################################### # 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 30623 _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-15N HSQC' . . . 30623 1 2 '2D 1H-13C HSQC' . . . 30623 1 3 '2D 1H-13C HSQC aromatic' . . . 30623 1 4 '3D HNCO' . . . 30623 1 5 '3D HN(CO)CA' . . . 30623 1 6 '3D HNCA' . . . 30623 1 7 '3D CBCA(CO)NH' . . . 30623 1 8 '3D HNCACB' . . . 30623 1 9 '3D 1H-15N NOESY' . . . 30623 1 10 '3D 1H-13C NOESY aromatic' . . . 30623 1 11 '3D 1H-13C NOESY' . . . 30623 1 12 '3D HCCH-TOCSY' . . . 30623 1 13 '3D HCCH-COSY' . . . 30623 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 3 3 LYS H H 1 8.267 0.00 . . . . . . X 314 LYS H . 30623 1 2 . 1 . 1 3 3 LYS HA H 1 4.159 0.00 . . . . . . X 314 LYS HA . 30623 1 3 . 1 . 1 3 3 LYS HB2 H 1 1.622 0.00 . . . . . . X 314 LYS HB2 . 30623 1 4 . 1 . 1 3 3 LYS HB3 H 1 1.622 0.00 . . . . . . X 314 LYS HB3 . 30623 1 5 . 1 . 1 3 3 LYS HG2 H 1 1.209 0.00 . . . . . . X 314 LYS HG2 . 30623 1 6 . 1 . 1 3 3 LYS HG3 H 1 1.177 0.00 . . . . . . X 314 LYS HG3 . 30623 1 7 . 1 . 1 3 3 LYS HD2 H 1 1.567 0.00 . . . . . . X 314 LYS HD2 . 30623 1 8 . 1 . 1 3 3 LYS HD3 H 1 1.567 0.00 . . . . . . X 314 LYS HD3 . 30623 1 9 . 1 . 1 3 3 LYS HE2 H 1 2.915 0.00 . . . . . . X 314 LYS HE2 . 30623 1 10 . 1 . 1 3 3 LYS HE3 H 1 2.915 0.00 . . . . . . X 314 LYS HE3 . 30623 1 11 . 1 . 1 3 3 LYS CA C 13 56.725 0.00 . . . . . . X 314 LYS CA . 30623 1 12 . 1 . 1 3 3 LYS CB C 13 32.706 0.00 . . . . . . X 314 LYS CB . 30623 1 13 . 1 . 1 3 3 LYS CG C 13 24.665 0.01 . . . . . . X 314 LYS CG . 30623 1 14 . 1 . 1 3 3 LYS CD C 13 29.093 0.00 . . . . . . X 314 LYS CD . 30623 1 15 . 1 . 1 3 3 LYS CE C 13 42.152 0.00 . . . . . . X 314 LYS CE . 30623 1 16 . 1 . 1 3 3 LYS N N 15 121.471 0.00 . . . . . . X 314 LYS N . 30623 1 17 . 1 . 1 4 4 TYR H H 1 8.082 0.00 . . . . . . X 315 TYR H . 30623 1 18 . 1 . 1 4 4 TYR HA H 1 4.514 0.00 . . . . . . X 315 TYR HA . 30623 1 19 . 1 . 1 4 4 TYR HB2 H 1 3.025 0.00 . . . . . . X 315 TYR HB2 . 30623 1 20 . 1 . 1 4 4 TYR HB3 H 1 2.880 0.00 . . . . . . X 315 TYR HB3 . 30623 1 21 . 1 . 1 4 4 TYR HD1 H 1 7.063 0.00 . . . . . . X 315 TYR HD1 . 30623 1 22 . 1 . 1 4 4 TYR HD2 H 1 7.063 0.00 . . . . . . X 315 TYR HD2 . 30623 1 23 . 1 . 1 4 4 TYR HE1 H 1 6.783 0.01 . . . . . . X 315 TYR HE1 . 30623 1 24 . 1 . 1 4 4 TYR HE2 H 1 6.783 0.01 . . . . . . X 315 TYR HE2 . 30623 1 25 . 1 . 1 4 4 TYR CA C 13 57.699 0.00 . . . . . . X 315 TYR CA . 30623 1 26 . 1 . 1 4 4 TYR CB C 13 38.617 0.02 . . . . . . X 315 TYR CB . 30623 1 27 . 1 . 1 4 4 TYR CD1 C 13 133.171 0.00 . . . . . . X 315 TYR CD1 . 30623 1 28 . 1 . 1 4 4 TYR CD2 C 13 133.171 0.00 . . . . . . X 315 TYR CD2 . 30623 1 29 . 1 . 1 4 4 TYR CE1 C 13 118.253 0.00 . . . . . . X 315 TYR CE1 . 30623 1 30 . 1 . 1 4 4 TYR CE2 C 13 118.253 0.00 . . . . . . X 315 TYR CE2 . 30623 1 31 . 1 . 1 4 4 TYR N N 15 120.875 0.00 . . . . . . X 315 TYR N . 30623 1 32 . 1 . 1 5 5 LYS H H 1 8.160 0.00 . . . . . . X 316 LYS H . 30623 1 33 . 1 . 1 5 5 LYS HA H 1 4.102 0.00 . . . . . . X 316 LYS HA . 30623 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.665 0.00 . . . . . . X 316 LYS HB2 . 30623 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.663 0.00 . . . . . . X 316 LYS HB3 . 30623 1 36 . 1 . 1 5 5 LYS HG2 H 1 1.137 0.00 . . . . . . X 316 LYS HG2 . 30623 1 37 . 1 . 1 5 5 LYS HG3 H 1 1.136 0.00 . . . . . . X 316 LYS HG3 . 30623 1 38 . 1 . 1 5 5 LYS HD2 H 1 1.415 0.00 . . . . . . X 316 LYS HD2 . 30623 1 39 . 1 . 1 5 5 LYS HD3 H 1 1.415 0.00 . . . . . . X 316 LYS HD3 . 30623 1 40 . 1 . 1 5 5 LYS HE2 H 1 2.860 0.00 . . . . . . X 316 LYS HE2 . 