000 . 2 . . . . . 104 LYS HD2 . 16674 1 547 . 1 1 104 104 LYS HG2 H 1 1.729 0.000 . 2 . . . . . 104 LYS HG2 . 16674 1 548 . 1 1 106 106 HIS H H 1 6.135 0.006 . 1 . . . . . 106 HIS HN . 16674 1 549 . 1 1 106 106 HIS HA H 1 3.921 0.005 . 1 . . . . . 106 HIS HA . 16674 1 550 . 1 1 106 106 HIS HB2 H 1 0.953 0.005 . 2 . . . . . 106 HIS HB2 . 16674 1 551 . 1 1 106 106 HIS HD1 H 1 9.360 0.004 . 1 . . . . . 106 HIS HD1 . 16674 1 552 . 1 1 106 106 HIS HD2 H 1 0.773 0.001 . 1 . . . . . 106 HIS HD2 . 16674 1 553 . 1 1 106 106 HIS HE1 H 1 1.266 0.006 . 1 . . . . . 106 HIS HE1 . 16674 1 554 . 1 1 107 107 PRO HA H 1 4.076 0.005 . 1 . . . . . 107 PRO HA . 16674 1 555 . 1 1 107 107 PRO HB2 H 1 2.099 0.001 . 2 . . . . . 107 PRO HB2 . 16674 1 556 . 1 1 107 107 PRO HG2 H 1 1.654 0.003 . 2 . . . . . 107 PRO HG2 . 16674 1 557 . 2 2 1 1 HEM H H 1 6.137 0.003 . 1 . . . . . 33 CYS HN . 16674 1 558 . 2 2 1 1 HEM HA H 1 4.423 0.003 . 1 . . . . . 33 CYS HA . 16674 1 559 . 2 2 1 1 HEM HAD1 H 1 3.594 0.003 . 2 . . . . . 33 CYS HA62 . 16674 1 560 . 2 2 1 1 HEM HAD2 H 1 4.006 0.001 . 2 . . . . . 33 CYS HA63 . 16674 1 561 . 2 2 1 1 HEM HHC H 1 9.522 0.002 . 1 . . . . . 33 CYS HAM . 16674 1 562 . 2 2 1 1 HEM HB2 H 1 2.315 0.001 . 2 . . . . . 33 CYS HB2 . 16674 1 563 . 2 2 1 1 HEM HB3 H 1 1.223 0.004 . 2 . . . . . 33 CYS HB3 . 16674 1 564 . 2 2 1 1 HEM HHD H 1 7.993 0.004 . 1 . . . . . 33 CYS HBM . 16674 1 565 . 2 2 1 1 HEM HHB H 1 8.900 0.010 . 1 . . . . . 33 CYS HDM . 16674 1 566 . 2 2 1 1 HEM HHA H 1 9.590 0.005 . 1 . . . . . 33 CYS HGM . 16674 1 567 . 2 2 1 1 HEM HAB H 1 6.332 0.008 . 1 . . . . . 33 CYS HT2A . 16674 1 568 . 2 2 1 1 HEM HAC H 1 5.318 0.004 . 1 . . . . . 33 CYS HT4A . 16674 1 569 . 2 2 1 1 HEM CMB H 1 3.101 0.003 . 1 . . . . . 33 CYS QM1 . 16674 1 570 . 2 2 1 1 HEM CMC H 1 3.217 0.005 . 1 . . . . . 33 CYS QM3 . 16674 1 571 . 2 2 1 1 HEM CMD H 1 2.791 0.004 . 1 . . . . . 33 CYS QM5 . 16674 1 572 . 2 2 1 1 HEM QM8 H 1 3.252 0.003 . 1 . . . . . 33 CYS QM8 . 16674 1 573 . 2 2 1 1 HEM CBB H 1 2.078 0.002 . 1 . . . . . 33 CYS QT2 . 16674 1 574 . 2 2 1 1 HEM CBC H 1 0.406 0.003 . 1 . . . . . 33 CYS QT4 . 16674 1 575 . 3 2 1 1 HEM H H 1 7.978 0.003 . 1 . . . . . 51 CYS HN . 