################################### # 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 34232 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 '3D HNCACB' . . . 34232 1 2 '3D CBCA(CO)NH' . . . 34232 1 3 '3D HNCA' . . . 34232 1 4 '3D HNCO' . . . 34232 1 5 '3D HCCH-TOCSY' . . . 34232 1 6 '3D 1H-15N TOCSY' . . . 34232 1 7 '3D HCC(CO)NH-TOCSY' . . . 34232 1 8 '3D CCH-TOCSY' . . . 34232 1 9 '2D 1H-1H NOESY (double filter)' . . . 34232 1 10 '3D 1H-15N NOESY' . . . 34232 1 11 '3D 1H-13C NOESY (edited/filtered)' . . . 34232 1 12 '2D 1H-1H TOCSY (double filter)' . . . 34232 1 13 '3D 1H-13C NOESY aliphatic' . . . 34232 1 14 '3D 1H-13C NOESY aromatic' . . . 34232 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 HB2 H 1 2.763 0.020 . 2 . . . . A 2 ASP HB2 . 34232 1 2 . 1 1 2 2 ASP HB3 H 1 2.683 0.020 . 2 . . . . A 2 ASP HB3 . 34232 1 3 . 1 1 3 3 TYR HB2 H 1 2.933 0.020 . 2 . . . . A 3 TYR HB2 . 34232 1 4 . 1 1 3 3 TYR HB3 H 1 3.061 0.020 . 2 . . . . A 3 TYR HB3 . 34232 1 5 . 1 1 3 3 TYR HD1 H 1 7.124 0.020 . 1 . . . . A 3 TYR HD1 . 34232 1 6 . 1 1 3 3 TYR HD2 H 1 7.124 0.020 . 1 . . . . A 3 TYR HD2 . 34232 1 7 . 1 1 3 3 TYR HE1 H 1 6.826 0.020 . 1 . . . . A 3 TYR HE1 . 34232 1 8 . 1 1 3 3 TYR HE2 H 1 6.826 0.020 . 1 . . . . A 3 TYR HE2 . 34232 1 9 . 1 1 4 4 GLN HB2 H 1 2.058 0.020 . 2 . . . . A 4 GLN HB2 . 34232 1 10 . 1 1 4 4 GLN HB3 H 1 1.953 0.020 . 2 . . . . A 4 GLN HB3 . 34232 1 11 . 1 1 4 4 GLN HG2 H 1 2.287 0.020 . 2 . . . . A 4 GLN HG2 . 34232 1 12 . 1 1 4 4 GLN HG3 H 1 2.283 0.020 . 2 . . . . A 4 GLN HG3 . 34232 1 13 . 1 1 4 4 GLN HE21 H 1 7.536 0.020 . 1 . . . . A 4 GLN HE21 . 34232 1 14 . 1 1 4 4 GLN HE22 H 1 7.536 0.020 . 1 . . . . A 4 GLN HE22 . 34232 1 15 . 1 1 5 5 VAL HB H 1 2.103 0.020 . 1 . . . . A 5 VAL HB . 34232 1 16 . 1 1 5 5 VAL HG11 H 1 0.950 0.020 . 1 . . . . A 5 VAL HG11 . 34232 1 17 . 1 1 5 5 VAL HG12 H 1 0.950 0.020 . 1 . . . . A 5 VAL HG12 . 34232 1 18 . 1 1 5 5 VAL HG13 H 1 0.950 0.020 . 1 . . . . A 5 VAL HG13 . 34232 1 19 . 1 1 5 5 VAL HG21 H 1 0.952 0.020 . 1 . . . . A 5 VAL HG21 . 34232 1 20 . 1 1 5 5 VAL HG22 H 1 0.952 0.020 . 1 . . . . A 5 VAL HG22 . 34232 1 21 . 1 1 5 5 VAL HG23 H 1 0.952 0.020 . 1 . . . . A 5 VAL HG23 . 34232 1 22 . 1 1 6 6 SER HB2 H 1 3.843 0.020 . 2 . . . . A 6 SER HB2 . 34232 1 23 . 1 1 6 6 SER HB3 H 1 3.855 0.020 . 2 . . . . A 6 SER HB3 . 34232 1 24 . 1 1 7 7 SER HB2 H 1 3.833 0.020 . 2 . . . . A 7 SER HB2 . 34232 1 25 . 1 1 7 7 SER HB3 H 1 3.842 0.020 . 2 . . . . A 7 SER HB3 . 34232 1 26 . 1 1 8 8 PRO HB2 H 1 1.752 0.020 . 2 . . . . A 8 PRO HB2 . 34232 1 27 . 1 1 8 8 PRO HB3 H 1 2.175 0.020 . 2 . . . . A 8 PRO HB3 . 34232 1 28 . 1 1 8 8 PRO HG2 H 1 1.986 0.020 . 1 . . . . A 8 PRO HG2 . 34232 1 29 . 1 1 8 8 PRO HG3 H 1 1.986 0.020 . 1 . . . . A 8 PRO HG3 . 34232 1 30 . 1 1 8 8 PRO HD2 H 1 3.715 0.020 . 2 . . . . A 8 PRO HD2 . 34232 1 31 . 1 1 8 8 PRO HD3 H 1 3.785 0.020 . 2 . . . . A 8 PRO HD3 . 34232 1 32 . 1 1 9 9 ILE HB H 1 1.699 0.020 . 1 . . . . A 9 ILE HB . 34232 1 33 . 1 1 9 9 ILE HG12 H 1 1.072 0.020 . 2 . . . . A 9 ILE HG12 . 34232 1 34 . 1 1 9 9 ILE HG13 H 1 1.320 0.020 . 2 . . . . A 9 ILE HG13 . 34232 1 35 . 1 1 9 9 ILE HG21 H 1 0.789 0.020 . 1 . . . . A 9 ILE HG21 . 34232 1 36 . 1 1 9 9 ILE HG22 H 1 0.789 0.020 . 1 . . . . A 9 ILE HG22 . 34232 1 37 . 1 1 9 9 ILE HG23 H 1 0.789 0.020 . 1 . . . . A 9 ILE HG23 . 34232 1 38 . 1 1 9 9 ILE HD11 H 1 0.735 0.020 . 1 . . . . A 9 ILE HD11 . 34232 1 39 . 1 1 9 9 ILE HD12 H 1 0.735 0.020 . 1 . . . . A 9 ILE HD12 . 34232 1 40 . 1 1 9 9 ILE HD13 H 1 0.735 0.020 . 1 . . . . A 9 ILE HD13 . 34232 1 41 . 1 1 10 10 TYS HB2 H 1 3.170 0.020 . 2 . . . . A 10 TYS HB2 . 34232 1 42 . 1 1 10 10 TYS HB3 H 1 2.946 0.020 . 2 . . . . A 10 TYS HB3 . 34232 1 43 . 1 1 10 10 TYS HD1 H 1 7.232 0.020 . 3 . . . . A 10 TYS HD1 . 34232 1 44 . 1 1 10 10 TYS HD2 H 1 7.232 0.020 . 3 . . . . A 10 TYS HD2 . 34232 1 45 . 1 1 10 10 TYS HE1 H 1 7.197 0.020 . 1 . . . . A 10 TYS HE1 . 34232 1 46 . 1 1 10 10 TYS HE2 H 1 7.197 0.020 . 1 . . . . A 10 TYS HE2 . 34232 1 47 . 1 1 11 11 ASP HB2 H 1 2.641 0.020 . 2 . . . . A 11 ASP HB2 . 34232 1 48 . 1 1 11 11 ASP HB3 H 1 2.781 0.020 . 2 . . . . A 11 ASP HB3 . 34232 1 49 . 1 1 12 12 ILE HB H 1 1.863 0.020 . 1 . . . . A 12 ILE HB . 34232 1 50 . 1 1 12 12 ILE HG12 H 1 1.191 0.020 . 2 . . . . A 12 ILE HG12 . 34232 1 51 . 1 1 12 12 ILE HG13 H 1 1.430 0.020 . 2 . . . . A 12 ILE HG13 . 34232 1 52 . 1 1 12 12 ILE HG21 H 1 0.896 0.020 . 1 . . . . A 12 ILE HG21 . 34232 1 53 . 1 1 12 12 ILE HG22 H 1 0.896 0.020 . 1 . . . . A 12 ILE HG22 . 34232 1 54 . 1 1 12 12 ILE HG23 H 1 0.896 0.020 . 1 . . . . A 12 ILE HG23 . 34232 1 55 . 1 1 12 12 ILE HD11 H 1 0.834 0.020 . 1 . . . . A 12 ILE HD11 . 34232 1 56 . 1 1 12 12 ILE HD12 H 1 0.834 0.020 . 1 . . . . A 12 ILE HD12 . 34232 1 57 . 1 1 12 12 ILE HD13 H 1 0.834 0.020 . 1 . . . . A 12 ILE HD13 . 34232 1 58 . 1 1 13 13 ASN HB2 H 1 2.673 0.020 . 1 . . . . A 13 ASN HB2 . 34232 1 59 . 1 1 13 13 ASN HB3 H 1 2.673 0.020 . 1 . . . . A 13 ASN HB3 . 34232 1 60 . 1 1 13 13 ASN HD21 H 1 7.601 0.020 . 1 . . . . A 13 ASN HD21 . 34232 1 61 . 1 1 13 13 ASN HD22 H 1 6.858 0.020 . 1 . . . . A 13 ASN HD22 . 34232 1 62 . 1 1 14 14 TYS HB2 H 1 3.006 0.020 . 2 . . . . A 14 TYS HB2 . 34232 1 63 . 1 1 14 14 TYS HB3 H 1 2.959 0.020 . 2 . . . . A 14 TYS HB3 . 34232 1 64 . 1 1 14 14 TYS HD1 H 1 7.064 0.020 . 1 . . . . A 14 TYS HD1 . 34232 1 65 . 1 1 14 14 TYS HD2 H 1 7.064 0.020 . 1 . . . . A 14 TYS HD2 . 34232 1 66 . 1 1 14 14 TYS HE1 H 1 7.170 0.020 . 1 . . . . A 14 TYS HE1 . 34232 1 67 . 1 1 14 14 TYS HE2 H 1 7.170 0.020 . 1 . . . . A 14 TYS HE2 . 34232 1 68 . 1 1 15 15 TYR HB2 H 1 2.952 0.020 . 2 . . . . A 15 TYR HB2 . 34232 1 69 . 1 1 15 15 TYR HB3 H 1 3.106 0.020 . 2 . . . . A 15 TYR HB3 . 34232 1 70 . 1 1 15 15 TYR HD1 H 1 7.153 0.020 . 1 . . . . A 15 TYR HD1 . 34232 1 71 . 1 1 15 15 TYR HD2 H 1 7.153 0.020 . 1 . . . . A 15 TYR HD2 . 34232 1 72 . 1 1 15 15 TYR HE1 H 1 6.844 0.020 . 1 . . . . A 15 TYR HE1 . 34232 1 73 . 1 1 15 15 TYR HE2 H 1 6.844 0.020 . 1 . . . . A 15 TYR HE2 . 34232 1 74 . 1 1 16 16 THR HB H 1 4.234 0.020 . 1 . . . . A 16 THR HB . 34232 1 75 . 1 1 16 16 THR HG21 H 1 1.183 0.020 . 1 . . . . A 16 THR HG21 . 34232 1 76 . 1 1 16 16 THR HG22 H 1 1.183 0.020 . 1 . . . . A 16 THR HG22 . 34232 1 77 . 1 1 16 16 THR HG23 H 1 1.183 0.020 . 1 . . . . A 16 THR HG23 . 34232 1 78 . 1 1 17 17 SER HB2 H 1 3.871 0.020 . 2 . . . . A 17 SER HB2 . 34232 1 79 . 1 1 17 17 SER HB3 H 1 3.876 0.020 . 2 . . . . A 17 SER HB3 . 34232 1 80 . 1 1 18 18 GLU HB2 H 1 1.920 0.020 . 2 . . . . A 18 GLU HB2 . 34232 1 81 . 1 1 18 18 GLU HB3 H 1 2.106 0.020 . 2 . . . . A 18 GLU HB3 . 34232 1 82 . 1 1 18 18 GLU HG2 H 1 2.307 0.020 . 2 . . . . A 18 GLU HG2 . 34232 1 83 . 1 1 18 18 GLU HG3 H 1 2.297 0.020 . 2 . . . . A 18 GLU HG3 . 34232 1 84 . 1 1 19 19 PRO HB2 H 1 1.904 0.020 . 2 . . . . A 19 PRO HB2 . 34232 1 85 . 1 1 19 19 PRO HB3 H 1 2.264 0.020 . 2 . . . . A 19 PRO HB3 . 34232 1 86 . 1 1 19 19 PRO HG2 H 1 2.061 0.020 . 2 . . . . A 19 PRO HG2 . 34232 1 87 . 1 1 19 19 PRO HG3 H 1 2.034 0.020 . 2 . . . . A 19 PRO HG3 . 34232 1 88 . 1 1 19 19 PRO HD2 H 1 3.681 0.020 . 2 . . . . A 19 PRO HD2 . 34232 1 89 . 1 1 19 19 PRO HD3 H 1 3.787 0.020 . 2 . . . . A 19 PRO HD3 . 34232 1 90 . 1 1 20 20 ALA HB1 H 1 1.396 0.020 . 1 . . . . A 20 ALA HB1 . 34232 1 91 . 1 1 20 20 ALA HB2 H 1 1.396 0.020 . 1 . . . . A 20 ALA HB2 . 34232 1 92 . 1 1 20 20 ALA HB3 H 1 1.396 0.020 . 1 . . . . A 20 ALA HB3 . 34232 1 93 . 1 1 21 21 GLN HB2 H 1 1.985 0.020 . 2 . . . . A 21 GLN HB2 . 