################################### # 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 51356 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name tsr3fuc _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 51356 1 2 '2D 1H-13C CT-HSQC aliphatic' . . . 51356 1 3 '2D 1H-13C CT-HSQC aromatic' . . . 51356 1 4 '3D HNCO' . . . 51356 1 5 '3D (HACA)CONH' . . . 51356 1 6 '3D CBCA(CO)NH' . . . 51356 1 7 '3D HNCACB' . . . 51356 1 8 '3D HBHA(CO)NH' . . . 51356 1 9 '3D (H)CCH-COSY aliphatic' . . . 51356 1 10 '3D (H)CCH-TOCSY aliphatic' . . . 51356 1 11 '3D (H)CCH-COSY aromatic' . . . 51356 1 12 '3D 1H-15N,13C NOESY' . . . 51356 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 5 $software_5 . . 51356 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 2 2 ASP HA H 1 4.716 0.020 . 1 . . . . . 2 ASP HA . 51356 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.550 0.020 . 2 . . . . . 2 ASP HB2 . 51356 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.702 0.020 . 2 . . . . . 2 ASP HB3 . 51356 1 4 . 1 . 1 2 2 ASP CA C 13 54.207 0.3 . 1 . . . . . 2 ASP CA . 51356 1 5 . 1 . 1 2 2 ASP CB C 13 41.362 0.3 . 1 . . . . . 2 ASP CB . 51356 1 6 . 1 . 1 3 3 ILE H H 1 8.294 0.020 . 1 . . . . . 3 ILE H . 51356 1 7 . 1 . 1 3 3 ILE HA H 1 4.177 0.020 . 1 . . . . . 3 ILE HA . 51356 1 8 . 1 . 1 3 3 ILE HB H 1 1.898 0.020 . 1 . . . . . 3 ILE HB . 51356 1 9 . 1 . 1 3 3 ILE HG12 H 1 1.201 0.020 . 2 . . . . . 3 ILE HG12 . 51356 1 10 . 1 . 1 3 3 ILE HG13 H 1 1.458 0.020 . 2 . . . . . 3 ILE HG13 . 51356 1 11 . 1 . 1 3 3 ILE HG21 H 1 0.917 0.020 . 1 . . . . . 3 ILE HG2 . 51356 1 12 . 1 . 1 3 3 ILE HG22 H 1 0.917 0.020 . 1 . . . . . 3 ILE HG2 . 51356 1 13 . 1 . 1 3 3 ILE HG23 H 1 0.917 0.020 . 1 . . . . . 3 ILE HG2 . 51356 1 14 . 1 . 1 3 3 ILE HD11 H 1 0.871 0.020 . 1 . . . . . 3 ILE HD1 . 51356 1 15 . 1 . 1 3 3 ILE HD12 H 1 0.871 0.020 . 1 . . . . . 3 ILE HD1 . 51356 1 16 . 1 . 1 3 3 ILE HD13 H 1 0.871 0.020 . 1 . . . . . 3 ILE HD1 . 51356 1 17 . 1 . 1 3 3 ILE C C 13 176.666 0.3 . 1 . . . . . 3 ILE C . 51356 1 18 . 1 . 1 3 3 ILE CA C 13 61.297 0.3 . 1 . . . . . 3 ILE CA . 51356 1 19 . 1 . 1 3 3 ILE CB C 13 38.779 0.3 . 1 . . . . . 3 ILE CB . 51356 1 20 . 1 . 1 3 3 ILE CG1 C 13 27.117 0.3 . 1 . . . . . 3 ILE CG1 . 51356 1 21 . 1 . 1 3 3 ILE CG2 C 13 17.517 0.3 . 1 . . . . . 3 ILE CG2 . 51356 1 22 . 1 . 1 3 3 ILE CD1 C 13 13.099 0.3 . 1 . . . . . 3 ILE CD1 . 51356 1 23 . 1 . 1 3 3 ILE N N 15 121.241 0.3 . 1 . . . . . 3 ILE N . 51356 1 24 . 1 . 1 4 4 GLY H H 1 8.479 0.020 . 1 . . . . . 4 GLY H . 51356 1 25 . 1 . 1 4 4 GLY HA2 H 1 3.887 0.020 . 2 . . . . . 4 GLY HA2 . 51356 1 26 . 1 . 1 4 4 GLY HA3 H 1 3.939 0.020 . 2 . . . . . 4 GLY HA3 . 51356 1 27 . 1 . 1 4 4 GLY C C 13 173.926 0.3 . 1 . . . . . 4 GLY C . 51356 1 28 . 1 . 1 4 4 GLY CA C 13 45.287 0.3 . 1 . . . . . 4 GLY CA . 51356 1 29 . 1 . 1 4 4 GLY N N 15 112.524 0.3 . 1 . . . . . 4 GLY N . 51356 1 30 . 1 . 1 5 5 ILE H H 1 7.879 0.020 . 1 . . . . . 5 ILE H . 51356 1 31 . 1 . 1 5 5 ILE HA H 1 4.155 0.020 . 1 . . . . . 5 ILE HA . 51356 1 32 . 1 . 1 5 5 ILE HB H 1 1.823 0.020 . 1 . . . . . 5 ILE HB . 51356 1 33 . 1 . 1 5 5 ILE HG12 H 1 1.121 0.020 . 2 . . . . . 5 ILE HG12 . 51356 1 34 . 1 . 1 5 5 ILE HG13 H 1 1.386 0.020 . 2 . . . . . 5 ILE HG13 . 51356 1 35 . 1 . 1 5 5 ILE HG21 H 1 0.851 0.020 . 1 . . . . . 5 ILE HG2 . 51356 1 36 . 1 . 1 5 5 ILE HG22 H 1 0.851 0.020 . 1 . . . . . 5 ILE HG2 . 51356 1 37 . 1 . 1 5 5 ILE HG23 H 1 0.851 0.020 . 1 . . . . . 5 ILE HG2 . 51356 1 38 . 1 . 1 5 5 ILE HD11 H 1 0.836 0.020 . 1 . . . . . 5 ILE HD1 . 51356 1 39 . 1 . 1 5 5 ILE HD12 H 1 0.836 0.020 . 1 . . . . . 5 ILE HD1 . 51356 1 40 . 1 . 1 5 5 ILE HD13 H 1 0.836 0.020 . 1 . . . . . 5 ILE HD1 . 51356 1 41 . 1 . 1 5 5 ILE C C 13 175.861 0.3 . 1 . . . . . 5 ILE C . 51356 1 42 . 1 . 1 5 5 ILE CA C 13 60.872 0.3 . 1 . . . . . 5 ILE CA . 51356 1 43 . 1 . 1 5 5 ILE CB C 13 38.805 0.3 . 1 . . . . . 5 ILE CB . 51356 1 44 . 1 . 1 5 5 ILE CG1 C 13 27.004 0.3 . 1 . . . . . 5 ILE CG1 . 51356 1 45 . 1 . 1 5 5 ILE CG2 C 13 17.448 0.3 . 1 . . . . . 5 ILE CG2 . 51356 1 46 . 1 . 1 5 5 ILE CD1 C 13 12.920 0.3 . 1 . . . . . 5 ILE CD1 . 51356 1 47 . 1 . 1 5 5 ILE N N 15 119.466 0.3 . 1 . . . . . 5 ILE N . 51356 1 48 . 1 . 1 6 6 ASN H H 1 8.404 0.020 . 1 . . . . . 6 ASN H . 51356 1 49 . 1 . 1 6 6 ASN HA H 1 4.628 0.020 . 1 . . . . . 6 ASN HA . 51356 1 50 . 1 . 1 6 6 ASN HB2 H 1 2.638 0.020 . 2 . . . . . 6 ASN HB2 . 51356 1 51 . 1 . 1 6 6 ASN HB3 H 1 2.705 0.020 . 2 . . . . . 6 ASN HB3 . 51356 1 52 . 1 . 1 6 6 ASN HD21 H 1 7.531 0.020 . 1 . . . . . 6 ASN HD21 . 51356 1 53 . 1 . 1 6 6 ASN HD22 H 1 6.871 0.020 . 1 . . . . . 6 ASN HD22 . 51356 1 54 . 1 . 1 6 6 ASN C C 13 174.673 0.3 . 1 . . . . . 6 ASN C . 51356 1 55 . 1 . 1 6 6 ASN CA C 13 53.062 0.3 . 1 . . . . . 6 ASN CA . 51356 1 56 . 1 . 1 6 6 ASN CB C 13 39.111 0.3 . 1 . . . . . 6 ASN CB . 51356 1 57 . 1 . 1 6 6 ASN N N 15 122.676 0.3 . 1 . . . . . 6 ASN N . 51356 1 58 . 1 . 1 6 6 ASN ND2 N 15 113.119 0.3 . 1 . . . . . 6 ASN ND2 . 51356 1 59 . 1 . 1 7 7 SER H H 1 7.856 0.020 . 1 . . . . . 7 SER H . 51356 1 60 . 1 . 1 7 7 SER HA H 1 3.926 0.020 . 1 . . . . . 7 SER HA . 51356 1 61 . 1 . 1 7 7 SER HB2 H 1 3.039 0.020 . 2 . . . . . 7 SER HB2 . 51356 1 62 . 1 . 1 7 7 SER HB3 H 1 3.068 0.020 . 2 . . . . . 7 SER HB3 . 51356 1 63 . 1 . 1 7 7 SER C C 13 172.930 0.3 . 1 . . . . . 7 SER C . 51356 1 64 . 1 . 1 7 7 SER CA C 13 57.345 0.3 . 1 . . . . . 7 SER CA . 51356 1 65 . 1 . 1 7 7 SER CB C 13 63.330 0.3 . 1 . . . . . 7 SER CB . 51356 1 66 . 1 . 1 7 7 SER N N 15 116.689 0.3 . 1 . . . . . 7 SER N . 51356 1 67 . 1 . 1 8 8 ASP H H 1 7.871 0.020 . 1 . . . . . 8 ASP H . 51356 1 68 . 1 . 1 8 8 ASP HA H 1 4.772 0.020 . 1 . . . . . 8 ASP HA . 51356 1 69 . 1 . 1 8 8 ASP HB2 H 1 2.413 0.020 . 2 . . . . . 8 ASP HB2 . 51356 1 70 . 1 . 1 8 8 ASP HB3 H 1 2.610 0.020 . 2 . . . . . 8 ASP HB3 . 51356 1 71 . 1 . 1 8 8 ASP C C 13 173.265 0.3 . 1 . . . . . 8 ASP C . 51356 1 72 . 1 . 1 8 8 ASP CA C 13 52.824 0.3 . 1 . . . . . 8 ASP CA . 51356 1 73 . 1 . 1 8 8 ASP CB C 13 40.029 0.3 . 1 . . . . . 8 ASP CB . 51356 1 74 . 1 . 1 8 8 ASP N N 15 123.370 0.3 . 1 . . . . . 8 ASP N . 51356 1 75 . 1 . 1 9 9 PRO HA H 1 4.440 0.020 . 1 . . . . . 9 PRO HA . 51356 1 76 . 1 . 1 9 9 PRO HB2 H 1 1.670 0.020 . 2 . . . . . 9 PRO HB2 . 51356 1 77 . 1 . 1 9 9 PRO HB3 H 1 1.925 0.020 . 2 . . . . . 9 PRO HB3 . 51356 1 78 . 1 . 1 9 9 PRO HG2 H 1 2.063 0.020 . 2 . . . . . 9 PRO HG2 . 51356 1 79 . 1 . 1 9 9 PRO HG3 H 1 2.133 0.020 . 2 . . . . . 9 PRO HG3 . 51356 1 80 . 1 . 1 9 9 PRO HD2 H 1 3.622 0.020 . 2 . . . . . 9 PRO HD2 . 51356 1 81 . 1 . 1 9 9 PRO HD3 H 1 3.926 0.020 . 2 . . . . . 9 PRO HD3 . 51356 1 82 . 1 . 1 9 9 PRO C C 13 176.895 0.3 . 1 . . . . . 9 PRO C . 51356 1 83 . 1 . 1 9 9 PRO CA C 13 63.348 0.3 . 1 . . . . . 9 PRO CA . 51356 1 84 . 1 . 1 9 9 PRO CB C 13 32.099 0.3 . 1 . . . . . 9 PRO CB . 51356 1 85 . 1 . 1 9 9 PRO CG C 13 27.322 0.3 . 1 . . . . . 9 PRO CG . 51356 1 86 . 1 . 1 9 9 PRO CD C 13 50.454 0.3 . 1 . . . . . 9 PRO CD . 51356 1 87 . 1 . 1 10 10 ILE H H 1 8.207 0.020 . 1 . . . . . 10 ILE H . 51356 1 88 . 1 . 1 10 10 ILE HA H 1 4.182 0.020 . 1 . . . . . 10 ILE HA . 51356 1 89 . 1 . 1 10 10 ILE HB H 1 1.610 0.020 . 1 . . . . . 10 ILE HB . 51356 1 90 . 1 . 1 10 10 ILE HG12 H 1 1.083 0.020 . 2 . . . . . 10 ILE HG12 . 51356 1 91 . 1 . 1 10 10 ILE HG13 H 1 1.734 0.020 . 2 . . . . . 10 ILE HG13 . 51356 1 92 . 1 . 1 10 10 ILE HG21 H 1 0.797 0.020 . 1 . . . . . 10 ILE HG2 . 51356 1 93 . 1 . 1 10 10 ILE HG22 H 1 0.797 0.020 . 1 . . . . . 10 ILE HG2 . 51356 1 94 . 1 . 1 10 10 ILE HG23 H 1 0.797 0.020 . 1 . . . . . 10 ILE HG2 . 