################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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-1H COSY' . . . 31112 1 2 '2D 1H-1H NOESY' . . . 31112 1 3 '2D 1H-1H TOCSY' . . . 31112 1 4 '2D 1H-13C HSQC' . . . 31112 1 5 '2D 1H-15N HSQC' . . . 31112 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ASN H H 1 8.348 0.00 . . . . . . A 550 ASN H1 . 31112 1 2 . 1 . 1 1 1 ASN HA H 1 4.659 0.00 . . . . . . A 550 ASN HA . 31112 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.809 0.01 . . . . . . A 550 ASN HB2 . 31112 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.734 0.00 . . . . . . A 550 ASN HB3 . 31112 1 5 . 1 . 1 1 1 ASN HD21 H 1 7.579 0.00 . . . . . . A 550 ASN HD21 . 31112 1 6 . 1 . 1 1 1 ASN HD22 H 1 6.908 0.00 . . . . . . A 550 ASN HD22 . 31112 1 7 . 1 . 1 1 1 ASN CA C 13 53.325 0.00 . . . . . . A 550 ASN CA . 31112 1 8 . 1 . 1 1 1 ASN CB C 13 38.969 0.01 . . . . . . A 550 ASN CB . 31112 1 9 . 1 . 1 1 1 ASN N N 15 124.328 0.00 . . . . . . A 550 ASN N . 31112 1 10 . 1 . 1 1 1 ASN ND2 N 15 112.688 0.00 . . . . . . A 550 ASN ND2 . 31112 1 11 . 1 . 1 2 2 ASP H H 1 8.442 0.00 . . . . . . A 551 ASP H . 31112 1 12 . 1 . 1 2 2 ASP HA H 1 4.668 0.00 . . . . . . A 551 ASP HA . 31112 1 13 . 1 . 1 2 2 ASP HB2 H 1 2.846 0.00 . . . . . . A 551 ASP HB2 . 31112 1 14 . 1 . 1 2 2 ASP HB3 H 1 2.846 0.00 . . . . . . A 551 ASP HB3 . 31112 1 15 . 1 . 1 2 2 ASP CA C 13 53.261 0.00 . . . . . . A 551 ASP CA . 31112 1 16 . 1 . 1 2 2 ASP CB C 13 38.377 0.00 . . . . . . A 551 ASP CB . 31112 1 17 . 1 . 1 2 2 ASP N N 15 118.992 0.00 . . . . . . A 551 ASP N . 31112 1 18 . 1 . 1 3 3 HIS H H 1 8.484 0.00 . . . . . . A 552 HIS H . 31112 1 19 . 1 . 1 3 3 HIS HA H 1 4.659 0.00 . . . . . . A 552 HIS HA . 31112 1 20 . 1 . 1 3 3 HIS HB2 H 1 3.314 0.01 . . . . . . A 552 HIS HB2 . 31112 1 21 . 1 . 1 3 3 HIS HB3 H 1 3.225 0.00 . . . . . . A 552 HIS HB3 . 31112 1 22 . 1 . 1 3 3 HIS HD2 H 1 7.295 0.00 . . . . . . A 552 HIS HD2 . 31112 1 23 . 1 . 1 3 3 HIS HE1 H 1 8.627 0.00 . . . . . . A 552 HIS HE1 . 31112 1 24 . 1 . 1 3 3 HIS CA C 13 55.706 0.00 . . . . . . A 552 HIS CA . 31112 1 25 . 1 . 1 3 3 HIS CB C 13 28.497 0.00 . . . . . . A 552 HIS CB . 31112 1 26 . 1 . 1 3 3 HIS CD2 C 13 120.101 0.00 . . . . . . A 552 HIS CD2 . 31112 1 27 . 1 . 1 3 3 HIS CE1 C 13 136.457 0.00 . . . . . . A 552 HIS CE1 . 31112 1 28 . 1 . 1 3 3 HIS N N 15 118.363 0.00 . . . . . . A 552 HIS N . 31112 1 29 . 1 . 1 4 4 GLN H H 1 8.326 0.00 . . . . . . A 553 GLN H . 31112 1 30 . 1 . 1 4 4 GLN HA H 1 4.299 0.00 . . . . . . A 553 GLN HA . 31112 1 31 . 1 . 1 4 4 GLN HB2 H 1 2.071 0.01 . . . . . . A 553 GLN HB2 . 31112 1 32 . 1 . 1 4 4 GLN HB3 H 1 1.992 0.00 . . . . . . A 553 GLN HB3 . 31112 1 33 . 1 . 1 4 4 GLN HG2 H 1 2.343 0.00 . . . . . . A 553 GLN HG2 . 31112 1 34 . 1 . 1 4 4 GLN HG3 H 1 2.343 0.00 . . . . . . A 553 GLN HG3 . 31112 1 35 . 1 . 1 4 4 GLN HE21 H 1 7.488 0.00 . . . . . . A 553 GLN HE21 . 31112 1 36 . 1 . 1 4 4 GLN HE22 H 1 6.843 0.00 . . . . . . A 553 GLN HE22 . 31112 1 37 . 1 . 1 4 4 GLN CA C 13 56.382 0.00 . . . . . . A 553 GLN CA . 31112 1 38 . 1 . 1 4 4 GLN CB C 13 29.491 0.01 . . . . . . A 553 GLN CB . 31112 1 39 . 1 . 1 4 4 GLN CG C 13 33.918 0.00 . . . . . . A 553 GLN CG . 31112 1 40 . 1 . 1 4 4 GLN N N 15 120.621 0.00 . . . . . . A 553 GLN N . 31112 1 41 . 1 . 1 4 4 GLN NE2 N 15 112.136 0.00 . . . . . . A 553 GLN NE2 . 31112 1 42 . 1 . 1 5 5 ASP H H 1 8.470 0.00 . . . . . . A 554 ASP H . 31112 1 43 . 1 . 1 5 5 ASP HA H 1 4.695 0.00 . . . . . . A 554 ASP HA . 31112 1 44 . 1 . 1 5 5 ASP HB2 H 1 2.948 0.01 . . . . . . A 554 ASP HB2 . 31112 1 45 . 1 . 1 5 5 ASP HB3 H 1 2.825 0.00 . . . . . . A 554 ASP HB3 . 31112 1 46 . 1 . 1 5 5 ASP CA C 13 53.231 0.00 . . . . . . A 554 ASP CA . 31112 1 47 . 1 . 1 5 5 ASP CB C 13 38.670 0.01 . . . . . . A 554 ASP CB . 31112 1 48 . 1 . 1 5 5 ASP N N 15 120.177 0.00 . . . . . . A 554 ASP N . 31112 1 49 . 1 . 1 6 6 LEU H H 1 8.213 0.00 . . . . . . A 555 LEU H . 31112 1 50 . 1 . 1 6 6 LEU HA H 1 4.293 0.00 . . . . . . A 555 LEU HA . 31112 1 51 . 1 . 1 6 6 LEU HB2 H 1 1.678 0.00 . . . . . . A 555 LEU HB2 . 31112 1 52 . 1 . 1 6 6 LEU HB3 H 1 1.619 0.00 . . . . . . A 555 LEU HB3 . 31112 1 53 . 1 . 1 6 6 LEU HG H 1 1.599 0.00 . . . . . . A 555 LEU HG . 31112 1 54 . 1 . 1 6 6 LEU HD11 H 1 0.913 0.00 . . . . . . A 555 LEU HD11 . 31112 1 55 . 1 . 1 6 6 LEU HD12 H 1 0.913 0.00 . . . . . . A 555 LEU HD12 . 31112 1 56 . 1 . 1 6 6 LEU HD13 H 1 0.913 0.00 . . . . . . A 555 LEU HD13 . 31112 1 57 . 1 . 1 6 6 LEU HD21 H 1 0.852 0.01 . . . . . . A 555 LEU HD21 . 31112 1 58 . 1 . 1 6 6 LEU HD22 H 1 0.852 0.01 . . . . . . A 555 LEU HD22 . 31112 1 59 . 1 . 1 6 6 LEU HD23 H 1 0.852 0.01 . . . . . . A 555 LEU HD23 . 31112 1 60 . 1 . 1 6 6 LEU CA C 13 55.911 0.00 . . . . . . A 555 LEU CA . 31112 1 61 . 1 . 1 6 6 LEU CB C 13 42.151 0.00 . . . . . . A 555 LEU CB . 31112 1 62 . 1 . 1 6 6 LEU CG C 13 27.094 0.00 . . . . . . A 555 LEU CG . 31112 1 63 . 1 . 1 6 6 LEU CD1 C 13 24.865 0.00 . . . . . . A 555 LEU CD1 . 31112 1 64 . 1 . 1 6 6 LEU CD2 C 13 23.463 0.00 . . . . . . A 555 LEU CD2 . 31112 1 65 . 1 . 1 6 6 LEU N N 15 122.934 0.00 . . . . . . A 555 LEU N . 31112 1 66 . 1 . 1 7 7 ARG H H 1 8.217 0.00 . . . . . . A 556 ARG H . 