34232 1 94 . 1 1 21 21 GLN HB3 H 1 2.104 0.020 . 2 . . . . A 21 GLN HB3 . 34232 1 95 . 1 1 21 21 GLN HG2 H 1 2.365 0.020 . 2 . . . . A 21 GLN HG2 . 34232 1 96 . 1 1 21 21 GLN HG3 H 1 2.357 0.020 . 2 . . . . A 21 GLN HG3 . 34232 1 97 . 1 1 21 21 GLN HE21 H 1 7.551 0.020 . 1 . . . . A 21 GLN HE21 . 34232 1 98 . 1 1 21 21 GLN HE22 H 1 7.551 0.020 . 1 . . . . A 21 GLN HE22 . 34232 1 99 . 1 1 22 22 LYS HB2 H 1 1.741 0.020 . 2 . . . . A 22 LYS HB2 . 34232 1 100 . 1 1 22 22 LYS HB3 H 1 1.830 0.020 . 2 . . . . A 22 LYS HB3 . 34232 1 101 . 1 1 22 22 LYS HG2 H 1 1.385 0.020 . 2 . . . . A 22 LYS HG2 . 34232 1 102 . 1 1 22 22 LYS HG3 H 1 1.433 0.020 . 2 . . . . A 22 LYS HG3 . 34232 1 103 . 1 1 22 22 LYS HD2 H 1 1.736 0.020 . 2 . . . . A 22 LYS HD2 . 34232 1 104 . 1 1 22 22 LYS HD3 H 1 1.680 0.020 . 2 . . . . A 22 LYS HD3 . 34232 1 105 . 1 1 22 22 LYS HE2 H 1 2.993 0.020 . 2 . . . . A 22 LYS HE2 . 34232 1 106 . 1 1 22 22 LYS HE3 H 1 2.984 0.020 . 2 . . . . A 22 LYS HE3 . 34232 1 107 . 1 1 23 23 ILE HB H 1 1.853 0.020 . 1 . . . . A 23 ILE HB . 34232 1 108 . 1 1 23 23 ILE HG12 H 1 1.177 0.020 . 2 . . . . A 23 ILE HG12 . 34232 1 109 . 1 1 23 23 ILE HG13 H 1 1.442 0.020 . 2 . . . . A 23 ILE HG13 . 34232 1 110 . 1 1 23 23 ILE HG21 H 1 0.896 0.020 . 1 . . . . A 23 ILE HG21 . 34232 1 111 . 1 1 23 23 ILE HG22 H 1 0.896 0.020 . 1 . . . . A 23 ILE HG22 . 34232 1 112 . 1 1 23 23 ILE HG23 H 1 0.896 0.020 . 1 . . . . A 23 ILE HG23 . 34232 1 113 . 1 1 23 23 ILE HD11 H 1 0.852 0.020 . 1 . . . . A 23 ILE HD11 . 34232 1 114 . 1 1 23 23 ILE HD12 H 1 0.852 0.020 . 1 . . . . A 23 ILE HD12 . 34232 1 115 . 1 1 23 23 ILE HD13 H 1 0.852 0.020 . 1 . . . . A 23 ILE HD13 . 34232 1 116 . 1 1 24 24 ASN HB2 H 1 2.726 0.020 . 2 . . . . A 24 ASN HB2 . 34232 1 117 . 1 1 24 24 ASN HB3 H 1 2.829 0.020 . 2 . . . . A 24 ASN HB3 . 34232 1 118 . 1 1 24 24 ASN HD21 H 1 7.542 0.020 . 1 . . . . A 24 ASN HD21 . 34232 1 119 . 1 1 24 24 ASN HD22 H 1 6.858 0.020 . 1 . . . . A 24 ASN HD22 . 34232 1 120 . 1 1 25 25 VAL HB H 1 2.095 0.020 . 1 . . . . A 25 VAL HB . 34232 1 121 . 1 1 25 25 VAL HG11 H 1 0.924 0.020 . 1 . . . . A 25 VAL HG11 . 34232 1 122 . 1 1 25 25 VAL HG12 H 1 0.924 0.020 . 1 . . . . A 25 VAL HG12 . 34232 1 123 . 1 1 25 25 VAL HG13 H 1 0.924 0.020 . 1 . . . . A 25 VAL HG13 . 34232 1 124 . 1 1 25 25 VAL HG21 H 1 0.922 0.020 . 1 . . . . A 25 VAL HG21 . 34232 1 125 . 1 1 25 25 VAL HG22 H 1 0.922 0.020 . 1 . . . . A 25 VAL HG22 . 34232 1 126 . 1 1 25 25 VAL HG23 H 1 0.922 0.020 . 1 . . . . A 25 VAL HG23 . 34232 1 127 . 1 1 26 26 LYS HB2 H 1 1.760 0.020 . 2 . . . . A 26 LYS HB2 . 34232 1 128 . 1 1 26 26 LYS HB3 H 1 1.862 0.020 . 2 . . . . A 26 LYS HB3 . 34232 1 129 . 1 1 26 26 LYS HG2 H 1 1.463 0.020 . 2 . . . . A 26 LYS HG2 . 34232 1 130 . 1 1 26 26 LYS HG3 H 1 1.467 0.020 . 2 . . . . A 26 LYS HG3 . 34232 1 131 . 1 1 26 26 LYS HD2 H 1 1.691 0.020 . 2 . . . . A 26 LYS HD2 . 34232 1 132 . 1 1 26 26 LYS HD3 H 1 1.700 0.020 . 2 . . . . A 26 LYS HD3 . 34232 1 133 . 1 1 26 26 LYS HE2 H 1 3.000 0.020 . 2 . . . . A 26 LYS HE2 . 34232 1 134 . 1 1 26 26 LYS HE3 H 1 3.008 0.020 . 2 . . . . A 26 LYS HE3 . 34232 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 34232 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 ; Not included in the loop: 1 0 (1) ? GLY C C 169.626 0.3 1 2 0 (1) ? GLY CA C 42.858 0.3 1 3 0 (1) ? GLY HA2 H 3.879 0.020 2 4 0 (1) ? GLY HA3 H 3.890 0.020 2 ; _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 '3D HNCACB' . . . 34232 2 2 '3D CBCA(CO)NH' . . . 34232 2 3 '3D HNCA' . . . 34232 2 4 '3D HNCO' . . . 34232 2 5 '3D HCCH-TOCSY' . . . 34232 2 6 '3D 1H-15N TOCSY' . . . 34232 2 7 '3D HCC(CO)NH-TOCSY' . . . 34232 2 8 '3D CCH-TOCSY' . . . 34232 2 9 '2D 1H-1H NOESY (double filter)' . . . 34232 2 10 '3D 1H-15N NOESY' . . . 34232 2 11 '3D 1H-13C NOESY (edited/filtered)' . . . 34232 2 12 '2D 1H-1H TOCSY (double filter)' . . . 34232 2 13 '3D 1H-13C NOESY aliphatic' . . . 34232 2 14 '3D 1H-13C NOESY aromatic' . . . 34232 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 SER H H 1 8.592 0.020 . 1 . . . . B 1 SER H1 . 34232 2 2 . 2 2 1 1 SER HA H 1 4.842 0.020 . 1 . . . . B 1 SER HA . 34232 2 3 . 2 2 1 1 SER HB2 H 1 3.863 0.020 . 2 . . . . B 1 SER HB2 . 34232 2 4 . 2 2 1 1 SER HB3 H 1 4.700 0.020 . 2 . . . . B 1 SER HB3 . 34232 2 5 . 2 2 1 1 SER CA C 13 56.085 0.3 . 1 . . . . B 1 SER CA . 34232 2 6 . 2 2 1 1 SER CB C 13 63.241 0.3 . 1 . . . . B 1 SER CB . 34232 2 7 . 2 2 1 1 SER N N 15 116.611 0.3 . 1 . . . . B 1 SER N . 34232 2 8 . 2 2 2 2 PRO HA H 1 4.431 0.020 . 1 . . . . B 2 PRO HA . 34232 2 9 . 2 2 2 2 PRO HB2 H 1 1.674 0.020 . 2 . . . . B 2 PRO HB2 . 34232 2 10 . 2 2 2 2 PRO HB3 H 1 2.239 0.020 . 2 . . . . B 2 PRO HB3 . 34232 2 11 . 2 2 2 2 PRO HG2 H 1 1.753 0.020 . 2 . . . . B 2 PRO HG2 . 34232 2 12 . 2 2 2 2 PRO HG3 H 1 1.933 0.020 . 2 . . . . B 2 PRO HG3 . 34232 2 13 . 2 2 2 2 PRO HD2 H 1 3.590 0.020 . 2 . . . . B 2 PRO HD2 . 34232 2 14 . 2 2 2 2 PRO HD3 H 1 3.719 0.020 . 2 . . . . B 2 PRO HD3 . 34232 2 15 . 2 2 2 2 PRO C C 13 176.104 0.3 . 1 . . . . B 2 PRO C . 34232 2 16 . 2 2 2 2 PRO CA C 13 63.343 0.3 . 1 . . . . B 2 PRO CA . 34232 2 17 . 2 2 2 2 PRO CB C 13 31.864 0.3 . 1 . . . . B 2 PRO CB . 34232 2 18 . 2 2 2 2 PRO CG C 13 26.759 0.3 . 1 . . . . B 2 PRO CG . 34232 2 19 . 2 2 2 2 PRO CD C 13 50.522 0.3 . 1 . . . . B 2 PRO CD . 34232 2 20 . 2 2 3 3 TYR H H 1 7.918 0.020 . 1 . . . . B 3 TYR H . 34232 2 21 . 2 2 3 3 TYR HA H 1 4.653 0.020 . 1 . . . . B 3 TYR HA . 34232 2 22 . 2 2 3 3 TYR HB2 H 1 2.873 0.020 . 2 . . . . B 3 TYR HB2 . 34232 2 23 . 2 2 3 3 TYR HB3 H 1 3.088 0.020 . 2 . . . . B 3 TYR HB3 . 34232 2 24 . 2 2 3 3 TYR HD1 H 1 7.115 0.020 . 1 . . . . B 3 TYR HD1 . 34232 2 25 . 2 2 3 3 TYR HD2 H 1 7.115 0.020 . 1 . . . . B 3 TYR HD2 . 34232 2 26 . 2 2 3 3 TYR HE1 H 1 6.828 0.020 . 1 . . . . B 3 TYR HE1 . 34232 2 27 . 2 2 3 3 TYR HE2 H 1 6.828 0.020 . 1 . . . . B 3 TYR HE2 . 34232 2 28 . 2 2 3 3 TYR C C 13 175.565 0.3 . 1 . . . . B 3 TYR C . 34232 2 29 . 2 2 3 3 TYR CA C 13 57.328 0.3 . 1 . . . . B 3 TYR CA . 34232 2 30 . 2 2 3 3 TYR CB C 13 38.649 0.3 . 1 . . . . B 3 TYR CB . 34232 2 31 . 2 2 3 3 TYR CD1 C 13 133.071 0.3 . 1 . . . . B 3 TYR CD1 . 34232 2 32 . 2 2 3 3 TYR CD2 C 13 133.071 0.3 . 1 . . . . B 3 TYR CD2 . 34232 2 33 . 2 2 3 3 TYR CE1 C 13 118.077 0.3 . 1 . . . . B 3 TYR CE1 . 34232 2 34 . 2 2 3 3 TYR CE2 C 13 118.077 0.3 . 1 . . . . B 3 TYR CE2 . 34232 2 35 . 2 2 3 3 TYR N N 15 118.966 0.3 . 1 . . . . B 3 TYR N . 34232 2 36 . 2 2 4 4 SER H H 1 8.000 0.020 . 1 . . . . B 4 SER H . 34232 2 37 . 2 2 4 4 SER HA H 1 4.404 0.020 . 1 . . . . B 4 SER HA . 34232 2 38 . 2 2 4 4 SER HB2 H 1 3.856 0.020 . 2 . . . . B 4 SER HB2 . 34232 2 39 . 2 2 4 4 SER HB3 H 1 3.898 0.020 . 2 . . . . B 4 SER HB3 . 34232 2 40 . 2 2 4 4 SER C C 13 174.238 0.3 . 1 . . . . B 4 SER C . 34232 2 41 . 2 2 4 4 SER CA C 13 58.230 0.3 . 1 . . . . B 4 SER CA . 34232 2 42 . 2 2 4 4 SER CB C 13 64.011 0.3 . 1 . . . . B 4 SER CB . 34232 2 43 . 2 2 4 4 SER N N 15 116.775 0.3 . 1 . . . . B 4 SER N . 34232 2 44 . 2 2 5 5 SER H H 1 8.264 0.020 . 1 . . . . B 5 SER H . 34232 2 45 . 2 2 5 5 SER HA H 1 4.467 0.020 . 1 . . . . B 5 SER HA . 34232 2 46 . 2 2 5 5 SER HB2 H 1 3.855 0.020 . 2 . . . . B 5 SER HB2 . 34232 2 47 . 2 2 5 5 SER HB3 H 1 4.427 0.020 . 2 . . . . B 5 SER HB3 . 34232 2 48 . 2 2 5 5 SER C C 13 174.023 0.3 . 1 . . . . B 5 SER C . 34232 2 49 . 2 2 5 5 SER CA C 13 58.218 0.3 . 1 . . . . B 5 SER CA . 34232 2 50 . 2 2 5 5 SER CB C 13 63.839 0.3 . 1 . . . . B 5 SER CB . 34232 2 51 . 