51356 1 95 . 1 . 1 10 10 ILE HD11 H 1 0.902 0.020 . 1 . . . . . 10 ILE HD1 . 51356 1 96 . 1 . 1 10 10 ILE HD12 H 1 0.902 0.020 . 1 . . . . . 10 ILE HD1 . 51356 1 97 . 1 . 1 10 10 ILE HD13 H 1 0.902 0.020 . 1 . . . . . 10 ILE HD1 . 51356 1 98 . 1 . 1 10 10 ILE C C 13 175.554 0.3 . 1 . . . . . 10 ILE C . 51356 1 99 . 1 . 1 10 10 ILE CA C 13 60.116 0.3 . 1 . . . . . 10 ILE CA . 51356 1 100 . 1 . 1 10 10 ILE CB C 13 40.354 0.3 . 1 . . . . . 10 ILE CB . 51356 1 101 . 1 . 1 10 10 ILE CG1 C 13 26.806 0.3 . 1 . . . . . 10 ILE CG1 . 51356 1 102 . 1 . 1 10 10 ILE CG2 C 13 17.185 0.3 . 1 . . . . . 10 ILE CG2 . 51356 1 103 . 1 . 1 10 10 ILE CD1 C 13 12.904 0.3 . 1 . . . . . 10 ILE CD1 . 51356 1 104 . 1 . 1 10 10 ILE N N 15 123.573 0.3 . 1 . . . . . 10 ILE N . 51356 1 105 . 1 . 1 11 11 ASN H H 1 8.676 0.020 . 1 . . . . . 11 ASN H . 51356 1 106 . 1 . 1 11 11 ASN HA H 1 4.656 0.020 . 1 . . . . . 11 ASN HA . 51356 1 107 . 1 . 1 11 11 ASN HB2 H 1 2.609 0.020 . 2 . . . . . 11 ASN HB2 . 51356 1 108 . 1 . 1 11 11 ASN HB3 H 1 2.885 0.020 . 2 . . . . . 11 ASN HB3 . 51356 1 109 . 1 . 1 11 11 ASN HD21 H 1 7.734 0.020 . 1 . . . . . 11 ASN HD21 . 51356 1 110 . 1 . 1 11 11 ASN HD22 H 1 7.009 0.020 . 1 . . . . . 11 ASN HD22 . 51356 1 111 . 1 . 1 11 11 ASN C C 13 175.114 0.3 . 1 . . . . . 11 ASN C . 51356 1 112 . 1 . 1 11 11 ASN CA C 13 52.466 0.3 . 1 . . . . . 11 ASN CA . 51356 1 113 . 1 . 1 11 11 ASN CB C 13 38.095 0.3 . 1 . . . . . 11 ASN CB . 51356 1 114 . 1 . 1 11 11 ASN N N 15 125.347 0.3 . 1 . . . . . 11 ASN N . 51356 1 115 . 1 . 1 11 11 ASN ND2 N 15 114.334 0.3 . 1 . . . . . 11 ASN ND2 . 51356 1 116 . 1 . 1 12 12 GLY H H 1 8.967 0.020 . 1 . . . . . 12 GLY H . 51356 1 117 . 1 . 1 12 12 GLY HA2 H 1 2.893 0.020 . 2 . . . . . 12 GLY HA2 . 51356 1 118 . 1 . 1 12 12 GLY HA3 H 1 4.056 0.020 . 2 . . . . . 12 GLY HA3 . 51356 1 119 . 1 . 1 12 12 GLY C C 13 174.214 0.3 . 1 . . . . . 12 GLY C . 51356 1 120 . 1 . 1 12 12 GLY CA C 13 45.498 0.3 . 1 . . . . . 12 GLY CA . 51356 1 121 . 1 . 1 12 12 GLY N N 15 106.994 0.3 . 1 . . . . . 12 GLY N . 51356 1 122 . 1 . 1 13 13 GLY H H 1 8.815 0.020 . 1 . . . . . 13 GLY H . 51356 1 123 . 1 . 1 13 13 GLY HA2 H 1 3.442 0.020 . 2 . . . . . 13 GLY HA2 . 51356 1 124 . 1 . 1 13 13 GLY HA3 H 1 4.231 0.020 . 2 . . . . . 13 GLY HA3 . 51356 1 125 . 1 . 1 13 13 GLY C C 13 172.949 0.3 . 1 . . . . . 13 GLY C . 51356 1 126 . 1 . 1 13 13 GLY CA C 13 43.897 0.3 . 1 . . . . . 13 GLY CA . 51356 1 127 . 1 . 1 13 13 GLY N N 15 111.801 0.3 . 1 . . . . . 13 GLY N . 51356 1 128 . 1 . 1 14 14 TRP H H 1 8.211 0.020 . 1 . . . . . 14 TRP H . 51356 1 129 . 1 . 1 14 14 TRP HA H 1 4.868 0.020 . 1 . . . . . 14 TRP HA . 51356 1 130 . 1 . 1 14 14 TRP HB2 H 1 2.838 0.020 . 2 . . . . . 14 TRP HB2 . 51356 1 131 . 1 . 1 14 14 TRP HB3 H 1 3.218 0.020 . 2 . . . . . 14 TRP HB3 . 51356 1 132 . 1 . 1 14 14 TRP HD1 H 1 7.134 0.020 . 1 . . . . . 14 TRP HD1 . 51356 1 133 . 1 . 1 14 14 TRP HE1 H 1 9.495 0.020 . 1 . . . . . 14 TRP HE1 . 51356 1 134 . 1 . 1 14 14 TRP HE3 H 1 7.039 0.020 . 1 . . . . . 14 TRP HE3 . 51356 1 135 . 1 . 1 14 14 TRP HZ2 H 1 6.478 0.020 . 1 . . . . . 14 TRP HZ2 . 51356 1 136 . 1 . 1 14 14 TRP HZ3 H 1 6.623 0.020 . 1 . . . . . 14 TRP HZ3 . 51356 1 137 . 1 . 1 14 14 TRP HH2 H 1 6.806 0.020 . 1 . . . . . 14 TRP HH2 . 51356 1 138 . 1 . 1 14 14 TRP C C 13 180.382 0.3 . 1 . . . . . 14 TRP C . 51356 1 139 . 1 . 1 14 14 TRP CA C 13 57.286 0.3 . 1 . . . . . 14 TRP CA . 51356 1 140 . 1 . 1 14 14 TRP CB C 13 31.418 0.3 . 1 . . . . . 14 TRP CB . 51356 1 141 . 1 . 1 14 14 TRP CD1 C 13 127.427 0.3 . 1 . . . . . 14 TRP CD1 . 51356 1 142 . 1 . 1 14 14 TRP CE3 C 13 119.893 0.3 . 1 . . . . . 14 TRP CE3 . 51356 1 143 . 1 . 1 14 14 TRP CZ2 C 13 114.284 0.3 . 1 . . . . . 14 TRP CZ2 . 51356 1 144 . 1 . 1 14 14 TRP CZ3 C 13 121.586 0.3 . 1 . . . . . 14 TRP CZ3 . 51356 1 145 . 1 . 1 14 14 TRP CH2 C 13 124.574 0.3 . 1 . . . . . 14 TRP CH2 . 51356 1 146 . 1 . 1 14 14 TRP N N 15 121.945 0.3 . 1 . . . . . 14 TRP N . 51356 1 147 . 1 . 1 14 14 TRP NE1 N 15 127.248 0.3 . 1 . . . . . 14 TRP NE1 . 51356 1 148 . 1 . 1 15 15 GLY H H 1 9.270 0.020 . 1 . . . . . 15 GLY H . 51356 1 149 . 1 . 1 15 15 GLY HA2 H 1 4.250 0.020 . 2 . . . . . 15 GLY HA2 . 51356 1 150 . 1 . 1 15 15 GLY HA3 H 1 4.286 0.020 . 2 . . . . . 15 GLY HA3 . 51356 1 151 . 1 . 1 15 15 GLY CA C 13 44.286 0.3 . 1 . . . . . 15 GLY CA . 51356 1 152 . 1 . 1 15 15 GLY N N 15 111.406 0.3 . 1 . . . . . 15 GLY N . 51356 1 153 . 1 . 1 16 16 PRO HA H 1 4.325 0.020 . 1 . . . . . 16 PRO HA . 51356 1 154 . 1 . 1 16 16 PRO HB2 H 1 1.860 0.020 . 2 . . . . . 16 PRO HB2 . 51356 1 155 . 1 . 1 16 16 PRO HB3 H 1 2.263 0.020 . 2 . . . . . 16 PRO HB3 . 51356 1 156 . 1 . 1 16 16 PRO HG2 H 1 1.955 0.020 . 2 . . . . . 16 PRO HG2 . 51356 1 157 . 1 . 1 16 16 PRO HG3 H 1 1.990 0.020 . 2 . . . . . 16 PRO HG3 . 51356 1 158 . 1 . 1 16 16 PRO HD2 H 1 3.526 0.020 . 2 . . . . . 16 PRO HD2 . 51356 1 159 . 1 . 1 16 16 PRO HD3 H 1 3.642 0.020 . 2 . . . . . 16 PRO HD3 . 51356 1 160 . 1 . 1 16 16 PRO C C 13 178.091 0.3 . 1 . . . . . 16 PRO C . 51356 1 161 . 1 . 1 16 16 PRO CA C 13 61.869 0.3 . 1 . . . . . 16 PRO CA . 51356 1 162 . 1 . 1 16 16 PRO CB C 13 32.248 0.3 . 1 . . . . . 16 PRO CB . 51356 1 163 . 1 . 1 16 16 PRO CG C 13 26.939 0.3 . 1 . . . . . 16 PRO CG . 51356 1 164 . 1 . 1 16 16 PRO CD C 13 49.267 0.3 . 1 . . . . . 16 PRO CD . 51356 1 165 . 1 . 1 17 17 TRP H H 1 8.205 0.020 . 1 . . . . . 17 TRP H . 51356 1 166 . 1 . 1 17 17 TRP HA H 1 4.398 0.020 . 1 . . . . . 17 TRP HA . 51356 1 167 . 1 . 1 17 17 TRP HB2 H 1 2.670 0.020 . 2 . . . . . 17 TRP HB2 . 51356 1 168 . 1 . 1 17 17 TRP HB3 H 1 2.968 0.020 . 2 . . . . . 17 TRP HB3 . 51356 1 169 . 1 . 1 17 17 TRP HD1 H 1 7.102 0.020 . 1 . . . . . 17 TRP HD1 . 51356 1 170 . 1 . 1 17 17 TRP HE1 H 1 9.796 0.020 . 1 . . . . . 17 TRP HE1 . 51356 1 171 . 1 . 1 17 17 TRP HE3 H 1 6.799 0.020 . 1 . . . . . 17 TRP HE3 . 51356 1 172 . 1 . 1 17 17 TRP HZ2 H 1 6.927 0.020 . 1 . . . . . 17 TRP HZ2 . 51356 1 173 . 1 . 1 17 17 TRP HZ3 H 1 6.496 0.020 . 1 . . . . . 17 TRP HZ3 . 51356 1 174 . 1 . 1 17 17 TRP HH2 H 1 6.337 0.020 . 1 . . . . . 17 TRP HH2 . 51356 1 175 . 1 . 1 17 17 TRP C C 13 177.968 0.3 . 1 . . . . . 17 TRP C . 51356 1 176 . 1 . 1 17 17 TRP CA C 13 57.534 0.3 . 1 . . . . . 17 TRP CA . 51356 1 177 . 1 . 1 17 17 TRP CB C 13 30.874 0.3 . 1 . . . . . 17 TRP CB . 51356 1 178 . 1 . 1 17 17 TRP CD1 C 13 127.291 0.3 . 1 . . . . . 17 TRP CD1 . 51356 1 179 . 1 . 1 17 17 TRP CE3 C 13 118.527 0.3 . 1 . . . . . 17 TRP CE3 . 51356 1 180 . 1 . 1 17 17 TRP CZ2 C 13 114.234 0.3 . 1 . . . . . 17 TRP CZ2 . 51356 1 181 . 1 . 1 17 17 TRP CZ3 C 13 121.557 0.3 . 1 . . . . . 17 TRP CZ3 . 51356 1 182 . 1 . 1 17 17 TRP CH2 C 13 123.884 0.3 . 1 . . . . . 17 TRP CH2 . 51356 1 183 . 1 . 1 17 17 TRP N N 15 120.359 0.3 . 1 . . . . . 17 TRP N . 51356 1 184 . 1 . 1 17 17 TRP NE1 N 15 128.937 0.3 . 1 . . . . . 17 TRP NE1 . 51356 1 185 . 1 . 1 18 18 SER H H 1 9.366 0.020 . 1 . . . . . 18 SER H . 51356 1 186 . 1 . 1 18 18 SER HA H 1 4.656 0.020 . 1 . . . . . 18 SER HA . 51356 1 187 . 1 . 1 18 18 SER HB2 H 1 4.035 0.020 . 2 . . . . . 18 SER HB2 . 51356 1 188 . 1 . 1 18 18 SER HB3 H 1 4.448 0.020 . 2 . . . . . 18 SER HB3 . 51356 1 189 . 1 . 1 18 18 SER C C 13 171.321 0.3 . 1 . . . . . 18 SER C . 51356 1 190 . 1 . 1 18 18 SER CA C 13 57.691 0.3 . 1 . . . . . 18 SER CA . 51356 1 191 . 1 . 1 18 18 SER CB C 13 63.019 0.3 . 1 . . . . . 18 SER CB . 51356 1 192 . 1 . 1 18 18 SER N N 15 119.799 0.3 . 1 . . . . . 18 SER N . 51356 1 193 . 1 . 1 19 19 PRO HA H 1 4.427 0.020 . 1 . . . . . 19 PRO HA . 51356 1 194 . 1 . 1 19 19 PRO HB2 H 1 1.768 0.020 . 2 . . . . . 