16674 1 576 . 3 2 1 1 HEM HA H 1 3.972 0.002 . 1 . . . . . 51 CYS HA . 16674 1 577 . 3 2 1 1 HEM HAD1 H 1 4.233 0.003 . 2 . . . . . 51 CYS HA62 . 16674 1 578 . 3 2 1 1 HEM HAD2 H 1 3.993 0.003 . 2 . . . . . 51 CYS HA63 . 16674 1 579 . 3 2 1 1 HEM HAA1 H 1 4.123 0.003 . 2 . . . . . 51 CYS HA72 . 16674 1 580 . 3 2 1 1 HEM HAA2 H 1 3.338 0.004 . 2 . . . . . 51 CYS HA73 . 16674 1 581 . 3 2 1 1 HEM HHC H 1 8.680 0.004 . 1 . . . . . 51 CYS HAM . 16674 1 582 . 3 2 1 1 HEM HB2 H 1 2.460 0.004 . 2 . . . . . 51 CYS HB2 . 16674 1 583 . 3 2 1 1 HEM HBD2 H 1 3.059 0.002 . 2 . . . . . 51 CYS HB63 . 16674 1 584 . 3 2 1 1 HEM HBA1 H 1 2.935 0.010 . 2 . . . . . 51 CYS HB72 . 16674 1 585 . 3 2 1 1 HEM HBA2 H 1 3.664 0.003 . 2 . . . . . 51 CYS HB73 . 16674 1 586 . 3 2 1 1 HEM HHD H 1 9.146 0.003 . 1 . . . . . 51 CYS HBM . 16674 1 587 . 3 2 1 1 HEM HHB H 1 9.570 0.005 . 1 . . . . . 51 CYS HDM . 16674 1 588 . 3 2 1 1 HEM HHA H 1 9.195 0.004 . 1 . . . . . 51 CYS HGM . 16674 1 589 . 3 2 1 1 HEM HAB H 1 5.151 0.005 . 1 . . . . . 51 CYS HT2A . 16674 1 590 . 3 2 1 1 HEM HAC H 1 5.796 0.003 . 1 . . . . . 51 CYS HT4A . 16674 1 591 . 3 2 1 1 HEM CMB H 1 3.603 0.003 . 1 . . . . . 51 CYS QM1 . 16674 1 592 . 3 2 1 1 HEM CMC H 1 2.986 0.005 . 1 . . . . . 51 CYS QM3 . 16674 1 593 . 3 2 1 1 HEM CMD H 1 3.330 0.002 . 1 . . . . . 51 CYS QM5 . 16674 1 594 . 3 2 1 1 HEM QM8 H 1 3.113 0.002 . 1 . . . . . 51 CYS QM8 . 16674 1 595 . 3 2 1 1 HEM CBB H 1 0.480 0.004 . 1 . . . . . 51 CYS QT2 . 16674 1 596 . 3 2 1 1 HEM CBC H 1 1.968 0.004 . 1 . . . . . 51 CYS QT4 . 16674 1 597 . 4 2 1 1 HEM H H 1 7.192 0.003 . 1 . . . . . 82 CYS HN . 16674 1 598 . 4 2 1 1 HEM HA H 1 4.540 0.002 . 1 . . . . . 82 CYS HA . 16674 1 599 . 4 2 1 1 HEM HAD1 H 1 3.120 0.006 . 1 . . . . . 82 CYS HA62 . 16674 1 600 . 4 2 1 1 HEM HAD2 H 1 4.025 0.005 . 1 . . . . . 82 CYS HA63 . 16674 1 601 . 4 2 1 1 HEM HAA1 H 1 3.682 0.001 . 2 . . . . . 82 CYS HA72 . 16674 1 602 . 4 2 1 1 HEM HAA2 H 1 4.408 0.004 . 2 . . . . . 82 CYS HA73 . 16674 1 603 . 4 2 1 1 HEM HHC H 1 9.913 0.004 . 1 . . . . . 82 CYS HAM . 16674 1 604 . 4 2 1 1 HEM HB2 H 1 3.718 0.002 . 2 . . . . . 82 CYS HB2 . 16674 1 605 . 4 2 1 1 HEM HB3 H 1 3.124 0.003 . 