30623 1 41 . 1 . 1 5 5 LYS HE3 H 1 2.860 0.00 . . . . . . X 316 LYS HE3 . 30623 1 42 . 1 . 1 5 5 LYS CA C 13 56.674 0.00 . . . . . . X 316 LYS CA . 30623 1 43 . 1 . 1 5 5 LYS CB C 13 32.507 0.00 . . . . . . X 316 LYS CB . 30623 1 44 . 1 . 1 5 5 LYS CG C 13 24.746 0.01 . . . . . . X 316 LYS CG . 30623 1 45 . 1 . 1 5 5 LYS CD C 13 29.232 0.00 . . . . . . X 316 LYS CD . 30623 1 46 . 1 . 1 5 5 LYS CE C 13 42.276 0.00 . . . . . . X 316 LYS CE . 30623 1 47 . 1 . 1 5 5 LYS N N 15 122.176 0.00 . . . . . . X 316 LYS N . 30623 1 48 . 1 . 1 6 6 THR H H 1 8.313 0.00 . . . . . . X 317 THR H . 30623 1 49 . 1 . 1 6 6 THR HA H 1 4.386 0.00 . . . . . . X 317 THR HA . 30623 1 50 . 1 . 1 6 6 THR HB H 1 4.231 0.00 . . . . . . X 317 THR HB . 30623 1 51 . 1 . 1 6 6 THR HG21 H 1 1.160 0.00 . . . . . . X 317 THR HG21 . 30623 1 52 . 1 . 1 6 6 THR HG22 H 1 1.160 0.00 . . . . . . X 317 THR HG22 . 30623 1 53 . 1 . 1 6 6 THR HG23 H 1 1.160 0.00 . . . . . . X 317 THR HG23 . 30623 1 54 . 1 . 1 6 6 THR CA C 13 61.888 0.00 . . . . . . X 317 THR CA . 30623 1 55 . 1 . 1 6 6 THR CB C 13 70.397 0.00 . . . . . . X 317 THR CB . 30623 1 56 . 1 . 1 6 6 THR CG2 C 13 21.852 0.00 . . . . . . X 317 THR CG2 . 30623 1 57 . 1 . 1 6 6 THR N N 15 111.565 0.00 . . . . . . X 317 THR N . 30623 1 58 . 1 . 1 7 7 LYS H H 1 8.177 0.00 . . . . . . X 318 LYS H . 30623 1 59 . 1 . 1 7 7 LYS HA H 1 4.543 0.00 . . . . . . X 318 LYS HA . 30623 1 60 . 1 . 1 7 7 LYS HB2 H 1 1.955 0.00 . . . . . . X 318 LYS HB2 . 30623 1 61 . 1 . 1 7 7 LYS HB3 H 1 1.880 0.00 . . . . . . X 318 LYS HB3 . 30623 1 62 . 1 . 1 7 7 LYS HG2 H 1 1.516 0.00 . . . . . . X 318 LYS HG2 . 30623 1 63 . 1 . 1 7 7 LYS HG3 H 1 1.472 0.00 . . . . . . X 318 LYS HG3 . 30623 1 64 . 1 . 1 7 7 LYS HD2 H 1 1.689 0.00 . . . . . . X 318 LYS HD2 . 30623 1 65 . 1 . 1 7 7 LYS HD3 H 1 1.686 0.00 . . . . . . X 318 LYS HD3 . 30623 1 66 . 1 . 1 7 7 LYS HE2 H 1 2.955 0.00 . . . . . . X 318 LYS HE2 . 30623 1 67 . 1 . 1 7 7 LYS HE3 H 1 2.955 0.00 . . . . . . X 318 LYS HE3 . 30623 1 68 . 1 . 1 7 7 LYS CA C 13 55.512 0.00 . . . . . . X 318 LYS CA . 30623 1 69 . 1 . 1 7 7 LYS CB C 13 34.508 0.00 . . . . . . X 318 LYS CB . 30623 1 70 . 1 . 1 7 7 LYS CG C 13 24.869 0.01 . . . . . . X 318 LYS CG . 30623 1 71 . 1 . 1 7 7 LYS CD C 13 29.312 0.01 . . . . . . X 318 LYS CD . 30623 1 72 . 1 . 1 7 7 LYS CE C 13 42.236 0.01 . . . . . . X 318 LYS CE . 30623 1 73 . 1 . 1 7 7 LYS N N 15 123.524 0.00 . . . . . . X 318 LYS N . 30623 1 74 . 1 . 1 8 8 LEU H H 1 8.373 0.00 . . . . . . X 319 LEU H . 30623 1 75 . 1 . 1 8 8 LEU HA H 1 4.204 0.00 . . . . . . X 319 LEU HA . 30623 1 76 . 1 . 1 8 8 LEU HB2 H 1 1.600 0.00 . . . . . . X 319 LEU HB2 . 30623 1 77 . 1 . 1 8 8 LEU HB3 H 1 1.505 0.00 . . . . . . X 319 LEU HB3 . 30623 1 78 . 1 . 1 8 8 LEU HG H 1 1.754 0.00 . . . . . . X 319 LEU HG . 30623 1 79 . 1 . 1 8 8 LEU HD11 H 1 0.806 0.00 . . . . . . X 319 LEU HD11 . 30623 1 80 . 1 . 1 8 8 LEU HD12 H 1 0.806 0.00 . . . . . . X 319 LEU HD12 . 30623 1 81 . 1 . 1 8 8 LEU HD13 H 1 0.806 0.00 . . . . . . X 319 LEU HD13 . 30623 1 82 . 1 . 1 8 8 LEU HD21 H 1 0.867 0.00 . . . . . . X 319 LEU HD21 . 30623 1 83 . 1 . 1 8 8 LEU HD22 H 1 0.867 0.00 . . . . . . X 319 LEU HD22 . 30623 1 84 . 1 . 1 8 8 LEU HD23 H 1 0.867 0.00 . . . . . . X 319 LEU HD23 . 30623 1 85 . 1 . 1 8 8 LEU CA C 13 55.603 0.00 . . . . . . X 319 LEU CA . 30623 1 86 . 1 . 1 8 8 LEU CB C 13 42.790 0.01 . . . . . . X 319 LEU CB . 30623 1 87 . 1 . 1 8 8 LEU CG C 13 26.316 0.00 . . . . . . X 319 LEU CG . 30623 1 88 . 1 . 1 8 8 LEU CD1 C 13 25.115 0.00 . . . . . . X 319 LEU CD1 . 30623 1 89 . 