19 PRO HB2 . 51356 1 195 . 1 . 1 19 19 PRO HB3 H 1 2.437 0.020 . 2 . . . . . 19 PRO HB3 . 51356 1 196 . 1 . 1 19 19 PRO HG2 H 1 1.991 0.020 . 2 . . . . . 19 PRO HG2 . 51356 1 197 . 1 . 1 19 19 PRO HG3 H 1 2.064 0.020 . 2 . . . . . 19 PRO HG3 . 51356 1 198 . 1 . 1 19 19 PRO HD2 H 1 3.646 0.020 . 2 . . . . . 19 PRO HD2 . 51356 1 199 . 1 . 1 19 19 PRO HD3 H 1 3.846 0.020 . 2 . . . . . 19 PRO HD3 . 51356 1 200 . 1 . 1 19 19 PRO C C 13 177.968 0.3 . 1 . . . . . 19 PRO C . 51356 1 201 . 1 . 1 19 19 PRO CA C 13 62.805 0.3 . 1 . . . . . 19 PRO CA . 51356 1 202 . 1 . 1 19 19 PRO CB C 13 31.903 0.3 . 1 . . . . . 19 PRO CB . 51356 1 203 . 1 . 1 19 19 PRO CG C 13 27.936 0.3 . 1 . . . . . 19 PRO CG . 51356 1 204 . 1 . 1 19 19 PRO CD C 13 50.171 0.3 . 1 . . . . . 19 PRO CD . 51356 1 205 . 1 . 1 20 20 TRP H H 1 8.174 0.020 . 1 . . . . . 20 TRP H . 51356 1 206 . 1 . 1 20 20 TRP HA H 1 4.498 0.020 . 1 . . . . . 20 TRP HA . 51356 1 207 . 1 . 1 20 20 TRP HB2 H 1 2.882 0.020 . 2 . . . . . 20 TRP HB2 . 51356 1 208 . 1 . 1 20 20 TRP HB3 H 1 3.133 0.020 . 2 . . . . . 20 TRP HB3 . 51356 1 209 . 1 . 1 20 20 TRP HD1 H 1 7.265 0.020 . 1 . . . . . 20 TRP HD1 . 51356 1 210 . 1 . 1 20 20 TRP HE1 H 1 9.889 0.020 . 1 . . . . . 20 TRP HE1 . 51356 1 211 . 1 . 1 20 20 TRP HE3 H 1 6.989 0.020 . 1 . . . . . 20 TRP HE3 . 51356 1 212 . 1 . 1 20 20 TRP HZ2 H 1 6.921 0.020 . 1 . . . . . 20 TRP HZ2 . 51356 1 213 . 1 . 1 20 20 TRP HZ3 H 1 6.858 0.020 . 1 . . . . . 20 TRP HZ3 . 51356 1 214 . 1 . 1 20 20 TRP HH2 H 1 6.509 0.020 . 1 . . . . . 20 TRP HH2 . 51356 1 215 . 1 . 1 20 20 TRP C C 13 177.604 0.3 . 1 . . . . . 20 TRP C . 51356 1 216 . 1 . 1 20 20 TRP CA C 13 57.759 0.3 . 1 . . . . . 20 TRP CA . 51356 1 217 . 1 . 1 20 20 TRP CB C 13 30.180 0.3 . 1 . . . . . 20 TRP CB . 51356 1 218 . 1 . 1 20 20 TRP CD1 C 13 127.529 0.3 . 1 . . . . . 20 TRP CD1 . 51356 1 219 . 1 . 1 20 20 TRP CE3 C 13 118.768 0.3 . 1 . . . . . 20 TRP CE3 . 51356 1 220 . 1 . 1 20 20 TRP CZ2 C 13 114.966 0.3 . 1 . . . . . 20 TRP CZ2 . 51356 1 221 . 1 . 1 20 20 TRP CZ3 C 13 122.917 0.3 . 1 . . . . . 20 TRP CZ3 . 51356 1 222 . 1 . 1 20 20 TRP CH2 C 13 123.327 0.3 . 1 . . . . . 20 TRP CH2 . 51356 1 223 . 1 . 1 20 20 TRP N N 15 124.027 0.3 . 1 . . . . . 20 TRP N . 51356 1 224 . 1 . 1 20 20 TRP NE1 N 15 128.860 0.3 . 1 . . . . . 20 TRP NE1 . 51356 1 225 . 1 . 1 21 21 ASP H H 1 9.015 0.020 . 1 . . . . . 21 ASP H . 51356 1 226 . 1 . 1 21 21 ASP HA H 1 4.680 0.020 . 1 . . . . . 21 ASP HA . 51356 1 227 . 1 . 1 21 21 ASP HB2 H 1 3.082 0.020 . 1 . . . . . 21 ASP HB2 . 51356 1 228 . 1 . 1 21 21 ASP HB3 H 1 3.082 0.020 . 1 . . . . . 21 ASP HB3 . 51356 1 229 . 1 . 1 21 21 ASP C C 13 174.750 0.3 . 1 . . . . . 21 ASP C . 51356 1 230 . 1 . 1 21 21 ASP CA C 13 52.860 0.3 . 1 . . . . . 21 ASP CA . 51356 1 231 . 1 . 1 21 21 ASP CB C 13 41.009 0.3 . 1 . . . . . 21 ASP CB . 51356 1 232 . 1 . 1 21 21 ASP N N 15 123.705 0.3 . 1 . . . . . 21 ASP N . 51356 1 233 . 1 . 1 22 22 ILE H H 1 7.959 0.020 . 1 . . . . . 22 ILE H . 51356 1 234 . 1 . 1 22 22 ILE HA H 1 3.944 0.020 . 1 . . . . . 22 ILE HA . 51356 1 235 . 1 . 1 22 22 ILE HB H 1 1.789 0.020 . 1 . . . . . 22 ILE HB . 51356 1 236 . 1 . 1 22 22 ILE HG12 H 1 1.288 0.020 . 2 . . . . . 22 ILE HG12 . 51356 1 237 . 1 . 1 22 22 ILE HG13 H 1 1.564 0.020 . 2 . . . . . 22 ILE HG13 . 51356 1 238 . 1 . 1 22 22 ILE HG21 H 1 0.991 0.020 . 1 . . . . . 22 ILE HG2 . 51356 1 239 . 1 . 1 22 22 ILE HG22 H 1 0.991 0.020 . 1 . . . . . 22 ILE HG2 . 51356 1 240 . 1 . 1 22 22 ILE HG23 H 1 0.991 0.020 . 1 . . . . . 22 ILE HG2 . 51356 1 241 . 1 . 1 22 22 ILE HD11 H 1 0.888 0.020 . 1 . . . . . 22 ILE HD1 . 51356 1 242 . 1 . 1 22 22 ILE HD12 H 1 0.888 0.020 . 1 . . . . . 22 ILE HD1 . 51356 1 243 . 1 . 1 22 22 ILE HD13 H 1 0.888 0.020 . 1 . . . . . 22 ILE HD1 . 51356 1 244 . 1 . 1 22 22 ILE C C 13 176.340 0.3 . 1 . . . . . 22 ILE C . 51356 1 245 . 1 . 1 22 22 ILE CA C 13 61.479 0.3 . 1 . . . . . 22 ILE CA . 51356 1 246 . 1 . 1 22 22 ILE CB C 13 38.277 0.3 . 1 . . . . . 22 ILE CB . 51356 1 247 . 1 . 1 22 22 ILE CG1 C 13 27.799 0.3 . 1 . . . . . 22 ILE CG1 . 51356 1 248 . 1 . 1 22 22 ILE CG2 C 13 17.286 0.3 . 1 . . . . . 22 ILE CG2 . 51356 1 249 . 1 . 1 22 22 ILE CD1 C 13 12.822 0.3 . 1 . . . . . 22 ILE CD1 . 51356 1 250 . 1 . 1 22 22 ILE N N 15 117.123 0.3 . 1 . . . . . 22 ILE N . 51356 1 251 . 1 . 1 23 23 CYS H H 1 8.647 0.020 . 1 . . . . . 23 CYS H . 51356 1 252 . 1 . 1 23 23 CYS HA H 1 4.261 0.020 . 1 . . . . . 23 CYS HA . 51356 1 253 . 1 . 1 23 23 CYS HB2 H 1 2.832 0.020 . 2 . . . . . 23 CYS HB2 . 51356 1 254 . 1 . 1 23 23 CYS HB3 H 1 2.965 0.020 . 2 . . . . . 23 CYS HB3 . 51356 1 255 . 1 . 1 23 23 CYS C C 13 175.305 0.3 . 1 . . . . . 23 CYS C . 51356 1 256 . 1 . 1 23 23 CYS CA C 13 57.087 0.3 . 1 . . . . . 23 CYS CA . 51356 1 257 . 1 . 1 23 23 CYS CB C 13 41.790 0.3 . 1 . . . . . 23 CYS CB . 51356 1 258 . 1 . 1 23 23 CYS N N 15 124.117 0.3 . 1 . . . . . 23 CYS N . 51356 1 259 . 1 . 1 24 24 SER H H 1 8.471 0.020 . 1 . . . . . 24 SER H . 51356 1 260 . 1 . 1 24 24 SER HA H 1 4.143 0.020 . 1 . . . . . 24 SER HA . 51356 1 261 . 1 . 1 24 24 SER HB2 H 1 4.155 0.020 . 2 . . . . . 24 SER HB2 . 51356 1 262 . 1 . 1 24 24 SER HB3 H 1 4.114 0.020 . 2 . . . . . 24 SER HB3 . 51356 1 263 . 1 . 1 24 24 SER C C 13 174.072 0.3 . 1 . . . . . 24 SER C . 51356 1 264 . 1 . 1 24 24 SER CA C 13 61.375 0.3 . 1 . . . . . 24 SER CA . 51356 1 265 . 1 . 1 24 24 SER CB C 13 62.564 0.3 . 1 . . . . . 24 SER CB . 51356 1 266 . 1 . 1 24 24 SER N N 15 123.428 0.3 . 1 . . . . . 24 SER N . 51356 1 267 . 1 . 1 25 25 VAL H H 1 6.972 0.020 . 1 . . . . . 25 VAL H . 51356 1 268 . 1 . 1 25 25 VAL HA H 1 4.893 0.020 . 1 . . . . . 25 VAL HA . 51356 1 269 . 1 . 1 25 25 VAL HB H 1 2.443 0.020 . 1 . . . . . 25 VAL HB . 51356 1 270 . 1 . 1 25 25 VAL HG11 H 1 0.496 0.020 . 2 . . . . . 25 VAL HG1 . 51356 1 271 . 1 . 1 25 25 VAL HG12 H 1 0.496 0.020 . 2 . . . . . 25 VAL HG1 . 51356 1 272 . 1 . 1 25 25 VAL HG13 H 1 0.496 0.020 . 2 . . . . . 25 VAL HG1 . 51356 1 273 . 1 . 1 25 25 VAL HG21 H 1 1.006 0.020 . 2 . . . . . 25 VAL HG2 . 51356 1 274 . 1 . 1 25 25 VAL HG22 H 1 1.006 0.020 . 2 . . . . . 25 VAL HG2 . 51356 1 275 . 1 . 1 25 25 VAL HG23 H 1 1.006 0.020 . 2 . . . . . 25 VAL HG2 . 51356 1 276 . 1 . 1 25 25 VAL C C 13 176.588 0.3 . 1 . . . . . 25 VAL C . 51356 1 277 . 1 . 1 25 25 VAL CA C 13 59.011 0.3 . 1 . . . . . 25 VAL CA . 51356 1 278 . 1 . 1 25 25 VAL CB C 13 36.733 0.3 . 1 . . . . . 25 VAL CB . 51356 1 279 . 1 . 1 25 25 VAL CG1 C 13 18.652 0.3 . 2 . . . . . 25 VAL CG1 . 51356 1 280 . 1 . 1 25 25 VAL CG2 C 13 22.181 0.3 . 2 . . . . . 25 VAL CG2 . 51356 1 281 . 1 . 1 25 25 VAL N N 15 111.334 0.3 . 1 . . . . . 25 VAL N . 51356 1 282 . 1 . 1 26 26 THR H H 1 9.442 0.020 . 1 . . . . . 26 THR H . 51356 1 283 . 1 . 1 26 26 THR HA H 1 4.431 0.020 . 1 . . . . . 26 THR HA . 51356 1 284 . 1 . 1 26 26 THR HB H 1 4.432 0.020 . 1 . . . . . 26 THR HB . 51356 1 285 . 1 . 1 26 26 THR HG21 H 1 1.167 0.020 . 1 . . . . . 26 THR HG2 . 51356 1 286 . 1 . 1 26 26 THR HG22 H 1 1.167 0.020 . 1 . . . . . 26 THR HG2 . 51356 1 287 . 1 . 1 26 26 THR HG23 H 1 1.167 0.020 . 1 . . . . . 26 THR HG2 . 51356 1 288 . 1 . 1 26 26 THR C C 13 173.882 0.3 . 1 . . . . . 26 THR C . 51356 1 289 . 1 . 1 26 26 THR CA C 13 61.393 0.3 . 1 . . . . . 26 THR CA . 51356 1 290 . 1 . 1 26 26 THR CB C 13 71.446 0.3 . 1 . . . . . 26 THR CB . 51356 1 291 . 1 . 1 26 26 THR CG2 C 13 16.931 0.3 . 1 . . . . . 26 THR CG2 . 51356 1 292 . 1 . 1 26 26 THR N N 15 108.189 0.3 . 1 . . . . . 26 THR N . 51356 1 293 . 1 . 1 27 27 CYS H H 1 7.604 0.020 . 1 . . . . . 27 CYS H . 51356 1 294 . 1 . 1 27 27 CYS HA H 1 4.549 0.020 . 