2 2 5 5 SER N N 15 117.803 0.3 . 1 . . . . B 5 SER N . 34232 2 52 . 2 2 6 6 ASP H H 1 8.265 0.020 . 1 . . . . B 6 ASP H . 34232 2 53 . 2 2 6 6 ASP HA H 1 4.679 0.020 . 1 . . . . B 6 ASP HA . 34232 2 54 . 2 2 6 6 ASP HB2 H 1 2.789 0.020 . 2 . . . . B 6 ASP HB2 . 34232 2 55 . 2 2 6 6 ASP HB3 H 1 2.684 0.020 . 2 . . . . B 6 ASP HB3 . 34232 2 56 . 2 2 6 6 ASP C C 13 176.473 0.3 . 1 . . . . B 6 ASP C . 34232 2 57 . 2 2 6 6 ASP CA C 13 54.110 0.3 . 1 . . . . B 6 ASP CA . 34232 2 58 . 2 2 6 6 ASP CB C 13 40.904 0.3 . 1 . . . . B 6 ASP CB . 34232 2 59 . 2 2 6 6 ASP N N 15 121.839 0.3 . 1 . . . . B 6 ASP N . 34232 2 60 . 2 2 7 7 THR H H 1 8.077 0.020 . 1 . . . . B 7 THR H . 34232 2 61 . 2 2 7 7 THR HA H 1 4.438 0.020 . 1 . . . . B 7 THR HA . 34232 2 62 . 2 2 7 7 THR HB H 1 4.317 0.020 . 1 . . . . B 7 THR HB . 34232 2 63 . 2 2 7 7 THR HG21 H 1 1.161 0.020 . 1 . . . . B 7 THR HG21 . 34232 2 64 . 2 2 7 7 THR HG22 H 1 1.161 0.020 . 1 . . . . B 7 THR HG22 . 34232 2 65 . 2 2 7 7 THR HG23 H 1 1.161 0.020 . 1 . . . . B 7 THR HG23 . 34232 2 66 . 2 2 7 7 THR C C 13 174.733 0.3 . 1 . . . . B 7 THR C . 34232 2 67 . 2 2 7 7 THR CA C 13 61.952 0.3 . 1 . . . . B 7 THR CA . 34232 2 68 . 2 2 7 7 THR CB C 13 69.481 0.3 . 1 . . . . B 7 THR CB . 34232 2 69 . 2 2 7 7 THR CG2 C 13 21.266 0.3 . 1 . . . . B 7 THR CG2 . 34232 2 70 . 2 2 7 7 THR N N 15 113.587 0.3 . 1 . . . . B 7 THR N . 34232 2 71 . 2 2 8 8 THR H H 1 8.191 0.020 . 1 . . . . B 8 THR H . 34232 2 72 . 2 2 8 8 THR HA H 1 4.434 0.020 . 1 . . . . B 8 THR HA . 34232 2 73 . 2 2 8 8 THR HB H 1 4.308 0.020 . 1 . . . . B 8 THR HB . 34232 2 74 . 2 2 8 8 THR HG21 H 1 1.221 0.020 . 1 . . . . B 8 THR HG21 . 34232 2 75 . 2 2 8 8 THR HG22 H 1 1.221 0.020 . 1 . . . . B 8 THR HG22 . 34232 2 76 . 2 2 8 8 THR HG23 H 1 1.221 0.020 . 1 . . . . B 8 THR HG23 . 34232 2 77 . 2 2 8 8 THR C C 13 174.252 0.3 . 1 . . . . B 8 THR C . 34232 2 78 . 2 2 8 8 THR CA C 13 62.232 0.3 . 1 . . . . B 8 THR CA . 34232 2 79 . 2 2 8 8 THR CB C 13 69.778 0.3 . 1 . . . . B 8 THR CB . 34232 2 80 . 2 2 8 8 THR CG2 C 13 23.854 0.3 . 1 . . . . B 8 THR CG2 . 34232 2 81 . 2 2 8 8 THR N N 15 115.374 0.3 . 1 . . . . B 8 THR N . 34232 2 82 . 2 2 9 9 SER H H 1 8.073 0.020 . 1 . . . . B 9 SER H . 34232 2 83 . 2 2 9 9 SER HA H 1 4.670 0.020 . 1 . . . . B 9 SER HA . 34232 2 84 . 2 2 9 9 SER HB2 H 1 3.859 0.020 . 2 . . . . B 9 SER HB2 . 34232 2 85 . 2 2 9 9 SER HB3 H 1 4.400 0.020 . 2 . . . . B 9 SER HB3 . 34232 2 86 . 2 2 9 9 SER C C 13 173.533 0.3 . 1 . . . . B 9 SER C . 34232 2 87 . 2 2 9 9 SER CA C 13 58.307 0.3 . 1 . . . . B 9 SER CA . 34232 2 88 . 2 2 9 9 SER CB C 13 63.828 0.3 . 1 . . . . B 9 SER CB . 34232 2 89 . 2 2 9 9 SER N N 15 118.593 0.3 . 1 . . . . B 9 SER N . 34232 2 90 . 2 2 10 10 CYS H H 1 8.281 0.020 . 1 . . . . B 10 CYS H . 34232 2 91 . 2 2 10 10 CYS HA H 1 5.121 0.020 . 1 . . . . B 10 CYS HA . 34232 2 92 . 2 2 10 10 CYS HB2 H 1 2.522 0.020 . 2 . . . . B 10 CYS HB2 . 34232 2 93 . 2 2 10 10 CYS HB3 H 1 3.281 0.020 . 2 . . . . B 10 CYS HB3 . 34232 2 94 . 2 2 10 10 CYS C C 13 173.588 0.3 . 1 . . . . B 10 CYS C . 34232 2 95 . 2 2 10 10 CYS CA C 13 51.925 0.3 . 1 . . . . B 10 CYS CA . 34232 2 96 . 2 2 10 10 CYS CB C 13 39.922 0.3 . 1 . . . . B 10 CYS CB . 34232 2 97 . 2 2 10 10 CYS N N 15 119.279 0.3 . 1 . . . . B 10 CYS N . 34232 2 98 . 2 2 11 11 CYS H H 1 9.192 0.020 . 1 . . . . B 11 CYS H . 34232 2 99 . 2 2 11 11 CYS HA H 1 4.667 0.020 . 1 . . . . B 11 CYS HA . 34232 2 100 . 2 2 11 11 CYS HB2 H 1 2.475 0.020 . 2 . . . . B 11 CYS HB2 . 34232 2 101 . 2 2 11 11 CYS HB3 H 1 2.933 0.020 . 2 . . . . B 11 CYS HB3 . 34232 2 102 . 2 2 11 11 CYS C C 13 174.481 0.3 . 1 . . . . B 11 CYS C . 34232 2 103 . 2 2 11 11 CYS CA C 13 56.036 0.3 . 1 . . . . B 11 CYS CA . 34232 2 104 . 2 2 11 11 CYS CB C 13 44.400 0.3 . 1 . . . . B 11 CYS CB . 34232 2 105 . 2 2 11 11 CYS N N 15 118.490 0.3 . 1 . . . . B 11 CYS N . 34232 2 106 . 2 2 12 12 PHE H H 1 9.141 0.020 . 1 . . . . B 12 PHE H . 34232 2 107 . 2 2 12 12 PHE HA H 1 4.300 0.020 . 1 . . . . B 12 PHE HA . 34232 2 108 . 2 2 12 12 PHE HB2 H 1 2.762 0.020 . 2 . . . . B 12 PHE HB2 . 34232 2 109 . 2 2 12 12 PHE HB3 H 1 3.285 0.020 . 2 . . . . B 12 PHE HB3 . 34232 2 110 . 2 2 12 12 PHE HD1 H 1 7.238 0.020 . 1 . . . . B 12 PHE HD1 . 34232 2 111 . 2 2 12 12 PHE HD2 H 1 7.238 0.020 . 1 . . . . B 12 PHE HD2 . 34232 2 112 . 2 2 12 12 PHE HE1 H 1 7.254 0.020 . 1 . . . . B 12 PHE HE1 . 34232 2 113 . 2 2 12 12 PHE HE2 H 1 7.254 0.020 . 1 . . . . B 12 PHE HE2 . 34232 2 114 . 2 2 12 12 PHE HZ H 1 7.281 0.020 . 1 . . . . B 12 PHE HZ . 34232 2 115 . 2 2 12 12 PHE C C 13 173.290 0.3 . 1 . . . . B 12 PHE C . 34232 2 116 . 2 2 12 12 PHE CA C 13 58.004 0.3 . 1 . . . . B 12 PHE CA . 34232 2 117 . 2 2 12 12 PHE CB C 13 40.232 0.3 . 1 . . . . B 12 PHE CB . 34232 2 118 . 2 2 12 12 PHE CD1 C 13 131.786 0.3 . 1 . . . . B 12 PHE CD1 . 34232 2 119 . 2 2 12 12 PHE CD2 C 13 131.786 0.3 . 1 . . . . B 12 PHE CD2 . 34232 2 120 . 2 2 12 12 PHE CE1 C 13 131.684 0.3 . 1 . . . . B 12 PHE CE1 . 34232 2 121 . 2 2 12 12 PHE CE2 C 13 131.684 0.3 . 1 . . . . B 12 PHE CE2 . 34232 2 122 . 2 2 12 12 PHE CZ C 13 129.529 0.3 . 1 . . . . B 12 PHE CZ . 34232 2 123 . 2 2 12 12 PHE N N 15 121.119 0.3 . 1 . . . . B 12 PHE N . 34232 2 124 . 2 2 13 13 ALA H H 1 7.544 0.020 . 1 . . . . B 13 ALA H . 34232 2 125 . 2 2 13 13 ALA HA H 1 4.228 0.020 . 1 . . . . B 13 ALA HA . 34232 2 126 . 2 2 13 13 ALA HB1 H 1 1.299 0.020 . 1 . . . . B 13 ALA HB1 . 34232 2 127 . 2 2 13 13 ALA HB2 H 1 1.299 0.020 . 1 . . . . B 13 ALA HB2 . 34232 2 128 . 2 2 13 13 ALA HB3 H 1 1.299 0.020 . 1 . . . . B 13 ALA HB3 . 34232 2 129 . 2 2 13 13 ALA C C 13 174.344 0.3 . 1 . . . . B 13 ALA C . 34232 2 130 . 2 2 13 13 ALA CA C 13 50.780 0.3 . 1 . . . . B 13 ALA CA . 34232 2 131 . 2 2 13 13 ALA CB C 13 21.557 0.3 . 1 . . . . B 13 ALA CB . 34232 2 132 . 2 2 13 13 ALA N N 15 122.287 0.3 . 1 . . . . B 13 ALA N . 34232 2 133 . 2 2 14 14 TYR H H 1 8.218 0.020 . 1 . . . . B 14 TYR H . 34232 2 134 . 2 2 14 14 TYR HA H 1 4.960 0.020 . 1 . . . . B 14 TYR HA . 34232 2 135 . 2 2 14 14 TYR HB2 H 1 2.718 0.020 . 2 . . . . B 14 TYR HB2 . 34232 2 136 . 2 2 14 14 TYR HB3 H 1 3.161 0.020 . 2 . . . . B 14 TYR HB3 . 34232 2 137 . 2 2 14 14 TYR HD1 H 1 6.852 0.020 . 1 . . . . B 14 TYR HD1 . 34232 2 138 . 2 2 14 14 TYR HD2 H 1 6.852 0.020 . 1 . . . . B 14 TYR HD2 . 34232 2 139 . 2 2 14 14 TYR HE1 H 1 6.766 0.020 . 1 . . . . B 14 TYR HE1 . 34232 2 140 . 2 2 14 14 TYR HE2 H 1 6.766 0.020 . 1 . . . . B 14 TYR HE2 . 34232 2 141 . 2 2 14 14 TYR C C 13 176.679 0.3 . 1 . . . . B 14 TYR C . 34232 2 142 . 2 2 14 14 TYR CA C 13 54.830 0.3 . 1 . . . . B 14 TYR CA . 34232 2 143 . 2 2 14 14 TYR CB C 13 41.411 0.3 . 1 . . . . B 14 TYR CB . 34232 2 144 . 2 2 14 14 TYR CD1 C 13 133.115 0.3 . 1 . . . . B 14 TYR CD1 . 34232 2 145 . 2 2 14 14 TYR CD2 C 13 133.115 0.3 . 1 . . . . B 14 TYR CD2 . 34232 2 146 . 2 2 14 14 TYR CE1 C 13 117.123 0.3 . 1 . . . . B 14 TYR CE1 . 34232 2 147 . 2 2 14 14 TYR CE2 C 13 117.123 0.3 . 1 . . . . B 14 TYR CE2 . 34232 2 148 . 2 2 14 14 TYR N N 15 115.522 0.3 . 1 . . . . B 14 TYR N . 34232 2 149 . 2 2 15 15 ILE H H 1 8.850 0.020 . 1 . . . . B 15 ILE H . 34232 2 150 . 2 2 15 15 ILE HA H 1 4.373 0.020 . 1 . . . . B 15 ILE HA . 34232 2 151 . 2 2 15 15 ILE HB H 1 2.064 0.020 . 1 . . . . B 15 ILE HB . 34232 2 152 . 2 2 15 15 ILE HG12 H 1 1.683 0.020 . 2 . . . . B 15 ILE HG12 . 34232 2 153 . 2 2 15 15 ILE HG13 H 1 1.693 0.020 . 2 . . . . B 15 ILE HG13 . 34232 2 154 . 2 2 15 15 ILE HG21 H 1 1.268 0.020 . 1 . . . . B 15 ILE HG21 . 