31112 1 67 . 1 . 1 7 7 ARG HA H 1 4.267 0.00 . . . . . . A 556 ARG HA . 31112 1 68 . 1 . 1 7 7 ARG HB2 H 1 1.850 0.00 . . . . . . A 556 ARG HB2 . 31112 1 69 . 1 . 1 7 7 ARG HB3 H 1 1.817 0.00 . . . . . . A 556 ARG HB3 . 31112 1 70 . 1 . 1 7 7 ARG HG2 H 1 1.675 0.00 . . . . . . A 556 ARG HG2 . 31112 1 71 . 1 . 1 7 7 ARG HG3 H 1 1.617 0.00 . . . . . . A 556 ARG HG3 . 31112 1 72 . 1 . 1 7 7 ARG HD2 H 1 3.218 0.01 . . . . . . A 556 ARG HD2 . 31112 1 73 . 1 . 1 7 7 ARG HD3 H 1 3.218 0.01 . . . . . . A 556 ARG HD3 . 31112 1 74 . 1 . 1 7 7 ARG HE H 1 7.237 0.00 . . . . . . A 556 ARG HE . 31112 1 75 . 1 . 1 7 7 ARG CA C 13 56.882 0.00 . . . . . . A 556 ARG CA . 31112 1 76 . 1 . 1 7 7 ARG CB C 13 30.511 0.00 . . . . . . A 556 ARG CB . 31112 1 77 . 1 . 1 7 7 ARG CG C 13 27.139 0.00 . . . . . . A 556 ARG CG . 31112 1 78 . 1 . 1 7 7 ARG CD C 13 43.431 0.00 . . . . . . A 556 ARG CD . 31112 1 79 . 1 . 1 7 7 ARG N N 15 120.726 0.00 . . . . . . A 556 ARG N . 31112 1 80 . 1 . 1 8 8 GLU H H 1 8.137 0.00 . . . . . . A 557 GLU H . 31112 1 81 . 1 . 1 8 8 GLU HA H 1 4.357 0.00 . . . . . . A 557 GLU HA . 31112 1 82 . 1 . 1 8 8 GLU HB2 H 1 2.099 0.00 . . . . . . A 557 GLU HB2 . 31112 1 83 . 1 . 1 8 8 GLU HB3 H 1 2.008 0.00 . . . . . . A 557 GLU HB3 . 31112 1 84 . 1 . 1 8 8 GLU HG2 H 1 2.449 0.00 . . . . . . A 557 GLU HG2 . 31112 1 85 . 1 . 1 8 8 GLU HG3 H 1 2.449 0.00 . . . . . . A 557 GLU HG3 . 31112 1 86 . 1 . 1 8 8 GLU CA C 13 56.160 0.00 . . . . . . A 557 GLU CA . 31112 1 87 . 1 . 1 8 8 GLU CB C 13 28.819 0.00 . . . . . . A 557 GLU CB . 31112 1 88 . 1 . 1 8 8 GLU CG C 13 33.342 0.00 . . . . . . A 557 GLU CG . 31112 1 89 . 1 . 1 8 8 GLU N N 15 120.433 0.00 . . . . . . A 557 GLU N . 31112 1 90 . 1 . 1 9 9 ILE H H 1 8.114 0.00 . . . . . . A 558 ILE H . 31112 1 91 . 1 . 1 9 9 ILE HA H 1 4.182 0.00 . . . . . . A 558 ILE HA . 31112 1 92 . 1 . 1 9 9 ILE HB H 1 1.909 0.00 . . . . . . A 558 ILE HB . 31112 1 93 . 1 . 1 9 9 ILE HG12 H 1 1.500 0.00 . . . . . . A 558 ILE HG12 . 31112 1 94 . 1 . 1 9 9 ILE HG13 H 1 1.208 0.00 . . . . . . A 558 ILE HG13 . 31112 1 95 . 1 . 1 9 9 ILE HG21 H 1 0.913 0.00 . . . . . . A 558 ILE HG21 . 31112 1 96 . 1 . 1 9 9 ILE HG22 H 1 0.913 0.00 . . . . . . A 558 ILE HG22 . 31112 1 97 . 1 . 1 9 9 ILE HG23 H 1 0.913 0.00 . . . . . . A 558 ILE HG23 . 31112 1 98 . 1 . 1 9 9 ILE HD11 H 1 0.858 0.01 . . . . . . A 558 ILE HD11 . 31112 1 99 . 1 . 1 9 9 ILE HD12 H 1 0.858 0.01 . . . . . . A 558 ILE HD12 . 31112 1 100 . 1 . 1 9 9 ILE HD13 H 1 0.858 0.01 . . . . . . A 558 ILE HD13 . 31112 1 101 . 1 . 1 9 9 ILE CA C 13 61.798 0.00 . . . . . . A 558 ILE CA . 31112 1 102 . 1 . 1 9 9 ILE CB C 13 38.638 0.00 . . . . . . A 558 ILE CB . 31112 1 103 . 1 . 1 9 9 ILE CG1 C 13 27.562 0.01 . . . . . . A 558 ILE CG1 . 31112 1 104 . 1 . 1 9 9 ILE CG2 C 13 17.618 0.00 . . . . . . A 558 ILE CG2 . 31112 1 105 . 1 . 1 9 9 ILE CD1 C 13 13.021 0.00 . . . . . . A 558 ILE CD1 . 31112 1 106 . 1 . 1 9 9 ILE N N 15 121.616 0.00 . . . . . . A 558 ILE N . 31112 1 107 . 1 . 1 10 10 THR H H 1 8.146 0.00 . . . . . . A 559 THR H . 31112 1 108 . 1 . 1 10 10 THR HA H 1 4.313 0.00 . . . . . . A 559 THR HA . 31112 1 109 . 1 . 1 10 10 THR HB H 1 4.245 0.01 . . . . . . A 559 THR HB . 31112 1 110 . 1 . 1 10 10 THR HG21 H 1 1.218 0.00 . . . . . . A 559 THR HG21 . 31112 1 111 . 1 . 1 10 10 THR HG22 H 1 1.218 0.00 . . . . . . A 559 THR HG22 . 31112 1 112 . 1 . 1 10 10 THR HG23 H 1 1.218 0.00 . . . . . . A 559 THR HG23 . 31112 1 113 . 1 . 1 10 10 THR CA C 13 62.466 0.00 . . . . . . A 559 THR CA . 31112 1 114 . 1 . 1 10 10 THR CB C 13 69.854 0.00 . . . . . . A 559 THR CB . 31112 1 115 . 1 . 1 10 10 THR CG2 C 13 21.732 0.00 . . . . . . A 559 THR CG2 . 31112 1 116 . 1 . 1 10 10 THR N N 15 117.661 0.00 . . . . . . A 559 THR N . 31112 1 117 . 1 . 1 11 11 LYS H H 1 8.244 0.00 . . . . . . A 560 LYS H . 31112 1 118 . 1 . 1 11 11 LYS HA H 1 4.283 0.00 . . . . . . A 560 LYS HA . 31112 1 119 . 1 . 1 11 11 LYS HB2 H 1 1.854 0.00 . . . . . . A 560 LYS HB2 . 31112 1 120 . 1 . 1 11 11 LYS HB3 H 1 1.807 0.00 . . . . . . A 560 LYS HB3 . 31112 1 121 . 1 . 1 11 11 LYS HG2 H 1 1.468 0.00 . . . . . . A 560 LYS HG2 . 31112 1 122 . 1 . 1 11 11 LYS HG3 H 1 1.414 0.00 . . . . . . A 560 LYS HG3 . 31112 1 123 . 1 . 1 11 11 LYS HD2 H 1 1.684 0.01 . . . . . . A 560 LYS HD2 . 31112 1 124 . 1 . 1 11 11 LYS HD3 H 1 1.684 0.01 . . . . . . A 560 LYS HD3 . 31112 1 125 . 1 . 1 11 11 LYS HE2 H 1 2.982 0.00 . . . . . . A 560 LYS HE2 . 31112 1 126 . 1 . 1 11 11 LYS HE3 H 1 2.982 0.00 . . . . . . A 560 LYS HE3 . 31112 1 127 . 1 . 1 11 11 LYS CA C 13 57.076 0.00 . . . . . . A 560 LYS CA . 31112 1 128 . 1 . 1 11 11 LYS CB C 13 32.767 0.00 . . . . . . A 560 LYS CB . 31112 1 129 . 1 . 1 11 11 LYS CG C 13 24.868 0.00 . . . . . . A 560 LYS CG . 31112 1 130 . 1 . 1 11 11 LYS CD C 13 29.226 0.00 . . . . . . A 560 LYS CD . 31112 1 131 . 1 . 1 11 11 LYS CE C 13 42.304 0.00 . . . . . . A 560 LYS CE . 31112 1 132 . 1 . 1 11 11 LYS N N 15 123.352 0.00 . . . . . . A 560 LYS N . 31112 1 133 . 1 . 1 12 12 ASP H H 1 8.368 0.00 . . . . . . A 561 ASP H . 31112 1 134 . 1 . 1 12 12 ASP HA H 1 4.707 0.00 . . . . . . A 561 ASP HA . 31112 1 135 . 1 . 1 12 12 ASP HB2 H 1 2.924 0.01 . . . . . . A 561 ASP HB2 . 31112 1 136 . 1 . 