1 . 1 8 8 LEU CD2 C 13 23.517 0.00 . . . . . . X 319 LEU CD2 . 30623 1 90 . 1 . 1 8 8 LEU N N 15 124.784 0.00 . . . . . . X 319 LEU N . 30623 1 91 . 1 . 1 9 9 CYS H H 1 9.014 0.00 . . . . . . X 320 CYS H . 30623 1 92 . 1 . 1 9 9 CYS HA H 1 3.726 0.00 . . . . . . X 320 CYS HA . 30623 1 93 . 1 . 1 9 9 CYS HB2 H 1 3.315 0.00 . . . . . . X 320 CYS HB2 . 30623 1 94 . 1 . 1 9 9 CYS HB3 H 1 3.176 0.00 . . . . . . X 320 CYS HB3 . 30623 1 95 . 1 . 1 9 9 CYS CA C 13 61.427 0.00 . . . . . . X 320 CYS CA . 30623 1 96 . 1 . 1 9 9 CYS CB C 13 31.827 0.00 . . . . . . X 320 CYS CB . 30623 1 97 . 1 . 1 9 9 CYS N N 15 128.412 0.00 . . . . . . X 320 CYS N . 30623 1 98 . 1 . 1 10 10 LYS H H 1 8.560 0.00 . . . . . . X 321 LYS H . 30623 1 99 . 1 . 1 10 10 LYS HA H 1 4.046 0.00 . . . . . . X 321 LYS HA . 30623 1 100 . 1 . 1 10 10 LYS HB2 H 1 1.828 0.00 . . . . . . X 321 LYS HB2 . 30623 1 101 . 1 . 1 10 10 LYS HB3 H 1 1.777 0.00 . . . . . . X 321 LYS HB3 . 30623 1 102 . 1 . 1 10 10 LYS HG2 H 1 1.449 0.00 . . . . . . X 321 LYS HG2 . 30623 1 103 . 1 . 1 10 10 LYS HG3 H 1 1.302 0.00 . . . . . . X 321 LYS HG3 . 30623 1 104 . 1 . 1 10 10 LYS HD2 H 1 1.612 0.00 . . . . . . X 321 LYS HD2 . 30623 1 105 . 1 . 1 10 10 LYS HD3 H 1 1.614 0.00 . . . . . . X 321 LYS HD3 . 30623 1 106 . 1 . 1 10 10 LYS HE2 H 1 2.985 0.00 . . . . . . X 321 LYS HE2 . 30623 1 107 . 1 . 1 10 10 LYS HE3 H 1 2.986 0.00 . . . . . . X 321 LYS HE3 . 30623 1 108 . 1 . 1 10 10 LYS CA C 13 58.960 0.00 . . . . . . X 321 LYS CA . 30623 1 109 . 1 . 1 10 10 LYS CB C 13 31.815 0.00 . . . . . . X 321 LYS CB . 30623 1 110 . 1 . 1 10 10 LYS CG C 13 24.100 0.02 . . . . . . X 321 LYS CG . 30623 1 111 . 1 . 1 10 10 LYS CD C 13 29.200 0.01 . . . . . . X 321 LYS CD . 30623 1 112 . 1 . 1 10 10 LYS CE C 13 42.065 0.00 . . . . . . X 321 LYS CE . 30623 1 113 . 1 . 1 10 10 LYS N N 15 130.418 0.00 . . . . . . X 321 LYS N . 30623 1 114 . 1 . 1 11 11 ASN H H 1 8.361 0.00 . . . . . . X 322 ASN H . 30623 1 115 . 1 . 1 11 11 ASN HA H 1 4.634 0.00 . . . . . . X 322 ASN HA . 30623 1 116 . 1 . 1 11 11 ASN HB2 H 1 2.651 0.00 . . . . . . X 322 ASN HB2 . 30623 1 117 . 1 . 1 11 11 ASN HB3 H 1 2.539 0.00 . . . . . . X 322 ASN HB3 . 30623 1 118 . 1 . 1 11 11 ASN HD21 H 1 7.650 0.00 . . . . . . X 322 ASN HD21 . 30623 1 119 . 1 . 1 11 11 ASN HD22 H 1 7.450 0.00 . . . . . . X 322 ASN HD22 . 30623 1 120 . 1 . 1 11 11 ASN CA C 13 56.076 0.00 . . . . . . X 322 ASN CA . 30623 1 121 . 1 . 1 11 11 ASN CB C 13 38.320 0.02 . . . . . . X 322 ASN CB . 30623 1 122 . 1 . 1 11 11 ASN N N 15 118.326 0.00 . . . . . . X 322 ASN N . 30623 1 123 . 1 . 1 11 11 ASN ND2 N 15 118.656 0.00 . . . . . . X 322 ASN ND2 . 30623 1 124 . 1 . 1 12 12 PHE H H 1 8.073 0.00 . . . . . . X 323 PHE H . 30623 1 125 . 1 . 1 12 12 PHE HA H 1 4.506 0.00 . . . . . . X 323 PHE HA . 30623 1 126 . 1 . 1 12 12 PHE HB2 H 1 3.375 0.00 . . . . . . X 323 PHE HB2 . 30623 1 127 . 1 . 1 12 12 PHE HB3 H 1 2.637 0.00 . . . . . . X 323 PHE HB3 . 30623 1 128 . 1 . 1 12 12 PHE HD1 H 1 7.080 0.01 . . . . . . X 323 PHE HD1 . 30623 1 129 . 1 . 1 12 12 PHE HD2 H 1 7.080 0.01 . . . . . . X 323 PHE HD2 . 30623 1 130 . 1 . 1 12 12 PHE HE1 H 1 6.712 0.01 . . . . . . X 323 PHE HE1 . 30623 1 131 . 1 . 1 12 12 PHE HE2 H 1 6.712 0.01 . . . . . . X 323 PHE HE2 . 30623 1 132 . 1 . 1 12 12 PHE HZ H 1 6.987 0.00 . . . . . . X 323 PHE HZ . 30623 1 133 . 1 . 1 12 12 PHE CA C 13 58.091 0.00 . . . . . . X 323 PHE CA . 30623 1 134 . 1 . 1 12 12 PHE CB C 13 40.141 0.02 . . . . . . X 323 PHE CB . 30623 1 135 . 1 . 1 12 12 PHE CD1 C 13 131.368 0.00 . . . . . . X 323 PHE CD1 . 30623 1 136 . 