1 . . . . . 27 CYS HA . 51356 1 295 . 1 . 1 27 27 CYS HB2 H 1 2.921 0.020 . 2 . . . . . 27 CYS HB2 . 51356 1 296 . 1 . 1 27 27 CYS HB3 H 1 3.545 0.020 . 2 . . . . . 27 CYS HB3 . 51356 1 297 . 1 . 1 27 27 CYS C C 13 172.563 0.3 . 1 . . . . . 27 CYS C . 51356 1 298 . 1 . 1 27 27 CYS CA C 13 55.547 0.3 . 1 . . . . . 27 CYS CA . 51356 1 299 . 1 . 1 27 27 CYS CB C 13 44.590 0.3 . 1 . . . . . 27 CYS CB . 51356 1 300 . 1 . 1 27 27 CYS N N 15 113.687 0.3 . 1 . . . . . 27 CYS N . 51356 1 301 . 1 . 1 28 28 GLY H H 1 9.137 0.020 . 1 . . . . . 28 GLY H . 51356 1 302 . 1 . 1 28 28 GLY HA2 H 1 3.757 0.020 . 2 . . . . . 28 GLY HA2 . 51356 1 303 . 1 . 1 28 28 GLY HA3 H 1 4.098 0.020 . 2 . . . . . 28 GLY HA3 . 51356 1 304 . 1 . 1 28 28 GLY C C 13 174.444 0.3 . 1 . . . . . 28 GLY C . 51356 1 305 . 1 . 1 28 28 GLY CA C 13 45.968 0.3 . 1 . . . . . 28 GLY CA . 51356 1 306 . 1 . 1 28 28 GLY N N 15 108.874 0.3 . 1 . . . . . 28 GLY N . 51356 1 307 . 1 . 1 29 29 GLY H H 1 8.388 0.020 . 1 . . . . . 29 GLY H . 51356 1 308 . 1 . 1 29 29 GLY HA2 H 1 3.126 0.020 . 2 . . . . . 29 GLY HA2 . 51356 1 309 . 1 . 1 29 29 GLY HA3 H 1 4.284 0.020 . 2 . . . . . 29 GLY HA3 . 51356 1 310 . 1 . 1 29 29 GLY C C 13 171.966 0.3 . 1 . . . . . 29 GLY C . 51356 1 311 . 1 . 1 29 29 GLY CA C 13 45.651 0.3 . 1 . . . . . 29 GLY CA . 51356 1 312 . 1 . 1 29 29 GLY N N 15 109.548 0.3 . 1 . . . . . 29 GLY N . 51356 1 313 . 1 . 1 30 30 GLY H H 1 8.580 0.020 . 1 . . . . . 30 GLY H . 51356 1 314 . 1 . 1 30 30 GLY HA2 H 1 3.690 0.020 . 2 . . . . . 30 GLY HA2 . 51356 1 315 . 1 . 1 30 30 GLY HA3 H 1 4.448 0.020 . 2 . . . . . 30 GLY HA3 . 51356 1 316 . 1 . 1 30 30 GLY C C 13 173.510 0.3 . 1 . . . . . 30 GLY C . 51356 1 317 . 1 . 1 30 30 GLY CA C 13 44.549 0.3 . 1 . . . . . 30 GLY CA . 51356 1 318 . 1 . 1 30 30 GLY N N 15 115.546 0.3 . 1 . . . . . 30 GLY N . 51356 1 319 . 1 . 1 31 31 VAL H H 1 8.709 0.020 . 1 . . . . . 31 VAL H . 51356 1 320 . 1 . 1 31 31 VAL HA H 1 5.239 0.020 . 1 . . . . . 31 VAL HA . 51356 1 321 . 1 . 1 31 31 VAL HB H 1 1.935 0.020 . 1 . . . . . 31 VAL HB . 51356 1 322 . 1 . 1 31 31 VAL HG11 H 1 0.850 0.020 . 2 . . . . . 31 VAL HG1 . 51356 1 323 . 1 . 1 31 31 VAL HG12 H 1 0.850 0.020 . 2 . . . . . 31 VAL HG1 . 51356 1 324 . 1 . 1 31 31 VAL HG13 H 1 0.850 0.020 . 2 . . . . . 31 VAL HG1 . 51356 1 325 . 1 . 1 31 31 VAL HG21 H 1 0.840 0.020 . 2 . . . . . 31 VAL HG2 . 51356 1 326 . 1 . 1 31 31 VAL HG22 H 1 0.840 0.020 . 2 . . . . . 31 VAL HG2 . 51356 1 327 . 1 . 1 31 31 VAL HG23 H 1 0.840 0.020 . 2 . . . . . 31 VAL HG2 . 51356 1 328 . 1 . 1 31 31 VAL C C 13 175.417 0.3 . 1 . . . . . 31 VAL C . 51356 1 329 . 1 . 1 31 31 VAL CA C 13 60.170 0.3 . 1 . . . . . 31 VAL CA . 51356 1 330 . 1 . 1 31 31 VAL CB C 13 36.459 0.3 . 1 . . . . . 31 VAL CB . 51356 1 331 . 1 . 1 31 31 VAL CG1 C 13 20.051 0.3 . 2 . . . . . 31 VAL CG1 . 51356 1 332 . 1 . 1 31 31 VAL CG2 C 13 21.078 0.3 . 2 . . . . . 31 VAL CG2 . 51356 1 333 . 1 . 1 31 31 VAL N N 15 117.327 0.3 . 1 . . . . . 31 VAL N . 51356 1 334 . 1 . 1 32 32 GLN H H 1 8.587 0.020 . 1 . . . . . 32 GLN H . 51356 1 335 . 1 . 1 32 32 GLN HA H 1 5.049 0.020 . 1 . . . . . 32 GLN HA . 51356 1 336 . 1 . 1 32 32 GLN HB2 H 1 2.036 0.020 . 2 . . . . . 32 GLN HB2 . 51356 1 337 . 1 . 1 32 32 GLN HB3 H 1 2.353 0.020 . 2 . . . . . 32 GLN HB3 . 51356 1 338 . 1 . 1 32 32 GLN HG2 H 1 1.974 0.020 . 1 . . . . . 32 GLN HG2 . 51356 1 339 . 1 . 1 32 32 GLN HG3 H 1 1.974 0.020 . 1 . . . . . 32 GLN HG3 . 51356 1 340 . 1 . 1 32 32 GLN HE21 H 1 7.786 0.020 . 1 . . . . . 32 GLN HE21 . 51356 1 341 . 1 . 1 32 32 GLN HE22 H 1 6.799 0.020 . 1 . . . . . 32 GLN HE22 . 51356 1 342 . 1 . 1 32 32 GLN C C 13 173.475 0.3 . 1 . . . . . 32 GLN C . 51356 1 343 . 1 . 1 32 32 GLN CA C 13 53.780 0.3 . 1 . . . . . 32 GLN CA . 51356 1 344 . 1 . 1 32 32 GLN CB C 13 31.326 0.3 . 1 . . . . . 32 GLN CB . 51356 1 345 . 1 . 1 32 32 GLN CG C 13 33.643 0.3 . 1 . . . . . 32 GLN CG . 51356 1 346 . 1 . 1 32 32 GLN N N 15 120.697 0.3 . 1 . . . . . 32 GLN N . 51356 1 347 . 1 . 1 32 32 GLN NE2 N 15 110.928 0.3 . 1 . . . . . 32 GLN NE2 . 51356 1 348 . 1 . 1 33 33 LYS H H 1 8.838 0.020 . 1 . . . . . 33 LYS H . 51356 1 349 . 1 . 1 33 33 LYS HA H 1 6.041 0.020 . 1 . . . . . 33 LYS HA . 51356 1 350 . 1 . 1 33 33 LYS HB2 H 1 1.849 0.020 . 1 . . . . . 33 LYS HB2 . 51356 1 351 . 1 . 1 33 33 LYS HB3 H 1 1.849 0.020 . 1 . . . . . 33 LYS HB3 . 51356 1 352 . 1 . 1 33 33 LYS HG2 H 1 1.349 0.020 . 2 . . . . . 33 LYS HG2 . 51356 1 353 . 1 . 1 33 33 LYS HG3 H 1 1.559 0.020 . 2 . . . . . 33 LYS HG3 . 51356 1 354 . 1 . 1 33 33 LYS HD2 H 1 1.627 0.020 . 1 . . . . . 33 LYS HD2 . 51356 1 355 . 1 . 1 33 33 LYS HD3 H 1 1.627 0.020 . 1 . . . . . 33 LYS HD3 . 51356 1 356 . 1 . 1 33 33 LYS HE2 H 1 2.970 0.020 . 1 . . . . . 33 LYS HE2 . 51356 1 357 . 1 . 1 33 33 LYS HE3 H 1 2.970 0.020 . 1 . . . . . 33 LYS HE3 . 51356 1 358 . 1 . 1 33 33 LYS C C 13 175.286 0.3 . 1 . . . . . 33 LYS C . 51356 1 359 . 1 . 1 33 33 LYS CA C 13 54.964 0.3 . 1 . . . . . 33 LYS CA . 51356 1 360 . 1 . 1 33 33 LYS CB C 13 37.237 0.3 . 1 . . . . . 33 LYS CB . 51356 1 361 . 1 . 1 33 33 LYS CG C 13 24.051 0.3 . 1 . . . . . 33 LYS CG . 51356 1 362 . 1 . 1 33 33 LYS CD C 13 29.619 0.3 . 1 . . . . . 33 LYS CD . 51356 1 363 . 1 . 1 33 33 LYS CE C 13 42.073 0.3 . 1 . . . . . 33 LYS CE . 51356 1 364 . 1 . 1 33 33 LYS N N 15 120.196 0.3 . 1 . . . . . 33 LYS N . 51356 1 365 . 1 . 1 34 34 ARG H H 1 8.472 0.020 . 1 . . . . . 34 ARG H . 51356 1 366 . 1 . 1 34 34 ARG HA H 1 4.551 0.020 . 1 . . . . . 34 ARG HA . 51356 1 367 . 1 . 1 34 34 ARG C C 13 174.156 0.3 . 1 . . . . . 34 ARG C . 51356 1 368 . 1 . 1 34 34 ARG CA C 13 54.496 0.3 . 1 . . . . . 34 ARG CA . 51356 1 369 . 1 . 1 34 34 ARG CB C 13 33.060 0.3 . 1 . . . . . 34 ARG CB . 51356 1 370 . 1 . 1 34 34 ARG N N 15 117.537 0.3 . 1 . . . . . 34 ARG N . 51356 1 371 . 1 . 1 35 35 SER H H 1 8.577 0.020 . 1 . . . . . 35 SER H . 51356 1 372 . 1 . 1 35 35 SER HA H 1 5.999 0.020 . 1 . . . . . 35 SER HA . 51356 1 373 . 1 . 1 35 35 SER HB2 H 1 3.863 0.020 . 1 . . . . . 35 SER HB2 . 51356 1 374 . 1 . 1 35 35 SER HB3 H 1 3.863 0.020 . 1 . . . . . 35 SER HB3 . 51356 1 375 . 1 . 1 35 35 SER C C 13 172.432 0.3 . 1 . . . . . 35 SER C . 51356 1 376 . 1 . 1 35 35 SER CA C 13 57.654 0.3 . 1 . . . . . 35 SER CA . 51356 1 377 . 1 . 1 35 35 SER CB C 13 67.654 0.3 . 1 . . . . . 35 SER CB . 51356 1 378 . 1 . 1 35 35 SER N N 15 113.088 0.3 . 1 . . . . . 35 SER N . 51356 1 379 . 1 . 1 36 36 ARG H H 1 8.507 0.020 . 1 . . . . . 36 ARG H . 51356 1 380 . 1 . 1 36 36 ARG HA H 1 4.717 0.020 . 1 . . . . . 36 ARG HA . 51356 1 381 . 1 . 1 36 36 ARG C C 13 173.371 0.3 . 1 . . . . . 36 ARG C . 51356 1 382 . 1 . 1 36 36 ARG CA C 13 54.110 0.3 . 1 . . . . . 36 ARG CA . 51356 1 383 . 1 . 1 36 36 ARG CB C 13 32.727 0.3 . 1 . . . . . 36 ARG CB . 51356 1 384 . 1 . 1 36 36 ARG N N 15 118.052 0.3 . 1 . . . . . 36 ARG N . 51356 1 385 . 1 . 1 37 37 LEU H H 1 8.490 0.020 . 1 . . . . . 37 LEU H . 51356 1 386 . 1 . 1 37 37 LEU HA H 1 4.923 0.020 . 1 . . . . . 37 LEU HA . 51356 1 387 . 1 . 1 37 37 LEU HB2 H 1 1.198 0.020 . 2 . . . . . 37 LEU HB2 . 51356 1 388 . 1 . 1 37 37 LEU HB3 H 1 1.563 0.020 . 2 . . . . . 37 LEU HB3 . 51356 1 389 . 1 . 1 37 37 LEU HG H 1 1.517 0.020 . 1 . . . . . 37 LEU HG . 51356 1 390 . 1 . 1 37 37 LEU HD11 H 1 0.905 0.020 . 2 . . . . . 37 LEU HD1 . 51356 1 391 . 1 . 1 37 37 LEU HD12 H 1 0.905 0.020 . 2 . . . . . 37 LEU HD1 . 51356 1 392 . 1 . 1 37 37 LEU HD13 H 1 0.905 0.020 . 2 . . . . . 37 LEU HD1 . 51356 1 393 . 1 . 1 37 37 LEU HD21 H 1 0.866 0.020 . 2 . . . . . 37 LEU HD2 . 51356 1 394 . 1 . 1 37 37 LEU HD22 H 1 0.866 0.020 . 2 . . . . . 