34232 2 155 . 2 2 15 15 ILE HG22 H 1 1.268 0.020 . 1 . . . . B 15 ILE HG22 . 34232 2 156 . 2 2 15 15 ILE HG23 H 1 1.268 0.020 . 1 . . . . B 15 ILE HG23 . 34232 2 157 . 2 2 15 15 ILE HD11 H 1 1.037 0.020 . 1 . . . . B 15 ILE HD11 . 34232 2 158 . 2 2 15 15 ILE HD12 H 1 1.037 0.020 . 1 . . . . B 15 ILE HD12 . 34232 2 159 . 2 2 15 15 ILE HD13 H 1 1.037 0.020 . 1 . . . . B 15 ILE HD13 . 34232 2 160 . 2 2 15 15 ILE C C 13 175.603 0.3 . 1 . . . . B 15 ILE C . 34232 2 161 . 2 2 15 15 ILE CA C 13 61.340 0.3 . 1 . . . . B 15 ILE CA . 34232 2 162 . 2 2 15 15 ILE CB C 13 38.867 0.3 . 1 . . . . B 15 ILE CB . 34232 2 163 . 2 2 15 15 ILE CG1 C 13 28.820 0.3 . 1 . . . . B 15 ILE CG1 . 34232 2 164 . 2 2 15 15 ILE CG2 C 13 17.586 0.3 . 1 . . . . B 15 ILE CG2 . 34232 2 165 . 2 2 15 15 ILE CD1 C 13 14.576 0.3 . 1 . . . . B 15 ILE CD1 . 34232 2 166 . 2 2 15 15 ILE N N 15 121.861 0.3 . 1 . . . . B 15 ILE N . 34232 2 167 . 2 2 16 16 ALA H H 1 8.568 0.020 . 1 . . . . B 16 ALA H . 34232 2 168 . 2 2 16 16 ALA HA H 1 4.467 0.020 . 1 . . . . B 16 ALA HA . 34232 2 169 . 2 2 16 16 ALA HB1 H 1 1.509 0.020 . 1 . . . . B 16 ALA HB1 . 34232 2 170 . 2 2 16 16 ALA HB2 H 1 1.509 0.020 . 1 . . . . B 16 ALA HB2 . 34232 2 171 . 2 2 16 16 ALA HB3 H 1 1.509 0.020 . 1 . . . . B 16 ALA HB3 . 34232 2 172 . 2 2 16 16 ALA C C 13 177.334 0.3 . 1 . . . . B 16 ALA C . 34232 2 173 . 2 2 16 16 ALA CA C 13 53.645 0.3 . 1 . . . . B 16 ALA CA . 34232 2 174 . 2 2 16 16 ALA CB C 13 20.045 0.3 . 1 . . . . B 16 ALA CB . 34232 2 175 . 2 2 16 16 ALA N N 15 127.336 0.3 . 1 . . . . B 16 ALA N . 34232 2 176 . 2 2 17 17 ARG H H 1 7.540 0.020 . 1 . . . . B 17 ARG H . 34232 2 177 . 2 2 17 17 ARG HA H 1 4.472 0.020 . 1 . . . . B 17 ARG HA . 34232 2 178 . 2 2 17 17 ARG HB2 H 1 1.503 0.020 . 2 . . . . B 17 ARG HB2 . 34232 2 179 . 2 2 17 17 ARG HB3 H 1 1.663 0.020 . 2 . . . . B 17 ARG HB3 . 34232 2 180 . 2 2 17 17 ARG HG2 H 1 1.486 0.020 . 1 . . . . B 17 ARG HG2 . 34232 2 181 . 2 2 17 17 ARG HG3 H 1 1.486 0.020 . 1 . . . . B 17 ARG HG3 . 34232 2 182 . 2 2 17 17 ARG HD2 H 1 3.135 0.020 . 2 . . . . B 17 ARG HD2 . 34232 2 183 . 2 2 17 17 ARG HD3 H 1 3.048 0.020 . 2 . . . . B 17 ARG HD3 . 34232 2 184 . 2 2 17 17 ARG CA C 13 52.497 0.3 . 1 . . . . B 17 ARG CA . 34232 2 185 . 2 2 17 17 ARG CB C 13 31.117 0.3 . 1 . . . . B 17 ARG CB . 34232 2 186 . 2 2 17 17 ARG CG C 13 26.317 0.3 . 1 . . . . B 17 ARG CG . 34232 2 187 . 2 2 17 17 ARG CD C 13 43.149 0.3 . 1 . . . . B 17 ARG CD . 34232 2 188 . 2 2 17 17 ARG N N 15 117.497 0.3 . 1 . . . . B 17 ARG N . 34232 2 189 . 2 2 18 18 PRO HA H 1 1.973 0.020 . 1 . . . . B 18 PRO HA . 34232 2 190 . 2 2 18 18 PRO HB2 H 1 0.748 0.020 . 2 . . . . B 18 PRO HB2 . 34232 2 191 . 2 2 18 18 PRO HB3 H 1 1.067 0.020 . 2 . . . . B 18 PRO HB3 . 34232 2 192 . 2 2 18 18 PRO HG2 H 1 1.211 0.020 . 2 . . . . B 18 PRO HG2 . 34232 2 193 . 2 2 18 18 PRO HG3 H 1 1.468 0.020 . 2 . . . . B 18 PRO HG3 . 34232 2 194 . 2 2 18 18 PRO HD2 H 1 2.909 0.020 . 2 . . . . B 18 PRO HD2 . 34232 2 195 . 2 2 18 18 PRO HD3 H 1 3.108 0.020 . 2 . . . . B 18 PRO HD3 . 34232 2 196 . 2 2 18 18 PRO C C 13 176.429 0.3 . 1 . . . . B 18 PRO C . 34232 2 197 . 2 2 18 18 PRO CA C 13 61.843 0.3 . 1 . . . . B 18 PRO CA . 34232 2 198 . 2 2 18 18 PRO CB C 13 31.294 0.3 . 1 . . . . B 18 PRO CB . 34232 2 199 . 2 2 18 18 PRO CG C 13 26.324 0.3 . 1 . . . . B 18 PRO CG . 34232 2 200 . 2 2 18 18 PRO CD C 13 49.678 0.3 . 1 . . . . B 18 PRO CD . 34232 2 201 . 2 2 19 19 LEU H H 1 5.304 0.020 . 1 . . . . B 19 LEU H . 34232 2 202 . 2 2 19 19 LEU HA H 1 4.470 0.020 . 1 . . . . B 19 LEU HA . 34232 2 203 . 2 2 19 19 LEU HB2 H 1 1.316 0.020 . 2 . . . . B 19 LEU HB2 . 34232 2 204 . 2 2 19 19 LEU HB3 H 1 1.392 0.020 . 2 . . . . B 19 LEU HB3 . 34232 2 205 . 2 2 19 19 LEU HG H 1 1.636 0.020 . 1 . . . . B 19 LEU HG . 34232 2 206 . 2 2 19 19 LEU HD11 H 1 0.860 0.020 . 1 . . . . B 19 LEU HD11 . 34232 2 207 . 2 2 19 19 LEU HD12 H 1 0.860 0.020 . 1 . . . . B 19 LEU HD12 . 34232 2 208 . 2 2 19 19 LEU HD13 H 1 0.860 0.020 . 1 . . . . B 19 LEU HD13 . 34232 2 209 . 2 2 19 19 LEU HD21 H 1 0.880 0.020 . 1 . . . . B 19 LEU HD21 . 34232 2 210 . 2 2 19 19 LEU HD22 H 1 0.880 0.020 . 1 . . . . B 19 LEU HD22 . 34232 2 211 . 2 2 19 19 LEU HD23 H 1 0.880 0.020 . 1 . . . . B 19 LEU HD23 . 34232 2 212 . 2 2 19 19 LEU CA C 13 52.416 0.3 . 1 . . . . B 19 LEU CA . 34232 2 213 . 2 2 19 19 LEU CB C 13 42.449 0.3 . 1 . . . . B 19 LEU CB . 34232 2 214 . 2 2 19 19 LEU CG C 13 27.381 0.3 . 1 . . . . B 19 LEU CG . 34232 2 215 . 2 2 19 19 LEU CD1 C 13 26.153 0.3 . 1 . . . . B 19 LEU CD1 . 34232 2 216 . 2 2 19 19 LEU CD2 C 13 24.683 0.3 . 1 . . . . B 19 LEU CD2 . 34232 2 217 . 2 2 19 19 LEU N N 15 121.607 0.3 . 1 . . . . B 19 LEU N . 34232 2 218 . 2 2 20 20 PRO HA H 1 4.210 0.020 . 1 . . . . B 20 PRO HA . 34232 2 219 . 2 2 20 20 PRO HB2 H 1 1.258 0.020 . 2 . . . . B 20 PRO HB2 . 34232 2 220 . 2 2 20 20 PRO HB3 H 1 2.098 0.020 . 2 . . . . B 20 PRO HB3 . 34232 2 221 . 2 2 20 20 PRO HG2 H 1 1.622 0.020 . 2 . . . . B 20 PRO HG2 . 34232 2 222 . 2 2 20 20 PRO HG3 H 1 1.751 0.020 . 2 . . . . B 20 PRO HG3 . 34232 2 223 . 2 2 20 20 PRO HD2 H 1 3.173 0.020 . 2 . . . . B 20 PRO HD2 . 34232 2 224 . 2 2 20 20 PRO HD3 H 1 3.740 0.020 . 2 . . . . B 20 PRO HD3 . 34232 2 225 . 2 2 20 20 PRO C C 13 177.492 0.3 . 1 . . . . B 20 PRO C . 34232 2 226 . 2 2 20 20 PRO CA C 13 62.836 0.3 . 1 . . . . B 20 PRO CA . 34232 2 227 . 2 2 20 20 PRO CB C 13 30.981 0.3 . 1 . . . . B 20 PRO CB . 34232 2 228 . 2 2 20 20 PRO CG C 13 27.317 0.3 . 1 . . . . B 20 PRO CG . 34232 2 229 . 2 2 20 20 PRO CD C 13 50.190 0.3 . 1 . . . . B 20 PRO CD . 34232 2 230 . 2 2 21 21 ARG H H 1 8.423 0.020 . 1 . . . . B 21 ARG H . 34232 2 231 . 2 2 21 21 ARG HA H 1 3.468 0.020 . 1 . . . . B 21 ARG HA . 34232 2 232 . 2 2 21 21 ARG HB2 H 1 1.475 0.020 . 2 . . . . B 21 ARG HB2 . 34232 2 233 . 2 2 21 21 ARG HB3 H 1 1.593 0.020 . 2 . . . . B 21 ARG HB3 . 34232 2 234 . 2 2 21 21 ARG HG2 H 1 1.193 0.020 . 2 . . . . B 21 ARG HG2 . 34232 2 235 . 2 2 21 21 ARG HG3 H 1 1.423 0.020 . 2 . . . . B 21 ARG HG3 . 34232 2 236 . 2 2 21 21 ARG HD2 H 1 2.483 0.020 . 2 . . . . B 21 ARG HD2 . 34232 2 237 . 2 2 21 21 ARG HD3 H 1 2.841 0.020 . 2 . . . . B 21 ARG HD3 . 34232 2 238 . 2 2 21 21 ARG C C 13 178.587 0.3 . 1 . . . . B 21 ARG C . 34232 2 239 . 2 2 21 21 ARG CA C 13 58.623 0.3 . 1 . . . . B 21 ARG CA . 34232 2 240 . 2 2 21 21 ARG CB C 13 29.325 0.3 . 1 . . . . B 21 ARG CB . 34232 2 241 . 2 2 21 21 ARG CG C 13 26.831 0.3 . 1 . . . . B 21 ARG CG . 34232 2 242 . 2 2 21 21 ARG CD C 13 41.928 0.3 . 1 . . . . B 21 ARG CD . 34232 2 243 . 2 2 21 21 ARG N N 15 127.587 0.3 . 1 . . . . B 21 ARG N . 34232 2 244 . 2 2 22 22 ALA H H 1 8.593 0.020 . 1 . . . . B 22 ALA H . 34232 2 245 . 2 2 22 22 ALA HA H 1 4.217 0.020 . 1 . . . . B 22 ALA HA . 34232 2 246 . 2 2 22 22 ALA HB1 H 1 1.362 0.020 . 1 . . . . B 22 ALA HB1 . 34232 2 247 . 2 2 22 22 ALA HB2 H 1 1.362 0.020 . 1 . . . . B 22 ALA HB2 . 34232 2 248 . 2 2 22 22 ALA HB3 H 1 1.362 0.020 . 1 . . . . B 22 ALA HB3 . 34232 2 249 . 2 2 22 22 ALA C C 13 178.231 0.3 . 1 . . . . B 22 ALA C . 34232 2 250 . 2 2 22 22 ALA CA C 13 53.497 0.3 . 1 . . . . B 22 ALA CA . 34232 2 251 . 2 2 22 22 ALA CB C 13 18.240 0.3 . 1 . . . . B 22 ALA CB . 34232 2 252 . 2 2 22 22 ALA N N 15 118.527 0.3 . 1 . . . . B 22 ALA N . 34232 2 253 . 2 2 23 23 HIS H H 1 7.778 0.020 . 1 . . . . B 23 HIS H . 34232 2 254 . 2 2 23 23 HIS HA H 1 4.701 0.020 . 1 . . . . B 23 HIS HA . 34232 2 255 . 2 2 23 23 HIS HB2 H 1 3.088 0.020 . 2 . . . . B 23 HIS HB2 . 34232 2 256 . 