################################### # 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 31113 _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' . . . 31113 1 2 '2D 1H-1H NOESY' . . . 31113 1 3 '2D 1H-1H TOCSY' . . . 31113 1 4 '2D 1H-13C HSQC' . . . 31113 1 5 '2D 1H-15N HSQC' . . . 31113 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 8.400 0.00 . . . . . . A 550 ASN H1 . 31113 1 2 . 1 . 1 1 1 ASN HA H 1 4.704 0.01 . . . . . . A 550 ASN HA . 31113 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.831 0.00 . . . . . . A 550 ASN HB2 . 31113 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.734 0.00 . . . . . . A 550 ASN HB3 . 31113 1 5 . 1 . 1 1 1 ASN HD21 H 1 7.606 0.00 . . . . . . A 550 ASN HD21 . 31113 1 6 . 1 . 1 1 1 ASN HD22 H 1 6.920 0.00 . . . . . . A 550 ASN HD22 . 31113 1 7 . 1 . 1 1 1 ASN CA C 13 53.511 0.00 . . . . . . A 550 ASN CA . 31113 1 8 . 1 . 1 1 1 ASN CB C 13 39.213 0.01 . . . . . . A 550 ASN CB . 31113 1 9 . 1 . 1 1 1 ASN N N 15 124.545 0.00 . . . . . . A 550 ASN N . 31113 1 10 . 1 . 1 1 1 ASN ND2 N 15 112.857 0.00 . . . . . . A 550 ASN ND2 . 31113 1 11 . 1 . 1 2 2 ASP H H 1 8.443 0.00 . . . . . . A 551 ASP H . 31113 1 12 . 1 . 1 2 2 ASP HA H 1 4.569 0.01 . . . . . . A 551 ASP HA . 31113 1 13 . 1 . 1 2 2 ASP HB2 H 1 2.647 0.00 . . . . . . A 551 ASP HB2 . 31113 1 14 . 1 . 1 2 2 ASP HB3 H 1 2.647 0.00 . . . . . . A 551 ASP HB3 . 31113 1 15 . 1 . 1 2 2 ASP CA C 13 54.471 0.00 . . . . . . A 551 ASP CA . 31113 1 16 . 1 . 1 2 2 ASP CB C 13 41.068 0.00 . . . . . . A 551 ASP CB . 31113 1 17 . 1 . 1 2 2 ASP N N 15 119.993 0.00 . . . . . . A 551 ASP N . 31113 1 18 . 1 . 1 3 3 HIS H H 1 8.381 0.00 . . . . . . A 552 HIS H . 31113 1 19 . 1 . 1 3 3 HIS HA H 1 4.674 0.00 . . . . . . A 552 HIS HA . 31113 1 20 . 1 . 1 3 3 HIS HB2 H 1 3.295 0.01 . . . . . . A 552 HIS HB2 . 31113 1 21 . 1 . 1 3 3 HIS HB3 H 1 3.210 0.00 . . . . . . A 552 HIS HB3 . 31113 1 22 . 1 . 1 3 3 HIS HD2 H 1 7.253 0.01 . . . . . . A 552 HIS HD2 . 31113 1 23 . 1 . 1 3 3 HIS HE1 H 1 8.499 0.01 . . . . . . A 552 HIS HE1 . 31113 1 24 . 1 . 1 3 3 HIS CA C 13 55.824 0.00 . . . . . . A 552 HIS CA . 31113 1 25 . 1 . 1 3 3 HIS CB C 13 29.079 0.00 . . . . . . A 552 HIS CB . 31113 1 26 . 1 . 1 3 3 HIS CD2 C 13 120.165 0.00 . . . . . . A 552 HIS CD2 . 31113 1 27 . 1 . 1 3 3 HIS CE1 C 13 136.816 0.00 . . . . . . A 552 HIS CE1 . 31113 1 28 . 1 . 1 3 3 HIS N N 15 118.194 0.00 . . . . . . A 552 HIS N . 31113 1 29 . 1 . 1 4 4 GLN H H 1 8.357 0.00 . . . . . . A 553 GLN H . 31113 1 30 . 1 . 1 4 4 GLN HA H 1 4.313 0.00 . . . . . . A 553 GLN HA . 31113 1 31 . 1 . 1 4 4 GLN HB2 H 1 2.075 0.00 . . . . . . A 553 GLN HB2 . 31113 1 32 . 1 . 1 4 4 GLN HB3 H 1 1.988 0.00 . . . . . . A 553 GLN HB3 . 31113 1 33 . 1 . 1 4 4 GLN HG2 H 1 2.333 0.00 . . . . . . A 553 GLN HG2 . 31113 1 34 . 1 . 1 4 4 GLN HG3 H 1 2.333 0.00 . . . . . . A 553 GLN HG3 . 31113 1 35 . 1 . 1 4 4 GLN HE21 H 1 7.579 0.00 . . . . . . A 553 GLN HE21 . 31113 1 36 . 1 . 1 4 4 GLN HE22 H 1 6.841 0.00 . . . . . . A 553 GLN HE22 . 31113 1 37 . 1 . 1 4 4 GLN CA C 13 56.307 0.00 . . . . . . A 553 GLN CA . 31113 1 38 . 1 . 1 4 4 GLN CB C 13 29.809 0.00 . . . . . . A 553 GLN CB . 31113 1 39 . 1 . 1 4 4 GLN CG C 13 34.014 0.00 . . . . . . A 553 GLN CG . 31113 1 40 . 1 . 1 4 4 GLN N N 15 121.250 0.00 . . . . . . A 553 GLN N . 31113 1 41 . 1 . 1 4 4 GLN NE2 N 15 112.450 0.00 . . . . . . A 553 GLN NE2 . 31113 1 42 . 1 . 1 5 5 ASP H H 1 8.502 0.00 . . . . . . A 554 ASP H . 31113 1 43 . 1 . 1 5 5 ASP HA H 1 4.622 0.01 . . . . . . A 554 ASP HA . 31113 1 44 . 1 . 1 5 5 ASP HB2 H 1 2.782 0.00 . . . . . . A 554 ASP HB2 . 31113 1 45 . 1 . 1 5 5 ASP HB3 H 1 2.651 0.01 . . . . . . A 554 ASP HB3 . 31113 1 46 . 1 . 1 5 5 ASP CA C 13 54.392 0.00 . . . . . . A 554 ASP CA . 31113 1 47 . 1 . 1 5 5 ASP CB C 13 41.373 0.00 . . . . . . A 554 ASP CB . 31113 1 48 . 1 . 1 5 5 ASP N N 15 121.759 0.00 . . . . . . A 554 ASP N . 31113 1 49 . 1 . 1 6 6 LEU H H 1 8.327 0.00 . . . . . . A 555 LEU H . 31113 1 50 . 1 . 1 6 6 LEU HA H 1 4.308 0.00 . . . . . . A 555 LEU HA . 31113 1 51 . 1 . 1 6 6 LEU HB2 H 1 1.685 0.01 . . . . . . A 555 LEU HB2 . 31113 1 52 . 1 . 1 6 6 LEU HB3 H 1 1.657 0.00 . . . . . . A 555 LEU HB3 . 31113 1 53 . 1 . 1 6 6 LEU HG H 1 1.699 0.00 . . . . . . A 555 LEU HG . 31113 1 54 . 1 . 1 6 6 LEU HD11 H 1 0.925 0.01 . . . . . . A 555 LEU HD11 . 31113 1 55 . 1 . 1 6 6 LEU HD12 H 1 0.925 0.01 . . . . . . A 555 LEU HD12 . 31113 1 56 . 1 . 1 6 6 LEU HD13 H 1 0.925 0.01 . . . . . . A 555 LEU HD13 . 31113 1 57 . 1 . 1 6 6 LEU HD21 H 1 0.872 0.00 . . . . . . A 555 LEU HD21 . 31113 1 58 . 1 . 1 6 6 LEU HD22 H 1 0.872 0.00 . . . . . . A 555 LEU HD22 . 31113 1 59 . 1 . 1 6 6 LEU HD23 H 1 0.872 0.00 . . . . . . A 555 LEU HD23 . 31113 1 60 . 1 . 1 6 6 LEU CA C 13 55.898 0.00 . . . . . . A 555 LEU CA . 31113 1 61 . 1 . 1 6 6 LEU CB C 13 42.131 0.01 . . . . . . A 555 LEU CB . 31113 1 62 . 1 . 1 6 6 LEU CG C 13 27.240 0.00 . . . . . . A 555 LEU CG . 31113 1 63 . 1 . 1 6 6 LEU CD1 C 13 25.160 0.00 . . . . . . A 555 LEU CD1 . 31113 1 64 . 1 . 1 6 6 LEU CD2 C 13 23.615 0.00 . . . . . . A 555 LEU CD2 . 31113 1 65 . 1 . 