1 12 12 ASP HB3 H 1 2.863 0.00 . . . . . . A 561 ASP HB3 . 31112 1 137 . 1 . 1 12 12 ASP CA C 13 53.360 0.00 . . . . . . A 561 ASP CA . 31112 1 138 . 1 . 1 12 12 ASP CB C 13 38.704 0.00 . . . . . . A 561 ASP CB . 31112 1 139 . 1 . 1 12 12 ASP N N 15 119.670 0.00 . . . . . . A 561 ASP N . 31112 1 140 . 1 . 1 13 13 SER H H 1 8.299 0.00 . . . . . . A 562 SER H . 31112 1 141 . 1 . 1 13 13 SER HA H 1 4.379 0.00 . . . . . . A 562 SER HA . 31112 1 142 . 1 . 1 13 13 SER HB2 H 1 3.998 0.00 . . . . . . A 562 SER HB2 . 31112 1 143 . 1 . 1 13 13 SER HB3 H 1 3.918 0.00 . . . . . . A 562 SER HB3 . 31112 1 144 . 1 . 1 13 13 SER CA C 13 59.426 0.00 . . . . . . A 562 SER CA . 31112 1 145 . 1 . 1 13 13 SER CB C 13 63.748 0.01 . . . . . . A 562 SER CB . 31112 1 146 . 1 . 1 13 13 SER N N 15 117.001 0.00 . . . . . . A 562 SER N . 31112 1 147 . 1 . 1 14 14 LYS H H 1 8.290 0.00 . . . . . . A 563 LYS H . 31112 1 148 . 1 . 1 14 14 LYS HA H 1 4.222 0.00 . . . . . . A 563 LYS HA . 31112 1 149 . 1 . 1 14 14 LYS HB2 H 1 1.874 0.00 . . . . . . A 563 LYS HB2 . 31112 1 150 . 1 . 1 14 14 LYS HB3 H 1 1.874 0.00 . . . . . . A 563 LYS HB3 . 31112 1 151 . 1 . 1 14 14 LYS HG2 H 1 1.428 0.00 . . . . . . A 563 LYS HG2 . 31112 1 152 . 1 . 1 14 14 LYS HG3 H 1 1.428 0.00 . . . . . . A 563 LYS HG3 . 31112 1 153 . 1 . 1 14 14 LYS HD2 H 1 1.704 0.00 . . . . . . A 563 LYS HD2 . 31112 1 154 . 1 . 1 14 14 LYS HD3 H 1 1.511 0.00 . . . . . . A 563 LYS HD3 . 31112 1 155 . 1 . 1 14 14 LYS HE2 H 1 3.003 0.00 . . . . . . A 563 LYS HE2 . 31112 1 156 . 1 . 1 14 14 LYS HE3 H 1 3.003 0.00 . . . . . . A 563 LYS HE3 . 31112 1 157 . 1 . 1 14 14 LYS CA C 13 57.291 0.00 . . . . . . A 563 LYS CA . 31112 1 158 . 1 . 1 14 14 LYS CB C 13 32.640 0.00 . . . . . . A 563 LYS CB . 31112 1 159 . 1 . 1 14 14 LYS CG C 13 24.980 0.00 . . . . . . A 563 LYS CG . 31112 1 160 . 1 . 1 14 14 LYS CD C 13 29.241 0.00 . . . . . . A 563 LYS CD . 31112 1 161 . 1 . 1 14 14 LYS CE C 13 42.242 0.00 . . . . . . A 563 LYS CE . 31112 1 162 . 1 . 1 14 14 LYS N N 15 122.628 0.00 . . . . . . A 563 LYS N . 31112 1 163 . 1 . 1 15 15 MET H H 1 8.137 0.00 . . . . . . A 564 MET H . 31112 1 164 . 1 . 1 15 15 MET HA H 1 4.374 0.00 . . . . . . A 564 MET HA . 31112 1 165 . 1 . 1 15 15 MET HB2 H 1 2.084 0.00 . . . . . . A 564 MET HB2 . 31112 1 166 . 1 . 1 15 15 MET HB3 H 1 2.084 0.00 . . . . . . A 564 MET HB3 . 31112 1 167 . 1 . 1 15 15 MET HG2 H 1 2.657 0.01 . . . . . . A 564 MET HG2 . 31112 1 168 . 1 . 1 15 15 MET HG3 H 1 2.567 0.00 . . . . . . A 564 MET HG3 . 31112 1 169 . 1 . 1 15 15 MET HE1 H 1 2.087 0.00 . . . . . . A 564 MET HE1 . 31112 1 170 . 1 . 1 15 15 MET HE2 H 1 2.087 0.00 . . . . . . A 564 MET HE2 . 31112 1 171 . 1 . 1 15 15 MET HE3 H 1 2.087 0.00 . . . . . . A 564 MET HE3 . 31112 1 172 . 1 . 1 15 15 MET CA C 13 56.665 0.00 . . . . . . A 564 MET CA . 31112 1 173 . 1 . 1 15 15 MET CB C 13 32.565 0.00 . . . . . . A 564 MET CB . 31112 1 174 . 1 . 1 15 15 MET CG C 13 32.234 0.00 . . . . . . A 564 MET CG . 31112 1 175 . 1 . 1 15 15 MET CE C 13 17.127 0.00 . . . . . . A 564 MET CE . 31112 1 176 . 1 . 1 15 15 MET N N 15 119.112 0.00 . . . . . . A 564 MET N . 31112 1 177 . 1 . 1 16 16 GLN H H 1 8.186 0.00 . . . . . . A 565 GLN H . 31112 1 178 . 1 . 1 16 16 GLN HA H 1 4.218 0.00 . . . . . . A 565 GLN HA . 31112 1 179 . 1 . 1 16 16 GLN HB2 H 1 2.094 0.00 . . . . . . A 565 GLN HB2 . 31112 1 180 . 1 . 1 16 16 GLN HB3 H 1 2.094 0.00 . . . . . . A 565 GLN HB3 . 31112 1 181 . 1 . 1 16 16 GLN HG2 H 1 2.416 0.00 . . . . . . A 565 GLN HG2 . 31112 1 182 . 1 . 1 16 16 GLN HG3 H 1 2.367 0.00 . . . . . . A 565 GLN HG3 . 31112 1 183 . 1 . 1 16 16 GLN HE21 H 1 7.453 0.00 . . . . . . A 565 GLN HE21 . 31112 1 184 . 1 . 1 16 16 GLN HE22 H 1 6.831 0.00 . . . . . . A 565 GLN HE22 . 31112 1 185 . 1 . 1 16 16 GLN CA C 13 57.870 0.00 . . . . . . A 565 GLN CA . 31112 1 186 . 1 . 1 16 16 GLN CB C 13 29.150 0.00 . . . . . . A 565 GLN CB . 31112 1 187 . 1 . 1 16 16 GLN CG C 13 34.037 0.00 . . . . . . A 565 GLN CG . 31112 1 188 . 1 . 1 16 16 GLN N N 15 121.073 0.00 . . . . . . A 565 GLN N . 31112 1 189 . 1 . 1 16 16 GLN NE2 N 15 111.868 0.01 . . . . . . A 565 GLN NE2 . 31112 1 190 . 1 . 1 17 17 LYS H H 1 8.196 0.00 . . . . . . A 566 LYS H . 31112 1 191 . 1 . 1 17 17 LYS HA H 1 4.173 0.00 . . . . . . A 566 LYS HA . 31112 1 192 . 1 . 1 17 17 LYS HB2 H 1 1.858 0.00 . . . . . . A 566 LYS HB2 . 31112 1 193 . 1 . 1 17 17 LYS HB3 H 1 1.858 0.00 . . . . . . A 566 LYS HB3 . 31112 1 194 . 1 . 1 17 17 LYS HG2 H 1 1.519 0.00 . . . . . . A 566 LYS HG2 . 31112 1 195 . 1 . 1 17 17 LYS HG3 H 1 1.421 0.00 . . . . . . A 566 LYS HG3 . 31112 1 196 . 1 . 1 17 17 LYS HD2 H 1 1.685 0.00 . . . . . . A 566 LYS HD2 . 31112 1 197 . 1 . 1 17 17 LYS HD3 H 1 1.685 0.00 . . . . . . A 566 LYS HD3 . 31112 1 198 . 1 . 1 17 17 LYS HE2 H 1 3.002 0.01 . . . . . . A 566 LYS HE2 . 31112 1 199 . 1 . 1 17 17 LYS HE3 H 1 3.002 0.01 . . . . . . A 566 LYS HE3 . 31112 1 200 . 1 . 1 17 17 LYS CA C 13 57.741 0.00 . . . . . . A 566 LYS CA . 31112 1 201 . 1 . 1 17 17 LYS CB C 13 32.641 0.00 . . . . . . A 566 LYS CB . 31112 1 202 . 1 . 1 17 17 LYS CG C 13 25.033 0.00 . . . . . . A 566 LYS CG . 31112 1 203 . 1 . 1 17 17 LYS CD C 13 29.202 0.00 . . . . . . A 566 LYS CD . 31112 1 204 . 1 . 1 17 17 LYS CE C 13 42.187 0.00 . . . . . . A 566 LYS CE . 