2 2 23 23 HIS HB3 H 1 3.648 0.020 . 2 . . . . B 23 HIS HB3 . 34232 2 257 . 2 2 23 23 HIS HD2 H 1 6.844 0.020 . 1 . . . . B 23 HIS HD2 . 34232 2 258 . 2 2 23 23 HIS HE1 H 1 8.603 0.020 . 1 . . . . B 23 HIS HE1 . 34232 2 259 . 2 2 23 23 HIS C C 13 174.182 0.3 . 1 . . . . B 23 HIS C . 34232 2 260 . 2 2 23 23 HIS CA C 13 54.640 0.3 . 1 . . . . B 23 HIS CA . 34232 2 261 . 2 2 23 23 HIS CB C 13 29.811 0.3 . 1 . . . . B 23 HIS CB . 34232 2 262 . 2 2 23 23 HIS CD2 C 13 117.444 0.3 . 1 . . . . B 23 HIS CD2 . 34232 2 263 . 2 2 23 23 HIS CE1 C 13 136.358 0.3 . 1 . . . . B 23 HIS CE1 . 34232 2 264 . 2 2 23 23 HIS N N 15 112.854 0.3 . 1 . . . . B 23 HIS N . 34232 2 265 . 2 2 24 24 ILE H H 1 7.613 0.020 . 1 . . . . B 24 ILE H . 34232 2 266 . 2 2 24 24 ILE HA H 1 4.101 0.020 . 1 . . . . B 24 ILE HA . 34232 2 267 . 2 2 24 24 ILE HB H 1 1.878 0.020 . 1 . . . . B 24 ILE HB . 34232 2 268 . 2 2 24 24 ILE HG12 H 1 0.864 0.020 . 2 . . . . B 24 ILE HG12 . 34232 2 269 . 2 2 24 24 ILE HG13 H 1 1.480 0.020 . 2 . . . . B 24 ILE HG13 . 34232 2 270 . 2 2 24 24 ILE HG21 H 1 1.019 0.020 . 1 . . . . B 24 ILE HG21 . 34232 2 271 . 2 2 24 24 ILE HG22 H 1 1.019 0.020 . 1 . . . . B 24 ILE HG22 . 34232 2 272 . 2 2 24 24 ILE HG23 H 1 1.019 0.020 . 1 . . . . B 24 ILE HG23 . 34232 2 273 . 2 2 24 24 ILE HD11 H 1 0.407 0.020 . 1 . . . . B 24 ILE HD11 . 34232 2 274 . 2 2 24 24 ILE HD12 H 1 0.407 0.020 . 1 . . . . B 24 ILE HD12 . 34232 2 275 . 2 2 24 24 ILE HD13 H 1 0.407 0.020 . 1 . . . . B 24 ILE HD13 . 34232 2 276 . 2 2 24 24 ILE C C 13 174.337 0.3 . 1 . . . . B 24 ILE C . 34232 2 277 . 2 2 24 24 ILE CA C 13 61.778 0.3 . 1 . . . . B 24 ILE CA . 34232 2 278 . 2 2 24 24 ILE CB C 13 38.835 0.3 . 1 . . . . B 24 ILE CB . 34232 2 279 . 2 2 24 24 ILE CG1 C 13 26.615 0.3 . 1 . . . . B 24 ILE CG1 . 34232 2 280 . 2 2 24 24 ILE CG2 C 13 19.230 0.3 . 1 . . . . B 24 ILE CG2 . 34232 2 281 . 2 2 24 24 ILE CD1 C 13 13.214 0.3 . 1 . . . . B 24 ILE CD1 . 34232 2 282 . 2 2 24 24 ILE N N 15 119.725 0.3 . 1 . . . . B 24 ILE N . 34232 2 283 . 2 2 25 25 LYS H H 1 9.357 0.020 . 1 . . . . B 25 LYS H . 34232 2 284 . 2 2 25 25 LYS HA H 1 4.647 0.020 . 1 . . . . B 25 LYS HA . 34232 2 285 . 2 2 25 25 LYS HB2 H 1 1.704 0.020 . 2 . . . . B 25 LYS HB2 . 34232 2 286 . 2 2 25 25 LYS HB3 H 1 1.681 0.020 . 2 . . . . B 25 LYS HB3 . 34232 2 287 . 2 2 25 25 LYS HG2 H 1 1.414 0.020 . 2 . . . . B 25 LYS HG2 . 34232 2 288 . 2 2 25 25 LYS HG3 H 1 1.386 0.020 . 2 . . . . B 25 LYS HG3 . 34232 2 289 . 2 2 25 25 LYS HD2 H 1 1.672 0.020 . 2 . . . . B 25 LYS HD2 . 34232 2 290 . 2 2 25 25 LYS HD3 H 1 1.726 0.020 . 2 . . . . B 25 LYS HD3 . 34232 2 291 . 2 2 25 25 LYS HE2 H 1 2.937 0.020 . 2 . . . . B 25 LYS HE2 . 34232 2 292 . 2 2 25 25 LYS HE3 H 1 3.077 0.020 . 2 . . . . B 25 LYS HE3 . 34232 2 293 . 2 2 25 25 LYS C C 13 175.364 0.3 . 1 . . . . B 25 LYS C . 34232 2 294 . 2 2 25 25 LYS CA C 13 56.853 0.3 . 1 . . . . B 25 LYS CA . 34232 2 295 . 2 2 25 25 LYS CB C 13 35.350 0.3 . 1 . . . . B 25 LYS CB . 34232 2 296 . 2 2 25 25 LYS CG C 13 24.609 0.3 . 1 . . . . B 25 LYS CG . 34232 2 297 . 2 2 25 25 LYS CD C 13 29.918 0.3 . 1 . . . . B 25 LYS CD . 34232 2 298 . 2 2 25 25 LYS CE C 13 41.833 0.3 . 1 . . . . B 25 LYS CE . 34232 2 299 . 2 2 25 25 LYS N N 15 125.083 0.3 . 1 . . . . B 25 LYS N . 34232 2 300 . 2 2 26 26 GLU H H 1 7.992 0.020 . 1 . . . . B 26 GLU H . 34232 2 301 . 2 2 26 26 GLU HA H 1 4.977 0.020 . 1 . . . . B 26 GLU HA . 34232 2 302 . 2 2 26 26 GLU HB2 H 1 2.149 0.020 . 2 . . . . B 26 GLU HB2 . 34232 2 303 . 2 2 26 26 GLU HB3 H 1 2.354 0.020 . 2 . . . . B 26 GLU HB3 . 34232 2 304 . 2 2 26 26 GLU HG2 H 1 2.243 0.020 . 2 . . . . B 26 GLU HG2 . 34232 2 305 . 2 2 26 26 GLU HG3 H 1 2.182 0.020 . 2 . . . . B 26 GLU HG3 . 34232 2 306 . 2 2 26 26 GLU C C 13 172.892 0.3 . 1 . . . . B 26 GLU C . 34232 2 307 . 2 2 26 26 GLU CA C 13 54.974 0.3 . 1 . . . . B 26 GLU CA . 34232 2 308 . 2 2 26 26 GLU CB C 13 32.387 0.3 . 1 . . . . B 26 GLU CB . 34232 2 309 . 2 2 26 26 GLU CG C 13 34.096 0.3 . 1 . . . . B 26 GLU CG . 34232 2 310 . 2 2 26 26 GLU N N 15 114.967 0.3 . 1 . . . . B 26 GLU N . 34232 2 311 . 2 2 27 27 TYR H H 1 8.257 0.020 . 1 . . . . B 27 TYR H . 34232 2 312 . 2 2 27 27 TYR HA H 1 5.912 0.020 . 1 . . . . B 27 TYR HA . 34232 2 313 . 2 2 27 27 TYR HB2 H 1 2.486 0.020 . 2 . . . . B 27 TYR HB2 . 34232 2 314 . 2 2 27 27 TYR HB3 H 1 2.810 0.020 . 2 . . . . B 27 TYR HB3 . 34232 2 315 . 2 2 27 27 TYR HD1 H 1 6.573 0.020 . 1 . . . . B 27 TYR HD1 . 34232 2 316 . 2 2 27 27 TYR HD2 H 1 6.573 0.020 . 1 . . . . B 27 TYR HD2 . 34232 2 317 . 2 2 27 27 TYR HE1 H 1 6.642 0.020 . 1 . . . . B 27 TYR HE1 . 34232 2 318 . 2 2 27 27 TYR HE2 H 1 6.642 0.020 . 1 . . . . B 27 TYR HE2 . 34232 2 319 . 2 2 27 27 TYR C C 13 172.696 0.3 . 1 . . . . B 27 TYR C . 34232 2 320 . 2 2 27 27 TYR CA C 13 55.818 0.3 . 1 . . . . B 27 TYR CA . 34232 2 321 . 2 2 27 27 TYR CB C 13 42.993 0.3 . 1 . . . . B 27 TYR CB . 34232 2 322 . 2 2 27 27 TYR CD1 C 13 132.630 0.3 . 1 . . . . B 27 TYR CD1 . 34232 2 323 . 2 2 27 27 TYR CD2 C 13 132.630 0.3 . 1 . . . . B 27 TYR CD2 . 34232 2 324 . 2 2 27 27 TYR CE1 C 13 118.193 0.3 . 1 . . . . B 27 TYR CE1 . 34232 2 325 . 2 2 27 27 TYR CE2 C 13 118.193 0.3 . 1 . . . . B 27 TYR CE2 . 34232 2 326 . 2 2 27 27 TYR N N 15 116.903 0.3 . 1 . . . . B 27 TYR N . 34232 2 327 . 2 2 28 28 PHE H H 1 8.478 0.020 . 1 . . . . B 28 PHE H . 34232 2 328 . 2 2 28 28 PHE HA H 1 4.495 0.020 . 1 . . . . B 28 PHE HA . 34232 2 329 . 2 2 28 28 PHE HB2 H 1 3.046 0.020 . 2 . . . . B 28 PHE HB2 . 34232 2 330 . 2 2 28 28 PHE HB3 H 1 3.143 0.020 . 2 . . . . B 28 PHE HB3 . 34232 2 331 . 2 2 28 28 PHE HD1 H 1 6.890 0.020 . 1 . . . . B 28 PHE HD1 . 34232 2 332 . 2 2 28 28 PHE HD2 H 1 6.890 0.020 . 1 . . . . B 28 PHE HD2 . 34232 2 333 . 2 2 28 28 PHE HE1 H 1 7.053 0.020 . 1 . . . . B 28 PHE HE1 . 34232 2 334 . 2 2 28 28 PHE HE2 H 1 7.053 0.020 . 1 . . . . B 28 PHE HE2 . 34232 2 335 . 2 2 28 28 PHE HZ H 1 7.148 0.020 . 1 . . . . B 28 PHE HZ . 34232 2 336 . 2 2 28 28 PHE C C 13 172.808 0.3 . 1 . . . . B 28 PHE C . 34232 2 337 . 2 2 28 28 PHE CA C 13 55.963 0.3 . 1 . . . . B 28 PHE CA . 34232 2 338 . 2 2 28 28 PHE CB C 13 40.279 0.3 . 1 . . . . B 28 PHE CB . 34232 2 339 . 2 2 28 28 PHE CD1 C 13 132.747 0.3 . 1 . . . . B 28 PHE CD1 . 34232 2 340 . 2 2 28 28 PHE CD2 C 13 132.747 0.3 . 1 . . . . B 28 PHE CD2 . 34232 2 341 . 2 2 28 28 PHE CE1 C 13 130.506 0.3 . 1 . . . . B 28 PHE CE1 . 34232 2 342 . 2 2 28 28 PHE CE2 C 13 130.506 0.3 . 1 . . . . B 28 PHE CE2 . 34232 2 343 . 2 2 28 28 PHE CZ C 13 129.414 0.3 . 1 . . . . B 28 PHE CZ . 34232 2 344 . 2 2 28 28 PHE N N 15 114.960 0.3 . 1 . . . . B 28 PHE N . 34232 2 345 . 2 2 29 29 TYR H H 1 8.917 0.020 . 1 . . . . B 29 TYR H . 34232 2 346 . 2 2 29 29 TYR HA H 1 5.186 0.020 . 1 . . . . B 29 TYR HA . 34232 2 347 . 2 2 29 29 TYR HB2 H 1 2.870 0.020 . 2 . . . . B 29 TYR HB2 . 34232 2 348 . 2 2 29 29 TYR HB3 H 1 3.288 0.020 . 2 . . . . B 29 TYR HB3 . 34232 2 349 . 2 2 29 29 TYR HD1 H 1 7.264 0.020 . 1 . . . . B 29 TYR HD1 . 34232 2 350 . 2 2 29 29 TYR HD2 H 1 7.264 0.020 . 1 . . . . B 29 TYR HD2 . 34232 2 351 . 2 2 29 29 TYR HE1 H 1 6.775 0.020 . 1 . . . . B 29 TYR HE1 . 34232 2 352 . 2 2 29 29 TYR HE2 H 1 6.775 0.020 . 1 . . . . B 29 TYR HE2 . 34232 2 353 . 2 2 29 29 TYR C C 13 177.495 0.3 . 1 . . . . B 29 TYR C . 34232 2 354 . 2 2 29 29 TYR CA C 13 57.567 0.3 . 1 . . . . B 29 TYR CA . 34232 2 355 . 2 2 29 29 TYR CB C 13 39.642 0.3 . 1 . . . . B 29 TYR CB . 34232 2 356 . 2 2 29 29 TYR CD1 C 13 133.181 0.3 . 1 . . . . B 29 TYR CD1 . 34232 2 357 . 2 2 29 29 TYR CD2 C 13 133.181 0.3 . 