1 6 6 LEU N N 15 123.278 0.00 . . . . . . A 555 LEU N . 31113 1 66 . 1 . 1 7 7 ARG H H 1 8.295 0.00 . . . . . . A 556 ARG H . 31113 1 67 . 1 . 1 7 7 ARG HA H 1 4.244 0.00 . . . . . . A 556 ARG HA . 31113 1 68 . 1 . 1 7 7 ARG HB2 H 1 1.872 0.00 . . . . . . A 556 ARG HB2 . 31113 1 69 . 1 . 1 7 7 ARG HB3 H 1 1.872 0.00 . . . . . . A 556 ARG HB3 . 31113 1 70 . 1 . 1 7 7 ARG HG2 H 1 1.669 0.01 . . . . . . A 556 ARG HG2 . 31113 1 71 . 1 . 1 7 7 ARG HG3 H 1 1.669 0.01 . . . . . . A 556 ARG HG3 . 31113 1 72 . 1 . 1 7 7 ARG HD2 H 1 3.234 0.00 . . . . . . A 556 ARG HD2 . 31113 1 73 . 1 . 1 7 7 ARG HD3 H 1 3.234 0.00 . . . . . . A 556 ARG HD3 . 31113 1 74 . 1 . 1 7 7 ARG HE H 1 7.468 0.00 . . . . . . A 556 ARG HE . 31113 1 75 . 1 . 1 7 7 ARG CA C 13 57.128 0.00 . . . . . . A 556 ARG CA . 31113 1 76 . 1 . 1 7 7 ARG CB C 13 30.686 0.00 . . . . . . A 556 ARG CB . 31113 1 77 . 1 . 1 7 7 ARG CG C 13 27.260 0.00 . . . . . . A 556 ARG CG . 31113 1 78 . 1 . 1 7 7 ARG CD C 13 43.540 0.00 . . . . . . A 556 ARG CD . 31113 1 79 . 1 . 1 7 7 ARG N N 15 120.664 0.00 . . . . . . A 556 ARG N . 31113 1 80 . 1 . 1 8 8 GLU H H 1 8.247 0.00 . . . . . . A 557 GLU H . 31113 1 81 . 1 . 1 8 8 GLU HA H 1 4.293 0.00 . . . . . . A 557 GLU HA . 31113 1 82 . 1 . 1 8 8 GLU HB2 H 1 2.083 0.01 . . . . . . A 557 GLU HB2 . 31113 1 83 . 1 . 1 8 8 GLU HB3 H 1 1.997 0.00 . . . . . . A 557 GLU HB3 . 31113 1 84 . 1 . 1 8 8 GLU HG2 H 1 2.307 0.00 . . . . . . A 557 GLU HG2 . 31113 1 85 . 1 . 1 8 8 GLU HG3 H 1 2.253 0.01 . . . . . . A 557 GLU HG3 . 31113 1 86 . 1 . 1 8 8 GLU CA C 13 57.014 0.00 . . . . . . A 557 GLU CA . 31113 1 87 . 1 . 1 8 8 GLU CB C 13 30.265 0.00 . . . . . . A 557 GLU CB . 31113 1 88 . 1 . 1 8 8 GLU CG C 13 36.353 0.00 . . . . . . A 557 GLU CG . 31113 1 89 . 1 . 1 8 8 GLU N N 15 120.669 0.00 . . . . . . A 557 GLU N . 31113 1 90 . 1 . 1 9 9 ILE H H 1 8.088 0.00 . . . . . . A 558 ILE H . 31113 1 91 . 1 . 1 9 9 ILE HA H 1 4.208 0.00 . . . . . . A 558 ILE HA . 31113 1 92 . 1 . 1 9 9 ILE HB H 1 1.941 0.00 . . . . . . A 558 ILE HB . 31113 1 93 . 1 . 1 9 9 ILE HG12 H 1 1.522 0.00 . . . . . . A 558 ILE HG12 . 31113 1 94 . 1 . 1 9 9 ILE HG13 H 1 1.247 0.00 . . . . . . A 558 ILE HG13 . 31113 1 95 . 1 . 1 9 9 ILE HG21 H 1 0.938 0.00 . . . . . . A 558 ILE HG21 . 31113 1 96 . 1 . 1 9 9 ILE HG22 H 1 0.938 0.00 . . . . . . A 558 ILE HG22 . 31113 1 97 . 1 . 1 9 9 ILE HG23 H 1 0.938 0.00 . . . . . . A 558 ILE HG23 . 31113 1 98 . 1 . 1 9 9 ILE HD11 H 1 0.875 0.00 . . . . . . A 558 ILE HD11 . 31113 1 99 . 1 . 1 9 9 ILE HD12 H 1 0.875 0.00 . . . . . . A 558 ILE HD12 . 31113 1 100 . 1 . 1 9 9 ILE HD13 H 1 0.875 0.00 . . . . . . A 558 ILE HD13 . 31113 1 101 . 1 . 1 9 9 ILE CA C 13 62.003 0.00 . . . . . . A 558 ILE CA . 31113 1 102 . 1 . 1 9 9 ILE CB C 13 38.680 0.00 . . . . . . A 558 ILE CB . 31113 1 103 . 1 . 1 9 9 ILE CG1 C 13 27.699 0.00 . . . . . . A 558 ILE CG1 . 31113 1 104 . 1 . 1 9 9 ILE CG2 C 13 17.791 0.00 . . . . . . A 558 ILE CG2 . 31113 1 105 . 1 . 1 9 9 ILE CD1 C 13 13.281 0.00 . . . . . . A 558 ILE CD1 . 31113 1 106 . 1 . 1 9 9 ILE N N 15 120.991 0.00 . . . . . . A 558 ILE N . 31113 1 107 . 1 . 1 10 10 THR H H 1 8.069 0.00 . . . . . . A 559 THR H . 31113 1 108 . 1 . 1 10 10 THR HA H 1 4.348 0.01 . . . . . . A 559 THR HA . 31113 1 109 . 1 . 1 10 10 THR HB H 1 4.316 0.00 . . . . . . A 559 THR HB . 31113 1 110 . 1 . 1 10 10 THR HG21 H 1 1.251 0.00 . . . . . . A 559 THR HG21 . 31113 1 111 . 1 . 1 10 10 THR HG22 H 1 1.251 0.00 . . . . . . A 559 THR HG22 . 31113 1 112 . 1 . 1 10 10 THR HG23 H 1 1.251 0.00 . . . . . . A 559 THR HG23 . 31113 1 113 . 1 . 1 10 10 THR CA C 13 62.340 0.00 . . . . . . A 559 THR CA . 31113 1 114 . 1 . 1 10 10 THR CB C 13 70.001 0.00 . . . . . . A 559 THR CB . 31113 1 115 . 1 . 1 10 10 THR CG2 C 13 21.962 0.00 . . . . . . A 559 THR CG2 . 31113 1 116 . 1 . 1 10 10 THR N N 15 116.320 0.00 . . . . . . A 559 THR N . 31113 1 117 . 1 . 1 11 11 LYS H H 1 8.212 0.00 . . . . . . A 560 LYS H . 31113 1 118 . 1 . 1 11 11 LYS HA H 1 4.283 0.01 . . . . . . A 560 LYS HA . 31113 1 119 . 1 . 1 11 11 LYS HB2 H 1 1.877 0.00 . . . . . . A 560 LYS HB2 . 31113 1 120 . 1 . 1 11 11 LYS HB3 H 1 1.877 0.00 . . . . . . A 560 LYS HB3 . 31113 1 121 . 1 . 1 11 11 LYS HG2 H 1 1.562 0.00 . . . . . . A 560 LYS HG2 . 31113 1 122 . 1 . 1 11 11 LYS HG3 H 1 1.436 0.00 . . . . . . A 560 LYS HG3 . 31113 1 123 . 1 . 1 11 11 LYS HD2 H 1 1.699 0.00 . . . . . . A 560 LYS HD2 . 31113 1 124 . 1 . 1 11 11 LYS HD3 H 1 1.699 0.00 . . . . . . A 560 LYS HD3 . 31113 1 125 . 1 . 1 11 11 LYS HE2 H 1 3.012 0.00 . . . . . . A 560 LYS HE2 . 31113 1 126 . 1 . 1 11 11 LYS HE3 H 1 3.012 0.00 . . . . . . A 560 LYS HE3 . 31113 1 127 . 1 . 1 11 11 LYS CA C 13 57.411 0.00 . . . . . . A 560 LYS CA . 31113 1 128 . 1 . 1 11 11 LYS CB C 13 32.382 0.00 . . . . . . A 560 LYS CB . 31113 1 129 . 1 . 1 11 11 LYS CG C 13 24.598 0.01 . . . . . . A 560 LYS CG . 31113 1 130 . 1 . 1 11 11 LYS CD C 13 29.264 0.00 . . . . . . A 560 LYS CD . 31113 1 131 . 1 . 1 11 11 LYS CE C 13 42.280 0.00 . . . . . . A 560 LYS CE . 31113 1 132 . 1 . 1 11 11 LYS N N 15 123.024 0.00 . . . . . . A 560 LYS N . 31113 1 133 . 1 . 