################################### # 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 53884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list _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 2 '2D 1H-15N TROSY' . . . 53884 1 3 '2D 1H-13C HSQC aliphatic' . . . 53884 1 4 '2D 1H-13C HSQC aromatic' . . . 53884 1 5 '3D HCCH-TOCSY' . . . 53884 1 6 '3D HNCO' . . . 53884 1 7 '3D HNCA' . . . 53884 1 8 '3D HN(CO)CA' . . . 53884 1 9 '3D 1H-15N NOESY' . . . 53884 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53884 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 8 8 GLU C C 13 177.575 0.3 . 1 . . . . . 574 GLU C . 53884 1 2 . 1 . 1 8 8 GLU CA C 13 58.375 0.3 . 1 . . . . . 574 GLU CA . 53884 1 3 . 1 . 1 9 9 LEU H H 1 8.076 0.020 . 1 . . . . . 575 LEU H . 53884 1 4 . 1 . 1 9 9 LEU HA H 1 4.300 0.020 . 1 . . . . . 575 LEU HA . 53884 1 5 . 1 . 1 9 9 LEU HB2 H 1 1.769 0.020 . 2 . . . . . 575 LEU HB2 . 53884 1 6 . 1 . 1 9 9 LEU HB3 H 1 1.698 0.020 . 2 . . . . . 575 LEU HB3 . 53884 1 7 . 1 . 1 9 9 LEU HG H 1 1.710 0.020 . 1 . . . . . 575 LEU HG . 53884 1 8 . 1 . 1 9 9 LEU HD11 H 1 0.992 0.020 . 2 . . . . . 575 LEU HD1 . 53884 1 9 . 1 . 1 9 9 LEU HD12 H 1 0.992 0.020 . 2 . . . . . 575 LEU HD1 . 53884 1 10 . 1 . 1 9 9 LEU HD13 H 1 0.992 0.020 . 2 . . . . . 575 LEU HD1 . 53884 1 11 . 1 . 1 9 9 LEU HD21 H 1 0.943 0.020 . 2 . . . . . 575 LEU HD2 . 53884 1 12 . 1 . 1 9 9 LEU HD22 H 1 0.943 0.020 . 2 . . . . . 575 LEU HD2 . 53884 1 13 . 1 . 1 9 9 LEU HD23 H 1 0.943 0.020 . 2 . . . . . 575 LEU HD2 . 53884 1 14 . 1 . 1 9 9 LEU C C 13 177.767 0.3 . 1 . . . . . 575 LEU C . 53884 1 15 . 1 . 1 9 9 LEU CA C 13 56.940 0.3 . 1 . . . . . 575 LEU CA . 53884 1 16 . 1 . 1 9 9 LEU CB C 13 42.463 0.3 . 1 . . . . . 575 LEU CB . 53884 1 17 . 1 . 1 9 9 LEU CG C 13 27.207 0.3 . 1 . . . . . 575 LEU CG . 53884 1 18 . 1 . 1 9 9 LEU CD1 C 13 24.938 0.3 . 1 . . . . . 575 LEU CD1 . 53884 1 19 . 1 . 1 9 9 LEU CD2 C 13 24.818 0.3 . 1 . . . . . 575 LEU CD2 . 53884 1 20 . 1 . 1 9 9 LEU N N 15 120.454 0.3 . 1 . . . . . 575 LEU N . 53884 1 21 . 1 . 1 10 10 SER H H 1 8.076 0.020 . 1 . . . . . 576 SER H . 53884 1 22 . 1 . 1 10 10 SER HA H 1 4.278 0.020 . 1 . . . . . 576 SER HA . 53884 1 23 . 1 . 1 10 10 SER HB2 H 1 4.030 0.020 . 2 . . . . . 576 SER HB2 . 53884 1 24 . 1 . 1 10 10 SER HB3 H 1 3.910 0.020 . 2 . . . . . 576 SER HB3 . 53884 1 25 . 1 . 1 10 10 SER CA C 13 60.423 0.3 . 1 . . . . . 576 SER CA . 53884 1 26 . 1 . 1 10 10 SER N N 15 114.695 0.3 . 1 . . . . . 576 SER N . 53884 1 27 . 1 . 1 11 11 CYS C C 13 175.224 0.3 . 1 . . . . . 577 CYS C . 53884 1 28 . 1 . 1 11 11 CYS CA C 13 61.519 0.3 . 1 . . . . . 577 CYS CA . 53884 1 29 . 1 . 1 12 12 ASN H H 1 8.302 0.020 . 1 . . . . . 578 ASN H . 53884 1 30 . 1 . 1 12 12 ASN HA H 1 4.618 0.020 . 1 . . . . . 578 ASN HA . 53884 1 31 . 1 . 1 12 12 ASN HB2 H 1 2.940 0.020 . 2 . . . . . 578 ASN HB2 . 53884 1 32 . 1 . 1 12 12 ASN HB3 H 1 2.754 0.020 . 2 . . . . . 578 ASN HB3 . 53884 1 33 . 1 . 1 12 12 ASN C C 13 177.108 0.3 . 1 . . . . . 578 ASN C . 53884 1 34 . 1 . 1 12 12 ASN CA C 13 55.557 0.3 . 1 . . . . . 578 ASN CA . 53884 1 35 . 1 . 1 12 12 ASN CB C 13 38.573 0.3 . 1 . . . . . 578 ASN CB . 53884 1 36 . 1 . 1 12 12 ASN N N 15 119.840 0.3 . 1 . . . . . 578 ASN N . 53884 1 37 . 1 . 1 13 13 ILE H H 1 8.460 0.020 . 1 . . . . . 579 ILE H . 53884 1 38 . 1 . 1 13 13 ILE HA H 1 3.834 0.020 . 1 . . . . . 579 ILE HA . 53884 1 39 . 1 . 1 13 13 ILE HB H 1 2.043 0.020 . 1 . . . . . 579 ILE HB . 53884 1 40 . 1 . 1 13 13 ILE HG12 H 1 1.730 0.020 . 2 . . . . . 579 ILE HG12 . 53884 1 41 . 1 . 1 13 13 ILE HG13 H 1 1.293 0.020 . 2 . . . . . 579 ILE HG13 . 53884 1 42 . 1 . 1 13 13 ILE HG21 H 1 0.977 0.020 . 1 . . . . . 579 ILE HG2 . 53884 1 43 . 1 . 1 13 13 ILE HG22 H 1 0.977 0.020 . 1 . . . . . 579 ILE HG2 . 53884 1 44 . 1 . 1 13 13 ILE HG23 H 1 0.977 0.020 . 1 . . . . . 579 ILE HG2 . 53884 1 45 . 1 . 1 13 13 ILE HD11 H 1 0.901 0.020 . 1 . . . . . 579 ILE HD1 . 53884 1 46 . 1 . 1 13 13 ILE HD12 H 1 0.901 0.020 . 1 . . . . . 579 ILE HD1 . 53884 1 47 . 1 . 1 13 13 ILE HD13 H 1 0.901 0.020 . 1 . . . . . 579 ILE HD1 . 53884 1 48 . 1 . 1 13 13 ILE C C 13 177.408 0.3 . 1 . . . . . 579 ILE C . 53884 1 49 . 1 . 1 13 13 ILE CA C 13 64.466 0.3 . 1 . . . . . 579 ILE CA . 53884 1 50 . 1 . 1 13 13 ILE CB C 13 37.553 0.3 . 1 . . . . . 579 ILE CB . 53884 1 51 . 1 . 1 13 13 ILE CG1 C 13 29.355 0.3 . 1 . . . . . 579 ILE CG1 . 53884 1 52 . 1 . 1 13 13 ILE CG2 C 13 18.144 0.3 . 1 . . . . . 579 ILE CG2 . 53884 1 53 . 1 . 1 13 13 ILE CD1 C 13 12.944 0.3 . 1 . . . . . 579 ILE CD1 . 53884 1 54 . 1 . 1 13 13 ILE N N 15 120.762 0.3 . 1 . . . . . 579 ILE N . 53884 1 55 . 1 . 1 14 14 THR H H 1 8.090 0.020 . 1 . . . . . 580 THR H . 53884 1 56 . 1 . 1 14 14 THR HA H 1 3.751 0.020 . 1 . . . . . 580 THR HA . 53884 1 57 . 1 . 1 14 14 THR HB H 1 4.321 0.020 . 1 . . . . . 580 THR HB . 53884 1 58 . 1 . 1 14 14 THR HG21 H 1 1.158 0.020 . 1 . . . . . 580 THR HG2 . 53884 1 59 . 1 . 1 14 14 THR HG22 H 1 1.158 0.020 . 1 . . . . . 580 THR HG2 . 53884 1 60 . 1 . 1 14 14 THR HG23 H 1 1.158 0.020 . 1 . . . . . 580 THR HG2 . 53884 1 61 . 1 . 1 14 14 THR C C 13 176.223 0.3 . 1 . . . . . 580 THR C . 53884 1 62 . 1 . 1 14 14 THR CA C 13 68.432 0.3 . 1 . . . . . 