31112 1 205 . 1 . 1 17 17 LYS N N 15 121.197 0.00 . . . . . . A 566 LYS N . 31112 1 206 . 1 . 1 18 18 LEU H H 1 8.071 0.00 . . . . . . A 567 LEU H . 31112 1 207 . 1 . 1 18 18 LEU HA H 1 4.255 0.00 . . . . . . A 567 LEU HA . 31112 1 208 . 1 . 1 18 18 LEU HB2 H 1 1.739 0.00 . . . . . . A 567 LEU HB2 . 31112 1 209 . 1 . 1 18 18 LEU HB3 H 1 1.592 0.00 . . . . . . A 567 LEU HB3 . 31112 1 210 . 1 . 1 18 18 LEU HG H 1 1.698 0.00 . . . . . . A 567 LEU HG . 31112 1 211 . 1 . 1 18 18 LEU HD11 H 1 0.922 0.00 . . . . . . A 567 LEU HD11 . 31112 1 212 . 1 . 1 18 18 LEU HD12 H 1 0.922 0.00 . . . . . . A 567 LEU HD12 . 31112 1 213 . 1 . 1 18 18 LEU HD13 H 1 0.922 0.00 . . . . . . A 567 LEU HD13 . 31112 1 214 . 1 . 1 18 18 LEU HD21 H 1 0.870 0.00 . . . . . . A 567 LEU HD21 . 31112 1 215 . 1 . 1 18 18 LEU HD22 H 1 0.870 0.00 . . . . . . A 567 LEU HD22 . 31112 1 216 . 1 . 1 18 18 LEU HD23 H 1 0.870 0.00 . . . . . . A 567 LEU HD23 . 31112 1 217 . 1 . 1 18 18 LEU CA C 13 56.327 0.00 . . . . . . A 567 LEU CA . 31112 1 218 . 1 . 1 18 18 LEU CB C 13 42.259 0.00 . . . . . . A 567 LEU CB . 31112 1 219 . 1 . 1 18 18 LEU CG C 13 27.040 0.00 . . . . . . A 567 LEU CG . 31112 1 220 . 1 . 1 18 18 LEU CD1 C 13 24.691 0.00 . . . . . . A 567 LEU CD1 . 31112 1 221 . 1 . 1 18 18 LEU CD2 C 13 24.017 0.00 . . . . . . A 567 LEU CD2 . 31112 1 222 . 1 . 1 18 18 LEU N N 15 121.797 0.00 . . . . . . A 567 LEU N . 31112 1 223 . 1 . 1 19 19 ALA H H 1 8.129 0.00 . . . . . . A 568 ALA H . 31112 1 224 . 1 . 1 19 19 ALA HA H 1 4.278 0.00 . . . . . . A 568 ALA HA . 31112 1 225 . 1 . 1 19 19 ALA HB1 H 1 1.455 0.00 . . . . . . A 568 ALA HB1 . 31112 1 226 . 1 . 1 19 19 ALA HB2 H 1 1.455 0.00 . . . . . . A 568 ALA HB2 . 31112 1 227 . 1 . 1 19 19 ALA HB3 H 1 1.455 0.00 . . . . . . A 568 ALA HB3 . 31112 1 228 . 1 . 1 19 19 ALA CA C 13 53.444 0.00 . . . . . . A 568 ALA CA . 31112 1 229 . 1 . 1 19 19 ALA CB C 13 18.771 0.00 . . . . . . A 568 ALA CB . 31112 1 230 . 1 . 1 19 19 ALA N N 15 124.079 0.00 . . . . . . A 568 ALA N . 31112 1 231 . 1 . 1 20 20 LEU H H 1 8.085 0.00 . . . . . . A 569 LEU H . 31112 1 232 . 1 . 1 20 20 LEU HA H 1 4.258 0.00 . . . . . . A 569 LEU HA . 31112 1 233 . 1 . 1 20 20 LEU HB2 H 1 1.695 0.00 . . . . . . A 569 LEU HB2 . 31112 1 234 . 1 . 1 20 20 LEU HB3 H 1 1.695 0.00 . . . . . . A 569 LEU HB3 . 31112 1 235 . 1 . 1 20 20 LEU HG H 1 1.670 0.00 . . . . . . A 569 LEU HG . 31112 1 236 . 1 . 1 20 20 LEU HD11 H 1 0.922 0.00 . . . . . . A 569 LEU HD11 . 31112 1 237 . 1 . 1 20 20 LEU HD12 H 1 0.922 0.00 . . . . . . A 569 LEU HD12 . 31112 1 238 . 1 . 1 20 20 LEU HD13 H 1 0.922 0.00 . . . . . . A 569 LEU HD13 . 31112 1 239 . 1 . 1 20 20 LEU HD21 H 1 0.867 0.00 . . . . . . A 569 LEU HD21 . 31112 1 240 . 1 . 1 20 20 LEU HD22 H 1 0.867 0.00 . . . . . . A 569 LEU HD22 . 31112 1 241 . 1 . 1 20 20 LEU HD23 H 1 0.867 0.00 . . . . . . A 569 LEU HD23 . 31112 1 242 . 1 . 1 20 20 LEU CA C 13 56.443 0.00 . . . . . . A 569 LEU CA . 31112 1 243 . 1 . 1 20 20 LEU CB C 13 42.199 0.00 . . . . . . A 569 LEU CB . 31112 1 244 . 1 . 1 20 20 LEU CG C 13 27.304 0.00 . . . . . . A 569 LEU CG . 31112 1 245 . 1 . 1 20 20 LEU CD1 C 13 25.086 0.00 . . . . . . A 569 LEU CD1 . 31112 1 246 . 1 . 1 20 20 LEU CD2 C 13 24.134 0.00 . . . . . . A 569 LEU CD2 . 31112 1 247 . 1 . 1 20 20 LEU N N 15 120.567 0.00 . . . . . . A 569 LEU N . 31112 1 248 . 1 . 1 21 21 ALA H H 1 8.080 0.00 . . . . . . A 570 ALA H . 31112 1 249 . 1 . 1 21 21 ALA HA H 1 4.191 0.00 . . . . . . A 570 ALA HA . 31112 1 250 . 1 . 1 21 21 ALA HB1 H 1 1.449 0.00 . . . . . . A 570 ALA HB1 . 31112 1 251 . 1 . 1 21 21 ALA HB2 H 1 1.449 0.00 . . . . . . A 570 ALA HB2 . 31112 1 252 . 1 . 1 21 21 ALA HB3 H 1 1.449 0.00 . . . . . . A 570 ALA HB3 . 31112 1 253 . 1 . 1 21 21 ALA CA C 13 54.050 0.00 . . . . . . A 570 ALA CA . 31112 1 254 . 1 . 1 21 21 ALA CB C 13 18.784 0.00 . . . . . . A 570 ALA CB . 31112 1 255 . 1 . 1 21 21 ALA N N 15 122.280 0.00 . . . . . . A 570 ALA N . 31112 1 256 . 1 . 1 22 22 GLY H H 1 8.165 0.00 . . . . . . A 571 GLY H . 31112 1 257 . 1 . 1 22 22 GLY HA2 H 1 3.922 0.00 . . . . . . A 571 GLY HA2 . 31112 1 258 . 1 . 1 22 22 GLY HA3 H 1 3.886 0.00 . . . . . . A 571 GLY HA3 . 31112 1 259 . 1 . 1 22 22 GLY CA C 13 46.229 0.00 . . . . . . A 571 GLY CA . 31112 1 260 . 1 . 1 22 22 GLY N N 15 106.338 0.00 . . . . . . A 571 GLY N . 31112 1 261 . 1 . 1 23 23 PHE H H 1 7.971 0.00 . . . . . . A 572 PHE H . 31112 1 262 . 1 . 1 23 23 PHE HA H 1 4.473 0.00 . . . . . . A 572 PHE HA . 31112 1 263 . 1 . 1 23 23 PHE HB2 H 1 3.157 0.01 . . . . . . A 572 PHE HB2 . 31112 1 264 . 1 . 1 23 23 PHE HB3 H 1 3.133 0.00 . . . . . . A 572 PHE HB3 . 31112 1 265 . 1 . 1 23 23 PHE HD1 H 1 7.203 0.00 . . . . . . A 572 PHE HD1 . 31112 1 266 . 1 . 1 23 23 PHE HD2 H 1 7.203 0.00 . . . . . . A 572 PHE HD2 . 31112 1 267 . 1 . 1 23 23 PHE HE1 H 1 7.278 0.00 . . . . . . A 572 PHE HE1 . 31112 1 268 . 1 . 1 23 23 PHE HE2 H 1 7.278 0.00 . . . . . . A 572 PHE HE2 . 31112 1 269 . 1 . 1 23 23 PHE HZ H 1 7.232 0.00 . . . . . . A 572 PHE HZ . 31112 1 270 . 1 . 1 23 23 PHE CA C 13 59.343 0.00 . . . . . . A 572 PHE CA . 31112 1 271 . 1 . 1 23 23 PHE CB C 13 39.502 0.01 . . . . . . A 572 PHE CB . 31112 1 272 . 1 . 1 23 23 PHE CD2 C 13 131.841 0.00 . . . . . . A 572 PHE CD2 . 