1 12 12 ASP H H 1 8.246 0.00 . . . . . . A 561 ASP H . 31113 1 134 . 1 . 1 12 12 ASP HA H 1 4.643 0.01 . . . . . . A 561 ASP HA . 31113 1 135 . 1 . 1 12 12 ASP HB2 H 1 2.765 0.00 . . . . . . A 561 ASP HB2 . 31113 1 136 . 1 . 1 12 12 ASP HB3 H 1 2.687 0.01 . . . . . . A 561 ASP HB3 . 31113 1 137 . 1 . 1 12 12 ASP CA C 13 55.003 0.00 . . . . . . A 561 ASP CA . 31113 1 138 . 1 . 1 12 12 ASP CB C 13 41.512 0.01 . . . . . . A 561 ASP CB . 31113 1 139 . 1 . 1 12 12 ASP N N 15 120.571 0.00 . . . . . . A 561 ASP N . 31113 1 140 . 1 . 1 13 13 SER H H 1 8.317 0.00 . . . . . . A 562 SER H . 31113 1 141 . 1 . 1 13 13 SER HA H 1 4.361 0.00 . . . . . . A 562 SER HA . 31113 1 142 . 1 . 1 13 13 SER HB2 H 1 4.013 0.00 . . . . . . A 562 SER HB2 . 31113 1 143 . 1 . 1 13 13 SER HB3 H 1 3.947 0.00 . . . . . . A 562 SER HB3 . 31113 1 144 . 1 . 1 13 13 SER CA C 13 59.952 0.00 . . . . . . A 562 SER CA . 31113 1 145 . 1 . 1 13 13 SER CB C 13 63.608 0.00 . . . . . . A 562 SER CB . 31113 1 146 . 1 . 1 13 13 SER N N 15 117.370 0.00 . . . . . . A 562 SER N . 31113 1 147 . 1 . 1 14 14 LYS H H 1 8.351 0.00 . . . . . . A 563 LYS H . 31113 1 148 . 1 . 1 14 14 LYS HA H 1 4.177 0.00 . . . . . . A 563 LYS HA . 31113 1 149 . 1 . 1 14 14 LYS HB2 H 1 1.918 0.01 . . . . . . A 563 LYS HB2 . 31113 1 150 . 1 . 1 14 14 LYS HB3 H 1 1.918 0.01 . . . . . . A 563 LYS HB3 . 31113 1 151 . 1 . 1 14 14 LYS HG2 H 1 1.450 0.00 . . . . . . A 563 LYS HG2 . 31113 1 152 . 1 . 1 14 14 LYS HG3 H 1 1.450 0.00 . . . . . . A 563 LYS HG3 . 31113 1 153 . 1 . 1 14 14 LYS HD2 H 1 1.710 0.00 . . . . . . A 563 LYS HD2 . 31113 1 154 . 1 . 1 14 14 LYS HD3 H 1 1.710 0.00 . . . . . . A 563 LYS HD3 . 31113 1 155 . 1 . 1 14 14 LYS HE2 H 1 3.011 0.01 . . . . . . A 563 LYS HE2 . 31113 1 156 . 1 . 1 14 14 LYS HE3 H 1 3.011 0.01 . . . . . . A 563 LYS HE3 . 31113 1 157 . 1 . 1 14 14 LYS CA C 13 58.744 0.00 . . . . . . A 563 LYS CA . 31113 1 158 . 1 . 1 14 14 LYS CB C 13 32.417 0.00 . . . . . . A 563 LYS CB . 31113 1 159 . 1 . 1 14 14 LYS CG C 13 24.857 0.00 . . . . . . A 563 LYS CG . 31113 1 160 . 1 . 1 14 14 LYS CD C 13 29.049 0.00 . . . . . . A 563 LYS CD . 31113 1 161 . 1 . 1 14 14 LYS CE C 13 42.281 0.00 . . . . . . A 563 LYS CE . 31113 1 162 . 1 . 1 14 14 LYS N N 15 123.035 0.00 . . . . . . A 563 LYS N . 31113 1 163 . 1 . 1 15 15 MET H H 1 8.208 0.00 . . . . . . A 564 MET H . 31113 1 164 . 1 . 1 15 15 MET HA H 1 4.365 0.00 . . . . . . A 564 MET HA . 31113 1 165 . 1 . 1 15 15 MET HB2 H 1 2.163 0.00 . . . . . . A 564 MET HB2 . 31113 1 166 . 1 . 1 15 15 MET HB3 H 1 2.119 0.01 . . . . . . A 564 MET HB3 . 31113 1 167 . 1 . 1 15 15 MET HG2 H 1 2.715 0.00 . . . . . . A 564 MET HG2 . 31113 1 168 . 1 . 1 15 15 MET HG3 H 1 2.612 0.01 . . . . . . A 564 MET HG3 . 31113 1 169 . 1 . 1 15 15 MET HE1 H 1 2.112 0.00 . . . . . . A 564 MET HE1 . 31113 1 170 . 1 . 1 15 15 MET HE2 H 1 2.112 0.00 . . . . . . A 564 MET HE2 . 31113 1 171 . 1 . 1 15 15 MET HE3 H 1 2.112 0.00 . . . . . . A 564 MET HE3 . 31113 1 172 . 1 . 1 15 15 MET CA C 13 57.247 0.00 . . . . . . A 564 MET CA . 31113 1 173 . 1 . 1 15 15 MET CB C 13 32.400 0.00 . . . . . . A 564 MET CB . 31113 1 174 . 1 . 1 15 15 MET CG C 13 32.456 0.00 . . . . . . A 564 MET CG . 31113 1 175 . 1 . 1 15 15 MET CE C 13 17.339 0.00 . . . . . . A 564 MET CE . 31113 1 176 . 1 . 1 15 15 MET N N 15 118.644 0.00 . . . . . . A 564 MET N . 31113 1 177 . 1 . 1 16 16 GLN H H 1 8.215 0.00 . . . . . . A 565 GLN H . 31113 1 178 . 1 . 1 16 16 GLN HA H 1 4.160 0.00 . . . . . . A 565 GLN HA . 31113 1 179 . 1 . 1 16 16 GLN HB2 H 1 2.150 0.00 . . . . . . A 565 GLN HB2 . 31113 1 180 . 1 . 1 16 16 GLN HB3 H 1 2.150 0.00 . . . . . . A 565 GLN HB3 . 31113 1 181 . 1 . 1 16 16 GLN HG2 H 1 2.471 0.01 . . . . . . A 565 GLN HG2 . 31113 1 182 . 1 . 1 16 16 GLN HG3 H 1 2.386 0.01 . . . . . . A 565 GLN HG3 . 31113 1 183 . 1 . 1 16 16 GLN HE21 H 1 7.480 0.00 . . . . . . A 565 GLN HE21 . 31113 1 184 . 1 . 1 16 16 GLN HE22 H 1 6.852 0.00 . . . . . . A 565 GLN HE22 . 31113 1 185 . 1 . 1 16 16 GLN CA C 13 58.182 0.00 . . . . . . A 565 GLN CA . 31113 1 186 . 1 . 1 16 16 GLN CB C 13 28.970 0.00 . . . . . . A 565 GLN CB . 31113 1 187 . 1 . 1 16 16 GLN CG C 13 34.260 0.01 . . . . . . A 565 GLN CG . 31113 1 188 . 1 . 1 16 16 GLN N N 15 120.476 0.00 . . . . . . A 565 GLN N . 31113 1 189 . 1 . 1 16 16 GLN NE2 N 15 111.654 0.00 . . . . . . A 565 GLN NE2 . 31113 1 190 . 1 . 1 17 17 LYS H H 1 8.119 0.01 . . . . . . A 566 LYS H . 31113 1 191 . 1 . 1 17 17 LYS HA H 1 4.129 0.01 . . . . . . A 566 LYS HA . 31113 1 192 . 1 . 1 17 17 LYS HB2 H 1 1.917 0.00 . . . . . . A 566 LYS HB2 . 31113 1 193 . 1 . 1 17 17 LYS HB3 H 1 1.917 0.00 . . . . . . A 566 LYS HB3 . 31113 1 194 . 1 . 1 17 17 LYS HG2 H 1 1.491 0.00 . . . . . . A 566 LYS HG2 . 31113 1 195 . 1 . 1 17 17 LYS HG3 H 1 1.491 0.00 . . . . . . A 566 LYS HG3 . 31113 1 196 . 1 . 1 17 17 LYS HD2 H 1 1.703 0.00 . . . . . . A 566 LYS HD2 . 31113 1 197 . 1 . 1 17 17 LYS HD3 H 1 1.703 0.00 . . . . . . A 566 LYS HD3 . 31113 1 198 . 1 . 1 17 17 LYS HE2 H 1 3.014 0.01 . . . . . . A 566 LYS HE2 . 31113 1 199 . 1 . 1 17 17 LYS HE3 H 1 3.014 0.01 . . . . . . A 566 LYS HE3 . 31113 1 200 . 1 . 