580 THR CA . 53884 1 63 . 1 . 1 14 14 THR CB C 13 67.889 0.3 . 1 . . . . . 580 THR CB . 53884 1 64 . 1 . 1 14 14 THR CG2 C 13 22.160 0.3 . 1 . . . . . 580 THR CG2 . 53884 1 65 . 1 . 1 14 14 THR N N 15 118.065 0.3 . 1 . . . . . 580 THR N . 53884 1 66 . 1 . 1 15 15 LEU H H 1 8.189 0.020 . 1 . . . . . 581 LEU H . 53884 1 67 . 1 . 1 15 15 LEU HA H 1 3.993 0.020 . 1 . . . . . 581 LEU HA . 53884 1 68 . 1 . 1 15 15 LEU HB2 H 1 1.763 0.020 . 1 . . . . . 581 LEU HB2 . 53884 1 69 . 1 . 1 15 15 LEU HB3 H 1 1.763 0.020 . 1 . . . . . 581 LEU HB3 . 53884 1 70 . 1 . 1 15 15 LEU HG H 1 1.699 0.020 . 1 . . . . . 581 LEU HG . 53884 1 71 . 1 . 1 15 15 LEU HD11 H 1 0.940 0.020 . 2 . . . . . 581 LEU HD1 . 53884 1 72 . 1 . 1 15 15 LEU HD12 H 1 0.940 0.020 . 2 . . . . . 581 LEU HD1 . 53884 1 73 . 1 . 1 15 15 LEU HD13 H 1 0.940 0.020 . 2 . . . . . 581 LEU HD1 . 53884 1 74 . 1 . 1 15 15 LEU HD21 H 1 0.896 0.020 . 2 . . . . . 581 LEU HD2 . 53884 1 75 . 1 . 1 15 15 LEU HD22 H 1 0.896 0.020 . 2 . . . . . 581 LEU HD2 . 53884 1 76 . 1 . 1 15 15 LEU HD23 H 1 0.896 0.020 . 2 . . . . . 581 LEU HD2 . 53884 1 77 . 1 . 1 15 15 LEU C C 13 179.846 0.3 . 1 . . . . . 581 LEU C . 53884 1 78 . 1 . 1 15 15 LEU CA C 13 58.257 0.3 . 1 . . . . . 581 LEU CA . 53884 1 79 . 1 . 1 15 15 LEU N N 15 120.271 0.3 . 1 . . . . . 581 LEU N . 53884 1 80 . 1 . 1 16 16 LEU H H 1 8.186 0.020 . 1 . . . . . 582 LEU H . 53884 1 81 . 1 . 1 16 16 LEU HA H 1 4.020 0.020 . 1 . . . . . 582 LEU HA . 53884 1 82 . 1 . 1 16 16 LEU HB2 H 1 1.971 0.020 . 1 . . . . . 582 LEU HB2 . 53884 1 83 . 1 . 1 16 16 LEU HB3 H 1 1.971 0.020 . 1 . . . . . 582 LEU HB3 . 53884 1 84 . 1 . 1 16 16 LEU HG H 1 1.708 0.020 . 1 . . . . . 582 LEU HG . 53884 1 85 . 1 . 1 16 16 LEU HD11 H 1 0.934 0.020 . 2 . . . . . 582 LEU HD1 . 53884 1 86 . 1 . 1 16 16 LEU HD12 H 1 0.934 0.020 . 2 . . . . . 582 LEU HD1 . 53884 1 87 . 1 . 1 16 16 LEU HD13 H 1 0.934 0.020 . 2 . . . . . 582 LEU HD1 . 53884 1 88 . 1 . 1 16 16 LEU HD21 H 1 0.912 0.020 . 2 . . . . . 582 LEU HD2 . 53884 1 89 . 1 . 1 16 16 LEU HD22 H 1 0.912 0.020 . 2 . . . . . 582 LEU HD2 . 53884 1 90 . 1 . 1 16 16 LEU HD23 H 1 0.912 0.020 . 2 . . . . . 582 LEU HD2 . 53884 1 91 . 1 . 1 16 16 LEU C C 13 178.213 0.3 . 1 . . . . . 582 LEU C . 53884 1 92 . 1 . 1 16 16 LEU CA C 13 58.925 0.3 . 1 . . . . . 582 LEU CA . 53884 1 93 . 1 . 1 16 16 LEU N N 15 122.110 0.3 . 1 . . . . . 582 LEU N . 53884 1 94 . 1 . 1 17 17 ILE H H 1 8.452 0.020 . 1 . . . . . 583 ILE H . 53884 1 95 . 1 . 1 17 17 ILE HA H 1 3.596 0.020 . 1 . . . . . 583 ILE HA . 53884 1 96 . 1 . 1 17 17 ILE HB H 1 2.109 0.020 . 1 . . . . . 583 ILE HB . 53884 1 97 . 1 . 1 17 17 ILE HG12 H 1 1.135 0.020 . 2 . . . . . 583 ILE HG12 . 53884 1 98 . 1 . 1 17 17 ILE HG13 H 1 1.907 0.020 . 2 . . . . . 583 ILE HG13 . 53884 1 99 . 1 . 1 17 17 ILE HG21 H 1 0.881 0.020 . 1 . . . . . 583 ILE HG2 . 53884 1 100 . 1 . 1 17 17 ILE HG22 H 1 0.881 0.020 . 1 . . . . . 583 ILE HG2 . 53884 1 101 . 1 . 1 17 17 ILE HG23 H 1 0.881 0.020 . 1 . . . . . 583 ILE HG2 . 53884 1 102 . 1 . 1 17 17 ILE HD11 H 1 0.841 0.020 . 1 . . . . . 583 ILE HD1 . 53884 1 103 . 1 . 1 17 17 ILE HD12 H 1 0.841 0.020 . 1 . . . . . 583 ILE HD1 . 53884 1 104 . 1 . 1 17 17 ILE HD13 H 1 0.841 0.020 . 1 . . . . . 583 ILE HD1 . 53884 1 105 . 1 . 1 17 17 ILE C C 13 178.001 0.3 . 1 . . . . . 583 ILE C . 53884 1 106 . 1 . 1 17 17 ILE CA C 13 66.087 0.3 . 1 . . . . . 583 ILE CA . 53884 1 107 . 1 . 1 17 17 ILE CB C 13 37.497 0.3 . 1 . . . . . 583 ILE CB . 53884 1 108 . 1 . 1 17 17 ILE CG1 C 13 29.481 0.3 . 1 . . . . . 583 ILE CG1 . 53884 1 109 . 1 . 1 17 17 ILE CG2 C 13 17.515 0.3 . 1 . . . . . 583 ILE CG2 . 53884 1 110 . 1 . 1 17 17 ILE CD1 C 13 13.366 0.3 . 1 . . . . . 583 ILE CD1 . 53884 1 111 . 1 . 1 17 17 ILE N N 15 118.556 0.3 . 1 . . . . . 583 ILE N . 53884 1 112 . 1 . 1 18 18 VAL H H 1 8.575 0.020 . 1 . . . . . 584 VAL H . 53884 1 113 . 1 . 1 18 18 VAL HA H 1 3.488 0.020 . 1 . . . . . 584 VAL HA . 53884 1 114 . 1 . 1 18 18 VAL HB H 1 2.230 0.020 . 1 . . . . . 584 VAL HB . 53884 1 115 . 1 . 1 18 18 VAL HG11 H 1 1.085 0.020 . 2 . . . . . 584 VAL HG1 . 53884 1 116 . 1 . 1 18 18 VAL HG12 H 1 1.085 0.020 . 2 . . . . . 584 VAL HG1 . 53884 1 117 . 1 . 1 18 18 VAL HG13 H 1 1.085 0.020 . 2 . . . . . 584 VAL HG1 . 53884 1 118 . 1 . 1 18 18 VAL HG21 H 1 0.934 0.020 . 2 . . . . . 584 VAL HG2 . 53884 1 119 . 1 . 1 18 18 VAL HG22 H 1 0.934 0.020 . 2 . . . . . 584 VAL HG2 . 53884 1 120 . 1 . 1 18 18 VAL HG23 H 1 0.934 0.020 . 2 . . . . . 584 VAL HG2 . 53884 1 121 . 1 . 1 18 18 VAL C C 13 177.177 0.3 . 1 . . . . . 584 VAL C . 53884 1 122 . 1 . 1 18 18 VAL CA C 13 67.617 0.3 . 1 . . . . . 584 VAL CA . 53884 1 123 . 1 . 1 18 18 VAL CB C 13 31.484 0.3 . 1 . . . . . 584 VAL CB . 53884 1 124 . 1 . 1 18 18 VAL CG1 C 13 23.411 0.3 . 1 . . . . . 584 VAL CG1 . 53884 1 125 . 1 . 1 18 18 VAL CG2 C 13 21.610 0.3 . 1 . . . . . 584 VAL CG2 . 53884 1 126 . 1 . 1 18 18 VAL N N 15 118.065 0.3 . 1 . . . . . 584 VAL N . 53884 1 127 . 1 . 1 19 19 THR H H 1 8.167 0.020 . 1 . . . . . 585 THR H . 53884 1 128 . 1 . 1 19 19 THR HA H 1 3.769 0.020 . 1 . . . . . 585 THR HA . 53884 1 129 . 1 . 1 19 19 THR HB H 1 4.309 0.020 . 1 . . . . . 585 THR HB . 53884 1 130 . 1 . 1 19 19 THR HG21 H 1 1.122 0.020 . 1 . . . . . 