1 . . . . B 29 TYR CD2 . 34232 2 358 . 2 2 29 29 TYR CE1 C 13 117.437 0.3 . 1 . . . . B 29 TYR CE1 . 34232 2 359 . 2 2 29 29 TYR CE2 C 13 117.437 0.3 . 1 . . . . B 29 TYR CE2 . 34232 2 360 . 2 2 29 29 TYR N N 15 119.224 0.3 . 1 . . . . B 29 TYR N . 34232 2 361 . 2 2 30 30 THR H H 1 8.025 0.020 . 1 . . . . B 30 THR H . 34232 2 362 . 2 2 30 30 THR HA H 1 4.604 0.020 . 1 . . . . B 30 THR HA . 34232 2 363 . 2 2 30 30 THR HB H 1 4.934 0.020 . 1 . . . . B 30 THR HB . 34232 2 364 . 2 2 30 30 THR HG21 H 1 1.247 0.020 . 1 . . . . B 30 THR HG21 . 34232 2 365 . 2 2 30 30 THR HG22 H 1 1.247 0.020 . 1 . . . . B 30 THR HG22 . 34232 2 366 . 2 2 30 30 THR HG23 H 1 1.247 0.020 . 1 . . . . B 30 THR HG23 . 34232 2 367 . 2 2 30 30 THR C C 13 174.593 0.3 . 1 . . . . B 30 THR C . 34232 2 368 . 2 2 30 30 THR CA C 13 61.697 0.3 . 1 . . . . B 30 THR CA . 34232 2 369 . 2 2 30 30 THR CB C 13 70.701 0.3 . 1 . . . . B 30 THR CB . 34232 2 370 . 2 2 30 30 THR CG2 C 13 23.852 0.3 . 1 . . . . B 30 THR CG2 . 34232 2 371 . 2 2 30 30 THR N N 15 110.345 0.3 . 1 . . . . B 30 THR N . 34232 2 372 . 2 2 31 31 SER H H 1 8.938 0.020 . 1 . . . . B 31 SER H . 34232 2 373 . 2 2 31 31 SER HA H 1 4.395 0.020 . 1 . . . . B 31 SER HA . 34232 2 374 . 2 2 31 31 SER HB2 H 1 4.192 0.020 . 2 . . . . B 31 SER HB2 . 34232 2 375 . 2 2 31 31 SER HB3 H 1 3.898 0.020 . 2 . . . . B 31 SER HB3 . 34232 2 376 . 2 2 31 31 SER C C 13 176.899 0.3 . 1 . . . . B 31 SER C . 34232 2 377 . 2 2 31 31 SER CA C 13 58.579 0.3 . 1 . . . . B 31 SER CA . 34232 2 378 . 2 2 31 31 SER CB C 13 64.011 0.3 . 1 . . . . B 31 SER CB . 34232 2 379 . 2 2 31 31 SER N N 15 115.082 0.3 . 1 . . . . B 31 SER N . 34232 2 380 . 2 2 32 32 GLY H H 1 8.919 0.020 . 1 . . . . B 32 GLY H . 34232 2 381 . 2 2 32 32 GLY HA2 H 1 3.919 0.020 . 2 . . . . B 32 GLY HA2 . 34232 2 382 . 2 2 32 32 GLY HA3 H 1 4.144 0.020 . 2 . . . . B 32 GLY HA3 . 34232 2 383 . 2 2 32 32 GLY C C 13 174.218 0.3 . 1 . . . . B 32 GLY C . 34232 2 384 . 2 2 32 32 GLY CA C 13 46.227 0.3 . 1 . . . . B 32 GLY CA . 34232 2 385 . 2 2 32 32 GLY N N 15 114.924 0.3 . 1 . . . . B 32 GLY N . 34232 2 386 . 2 2 33 33 LYS H H 1 8.169 0.020 . 1 . . . . B 33 LYS H . 34232 2 387 . 2 2 33 33 LYS HA H 1 4.250 0.020 . 1 . . . . B 33 LYS HA . 34232 2 388 . 2 2 33 33 LYS HB2 H 1 1.700 0.020 . 2 . . . . B 33 LYS HB2 . 34232 2 389 . 2 2 33 33 LYS HB3 H 1 1.913 0.020 . 2 . . . . B 33 LYS HB3 . 34232 2 390 . 2 2 33 33 LYS HG2 H 1 1.421 0.020 . 2 . . . . B 33 LYS HG2 . 34232 2 391 . 2 2 33 33 LYS HG3 H 1 1.512 0.020 . 2 . . . . B 33 LYS HG3 . 34232 2 392 . 2 2 33 33 LYS HD2 H 1 1.687 0.020 . 2 . . . . B 33 LYS HD2 . 34232 2 393 . 2 2 33 33 LYS HD3 H 1 1.672 0.020 . 2 . . . . B 33 LYS HD3 . 34232 2 394 . 2 2 33 33 LYS HE2 H 1 2.948 0.020 . 2 . . . . B 33 LYS HE2 . 34232 2 395 . 2 2 33 33 LYS HE3 H 1 3.010 0.020 . 2 . . . . B 33 LYS HE3 . 34232 2 396 . 2 2 33 33 LYS C C 13 177.521 0.3 . 1 . . . . B 33 LYS C . 34232 2 397 . 2 2 33 33 LYS CA C 13 56.552 0.3 . 1 . . . . B 33 LYS CA . 34232 2 398 . 2 2 33 33 LYS CB C 13 31.860 0.3 . 1 . . . . B 33 LYS CB . 34232 2 399 . 2 2 33 33 LYS CG C 13 25.023 0.3 . 1 . . . . B 33 LYS CG . 34232 2 400 . 2 2 33 33 LYS CD C 13 28.733 0.3 . 1 . . . . B 33 LYS CD . 34232 2 401 . 2 2 33 33 LYS CE C 13 41.752 0.3 . 1 . . . . B 33 LYS CE . 34232 2 402 . 2 2 33 33 LYS N N 15 117.865 0.3 . 1 . . . . B 33 LYS N . 34232 2 403 . 2 2 34 34 CYS H H 1 7.556 0.020 . 1 . . . . B 34 CYS H . 34232 2 404 . 2 2 34 34 CYS HA H 1 4.657 0.020 . 1 . . . . B 34 CYS HA . 34232 2 405 . 2 2 34 34 CYS HB2 H 1 3.543 0.020 . 2 . . . . B 34 CYS HB2 . 34232 2 406 . 2 2 34 34 CYS HB3 H 1 2.780 0.020 . 2 . . . . B 34 CYS HB3 . 34232 2 407 . 2 2 34 34 CYS C C 13 175.184 0.3 . 1 . . . . B 34 CYS C . 34232 2 408 . 2 2 34 34 CYS CA C 13 53.926 0.3 . 1 . . . . B 34 CYS CA . 34232 2 409 . 2 2 34 34 CYS CB C 13 38.449 0.3 . 1 . . . . B 34 CYS CB . 34232 2 410 . 2 2 34 34 CYS N N 15 118.849 0.3 . 1 . . . . B 34 CYS N . 34232 2 411 . 2 2 35 35 SER H H 1 8.755 0.020 . 1 . . . . B 35 SER H . 34232 2 412 . 2 2 35 35 SER HA H 1 4.129 0.020 . 1 . . . . B 35 SER HA . 34232 2 413 . 2 2 35 35 SER HB2 H 1 3.887 0.020 . 2 . . . . B 35 SER HB2 . 34232 2 414 . 2 2 35 35 SER HB3 H 1 4.103 0.020 . 2 . . . . B 35 SER HB3 . 34232 2 415 . 2 2 35 35 SER C C 13 173.948 0.3 . 1 . . . . B 35 SER C . 34232 2 416 . 2 2 35 35 SER CA C 13 61.168 0.3 . 1 . . . . B 35 SER CA . 34232 2 417 . 2 2 35 35 SER CB C 13 63.293 0.3 . 1 . . . . B 35 SER CB . 34232 2 418 . 2 2 35 35 SER N N 15 118.428 0.3 . 1 . . . . B 35 SER N . 34232 2 419 . 2 2 36 36 ASN H H 1 8.195 0.020 . 1 . . . . B 36 ASN H . 34232 2 420 . 2 2 36 36 ASN HA H 1 5.250 0.020 . 1 . . . . B 36 ASN HA . 34232 2 421 . 2 2 36 36 ASN HB2 H 1 2.485 0.020 . 2 . . . . B 36 ASN HB2 . 34232 2 422 . 2 2 36 36 ASN HB3 H 1 2.530 0.020 . 2 . . . . B 36 ASN HB3 . 34232 2 423 . 2 2 36 36 ASN HD21 H 1 6.979 0.020 . 1 . . . . B 36 ASN HD21 . 34232 2 424 . 2 2 36 36 ASN HD22 H 1 7.077 0.020 . 1 . . . . B 36 ASN HD22 . 34232 2 425 . 2 2 36 36 ASN CA C 13 49.788 0.3 . 1 . . . . B 36 ASN CA . 34232 2 426 . 2 2 36 36 ASN CB C 13 39.257 0.3 . 1 . . . . B 36 ASN CB . 34232 2 427 . 2 2 36 36 ASN N N 15 118.137 0.3 . 1 . . . . B 36 ASN N . 34232 2 428 . 2 2 36 36 ASN ND2 N 15 113.262 0.3 . 1 . . . . B 36 ASN ND2 . 34232 2 429 . 2 2 37 37 PRO HA H 1 4.439 0.020 . 1 . . . . B 37 PRO HA . 34232 2 430 . 2 2 37 37 PRO HB2 H 1 2.276 0.020 . 2 . . . . B 37 PRO HB2 . 34232 2 431 . 2 2 37 37 PRO HB3 H 1 1.845 0.020 . 2 . . . . B 37 PRO HB3 . 34232 2 432 . 2 2 37 37 PRO HG2 H 1 2.024 0.020 . 2 . . . . B 37 PRO HG2 . 34232 2 433 . 2 2 37 37 PRO HG3 H 1 2.108 0.020 . 2 . . . . B 37 PRO HG3 . 34232 2 434 . 2 2 37 37 PRO HD2 H 1 3.731 0.020 . 2 . . . . B 37 PRO HD2 . 34232 2 435 . 2 2 37 37 PRO HD3 H 1 3.920 0.020 . 2 . . . . B 37 PRO HD3 . 34232 2 436 . 2 2 37 37 PRO C C 13 176.279 0.3 . 1 . . . . B 37 PRO C . 34232 2 437 . 2 2 37 37 PRO CA C 13 62.601 0.3 . 1 . . . . B 37 PRO CA . 34232 2 438 . 2 2 37 37 PRO CB C 13 32.088 0.3 . 1 . . . . B 37 PRO CB . 34232 2 439 . 2 2 37 37 PRO CG C 13 27.159 0.3 . 1 . . . . B 37 PRO CG . 34232 2 440 . 2 2 37 37 PRO CD C 13 50.575 0.3 . 1 . . . . B 37 PRO CD . 34232 2 441 . 2 2 38 38 ALA H H 1 8.061 0.020 . 1 . . . . B 38 ALA H . 34232 2 442 . 2 2 38 38 ALA HA H 1 4.923 0.020 . 1 . . . . B 38 ALA HA . 34232 2 443 . 2 2 38 38 ALA HB1 H 1 1.618 0.020 . 1 . . . . B 38 ALA HB1 . 34232 2 444 . 2 2 38 38 ALA HB2 H 1 1.618 0.020 . 1 . . . . B 38 ALA HB2 . 34232 2 445 . 2 2 38 38 ALA HB3 H 1 1.618 0.020 . 1 . . . . B 38 ALA HB3 . 34232 2 446 . 2 2 38 38 ALA C C 13 175.379 0.3 . 1 . . . . B 38 ALA C . 34232 2 447 . 2 2 38 38 ALA CA C 13 52.352 0.3 . 1 . . . . B 38 ALA CA . 34232 2 448 . 2 2 38 38 ALA CB C 13 24.394 0.3 . 1 . . . . B 38 ALA CB . 34232 2 449 . 2 2 38 38 ALA N N 15 121.921 0.3 . 1 . . . . B 38 ALA N . 34232 2 450 . 2 2 39 39 VAL H H 1 8.169 0.020 . 1 . . . . B 39 VAL H . 34232 2 451 . 2 2 39 39 VAL HA H 1 4.256 0.020 . 1 . . . . B 39 VAL HA . 34232 2 452 . 2 2 39 39 VAL HB H 1 1.197 0.020 . 1 . . . . B 39 VAL HB . 34232 2 453 . 2 2 39 39 VAL HG11 H 1 0.233 0.020 . 1 . . . . B 39 VAL HG11 . 34232 2 454 . 2 2 39 39 VAL HG12 H 1 0.233 0.020 . 1 . . . . B 39 VAL HG12 . 34232 2 455 . 2 2 39 39 VAL HG13 H 1 0.233 0.020 . 1 . . . . B 39 VAL HG13 . 34232 2 456 . 2 2 39 39 VAL HG21 H 1 -0.079 0.020 . 1 . . . . B 39 VAL HG21 . 34232 2 457 . 2 2 39 39 VAL HG22 H 1 -0.079 0.020 . 1 . . . . B 39 VAL HG22 . 34232 2 458 . 2 2 39 39 VAL HG23 H 1 -0.079 0.020 . 1 . . . . B 39 VAL HG23 . 