1 17 17 LYS CA C 13 58.888 0.00 . . . . . . A 566 LYS CA . 31113 1 201 . 1 . 1 17 17 LYS CB C 13 32.448 0.00 . . . . . . A 566 LYS CB . 31113 1 202 . 1 . 1 17 17 LYS CG C 13 24.872 0.00 . . . . . . A 566 LYS CG . 31113 1 203 . 1 . 1 17 17 LYS CD C 13 29.449 0.00 . . . . . . A 566 LYS CD . 31113 1 204 . 1 . 1 17 17 LYS CE C 13 42.304 0.00 . . . . . . A 566 LYS CE . 31113 1 205 . 1 . 1 17 17 LYS N N 15 120.355 0.00 . . . . . . A 566 LYS N . 31113 1 206 . 1 . 1 18 18 LEU H H 1 8.032 0.00 . . . . . . A 567 LEU H . 31113 1 207 . 1 . 1 18 18 LEU HA H 1 4.241 0.00 . . . . . . A 567 LEU HA . 31113 1 208 . 1 . 1 18 18 LEU HB2 H 1 1.821 0.00 . . . . . . A 567 LEU HB2 . 31113 1 209 . 1 . 1 18 18 LEU HB3 H 1 1.634 0.00 . . . . . . A 567 LEU HB3 . 31113 1 210 . 1 . 1 18 18 LEU HG H 1 1.757 0.00 . . . . . . A 567 LEU HG . 31113 1 211 . 1 . 1 18 18 LEU HD11 H 1 0.944 0.00 . . . . . . A 567 LEU HD11 . 31113 1 212 . 1 . 1 18 18 LEU HD12 H 1 0.944 0.00 . . . . . . A 567 LEU HD12 . 31113 1 213 . 1 . 1 18 18 LEU HD13 H 1 0.944 0.00 . . . . . . A 567 LEU HD13 . 31113 1 214 . 1 . 1 18 18 LEU HD21 H 1 0.899 0.00 . . . . . . A 567 LEU HD21 . 31113 1 215 . 1 . 1 18 18 LEU HD22 H 1 0.899 0.00 . . . . . . A 567 LEU HD22 . 31113 1 216 . 1 . 1 18 18 LEU HD23 H 1 0.899 0.00 . . . . . . A 567 LEU HD23 . 31113 1 217 . 1 . 1 18 18 LEU CA C 13 57.191 0.00 . . . . . . A 567 LEU CA . 31113 1 218 . 1 . 1 18 18 LEU CB C 13 42.230 0.00 . . . . . . A 567 LEU CB . 31113 1 219 . 1 . 1 18 18 LEU CG C 13 27.186 0.00 . . . . . . A 567 LEU CG . 31113 1 220 . 1 . 1 18 18 LEU CD1 C 13 25.182 0.00 . . . . . . A 567 LEU CD1 . 31113 1 221 . 1 . 1 18 18 LEU CD2 C 13 24.502 0.00 . . . . . . A 567 LEU CD2 . 31113 1 222 . 1 . 1 18 18 LEU N N 15 121.079 0.00 . . . . . . A 567 LEU N . 31113 1 223 . 1 . 1 19 19 ALA H H 1 8.196 0.00 . . . . . . A 568 ALA H . 31113 1 224 . 1 . 1 19 19 ALA HA H 1 4.286 0.00 . . . . . . A 568 ALA HA . 31113 1 225 . 1 . 1 19 19 ALA HB1 H 1 1.527 0.00 . . . . . . A 568 ALA HB1 . 31113 1 226 . 1 . 1 19 19 ALA HB2 H 1 1.527 0.00 . . . . . . A 568 ALA HB2 . 31113 1 227 . 1 . 1 19 19 ALA HB3 H 1 1.527 0.00 . . . . . . A 568 ALA HB3 . 31113 1 228 . 1 . 1 19 19 ALA CA C 13 54.180 0.00 . . . . . . A 568 ALA CA . 31113 1 229 . 1 . 1 19 19 ALA CB C 13 18.488 0.00 . . . . . . A 568 ALA CB . 31113 1 230 . 1 . 1 19 19 ALA N N 15 123.734 0.00 . . . . . . A 568 ALA N . 31113 1 231 . 1 . 1 20 20 LEU H H 1 8.072 0.00 . . . . . . A 569 LEU H . 31113 1 232 . 1 . 1 20 20 LEU HA H 1 4.206 0.00 . . . . . . A 569 LEU HA . 31113 1 233 . 1 . 1 20 20 LEU HB2 H 1 1.826 0.00 . . . . . . A 569 LEU HB2 . 31113 1 234 . 1 . 1 20 20 LEU HB3 H 1 1.712 0.00 . . . . . . A 569 LEU HB3 . 31113 1 235 . 1 . 1 20 20 LEU HG H 1 1.866 0.00 . . . . . . A 569 LEU HG . 31113 1 236 . 1 . 1 20 20 LEU HD11 H 1 0.892 0.00 . . . . . . A 569 LEU HD11 . 31113 1 237 . 1 . 1 20 20 LEU HD12 H 1 0.892 0.00 . . . . . . A 569 LEU HD12 . 31113 1 238 . 1 . 1 20 20 LEU HD13 H 1 0.892 0.00 . . . . . . A 569 LEU HD13 . 31113 1 239 . 1 . 1 20 20 LEU HD21 H 1 0.910 0.00 . . . . . . A 569 LEU HD21 . 31113 1 240 . 1 . 1 20 20 LEU HD22 H 1 0.910 0.00 . . . . . . A 569 LEU HD22 . 31113 1 241 . 1 . 1 20 20 LEU HD23 H 1 0.910 0.00 . . . . . . A 569 LEU HD23 . 31113 1 242 . 1 . 1 20 20 LEU CA C 13 57.254 0.00 . . . . . . A 569 LEU CA . 31113 1 243 . 1 . 1 20 20 LEU CB C 13 42.018 0.01 . . . . . . A 569 LEU CB . 31113 1 244 . 1 . 1 20 20 LEU CG C 13 27.081 0.00 . . . . . . A 569 LEU CG . 31113 1 245 . 1 . 1 20 20 LEU CD1 C 13 25.582 0.00 . . . . . . A 569 LEU CD1 . 31113 1 246 . 1 . 1 20 20 LEU CD2 C 13 24.562 0.00 . . . . . . A 569 LEU CD2 . 31113 1 247 . 1 . 1 20 20 LEU N N 15 116.862 0.00 . . . . . . A 569 LEU N . 31113 1 248 . 1 . 1 21 21 ALA H H 1 8.135 0.00 . . . . . . A 570 ALA H . 31113 1 249 . 1 . 1 21 21 ALA HA H 1 4.118 0.00 . . . . . . A 570 ALA HA . 31113 1 250 . 1 . 1 21 21 ALA HB1 H 1 1.526 0.00 . . . . . . A 570 ALA HB1 . 31113 1 251 . 1 . 1 21 21 ALA HB2 H 1 1.526 0.00 . . . . . . A 570 ALA HB2 . 31113 1 252 . 1 . 1 21 21 ALA HB3 H 1 1.526 0.00 . . . . . . A 570 ALA HB3 . 31113 1 253 . 1 . 1 21 21 ALA CA C 13 55.247 0.00 . . . . . . A 570 ALA CA . 31113 1 254 . 1 . 1 21 21 ALA CB C 13 18.760 0.00 . . . . . . A 570 ALA CB . 31113 1 255 . 1 . 1 21 21 ALA N N 15 121.234 0.00 . . . . . . A 570 ALA N . 31113 1 256 . 1 . 1 22 22 GLY H H 1 8.191 0.01 . . . . . . A 571 GLY H . 31113 1 257 . 1 . 1 22 22 GLY HA2 H 1 3.985 0.00 . . . . . . A 571 GLY HA2 . 31113 1 258 . 1 . 1 22 22 GLY HA3 H 1 3.899 0.01 . . . . . . A 571 GLY HA3 . 31113 1 259 . 1 . 1 22 22 GLY CA C 13 46.944 0.00 . . . . . . A 571 GLY CA . 31113 1 260 . 1 . 1 22 22 GLY N N 15 105.681 0.00 . . . . . . A 571 GLY N . 31113 1 261 . 1 . 1 23 23 PHE H H 1 8.009 0.00 . . . . . . A 572 PHE H . 31113 1 262 . 1 . 1 23 23 PHE HA H 1 4.310 0.00 . . . . . . A 572 PHE HA . 31113 1 263 . 1 . 1 23 23 PHE HB2 H 1 3.165 0.00 . . . . . . A 572 PHE HB2 . 31113 1 264 . 1 . 1 23 23 PHE HB3 H 1 3.165 0.00 . . . . . . A 572 PHE HB3 . 31113 1 265 . 1 . 1 23 23 PHE HD1 H 1 7.090 0.00 . . . . . . A 572 PHE HD1 . 31113 1 266 . 1 . 1 23 23 PHE HD2 H 1 7.090 0.00 . . . . . . A 572 PHE HD2 . 