585 THR HG2 . 53884 1 131 . 1 . 1 19 19 THR HG22 H 1 1.122 0.020 . 1 . . . . . 585 THR HG2 . 53884 1 132 . 1 . 1 19 19 THR HG23 H 1 1.122 0.020 . 1 . . . . . 585 THR HG2 . 53884 1 133 . 1 . 1 19 19 THR C C 13 177.784 0.3 . 1 . . . . . 585 THR C . 53884 1 134 . 1 . 1 19 19 THR CA C 13 68.608 0.3 . 1 . . . . . 585 THR CA . 53884 1 135 . 1 . 1 19 19 THR CB C 13 68.140 0.3 . 1 . . . . . 585 THR CB . 53884 1 136 . 1 . 1 19 19 THR CG2 C 13 21.622 0.3 . 1 . . . . . 585 THR CG2 . 53884 1 137 . 1 . 1 19 19 THR N N 15 115.977 0.3 . 1 . . . . . 585 THR N . 53884 1 138 . 1 . 1 20 20 ILE H H 1 8.459 0.020 . 1 . . . . . 586 ILE H . 53884 1 139 . 1 . 1 20 20 ILE HA H 1 3.596 0.020 . 1 . . . . . 586 ILE HA . 53884 1 140 . 1 . 1 20 20 ILE HB H 1 2.046 0.020 . 1 . . . . . 586 ILE HB . 53884 1 141 . 1 . 1 20 20 ILE HG12 H 1 1.906 0.020 . 2 . . . . . 586 ILE HG12 . 53884 1 142 . 1 . 1 20 20 ILE HG13 H 1 1.039 0.020 . 2 . . . . . 586 ILE HG13 . 53884 1 143 . 1 . 1 20 20 ILE HG21 H 1 0.878 0.020 . 1 . . . . . 586 ILE HG2 . 53884 1 144 . 1 . 1 20 20 ILE HG22 H 1 0.878 0.020 . 1 . . . . . 586 ILE HG2 . 53884 1 145 . 1 . 1 20 20 ILE HG23 H 1 0.878 0.020 . 1 . . . . . 586 ILE HG2 . 53884 1 146 . 1 . 1 20 20 ILE HD11 H 1 0.798 0.020 . 1 . . . . . 586 ILE HD1 . 53884 1 147 . 1 . 1 20 20 ILE HD12 H 1 0.798 0.020 . 1 . . . . . 586 ILE HD1 . 53884 1 148 . 1 . 1 20 20 ILE HD13 H 1 0.798 0.020 . 1 . . . . . 586 ILE HD1 . 53884 1 149 . 1 . 1 20 20 ILE C C 13 177.508 0.3 . 1 . . . . . 586 ILE C . 53884 1 150 . 1 . 1 20 20 ILE CA C 13 66.284 0.3 . 1 . . . . . 586 ILE CA . 53884 1 151 . 1 . 1 20 20 ILE CB C 13 37.898 0.3 . 1 . . . . . 586 ILE CB . 53884 1 152 . 1 . 1 20 20 ILE CG1 C 13 29.613 0.3 . 1 . . . . . 586 ILE CG1 . 53884 1 153 . 1 . 1 20 20 ILE CG2 C 13 17.413 0.3 . 1 . . . . . 586 ILE CG2 . 53884 1 154 . 1 . 1 20 20 ILE CD1 C 13 13.562 0.3 . 1 . . . . . 586 ILE CD1 . 53884 1 155 . 1 . 1 20 20 ILE N N 15 124.149 0.3 . 1 . . . . . 586 ILE N . 53884 1 156 . 1 . 1 21 21 VAL H H 1 8.532 0.020 . 1 . . . . . 587 VAL H . 53884 1 157 . 1 . 1 21 21 VAL HA H 1 3.508 0.020 . 1 . . . . . 587 VAL HA . 53884 1 158 . 1 . 1 21 21 VAL HB H 1 2.162 0.020 . 1 . . . . . 587 VAL HB . 53884 1 159 . 1 . 1 21 21 VAL HG11 H 1 1.036 0.020 . 2 . . . . . 587 VAL HG1 . 53884 1 160 . 1 . 1 21 21 VAL HG12 H 1 1.036 0.020 . 2 . . . . . 587 VAL HG1 . 53884 1 161 . 1 . 1 21 21 VAL HG13 H 1 1.036 0.020 . 2 . . . . . 587 VAL HG1 . 53884 1 162 . 1 . 1 21 21 VAL HG21 H 1 0.890 0.020 . 2 . . . . . 587 VAL HG2 . 53884 1 163 . 1 . 1 21 21 VAL HG22 H 1 0.890 0.020 . 2 . . . . . 587 VAL HG2 . 53884 1 164 . 1 . 1 21 21 VAL HG23 H 1 0.890 0.020 . 2 . . . . . 587 VAL HG2 . 53884 1 165 . 1 . 1 21 21 VAL C C 13 177.510 0.3 . 1 . . . . . 587 VAL C . 53884 1 166 . 1 . 1 21 21 VAL CA C 13 67.744 0.3 . 1 . . . . . 587 VAL CA . 53884 1 167 . 1 . 1 21 21 VAL CB C 13 31.388 0.3 . 1 . . . . . 587 VAL CB . 53884 1 168 . 1 . 1 21 21 VAL CG1 C 13 23.453 0.3 . 1 . . . . . 587 VAL CG1 . 53884 1 169 . 1 . 1 21 21 VAL CG2 C 13 21.670 0.3 . 1 . . . . . 587 VAL CG2 . 53884 1 170 . 1 . 1 21 21 VAL N N 15 119.780 0.3 . 1 . . . . . 587 VAL N . 53884 1 171 . 1 . 1 22 22 ALA H H 1 8.841 0.020 . 1 . . . . . 588 ALA H . 53884 1 172 . 1 . 1 22 22 ALA HA H 1 3.913 0.020 . 1 . . . . . 588 ALA HA . 53884 1 173 . 1 . 1 22 22 ALA HB1 H 1 1.458 0.020 . 1 . . . . . 588 ALA HB . 53884 1 174 . 1 . 1 22 22 ALA HB2 H 1 1.458 0.020 . 1 . . . . . 588 ALA HB . 53884 1 175 . 1 . 1 22 22 ALA HB3 H 1 1.458 0.020 . 1 . . . . . 588 ALA HB . 53884 1 176 . 1 . 1 22 22 ALA C C 13 178.994 0.3 . 1 . . . . . 588 ALA C . 53884 1 177 . 1 . 1 22 22 ALA CA C 13 56.061 0.3 . 1 . . . . . 588 ALA CA . 53884 1 178 . 1 . 1 22 22 ALA CB C 13 18.411 0.3 . 1 . . . . . 588 ALA CB . 53884 1 179 . 1 . 1 22 22 ALA N N 15 120.411 0.3 . 1 . . . . . 588 ALA N . 53884 1 180 . 1 . 1 23 23 THR H H 1 8.091 0.020 . 1 . . . . . 589 THR H . 53884 1 181 . 1 . 1 23 23 THR HA H 1 3.659 0.020 . 1 . . . . . 589 THR HA . 53884 1 182 . 1 . 1 23 23 THR HB H 1 4.258 0.020 . 1 . . . . . 589 THR HB . 53884 1 183 . 1 . 1 23 23 THR HG21 H 1 1.101 0.020 . 1 . . . . . 589 THR HG2 . 53884 1 184 . 1 . 1 23 23 THR HG22 H 1 1.101 0.020 . 1 . . . . . 589 THR HG2 . 53884 1 185 . 1 . 1 23 23 THR HG23 H 1 1.101 0.020 . 1 . . . . . 589 THR HG2 . 53884 1 186 . 1 . 1 23 23 THR C C 13 176.555 0.3 . 1 . . . . . 589 THR C . 53884 1 187 . 1 . 1 23 23 THR CA C 13 68.390 0.3 . 1 . . . . . 589 THR CA . 53884 1 188 . 1 . 1 23 23 THR CB C 13 67.993 0.3 . 1 . . . . . 589 THR CB . 53884 1 189 . 1 . 1 23 23 THR CG2 C 13 21.457 0.3 . 1 . . . . . 589 THR CG2 . 53884 1 190 . 1 . 1 23 23 THR N N 15 113.488 0.3 . 1 . . . . . 589 THR N . 53884 1 191 . 1 . 1 24 24 MET H H 1 8.292 0.020 . 1 . . . . . 590 MET H . 53884 1 192 . 1 . 1 24 24 MET HA H 1 4.064 0.020 . 1 . . . . . 590 MET HA . 53884 1 193 . 1 . 1 24 24 MET HB2 H 1 2.733 0.020 . 2 . . . . . 590 MET HB2 . 53884 1 194 . 1 . 1 24 24 MET HB3 H 1 2.470 0.020 . 2 . . . . . 590 MET HB3 . 53884 1 195 . 1 . 1 24 24 MET HG2 H 1 2.322 0.020 . 2 . . . . . 590 MET HG2 . 53884 1 196 . 1 . 1 24 24 MET HG3 H 1 1.979 0.020 . 2 . . . . . 590 MET HG3 . 53884 1 197 . 1 . 1 24 24 MET C C 13 178.012 0.3 . 1 . . . . . 590 MET C . 53884 1 198 . 1 . 1 24 24 MET CA C 13 59.368 0.3 . 