37 LEU HD2 . 51356 1 395 . 1 . 1 37 37 LEU HD23 H 1 0.866 0.020 . 2 . . . . . 37 LEU HD2 . 51356 1 396 . 1 . 1 37 37 LEU C C 13 177.029 0.3 . 1 . . . . . 37 LEU C . 51356 1 397 . 1 . 1 37 37 LEU CA C 13 52.942 0.3 . 1 . . . . . 37 LEU CA . 51356 1 398 . 1 . 1 37 37 LEU CB C 13 46.000 0.3 . 1 . . . . . 37 LEU CB . 51356 1 399 . 1 . 1 37 37 LEU CG C 13 26.919 0.3 . 1 . . . . . 37 LEU CG . 51356 1 400 . 1 . 1 37 37 LEU CD1 C 13 23.658 0.3 . 2 . . . . . 37 LEU CD1 . 51356 1 401 . 1 . 1 37 37 LEU CD2 C 13 25.523 0.3 . 2 . . . . . 37 LEU CD2 . 51356 1 402 . 1 . 1 37 37 LEU N N 15 117.732 0.3 . 1 . . . . . 37 LEU N . 51356 1 403 . 1 . 1 38 38 CYS H H 1 9.136 0.020 . 1 . . . . . 38 CYS H . 51356 1 404 . 1 . 1 38 38 CYS HA H 1 4.712 0.020 . 1 . . . . . 38 CYS HA . 51356 1 405 . 1 . 1 38 38 CYS HB2 H 1 2.237 0.020 . 2 . . . . . 38 CYS HB2 . 51356 1 406 . 1 . 1 38 38 CYS HB3 H 1 2.932 0.020 . 2 . . . . . 38 CYS HB3 . 51356 1 407 . 1 . 1 38 38 CYS C C 13 173.524 0.3 . 1 . . . . . 38 CYS C . 51356 1 408 . 1 . 1 38 38 CYS CA C 13 52.448 0.3 . 1 . . . . . 38 CYS CA . 51356 1 409 . 1 . 1 38 38 CYS CB C 13 36.574 0.3 . 1 . . . . . 38 CYS CB . 51356 1 410 . 1 . 1 38 38 CYS N N 15 124.252 0.3 . 1 . . . . . 38 CYS N . 51356 1 411 . 1 . 1 39 39 ASN H H 1 7.509 0.020 . 1 . . . . . 39 ASN H . 51356 1 412 . 1 . 1 39 39 ASN HA H 1 4.564 0.020 . 1 . . . . . 39 ASN HA . 51356 1 413 . 1 . 1 39 39 ASN HB2 H 1 2.410 0.020 . 2 . . . . . 39 ASN HB2 . 51356 1 414 . 1 . 1 39 39 ASN HB3 H 1 3.170 0.020 . 2 . . . . . 39 ASN HB3 . 51356 1 415 . 1 . 1 39 39 ASN HD21 H 1 6.591 0.020 . 1 . . . . . 39 ASN HD21 . 51356 1 416 . 1 . 1 39 39 ASN HD22 H 1 7.507 0.020 . 1 . . . . . 39 ASN HD22 . 51356 1 417 . 1 . 1 39 39 ASN C C 13 174.463 0.3 . 1 . . . . . 39 ASN C . 51356 1 418 . 1 . 1 39 39 ASN CA C 13 50.951 0.3 . 1 . . . . . 39 ASN CA . 51356 1 419 . 1 . 1 39 39 ASN CB C 13 38.782 0.3 . 1 . . . . . 39 ASN CB . 51356 1 420 . 1 . 1 39 39 ASN N N 15 121.147 0.3 . 1 . . . . . 39 ASN N . 51356 1 421 . 1 . 1 39 39 ASN ND2 N 15 108.265 0.3 . 1 . . . . . 39 ASN ND2 . 51356 1 422 . 1 . 1 40 40 ASN H H 1 8.631 0.020 . 1 . . . . . 40 ASN H . 51356 1 423 . 1 . 1 40 40 ASN HA H 1 5.098 0.020 . 1 . . . . . 40 ASN HA . 51356 1 424 . 1 . 1 40 40 ASN HB2 H 1 2.129 0.020 . 2 . . . . . 40 ASN HB2 . 51356 1 425 . 1 . 1 40 40 ASN HB3 H 1 2.424 0.020 . 2 . . . . . 40 ASN HB3 . 51356 1 426 . 1 . 1 40 40 ASN HD21 H 1 7.062 0.020 . 1 . . . . . 40 ASN HD21 . 51356 1 427 . 1 . 1 40 40 ASN HD22 H 1 6.806 0.020 . 1 . . . . . 40 ASN HD22 . 51356 1 428 . 1 . 1 40 40 ASN C C 13 171.091 0.3 . 1 . . . . . 40 ASN C . 51356 1 429 . 1 . 1 40 40 ASN CA C 13 50.857 0.3 . 1 . . . . . 40 ASN CA . 51356 1 430 . 1 . 1 40 40 ASN CB C 13 39.337 0.3 . 1 . . . . . 40 ASN CB . 51356 1 431 . 1 . 1 40 40 ASN N N 15 120.072 0.3 . 1 . . . . . 40 ASN N . 51356 1 432 . 1 . 1 40 40 ASN ND2 N 15 110.359 0.3 . 1 . . . . . 40 ASN ND2 . 51356 1 433 . 1 . 1 41 41 PRO HA H 1 4.312 0.020 . 1 . . . . . 41 PRO HA . 51356 1 434 . 1 . 1 41 41 PRO HB2 H 1 2.014 0.020 . 2 . . . . . 41 PRO HB2 . 51356 1 435 . 1 . 1 41 41 PRO HB3 H 1 2.079 0.020 . 2 . . . . . 41 PRO HB3 . 51356 1 436 . 1 . 1 41 41 PRO HG2 H 1 1.690 0.020 . 2 . . . . . 41 PRO HG2 . 51356 1 437 . 1 . 1 41 41 PRO HG3 H 1 1.737 0.020 . 2 . . . . . 41 PRO HG3 . 51356 1 438 . 1 . 1 41 41 PRO HD2 H 1 3.266 0.020 . 2 . . . . . 41 PRO HD2 . 51356 1 439 . 1 . 1 41 41 PRO HD3 H 1 3.365 0.020 . 2 . . . . . 41 PRO HD3 . 51356 1 440 . 1 . 1 41 41 PRO C C 13 175.880 0.3 . 1 . . . . . 41 PRO C . 51356 1 441 . 1 . 1 41 41 PRO CA C 13 62.328 0.3 . 1 . . . . . 41 PRO CA . 51356 1 442 . 1 . 1 41 41 PRO CB C 13 34.281 0.3 . 1 . . . . . 41 PRO CB . 51356 1 443 . 1 . 1 41 41 PRO CG C 13 23.898 0.3 . 1 . . . . . 41 PRO CG . 51356 1 444 . 1 . 1 41 41 PRO CD C 13 49.689 0.3 . 1 . . . . . 41 PRO CD . 51356 1 445 . 1 . 1 42 42 ALA H H 1 7.977 0.020 . 1 . . . . . 42 ALA H . 51356 1 446 . 1 . 1 42 42 ALA HA H 1 4.671 0.020 . 1 . . . . . 42 ALA HA . 51356 1 447 . 1 . 1 42 42 ALA HB1 H 1 1.213 0.020 . 1 . . . . . 42 ALA HB . 51356 1 448 . 1 . 1 42 42 ALA HB2 H 1 1.213 0.020 . 1 . . . . . 42 ALA HB . 51356 1 449 . 1 . 1 42 42 ALA HB3 H 1 1.213 0.020 . 1 . . . . . 42 ALA HB . 51356 1 450 . 1 . 1 42 42 ALA C C 13 176.033 0.3 . 1 . . . . . 42 ALA C . 51356 1 451 . 1 . 1 42 42 ALA CA C 13 49.814 0.3 . 1 . . . . . 42 ALA CA . 51356 1 452 . 1 . 1 42 42 ALA CB C 13 16.884 0.3 . 1 . . . . . 42 ALA CB . 51356 1 453 . 1 . 1 42 42 ALA N N 15 119.385 0.3 . 1 . . . . . 42 ALA N . 51356 1 454 . 1 . 1 43 43 PRO HA H 1 4.420 0.020 . 1 . . . . . 43 PRO HA . 51356 1 455 . 1 . 1 43 43 PRO HB2 H 1 1.537 0.020 . 2 . . . . . 43 PRO HB2 . 51356 1 456 . 1 . 1 43 43 PRO HB3 H 1 1.835 0.020 . 2 . . . . . 43 PRO HB3 . 51356 1 457 . 1 . 1 43 43 PRO HG2 H 1 1.788 0.020 . 2 . . . . . 43 PRO HG2 . 51356 1 458 . 1 . 1 43 43 PRO HG3 H 1 2.062 0.020 . 2 . . . . . 43 PRO HG3 . 51356 1 459 . 1 . 1 43 43 PRO HD2 H 1 3.493 0.020 . 2 . . . . . 43 PRO HD2 . 51356 1 460 . 1 . 1 43 43 PRO HD3 H 1 3.800 0.020 . 2 . . . . . 43 PRO HD3 . 51356 1 461 . 1 . 1 43 43 PRO C C 13 178.217 0.3 . 1 . . . . . 43 PRO C . 51356 1 462 . 1 . 1 43 43 PRO CA C 13 62.062 0.3 . 1 . . . . . 43 PRO CA . 51356 1 463 . 1 . 1 43 43 PRO CB C 13 30.925 0.3 . 1 . . . . . 43 PRO CB . 51356 1 464 . 1 . 1 43 43 PRO CG C 13 28.038 0.3 . 1 . . . . . 43 PRO CG . 51356 1 465 . 1 . 1 43 43 PRO CD C 13 49.778 0.3 . 1 . . . . . 43 PRO CD . 51356 1 466 . 1 . 1 44 44 GLN H H 1 8.697 0.020 . 1 . . . . . 44 GLN H . 51356 1 467 . 1 . 1 44 44 GLN HA H 1 4.415 0.020 . 1 . . . . . 44 GLN HA . 51356 1 468 . 1 . 1 44 44 GLN HB2 H 1 1.325 0.020 . 2 . . . . . 44 GLN HB2 . 51356 1 469 . 1 . 1 44 44 GLN HB3 H 1 1.389 0.020 . 2 . . . . . 44 GLN HB3 . 51356 1 470 . 1 . 1 44 44 GLN HG2 H 1 1.750 0.020 . 2 . . . . . 44 GLN HG2 . 51356 1 471 . 1 . 1 44 44 GLN HG3 H 1 1.997 0.020 . 2 . . . . . 44 GLN HG3 . 51356 1 472 . 1 . 1 44 44 GLN HE21 H 1 7.457 0.020 . 1 . . . . . 44 GLN HE21 . 51356 1 473 . 1 . 1 44 44 GLN HE22 H 1 6.803 0.020 . 1 . . . . . 44 GLN HE22 . 51356 1 474 . 1 . 1 44 44 GLN C C 13 176.531 0.3 . 1 . . . . . 44 GLN C . 51356 1 475 . 1 . 1 44 44 GLN CA C 13 54.904 0.3 . 1 . . . . . 44 GLN CA . 51356 1 476 . 1 . 1 44 44 GLN CB C 13 35.219 0.3 . 1 . . . . . 44 GLN CB . 51356 1 477 . 1 . 1 44 44 GLN CG C 13 33.800 0.3 . 1 . . . . . 44 GLN CG . 51356 1 478 . 1 . 1 44 44 GLN N N 15 120.386 0.3 . 1 . . . . . 44 GLN N . 51356 1 479 . 1 . 1 44 44 GLN NE2 N 15 111.674 0.3 . 1 . . . . . 44 GLN NE2 . 51356 1 480 . 1 . 1 45 45 PHE H H 1 9.076 0.020 . 1 . . . . . 45 PHE H . 51356 1 481 . 1 . 1 45 45 PHE HA H 1 4.351 0.020 . 1 . . . . . 45 PHE HA . 51356 1 482 . 1 . 1 45 45 PHE HB2 H 1 3.020 0.020 . 2 . . . . . 45 PHE HB2 . 51356 1 483 . 1 . 1 45 45 PHE HB3 H 1 3.148 0.020 . 2 . . . . . 45 PHE HB3 . 51356 1 484 . 1 . 1 45 45 PHE HD1 H 1 7.162 0.020 . 1 . . . . . 45 PHE HD1 . 51356 1 485 . 1 . 1 45 45 PHE HD2 H 1 7.162 0.020 . 1 . . . . . 45 PHE HD2 . 51356 1 486 . 1 . 1 45 45 PHE HE1 H 1 7.310 0.020 . 1 . . . . . 45 PHE HE1 . 51356 1 487 . 1 . 1 45 45 PHE HE2 H 1 7.310 0.020 . 1 . . . . . 45 PHE HE2 . 51356 1 488 . 1 . 1 45 45 PHE HZ H 1 7.237 0.020 . 1 . . . . . 45 PHE HZ . 51356 1 489 . 1 . 1 45 45 PHE C C 13 175.497 0.3 . 1 . . . . . 45 PHE C . 51356 1 490 . 1 . 1 45 45 PHE CA C 13 57.579 0.3 . 1 . . . . . 45 PHE CA . 51356 1 491 . 1 . 1 45 45 PHE CB C 13 36.200 0.3 . 1 . . . . . 45 PHE CB . 51356 1 492 . 1 . 1 45 45 PHE CD1 C 13 131.745 0.3 . 1 . . . . . 45 PHE CD1 . 51356 1 493 . 1 . 1 45 45 PHE CD2 C 13 131.745 0.3 . 1 . . . . . 45 PHE CD2 . 51356 1 494 . 1 . 1 45 45 PHE CE1 C 13 131.603 0.3 . 1 . . . . . 