31113 1 267 . 1 . 1 23 23 PHE HE1 H 1 7.088 0.00 . . . . . . A 572 PHE HE1 . 31113 1 268 . 1 . 1 23 23 PHE HE2 H 1 7.088 0.00 . . . . . . A 572 PHE HE2 . 31113 1 269 . 1 . 1 23 23 PHE HZ H 1 7.001 0.00 . . . . . . A 572 PHE HZ . 31113 1 270 . 1 . 1 23 23 PHE CA C 13 60.615 0.00 . . . . . . A 572 PHE CA . 31113 1 271 . 1 . 1 23 23 PHE CB C 13 39.700 0.00 . . . . . . A 572 PHE CB . 31113 1 272 . 1 . 1 23 23 PHE CD2 C 13 131.807 0.00 . . . . . . A 572 PHE CD2 . 31113 1 273 . 1 . 1 23 23 PHE CE1 C 13 130.881 0.02 . . . . . . A 572 PHE CE1 . 31113 1 274 . 1 . 1 23 23 PHE CZ C 13 129.007 0.02 . . . . . . A 572 PHE CZ . 31113 1 275 . 1 . 1 23 23 PHE N N 15 123.171 0.00 . . . . . . A 572 PHE N . 31113 1 276 . 1 . 1 24 24 LEU H H 1 8.342 0.00 . . . . . . A 573 LEU H . 31113 1 277 . 1 . 1 24 24 LEU HA H 1 3.823 0.00 . . . . . . A 573 LEU HA . 31113 1 278 . 1 . 1 24 24 LEU HB2 H 1 1.806 0.00 . . . . . . A 573 LEU HB2 . 31113 1 279 . 1 . 1 24 24 LEU HB3 H 1 1.457 0.01 . . . . . . A 573 LEU HB3 . 31113 1 280 . 1 . 1 24 24 LEU HG H 1 1.836 0.00 . . . . . . A 573 LEU HG . 31113 1 281 . 1 . 1 24 24 LEU HD11 H 1 0.885 0.00 . . . . . . A 573 LEU HD11 . 31113 1 282 . 1 . 1 24 24 LEU HD12 H 1 0.885 0.00 . . . . . . A 573 LEU HD12 . 31113 1 283 . 1 . 1 24 24 LEU HD13 H 1 0.885 0.00 . . . . . . A 573 LEU HD13 . 31113 1 284 . 1 . 1 24 24 LEU HD21 H 1 0.832 0.00 . . . . . . A 573 LEU HD21 . 31113 1 285 . 1 . 1 24 24 LEU HD22 H 1 0.832 0.00 . . . . . . A 573 LEU HD22 . 31113 1 286 . 1 . 1 24 24 LEU HD23 H 1 0.832 0.00 . . . . . . A 573 LEU HD23 . 31113 1 287 . 1 . 1 24 24 LEU CA C 13 57.214 0.00 . . . . . . A 573 LEU CA . 31113 1 288 . 1 . 1 24 24 LEU CB C 13 41.257 0.01 . . . . . . A 573 LEU CB . 31113 1 289 . 1 . 1 24 24 LEU CG C 13 27.084 0.00 . . . . . . A 573 LEU CG . 31113 1 290 . 1 . 1 24 24 LEU CD1 C 13 24.917 0.00 . . . . . . A 573 LEU CD1 . 31113 1 291 . 1 . 1 24 24 LEU CD2 C 13 22.967 0.00 . . . . . . A 573 LEU CD2 . 31113 1 292 . 1 . 1 24 24 LEU N N 15 118.031 0.00 . . . . . . A 573 LEU N . 31113 1 293 . 1 . 1 25 25 LYS H H 1 7.677 0.00 . . . . . . A 574 LYS H . 31113 1 294 . 1 . 1 25 25 LYS HA H 1 4.040 0.00 . . . . . . A 574 LYS HA . 31113 1 295 . 1 . 1 25 25 LYS HB2 H 1 1.913 0.00 . . . . . . A 574 LYS HB2 . 31113 1 296 . 1 . 1 25 25 LYS HB3 H 1 1.840 0.00 . . . . . . A 574 LYS HB3 . 31113 1 297 . 1 . 1 25 25 LYS HG2 H 1 1.564 0.00 . . . . . . A 574 LYS HG2 . 31113 1 298 . 1 . 1 25 25 LYS HG3 H 1 1.456 0.00 . . . . . . A 574 LYS HG3 . 31113 1 299 . 1 . 1 25 25 LYS HD2 H 1 1.722 0.00 . . . . . . A 574 LYS HD2 . 31113 1 300 . 1 . 1 25 25 LYS HD3 H 1 1.722 0.00 . . . . . . A 574 LYS HD3 . 31113 1 301 . 1 . 1 25 25 LYS HE2 H 1 3.014 0.00 . . . . . . A 574 LYS HE2 . 31113 1 302 . 1 . 1 25 25 LYS HE3 H 1 3.014 0.00 . . . . . . A 574 LYS HE3 . 31113 1 303 . 1 . 1 25 25 LYS CA C 13 59.008 0.00 . . . . . . A 574 LYS CA . 31113 1 304 . 1 . 1 25 25 LYS CB C 13 32.877 0.00 . . . . . . A 574 LYS CB . 31113 1 305 . 1 . 1 25 25 LYS CG C 13 25.318 0.00 . . . . . . A 574 LYS CG . 31113 1 306 . 1 . 1 25 25 LYS CD C 13 29.418 0.00 . . . . . . A 574 LYS CD . 31113 1 307 . 1 . 1 25 25 LYS CE C 13 42.265 0.00 . . . . . . A 574 LYS CE . 31113 1 308 . 1 . 1 25 25 LYS N N 15 117.832 0.00 . . . . . . A 574 LYS N . 31113 1 309 . 1 . 1 26 26 LYS H H 1 7.626 0.00 . . . . . . A 575 LYS H . 31113 1 310 . 1 . 1 26 26 LYS HA H 1 4.164 0.01 . . . . . . A 575 LYS HA . 31113 1 311 . 1 . 1 26 26 LYS HB2 H 1 1.905 0.01 . . . . . . A 575 LYS HB2 . 31113 1 312 . 1 . 1 26 26 LYS HB3 H 1 1.863 0.00 . . . . . . A 575 LYS HB3 . 31113 1 313 . 1 . 1 26 26 LYS HG2 H 1 1.546 0.00 . . . . . . A 575 LYS HG2 . 31113 1 314 . 1 . 1 26 26 LYS HG3 H 1 1.458 0.00 . . . . . . A 575 LYS HG3 . 31113 1 315 . 1 . 1 26 26 LYS HD2 H 1 1.691 0.00 . . . . . . A 575 LYS HD2 . 31113 1 316 . 1 . 1 26 26 LYS HD3 H 1 1.691 0.00 . . . . . . A 575 LYS HD3 . 31113 1 317 . 1 . 1 26 26 LYS HE2 H 1 3.009 0.00 . . . . . . A 575 LYS HE2 . 31113 1 318 . 1 . 1 26 26 LYS HE3 H 1 3.009 0.00 . . . . . . A 575 LYS HE3 . 31113 1 319 . 1 . 1 26 26 LYS CA C 13 58.199 0.00 . . . . . . A 575 LYS CA . 31113 1 320 . 1 . 1 26 26 LYS CB C 13 32.892 0.01 . . . . . . A 575 LYS CB . 31113 1 321 . 1 . 1 26 26 LYS CG C 13 25.279 0.01 . . . . . . A 575 LYS CG . 31113 1 322 . 1 . 1 26 26 LYS CD C 13 29.281 0.00 . . . . . . A 575 LYS CD . 31113 1 323 . 1 . 1 26 26 LYS CE C 13 42.327 0.00 . . . . . . A 575 LYS CE . 31113 1 324 . 1 . 1 26 26 LYS N N 15 118.283 0.00 . . . . . . A 575 LYS N . 31113 1 325 . 1 . 1 27 27 ILE H H 1 7.369 0.00 . . . . . . A 576 ILE H . 31113 1 326 . 1 . 1 27 27 ILE HA H 1 4.235 0.01 . . . . . . A 576 ILE HA . 31113 1 327 . 1 . 1 27 27 ILE HB H 1 1.746 0.00 . . . . . . A 576 ILE HB . 31113 1 328 . 1 . 1 27 27 ILE HG12 H 1 1.084 0.00 . . . . . . A 576 ILE HG12 . 31113 1 329 . 1 . 1 27 27 ILE HG13 H 1 0.995 0.00 . . . . . . A 576 ILE HG13 . 31113 1 330 . 1 . 1 27 27 ILE HG21 H 1 0.492 0.00 . . . . . . A 576 ILE HG21 . 31113 1 331 . 1 . 1 27 27 ILE HG22 H 1 0.492 0.00 . . . . . . A 576 ILE HG22 . 31113 1 332 . 1 . 1 27 27 ILE HG23 H 1 0.492 0.00 . . . . . . A 576 ILE HG23 . 31113 1 333 . 