1 . 1 12 12 PHE CD2 C 13 131.368 0.00 . . . . . . X 323 PHE CD2 . 30623 1 137 . 1 . 1 12 12 PHE CE1 C 13 131.358 0.00 . . . . . . X 323 PHE CE1 . 30623 1 138 . 1 . 1 12 12 PHE CE2 C 13 131.358 0.00 . . . . . . X 323 PHE CE2 . 30623 1 139 . 1 . 1 12 12 PHE CZ C 13 129.457 0.00 . . . . . . X 323 PHE CZ . 30623 1 140 . 1 . 1 12 12 PHE N N 15 117.166 0.00 . . . . . . X 323 PHE N . 30623 1 141 . 1 . 1 13 13 ALA H H 1 7.237 0.00 . . . . . . X 324 ALA H . 30623 1 142 . 1 . 1 13 13 ALA HA H 1 4.377 0.00 . . . . . . X 324 ALA HA . 30623 1 143 . 1 . 1 13 13 ALA HB1 H 1 1.452 0.00 . . . . . . X 324 ALA HB1 . 30623 1 144 . 1 . 1 13 13 ALA HB2 H 1 1.452 0.00 . . . . . . X 324 ALA HB2 . 30623 1 145 . 1 . 1 13 13 ALA HB3 H 1 1.452 0.00 . . . . . . X 324 ALA HB3 . 30623 1 146 . 1 . 1 13 13 ALA CA C 13 51.606 0.00 . . . . . . X 324 ALA CA . 30623 1 147 . 1 . 1 13 13 ALA CB C 13 19.913 0.00 . . . . . . X 324 ALA CB . 30623 1 148 . 1 . 1 13 13 ALA N N 15 123.142 0.00 . . . . . . X 324 ALA N . 30623 1 149 . 1 . 1 14 14 ARG H H 1 8.419 0.00 . . . . . . X 325 ARG H . 30623 1 150 . 1 . 1 14 14 ARG HA H 1 4.102 0.00 . . . . . . X 325 ARG HA . 30623 1 151 . 1 . 1 14 14 ARG HB2 H 1 1.825 0.00 . . . . . . X 325 ARG HB2 . 30623 1 152 . 1 . 1 14 14 ARG HB3 H 1 1.781 0.00 . . . . . . X 325 ARG HB3 . 30623 1 153 . 1 . 1 14 14 ARG HG2 H 1 1.706 0.00 . . . . . . X 325 ARG HG2 . 30623 1 154 . 1 . 1 14 14 ARG HG3 H 1 1.599 0.00 . . . . . . X 325 ARG HG3 . 30623 1 155 . 1 . 1 14 14 ARG HD2 H 1 3.224 0.00 . . . . . . X 325 ARG HD2 . 30623 1 156 . 1 . 1 14 14 ARG HD3 H 1 3.224 0.00 . . . . . . X 325 ARG HD3 . 30623 1 157 . 1 . 1 14 14 ARG CA C 13 58.442 0.00 . . . . . . X 325 ARG CA . 30623 1 158 . 1 . 1 14 14 ARG CB C 13 29.587 0.01 . . . . . . X 325 ARG CB . 30623 1 159 . 1 . 1 14 14 ARG CG C 13 27.085 0.00 . . . . . . X 325 ARG CG . 30623 1 160 . 1 . 1 14 14 ARG CD C 13 43.324 0.00 . . . . . . X 325 ARG CD . 30623 1 161 . 1 . 1 14 14 ARG N N 15 121.289 0.00 . . . . . . X 325 ARG N . 30623 1 162 . 1 . 1 15 15 GLY H H 1 8.850 0.00 . . . . . . X 326 GLY H . 30623 1 163 . 1 . 1 15 15 GLY HA2 H 1 4.091 0.00 . . . . . . X 326 GLY HA2 . 30623 1 164 . 1 . 1 15 15 GLY HA3 H 1 3.775 0.00 . . . . . . X 326 GLY HA3 . 30623 1 165 . 1 . 1 15 15 GLY CA C 13 45.258 0.00 . . . . . . X 326 GLY CA . 30623 1 166 . 1 . 1 15 15 GLY N N 15 113.968 0.00 . . . . . . X 326 GLY N . 30623 1 167 . 1 . 1 16 16 GLY H H 1 8.380 0.00 . . . . . . X 327 GLY H . 30623 1 168 . 1 . 1 16 16 GLY HA2 H 1 4.157 0.00 . . . . . . X 327 GLY HA2 . 30623 1 169 . 1 . 1 16 16 GLY HA3 H 1 3.735 0.00 . . . . . . X 327 GLY HA3 . 30623 1 170 . 1 . 1 16 16 GLY CA C 13 44.504 0.01 . . . . . . X 327 GLY CA . 30623 1 171 . 1 . 1 16 16 GLY N N 15 108.717 0.00 . . . . . . X 327 GLY N . 30623 1 172 . 1 . 1 17 17 THR H H 1 8.462 0.00 . . . . . . X 328 THR H . 30623 1 173 . 1 . 1 17 17 THR HA H 1 4.179 0.00 . . . . . . X 328 THR HA . 30623 1 174 . 1 . 1 17 17 THR HB H 1 4.294 0.00 . . . . . . X 328 THR HB . 30623 1 175 . 1 . 1 17 17 THR HG21 H 1 1.307 0.00 . . . . . . X 328 THR HG21 . 30623 1 176 . 1 . 1 17 17 THR HG22 H 1 1.307 0.00 . . . . . . X 328 THR HG22 . 30623 1 177 . 1 . 1 17 17 THR HG23 H 1 1.307 0.00 . . . . . . X 328 THR HG23 . 30623 1 178 . 1 . 1 17 17 THR CA C 13 62.854 0.00 . . . . . . X 328 THR CA . 30623 1 179 . 1 . 1 17 17 THR CB C 13 70.135 0.00 . . . . . . X 328 THR CB . 30623 1 180 . 1 . 1 17 17 THR CG2 C 13 21.879 0.00 . . . . . . X 328 THR CG2 . 30623 1 181 . 1 . 1 17 17 THR N N 15 110.901 0.00 . . . . . . X 328 THR N . 30623 1 182 . 1 . 1 18 18 GLY H H 1 8.514 0.00 . . . . . . X 329 GLY H . 