45 PHE CE1 . 51356 1 495 . 1 . 1 45 45 PHE CE2 C 13 131.603 0.3 . 1 . . . . . 45 PHE CE2 . 51356 1 496 . 1 . 1 45 45 PHE CZ C 13 129.696 0.3 . 1 . . . . . 45 PHE CZ . 51356 1 497 . 1 . 1 45 45 PHE N N 15 120.882 0.3 . 1 . . . . . 45 PHE N . 51356 1 498 . 1 . 1 46 46 GLY H H 1 8.595 0.020 . 1 . . . . . 46 GLY H . 51356 1 499 . 1 . 1 46 46 GLY HA2 H 1 3.628 0.020 . 2 . . . . . 46 GLY HA2 . 51356 1 500 . 1 . 1 46 46 GLY HA3 H 1 4.212 0.020 . 2 . . . . . 46 GLY HA3 . 51356 1 501 . 1 . 1 46 46 GLY C C 13 176.187 0.3 . 1 . . . . . 46 GLY C . 51356 1 502 . 1 . 1 46 46 GLY CA C 13 44.981 0.3 . 1 . . . . . 46 GLY CA . 51356 1 503 . 1 . 1 46 46 GLY N N 15 104.474 0.3 . 1 . . . . . 46 GLY N . 51356 1 504 . 1 . 1 47 47 GLY H H 1 7.495 0.020 . 1 . . . . . 47 GLY H . 51356 1 505 . 1 . 1 47 47 GLY HA2 H 1 3.764 0.020 . 2 . . . . . 47 GLY HA2 . 51356 1 506 . 1 . 1 47 47 GLY HA3 H 1 3.926 0.020 . 2 . . . . . 47 GLY HA3 . 51356 1 507 . 1 . 1 47 47 GLY C C 13 172.260 0.3 . 1 . . . . . 47 GLY C . 51356 1 508 . 1 . 1 47 47 GLY CA C 13 44.022 0.3 . 1 . . . . . 47 GLY CA . 51356 1 509 . 1 . 1 47 47 GLY N N 15 106.435 0.3 . 1 . . . . . 47 GLY N . 51356 1 510 . 1 . 1 48 48 LYS H H 1 8.500 0.020 . 1 . . . . . 48 LYS H . 51356 1 511 . 1 . 1 48 48 LYS HA H 1 4.077 0.020 . 1 . . . . . 48 LYS HA . 51356 1 512 . 1 . 1 48 48 LYS HB2 H 1 1.502 0.020 . 2 . . . . . 48 LYS HB2 . 51356 1 513 . 1 . 1 48 48 LYS HB3 H 1 1.808 0.020 . 2 . . . . . 48 LYS HB3 . 51356 1 514 . 1 . 1 48 48 LYS HG2 H 1 1.502 0.020 . 1 . . . . . 48 LYS HG2 . 51356 1 515 . 1 . 1 48 48 LYS HG3 H 1 1.502 0.020 . 1 . . . . . 48 LYS HG3 . 51356 1 516 . 1 . 1 48 48 LYS HD2 H 1 1.594 0.020 . 2 . . . . . 48 LYS HD2 . 51356 1 517 . 1 . 1 48 48 LYS HD3 H 1 1.649 0.020 . 2 . . . . . 48 LYS HD3 . 51356 1 518 . 1 . 1 48 48 LYS HE2 H 1 2.962 0.020 . 1 . . . . . 48 LYS HE2 . 51356 1 519 . 1 . 1 48 48 LYS HE3 H 1 2.962 0.020 . 1 . . . . . 48 LYS HE3 . 51356 1 520 . 1 . 1 48 48 LYS C C 13 176.225 0.3 . 1 . . . . . 48 LYS C . 51356 1 521 . 1 . 1 48 48 LYS CA C 13 56.456 0.3 . 1 . . . . . 48 LYS CA . 51356 1 522 . 1 . 1 48 48 LYS CB C 13 33.355 0.3 . 1 . . . . . 48 LYS CB . 51356 1 523 . 1 . 1 48 48 LYS CG C 13 25.000 0.3 . 1 . . . . . 48 LYS CG . 51356 1 524 . 1 . 1 48 48 LYS CD C 13 29.030 0.3 . 1 . . . . . 48 LYS CD . 51356 1 525 . 1 . 1 48 48 LYS CE C 13 42.059 0.3 . 1 . . . . . 48 LYS CE . 51356 1 526 . 1 . 1 48 48 LYS N N 15 120.200 0.3 . 1 . . . . . 48 LYS N . 51356 1 527 . 1 . 1 49 49 ASP H H 1 8.188 0.020 . 1 . . . . . 49 ASP H . 51356 1 528 . 1 . 1 49 49 ASP HA H 1 4.360 0.020 . 1 . . . . . 49 ASP HA . 51356 1 529 . 1 . 1 49 49 ASP HB2 H 1 2.497 0.020 . 2 . . . . . 49 ASP HB2 . 51356 1 530 . 1 . 1 49 49 ASP HB3 H 1 2.580 0.020 . 2 . . . . . 49 ASP HB3 . 51356 1 531 . 1 . 1 49 49 ASP C C 13 177.530 0.3 . 1 . . . . . 49 ASP C . 51356 1 532 . 1 . 1 49 49 ASP CA C 13 53.467 0.3 . 1 . . . . . 49 ASP CA . 51356 1 533 . 1 . 1 49 49 ASP CB C 13 41.023 0.3 . 1 . . . . . 49 ASP CB . 51356 1 534 . 1 . 1 49 49 ASP N N 15 120.652 0.3 . 1 . . . . . 49 ASP N . 51356 1 535 . 1 . 1 50 50 CYS H H 1 8.262 0.020 . 1 . . . . . 50 CYS H . 51356 1 536 . 1 . 1 50 50 CYS HA H 1 3.763 0.020 . 1 . . . . . 50 CYS HA . 51356 1 537 . 1 . 1 50 50 CYS HB2 H 1 0.529 0.020 . 2 . . . . . 50 CYS HB2 . 51356 1 538 . 1 . 1 50 50 CYS HB3 H 1 1.291 0.020 . 2 . . . . . 50 CYS HB3 . 51356 1 539 . 1 . 1 50 50 CYS C C 13 173.945 0.3 . 1 . . . . . 50 CYS C . 51356 1 540 . 1 . 1 50 50 CYS CA C 13 61.016 0.3 . 1 . . . . . 50 CYS CA . 51356 1 541 . 1 . 1 50 50 CYS CB C 13 35.897 0.3 . 1 . . . . . 50 CYS CB . 51356 1 542 . 1 . 1 50 50 CYS N N 15 119.268 0.3 . 1 . . . . . 50 CYS N . 51356 1 543 . 1 . 1 51 51 VAL H H 1 8.357 0.020 . 1 . . . . . 51 VAL H . 51356 1 544 . 1 . 1 51 51 VAL HA H 1 4.130 0.020 . 1 . . . . . 51 VAL HA . 51356 1 545 . 1 . 1 51 51 VAL HB H 1 1.981 0.020 . 1 . . . . . 51 VAL HB . 51356 1 546 . 1 . 1 51 51 VAL HG11 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG1 . 51356 1 547 . 1 . 1 51 51 VAL HG12 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG1 . 51356 1 548 . 1 . 1 51 51 VAL HG13 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG1 . 51356 1 549 . 1 . 1 51 51 VAL HG21 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG2 . 51356 1 550 . 1 . 1 51 51 VAL HG22 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG2 . 51356 1 551 . 1 . 1 51 51 VAL HG23 H 1 0.944 0.020 . 1 . . . . . 51 VAL HG2 . 51356 1 552 . 1 . 1 51 51 VAL C C 13 176.129 0.3 . 1 . . . . . 51 VAL C . 51356 1 553 . 1 . 1 51 51 VAL CA C 13 62.460 0.3 . 1 . . . . . 51 VAL CA . 51356 1 554 . 1 . 1 51 51 VAL CB C 13 33.096 0.3 . 1 . . . . . 51 VAL CB . 51356 1 555 . 1 . 1 51 51 VAL CG1 C 13 20.986 0.3 . 1 . . . . . 51 VAL CG1 . 51356 1 556 . 1 . 1 51 51 VAL CG2 C 13 20.986 0.3 . 1 . . . . . 51 VAL CG2 . 51356 1 557 . 1 . 1 51 51 VAL N N 15 122.385 0.3 . 1 . . . . . 51 VAL N . 51356 1 558 . 1 . 1 52 52 GLY H H 1 9.008 0.020 . 1 . . . . . 52 GLY H . 51356 1 559 . 1 . 1 52 52 GLY HA2 H 1 3.896 0.020 . 2 . . . . . 52 GLY HA2 . 51356 1 560 . 1 . 1 52 52 GLY HA3 H 1 4.740 0.020 . 2 . . . . . 52 GLY HA3 . 51356 1 561 . 1 . 1 52 52 GLY C C 13 172.777 0.3 . 1 . . . . . 52 GLY C . 51356 1 562 . 1 . 1 52 52 GLY CA C 13 43.077 0.3 . 1 . . . . . 52 GLY CA . 51356 1 563 . 1 . 1 52 52 GLY N N 15 117.880 0.3 . 1 . . . . . 52 GLY N . 51356 1 564 . 1 . 1 53 53 ASP H H 1 8.598 0.020 . 1 . . . . . 53 ASP H . 51356 1 565 . 1 . 1 53 53 ASP HA H 1 4.806 0.020 . 1 . . . . . 53 ASP HA . 51356 1 566 . 1 . 1 53 53 ASP HB2 H 1 2.578 0.020 . 2 . . . . . 53 ASP HB2 . 51356 1 567 . 1 . 1 53 53 ASP HB3 H 1 3.023 0.020 . 2 . . . . . 53 ASP HB3 . 51356 1 568 . 1 . 1 53 53 ASP C C 13 176.392 0.3 . 1 . . . . . 53 ASP C . 51356 1 569 . 1 . 1 53 53 ASP CA C 13 54.657 0.3 . 1 . . . . . 53 ASP CA . 51356 1 570 . 1 . 1 53 53 ASP CB C 13 41.849 0.3 . 1 . . . . . 53 ASP CB . 51356 1 571 . 1 . 1 53 53 ASP N N 15 118.559 0.3 . 1 . . . . . 53 ASP N . 51356 1 572 . 1 . 1 54 54 VAL H H 1 8.474 0.020 . 1 . . . . . 54 VAL H . 51356 1 573 . 1 . 1 54 54 VAL HA H 1 3.688 0.020 . 1 . . . . . 54 VAL HA . 51356 1 574 . 1 . 1 54 54 VAL HB H 1 2.480 0.020 . 1 . . . . . 54 VAL HB . 51356 1 575 . 1 . 1 54 54 VAL HG11 H 1 1.236 0.020 . 2 . . . . . 54 VAL HG1 . 51356 1 576 . 1 . 1 54 54 VAL HG12 H 1 1.236 0.020 . 2 . . . . . 54 VAL HG1 . 51356 1 577 . 1 . 1 54 54 VAL HG13 H 1 1.236 0.020 . 2 . . . . . 54 VAL HG1 . 51356 1 578 . 1 . 1 54 54 VAL HG21 H 1 1.315 0.020 . 2 . . . . . 54 VAL HG2 . 51356 1 579 . 1 . 1 54 54 VAL HG22 H 1 1.315 0.020 . 2 . . . . . 54 VAL HG2 . 51356 1 580 . 1 . 1 54 54 VAL HG23 H 1 1.315 0.020 . 2 . . . . . 54 VAL HG2 . 51356 1 581 . 1 . 1 54 54 VAL C C 13 174.520 0.3 . 1 . . . . . 54 VAL C . 51356 1 582 . 1 . 1 54 54 VAL CA C 13 62.973 0.3 . 1 . . . . . 54 VAL CA . 51356 1 583 . 1 . 1 54 54 VAL CB C 13 32.771 0.3 . 1 . . . . . 54 VAL CB . 51356 1 584 . 1 . 1 54 54 VAL CG1 C 13 20.722 0.3 . 2 . . . . . 54 VAL CG1 . 51356 1 585 . 1 . 1 54 54 VAL CG2 C 13 21.768 0.3 . 2 . . . . . 54 VAL CG2 . 51356 1 586 . 1 . 1 54 54 VAL N N 15 116.331 0.3 . 1 . . . . . 54 VAL N . 51356 1 587 . 1 . 1 55 55 THR H H 1 7.344 0.020 . 1 . . . . . 55 THR H . 51356 1 588 . 1 . 1 55 55 THR HA H 1 5.584 0.020 . 1 . . . . . 55 THR HA . 51356 1 589 . 1 . 1 55 55 THR HB H 1 4.030 0.020 . 1 . . . . . 55 THR HB . 51356 1 590 . 1 . 1 55 55 THR HG21 H 1 1.214 0.020 . 1 . . . . . 55 THR HG2 . 51356 1 591 . 1 . 1 55 55 THR HG22 H 1 1.214 0.020 . 1 . . . . . 55 THR HG2 . 51356 1 592 . 1 . 1 55 55 THR HG23 H 1 1.214 0.020 . 1 . . . . . 55 THR HG2 . 51356 1 593 . 1 . 1 55 55 THR C C 13 173.294 0.3 . 1 . . . . . 55 THR C . 51356 1 594 . 