1 . . . . . 590 MET CA . 53884 1 199 . 1 . 1 24 24 MET CB C 13 33.278 0.3 . 1 . . . . . 590 MET CB . 53884 1 200 . 1 . 1 24 24 MET CG C 13 32.635 0.3 . 1 . . . . . 590 MET CG . 53884 1 201 . 1 . 1 24 24 MET N N 15 119.622 0.3 . 1 . . . . . 590 MET N . 53884 1 202 . 1 . 1 25 25 LEU H H 1 8.293 0.020 . 1 . . . . . 591 LEU H . 53884 1 203 . 1 . 1 25 25 LEU HA H 1 4.039 0.020 . 1 . . . . . 591 LEU HA . 53884 1 204 . 1 . 1 25 25 LEU HB2 H 1 1.912 0.020 . 1 . . . . . 591 LEU HB2 . 53884 1 205 . 1 . 1 25 25 LEU HB3 H 1 1.912 0.020 . 1 . . . . . 591 LEU HB3 . 53884 1 206 . 1 . 1 25 25 LEU HG H 1 1.608 0.020 . 1 . . . . . 591 LEU HG . 53884 1 207 . 1 . 1 25 25 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 591 LEU HD1 . 53884 1 208 . 1 . 1 25 25 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 591 LEU HD1 . 53884 1 209 . 1 . 1 25 25 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 591 LEU HD1 . 53884 1 210 . 1 . 1 25 25 LEU HD21 H 1 0.818 0.020 . 2 . . . . . 591 LEU HD2 . 53884 1 211 . 1 . 1 25 25 LEU HD22 H 1 0.818 0.020 . 2 . . . . . 591 LEU HD2 . 53884 1 212 . 1 . 1 25 25 LEU HD23 H 1 0.818 0.020 . 2 . . . . . 591 LEU HD2 . 53884 1 213 . 1 . 1 25 25 LEU C C 13 178.527 0.3 . 1 . . . . . 591 LEU C . 53884 1 214 . 1 . 1 25 25 LEU CA C 13 58.637 0.3 . 1 . . . . . 591 LEU CA . 53884 1 215 . 1 . 1 25 25 LEU N N 15 119.006 0.3 . 1 . . . . . 591 LEU N . 53884 1 216 . 1 . 1 26 26 VAL H H 1 8.297 0.020 . 1 . . . . . 592 VAL H . 53884 1 217 . 1 . 1 26 26 VAL HA H 1 3.537 0.020 . 1 . . . . . 592 VAL HA . 53884 1 218 . 1 . 1 26 26 VAL HB H 1 2.257 0.020 . 1 . . . . . 592 VAL HB . 53884 1 219 . 1 . 1 26 26 VAL HG11 H 1 1.065 0.020 . 2 . . . . . 592 VAL HG1 . 53884 1 220 . 1 . 1 26 26 VAL HG12 H 1 1.065 0.020 . 2 . . . . . 592 VAL HG1 . 53884 1 221 . 1 . 1 26 26 VAL HG13 H 1 1.065 0.020 . 2 . . . . . 592 VAL HG1 . 53884 1 222 . 1 . 1 26 26 VAL HG21 H 1 0.894 0.020 . 2 . . . . . 592 VAL HG2 . 53884 1 223 . 1 . 1 26 26 VAL HG22 H 1 0.894 0.020 . 2 . . . . . 592 VAL HG2 . 53884 1 224 . 1 . 1 26 26 VAL HG23 H 1 0.894 0.020 . 2 . . . . . 592 VAL HG2 . 53884 1 225 . 1 . 1 26 26 VAL C C 13 179.778 0.3 . 1 . . . . . 592 VAL C . 53884 1 226 . 1 . 1 26 26 VAL CA C 13 67.364 0.3 . 1 . . . . . 592 VAL CA . 53884 1 227 . 1 . 1 26 26 VAL CB C 13 31.424 0.3 . 1 . . . . . 592 VAL CB . 53884 1 228 . 1 . 1 26 26 VAL CG1 C 13 23.511 0.3 . 1 . . . . . 592 VAL CG1 . 53884 1 229 . 1 . 1 26 26 VAL CG2 C 13 21.653 0.3 . 1 . . . . . 592 VAL CG2 . 53884 1 230 . 1 . 1 26 26 VAL N N 15 118.290 0.3 . 1 . . . . . 592 VAL N . 53884 1 231 . 1 . 1 27 27 LEU H H 1 8.623 0.020 . 1 . . . . . 593 LEU H . 53884 1 232 . 1 . 1 27 27 LEU HA H 1 4.012 0.020 . 1 . . . . . 593 LEU HA . 53884 1 233 . 1 . 1 27 27 LEU HB2 H 1 1.915 0.020 . 2 . . . . . 593 LEU HB2 . 53884 1 234 . 1 . 1 27 27 LEU HB3 H 1 1.604 0.020 . 2 . . . . . 593 LEU HB3 . 53884 1 235 . 1 . 1 27 27 LEU HG H 1 1.828 0.020 . 1 . . . . . 593 LEU HG . 53884 1 236 . 1 . 1 27 27 LEU HD11 H 1 0.852 0.020 . 2 . . . . . 593 LEU HD1 . 53884 1 237 . 1 . 1 27 27 LEU HD12 H 1 0.852 0.020 . 2 . . . . . 593 LEU HD1 . 53884 1 238 . 1 . 1 27 27 LEU HD13 H 1 0.852 0.020 . 2 . . . . . 593 LEU HD1 . 53884 1 239 . 1 . 1 27 27 LEU HD21 H 1 0.821 0.020 . 2 . . . . . 593 LEU HD2 . 53884 1 240 . 1 . 1 27 27 LEU HD22 H 1 0.821 0.020 . 2 . . . . . 593 LEU HD2 . 53884 1 241 . 1 . 1 27 27 LEU HD23 H 1 0.821 0.020 . 2 . . . . . 593 LEU HD2 . 53884 1 242 . 1 . 1 27 27 LEU C C 13 178.035 0.3 . 1 . . . . . 593 LEU C . 53884 1 243 . 1 . 1 27 27 LEU CA C 13 58.656 0.3 . 1 . . . . . 593 LEU CA . 53884 1 244 . 1 . 1 27 27 LEU CB C 13 41.917 0.3 . 1 . . . . . 593 LEU CB . 53884 1 245 . 1 . 1 27 27 LEU CG C 13 27.109 0.3 . 1 . . . . . 593 LEU CG . 53884 1 246 . 1 . 1 27 27 LEU CD1 C 13 25.295 0.3 . 1 . . . . . 593 LEU CD1 . 53884 1 247 . 1 . 1 27 27 LEU CD2 C 13 23.968 0.3 . 1 . . . . . 593 LEU CD2 . 53884 1 248 . 1 . 1 27 27 LEU N N 15 122.226 0.3 . 1 . . . . . 593 LEU N . 53884 1 249 . 1 . 1 28 28 ALA H H 1 8.639 0.020 . 1 . . . . . 594 ALA H . 53884 1 250 . 1 . 1 28 28 ALA HA H 1 4.001 0.020 . 1 . . . . . 594 ALA HA . 53884 1 251 . 1 . 1 28 28 ALA HB1 H 1 1.527 0.020 . 1 . . . . . 594 ALA HB . 53884 1 252 . 1 . 1 28 28 ALA HB2 H 1 1.527 0.020 . 1 . . . . . 594 ALA HB . 53884 1 253 . 1 . 1 28 28 ALA HB3 H 1 1.527 0.020 . 1 . . . . . 594 ALA HB . 53884 1 254 . 1 . 1 28 28 ALA C C 13 180.435 0.3 . 1 . . . . . 594 ALA C . 53884 1 255 . 1 . 1 28 28 ALA CA C 13 56.001 0.3 . 1 . . . . . 594 ALA CA . 53884 1 256 . 1 . 1 28 28 ALA CB C 13 18.438 0.3 . 1 . . . . . 594 ALA CB . 53884 1 257 . 1 . 1 28 28 ALA N N 15 120.745 0.3 . 1 . . . . . 594 ALA N . 53884 1 258 . 1 . 1 29 29 VAL H H 1 8.421 0.020 . 1 . . . . . 595 VAL H . 53884 1 259 . 1 . 1 29 29 VAL HA H 1 3.745 0.020 . 1 . . . . . 595 VAL HA . 53884 1 260 . 1 . 1 29 29 VAL HB H 1 2.202 0.020 . 1 . . . . . 595 VAL HB . 53884 1 261 . 1 . 1 29 29 VAL HG11 H 1 1.085 0.020 . 2 . . . . . 595 VAL HG1 . 53884 1 262 . 1 . 1 29 29 VAL HG12 H 1 1.085 0.020 . 2 . . . . . 595 VAL HG1 . 53884 1 263 . 1 . 1 29 29 VAL HG13 H 1 1.085 0.020 . 2 . . . . . 595 VAL HG1 . 53884 1 264 . 1 . 1 29 29 VAL HG21 H 1 0.986 0.020 . 2 . . . . . 595 VAL HG2 . 53884 1 265 . 1 . 1 29 29 VAL HG22 H 1 0.986 0.020 . 