30623 1 183 . 1 . 1 18 18 GLY HA2 H 1 3.885 0.00 . . . . . . X 329 GLY HA2 . 30623 1 184 . 1 . 1 18 18 GLY HA3 H 1 3.103 0.00 . . . . . . X 329 GLY HA3 . 30623 1 185 . 1 . 1 18 18 GLY CA C 13 45.471 0.01 . . . . . . X 329 GLY CA . 30623 1 186 . 1 . 1 18 18 GLY N N 15 109.549 0.00 . . . . . . X 329 GLY N . 30623 1 187 . 1 . 1 19 19 PHE H H 1 7.326 0.00 . . . . . . X 330 PHE H . 30623 1 188 . 1 . 1 19 19 PHE HA H 1 4.388 0.00 . . . . . . X 330 PHE HA . 30623 1 189 . 1 . 1 19 19 PHE HB2 H 1 2.878 0.00 . . . . . . X 330 PHE HB2 . 30623 1 190 . 1 . 1 19 19 PHE HB3 H 1 2.641 0.00 . . . . . . X 330 PHE HB3 . 30623 1 191 . 1 . 1 19 19 PHE HD1 H 1 7.264 0.00 . . . . . . X 330 PHE HD1 . 30623 1 192 . 1 . 1 19 19 PHE HD2 H 1 7.264 0.00 . . . . . . X 330 PHE HD2 . 30623 1 193 . 1 . 1 19 19 PHE CA C 13 56.788 0.00 . . . . . . X 330 PHE CA . 30623 1 194 . 1 . 1 19 19 PHE CB C 13 41.149 0.01 . . . . . . X 330 PHE CB . 30623 1 195 . 1 . 1 19 19 PHE N N 15 117.872 0.00 . . . . . . X 330 PHE N . 30623 1 196 . 1 . 1 20 20 CYS H H 1 8.226 0.00 . . . . . . X 331 CYS H . 30623 1 197 . 1 . 1 20 20 CYS HB2 H 1 2.860 0.00 . . . . . . X 331 CYS HB2 . 30623 1 198 . 1 . 1 20 20 CYS HB3 H 1 2.459 0.00 . . . . . . X 331 CYS HB3 . 30623 1 199 . 1 . 1 20 20 CYS CB C 13 32.532 0.00 . . . . . . X 331 CYS CB . 30623 1 200 . 1 . 1 20 20 CYS N N 15 127.911 0.00 . . . . . . X 331 CYS N . 30623 1 201 . 1 . 1 21 21 PRO HA H 1 4.201 0.00 . . . . . . X 332 PRO HA . 30623 1 202 . 1 . 1 21 21 PRO HB2 H 1 2.251 0.00 . . . . . . X 332 PRO HB2 . 30623 1 203 . 1 . 1 21 21 PRO HB3 H 1 1.606 0.00 . . . . . . X 332 PRO HB3 . 30623 1 204 . 1 . 1 21 21 PRO HG2 H 1 1.867 0.00 . . . . . . X 332 PRO HG2 . 30623 1 205 . 1 . 1 21 21 PRO HG3 H 1 1.323 0.00 . . . . . . X 332 PRO HG3 . 30623 1 206 . 1 . 1 21 21 PRO HD2 H 1 3.923 0.00 . . . . . . X 332 PRO HD2 . 30623 1 207 . 1 . 1 21 21 PRO HD3 H 1 3.531 0.00 . . . . . . X 332 PRO HD3 . 30623 1 208 . 1 . 1 21 21 PRO CA C 13 63.771 0.00 . . . . . . X 332 PRO CA . 30623 1 209 . 1 . 1 21 21 PRO CB C 13 32.162 0.07 . . . . . . X 332 PRO CB . 30623 1 210 . 1 . 1 21 21 PRO CG C 13 26.287 0.00 . . . . . . X 332 PRO CG . 30623 1 211 . 1 . 1 21 21 PRO CD C 13 51.663 0.00 . . . . . . X 332 PRO CD . 30623 1 212 . 1 . 1 22 22 TYR H H 1 8.161 0.00 . . . . . . X 333 TYR H . 30623 1 213 . 1 . 1 22 22 TYR HA H 1 4.477 0.00 . . . . . . X 333 TYR HA . 30623 1 214 . 1 . 1 22 22 TYR HB2 H 1 2.943 0.00 . . . . . . X 333 TYR HB2 . 30623 1 215 . 1 . 1 22 22 TYR HB3 H 1 2.943 0.00 . . . . . . X 333 TYR HB3 . 30623 1 216 . 1 . 1 22 22 TYR HD1 H 1 7.288 0.00 . . . . . . X 333 TYR HD1 . 30623 1 217 . 1 . 1 22 22 TYR HD2 H 1 7.288 0.00 . . . . . . X 333 TYR HD2 . 30623 1 218 . 1 . 1 22 22 TYR HE1 H 1 6.923 0.00 . . . . . . X 333 TYR HE1 . 30623 1 219 . 1 . 1 22 22 TYR HE2 H 1 6.923 0.00 . . . . . . X 333 TYR HE2 . 30623 1 220 . 1 . 1 22 22 TYR CA C 13 59.010 0.00 . . . . . . X 333 TYR CA . 30623 1 221 . 1 . 1 22 22 TYR CB C 13 38.041 0.01 . . . . . . X 333 TYR CB . 30623 1 222 . 1 . 1 22 22 TYR CD1 C 13 133.216 0.00 . . . . . . X 333 TYR CD1 . 30623 1 223 . 1 . 1 22 22 TYR CD2 C 13 133.216 0.00 . . . . . . X 333 TYR CD2 . 30623 1 224 . 1 . 1 22 22 TYR CE1 C 13 118.480 0.00 . . . . . . X 333 TYR CE1 . 30623 1 225 . 1 . 1 22 22 TYR CE2 C 13 118.480 0.00 . . . . . . X 333 TYR CE2 . 30623 1 226 . 1 . 1 22 22 TYR N N 15 118.671 0.00 . . . . . . X 333 TYR N . 30623 1 227 . 1 . 1 23 23 GLY H H 1 7.652 0.00 . . . . . . X 334 GLY H . 30623 1 228 . 1 . 1 23 23 GLY HA2 H 1 4.017 0.00 . . . . . . X 334 GLY HA2 . 30623 1 229 . 1 . 