1 . 1 55 55 THR CA C 13 59.604 0.3 . 1 . . . . . 55 THR CA . 51356 1 595 . 1 . 1 55 55 THR CB C 13 72.454 0.3 . 1 . . . . . 55 THR CB . 51356 1 596 . 1 . 1 55 55 THR CG2 C 13 21.896 0.3 . 1 . . . . . 55 THR CG2 . 51356 1 597 . 1 . 1 55 55 THR N N 15 109.546 0.3 . 1 . . . . . 55 THR N . 51356 1 598 . 1 . 1 56 56 GLU H H 1 8.412 0.020 . 1 . . . . . 56 GLU H . 51356 1 599 . 1 . 1 56 56 GLU HA H 1 4.530 0.020 . 1 . . . . . 56 GLU HA . 51356 1 600 . 1 . 1 56 56 GLU HB2 H 1 1.297 0.020 . 2 . . . . . 56 GLU HB2 . 51356 1 601 . 1 . 1 56 56 GLU HB3 H 1 1.525 0.020 . 2 . . . . . 56 GLU HB3 . 51356 1 602 . 1 . 1 56 56 GLU HG2 H 1 1.856 0.020 . 2 . . . . . 56 GLU HG2 . 51356 1 603 . 1 . 1 56 56 GLU HG3 H 1 1.918 0.020 . 2 . . . . . 56 GLU HG3 . 51356 1 604 . 1 . 1 56 56 GLU C C 13 173.888 0.3 . 1 . . . . . 56 GLU C . 51356 1 605 . 1 . 1 56 56 GLU CA C 13 54.892 0.3 . 1 . . . . . 56 GLU CA . 51356 1 606 . 1 . 1 56 56 GLU CB C 13 34.252 0.3 . 1 . . . . . 56 GLU CB . 51356 1 607 . 1 . 1 56 56 GLU CG C 13 36.189 0.3 . 1 . . . . . 56 GLU CG . 51356 1 608 . 1 . 1 56 56 GLU N N 15 121.821 0.3 . 1 . . . . . 56 GLU N . 51356 1 609 . 1 . 1 57 57 ASN H H 1 8.499 0.020 . 1 . . . . . 57 ASN H . 51356 1 610 . 1 . 1 57 57 ASN HA H 1 6.040 0.020 . 1 . . . . . 57 ASN HA . 51356 1 611 . 1 . 1 57 57 ASN HB2 H 1 2.543 0.020 . 2 . . . . . 57 ASN HB2 . 51356 1 612 . 1 . 1 57 57 ASN HB3 H 1 2.608 0.020 . 2 . . . . . 57 ASN HB3 . 51356 1 613 . 1 . 1 57 57 ASN HD21 H 1 7.268 0.020 . 1 . . . . . 57 ASN HD21 . 51356 1 614 . 1 . 1 57 57 ASN HD22 H 1 6.670 0.020 . 1 . . . . . 57 ASN HD22 . 51356 1 615 . 1 . 1 57 57 ASN C C 13 174.846 0.3 . 1 . . . . . 57 ASN C . 51356 1 616 . 1 . 1 57 57 ASN CA C 13 51.832 0.3 . 1 . . . . . 57 ASN CA . 51356 1 617 . 1 . 1 57 57 ASN CB C 13 42.840 0.3 . 1 . . . . . 57 ASN CB . 51356 1 618 . 1 . 1 57 57 ASN N N 15 117.813 0.3 . 1 . . . . . 57 ASN N . 51356 1 619 . 1 . 1 57 57 ASN ND2 N 15 111.694 0.3 . 1 . . . . . 57 ASN ND2 . 51356 1 620 . 1 . 1 58 58 GLN H H 1 8.769 0.020 . 1 . . . . . 58 GLN H . 51356 1 621 . 1 . 1 58 58 GLN HA H 1 4.635 0.020 . 1 . . . . . 58 GLN HA . 51356 1 622 . 1 . 1 58 58 GLN HB2 H 1 1.361 0.020 . 2 . . . . . 58 GLN HB2 . 51356 1 623 . 1 . 1 58 58 GLN HB3 H 1 1.539 0.020 . 2 . . . . . 58 GLN HB3 . 51356 1 624 . 1 . 1 58 58 GLN HG2 H 1 0.995 0.020 . 2 . . . . . 58 GLN HG2 . 51356 1 625 . 1 . 1 58 58 GLN HG3 H 1 1.466 0.020 . 2 . . . . . 58 GLN HG3 . 51356 1 626 . 1 . 1 58 58 GLN HE21 H 1 6.206 0.020 . 1 . . . . . 58 GLN HE21 . 51356 1 627 . 1 . 1 58 58 GLN HE22 H 1 5.444 0.020 . 1 . . . . . 58 GLN HE22 . 51356 1 628 . 1 . 1 58 58 GLN C C 13 173.659 0.3 . 1 . . . . . 58 GLN C . 51356 1 629 . 1 . 1 58 58 GLN CA C 13 54.132 0.3 . 1 . . . . . 58 GLN CA . 51356 1 630 . 1 . 1 58 58 GLN CB C 13 31.380 0.3 . 1 . . . . . 58 GLN CB . 51356 1 631 . 1 . 1 58 58 GLN CG C 13 30.904 0.3 . 1 . . . . . 58 GLN CG . 51356 1 632 . 1 . 1 58 58 GLN N N 15 117.874 0.3 . 1 . . . . . 58 GLN N . 51356 1 633 . 1 . 1 58 58 GLN NE2 N 15 107.906 0.3 . 1 . . . . . 58 GLN NE2 . 51356 1 634 . 1 . 1 59 59 ILE H H 1 8.078 0.020 . 1 . . . . . 59 ILE H . 51356 1 635 . 1 . 1 59 59 ILE HA H 1 4.676 0.020 . 1 . . . . . 59 ILE HA . 51356 1 636 . 1 . 1 59 59 ILE HB H 1 1.635 0.020 . 1 . . . . . 59 ILE HB . 51356 1 637 . 1 . 1 59 59 ILE HG12 H 1 1.167 0.020 . 2 . . . . . 59 ILE HG12 . 51356 1 638 . 1 . 1 59 59 ILE HG13 H 1 1.561 0.020 . 2 . . . . . 59 ILE HG13 . 51356 1 639 . 1 . 1 59 59 ILE HG21 H 1 0.865 0.020 . 1 . . . . . 59 ILE HG2 . 51356 1 640 . 1 . 1 59 59 ILE HG22 H 1 0.865 0.020 . 1 . . . . . 59 ILE HG2 . 51356 1 641 . 1 . 1 59 59 ILE HG23 H 1 0.865 0.020 . 1 . . . . . 59 ILE HG2 . 51356 1 642 . 1 . 1 59 59 ILE HD11 H 1 0.812 0.020 . 1 . . . . . 59 ILE HD1 . 51356 1 643 . 1 . 1 59 59 ILE HD12 H 1 0.812 0.020 . 1 . . . . . 59 ILE HD1 . 51356 1 644 . 1 . 1 59 59 ILE HD13 H 1 0.812 0.020 . 1 . . . . . 59 ILE HD1 . 51356 1 645 . 1 . 1 59 59 ILE C C 13 175.076 0.3 . 1 . . . . . 59 ILE C . 51356 1 646 . 1 . 1 59 59 ILE CA C 13 60.520 0.3 . 1 . . . . . 59 ILE CA . 51356 1 647 . 1 . 1 59 59 ILE CB C 13 37.774 0.3 . 1 . . . . . 59 ILE CB . 51356 1 648 . 1 . 1 59 59 ILE CG1 C 13 28.040 0.3 . 1 . . . . . 59 ILE CG1 . 51356 1 649 . 1 . 1 59 59 ILE CG2 C 13 17.469 0.3 . 1 . . . . . 59 ILE CG2 . 51356 1 650 . 1 . 1 59 59 ILE CD1 C 13 12.730 0.3 . 1 . . . . . 59 ILE CD1 . 51356 1 651 . 1 . 1 59 59 ILE N N 15 122.153 0.3 . 1 . . . . . 59 ILE N . 51356 1 652 . 1 . 1 60 60 CYS H H 1 7.922 0.020 . 1 . . . . . 60 CYS H . 51356 1 653 . 1 . 1 60 60 CYS HA H 1 4.743 0.020 . 1 . . . . . 60 CYS HA . 51356 1 654 . 1 . 1 60 60 CYS HB2 H 1 2.889 0.020 . 1 . . . . . 60 CYS HB2 . 51356 1 655 . 1 . 1 60 60 CYS HB3 H 1 2.889 0.020 . 1 . . . . . 60 CYS HB3 . 51356 1 656 . 1 . 1 60 60 CYS C C 13 171.762 0.3 . 1 . . . . . 60 CYS C . 51356 1 657 . 1 . 1 60 60 CYS CA C 13 52.500 0.3 . 1 . . . . . 60 CYS CA . 51356 1 658 . 1 . 1 60 60 CYS CB C 13 46.109 0.3 . 1 . . . . . 60 CYS CB . 51356 1 659 . 1 . 1 60 60 CYS N N 15 120.502 0.3 . 1 . . . . . 60 CYS N . 51356 1 660 . 1 . 1 61 61 ASN H H 1 8.970 0.020 . 1 . . . . . 61 ASN H . 51356 1 661 . 1 . 1 61 61 ASN HA H 1 4.622 0.020 . 1 . . . . . 61 ASN HA . 51356 1 662 . 1 . 1 61 61 ASN HB2 H 1 2.263 0.020 . 2 . . . . . 61 ASN HB2 . 51356 1 663 . 1 . 1 61 61 ASN HB3 H 1 2.812 0.020 . 2 . . . . . 61 ASN HB3 . 51356 1 664 . 1 . 1 61 61 ASN HD21 H 1 7.891 0.020 . 1 . . . . . 61 ASN HD21 . 51356 1 665 . 1 . 1 61 61 ASN HD22 H 1 7.179 0.020 . 1 . . . . . 61 ASN HD22 . 51356 1 666 . 1 . 1 61 61 ASN C C 13 174.654 0.3 . 1 . . . . . 61 ASN C . 51356 1 667 . 1 . 1 61 61 ASN CA C 13 53.550 0.3 . 1 . . . . . 61 ASN CA . 51356 1 668 . 1 . 1 61 61 ASN CB C 13 35.499 0.3 . 1 . . . . . 61 ASN CB . 51356 1 669 . 1 . 1 61 61 ASN N N 15 117.497 0.3 . 1 . . . . . 61 ASN N . 51356 1 670 . 1 . 1 61 61 ASN ND2 N 15 113.821 0.3 . 1 . . . . . 61 ASN ND2 . 51356 1 671 . 1 . 1 62 62 LYS H H 1 8.281 0.020 . 1 . . . . . 62 LYS H . 51356 1 672 . 1 . 1 62 62 LYS HA H 1 3.562 0.020 . 1 . . . . . 62 LYS HA . 51356 1 673 . 1 . 1 62 62 LYS HB2 H 1 1.616 0.020 . 2 . . . . . 62 LYS HB2 . 51356 1 674 . 1 . 1 62 62 LYS HB3 H 1 1.650 0.020 . 2 . . . . . 62 LYS HB3 . 51356 1 675 . 1 . 1 62 62 LYS HG2 H 1 1.211 0.020 . 2 . . . . . 62 LYS HG2 . 51356 1 676 . 1 . 1 62 62 LYS HG3 H 1 1.342 0.020 . 2 . . . . . 62 LYS HG3 . 51356 1 677 . 1 . 1 62 62 LYS HD2 H 1 1.555 0.020 . 1 . . . . . 62 LYS HD2 . 51356 1 678 . 1 . 1 62 62 LYS HD3 H 1 1.555 0.020 . 1 . . . . . 62 LYS HD3 . 51356 1 679 . 1 . 1 62 62 LYS HE2 H 1 2.867 0.020 . 1 . . . . . 62 LYS HE2 . 51356 1 680 . 1 . 1 62 62 LYS HE3 H 1 2.867 0.020 . 1 . . . . . 62 LYS HE3 . 51356 1 681 . 1 . 1 62 62 LYS C C 13 176.531 0.3 . 1 . . . . . 62 LYS C . 51356 1 682 . 1 . 1 62 62 LYS CA C 13 56.963 0.3 . 1 . . . . . 62 LYS CA . 51356 1 683 . 1 . 1 62 62 LYS CB C 13 33.071 0.3 . 1 . . . . . 62 LYS CB . 51356 1 684 . 1 . 1 62 62 LYS CG C 13 24.999 0.3 . 1 . . . . . 62 LYS CG . 51356 1 685 . 1 . 1 62 62 LYS CD C 13 29.169 0.3 . 1 . . . . . 62 LYS CD . 51356 1 686 . 1 . 1 62 62 LYS CE C 13 41.700 0.3 . 1 . . . . . 62 LYS CE . 51356 1 687 . 1 . 1 62 62 LYS N N 15 115.224 0.3 . 1 . . . . . 62 LYS N . 51356 1 688 . 1 . 1 63 63 GLN H H 1 8.726 0.020 . 1 . . . . . 63 GLN H . 51356 1 689 . 1 . 1 63 63 GLN HA H 1 4.166 0.020 . 1 . . . . . 63 GLN HA . 51356 1 690 . 1 . 1 63 63 GLN HB2 H 1 2.047 0.020 . 2 . . . . . 63 GLN HB2 . 51356 1 691 . 1 . 1 63 63 GLN HB3 H 1 2.151 0.020 . 2 . . . . . 63 GLN HB3 . 51356 1 692 . 1 . 1 63 63 GLN HG2 H 1 2.367 0.020 . 2 . . . . . 63 GLN HG2 . 51356 1 693 . 1 . 1 63 63 GLN HG3 H 1 2.519 0.020 . 2 . . . . . 63 GLN HG3 . 