31112 1 273 . 1 . 1 23 23 PHE CE1 C 13 131.380 0.00 . . . . . . A 572 PHE CE1 . 31112 1 274 . 1 . 1 23 23 PHE CZ C 13 129.814 0.00 . . . . . . A 572 PHE CZ . 31112 1 275 . 1 . 1 23 23 PHE N N 15 121.288 0.00 . . . . . . A 572 PHE N . 31112 1 276 . 1 . 1 24 24 LEU H H 1 8.138 0.00 . . . . . . A 573 LEU H . 31112 1 277 . 1 . 1 24 24 LEU HA H 1 4.101 0.00 . . . . . . A 573 LEU HA . 31112 1 278 . 1 . 1 24 24 LEU HB2 H 1 1.721 0.00 . . . . . . A 573 LEU HB2 . 31112 1 279 . 1 . 1 24 24 LEU HB3 H 1 1.503 0.01 . . . . . . A 573 LEU HB3 . 31112 1 280 . 1 . 1 24 24 LEU HG H 1 1.682 0.00 . . . . . . A 573 LEU HG . 31112 1 281 . 1 . 1 24 24 LEU HD11 H 1 0.904 0.00 . . . . . . A 573 LEU HD11 . 31112 1 282 . 1 . 1 24 24 LEU HD12 H 1 0.904 0.00 . . . . . . A 573 LEU HD12 . 31112 1 283 . 1 . 1 24 24 LEU HD13 H 1 0.904 0.00 . . . . . . A 573 LEU HD13 . 31112 1 284 . 1 . 1 24 24 LEU HD21 H 1 0.852 0.00 . . . . . . A 573 LEU HD21 . 31112 1 285 . 1 . 1 24 24 LEU HD22 H 1 0.852 0.00 . . . . . . A 573 LEU HD22 . 31112 1 286 . 1 . 1 24 24 LEU HD23 H 1 0.852 0.00 . . . . . . A 573 LEU HD23 . 31112 1 287 . 1 . 1 24 24 LEU CA C 13 56.229 0.00 . . . . . . A 573 LEU CA . 31112 1 288 . 1 . 1 24 24 LEU CB C 13 41.946 0.00 . . . . . . A 573 LEU CB . 31112 1 289 . 1 . 1 24 24 LEU CG C 13 26.988 0.00 . . . . . . A 573 LEU CG . 31112 1 290 . 1 . 1 24 24 LEU CD1 C 13 25.206 0.00 . . . . . . A 573 LEU CD1 . 31112 1 291 . 1 . 1 24 24 LEU CD2 C 13 23.360 0.00 . . . . . . A 573 LEU CD2 . 31112 1 292 . 1 . 1 24 24 LEU N N 15 120.246 0.00 . . . . . . A 573 LEU N . 31112 1 293 . 1 . 1 25 25 LYS H H 1 7.855 0.00 . . . . . . A 574 LYS H . 31112 1 294 . 1 . 1 25 25 LYS HA H 1 4.154 0.00 . . . . . . A 574 LYS HA . 31112 1 295 . 1 . 1 25 25 LYS HB2 H 1 1.841 0.00 . . . . . . A 574 LYS HB2 . 31112 1 296 . 1 . 1 25 25 LYS HB3 H 1 1.841 0.00 . . . . . . A 574 LYS HB3 . 31112 1 297 . 1 . 1 25 25 LYS HG2 H 1 1.495 0.00 . . . . . . A 574 LYS HG2 . 31112 1 298 . 1 . 1 25 25 LYS HG3 H 1 1.421 0.01 . . . . . . A 574 LYS HG3 . 31112 1 299 . 1 . 1 25 25 LYS HD2 H 1 1.687 0.00 . . . . . . A 574 LYS HD2 . 31112 1 300 . 1 . 1 25 25 LYS HD3 H 1 1.687 0.00 . . . . . . A 574 LYS HD3 . 31112 1 301 . 1 . 1 25 25 LYS HE2 H 1 2.986 0.00 . . . . . . A 574 LYS HE2 . 31112 1 302 . 1 . 1 25 25 LYS HE3 H 1 2.986 0.00 . . . . . . A 574 LYS HE3 . 31112 1 303 . 1 . 1 25 25 LYS CA C 13 57.571 0.00 . . . . . . A 574 LYS CA . 31112 1 304 . 1 . 1 25 25 LYS CB C 13 32.935 0.00 . . . . . . A 574 LYS CB . 31112 1 305 . 1 . 1 25 25 LYS CG C 13 24.989 0.01 . . . . . . A 574 LYS CG . 31112 1 306 . 1 . 1 25 25 LYS CD C 13 29.243 0.00 . . . . . . A 574 LYS CD . 31112 1 307 . 1 . 1 25 25 LYS CE C 13 42.227 0.00 . . . . . . A 574 LYS CE . 31112 1 308 . 1 . 1 25 25 LYS N N 15 119.707 0.00 . . . . . . A 574 LYS N . 31112 1 309 . 1 . 1 26 26 LYS H H 1 7.886 0.01 . . . . . . A 575 LYS H . 31112 1 310 . 1 . 1 26 26 LYS HA H 1 4.243 0.00 . . . . . . A 575 LYS HA . 31112 1 311 . 1 . 1 26 26 LYS HB2 H 1 1.812 0.00 . . . . . . A 575 LYS HB2 . 31112 1 312 . 1 . 1 26 26 LYS HB3 H 1 1.812 0.00 . . . . . . A 575 LYS HB3 . 31112 1 313 . 1 . 1 26 26 LYS HG2 H 1 1.452 0.00 . . . . . . A 575 LYS HG2 . 31112 1 314 . 1 . 1 26 26 LYS HG3 H 1 1.370 0.01 . . . . . . A 575 LYS HG3 . 31112 1 315 . 1 . 1 26 26 LYS HD2 H 1 1.665 0.00 . . . . . . A 575 LYS HD2 . 31112 1 316 . 1 . 1 26 26 LYS HD3 H 1 1.665 0.00 . . . . . . A 575 LYS HD3 . 31112 1 317 . 1 . 1 26 26 LYS HE2 H 1 2.971 0.00 . . . . . . A 575 LYS HE2 . 31112 1 318 . 1 . 1 26 26 LYS HE3 H 1 2.971 0.00 . . . . . . A 575 LYS HE3 . 31112 1 319 . 1 . 1 26 26 LYS CA C 13 57.166 0.00 . . . . . . A 575 LYS CA . 31112 1 320 . 1 . 1 26 26 LYS CB C 13 32.923 0.00 . . . . . . A 575 LYS CB . 31112 1 321 . 1 . 1 26 26 LYS CG C 13 25.010 0.00 . . . . . . A 575 LYS CG . 31112 1 322 . 1 . 1 26 26 LYS CD C 13 29.223 0.00 . . . . . . A 575 LYS CD . 31112 1 323 . 1 . 1 26 26 LYS CE C 13 42.235 0.00 . . . . . . A 575 LYS CE . 31112 1 324 . 1 . 1 26 26 LYS N N 15 120.360 0.00 . . . . . . A 575 LYS N . 31112 1 325 . 1 . 1 27 27 ILE H H 1 7.784 0.00 . . . . . . A 576 ILE H . 31112 1 326 . 1 . 1 27 27 ILE HA H 1 4.165 0.00 . . . . . . A 576 ILE HA . 31112 1 327 . 1 . 1 27 27 ILE HB H 1 1.823 0.00 . . . . . . A 576 ILE HB . 31112 1 328 . 1 . 1 27 27 ILE HG12 H 1 1.326 0.00 . . . . . . A 576 ILE HG12 . 31112 1 329 . 1 . 1 27 27 ILE HG13 H 1 1.104 0.00 . . . . . . A 576 ILE HG13 . 31112 1 330 . 1 . 1 27 27 ILE HG21 H 1 0.767 0.00 . . . . . . A 576 ILE HG21 . 31112 1 331 . 1 . 1 27 27 ILE HG22 H 1 0.767 0.00 . . . . . . A 576 ILE HG22 . 31112 1 332 . 1 . 1 27 27 ILE HG23 H 1 0.767 0.00 . . . . . . A 576 ILE HG23 . 31112 1 333 . 1 . 1 27 27 ILE HD11 H 1 0.730 0.00 . . . . . . A 576 ILE HD11 . 31112 1 334 . 1 . 1 27 27 ILE HD12 H 1 0.730 0.00 . . . . . . A 576 ILE HD12 . 31112 1 335 . 1 . 1 27 27 ILE HD13 H 1 0.730 0.00 . . . . . . A 576 ILE HD13 . 31112 1 336 . 1 . 1 27 27 ILE CA C 13 61.218 0.00 . . . . . . A 576 ILE CA . 31112 1 337 . 1 . 1 27 27 ILE CB C 13 38.681 0.00 . . . . . . A 576 ILE CB . 31112 1 338 . 1 . 1 27 27 ILE CG1 C 13 26.974 0.00 . . . . . . A 576 ILE CG1 . 31112 1 339 . 1 . 1 27 27 ILE CG2 C 13 17.717 0.00 . . . . . . A 576 ILE CG2 . 31112 1 340 . 1 . 