1 23 23 GLY HA3 H 1 4.019 0.00 . . . . . . X 334 GLY HA3 . 30623 1 230 . 1 . 1 23 23 GLY CA C 13 47.385 0.00 . . . . . . X 334 GLY CA . 30623 1 231 . 1 . 1 23 23 GLY N N 15 108.206 0.00 . . . . . . X 334 GLY N . 30623 1 232 . 1 . 1 24 24 LEU H H 1 8.875 0.00 . . . . . . X 335 LEU H . 30623 1 233 . 1 . 1 24 24 LEU HA H 1 4.230 0.00 . . . . . . X 335 LEU HA . 30623 1 234 . 1 . 1 24 24 LEU HB2 H 1 1.736 0.00 . . . . . . X 335 LEU HB2 . 30623 1 235 . 1 . 1 24 24 LEU HB3 H 1 1.672 0.00 . . . . . . X 335 LEU HB3 . 30623 1 236 . 1 . 1 24 24 LEU HG H 1 1.796 0.00 . . . . . . X 335 LEU HG . 30623 1 237 . 1 . 1 24 24 LEU HD11 H 1 0.964 0.00 . . . . . . X 335 LEU HD11 . 30623 1 238 . 1 . 1 24 24 LEU HD12 H 1 0.964 0.00 . . . . . . X 335 LEU HD12 . 30623 1 239 . 1 . 1 24 24 LEU HD13 H 1 0.964 0.00 . . . . . . X 335 LEU HD13 . 30623 1 240 . 1 . 1 24 24 LEU HD21 H 1 0.931 0.00 . . . . . . X 335 LEU HD21 . 30623 1 241 . 1 . 1 24 24 LEU HD22 H 1 0.931 0.00 . . . . . . X 335 LEU HD22 . 30623 1 242 . 1 . 1 24 24 LEU HD23 H 1 0.931 0.00 . . . . . . X 335 LEU HD23 . 30623 1 243 . 1 . 1 24 24 LEU CA C 13 56.546 0.00 . . . . . . X 335 LEU CA . 30623 1 244 . 1 . 1 24 24 LEU CB C 13 41.912 0.01 . . . . . . X 335 LEU CB . 30623 1 245 . 1 . 1 24 24 LEU CG C 13 27.212 0.00 . . . . . . X 335 LEU CG . 30623 1 246 . 1 . 1 24 24 LEU CD1 C 13 25.221 0.00 . . . . . . X 335 LEU CD1 . 30623 1 247 . 1 . 1 24 24 LEU CD2 C 13 23.091 0.00 . . . . . . X 335 LEU CD2 . 30623 1 248 . 1 . 1 24 24 LEU N N 15 125.522 0.00 . . . . . . X 335 LEU N . 30623 1 249 . 1 . 1 25 25 ARG H H 1 8.041 0.00 . . . . . . X 336 ARG H . 30623 1 250 . 1 . 1 25 25 ARG HA H 1 4.343 0.00 . . . . . . X 336 ARG HA . 30623 1 251 . 1 . 1 25 25 ARG HB2 H 1 2.073 0.00 . . . . . . X 336 ARG HB2 . 30623 1 252 . 1 . 1 25 25 ARG HB3 H 1 1.934 0.00 . . . . . . X 336 ARG HB3 . 30623 1 253 . 1 . 1 25 25 ARG HG2 H 1 1.723 0.00 . . . . . . X 336 ARG HG2 . 30623 1 254 . 1 . 1 25 25 ARG HG3 H 1 1.671 0.00 . . . . . . X 336 ARG HG3 . 30623 1 255 . 1 . 1 25 25 ARG HD2 H 1 3.257 0.00 . . . . . . X 336 ARG HD2 . 30623 1 256 . 1 . 1 25 25 ARG HD3 H 1 3.257 0.00 . . . . . . X 336 ARG HD3 . 30623 1 257 . 1 . 1 25 25 ARG CA C 13 55.389 0.00 . . . . . . X 336 ARG CA . 30623 1 258 . 1 . 1 25 25 ARG CB C 13 29.904 0.00 . . . . . . X 336 ARG CB . 30623 1 259 . 1 . 1 25 25 ARG CG C 13 27.539 0.01 . . . . . . X 336 ARG CG . 30623 1 260 . 1 . 1 25 25 ARG CD C 13 43.225 0.00 . . . . . . X 336 ARG CD . 30623 1 261 . 1 . 1 25 25 ARG N N 15 116.000 0.00 . . . . . . X 336 ARG N . 30623 1 262 . 1 . 1 26 26 CYS H H 1 7.403 0.00 . . . . . . X 337 CYS H . 30623 1 263 . 1 . 1 26 26 CYS HA H 1 3.745 0.00 . . . . . . X 337 CYS HA . 30623 1 264 . 1 . 1 26 26 CYS HB2 H 1 2.980 0.00 . . . . . . X 337 CYS HB2 . 30623 1 265 . 1 . 1 26 26 CYS HB3 H 1 2.572 0.00 . . . . . . X 337 CYS HB3 . 30623 1 266 . 1 . 1 26 26 CYS CA C 13 61.627 0.00 . . . . . . X 337 CYS CA . 30623 1 267 . 1 . 1 26 26 CYS CB C 13 30.786 0.00 . . . . . . X 337 CYS CB . 30623 1 268 . 1 . 1 26 26 CYS N N 15 124.056 0.00 . . . . . . X 337 CYS N . 30623 1 269 . 1 . 1 27 27 GLU H H 1 8.552 0.00 . . . . . . X 338 GLU H . 30623 1 270 . 1 . 1 27 27 GLU HA H 1 4.045 0.00 . . . . . . X 338 GLU HA . 30623 1 271 . 1 . 1 27 27 GLU HB2 H 1 1.623 0.00 . . . . . . X 338 GLU HB2 . 30623 1 272 . 1 . 1 27 27 GLU HB3 H 1 1.566 0.00 . . . . . . X 338 GLU HB3 . 30623 1 273 . 1 . 1 27 27 GLU HG2 H 1 1.740 0.00 . . . . . . X 338 GLU HG2 . 30623 1 274 . 1 . 1 27 27 GLU HG3 H 1 1.705 0.00 . . . . . . X 338 GLU HG3 . 30623 1 275 . 1 . 1 27 27 GLU CA C 13 57.384 0.00 . . . . . . X 338 GLU CA . 30623 1 276 . 