2 . . . . . 595 VAL HG2 . 53884 1 266 . 1 . 1 29 29 VAL HG23 H 1 0.986 0.020 . 2 . . . . . 595 VAL HG2 . 53884 1 267 . 1 . 1 29 29 VAL C C 13 177.968 0.3 . 1 . . . . . 595 VAL C . 53884 1 268 . 1 . 1 29 29 VAL CA C 13 66.358 0.3 . 1 . . . . . 595 VAL CA . 53884 1 269 . 1 . 1 29 29 VAL N N 15 117.167 0.3 . 1 . . . . . 595 VAL N . 53884 1 270 . 1 . 1 30 30 THR H H 1 8.224 0.020 . 1 . . . . . 596 THR H . 53884 1 271 . 1 . 1 30 30 THR HA H 1 3.861 0.020 . 1 . . . . . 596 THR HA . 53884 1 272 . 1 . 1 30 30 THR HB H 1 4.302 0.020 . 1 . . . . . 596 THR HB . 53884 1 273 . 1 . 1 30 30 THR HG21 H 1 1.159 0.020 . 1 . . . . . 596 THR HG2 . 53884 1 274 . 1 . 1 30 30 THR HG22 H 1 1.159 0.020 . 1 . . . . . 596 THR HG2 . 53884 1 275 . 1 . 1 30 30 THR HG23 H 1 1.159 0.020 . 1 . . . . . 596 THR HG2 . 53884 1 276 . 1 . 1 30 30 THR C C 13 176.404 0.3 . 1 . . . . . 596 THR C . 53884 1 277 . 1 . 1 30 30 THR CA C 13 68.279 0.3 . 1 . . . . . 596 THR CA . 53884 1 278 . 1 . 1 30 30 THR CB C 13 68.341 0.3 . 1 . . . . . 596 THR CB . 53884 1 279 . 1 . 1 30 30 THR CG2 C 13 21.584 0.3 . 1 . . . . . 596 THR CG2 . 53884 1 280 . 1 . 1 30 30 THR N N 15 117.999 0.3 . 1 . . . . . 596 THR N . 53884 1 281 . 1 . 1 31 31 VAL H H 1 8.530 0.020 . 1 . . . . . 597 VAL H . 53884 1 282 . 1 . 1 31 31 VAL HA H 1 3.725 0.020 . 1 . . . . . 597 VAL HA . 53884 1 283 . 1 . 1 31 31 VAL HB H 1 2.202 0.020 . 1 . . . . . 597 VAL HB . 53884 1 284 . 1 . 1 31 31 VAL HG11 H 1 1.062 0.020 . 2 . . . . . 597 VAL HG1 . 53884 1 285 . 1 . 1 31 31 VAL HG12 H 1 1.062 0.020 . 2 . . . . . 597 VAL HG1 . 53884 1 286 . 1 . 1 31 31 VAL HG13 H 1 1.062 0.020 . 2 . . . . . 597 VAL HG1 . 53884 1 287 . 1 . 1 31 31 VAL HG21 H 1 0.964 0.020 . 2 . . . . . 597 VAL HG2 . 53884 1 288 . 1 . 1 31 31 VAL HG22 H 1 0.964 0.020 . 2 . . . . . 597 VAL HG2 . 53884 1 289 . 1 . 1 31 31 VAL HG23 H 1 0.964 0.020 . 2 . . . . . 597 VAL HG2 . 53884 1 290 . 1 . 1 31 31 VAL CA C 13 66.986 0.3 . 1 . . . . . 597 VAL CA . 53884 1 291 . 1 . 1 31 31 VAL CG1 C 13 23.050 0.3 . 1 . . . . . 597 VAL CG1 . 53884 1 292 . 1 . 1 31 31 VAL CG2 C 13 22.034 0.3 . 1 . . . . . 597 VAL CG2 . 53884 1 293 . 1 . 1 31 31 VAL N N 15 118.931 0.3 . 1 . . . . . 597 VAL N . 53884 1 294 . 1 . 1 32 32 THR HA H 1 3.987 0.020 . 1 . . . . . 598 THR HA . 53884 1 295 . 1 . 1 32 32 THR HB H 1 4.256 0.020 . 1 . . . . . 598 THR HB . 53884 1 296 . 1 . 1 32 32 THR HG21 H 1 1.284 0.020 . 1 . . . . . 598 THR HG2 . 53884 1 297 . 1 . 1 32 32 THR HG22 H 1 1.284 0.020 . 1 . . . . . 598 THR HG2 . 53884 1 298 . 1 . 1 32 32 THR HG23 H 1 1.284 0.020 . 1 . . . . . 598 THR HG2 . 53884 1 299 . 1 . 1 32 32 THR C C 13 176.900 0.3 . 1 . . . . . 598 THR C . 53884 1 300 . 1 . 1 32 32 THR CA C 13 66.999 0.3 . 1 . . . . . 598 THR CA . 53884 1 301 . 1 . 1 32 32 THR CB C 13 68.689 0.3 . 1 . . . . . 598 THR CB . 53884 1 302 . 1 . 1 32 32 THR CG2 C 13 22.242 0.3 . 1 . . . . . 598 THR CG2 . 53884 1 303 . 1 . 1 33 33 SER H H 1 8.044 0.020 . 1 . . . . . 599 SER H . 53884 1 304 . 1 . 1 33 33 SER HA H 1 4.377 0.020 . 1 . . . . . 599 SER HA . 53884 1 305 . 1 . 1 33 33 SER HB2 H 1 4.082 0.020 . 2 . . . . . 599 SER HB2 . 53884 1 306 . 1 . 1 33 33 SER HB3 H 1 3.921 0.020 . 2 . . . . . 599 SER HB3 . 53884 1 307 . 1 . 1 33 33 SER C C 13 176.288 0.3 . 1 . . . . . 599 SER C . 53884 1 308 . 1 . 1 33 33 SER CA C 13 62.417 0.3 . 1 . . . . . 599 SER CA . 53884 1 309 . 1 . 1 33 33 SER CB C 13 63.539 0.3 . 1 . . . . . 599 SER CB . 53884 1 310 . 1 . 1 33 33 SER N N 15 116.842 0.3 . 1 . . . . . 599 SER N . 53884 1 311 . 1 . 1 34 34 LEU H H 1 8.048 0.020 . 1 . . . . . 600 LEU H . 53884 1 312 . 1 . 1 34 34 LEU HA H 1 4.315 0.020 . 1 . . . . . 600 LEU HA . 53884 1 313 . 1 . 1 34 34 LEU HB2 H 1 1.945 0.020 . 1 . . . . . 600 LEU HB2 . 53884 1 314 . 1 . 1 34 34 LEU HB3 H 1 1.945 0.020 . 1 . . . . . 600 LEU HB3 . 53884 1 315 . 1 . 1 34 34 LEU HG H 1 1.693 0.020 . 1 . . . . . 600 LEU HG . 53884 1 316 . 1 . 1 34 34 LEU HD11 H 1 0.904 0.020 . 2 . . . . . 600 LEU HD1 . 53884 1 317 . 1 . 1 34 34 LEU HD12 H 1 0.904 0.020 . 2 . . . . . 600 LEU HD1 . 53884 1 318 . 1 . 1 34 34 LEU HD13 H 1 0.904 0.020 . 2 . . . . . 600 LEU HD1 . 53884 1 319 . 1 . 1 34 34 LEU HD21 H 1 0.900 0.020 . 2 . . . . . 600 LEU HD2 . 53884 1 320 . 1 . 1 34 34 LEU HD22 H 1 0.900 0.020 . 2 . . . . . 600 LEU HD2 . 53884 1 321 . 1 . 1 34 34 LEU HD23 H 1 0.900 0.020 . 2 . . . . . 600 LEU HD2 . 53884 1 322 . 1 . 1 34 34 LEU C C 13 178.302 0.3 . 1 . . . . . 600 LEU C . 53884 1 323 . 1 . 1 34 34 LEU CA C 13 57.658 0.3 . 1 . . . . . 600 LEU CA . 53884 1 324 . 1 . 1 34 34 LEU CB C 13 42.712 0.3 . 1 . . . . . 600 LEU CB . 53884 1 325 . 1 . 1 34 34 LEU CD1 C 13 25.653 0.3 . 1 . . . . . 600 LEU CD1 . 53884 1 326 . 1 . 1 34 34 LEU CD2 C 13 24.028 0.3 . 1 . . . . . 600 LEU CD2 . 53884 1 327 . 1 . 1 34 34 LEU N N 15 120.870 0.3 . 1 . . . . . 600 LEU N . 53884 1 328 . 1 . 1 35 35 CYS H H 1 8.003 0.020 . 1 . . . . . 601 CYS H . 53884 1 329 . 1 . 1 35 35 CYS HA H 1 4.368 0.020 . 1 . . . . . 601 CYS HA . 53884 1 330 . 1 . 1 35 35 CYS HB2 H 1 3.077 0.020 . 2 . . . . . 601 CYS HB2 . 53884 1 331 . 1 . 1 35 35 CYS HB3 H 1 2.964 0.020 . 2 . . . . . 601 CYS HB3 . 53884 1 332 . 1 . 1 35 35 CYS C C 13 175.391 0.3 . 1 . . . . . 601 CYS C . 53884 1 333 . 1 . 