1 27 27 ILE CD1 C 13 13.430 0.00 . . . . . . A 576 ILE CD1 . 31112 1 341 . 1 . 1 27 27 ILE N N 15 120.442 0.00 . . . . . . A 576 ILE N . 31112 1 342 . 1 . 1 28 28 LYS H H 1 8.078 0.00 . . . . . . A 577 LYS H . 31112 1 343 . 1 . 1 28 28 LYS HA H 1 4.219 0.00 . . . . . . A 577 LYS HA . 31112 1 344 . 1 . 1 28 28 LYS HB2 H 1 1.853 0.00 . . . . . . A 577 LYS HB2 . 31112 1 345 . 1 . 1 28 28 LYS HB3 H 1 1.853 0.00 . . . . . . A 577 LYS HB3 . 31112 1 346 . 1 . 1 28 28 LYS HG2 H 1 1.471 0.00 . . . . . . A 577 LYS HG2 . 31112 1 347 . 1 . 1 28 28 LYS HG3 H 1 1.471 0.00 . . . . . . A 577 LYS HG3 . 31112 1 348 . 1 . 1 28 28 LYS HD2 H 1 1.673 0.00 . . . . . . A 577 LYS HD2 . 31112 1 349 . 1 . 1 28 28 LYS HD3 H 1 1.673 0.00 . . . . . . A 577 LYS HD3 . 31112 1 350 . 1 . 1 28 28 LYS HE2 H 1 2.993 0.00 . . . . . . A 577 LYS HE2 . 31112 1 351 . 1 . 1 28 28 LYS HE3 H 1 2.993 0.00 . . . . . . A 577 LYS HE3 . 31112 1 352 . 1 . 1 28 28 LYS CA C 13 57.227 0.00 . . . . . . A 577 LYS CA . 31112 1 353 . 1 . 1 28 28 LYS CB C 13 32.884 0.00 . . . . . . A 577 LYS CB . 31112 1 354 . 1 . 1 28 28 LYS CG C 13 24.910 0.00 . . . . . . A 577 LYS CG . 31112 1 355 . 1 . 1 28 28 LYS CD C 13 29.295 0.00 . . . . . . A 577 LYS CD . 31112 1 356 . 1 . 1 28 28 LYS CE C 13 42.191 0.00 . . . . . . A 577 LYS CE . 31112 1 357 . 1 . 1 28 28 LYS N N 15 121.841 0.00 . . . . . . A 577 LYS N . 31112 1 358 . 1 . 1 29 29 GLY H H 1 8.453 0.00 . . . . . . A 578 GLY H . 31112 1 359 . 1 . 1 29 29 GLY HA2 H 1 4.021 0.00 . . . . . . A 578 GLY HA2 . 31112 1 360 . 1 . 1 29 29 GLY HA3 H 1 3.976 0.01 . . . . . . A 578 GLY HA3 . 31112 1 361 . 1 . 1 29 29 GLY CA C 13 45.799 0.01 . . . . . . A 578 GLY CA . 31112 1 362 . 1 . 1 29 29 GLY N N 15 110.140 0.00 . . . . . . A 578 GLY N . 31112 1 363 . 1 . 1 30 30 THR H H 1 7.940 0.00 . . . . . . A 579 THR H . 31112 1 364 . 1 . 1 30 30 THR HA H 1 4.380 0.00 . . . . . . A 579 THR HA . 31112 1 365 . 1 . 1 30 30 THR HB H 1 4.255 0.00 . . . . . . A 579 THR HB . 31112 1 366 . 1 . 1 30 30 THR HG21 H 1 1.180 0.00 . . . . . . A 579 THR HG21 . 31112 1 367 . 1 . 1 30 30 THR HG22 H 1 1.180 0.00 . . . . . . A 579 THR HG22 . 31112 1 368 . 1 . 1 30 30 THR HG23 H 1 1.180 0.00 . . . . . . A 579 THR HG23 . 31112 1 369 . 1 . 1 30 30 THR CA C 13 62.454 0.00 . . . . . . A 579 THR CA . 31112 1 370 . 1 . 1 30 30 THR CB C 13 70.455 0.00 . . . . . . A 579 THR CB . 31112 1 371 . 1 . 1 30 30 THR CG2 C 13 21.603 0.00 . . . . . . A 579 THR CG2 . 31112 1 372 . 1 . 1 30 30 THR N N 15 112.868 0.00 . . . . . . A 579 THR N . 31112 1 373 . 1 . 1 31 31 TYR H H 1 8.381 0.00 . . . . . . A 580 TYR H . 31112 1 374 . 1 . 1 31 31 TYR HA H 1 4.528 0.00 . . . . . . A 580 TYR HA . 31112 1 375 . 1 . 1 31 31 TYR HB2 H 1 3.101 0.00 . . . . . . A 580 TYR HB2 . 31112 1 376 . 1 . 1 31 31 TYR HB3 H 1 3.042 0.00 . . . . . . A 580 TYR HB3 . 31112 1 377 . 1 . 1 31 31 TYR HD1 H 1 7.093 0.00 . . . . . . A 580 TYR HD1 . 31112 1 378 . 1 . 1 31 31 TYR HD2 H 1 7.093 0.00 . . . . . . A 580 TYR HD2 . 31112 1 379 . 1 . 1 31 31 TYR HE1 H 1 6.806 0.00 . . . . . . A 580 TYR HE1 . 31112 1 380 . 1 . 1 31 31 TYR HE2 H 1 6.806 0.00 . . . . . . A 580 TYR HE2 . 31112 1 381 . 1 . 1 31 31 TYR CA C 13 59.312 0.00 . . . . . . A 580 TYR CA . 31112 1 382 . 1 . 1 31 31 TYR CB C 13 38.491 0.00 . . . . . . A 580 TYR CB . 31112 1 383 . 1 . 1 31 31 TYR CD1 C 13 133.135 0.00 . . . . . . A 580 TYR CD1 . 31112 1 384 . 1 . 1 31 31 TYR CE1 C 13 118.304 0.00 . . . . . . A 580 TYR CE1 . 31112 1 385 . 1 . 1 31 31 TYR N N 15 122.919 0.00 . . . . . . A 580 TYR N . 31112 1 386 . 1 . 1 32 32 ILE H H 1 7.906 0.01 . . . . . . A 581 ILE H . 31112 1 387 . 1 . 1 32 32 ILE HA H 1 3.797 0.00 . . . . . . A 581 ILE HA . 31112 1 388 . 1 . 1 32 32 ILE HB H 1 1.808 0.00 . . . . . . A 581 ILE HB . 31112 1 389 . 1 . 1 32 32 ILE HG12 H 1 1.409 0.00 . . . . . . A 581 ILE HG12 . 31112 1 390 . 1 . 1 32 32 ILE HG13 H 1 1.142 0.00 . . . . . . A 581 ILE HG13 . 31112 1 391 . 1 . 1 32 32 ILE HG21 H 1 0.830 0.00 . . . . . . A 581 ILE HG21 . 31112 1 392 . 1 . 1 32 32 ILE HG22 H 1 0.830 0.00 . . . . . . A 581 ILE HG22 . 31112 1 393 . 1 . 1 32 32 ILE HG23 H 1 0.830 0.00 . . . . . . A 581 ILE HG23 . 31112 1 394 . 1 . 1 32 32 ILE HD11 H 1 0.809 0.00 . . . . . . A 581 ILE HD11 . 31112 1 395 . 1 . 1 32 32 ILE HD12 H 1 0.809 0.00 . . . . . . A 581 ILE HD12 . 31112 1 396 . 1 . 1 32 32 ILE HD13 H 1 0.809 0.00 . . . . . . A 581 ILE HD13 . 31112 1 397 . 1 . 1 32 32 ILE CA C 13 62.522 0.00 . . . . . . A 581 ILE CA . 31112 1 398 . 1 . 1 32 32 ILE CB C 13 37.994 0.00 . . . . . . A 581 ILE CB . 31112 1 399 . 1 . 1 32 32 ILE CG1 C 13 28.101 0.02 . . . . . . A 581 ILE CG1 . 31112 1 400 . 1 . 1 32 32 ILE CG2 C 13 17.655 0.00 . . . . . . A 581 ILE CG2 . 31112 1 401 . 1 . 1 32 32 ILE CD1 C 13 12.668 0.00 . . . . . . A 581 ILE CD1 . 31112 1 402 . 1 . 1 32 32 ILE N N 15 121.034 0.00 . . . . . . A 581 ILE N . 31112 1 403 . 1 . 1 33 33 GLU H H 1 7.985 0.00 . . . . . . A 582 GLU H . 31112 1 404 . 1 . 1 33 33 GLU HA H 1 4.049 0.00 . . . . . . A 582 GLU HA . 31112 1 405 . 1 . 1 33 33 GLU HB2 H 1 2.119 0.01 . . . . . . A 582 GLU HB2 . 31112 1 406 . 1 . 1 33 33 GLU HB3 H 1 2.081 0.00 . . . . . . A 582 GLU HB3 . 31112 1 407 . 1 . 1 33 33 GLU HG2 H 1 2.456 0.00 . . . . . . A 582 GLU HG2 . 31112 1 408 . 1 . 