1 . 1 27 27 GLU CB C 13 29.721 0.01 . . . . . . X 338 GLU CB . 30623 1 277 . 1 . 1 27 27 GLU CG C 13 35.990 0.00 . . . . . . X 338 GLU CG . 30623 1 278 . 1 . 1 27 27 GLU N N 15 126.340 0.00 . . . . . . X 338 GLU N . 30623 1 279 . 1 . 1 28 28 PHE H H 1 8.975 0.00 . . . . . . X 339 PHE H . 30623 1 280 . 1 . 1 28 28 PHE HB2 H 1 3.387 0.00 . . . . . . X 339 PHE HB2 . 30623 1 281 . 1 . 1 28 28 PHE HB3 H 1 3.140 0.00 . . . . . . X 339 PHE HB3 . 30623 1 282 . 1 . 1 28 28 PHE HD1 H 1 7.450 0.00 . . . . . . X 339 PHE HD1 . 30623 1 283 . 1 . 1 28 28 PHE HD2 H 1 7.450 0.00 . . . . . . X 339 PHE HD2 . 30623 1 284 . 1 . 1 28 28 PHE HE1 H 1 7.345 0.01 . . . . . . X 339 PHE HE1 . 30623 1 285 . 1 . 1 28 28 PHE HE2 H 1 7.345 0.01 . . . . . . X 339 PHE HE2 . 30623 1 286 . 1 . 1 28 28 PHE CB C 13 39.738 0.04 . . . . . . X 339 PHE CB . 30623 1 287 . 1 . 1 28 28 PHE CD1 C 13 132.487 0.00 . . . . . . X 339 PHE CD1 . 30623 1 288 . 1 . 1 28 28 PHE CD2 C 13 132.487 0.00 . . . . . . X 339 PHE CD2 . 30623 1 289 . 1 . 1 28 28 PHE CE1 C 13 131.537 0.00 . . . . . . X 339 PHE CE1 . 30623 1 290 . 1 . 1 28 28 PHE CE2 C 13 131.537 0.00 . . . . . . X 339 PHE CE2 . 30623 1 291 . 1 . 1 28 28 PHE N N 15 122.078 0.00 . . . . . . X 339 PHE N . 30623 1 292 . 1 . 1 29 29 VAL H H 1 8.674 0.00 . . . . . . X 340 VAL H . 30623 1 293 . 1 . 1 29 29 VAL HA H 1 3.644 0.00 . . . . . . X 340 VAL HA . 30623 1 294 . 1 . 1 29 29 VAL HB H 1 1.756 0.00 . . . . . . X 340 VAL HB . 30623 1 295 . 1 . 1 29 29 VAL HG11 H 1 0.799 0.00 . . . . . . X 340 VAL HG11 . 30623 1 296 . 1 . 1 29 29 VAL HG12 H 1 0.799 0.00 . . . . . . X 340 VAL HG12 . 30623 1 297 . 1 . 1 29 29 VAL HG13 H 1 0.799 0.00 . . . . . . X 340 VAL HG13 . 30623 1 298 . 1 . 1 29 29 VAL HG21 H 1 0.761 0.00 . . . . . . X 340 VAL HG21 . 30623 1 299 . 1 . 1 29 29 VAL HG22 H 1 0.761 0.00 . . . . . . X 340 VAL HG22 . 30623 1 300 . 1 . 1 29 29 VAL HG23 H 1 0.761 0.00 . . . . . . X 340 VAL HG23 . 30623 1 301 . 1 . 1 29 29 VAL CA C 13 63.949 0.00 . . . . . . X 340 VAL CA . 30623 1 302 . 1 . 1 29 29 VAL CB C 13 33.073 0.00 . . . . . . X 340 VAL CB . 30623 1 303 . 1 . 1 29 29 VAL CG1 C 13 22.432 0.00 . . . . . . X 340 VAL CG1 . 30623 1 304 . 1 . 1 29 29 VAL CG2 C 13 21.241 0.00 . . . . . . X 340 VAL CG2 . 30623 1 305 . 1 . 1 29 29 VAL N N 15 118.827 0.00 . . . . . . X 340 VAL N . 30623 1 306 . 1 . 1 30 30 HIS H H 1 8.659 0.00 . . . . . . X 341 HIS H . 30623 1 307 . 1 . 1 30 30 HIS HB2 H 1 2.928 0.00 . . . . . . X 341 HIS HB2 . 30623 1 308 . 1 . 1 30 30 HIS HB3 H 1 2.422 0.00 . . . . . . X 341 HIS HB3 . 30623 1 309 . 1 . 1 30 30 HIS HD2 H 1 6.834 0.00 . . . . . . X 341 HIS HD2 . 30623 1 310 . 1 . 1 30 30 HIS HE1 H 1 8.106 0.00 . . . . . . X 341 HIS HE1 . 30623 1 311 . 1 . 1 30 30 HIS CB C 13 29.260 0.03 . . . . . . X 341 HIS CB . 30623 1 312 . 1 . 1 30 30 HIS CD2 C 13 124.600 0.00 . . . . . . X 341 HIS CD2 . 30623 1 313 . 1 . 1 30 30 HIS CE1 C 13 140.290 0.00 . . . . . . X 341 HIS CE1 . 30623 1 314 . 1 . 1 30 30 HIS N N 15 126.053 0.00 . . . . . . X 341 HIS N . 30623 1 315 . 1 . 1 31 31 PRO HA H 1 4.319 0.00 . . . . . . X 342 PRO HA . 30623 1 316 . 1 . 1 31 31 PRO HB2 H 1 2.216 0.00 . . . . . . X 342 PRO HB2 . 30623 1 317 . 1 . 1 31 31 PRO HB3 H 1 1.861 0.00 . . . . . . X 342 PRO HB3 . 30623 1 318 . 1 . 1 31 31 PRO HG2 H 1 1.830 0.00 . . . . . . X 342 PRO HG2 . 30623 1 319 . 1 . 1 31 31 PRO HG3 H 1 1.830 0.00 . . . . . . X 342 PRO HG3 . 30623 1 320 . 1 . 1 31 31 PRO HD2 H 1 3.099 0.00 . . . . . . X 342 PRO HD2 . 30623 1 321 . 1 . 1 31 31 PRO HD3 H 1 2.478 0.00 . . . . . . X 342 PRO HD3 . 30623 1 322 . 1 . 