2 . . . . . 82 CYS HB3 . 16674 1 606 . 4 2 1 1 HEM HBD1 H 1 2.803 0.011 . 2 . . . . . 82 CYS HB62 . 16674 1 607 . 4 2 1 1 HEM HBD2 H 1 3.830 0.004 . 2 . . . . . 82 CYS HB63 . 16674 1 608 . 4 2 1 1 HEM HHD H 1 9.678 0.002 . 1 . . . . . 82 CYS HBM . 16674 1 609 . 4 2 1 1 HEM HHB H 1 10.208 0.003 . 1 . . . . . 82 CYS HDM . 16674 1 610 . 4 2 1 1 HEM HHA H 1 9.304 0.001 . 1 . . . . . 82 CYS HGM . 16674 1 611 . 4 2 1 1 HEM HAB H 1 6.731 0.003 . 1 . . . . . 82 CYS HT2A . 16674 1 612 . 4 2 1 1 HEM HAC H 1 6.634 0.003 . 1 . . . . . 82 CYS HT4A . 16674 1 613 . 4 2 1 1 HEM CMB H 1 4.613 0.006 . 1 . . . . . 82 CYS QM1 . 16674 1 614 . 4 2 1 1 HEM CMC H 1 4.014 0.003 . 1 . . . . . 82 CYS QM3 . 16674 1 615 . 4 2 1 1 HEM CMD H 1 3.443 0.003 . 1 . . . . . 82 CYS QM5 . 16674 1 616 . 4 2 1 1 HEM QM8 H 1 3.612 0.006 . 1 . . . . . 82 CYS QM8 . 16674 1 617 . 4 2 1 1 HEM CBB H 1 2.743 0.003 . 1 . . . . . 82 CYS QT2 . 16674 1 618 . 4 2 1 1 HEM CBC H 1 2.884 0.005 . 1 . . . . . 82 CYS QT4 . 16674 1 619 . 5 2 1 1 HEM H H 1 6.757 0.004 . 1 . . . . . 105 CYS HN . 16674 1 620 . 5 2 1 1 HEM HA H 1 4.412 0.005 . 1 . . . . . 105 CYS HA . 16674 1 621 . 5 2 1 1 HEM HHC H 1 9.135 0.003 . 1 . . . . . 105 CYS HAM . 16674 1 622 . 5 2 1 1 HEM HB2 H 1 1.452 0.001 . 1 . . . . . 105 CYS HB2 . 16674 1 623 . 5 2 1 1 HEM HB3 H 1 1.697 0.005 . 1 . . . . . 105 CYS HB3 . 16674 1 624 . 5 2 1 1 HEM HHD H 1 9.121 0.005 . 1 . . . . . 105 CYS HBM . 16674 1 625 . 5 2 1 1 HEM HHB H 1 9.329 0.003 . 1 . . . . . 105 CYS HDM . 16674 1 626 . 5 2 1 1 HEM HHA H 1 9.665 0.004 . 1 . . . . . 105 CYS HGM . 16674 1 627 . 5 2 1 1 HEM HAB H 1 5.998 0.006 . 1 . . . . . 105 CYS HT2A . 16674 1 628 . 5 2 1 1 HEM HAC H 1 6.367 0.005 . 1 . . . . . 105 CYS HT4A . 16674 1 629 . 5 2 1 1 HEM CMB H 1 3.567 0.004 . 1 . . . . . 105 CYS QM1 . 16674 1 630 . 5 2 1 1 HEM CMC H 1 3.032 0.006 . 1 . . . . . 105 CYS QM3 . 16674 1 631 . 5 2 1 1 HEM CMD H 1 3.591 0.005 . 1 . . . . . 105 CYS QM5 . 16674 1 632 . 5 2 1 1 HEM QM8 H 1 3.293 0.002 . 1 . . . . . 105 CYS QM8 . 16674 1 633 . 5 2 1 1 HEM CBB H 1 1.952 0.007 . 1 . . . . . 105 CYS QT2 . 16674 1 634 . 5 2 1 1 HEM CBC H 1 0.824 0.006 . 1 . . . . . 105 CYS QT4 . 16674 1 stop_ save_