1 33 33 GLU HG3 H 1 2.456 0.00 . . . . . . A 582 GLU HG3 . 31112 1 409 . 1 . 1 33 33 GLU CA C 13 58.139 0.00 . . . . . . A 582 GLU CA . 31112 1 410 . 1 . 1 33 33 GLU CB C 13 28.258 0.00 . . . . . . A 582 GLU CB . 31112 1 411 . 1 . 1 33 33 GLU CG C 13 33.103 0.00 . . . . . . A 582 GLU CG . 31112 1 412 . 1 . 1 33 33 GLU N N 15 118.689 0.00 . . . . . . A 582 GLU N . 31112 1 413 . 1 . 1 34 34 SER H H 1 7.954 0.00 . . . . . . A 583 SER H . 31112 1 414 . 1 . 1 34 34 SER HA H 1 4.262 0.00 . . . . . . A 583 SER HA . 31112 1 415 . 1 . 1 34 34 SER HB2 H 1 3.936 0.00 . . . . . . A 583 SER HB2 . 31112 1 416 . 1 . 1 34 34 SER HB3 H 1 3.899 0.00 . . . . . . A 583 SER HB3 . 31112 1 417 . 1 . 1 34 34 SER CA C 13 60.384 0.00 . . . . . . A 583 SER CA . 31112 1 418 . 1 . 1 34 34 SER CB C 13 63.141 0.00 . . . . . . A 583 SER CB . 31112 1 419 . 1 . 1 34 34 SER N N 15 115.430 0.00 . . . . . . A 583 SER N . 31112 1 420 . 1 . 1 35 35 LEU H H 1 7.966 0.00 . . . . . . A 584 LEU H . 31112 1 421 . 1 . 1 35 35 LEU HA H 1 4.162 0.01 . . . . . . A 584 LEU HA . 31112 1 422 . 1 . 1 35 35 LEU HB2 H 1 1.766 0.00 . . . . . . A 584 LEU HB2 . 31112 1 423 . 1 . 1 35 35 LEU HB3 H 1 1.533 0.01 . . . . . . A 584 LEU HB3 . 31112 1 424 . 1 . 1 35 35 LEU HG H 1 1.729 0.00 . . . . . . A 584 LEU HG . 31112 1 425 . 1 . 1 35 35 LEU HD11 H 1 0.868 0.00 . . . . . . A 584 LEU HD11 . 31112 1 426 . 1 . 1 35 35 LEU HD12 H 1 0.868 0.00 . . . . . . A 584 LEU HD12 . 31112 1 427 . 1 . 1 35 35 LEU HD13 H 1 0.868 0.00 . . . . . . A 584 LEU HD13 . 31112 1 428 . 1 . 1 35 35 LEU HD21 H 1 0.834 0.00 . . . . . . A 584 LEU HD21 . 31112 1 429 . 1 . 1 35 35 LEU HD22 H 1 0.834 0.00 . . . . . . A 584 LEU HD22 . 31112 1 430 . 1 . 1 35 35 LEU HD23 H 1 0.834 0.00 . . . . . . A 584 LEU HD23 . 31112 1 431 . 1 . 1 35 35 LEU CA C 13 56.829 0.00 . . . . . . A 584 LEU CA . 31112 1 432 . 1 . 1 35 35 LEU CB C 13 41.912 0.00 . . . . . . A 584 LEU CB . 31112 1 433 . 1 . 1 35 35 LEU CG C 13 26.933 0.00 . . . . . . A 584 LEU CG . 31112 1 434 . 1 . 1 35 35 LEU CD1 C 13 25.358 0.00 . . . . . . A 584 LEU CD1 . 31112 1 435 . 1 . 1 35 35 LEU CD2 C 13 23.450 0.00 . . . . . . A 584 LEU CD2 . 31112 1 436 . 1 . 1 35 35 LEU N N 15 119.944 0.00 . . . . . . A 584 LEU N . 31112 1 437 . 1 . 1 36 36 LEU H H 1 7.851 0.02 . . . . . . A 585 LEU H . 31112 1 438 . 1 . 1 36 36 LEU HA H 1 4.165 0.00 . . . . . . A 585 LEU HA . 31112 1 439 . 1 . 1 36 36 LEU HB2 H 1 1.713 0.00 . . . . . . A 585 LEU HB2 . 31112 1 440 . 1 . 1 36 36 LEU HB3 H 1 1.524 0.01 . . . . . . A 585 LEU HB3 . 31112 1 441 . 1 . 1 36 36 LEU HG H 1 1.531 0.00 . . . . . . A 585 LEU HG . 31112 1 442 . 1 . 1 36 36 LEU HD11 H 1 0.838 0.00 . . . . . . A 585 LEU HD11 . 31112 1 443 . 1 . 1 36 36 LEU HD12 H 1 0.838 0.00 . . . . . . A 585 LEU HD12 . 31112 1 444 . 1 . 1 36 36 LEU HD13 H 1 0.838 0.00 . . . . . . A 585 LEU HD13 . 31112 1 445 . 1 . 1 36 36 LEU HD21 H 1 0.795 0.00 . . . . . . A 585 LEU HD21 . 31112 1 446 . 1 . 1 36 36 LEU HD22 H 1 0.795 0.00 . . . . . . A 585 LEU HD22 . 31112 1 447 . 1 . 1 36 36 LEU HD23 H 1 0.795 0.00 . . . . . . A 585 LEU HD23 . 31112 1 448 . 1 . 1 36 36 LEU CA C 13 56.743 0.00 . . . . . . A 585 LEU CA . 31112 1 449 . 1 . 1 36 36 LEU CB C 13 42.088 0.00 . . . . . . A 585 LEU CB . 31112 1 450 . 1 . 1 36 36 LEU CG C 13 26.831 0.00 . . . . . . A 585 LEU CG . 31112 1 451 . 1 . 1 36 36 LEU CD1 C 13 25.201 0.00 . . . . . . A 585 LEU CD1 . 31112 1 452 . 1 . 1 36 36 LEU CD2 C 13 23.400 0.00 . . . . . . A 585 LEU CD2 . 31112 1 453 . 1 . 1 36 36 LEU N N 15 123.082 0.00 . . . . . . A 585 LEU N . 31112 1 454 . 1 . 1 37 37 LYS H H 1 8.049 0.00 . . . . . . A 586 LYS H . 31112 1 455 . 1 . 1 37 37 LYS HA H 1 4.176 0.01 . . . . . . A 586 LYS HA . 31112 1 456 . 1 . 1 37 37 LYS HB2 H 1 1.859 0.00 . . . . . . A 586 LYS HB2 . 31112 1 457 . 1 . 1 37 37 LYS HB3 H 1 1.859 0.00 . . . . . . A 586 LYS HB3 . 31112 1 458 . 1 . 1 37 37 LYS HG2 H 1 1.520 0.00 . . . . . . A 586 LYS HG2 . 31112 1 459 . 1 . 1 37 37 LYS HG3 H 1 1.414 0.01 . . . . . . A 586 LYS HG3 . 31112 1 460 . 1 . 1 37 37 LYS HD2 H 1 1.687 0.00 . . . . . . A 586 LYS HD2 . 31112 1 461 . 1 . 1 37 37 LYS HD3 H 1 1.687 0.00 . . . . . . A 586 LYS HD3 . 31112 1 462 . 1 . 1 37 37 LYS HE2 H 1 3.007 0.01 . . . . . . A 586 LYS HE2 . 31112 1 463 . 1 . 1 37 37 LYS HE3 H 1 3.007 0.01 . . . . . . A 586 LYS HE3 . 31112 1 464 . 1 . 1 37 37 LYS CA C 13 57.967 0.00 . . . . . . A 586 LYS CA . 31112 1 465 . 1 . 1 37 37 LYS CB C 13 32.754 0.00 . . . . . . A 586 LYS CB . 31112 1 466 . 1 . 1 37 37 LYS CG C 13 25.154 0.01 . . . . . . A 586 LYS CG . 31112 1 467 . 1 . 1 37 37 LYS CD C 13 29.215 0.00 . . . . . . A 586 LYS CD . 31112 1 468 . 1 . 1 37 37 LYS CE C 13 42.250 0.00 . . . . . . A 586 LYS CE . 31112 1 469 . 1 . 1 37 37 LYS N N 15 120.066 0.00 . . . . . . A 586 LYS N . 31112 1 470 . 1 . 1 38 38 GLU H H 1 7.981 0.00 . . . . . . A 587 GLU H . 31112 1 471 . 1 . 1 38 38 GLU HA H 1 4.245 0.01 . . . . . . A 587 GLU HA . 31112 1 472 . 1 . 1 38 38 GLU HB2 H 1 2.089 0.00 . . . . . . A 587 GLU HB2 . 31112 1 473 . 1 . 1 38 38 GLU HB3 H 1 2.042 0.00 . . . . . . A 587 GLU HB3 . 31112 1 474 . 1 . 1 38 38 GLU HG2 H 1 2.491 0.00 . . . . . . A 587 GLU HG2 . 31112 1 475 . 1 . 1 38 38 GLU HG3 H 1 2.431 0.01 . . . . . . A 587 GLU HG3 . 31112 1 476 . 1 . 