1 31 31 PRO CA C 13 63.593 0.00 . . . . . . X 342 PRO CA . 30623 1 323 . 1 . 1 31 31 PRO CB C 13 32.081 0.05 . . . . . . X 342 PRO CB . 30623 1 324 . 1 . 1 31 31 PRO CG C 13 27.594 0.00 . . . . . . X 342 PRO CG . 30623 1 325 . 1 . 1 31 31 PRO CD C 13 50.166 0.00 . . . . . . X 342 PRO CD . 30623 1 326 . 1 . 1 32 32 THR H H 1 7.799 0.00 . . . . . . X 343 THR H . 30623 1 327 . 1 . 1 32 32 THR HA H 1 4.289 0.00 . . . . . . X 343 THR HA . 30623 1 328 . 1 . 1 32 32 THR HB H 1 4.304 0.00 . . . . . . X 343 THR HB . 30623 1 329 . 1 . 1 32 32 THR HG21 H 1 1.195 0.00 . . . . . . X 343 THR HG21 . 30623 1 330 . 1 . 1 32 32 THR HG22 H 1 1.195 0.00 . . . . . . X 343 THR HG22 . 30623 1 331 . 1 . 1 32 32 THR HG23 H 1 1.195 0.00 . . . . . . X 343 THR HG23 . 30623 1 332 . 1 . 1 32 32 THR CA C 13 61.632 0.00 . . . . . . X 343 THR CA . 30623 1 333 . 1 . 1 32 32 THR CB C 13 69.748 0.00 . . . . . . X 343 THR CB . 30623 1 334 . 1 . 1 32 32 THR CG2 C 13 21.696 0.00 . . . . . . X 343 THR CG2 . 30623 1 335 . 1 . 1 32 32 THR N N 15 110.802 0.00 . . . . . . X 343 THR N . 30623 1 336 . 1 . 1 33 33 ASP H H 1 8.133 0.00 . . . . . . X 344 ASP H . 30623 1 337 . 1 . 1 33 33 ASP HA H 1 4.587 0.00 . . . . . . X 344 ASP HA . 30623 1 338 . 1 . 1 33 33 ASP HB2 H 1 2.702 0.00 . . . . . . X 344 ASP HB2 . 30623 1 339 . 1 . 1 33 33 ASP HB3 H 1 2.702 0.00 . . . . . . X 344 ASP HB3 . 30623 1 340 . 1 . 1 33 33 ASP CA C 13 54.694 0.00 . . . . . . X 344 ASP CA . 30623 1 341 . 1 . 1 33 33 ASP CB C 13 41.032 0.00 . . . . . . X 344 ASP CB . 30623 1 342 . 1 . 1 33 33 ASP N N 15 121.955 0.00 . . . . . . X 344 ASP N . 30623 1 343 . 1 . 1 34 34 LYS H H 1 8.174 0.00 . . . . . . X 345 LYS H . 30623 1 344 . 1 . 1 34 34 LYS HA H 1 4.361 0.00 . . . . . . X 345 LYS HA . 30623 1 345 . 1 . 1 34 34 LYS HB2 H 1 1.862 0.00 . . . . . . X 345 LYS HB2 . 30623 1 346 . 1 . 1 34 34 LYS HB3 H 1 1.731 0.00 . . . . . . X 345 LYS HB3 . 30623 1 347 . 1 . 1 34 34 LYS HG2 H 1 1.419 0.00 . . . . . . X 345 LYS HG2 . 30623 1 348 . 1 . 1 34 34 LYS HG3 H 1 1.419 0.00 . . . . . . X 345 LYS HG3 . 30623 1 349 . 1 . 1 34 34 LYS HD2 H 1 1.669 0.00 . . . . . . X 345 LYS HD2 . 30623 1 350 . 1 . 1 34 34 LYS HD3 H 1 1.669 0.00 . . . . . . X 345 LYS HD3 . 30623 1 351 . 1 . 1 34 34 LYS HE2 H 1 2.998 0.00 . . . . . . X 345 LYS HE2 . 30623 1 352 . 1 . 1 34 34 LYS HE3 H 1 2.997 0.00 . . . . . . X 345 LYS HE3 . 30623 1 353 . 1 . 1 34 34 LYS CA C 13 55.961 0.00 . . . . . . X 345 LYS CA . 30623 1 354 . 1 . 1 34 34 LYS CB C 13 33.253 0.04 . . . . . . X 345 LYS CB . 30623 1 355 . 1 . 1 34 34 LYS CG C 13 24.497 0.00 . . . . . . X 345 LYS CG . 30623 1 356 . 1 . 1 34 34 LYS CD C 13 29.012 0.00 . . . . . . X 345 LYS CD . 30623 1 357 . 1 . 1 34 34 LYS CE C 13 42.160 0.01 . . . . . . X 345 LYS CE . 30623 1 358 . 1 . 1 34 34 LYS N N 15 121.055 0.00 . . . . . . X 345 LYS N . 30623 1 359 . 1 . 1 35 35 GLU H H 1 8.014 0.00 . . . . . . X 346 GLU H . 30623 1 360 . 1 . 1 35 35 GLU HA H 1 4.101 0.00 . . . . . . X 346 GLU HA . 30623 1 361 . 1 . 1 35 35 GLU HB2 H 1 2.033 0.00 . . . . . . X 346 GLU HB2 . 30623 1 362 . 1 . 1 35 35 GLU HB3 H 1 1.894 0.00 . . . . . . X 346 GLU HB3 . 30623 1 363 . 1 . 1 35 35 GLU HG2 H 1 2.211 0.00 . . . . . . X 346 GLU HG2 . 30623 1 364 . 1 . 1 35 35 GLU HG3 H 1 2.211 0.00 . . . . . . X 346 GLU HG3 . 30623 1 365 . 1 . 1 35 35 GLU CA C 13 58.149 0.00 . . . . . . X 346 GLU CA . 30623 1 366 . 1 . 1 35 35 GLU CB C 13 31.024 0.00 . . . . . . X 346 GLU CB . 30623 1 367 . 1 . 1 35 35 GLU CG C 13 36.595 0.00 . . . . . . X 346 GLU CG . 30623 1 368 . 1 . 1 35 35 GLU N N 15 127.210 0.00 . . . . . . X 346 GLU N . 30623 1 stop_ save_