34232 2 459 . 2 2 39 39 VAL C C 13 172.066 0.3 . 1 . . . . B 39 VAL C . 34232 2 460 . 2 2 39 39 VAL CA C 13 59.911 0.3 . 1 . . . . B 39 VAL CA . 34232 2 461 . 2 2 39 39 VAL CB C 13 34.226 0.3 . 1 . . . . B 39 VAL CB . 34232 2 462 . 2 2 39 39 VAL CG1 C 13 21.825 0.3 . 1 . . . . B 39 VAL CG1 . 34232 2 463 . 2 2 39 39 VAL CG2 C 13 20.401 0.3 . 1 . . . . B 39 VAL CG2 . 34232 2 464 . 2 2 39 39 VAL N N 15 119.788 0.3 . 1 . . . . B 39 VAL N . 34232 2 465 . 2 2 40 40 VAL H H 1 8.764 0.020 . 1 . . . . B 40 VAL H . 34232 2 466 . 2 2 40 40 VAL HA H 1 4.463 0.020 . 1 . . . . B 40 VAL HA . 34232 2 467 . 2 2 40 40 VAL HB H 1 0.253 0.020 . 1 . . . . B 40 VAL HB . 34232 2 468 . 2 2 40 40 VAL HG11 H 1 0.457 0.020 . 1 . . . . B 40 VAL HG11 . 34232 2 469 . 2 2 40 40 VAL HG12 H 1 0.457 0.020 . 1 . . . . B 40 VAL HG12 . 34232 2 470 . 2 2 40 40 VAL HG13 H 1 0.457 0.020 . 1 . . . . B 40 VAL HG13 . 34232 2 471 . 2 2 40 40 VAL HG21 H 1 0.465 0.020 . 1 . . . . B 40 VAL HG21 . 34232 2 472 . 2 2 40 40 VAL HG22 H 1 0.465 0.020 . 1 . . . . B 40 VAL HG22 . 34232 2 473 . 2 2 40 40 VAL HG23 H 1 0.465 0.020 . 1 . . . . B 40 VAL HG23 . 34232 2 474 . 2 2 40 40 VAL C C 13 175.800 0.3 . 1 . . . . B 40 VAL C . 34232 2 475 . 2 2 40 40 VAL CA C 13 59.564 0.3 . 1 . . . . B 40 VAL CA . 34232 2 476 . 2 2 40 40 VAL CB C 13 31.669 0.3 . 1 . . . . B 40 VAL CB . 34232 2 477 . 2 2 40 40 VAL CG1 C 13 22.354 0.3 . 1 . . . . B 40 VAL CG1 . 34232 2 478 . 2 2 40 40 VAL CG2 C 13 22.068 0.3 . 1 . . . . B 40 VAL CG2 . 34232 2 479 . 2 2 40 40 VAL N N 15 126.339 0.3 . 1 . . . . B 40 VAL N . 34232 2 480 . 2 2 41 41 PHE H H 1 8.949 0.020 . 1 . . . . B 41 PHE H . 34232 2 481 . 2 2 41 41 PHE HA H 1 5.151 0.020 . 1 . . . . B 41 PHE HA . 34232 2 482 . 2 2 41 41 PHE HB2 H 1 2.787 0.020 . 2 . . . . B 41 PHE HB2 . 34232 2 483 . 2 2 41 41 PHE HB3 H 1 2.983 0.020 . 2 . . . . B 41 PHE HB3 . 34232 2 484 . 2 2 41 41 PHE HD1 H 1 7.188 0.020 . 1 . . . . B 41 PHE HD1 . 34232 2 485 . 2 2 41 41 PHE HD2 H 1 7.188 0.020 . 1 . . . . B 41 PHE HD2 . 34232 2 486 . 2 2 41 41 PHE HE1 H 1 6.849 0.020 . 1 . . . . B 41 PHE HE1 . 34232 2 487 . 2 2 41 41 PHE HE2 H 1 6.849 0.020 . 1 . . . . B 41 PHE HE2 . 34232 2 488 . 2 2 41 41 PHE HZ H 1 7.075 0.020 . 1 . . . . B 41 PHE HZ . 34232 2 489 . 2 2 41 41 PHE C C 13 174.491 0.3 . 1 . . . . B 41 PHE C . 34232 2 490 . 2 2 41 41 PHE CA C 13 56.440 0.3 . 1 . . . . B 41 PHE CA . 34232 2 491 . 2 2 41 41 PHE CB C 13 40.640 0.3 . 1 . . . . B 41 PHE CB . 34232 2 492 . 2 2 41 41 PHE CD1 C 13 131.370 0.3 . 1 . . . . B 41 PHE CD1 . 34232 2 493 . 2 2 41 41 PHE CD2 C 13 131.370 0.3 . 1 . . . . B 41 PHE CD2 . 34232 2 494 . 2 2 41 41 PHE CE1 C 13 130.871 0.3 . 1 . . . . B 41 PHE CE1 . 34232 2 495 . 2 2 41 41 PHE CE2 C 13 130.871 0.3 . 1 . . . . B 41 PHE CE2 . 34232 2 496 . 2 2 41 41 PHE CZ C 13 129.113 0.3 . 1 . . . . B 41 PHE CZ . 34232 2 497 . 2 2 41 41 PHE N N 15 122.810 0.3 . 1 . . . . B 41 PHE N . 34232 2 498 . 2 2 42 42 VAL H H 1 8.837 0.020 . 1 . . . . B 42 VAL H . 34232 2 499 . 2 2 42 42 VAL HA H 1 5.136 0.020 . 1 . . . . B 42 VAL HA . 34232 2 500 . 2 2 42 42 VAL HB H 1 2.022 0.020 . 1 . . . . B 42 VAL HB . 34232 2 501 . 2 2 42 42 VAL HG11 H 1 1.168 0.020 . 1 . . . . B 42 VAL HG11 . 34232 2 502 . 2 2 42 42 VAL HG12 H 1 1.168 0.020 . 1 . . . . B 42 VAL HG12 . 34232 2 503 . 2 2 42 42 VAL HG13 H 1 1.168 0.020 . 1 . . . . B 42 VAL HG13 . 34232 2 504 . 2 2 42 42 VAL HG21 H 1 1.052 0.020 . 1 . . . . B 42 VAL HG21 . 34232 2 505 . 2 2 42 42 VAL HG22 H 1 1.052 0.020 . 1 . . . . B 42 VAL HG22 . 34232 2 506 . 2 2 42 42 VAL HG23 H 1 1.052 0.020 . 1 . . . . B 42 VAL HG23 . 34232 2 507 . 2 2 42 42 VAL C C 13 177.527 0.3 . 1 . . . . B 42 VAL C . 34232 2 508 . 2 2 42 42 VAL CA C 13 60.714 0.3 . 1 . . . . B 42 VAL CA . 34232 2 509 . 2 2 42 42 VAL CB C 13 32.583 0.3 . 1 . . . . B 42 VAL CB . 34232 2 510 . 2 2 42 42 VAL CG1 C 13 21.042 0.3 . 1 . . . . B 42 VAL CG1 . 34232 2 511 . 2 2 42 42 VAL CG2 C 13 21.074 0.3 . 1 . . . . B 42 VAL CG2 . 34232 2 512 . 2 2 42 42 VAL N N 15 122.824 0.3 . 1 . . . . B 42 VAL N . 34232 2 513 . 2 2 43 43 THR H H 1 9.401 0.020 . 1 . . . . B 43 THR H . 34232 2 514 . 2 2 43 43 THR HA H 1 5.425 0.020 . 1 . . . . B 43 THR HA . 34232 2 515 . 2 2 43 43 THR HB H 1 5.062 0.020 . 1 . . . . B 43 THR HB . 34232 2 516 . 2 2 43 43 THR HG21 H 1 1.331 0.020 . 1 . . . . B 43 THR HG21 . 34232 2 517 . 2 2 43 43 THR HG22 H 1 1.331 0.020 . 1 . . . . B 43 THR HG22 . 34232 2 518 . 2 2 43 43 THR HG23 H 1 1.331 0.020 . 1 . . . . B 43 THR HG23 . 34232 2 519 . 2 2 43 43 THR C C 13 176.865 0.3 . 1 . . . . B 43 THR C . 34232 2 520 . 2 2 43 43 THR CA C 13 60.319 0.3 . 1 . . . . B 43 THR CA . 34232 2 521 . 2 2 43 43 THR CB C 13 71.547 0.3 . 1 . . . . B 43 THR CB . 34232 2 522 . 2 2 43 43 THR CG2 C 13 21.093 0.3 . 1 . . . . B 43 THR CG2 . 34232 2 523 . 2 2 43 43 THR N N 15 118.248 0.3 . 1 . . . . B 43 THR N . 34232 2 524 . 2 2 44 44 ARG H H 1 8.474 0.020 . 1 . . . . B 44 ARG H . 34232 2 525 . 2 2 44 44 ARG HA H 1 4.077 0.020 . 1 . . . . B 44 ARG HA . 34232 2 526 . 2 2 44 44 ARG HB2 H 1 1.867 0.020 . 2 . . . . B 44 ARG HB2 . 34232 2 527 . 2 2 44 44 ARG HB3 H 1 2.008 0.020 . 2 . . . . B 44 ARG HB3 . 34232 2 528 . 2 2 44 44 ARG HG2 H 1 1.672 0.020 . 2 . . . . B 44 ARG HG2 . 34232 2 529 . 2 2 44 44 ARG HG3 H 1 1.680 0.020 . 2 . . . . B 44 ARG HG3 . 34232 2 530 . 2 2 44 44 ARG HD2 H 1 3.252 0.020 . 2 . . . . B 44 ARG HD2 . 34232 2 531 . 2 2 44 44 ARG HD3 H 1 3.163 0.020 . 2 . . . . B 44 ARG HD3 . 34232 2 532 . 2 2 44 44 ARG C C 13 176.929 0.3 . 1 . . . . B 44 ARG C . 34232 2 533 . 2 2 44 44 ARG CA C 13 58.579 0.3 . 1 . . . . B 44 ARG CA . 34232 2 534 . 2 2 44 44 ARG CB C 13 29.399 0.3 . 1 . . . . B 44 ARG CB . 34232 2 535 . 2 2 44 44 ARG CG C 13 28.676 0.3 . 1 . . . . B 44 ARG CG . 34232 2 536 . 2 2 44 44 ARG CD C 13 43.004 0.3 . 1 . . . . B 44 ARG CD . 34232 2 537 . 2 2 44 44 ARG N N 15 118.576 0.3 . 1 . . . . B 44 ARG N . 34232 2 538 . 2 2 45 45 LYS H H 1 7.559 0.020 . 1 . . . . B 45 LYS H . 34232 2 539 . 2 2 45 45 LYS HA H 1 4.461 0.020 . 1 . . . . B 45 LYS HA . 34232 2 540 . 2 2 45 45 LYS HB2 H 1 1.658 0.020 . 2 . . . . B 45 LYS HB2 . 34232 2 541 . 2 2 45 45 LYS HB3 H 1 2.075 0.020 . 2 . . . . B 45 LYS HB3 . 34232 2 542 . 2 2 45 45 LYS HG2 H 1 1.393 0.020 . 2 . . . . B 45 LYS HG2 . 34232 2 543 . 2 2 45 45 LYS HG3 H 1 1.430 0.020 . 2 . . . . B 45 LYS HG3 . 34232 2 544 . 2 2 45 45 LYS HD2 H 1 1.676 0.020 . 2 . . . . B 45 LYS HD2 . 34232 2 545 . 2 2 45 45 LYS HD3 H 1 1.665 0.020 . 2 . . . . B 45 LYS HD3 . 34232 2 546 . 2 2 45 45 LYS HE2 H 1 2.942 0.020 . 2 . . . . B 45 LYS HE2 . 34232 2 547 . 2 2 45 45 LYS HE3 H 1 3.022 0.020 . 2 . . . . B 45 LYS HE3 . 34232 2 548 . 2 2 45 45 LYS C C 13 174.804 0.3 . 1 . . . . B 45 LYS C . 34232 2 549 . 2 2 45 45 LYS CA C 13 55.513 0.3 . 1 . . . . B 45 LYS CA . 34232 2 550 . 2 2 45 45 LYS CB C 13 31.134 0.3 . 1 . . . . B 45 LYS CB . 34232 2 551 . 2 2 45 45 LYS CG C 13 24.618 0.3 . 1 . . . . B 45 LYS CG . 34232 2 552 . 2 2 45 45 LYS CD C 13 28.566 0.3 . 1 . . . . B 45 LYS CD . 34232 2 553 . 2 2 45 45 LYS CE C 13 42.033 0.3 . 1 . . . . B 45 LYS CE . 34232 2 554 . 2 2 45 45 LYS N N 15 117.232 0.3 . 1 . . . . B 45 LYS N . 34232 2 555 . 2 2 46 46 ASN H H 1 8.315 0.020 . 1 . . . . B 46 ASN H . 34232 2 556 . 2 2 46 46 ASN HA H 1 4.300 0.020 . 1 . . . . B 46 ASN HA . 34232 2 557 . 2 2 46 46 ASN HB2 H 1 2.943 0.020 . 2 . . . . B 46 ASN HB2 . 34232 2 558 . 2 2 46 46 ASN HB3 H 1 3.099 0.020 . 2 . . . . B 46 ASN HB3 . 34232 2 559 . 2 2 46 46 ASN HD21 H 1 6.866 0.020 . 1 . . . . B 46 ASN HD21 . 34232 2 560 . 