1 . 1 27 27 ILE HD11 H 1 0.514 0.00 . . . . . . A 576 ILE HD11 . 31113 1 334 . 1 . 1 27 27 ILE HD12 H 1 0.514 0.00 . . . . . . A 576 ILE HD12 . 31113 1 335 . 1 . 1 27 27 ILE HD13 H 1 0.514 0.00 . . . . . . A 576 ILE HD13 . 31113 1 336 . 1 . 1 27 27 ILE CA C 13 60.832 0.00 . . . . . . A 576 ILE CA . 31113 1 337 . 1 . 1 27 27 ILE CB C 13 38.897 0.00 . . . . . . A 576 ILE CB . 31113 1 338 . 1 . 1 27 27 ILE CG1 C 13 26.300 0.00 . . . . . . A 576 ILE CG1 . 31113 1 339 . 1 . 1 27 27 ILE CG2 C 13 18.078 0.00 . . . . . . A 576 ILE CG2 . 31113 1 340 . 1 . 1 27 27 ILE CD1 C 13 14.641 0.00 . . . . . . A 576 ILE CD1 . 31113 1 341 . 1 . 1 28 28 LYS H H 1 7.676 0.00 . . . . . . A 577 LYS H . 31113 1 342 . 1 . 1 28 28 LYS HA H 1 4.042 0.00 . . . . . . A 577 LYS HA . 31113 1 343 . 1 . 1 28 28 LYS HB2 H 1 1.849 0.01 . . . . . . A 577 LYS HB2 . 31113 1 344 . 1 . 1 28 28 LYS HB3 H 1 1.849 0.01 . . . . . . A 577 LYS HB3 . 31113 1 345 . 1 . 1 28 28 LYS HG2 H 1 1.599 0.00 . . . . . . A 577 LYS HG2 . 31113 1 346 . 1 . 1 28 28 LYS HG3 H 1 1.465 0.00 . . . . . . A 577 LYS HG3 . 31113 1 347 . 1 . 1 28 28 LYS HD2 H 1 1.611 0.00 . . . . . . A 577 LYS HD2 . 31113 1 348 . 1 . 1 28 28 LYS HD3 H 1 1.456 0.01 . . . . . . A 577 LYS HD3 . 31113 1 349 . 1 . 1 28 28 LYS HE2 H 1 3.005 0.00 . . . . . . A 577 LYS HE2 . 31113 1 350 . 1 . 1 28 28 LYS HE3 H 1 3.005 0.00 . . . . . . A 577 LYS HE3 . 31113 1 351 . 1 . 1 28 28 LYS CA C 13 58.106 0.00 . . . . . . A 577 LYS CA . 31113 1 352 . 1 . 1 28 28 LYS CB C 13 32.368 0.00 . . . . . . A 577 LYS CB . 31113 1 353 . 1 . 1 28 28 LYS CG C 13 25.422 0.01 . . . . . . A 577 LYS CG . 31113 1 354 . 1 . 1 28 28 LYS CD C 13 29.372 0.00 . . . . . . A 577 LYS CD . 31113 1 355 . 1 . 1 28 28 LYS CE C 13 42.259 0.00 . . . . . . A 577 LYS CE . 31113 1 356 . 1 . 1 28 28 LYS N N 15 117.947 0.00 . . . . . . A 577 LYS N . 31113 1 357 . 1 . 1 29 29 GLY H H 1 9.163 0.00 . . . . . . A 578 GLY H . 31113 1 358 . 1 . 1 29 29 GLY HA2 H 1 4.141 0.00 . . . . . . A 578 GLY HA2 . 31113 1 359 . 1 . 1 29 29 GLY HA3 H 1 3.877 0.01 . . . . . . A 578 GLY HA3 . 31113 1 360 . 1 . 1 29 29 GLY CA C 13 45.987 0.00 . . . . . . A 578 GLY CA . 31113 1 361 . 1 . 1 30 30 THR H H 1 7.795 0.00 . . . . . . A 579 THR H . 31113 1 362 . 1 . 1 30 30 THR HA H 1 4.774 0.00 . . . . . . A 579 THR HA . 31113 1 363 . 1 . 1 30 30 THR HB H 1 4.467 0.00 . . . . . . A 579 THR HB . 31113 1 364 . 1 . 1 30 30 THR HG21 H 1 1.178 0.00 . . . . . . A 579 THR HG21 . 31113 1 365 . 1 . 1 30 30 THR HG22 H 1 1.178 0.00 . . . . . . A 579 THR HG22 . 31113 1 366 . 1 . 1 30 30 THR HG23 H 1 1.178 0.00 . . . . . . A 579 THR HG23 . 31113 1 367 . 1 . 1 30 30 THR CG2 C 13 21.261 0.00 . . . . . . A 579 THR CG2 . 31113 1 368 . 1 . 1 30 30 THR N N 15 110.081 0.00 . . . . . . A 579 THR N . 31113 1 369 . 1 . 1 31 31 TYR H H 1 8.912 0.00 . . . . . . A 580 TYR H . 31113 1 370 . 1 . 1 31 31 TYR HA H 1 4.496 0.01 . . . . . . A 580 TYR HA . 31113 1 371 . 1 . 1 31 31 TYR HB2 H 1 3.258 0.01 . . . . . . A 580 TYR HB2 . 31113 1 372 . 1 . 1 31 31 TYR HB3 H 1 3.012 0.01 . . . . . . A 580 TYR HB3 . 31113 1 373 . 1 . 1 31 31 TYR HD1 H 1 7.108 0.01 . . . . . . A 580 TYR HD1 . 31113 1 374 . 1 . 1 31 31 TYR HD2 H 1 7.108 0.01 . . . . . . A 580 TYR HD2 . 31113 1 375 . 1 . 1 31 31 TYR HE1 H 1 6.811 0.00 . . . . . . A 580 TYR HE1 . 31113 1 376 . 1 . 1 31 31 TYR HE2 H 1 6.811 0.00 . . . . . . A 580 TYR HE2 . 31113 1 377 . 1 . 1 31 31 TYR CA C 13 60.171 0.00 . . . . . . A 580 TYR CA . 31113 1 378 . 1 . 1 31 31 TYR CB C 13 38.215 0.00 . . . . . . A 580 TYR CB . 31113 1 379 . 1 . 1 31 31 TYR CD1 C 13 133.037 0.01 . . . . . . A 580 TYR CD1 . 31113 1 380 . 1 . 1 31 31 TYR CE1 C 13 118.335 0.01 . . . . . . A 580 TYR CE1 . 31113 1 381 . 1 . 1 32 32 ILE H H 1 7.520 0.00 . . . . . . A 581 ILE H . 31113 1 382 . 1 . 1 32 32 ILE HA H 1 3.526 0.00 . . . . . . A 581 ILE HA . 31113 1 383 . 1 . 1 32 32 ILE HB H 1 1.664 0.01 . . . . . . A 581 ILE HB . 31113 1 384 . 1 . 1 32 32 ILE HG12 H 1 1.274 0.00 . . . . . . A 581 ILE HG12 . 31113 1 385 . 1 . 1 32 32 ILE HG13 H 1 0.966 0.00 . . . . . . A 581 ILE HG13 . 31113 1 386 . 1 . 1 32 32 ILE HG21 H 1 0.754 0.00 . . . . . . A 581 ILE HG21 . 31113 1 387 . 1 . 1 32 32 ILE HG22 H 1 0.754 0.00 . . . . . . A 581 ILE HG22 . 31113 1 388 . 1 . 1 32 32 ILE HG23 H 1 0.754 0.00 . . . . . . A 581 ILE HG23 . 31113 1 389 . 1 . 1 32 32 ILE HD11 H 1 0.723 0.01 . . . . . . A 581 ILE HD11 . 31113 1 390 . 1 . 1 32 32 ILE HD12 H 1 0.723 0.01 . . . . . . A 581 ILE HD12 . 31113 1 391 . 1 . 1 32 32 ILE HD13 H 1 0.723 0.01 . . . . . . A 581 ILE HD13 . 31113 1 392 . 1 . 1 32 32 ILE CA C 13 63.582 0.00 . . . . . . A 581 ILE CA . 31113 1 393 . 1 . 1 32 32 ILE CB C 13 37.514 0.00 . . . . . . A 581 ILE CB . 31113 1 394 . 1 . 1 32 32 ILE CG1 C 13 28.818 0.00 . . . . . . A 581 ILE CG1 . 31113 1 395 . 1 . 1 32 32 ILE CG2 C 13 17.856 0.00 . . . . . . A 581 ILE CG2 . 31113 1 396 . 1 . 1 32 32 ILE CD1 C 13 12.717 0.00 . . . . . . A 581 ILE CD1 . 31113 1 397 . 1 . 1 33 33 GLU H H 1 8.034 0.00 . . . . . . A 582 GLU H . 31113 1 398 . 1 . 1 33 33 GLU HA H 1 3.716 0.00 . . . . . . A 582 GLU HA . 31113 1 399 . 1 . 