51356 1 694 . 1 . 1 63 63 GLN HE21 H 1 7.624 0.020 . 1 . . . . . 63 GLN HE21 . 51356 1 695 . 1 . 1 63 63 GLN HE22 H 1 6.559 0.020 . 1 . . . . . 63 GLN HE22 . 51356 1 696 . 1 . 1 63 63 GLN C C 13 174.704 0.3 . 1 . . . . . 63 GLN C . 51356 1 697 . 1 . 1 63 63 GLN CA C 13 55.619 0.3 . 1 . . . . . 63 GLN CA . 51356 1 698 . 1 . 1 63 63 GLN CB C 13 26.949 0.3 . 1 . . . . . 63 GLN CB . 51356 1 699 . 1 . 1 63 63 GLN CG C 13 32.130 0.3 . 1 . . . . . 63 GLN CG . 51356 1 700 . 1 . 1 63 63 GLN N N 15 121.114 0.3 . 1 . . . . . 63 GLN N . 51356 1 701 . 1 . 1 63 63 GLN NE2 N 15 110.526 0.3 . 1 . . . . . 63 GLN NE2 . 51356 1 702 . 1 . 1 64 64 ASP H H 1 8.460 0.020 . 1 . . . . . 64 ASP H . 51356 1 703 . 1 . 1 64 64 ASP HA H 1 4.394 0.020 . 1 . . . . . 64 ASP HA . 51356 1 704 . 1 . 1 64 64 ASP HB2 H 1 2.433 0.020 . 2 . . . . . 64 ASP HB2 . 51356 1 705 . 1 . 1 64 64 ASP HB3 H 1 2.655 0.020 . 2 . . . . . 64 ASP HB3 . 51356 1 706 . 1 . 1 64 64 ASP C C 13 177.418 0.3 . 1 . . . . . 64 ASP C . 51356 1 707 . 1 . 1 64 64 ASP CA C 13 54.937 0.3 . 1 . . . . . 64 ASP CA . 51356 1 708 . 1 . 1 64 64 ASP CB C 13 40.560 0.3 . 1 . . . . . 64 ASP CB . 51356 1 709 . 1 . 1 64 64 ASP N N 15 121.691 0.3 . 1 . . . . . 64 ASP N . 51356 1 710 . 1 . 1 65 65 CYS H H 1 9.026 0.020 . 1 . . . . . 65 CYS H . 51356 1 711 . 1 . 1 65 65 CYS HA H 1 4.768 0.020 . 1 . . . . . 65 CYS HA . 51356 1 712 . 1 . 1 65 65 CYS HB2 H 1 2.649 0.020 . 2 . . . . . 65 CYS HB2 . 51356 1 713 . 1 . 1 65 65 CYS HB3 H 1 3.287 0.020 . 2 . . . . . 65 CYS HB3 . 51356 1 714 . 1 . 1 65 65 CYS C C 13 173.045 0.3 . 1 . . . . . 65 CYS C . 51356 1 715 . 1 . 1 65 65 CYS CA C 13 52.599 0.3 . 1 . . . . . 65 CYS CA . 51356 1 716 . 1 . 1 65 65 CYS CB C 13 39.950 0.3 . 1 . . . . . 65 CYS CB . 51356 1 717 . 1 . 1 65 65 CYS N N 15 120.484 0.3 . 1 . . . . . 65 CYS N . 51356 1 718 . 1 . 1 66 66 PRO HA H 1 4.414 0.020 . 1 . . . . . 66 PRO HA . 51356 1 719 . 1 . 1 66 66 PRO HB2 H 1 1.788 0.020 . 2 . . . . . 66 PRO HB2 . 51356 1 720 . 1 . 1 66 66 PRO HB3 H 1 2.283 0.020 . 2 . . . . . 66 PRO HB3 . 51356 1 721 . 1 . 1 66 66 PRO HG2 H 1 2.030 0.020 . 1 . . . . . 66 PRO HG2 . 51356 1 722 . 1 . 1 66 66 PRO HG3 H 1 2.030 0.020 . 1 . . . . . 66 PRO HG3 . 51356 1 723 . 1 . 1 66 66 PRO HD2 H 1 3.676 0.020 . 2 . . . . . 66 PRO HD2 . 51356 1 724 . 1 . 1 66 66 PRO HD3 H 1 3.959 0.020 . 2 . . . . . 66 PRO HD3 . 51356 1 725 . 1 . 1 66 66 PRO C C 13 176.238 0.3 . 1 . . . . . 66 PRO C . 51356 1 726 . 1 . 1 66 66 PRO CA C 13 63.022 0.3 . 1 . . . . . 66 PRO CA . 51356 1 727 . 1 . 1 66 66 PRO CB C 13 32.021 0.3 . 1 . . . . . 66 PRO CB . 51356 1 728 . 1 . 1 66 66 PRO CG C 13 27.294 0.3 . 1 . . . . . 66 PRO CG . 51356 1 729 . 1 . 1 66 66 PRO CD C 13 50.455 0.3 . 1 . . . . . 66 PRO CD . 51356 1 730 . 1 . 1 67 67 ILE H H 1 8.304 0.020 . 1 . . . . . 67 ILE H . 51356 1 731 . 1 . 1 67 67 ILE HA H 1 4.047 0.020 . 1 . . . . . 67 ILE HA . 51356 1 732 . 1 . 1 67 67 ILE HB H 1 1.776 0.020 . 1 . . . . . 67 ILE HB . 51356 1 733 . 1 . 1 67 67 ILE HG12 H 1 1.140 0.020 . 2 . . . . . 67 ILE HG12 . 51356 1 734 . 1 . 1 67 67 ILE HG13 H 1 1.472 0.020 . 2 . . . . . 67 ILE HG13 . 51356 1 735 . 1 . 1 67 67 ILE HG21 H 1 0.834 0.020 . 1 . . . . . 67 ILE HG2 . 51356 1 736 . 1 . 1 67 67 ILE HG22 H 1 0.834 0.020 . 1 . . . . . 67 ILE HG2 . 51356 1 737 . 1 . 1 67 67 ILE HG23 H 1 0.834 0.020 . 1 . . . . . 67 ILE HG2 . 51356 1 738 . 1 . 1 67 67 ILE HD11 H 1 0.824 0.020 . 1 . . . . . 67 ILE HD1 . 51356 1 739 . 1 . 1 67 67 ILE HD12 H 1 0.824 0.020 . 1 . . . . . 67 ILE HD1 . 51356 1 740 . 1 . 1 67 67 ILE HD13 H 1 0.824 0.020 . 1 . . . . . 67 ILE HD1 . 51356 1 741 . 1 . 1 67 67 ILE C C 13 176.167 0.3 . 1 . . . . . 67 ILE C . 51356 1 742 . 1 . 1 67 67 ILE CA C 13 61.064 0.3 . 1 . . . . . 67 ILE CA . 51356 1 743 . 1 . 1 67 67 ILE CB C 13 38.450 0.3 . 1 . . . . . 67 ILE CB . 51356 1 744 . 1 . 1 67 67 ILE CG1 C 13 27.262 0.3 . 1 . . . . . 67 ILE CG1 . 51356 1 745 . 1 . 1 67 67 ILE CG2 C 13 17.458 0.3 . 1 . . . . . 67 ILE CG2 . 51356 1 746 . 1 . 1 67 67 ILE CD1 C 13 12.733 0.3 . 1 . . . . . 67 ILE CD1 . 51356 1 747 . 1 . 1 67 67 ILE N N 15 122.246 0.3 . 1 . . . . . 67 ILE N . 51356 1 748 . 1 . 1 68 68 LEU H H 1 8.323 0.020 . 1 . . . . . 68 LEU H . 51356 1 749 . 1 . 1 68 68 LEU HA H 1 4.335 0.020 . 1 . . . . . 68 LEU HA . 51356 1 750 . 1 . 1 68 68 LEU HB2 H 1 1.455 0.020 . 2 . . . . . 68 LEU HB2 . 51356 1 751 . 1 . 1 68 68 LEU HB3 H 1 1.531 0.020 . 2 . . . . . 68 LEU HB3 . 51356 1 752 . 1 . 1 68 68 LEU HG H 1 1.526 0.020 . 1 . . . . . 68 LEU HG . 51356 1 753 . 1 . 1 68 68 LEU HD11 H 1 0.804 0.020 . 2 . . . . . 68 LEU HD1 . 51356 1 754 . 1 . 1 68 68 LEU HD12 H 1 0.804 0.020 . 2 . . . . . 68 LEU HD1 . 51356 1 755 . 1 . 1 68 68 LEU HD13 H 1 0.804 0.020 . 2 . . . . . 68 LEU HD1 . 51356 1 756 . 1 . 1 68 68 LEU HD21 H 1 0.868 0.020 . 2 . . . . . 68 LEU HD2 . 51356 1 757 . 1 . 1 68 68 LEU HD22 H 1 0.868 0.020 . 2 . . . . . 68 LEU HD2 . 51356 1 758 . 1 . 1 68 68 LEU HD23 H 1 0.868 0.020 . 2 . . . . . 68 LEU HD2 . 51356 1 759 . 1 . 1 68 68 LEU C C 13 176.915 0.3 . 1 . . . . . 68 LEU C . 51356 1 760 . 1 . 1 68 68 LEU CA C 13 54.771 0.3 . 1 . . . . . 68 LEU CA . 51356 1 761 . 1 . 1 68 68 LEU CB C 13 42.286 0.3 . 1 . . . . . 68 LEU CB . 51356 1 762 . 1 . 1 68 68 LEU CG C 13 26.919 0.3 . 1 . . . . . 68 LEU CG . 51356 1 763 . 1 . 1 68 68 LEU CD1 C 13 23.367 0.3 . 2 . . . . . 68 LEU CD1 . 51356 1 764 . 1 . 1 68 68 LEU CD2 C 13 24.788 0.3 . 2 . . . . . 68 LEU CD2 . 51356 1 765 . 1 . 1 68 68 LEU N N 15 126.907 0.3 . 1 . . . . . 68 LEU N . 51356 1 766 . 1 . 1 69 69 GLU H H 1 8.281 0.020 . 1 . . . . . 69 GLU H . 51356 1 767 . 1 . 1 69 69 GLU HA H 1 4.180 0.020 . 1 . . . . . 69 GLU HA . 51356 1 768 . 1 . 1 69 69 GLU HB2 H 1 1.822 0.020 . 2 . . . . . 69 GLU HB2 . 51356 1 769 . 1 . 1 69 69 GLU HB3 H 1 1.876 0.020 . 2 . . . . . 69 GLU HB3 . 51356 1 770 . 1 . 1 69 69 GLU HG2 H 1 2.110 0.020 . 2 . . . . . 69 GLU HG2 . 51356 1 771 . 1 . 1 69 69 GLU HG3 H 1 2.167 0.020 . 2 . . . . . 69 GLU HG3 . 51356 1 772 . 1 . 1 69 69 GLU CA C 13 56.357 0.3 . 1 . . . . . 69 GLU CA . 51356 1 773 . 1 . 1 69 69 GLU CB C 13 30.422 0.3 . 1 . . . . . 69 GLU CB . 51356 1 774 . 1 . 1 69 69 GLU CG C 13 36.132 0.3 . 1 . . . . . 69 GLU CG . 51356 1 775 . 1 . 1 69 69 GLU N N 15 121.820 0.3 . 1 . . . . . 69 GLU N . 51356 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51356 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name fucose _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-13C CT-HSQC aliphatic' . . . 51356 2 9 '3D (H)CCH-COSY aliphatic' . . . 51356 2 10 '3D (H)CCH-TOCSY aliphatic' . . . 51356 2 12 '3D 1H-15N,13C NOESY' . . . 51356 2 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 5 $software_5 . . 51356 2 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 . 2 . 2 1 1 FUC H1 H 1 5.015 0.020 . . . . . . . 74 FUC H1 . 51356 2 2 . 2 . 2 1 1 FUC H2 H 1 3.809 0.020 . . . . . . . 74 FUC H2 . 51356 2 3 . 2 . 2 1 1 FUC H3 H 1 3.912 0.020 . . . . . . . 74 FUC H3 . 51356 2 4 . 2 . 2 1 1 FUC H4 H 1 3.728 0.020 . . . . . . . 74 FUC H4 . 51356 2 5 . 2 . 2 1 1 FUC H5 H 1 3.520 0.020 . . . . . . . 74 FUC H5 . 51356 2 6 . 2 . 2 1 1 FUC H6 H 1 1.131 0.020 . . . . . . . 74 FUC H6 . 51356 2 7 . 2 . 2 1 1 FUC C1 C 13 96.353 0.200 . . . . . . . 74 FUC C1 . 51356 2 8 . 2 . 2 1 1 FUC C2 C 13 70.354 0.200 . . . . . . . 74 FUC C2 . 51356 2 9 . 2 . 2 1 1 FUC C3 C 13 72.177 0.200 . . . . . . . 74 FUC C3 . 51356 2 10 . 2 . 2 1 1 FUC C4 C 13 74.839 0.200 . . . . . . . 74 FUC C4 . 51356 2 11 . 2 . 2 1 1 FUC C5 C 13 69.291 0.200 . . . . . . . 74 FUC C5 . 51356 2 12 . 2 . 2 1 1 FUC C6 C 13 17.774 0.200 . . . . . . . 74 FUC C6 . 51356 2 stop_ save_