1 38 38 GLU CA C 13 57.230 0.00 . . . . . . A 587 GLU CA . 31112 1 477 . 1 . 1 38 38 GLU CB C 13 28.682 0.00 . . . . . . A 587 GLU CB . 31112 1 478 . 1 . 1 38 38 GLU CG C 13 33.066 0.00 . . . . . . A 587 GLU CG . 31112 1 479 . 1 . 1 38 38 GLU N N 15 118.769 0.00 . . . . . . A 587 GLU N . 31112 1 480 . 1 . 1 39 39 HIS H H 1 8.123 0.00 . . . . . . A 588 HIS H . 31112 1 481 . 1 . 1 39 39 HIS HA H 1 4.634 0.00 . . . . . . A 588 HIS HA . 31112 1 482 . 1 . 1 39 39 HIS HB2 H 1 3.369 0.00 . . . . . . A 588 HIS HB2 . 31112 1 483 . 1 . 1 39 39 HIS HB3 H 1 3.185 0.01 . . . . . . A 588 HIS HB3 . 31112 1 484 . 1 . 1 39 39 HIS HD2 H 1 7.342 0.00 . . . . . . A 588 HIS HD2 . 31112 1 485 . 1 . 1 39 39 HIS HE1 H 1 8.643 0.00 . . . . . . A 588 HIS HE1 . 31112 1 486 . 1 . 1 39 39 HIS CA C 13 55.586 0.00 . . . . . . A 588 HIS CA . 31112 1 487 . 1 . 1 39 39 HIS CB C 13 28.465 0.00 . . . . . . A 588 HIS CB . 31112 1 488 . 1 . 1 39 39 HIS CD2 C 13 120.104 0.00 . . . . . . A 588 HIS CD2 . 31112 1 489 . 1 . 1 39 39 HIS CE1 C 13 136.438 0.00 . . . . . . A 588 HIS CE1 . 31112 1 490 . 1 . 1 39 39 HIS N N 15 117.126 0.00 . . . . . . A 588 HIS N . 31112 1 491 . 1 . 1 40 40 LYS H H 1 8.175 0.00 . . . . . . A 589 LYS H . 31112 1 492 . 1 . 1 40 40 LYS HA H 1 4.297 0.00 . . . . . . A 589 LYS HA . 31112 1 493 . 1 . 1 40 40 LYS HB2 H 1 1.870 0.00 . . . . . . A 589 LYS HB2 . 31112 1 494 . 1 . 1 40 40 LYS HB3 H 1 1.787 0.00 . . . . . . A 589 LYS HB3 . 31112 1 495 . 1 . 1 40 40 LYS HG2 H 1 1.679 0.00 . . . . . . A 589 LYS HG2 . 31112 1 496 . 1 . 1 40 40 LYS HG3 H 1 1.399 0.01 . . . . . . A 589 LYS HG3 . 31112 1 497 . 1 . 1 40 40 LYS HD2 H 1 1.691 0.01 . . . . . . A 589 LYS HD2 . 31112 1 498 . 1 . 1 40 40 LYS HD3 H 1 1.424 0.00 . . . . . . A 589 LYS HD3 . 31112 1 499 . 1 . 1 40 40 LYS HE2 H 1 2.997 0.00 . . . . . . A 589 LYS HE2 . 31112 1 500 . 1 . 1 40 40 LYS HE3 H 1 2.997 0.00 . . . . . . A 589 LYS HE3 . 31112 1 501 . 1 . 1 40 40 LYS HZ1 H 1 7.533 0.00 . . . . . . A 589 LYS HZ1 . 31112 1 502 . 1 . 1 40 40 LYS HZ2 H 1 7.533 0.00 . . . . . . A 589 LYS HZ2 . 31112 1 503 . 1 . 1 40 40 LYS HZ3 H 1 7.533 0.00 . . . . . . A 589 LYS HZ3 . 31112 1 504 . 1 . 1 40 40 LYS CA C 13 56.557 0.00 . . . . . . A 589 LYS CA . 31112 1 505 . 1 . 1 40 40 LYS CB C 13 32.823 0.00 . . . . . . A 589 LYS CB . 31112 1 506 . 1 . 1 40 40 LYS CG C 13 25.027 0.00 . . . . . . A 589 LYS CG . 31112 1 507 . 1 . 1 40 40 LYS CD C 13 29.201 0.00 . . . . . . A 589 LYS CD . 31112 1 508 . 1 . 1 40 40 LYS CE C 13 42.365 0.00 . . . . . . A 589 LYS CE . 31112 1 509 . 1 . 1 40 40 LYS N N 15 120.239 0.00 . . . . . . A 589 LYS N . 31112 1 510 . 1 . 1 41 41 LEU H H 1 8.155 0.00 . . . . . . A 590 LEU H . 31112 1 511 . 1 . 1 41 41 LEU HA H 1 4.388 0.00 . . . . . . A 590 LEU HA . 31112 1 512 . 1 . 1 41 41 LEU HB2 H 1 1.611 0.00 . . . . . . A 590 LEU HB2 . 31112 1 513 . 1 . 1 41 41 LEU HB3 H 1 1.611 0.00 . . . . . . A 590 LEU HB3 . 31112 1 514 . 1 . 1 41 41 LEU HG H 1 1.595 0.00 . . . . . . A 590 LEU HG . 31112 1 515 . 1 . 1 41 41 LEU HD11 H 1 0.912 0.00 . . . . . . A 590 LEU HD11 . 31112 1 516 . 1 . 1 41 41 LEU HD12 H 1 0.912 0.00 . . . . . . A 590 LEU HD12 . 31112 1 517 . 1 . 1 41 41 LEU HD13 H 1 0.912 0.00 . . . . . . A 590 LEU HD13 . 31112 1 518 . 1 . 1 41 41 LEU HD21 H 1 0.866 0.00 . . . . . . A 590 LEU HD21 . 31112 1 519 . 1 . 1 41 41 LEU HD22 H 1 0.866 0.00 . . . . . . A 590 LEU HD22 . 31112 1 520 . 1 . 1 41 41 LEU HD23 H 1 0.866 0.00 . . . . . . A 590 LEU HD23 . 31112 1 521 . 1 . 1 41 41 LEU CA C 13 55.136 0.00 . . . . . . A 590 LEU CA . 31112 1 522 . 1 . 1 41 41 LEU CB C 13 42.737 0.00 . . . . . . A 590 LEU CB . 31112 1 523 . 1 . 1 41 41 LEU CG C 13 27.227 0.00 . . . . . . A 590 LEU CG . 31112 1 524 . 1 . 1 41 41 LEU CD1 C 13 25.051 0.00 . . . . . . A 590 LEU CD1 . 31112 1 525 . 1 . 1 41 41 LEU CD2 C 13 23.782 0.00 . . . . . . A 590 LEU CD2 . 31112 1 526 . 1 . 1 41 41 LEU N N 15 122.149 0.00 . . . . . . A 590 LEU N . 31112 1 527 . 1 . 1 42 42 LEU H H 1 7.995 0.00 . . . . . . A 591 LEU H . 31112 1 528 . 1 . 1 42 42 LEU HA H 1 4.326 0.00 . . . . . . A 591 LEU HA . 31112 1 529 . 1 . 1 42 42 LEU HB2 H 1 1.620 0.01 . . . . . . A 591 LEU HB2 . 31112 1 530 . 1 . 1 42 42 LEU HB3 H 1 1.620 0.01 . . . . . . A 591 LEU HB3 . 31112 1 531 . 1 . 1 42 42 LEU HG H 1 1.639 0.00 . . . . . . A 591 LEU HG . 31112 1 532 . 1 . 1 42 42 LEU HD11 H 1 0.909 0.00 . . . . . . A 591 LEU HD11 . 31112 1 533 . 1 . 1 42 42 LEU HD12 H 1 0.909 0.00 . . . . . . A 591 LEU HD12 . 31112 1 534 . 1 . 1 42 42 LEU HD13 H 1 0.909 0.00 . . . . . . A 591 LEU HD13 . 31112 1 535 . 1 . 1 42 42 LEU HD21 H 1 0.867 0.00 . . . . . . A 591 LEU HD21 . 31112 1 536 . 1 . 1 42 42 LEU HD22 H 1 0.867 0.00 . . . . . . A 591 LEU HD22 . 31112 1 537 . 1 . 1 42 42 LEU HD23 H 1 0.867 0.00 . . . . . . A 591 LEU HD23 . 31112 1 538 . 1 . 1 42 42 LEU CA C 13 54.735 0.00 . . . . . . A 591 LEU CA . 31112 1 539 . 1 . 1 42 42 LEU CB C 13 42.789 0.00 . . . . . . A 591 LEU CB . 31112 1 540 . 1 . 1 42 42 LEU CG C 13 27.120 0.00 . . . . . . A 591 LEU CG . 31112 1 541 . 1 . 1 42 42 LEU CD1 C 13 25.321 0.00 . . . . . . A 591 LEU CD1 . 31112 1 542 . 1 . 1 42 42 LEU CD2 C 13 23.627 0.00 . . . . . . A 591 LEU CD2 . 31112 1 543 . 1 . 1 42 42 LEU N N 15 123.963 0.00 . . . . . . A 591 LEU N . 31112 1 stop_ save_