1 33 33 GLU HB2 H 1 2.265 0.00 . . . . . . A 582 GLU HB2 . 31113 1 400 . 1 . 1 33 33 GLU HB3 H 1 2.051 0.00 . . . . . . A 582 GLU HB3 . 31113 1 401 . 1 . 1 33 33 GLU HG2 H 1 2.145 0.00 . . . . . . A 582 GLU HG2 . 31113 1 402 . 1 . 1 33 33 GLU HG3 H 1 2.145 0.00 . . . . . . A 582 GLU HG3 . 31113 1 403 . 1 . 1 33 33 GLU CA C 13 60.079 0.00 . . . . . . A 582 GLU CA . 31113 1 404 . 1 . 1 33 33 GLU CB C 13 29.649 0.00 . . . . . . A 582 GLU CB . 31113 1 405 . 1 . 1 33 33 GLU CG C 13 36.780 0.00 . . . . . . A 582 GLU CG . 31113 1 406 . 1 . 1 33 33 GLU N N 15 118.627 0.00 . . . . . . A 582 GLU N . 31113 1 407 . 1 . 1 34 34 SER H H 1 7.608 0.00 . . . . . . A 583 SER H . 31113 1 408 . 1 . 1 34 34 SER HA H 1 4.178 0.01 . . . . . . A 583 SER HA . 31113 1 409 . 1 . 1 34 34 SER HB2 H 1 3.981 0.00 . . . . . . A 583 SER HB2 . 31113 1 410 . 1 . 1 34 34 SER HB3 H 1 3.981 0.00 . . . . . . A 583 SER HB3 . 31113 1 411 . 1 . 1 34 34 SER CA C 13 61.652 0.00 . . . . . . A 583 SER CA . 31113 1 412 . 1 . 1 34 34 SER CB C 13 62.808 0.00 . . . . . . A 583 SER CB . 31113 1 413 . 1 . 1 35 35 LEU H H 1 7.929 0.00 . . . . . . A 584 LEU H . 31113 1 414 . 1 . 1 35 35 LEU HA H 1 4.184 0.00 . . . . . . A 584 LEU HA . 31113 1 415 . 1 . 1 35 35 LEU HB2 H 1 1.657 0.00 . . . . . . A 584 LEU HB2 . 31113 1 416 . 1 . 1 35 35 LEU HB3 H 1 1.535 0.01 . . . . . . A 584 LEU HB3 . 31113 1 417 . 1 . 1 35 35 LEU HG H 1 1.528 0.00 . . . . . . A 584 LEU HG . 31113 1 418 . 1 . 1 35 35 LEU HD11 H 1 0.862 0.00 . . . . . . A 584 LEU HD11 . 31113 1 419 . 1 . 1 35 35 LEU HD12 H 1 0.862 0.00 . . . . . . A 584 LEU HD12 . 31113 1 420 . 1 . 1 35 35 LEU HD13 H 1 0.862 0.00 . . . . . . A 584 LEU HD13 . 31113 1 421 . 1 . 1 35 35 LEU HD21 H 1 0.817 0.00 . . . . . . A 584 LEU HD21 . 31113 1 422 . 1 . 1 35 35 LEU HD22 H 1 0.817 0.00 . . . . . . A 584 LEU HD22 . 31113 1 423 . 1 . 1 35 35 LEU HD23 H 1 0.817 0.00 . . . . . . A 584 LEU HD23 . 31113 1 424 . 1 . 1 35 35 LEU CA C 13 57.705 0.00 . . . . . . A 584 LEU CA . 31113 1 425 . 1 . 1 35 35 LEU CB C 13 42.498 0.01 . . . . . . A 584 LEU CB . 31113 1 426 . 1 . 1 35 35 LEU CG C 13 26.925 0.00 . . . . . . A 584 LEU CG . 31113 1 427 . 1 . 1 35 35 LEU CD1 C 13 25.279 0.00 . . . . . . A 584 LEU CD1 . 31113 1 428 . 1 . 1 35 35 LEU CD2 C 13 24.383 0.00 . . . . . . A 584 LEU CD2 . 31113 1 429 . 1 . 1 35 35 LEU N N 15 122.952 0.00 . . . . . . A 584 LEU N . 31113 1 430 . 1 . 1 36 36 LEU H H 1 8.032 0.00 . . . . . . A 585 LEU H . 31113 1 431 . 1 . 1 36 36 LEU HA H 1 4.047 0.00 . . . . . . A 585 LEU HA . 31113 1 432 . 1 . 1 36 36 LEU HB2 H 1 1.928 0.00 . . . . . . A 585 LEU HB2 . 31113 1 433 . 1 . 1 36 36 LEU HB3 H 1 1.411 0.00 . . . . . . A 585 LEU HB3 . 31113 1 434 . 1 . 1 36 36 LEU HG H 1 1.930 0.00 . . . . . . A 585 LEU HG . 31113 1 435 . 1 . 1 36 36 LEU HD11 H 1 0.837 0.00 . . . . . . A 585 LEU HD11 . 31113 1 436 . 1 . 1 36 36 LEU HD12 H 1 0.837 0.00 . . . . . . A 585 LEU HD12 . 31113 1 437 . 1 . 1 36 36 LEU HD13 H 1 0.837 0.00 . . . . . . A 585 LEU HD13 . 31113 1 438 . 1 . 1 36 36 LEU HD21 H 1 0.796 0.02 . . . . . . A 585 LEU HD21 . 31113 1 439 . 1 . 1 36 36 LEU HD22 H 1 0.796 0.02 . . . . . . A 585 LEU HD22 . 31113 1 440 . 1 . 1 36 36 LEU HD23 H 1 0.796 0.02 . . . . . . A 585 LEU HD23 . 31113 1 441 . 1 . 1 36 36 LEU CA C 13 58.000 0.00 . . . . . . A 585 LEU CA . 31113 1 442 . 1 . 1 36 36 LEU CB C 13 41.514 0.00 . . . . . . A 585 LEU CB . 31113 1 443 . 1 . 1 36 36 LEU CG C 13 27.123 0.00 . . . . . . A 585 LEU CG . 31113 1 444 . 1 . 1 36 36 LEU CD1 C 13 26.092 0.00 . . . . . . A 585 LEU CD1 . 31113 1 445 . 1 . 1 36 36 LEU CD2 C 13 23.585 0.00 . . . . . . A 585 LEU CD2 . 31113 1 446 . 1 . 1 36 36 LEU N N 15 118.800 0.00 . . . . . . A 585 LEU N . 31113 1 447 . 1 . 1 37 37 LYS H H 1 8.203 0.00 . . . . . . A 586 LYS H . 31113 1 448 . 1 . 1 37 37 LYS HA H 1 4.240 0.00 . . . . . . A 586 LYS HA . 31113 1 449 . 1 . 1 37 37 LYS HB2 H 1 1.915 0.00 . . . . . . A 586 LYS HB2 . 31113 1 450 . 1 . 1 37 37 LYS HB3 H 1 1.915 0.00 . . . . . . A 586 LYS HB3 . 31113 1 451 . 1 . 1 37 37 LYS HG2 H 1 1.612 0.01 . . . . . . A 586 LYS HG2 . 31113 1 452 . 1 . 1 37 37 LYS HG3 H 1 1.426 0.00 . . . . . . A 586 LYS HG3 . 31113 1 453 . 1 . 1 37 37 LYS HD2 H 1 1.724 0.00 . . . . . . A 586 LYS HD2 . 31113 1 454 . 1 . 1 37 37 LYS HD3 H 1 1.724 0.00 . . . . . . A 586 LYS HD3 . 31113 1 455 . 1 . 1 37 37 LYS HE2 H 1 2.934 0.00 . . . . . . A 586 LYS HE2 . 31113 1 456 . 1 . 1 37 37 LYS HE3 H 1 2.934 0.00 . . . . . . A 586 LYS HE3 . 31113 1 457 . 1 . 1 37 37 LYS CA C 13 59.136 0.00 . . . . . . A 586 LYS CA . 31113 1 458 . 1 . 1 37 37 LYS CB C 13 32.680 0.00 . . . . . . A 586 LYS CB . 31113 1 459 . 1 . 1 37 37 LYS CG C 13 25.834 0.01 . . . . . . A 586 LYS CG . 31113 1 460 . 1 . 1 37 37 LYS CD C 13 29.278 0.00 . . . . . . A 586 LYS CD . 31113 1 461 . 1 . 1 37 37 LYS CE C 13 42.153 0.00 . . . . . . A 586 LYS CE . 31113 1 462 . 1 . 1 37 37 LYS N N 15 120.067 0.00 . . . . . . A 586 LYS N . 31113 1 463 . 1 . 1 38 38 GLU H H 1 8.336 0.00 . . . . . . A 587 GLU H . 31113 1 464 . 1 . 1 38 38 GLU HA H 1 4.109 0.00 . . . . . . A 587 GLU HA . 31113 1 465 . 1 . 1 38 38 GLU HB2 H 1 2.143 0.00 . . . . . . A 587 GLU HB2 . 