1 35 35 CYS CA C 13 62.258 0.3 . 1 . . . . . 601 CYS CA . 53884 1 334 . 1 . 1 35 35 CYS CB C 13 27.540 0.3 . 1 . . . . . 601 CYS CB . 53884 1 335 . 1 . 1 35 35 CYS N N 15 114.928 0.3 . 1 . . . . . 601 CYS N . 53884 1 336 . 1 . 1 36 36 SER H H 1 7.934 0.020 . 1 . . . . . 602 SER H . 53884 1 337 . 1 . 1 36 36 SER HA H 1 4.398 0.020 . 1 . . . . . 602 SER HA . 53884 1 338 . 1 . 1 36 36 SER HB2 H 1 3.899 0.020 . 2 . . . . . 602 SER HB2 . 53884 1 339 . 1 . 1 36 36 SER HB3 H 1 3.863 0.020 . 2 . . . . . 602 SER HB3 . 53884 1 340 . 1 . 1 36 36 SER C C 13 175.186 0.3 . 1 . . . . . 602 SER C . 53884 1 341 . 1 . 1 36 36 SER CA C 13 60.434 0.3 . 1 . . . . . 602 SER CA . 53884 1 342 . 1 . 1 36 36 SER CB C 13 63.994 0.3 . 1 . . . . . 602 SER CB . 53884 1 343 . 1 . 1 36 36 SER N N 15 114.090 0.3 . 1 . . . . . 602 SER N . 53884 1 344 . 1 . 1 37 37 TYR H H 1 7.958 0.020 . 1 . . . . . 603 TYR H . 53884 1 345 . 1 . 1 37 37 TYR HA H 1 4.486 0.020 . 1 . . . . . 603 TYR HA . 53884 1 346 . 1 . 1 37 37 TYR HB2 H 1 3.139 0.020 . 2 . . . . . 603 TYR HB2 . 53884 1 347 . 1 . 1 37 37 TYR HB3 H 1 3.033 0.020 . 2 . . . . . 603 TYR HB3 . 53884 1 348 . 1 . 1 37 37 TYR C C 13 175.806 0.3 . 1 . . . . . 603 TYR C . 53884 1 349 . 1 . 1 37 37 TYR CA C 13 59.735 0.3 . 1 . . . . . 603 TYR CA . 53884 1 350 . 1 . 1 37 37 TYR CB C 13 39.651 0.3 . 1 . . . . . 603 TYR CB . 53884 1 351 . 1 . 1 37 37 TYR N N 15 119.854 0.3 . 1 . . . . . 603 TYR N . 53884 1 352 . 1 . 1 38 38 LEU H H 1 7.724 0.020 . 1 . . . . . 604 LEU H . 53884 1 353 . 1 . 1 38 38 LEU HA H 1 4.407 0.020 . 1 . . . . . 604 LEU HA . 53884 1 354 . 1 . 1 38 38 LEU HB2 H 1 1.739 0.020 . 2 . . . . . 604 LEU HB2 . 53884 1 355 . 1 . 1 38 38 LEU HB3 H 1 1.580 0.020 . 2 . . . . . 604 LEU HB3 . 53884 1 356 . 1 . 1 38 38 LEU HG H 1 1.753 0.020 . 1 . . . . . 604 LEU HG . 53884 1 357 . 1 . 1 38 38 LEU HD11 H 1 0.874 0.020 . 2 . . . . . 604 LEU HD1 . 53884 1 358 . 1 . 1 38 38 LEU HD12 H 1 0.874 0.020 . 2 . . . . . 604 LEU HD1 . 53884 1 359 . 1 . 1 38 38 LEU HD13 H 1 0.874 0.020 . 2 . . . . . 604 LEU HD1 . 53884 1 360 . 1 . 1 38 38 LEU HD21 H 1 0.877 0.020 . 2 . . . . . 604 LEU HD2 . 53884 1 361 . 1 . 1 38 38 LEU HD22 H 1 0.877 0.020 . 2 . . . . . 604 LEU HD2 . 53884 1 362 . 1 . 1 38 38 LEU HD23 H 1 0.877 0.020 . 2 . . . . . 604 LEU HD2 . 53884 1 363 . 1 . 1 38 38 LEU C C 13 176.004 0.3 . 1 . . . . . 604 LEU C . 53884 1 364 . 1 . 1 38 38 LEU CA C 13 54.832 0.3 . 1 . . . . . 604 LEU CA . 53884 1 365 . 1 . 1 38 38 LEU CB C 13 43.584 0.3 . 1 . . . . . 604 LEU CB . 53884 1 366 . 1 . 1 38 38 LEU CG C 13 27.105 0.3 . 1 . . . . . 604 LEU CG . 53884 1 367 . 1 . 1 38 38 LEU CD1 C 13 25.801 0.3 . 1 . . . . . 604 LEU CD1 . 53884 1 368 . 1 . 1 38 38 LEU CD2 C 13 23.917 0.3 . 1 . . . . . 604 LEU CD2 . 53884 1 369 . 1 . 1 38 38 LEU N N 15 117.974 0.3 . 1 . . . . . 604 LEU N . 53884 1 370 . 1 . 1 39 39 ASP H H 1 8.181 0.020 . 1 . . . . . 605 ASP H . 53884 1 371 . 1 . 1 39 39 ASP HA H 1 4.778 0.020 . 1 . . . . . 605 ASP HA . 53884 1 372 . 1 . 1 39 39 ASP HB2 H 1 3.040 0.020 . 2 . . . . . 605 ASP HB2 . 53884 1 373 . 1 . 1 39 39 ASP HB3 H 1 2.513 0.020 . 2 . . . . . 605 ASP HB3 . 53884 1 374 . 1 . 1 39 39 ASP C C 13 175.866 0.3 . 1 . . . . . 605 ASP C . 53884 1 375 . 1 . 1 39 39 ASP CA C 13 53.386 0.3 . 1 . . . . . 605 ASP CA . 53884 1 376 . 1 . 1 39 39 ASP CB C 13 40.388 0.3 . 1 . . . . . 605 ASP CB . 53884 1 377 . 1 . 1 39 39 ASP N N 15 120.091 0.3 . 1 . . . . . 605 ASP N . 53884 1 378 . 1 . 1 40 40 LEU H H 1 8.221 0.020 . 1 . . . . . 606 LEU H . 53884 1 379 . 1 . 1 40 40 LEU HA H 1 4.466 0.020 . 1 . . . . . 606 LEU HA . 53884 1 380 . 1 . 1 40 40 LEU HB2 H 1 1.827 0.020 . 1 . . . . . 606 LEU HB2 . 53884 1 381 . 1 . 1 40 40 LEU HB3 H 1 1.827 0.020 . 1 . . . . . 606 LEU HB3 . 53884 1 382 . 1 . 1 40 40 LEU HG H 1 1.641 0.020 . 1 . . . . . 606 LEU HG . 53884 1 383 . 1 . 1 40 40 LEU HD11 H 1 0.937 0.020 . 2 . . . . . 606 LEU HD1 . 53884 1 384 . 1 . 1 40 40 LEU HD12 H 1 0.937 0.020 . 2 . . . . . 606 LEU HD1 . 53884 1 385 . 1 . 1 40 40 LEU HD13 H 1 0.937 0.020 . 2 . . . . . 606 LEU HD1 . 53884 1 386 . 1 . 1 40 40 LEU HD21 H 1 0.903 0.020 . 2 . . . . . 606 LEU HD2 . 53884 1 387 . 1 . 1 40 40 LEU HD22 H 1 0.903 0.020 . 2 . . . . . 606 LEU HD2 . 53884 1 388 . 1 . 1 40 40 LEU HD23 H 1 0.903 0.020 . 2 . . . . . 606 LEU HD2 . 53884 1 389 . 1 . 1 40 40 LEU CA C 13 57.911 0.3 . 1 . . . . . 606 LEU CA . 53884 1 390 . 1 . 1 40 40 LEU CB C 13 41.849 0.3 . 1 . . . . . 606 LEU CB . 53884 1 391 . 1 . 1 40 40 LEU CD1 C 13 24.617 0.3 . 1 . . . . . 606 LEU CD1 . 53884 1 392 . 1 . 1 40 40 LEU CD2 C 13 24.866 0.3 . 1 . . . . . 606 LEU CD2 . 53884 1 393 . 1 . 1 40 40 LEU N N 15 121.336 0.3 . 1 . . . . . 606 LEU N . 53884 1 394 . 1 . 1 44 44 LEU HA H 1 4.088 0.020 . 1 . . . . . 610 LEU HA . 53884 1 395 . 1 . 1 44 44 LEU HB2 H 1 1.579 0.020 . 1 . . . . . 610 LEU HB2 . 53884 1 396 . 1 . 1 44 44 LEU HB3 H 1 1.579 0.020 . 1 . . . . . 610 LEU HB3 . 53884 1 397 . 1 . 1 44 44 LEU HG H 1 1.760 0.020 . 1 . . . . . 610 LEU HG . 53884 1 398 . 1 . 1 44 44 LEU HD11 H 1 0.903 0.020 . 2 . . . . . 610 LEU HD1 . 53884 1 399 . 1 . 1 44 44 LEU HD12 H 1 0.903 0.020 . 2 . . . . . 610 LEU HD1 . 53884 1 400 . 1 . 1 44 44 LEU HD13 H 1 0.903 0.020 . 2 . . . . . 610 LEU HD1 . 53884 1 401 . 1 . 1 44 44 LEU HD21 H 1 0.874 0.020 . 2 . . . . . 610 LEU HD2 . 53884 1 402 . 1 . 1 44 44 LEU HD22 H 1 0.874 0.020 . 2 . . . . . 610 LEU HD2 . 53884 1 403 . 1 . 1 44 44 LEU HD23 H 1 0.874 0.020 . 2 . . . . . 610 LEU HD2 . 53884 1 404 . 1 . 1 44 44 LEU C C 13 178.794 0.3 . 1 . . . . . 610 LEU C . 53884 1 405 . 1 . 1 44 44 LEU CA C 13 57.612 0.3 . 1 . . . . . 610 LEU CA . 53884 1 406 . 1 . 1 44 44 LEU CB C 13 41.831 0.3 . 1 . . . . . 610 LEU CB . 53884 1 407 . 1 . 1 44 44 LEU CG C 13 27.303 0.3 . 1 . . . . . 610 LEU CG . 53884 1 408 . 1 . 1 44 44 LEU CD1 C 13 25.398 0.3 . 1 . . . . . 610 LEU CD1 . 53884 1 409 . 1 . 1 44 44 LEU CD2 C 13 23.658 0.3 . 1 . . . . . 610 LEU CD2 . 53884 1 410 . 1 . 1 45 45 ARG H H 1 7.979 0.020 . 1 . . . . . 611 ARG H . 53884 1 411 . 1 . 1 45 45 ARG HA H 1 3.913 0.020 . 1 . . . . . 611 ARG HA . 53884 1 412 . 1 . 1 45 45 ARG HB2 H 1 1.849 0.020 . 2 . . . . . 611 ARG HB2 . 53884 1 413 . 1 . 1 45 45 ARG HB3 H 1 1.793 0.020 . 2 . . . . . 611 ARG HB3 . 53884 1 414 . 1 . 1 45 45 ARG HG2 H 1 1.731 0.020 . 2 . . . . . 611 ARG HG2 . 53884 1 415 . 1 . 1 45 45 ARG HG3 H 1 1.508 0.020 . 2 . . . . . 611 ARG HG3 . 53884 1 416 . 1 . 1 45 45 ARG HD2 H 1 3.188 0.020 . 2 . . . . . 611 ARG HD2 . 53884 1 417 . 1 . 1 45 45 ARG HD3 H 1 3.130 0.020 . 2 . . . . . 611 ARG HD3 . 53884 1 418 . 1 . 1 45 45 ARG C C 13 178.769 0.3 . 1 . . . . . 611 ARG C . 53884 1 419 . 1 . 1 45 45 ARG CA C 13 59.903 0.3 . 1 . . . . . 611 ARG CA . 53884 1 420 . 1 . 1 45 45 ARG CB C 13 29.919 0.3 . 1 . . . . . 611 ARG CB . 53884 1 421 . 1 . 1 45 45 ARG CG C 13 28.133 0.3 . 1 . . . . . 611 ARG CG . 53884 1 422 . 1 . 1 45 45 ARG CD C 13 43.723 0.3 . 1 . . . . . 611 ARG CD . 53884 1 423 . 1 . 1 45 45 ARG N N 15 119.264 0.3 . 1 . . . . . 611 ARG N . 53884 1 424 . 1 . 1 46 46 MET H H 1 7.716 0.020 . 1 . . . . . 612 MET H . 53884 1 425 . 1 . 1 46 46 MET HA H 1 4.071 0.020 . 1 . . . . . 612 MET HA . 53884 1 426 . 1 . 1 46 46 MET HB2 H 1 1.793 0.020 . 2 . . . . . 612 MET HB2 . 53884 1 427 . 1 . 1 46 46 MET HB3 H 1 1.735 0.020 . 2 . . . . . 612 MET HB3 . 53884 1 428 . 1 . 1 46 46 MET HG2 H 1 1.975 0.020 . 1 . . . . . 612 MET HG2 . 53884 1 429 . 1 . 1 46 46 MET HG3 H 1 1.975 0.020 . 1 . . . . . 612 MET HG3 . 53884 1 430 . 1 . 1 46 46 MET C C 13 178.448 0.3 . 1 . . . . . 612 MET C . 53884 1 431 . 1 . 1 46 46 MET CA C 13 58.090 0.3 . 1 . . . . . 612 MET CA . 53884 1 432 . 1 . 1 46 46 MET CB C 13 32.200 0.3 . 1 . . . . . 612 MET CB . 53884 1 433 . 1 . 1 46 46 MET CG C 13 31.803 0.3 . 1 . . . . . 612 MET CG . 53884 1 434 . 1 . 1 46 46 MET N N 15 117.799 0.3 . 1 . . . . . 612 MET N . 53884 1 435 . 1 . 1 47 47 VAL H H 1 7.835 0.020 . 1 . . . . . 613 VAL H . 53884 1 436 . 1 . 1 47 47 VAL HA H 1 3.738 0.020 . 1 . . . . . 613 VAL HA . 53884 1 437 . 1 . 1 47 47 VAL HB H 1 2.232 0.020 . 1 . . . . . 613 VAL HB . 53884 1 438 . 1 . 1 47 47 VAL HG11 H 1 1.050 0.020 . 2 . . . . . 613 VAL HG1 . 53884 1 439 . 1 . 1 47 47 VAL HG12 H 1 1.050 0.020 . 2 . . . . . 613 VAL HG1 . 53884 1 440 . 1 . 1 47 47 VAL HG13 H 1 1.050 0.020 . 2 . . . . . 613 VAL HG1 . 53884 1 441 . 1 . 1 47 47 VAL HG21 H 1 0.999 0.020 . 2 . . . . . 613 VAL HG2 . 53884 1 442 . 1 . 1 47 47 VAL HG22 H 1 0.999 0.020 . 2 . . . . . 613 VAL HG2 . 53884 1 443 . 1 . 1 47 47 VAL HG23 H 1 0.999 0.020 . 2 . . . . . 613 VAL HG2 . 53884 1 444 . 1 . 1 47 47 VAL C C 13 177.900 0.3 . 1 . . . . . 613 VAL C . 53884 1 445 . 1 . 1 47 47 VAL CA C 13 66.047 0.3 . 1 . . . . . 613 VAL CA . 53884 1 446 . 1 . 1 47 47 VAL CB C 13 31.826 0.3 . 1 . . . . . 613 VAL CB . 53884 1 447 . 1 . 1 47 47 VAL CG1 C 13 22.740 0.3 . 1 . . . . . 613 VAL CG1 . 53884 1 448 . 1 . 1 47 47 VAL CG2 C 13 21.889 0.3 . 1 . . . . . 613 VAL CG2 . 53884 1 449 . 1 . 1 47 47 VAL N N 15 117.683 0.3 . 1 . . . . . 613 VAL N . 53884 1 450 . 1 . 1 48 48 CYS H H 1 7.962 0.020 . 1 . . . . . 614 CYS H . 53884 1 451 . 1 . 1 48 48 CYS HA H 1 4.217 0.020 . 1 . . . . . 614 CYS HA . 53884 1 452 . 1 . 1 48 48 CYS HB2 H 1 3.007 0.020 . 2 . . . . . 614 CYS HB2 . 53884 1 453 . 1 . 1 48 48 CYS HB3 H 1 2.922 0.020 . 2 . . . . . 614 CYS HB3 . 53884 1 454 . 1 . 1 48 48 CYS C C 13 176.541 0.3 . 1 . . . . . 614 CYS C . 53884 1 455 . 1 . 1 48 48 CYS CA C 13 62.941 0.3 . 1 . . . . . 614 CYS CA . 53884 1 456 . 1 . 1 48 48 CYS CB C 13 27.056 0.3 . 1 . . . . . 614 CYS CB . 53884 1 457 . 1 . 1 48 48 CYS N N 15 117.957 0.3 . 1 . . . . . 614 CYS N . 53884 1 458 . 1 . 1 49 49 GLN H H 1 8.041 0.020 . 1 . . . . . 615 GLN H . 53884 1 459 . 1 . 1 49 49 GLN HA H 1 4.150 0.020 . 1 . . . . . 615 GLN HA . 53884 1 460 . 1 . 1 49 49 GLN HB2 H 1 2.133 0.020 . 1 . . . . . 615 GLN HB2 . 53884 1 461 . 1 . 1 49 49 GLN HB3 H 1 2.133 0.020 . 1 . . . . . 615 GLN HB3 . 53884 1 462 . 1 . 1 49 49 GLN HG2 H 1 2.399 0.020 . 2 . . . . . 615 GLN HG2 . 53884 1 463 . 1 . 1 49 49 GLN HG3 H 1 2.336 0.020 . 2 . . . . . 615 GLN HG3 . 53884 1 464 . 1 . 1 49 49 GLN C C 13 177.945 0.3 . 1 . . . . . 615 GLN C . 53884 1 465 . 1 . 1 49 49 GLN CA C 13 58.358 0.3 . 1 . . . . . 615 GLN CA . 53884 1 466 . 1 . 1 49 49 GLN CB C 13 28.669 0.3 . 1 . . . . . 615 GLN CB . 53884 1 467 . 1 . 1 49 49 GLN CG C 13 34.237 0.3 . 1 . . . . . 615 GLN CG . 53884 1 468 . 1 . 1 49 49 GLN N N 15 119.072 0.3 . 1 . . . . . 615 GLN N . 53884 1 469 . 