31113 1 466 . 1 . 1 38 38 GLU HB3 H 1 2.078 0.00 . . . . . . A 587 GLU HB3 . 31113 1 467 . 1 . 1 38 38 GLU HG2 H 1 2.283 0.00 . . . . . . A 587 GLU HG2 . 31113 1 468 . 1 . 1 38 38 GLU HG3 H 1 2.118 0.01 . . . . . . A 587 GLU HG3 . 31113 1 469 . 1 . 1 38 38 GLU CA C 13 58.584 0.00 . . . . . . A 587 GLU CA . 31113 1 470 . 1 . 1 38 38 GLU CB C 13 29.694 0.00 . . . . . . A 587 GLU CB . 31113 1 471 . 1 . 1 38 38 GLU CG C 13 36.058 0.00 . . . . . . A 587 GLU CG . 31113 1 472 . 1 . 1 38 38 GLU N N 15 121.559 0.00 . . . . . . A 587 GLU N . 31113 1 473 . 1 . 1 39 39 HIS H H 1 7.729 0.00 . . . . . . A 588 HIS H . 31113 1 474 . 1 . 1 39 39 HIS HA H 1 4.570 0.00 . . . . . . A 588 HIS HA . 31113 1 475 . 1 . 1 39 39 HIS HB2 H 1 3.444 0.00 . . . . . . A 588 HIS HB2 . 31113 1 476 . 1 . 1 39 39 HIS HB3 H 1 2.913 0.00 . . . . . . A 588 HIS HB3 . 31113 1 477 . 1 . 1 39 39 HIS HD2 H 1 7.319 0.01 . . . . . . A 588 HIS HD2 . 31113 1 478 . 1 . 1 39 39 HIS HE1 H 1 8.322 0.06 . . . . . . A 588 HIS HE1 . 31113 1 479 . 1 . 1 39 39 HIS CB C 13 29.402 0.00 . . . . . . A 588 HIS CB . 31113 1 480 . 1 . 1 39 39 HIS CD2 C 13 120.794 0.10 . . . . . . A 588 HIS CD2 . 31113 1 481 . 1 . 1 39 39 HIS CE1 C 13 137.300 0.14 . . . . . . A 588 HIS CE1 . 31113 1 482 . 1 . 1 40 40 LYS H H 1 8.076 0.00 . . . . . . A 589 LYS H . 31113 1 483 . 1 . 1 40 40 LYS HA H 1 4.278 0.00 . . . . . . A 589 LYS HA . 31113 1 484 . 1 . 1 40 40 LYS HB2 H 1 1.942 0.00 . . . . . . A 589 LYS HB2 . 31113 1 485 . 1 . 1 40 40 LYS HB3 H 1 1.942 0.00 . . . . . . A 589 LYS HB3 . 31113 1 486 . 1 . 1 40 40 LYS HG2 H 1 1.404 0.00 . . . . . . A 589 LYS HG2 . 31113 1 487 . 1 . 1 40 40 LYS HG3 H 1 1.404 0.00 . . . . . . A 589 LYS HG3 . 31113 1 488 . 1 . 1 40 40 LYS HD2 H 1 1.699 0.00 . . . . . . A 589 LYS HD2 . 31113 1 489 . 1 . 1 40 40 LYS HD3 H 1 1.699 0.00 . . . . . . A 589 LYS HD3 . 31113 1 490 . 1 . 1 40 40 LYS HE2 H 1 3.029 0.01 . . . . . . A 589 LYS HE2 . 31113 1 491 . 1 . 1 40 40 LYS HE3 H 1 3.029 0.01 . . . . . . A 589 LYS HE3 . 31113 1 492 . 1 . 1 40 40 LYS CA C 13 57.451 0.00 . . . . . . A 589 LYS CA . 31113 1 493 . 1 . 1 40 40 LYS CB C 13 32.638 0.00 . . . . . . A 589 LYS CB . 31113 1 494 . 1 . 1 40 40 LYS CG C 13 25.158 0.00 . . . . . . A 589 LYS CG . 31113 1 495 . 1 . 1 40 40 LYS CD C 13 29.329 0.00 . . . . . . A 589 LYS CD . 31113 1 496 . 1 . 1 40 40 LYS CE C 13 42.385 0.00 . . . . . . A 589 LYS CE . 31113 1 497 . 1 . 1 40 40 LYS N N 15 116.646 0.00 . . . . . . A 589 LYS N . 31113 1 498 . 1 . 1 41 41 LEU H H 1 8.237 0.00 . . . . . . A 590 LEU H . 31113 1 499 . 1 . 1 41 41 LEU HA H 1 4.389 0.00 . . . . . . A 590 LEU HA . 31113 1 500 . 1 . 1 41 41 LEU HB2 H 1 1.615 0.00 . . . . . . A 590 LEU HB2 . 31113 1 501 . 1 . 1 41 41 LEU HB3 H 1 1.615 0.00 . . . . . . A 590 LEU HB3 . 31113 1 502 . 1 . 1 41 41 LEU HG H 1 1.640 0.00 . . . . . . A 590 LEU HG . 31113 1 503 . 1 . 1 41 41 LEU HD11 H 1 0.857 0.00 . . . . . . A 590 LEU HD11 . 31113 1 504 . 1 . 1 41 41 LEU HD12 H 1 0.857 0.00 . . . . . . A 590 LEU HD12 . 31113 1 505 . 1 . 1 41 41 LEU HD13 H 1 0.857 0.00 . . . . . . A 590 LEU HD13 . 31113 1 506 . 1 . 1 41 41 LEU HD21 H 1 0.845 0.00 . . . . . . A 590 LEU HD21 . 31113 1 507 . 1 . 1 41 41 LEU HD22 H 1 0.845 0.00 . . . . . . A 590 LEU HD22 . 31113 1 508 . 1 . 1 41 41 LEU HD23 H 1 0.845 0.00 . . . . . . A 590 LEU HD23 . 31113 1 509 . 1 . 1 41 41 LEU CA C 13 55.526 0.00 . . . . . . A 590 LEU CA . 31113 1 510 . 1 . 1 41 41 LEU CB C 13 43.319 0.00 . . . . . . A 590 LEU CB . 31113 1 511 . 1 . 1 41 41 LEU CG C 13 27.277 0.00 . . . . . . A 590 LEU CG . 31113 1 512 . 1 . 1 41 41 LEU CD1 C 13 25.279 0.00 . . . . . . A 590 LEU CD1 . 31113 1 513 . 1 . 1 41 41 LEU CD2 C 13 23.577 0.00 . . . . . . A 590 LEU CD2 . 31113 1 514 . 1 . 1 41 41 LEU N N 15 119.437 0.00 . . . . . . A 590 LEU N . 31113 1 515 . 1 . 1 42 42 LEU H H 1 7.333 0.00 . . . . . . A 591 LEU H . 31113 1 516 . 1 . 1 42 42 LEU HA H 1 4.204 0.00 . . . . . . A 591 LEU HA . 31113 1 517 . 1 . 1 42 42 LEU HB2 H 1 1.579 0.00 . . . . . . A 591 LEU HB2 . 31113 1 518 . 1 . 1 42 42 LEU HB3 H 1 1.408 0.00 . . . . . . A 591 LEU HB3 . 31113 1 519 . 1 . 1 42 42 LEU HG H 1 1.554 0.00 . . . . . . A 591 LEU HG . 31113 1 520 . 1 . 1 42 42 LEU HD11 H 1 0.913 0.00 . . . . . . A 591 LEU HD11 . 31113 1 521 . 1 . 1 42 42 LEU HD12 H 1 0.913 0.00 . . . . . . A 591 LEU HD12 . 31113 1 522 . 1 . 1 42 42 LEU HD13 H 1 0.913 0.00 . . . . . . A 591 LEU HD13 . 31113 1 523 . 1 . 1 42 42 LEU HD21 H 1 0.901 0.00 . . . . . . A 591 LEU HD21 . 31113 1 524 . 1 . 1 42 42 LEU HD22 H 1 0.901 0.00 . . . . . . A 591 LEU HD22 . 31113 1 525 . 1 . 1 42 42 LEU HD23 H 1 0.901 0.00 . . . . . . A 591 LEU HD23 . 31113 1 526 . 1 . 1 42 42 LEU CA C 13 55.974 0.00 . . . . . . A 591 LEU CA . 31113 1 527 . 1 . 1 42 42 LEU CB C 13 45.227 0.01 . . . . . . A 591 LEU CB . 31113 1 528 . 1 . 1 42 42 LEU CG C 13 27.578 0.00 . . . . . . A 591 LEU CG . 31113 1 529 . 1 . 1 42 42 LEU CD1 C 13 25.866 0.00 . . . . . . A 591 LEU CD1 . 31113 1 530 . 1 . 1 42 42 LEU CD2 C 13 23.769 0.00 . . . . . . A 591 LEU CD2 . 31113 1 531 . 1 . 1 42 42 LEU N N 15 124.316 0.00 . . . . . . A 591 LEU N . 31113 1 stop_ save_