1 . 1 50 50 TRP H H 1 8.137 0.020 . 1 . . . . . 616 TRP H . 53884 1 470 . 1 . 1 50 50 TRP HA H 1 4.536 0.020 . 1 . . . . . 616 TRP HA . 53884 1 471 . 1 . 1 50 50 TRP HB2 H 1 3.472 0.020 . 2 . . . . . 616 TRP HB2 . 53884 1 472 . 1 . 1 50 50 TRP HB3 H 1 3.395 0.020 . 2 . . . . . 616 TRP HB3 . 53884 1 473 . 1 . 1 50 50 TRP C C 13 177.728 0.3 . 1 . . . . . 616 TRP C . 53884 1 474 . 1 . 1 50 50 TRP CA C 13 59.715 0.3 . 1 . . . . . 616 TRP CA . 53884 1 475 . 1 . 1 50 50 TRP CB C 13 29.219 0.3 . 1 . . . . . 616 TRP CB . 53884 1 476 . 1 . 1 50 50 TRP N N 15 120.678 0.3 . 1 . . . . . 616 TRP N . 53884 1 477 . 1 . 1 51 51 THR H H 1 7.938 0.020 . 1 . . . . . 617 THR H . 53884 1 478 . 1 . 1 51 51 THR HA H 1 4.038 0.020 . 1 . . . . . 617 THR HA . 53884 1 479 . 1 . 1 51 51 THR HB H 1 4.312 0.020 . 1 . . . . . 617 THR HB . 53884 1 480 . 1 . 1 51 51 THR HG21 H 1 1.305 0.020 . 1 . . . . . 617 THR HG2 . 53884 1 481 . 1 . 1 51 51 THR HG22 H 1 1.305 0.020 . 1 . . . . . 617 THR HG2 . 53884 1 482 . 1 . 1 51 51 THR HG23 H 1 1.305 0.020 . 1 . . . . . 617 THR HG2 . 53884 1 483 . 1 . 1 51 51 THR C C 13 175.290 0.3 . 1 . . . . . 617 THR C . 53884 1 484 . 1 . 1 51 51 THR CA C 13 63.876 0.3 . 1 . . . . . 617 THR CA . 53884 1 485 . 1 . 1 51 51 THR CB C 13 69.737 0.3 . 1 . . . . . 617 THR CB . 53884 1 486 . 1 . 1 51 51 THR CG2 C 13 22.153 0.3 . 1 . . . . . 617 THR CG2 . 53884 1 487 . 1 . 1 51 51 THR N N 15 109.869 0.3 . 1 . . . . . 617 THR N . 53884 1 488 . 1 . 1 52 52 GLN H H 1 7.739 0.020 . 1 . . . . . 618 GLN H . 53884 1 489 . 1 . 1 52 52 GLN HA H 1 4.324 0.020 . 1 . . . . . 618 GLN HA . 53884 1 490 . 1 . 1 52 52 GLN HB2 H 1 2.203 0.020 . 2 . . . . . 618 GLN HB2 . 53884 1 491 . 1 . 1 52 52 GLN HB3 H 1 2.102 0.020 . 2 . . . . . 618 GLN HB3 . 53884 1 492 . 1 . 1 52 52 GLN HG2 H 1 2.447 0.020 . 2 . . . . . 618 GLN HG2 . 53884 1 493 . 1 . 1 52 52 GLN HG3 H 1 2.430 0.020 . 2 . . . . . 618 GLN HG3 . 53884 1 494 . 1 . 1 52 52 GLN C C 13 176.523 0.3 . 1 . . . . . 618 GLN C . 53884 1 495 . 1 . 1 52 52 GLN CA C 13 56.585 0.3 . 1 . . . . . 618 GLN CA . 53884 1 496 . 1 . 1 52 52 GLN CB C 13 29.523 0.3 . 1 . . . . . 618 GLN CB . 53884 1 497 . 1 . 1 52 52 GLN CG C 13 34.247 0.3 . 1 . . . . . 618 GLN CG . 53884 1 498 . 1 . 1 52 52 GLN N N 15 119.663 0.3 . 1 . . . . . 618 GLN N . 53884 1 499 . 1 . 1 53 53 THR H H 1 7.835 0.020 . 1 . . . . . 619 THR H . 53884 1 500 . 1 . 1 53 53 THR HA H 1 4.295 0.020 . 1 . . . . . 619 THR HA . 53884 1 501 . 1 . 1 53 53 THR HB H 1 4.222 0.020 . 1 . . . . . 619 THR HB . 53884 1 502 . 1 . 1 53 53 THR HG21 H 1 1.242 0.020 . 1 . . . . . 619 THR HG2 . 53884 1 503 . 1 . 1 53 53 THR HG22 H 1 1.242 0.020 . 1 . . . . . 619 THR HG2 . 53884 1 504 . 1 . 1 53 53 THR HG23 H 1 1.242 0.020 . 1 . . . . . 619 THR HG2 . 53884 1 505 . 1 . 1 53 53 THR C C 13 174.499 0.3 . 1 . . . . . 619 THR C . 53884 1 506 . 1 . 1 53 53 THR CA C 13 62.639 0.3 . 1 . . . . . 619 THR CA . 53884 1 507 . 1 . 1 53 53 THR CB C 13 69.996 0.3 . 1 . . . . . 619 THR CB . 53884 1 508 . 1 . 1 53 53 THR CG2 C 13 21.832 0.3 . 1 . . . . . 619 THR CG2 . 53884 1 509 . 1 . 1 53 53 THR N N 15 113.619 0.3 . 1 . . . . . 619 THR N . 53884 1 510 . 1 . 1 54 54 ARG H H 1 8.010 0.020 . 1 . . . . . 620 ARG H . 53884 1 511 . 1 . 1 54 54 ARG HA H 1 4.319 0.020 . 1 . . . . . 620 ARG HA . 53884 1 512 . 1 . 1 54 54 ARG HB2 H 1 1.833 0.020 . 2 . . . . . 620 ARG HB2 . 53884 1 513 . 1 . 1 54 54 ARG HB3 H 1 1.702 0.020 . 2 . . . . . 620 ARG HB3 . 53884 1 514 . 1 . 1 54 54 ARG HG2 H 1 1.549 0.020 . 1 . . . . . 620 ARG HG2 . 53884 1 515 . 1 . 1 54 54 ARG HG3 H 1 1.549 0.020 . 1 . . . . . 620 ARG HG3 . 53884 1 516 . 1 . 1 54 54 ARG HD2 H 1 3.036 0.020 . 1 . . . . . 620 ARG HD2 . 53884 1 517 . 1 . 1 54 54 ARG HD3 H 1 3.036 0.020 . 1 . . . . . 620 ARG HD3 . 53884 1 518 . 1 . 1 54 54 ARG C C 13 175.186 0.3 . 1 . . . . . 620 ARG C . 53884 1 519 . 1 . 1 54 54 ARG CA C 13 56.189 0.3 . 1 . . . . . 620 ARG CA . 53884 1 520 . 1 . 1 54 54 ARG CB C 13 30.753 0.3 . 1 . . . . . 620 ARG CB . 53884 1 521 . 1 . 1 54 54 ARG CG C 13 27.010 0.3 . 1 . . . . . 620 ARG CG . 53884 1 522 . 1 . 1 54 54 ARG CD C 13 43.386 0.3 . 1 . . . . . 620 ARG CD . 53884 1 523 . 1 . 1 54 54 ARG N N 15 123.674 0.3 . 1 . . . . . 620 ARG N . 53884 1 524 . 1 . 1 55 55 ARG H H 1 7.807 0.020 . 1 . . . . . 621 ARG H . 53884 1 525 . 1 . 1 55 55 ARG HA H 1 4.179 0.020 . 1 . . . . . 621 ARG HA . 53884 1 526 . 1 . 1 55 55 ARG HB2 H 1 1.851 0.020 . 2 . . . . . 621 ARG HB2 . 53884 1 527 . 1 . 1 55 55 ARG HB3 H 1 1.707 0.020 . 2 . . . . . 621 ARG HB3 . 53884 1 528 . 1 . 1 55 55 ARG HG2 H 1 1.592 0.020 . 1 . . . . . 621 ARG HG2 . 53884 1 529 . 1 . 1 55 55 ARG HG3 H 1 1.592 0.020 . 1 . . . . . 621 ARG HG3 . 53884 1 530 . 1 . 1 55 55 ARG HD2 H 1 3.185 0.020 . 1 . . . . . 621 ARG HD2 . 53884 1 531 . 1 . 1 55 55 ARG HD3 H 1 3.185 0.020 . 1 . . . . . 621 ARG HD3 . 53884 1 532 . 1 . 1 55 55 ARG CA C 13 57.580 0.3 . 1 . . . . . 621 ARG CA . 53884 1 533 . 1 . 1 55 55 ARG CB C 13 31.868 0.3 . 1 . . . . . 621 ARG CB . 53884 1 534 . 1 . 1 55 55 ARG CG C 13 27.431 0.3 . 1 . . . . . 621 ARG CG . 53884 1 535 . 1 . 1 55 55 ARG CD C 13 43.755 0.3 . 1 . . . . . 621 ARG CD . 53884 1 536 . 1 . 1 55 55 ARG N N 15 127.452 0.3 . 1 . . . . . 621 ARG N . 53884 1 stop_ save_