2 2 46 46 ASN HD22 H 1 7.456 0.020 . 1 . . . . B 46 ASN HD22 . 34232 2 561 . 2 2 46 46 ASN C C 13 174.390 0.3 . 1 . . . . B 46 ASN C . 34232 2 562 . 2 2 46 46 ASN CA C 13 54.495 0.3 . 1 . . . . B 46 ASN CA . 34232 2 563 . 2 2 46 46 ASN CB C 13 36.248 0.3 . 1 . . . . B 46 ASN CB . 34232 2 564 . 2 2 46 46 ASN N N 15 114.843 0.3 . 1 . . . . B 46 ASN N . 34232 2 565 . 2 2 46 46 ASN ND2 N 15 112.778 0.3 . 1 . . . . B 46 ASN ND2 . 34232 2 566 . 2 2 47 47 ARG H H 1 7.313 0.020 . 1 . . . . B 47 ARG H . 34232 2 567 . 2 2 47 47 ARG HA H 1 4.595 0.020 . 1 . . . . B 47 ARG HA . 34232 2 568 . 2 2 47 47 ARG HB2 H 1 1.708 0.020 . 2 . . . . B 47 ARG HB2 . 34232 2 569 . 2 2 47 47 ARG HB3 H 1 1.841 0.020 . 2 . . . . B 47 ARG HB3 . 34232 2 570 . 2 2 47 47 ARG HG2 H 1 1.492 0.020 . 1 . . . . B 47 ARG HG2 . 34232 2 571 . 2 2 47 47 ARG HG3 H 1 1.492 0.020 . 1 . . . . B 47 ARG HG3 . 34232 2 572 . 2 2 47 47 ARG HD2 H 1 3.056 0.020 . 2 . . . . B 47 ARG HD2 . 34232 2 573 . 2 2 47 47 ARG HD3 H 1 3.167 0.020 . 2 . . . . B 47 ARG HD3 . 34232 2 574 . 2 2 47 47 ARG C C 13 175.023 0.3 . 1 . . . . B 47 ARG C . 34232 2 575 . 2 2 47 47 ARG CA C 13 55.082 0.3 . 1 . . . . B 47 ARG CA . 34232 2 576 . 2 2 47 47 ARG CB C 13 31.042 0.3 . 1 . . . . B 47 ARG CB . 34232 2 577 . 2 2 47 47 ARG CG C 13 27.246 0.3 . 1 . . . . B 47 ARG CG . 34232 2 578 . 2 2 47 47 ARG CD C 13 43.416 0.3 . 1 . . . . B 47 ARG CD . 34232 2 579 . 2 2 47 47 ARG N N 15 116.984 0.3 . 1 . . . . B 47 ARG N . 34232 2 580 . 2 2 48 48 GLN H H 1 8.555 0.020 . 1 . . . . B 48 GLN H . 34232 2 581 . 2 2 48 48 GLN HA H 1 5.187 0.020 . 1 . . . . B 48 GLN HA . 34232 2 582 . 2 2 48 48 GLN HB2 H 1 1.868 0.020 . 2 . . . . B 48 GLN HB2 . 34232 2 583 . 2 2 48 48 GLN HB3 H 1 2.055 0.020 . 2 . . . . B 48 GLN HB3 . 34232 2 584 . 2 2 48 48 GLN HG2 H 1 2.157 0.020 . 2 . . . . B 48 GLN HG2 . 34232 2 585 . 2 2 48 48 GLN HG3 H 1 2.568 0.020 . 2 . . . . B 48 GLN HG3 . 34232 2 586 . 2 2 48 48 GLN HE21 H 1 6.786 0.020 . 1 . . . . B 48 GLN HE21 . 34232 2 587 . 2 2 48 48 GLN HE22 H 1 7.316 0.020 . 1 . . . . B 48 GLN HE22 . 34232 2 588 . 2 2 48 48 GLN C C 13 175.553 0.3 . 1 . . . . B 48 GLN C . 34232 2 589 . 2 2 48 48 GLN CA C 13 55.100 0.3 . 1 . . . . B 48 GLN CA . 34232 2 590 . 2 2 48 48 GLN CB C 13 29.652 0.3 . 1 . . . . B 48 GLN CB . 34232 2 591 . 2 2 48 48 GLN CG C 13 34.239 0.3 . 1 . . . . B 48 GLN CG . 34232 2 592 . 2 2 48 48 GLN N N 15 121.192 0.3 . 1 . . . . B 48 GLN N . 34232 2 593 . 2 2 48 48 GLN NE2 N 15 108.842 0.3 . 1 . . . . B 48 GLN NE2 . 34232 2 594 . 2 2 49 49 VAL H H 1 9.195 0.020 . 1 . . . . B 49 VAL H . 34232 2 595 . 2 2 49 49 VAL HA H 1 4.538 0.020 . 1 . . . . B 49 VAL HA . 34232 2 596 . 2 2 49 49 VAL HB H 1 2.187 0.020 . 1 . . . . B 49 VAL HB . 34232 2 597 . 2 2 49 49 VAL HG11 H 1 1.100 0.020 . 1 . . . . B 49 VAL HG11 . 34232 2 598 . 2 2 49 49 VAL HG12 H 1 1.100 0.020 . 1 . . . . B 49 VAL HG12 . 34232 2 599 . 2 2 49 49 VAL HG13 H 1 1.100 0.020 . 1 . . . . B 49 VAL HG13 . 34232 2 600 . 2 2 49 49 VAL HG21 H 1 0.975 0.020 . 1 . . . . B 49 VAL HG21 . 34232 2 601 . 2 2 49 49 VAL HG22 H 1 0.975 0.020 . 1 . . . . B 49 VAL HG22 . 34232 2 602 . 2 2 49 49 VAL HG23 H 1 0.975 0.020 . 1 . . . . B 49 VAL HG23 . 34232 2 603 . 2 2 49 49 VAL C C 13 174.456 0.3 . 1 . . . . B 49 VAL C . 34232 2 604 . 2 2 49 49 VAL CA C 13 60.519 0.3 . 1 . . . . B 49 VAL CA . 34232 2 605 . 2 2 49 49 VAL CB C 13 34.785 0.3 . 1 . . . . B 49 VAL CB . 34232 2 606 . 2 2 49 49 VAL CG1 C 13 22.229 0.3 . 1 . . . . B 49 VAL CG1 . 34232 2 607 . 2 2 49 49 VAL CG2 C 13 20.509 0.3 . 1 . . . . B 49 VAL CG2 . 34232 2 608 . 2 2 49 49 VAL N N 15 121.630 0.3 . 1 . . . . B 49 VAL N . 34232 2 609 . 2 2 50 50 CYS H H 1 8.781 0.020 . 1 . . . . B 50 CYS H . 34232 2 610 . 2 2 50 50 CYS HA H 1 5.012 0.020 . 1 . . . . B 50 CYS HA . 34232 2 611 . 2 2 50 50 CYS HB2 H 1 2.789 0.020 . 2 . . . . B 50 CYS HB2 . 34232 2 612 . 2 2 50 50 CYS HB3 H 1 3.886 0.020 . 2 . . . . B 50 CYS HB3 . 34232 2 613 . 2 2 50 50 CYS C C 13 173.655 0.3 . 1 . . . . B 50 CYS C . 34232 2 614 . 2 2 50 50 CYS CA C 13 57.854 0.3 . 1 . . . . B 50 CYS CA . 34232 2 615 . 2 2 50 50 CYS CB C 13 48.399 0.3 . 1 . . . . B 50 CYS CB . 34232 2 616 . 2 2 50 50 CYS N N 15 124.733 0.3 . 1 . . . . B 50 CYS N . 34232 2 617 . 2 2 51 51 ALA H H 1 9.754 0.020 . 1 . . . . B 51 ALA H . 34232 2 618 . 2 2 51 51 ALA HA H 1 4.957 0.020 . 1 . . . . B 51 ALA HA . 34232 2 619 . 2 2 51 51 ALA HB1 H 1 1.218 0.020 . 1 . . . . B 51 ALA HB1 . 34232 2 620 . 2 2 51 51 ALA HB2 H 1 1.218 0.020 . 1 . . . . B 51 ALA HB2 . 34232 2 621 . 2 2 51 51 ALA HB3 H 1 1.218 0.020 . 1 . . . . B 51 ALA HB3 . 34232 2 622 . 2 2 51 51 ALA C C 13 174.109 0.3 . 1 . . . . B 51 ALA C . 34232 2 623 . 2 2 51 51 ALA CA C 13 50.655 0.3 . 1 . . . . B 51 ALA CA . 34232 2 624 . 2 2 51 51 ALA CB C 13 23.657 0.3 . 1 . . . . B 51 ALA CB . 34232 2 625 . 2 2 51 51 ALA N N 15 124.623 0.3 . 1 . . . . B 51 ALA N . 34232 2 626 . 2 2 52 52 ASN H H 1 8.242 0.020 . 1 . . . . B 52 ASN H . 34232 2 627 . 2 2 52 52 ASN HA H 1 4.117 0.020 . 1 . . . . B 52 ASN HA . 34232 2 628 . 2 2 52 52 ASN HB2 H 1 1.384 0.020 . 2 . . . . B 52 ASN HB2 . 34232 2 629 . 2 2 52 52 ASN HB3 H 1 2.545 0.020 . 2 . . . . B 52 ASN HB3 . 34232 2 630 . 2 2 52 52 ASN HD21 H 1 6.976 0.020 . 1 . . . . B 52 ASN HD21 . 34232 2 631 . 2 2 52 52 ASN HD22 H 1 7.156 0.020 . 1 . . . . B 52 ASN HD22 . 34232 2 632 . 2 2 52 52 ASN CA C 13 49.896 0.3 . 1 . . . . B 52 ASN CA . 34232 2 633 . 2 2 52 52 ASN CB C 13 38.640 0.3 . 1 . . . . B 52 ASN CB . 34232 2 634 . 2 2 52 52 ASN N N 15 120.179 0.3 . 1 . . . . B 52 ASN N . 34232 2 635 . 2 2 52 52 ASN ND2 N 15 111.140 0.3 . 1 . . . . B 52 ASN ND2 . 34232 2 636 . 2 2 53 53 PRO HA H 1 3.881 0.020 . 1 . . . . B 53 PRO HA . 34232 2 637 . 2 2 53 53 PRO HB2 H 1 2.016 0.020 . 1 . . . . B 53 PRO HB2 . 34232 2 638 . 2 2 53 53 PRO HB3 H 1 2.016 0.020 . 1 . . . . B 53 PRO HB3 . 34232 2 639 . 2 2 53 53 PRO HG2 H 1 1.754 0.020 . 2 . . . . B 53 PRO HG2 . 34232 2 640 . 2 2 53 53 PRO HG3 H 1 1.926 0.020 . 2 . . . . B 53 PRO HG3 . 34232 2 641 . 2 2 53 53 PRO HD2 H 1 3.726 0.020 . 2 . . . . B 53 PRO HD2 . 34232 2 642 . 2 2 53 53 PRO HD3 H 1 4.095 0.020 . 2 . . . . B 53 PRO HD3 . 34232 2 643 . 2 2 53 53 PRO C C 13 175.358 0.3 . 1 . . . . B 53 PRO C . 34232 2 644 . 2 2 53 53 PRO CA C 13 63.645 0.3 . 1 . . . . B 53 PRO CA . 34232 2 645 . 2 2 53 53 PRO CB C 13 31.967 0.3 . 1 . . . . B 53 PRO CB . 34232 2 646 . 2 2 53 53 PRO CG C 13 26.625 0.3 . 1 . . . . B 53 PRO CG . 34232 2 647 . 2 2 53 53 PRO CD C 13 50.512 0.3 . 1 . . . . B 53 PRO CD . 34232 2 648 . 2 2 54 54 GLU H H 1 7.630 0.020 . 1 . . . . B 54 GLU H . 34232 2 649 . 2 2 54 54 GLU HA H 1 4.071 0.020 . 1 . . . . B 54 GLU HA . 34232 2 650 . 2 2 54 54 GLU HB2 H 1 1.707 0.020 . 2 . . . . B 54 GLU HB2 . 34232 2 651 . 2 2 54 54 GLU HB3 H 1 2.003 0.020 . 2 . . . . B 54 GLU HB3 . 34232 2 652 . 2 2 54 54 GLU HG2 H 1 2.171 0.020 . 2 . . . . B 54 GLU HG2 . 34232 2 653 . 2 2 54 54 GLU HG3 H 1 2.301 0.020 . 2 . . . . B 54 GLU HG3 . 34232 2 654 . 2 2 54 54 GLU C C 13 177.624 0.3 . 1 . . . . B 54 GLU C . 34232 2 655 . 2 2 54 54 GLU CA C 13 56.223 0.3 . 1 . . . . B 54 GLU CA . 34232 2 656 . 2 2 54 54 GLU CB C 13 29.490 0.3 . 1 . . . . B 54 GLU CB . 34232 2 657 . 2 2 54 54 GLU CG C 13 35.432 0.3 . 1 . . . . B 54 GLU CG . 34232 2 658 . 2 2 54 54 GLU N N 15 114.570 0.3 . 1 . . . . B 54 GLU N . 34232 2 659 . 2 2 55 55 LYS H H 1 7.317 0.020 . 1 . . . . B 55 LYS H . 34232 2 660 . 2 2 55 55 LYS HA H 1 4.220 0.020 . 1 . . . . B 55 LYS HA . 34232 2 661 . 2 2 55 55 LYS HB2 H 1 1.524 0.020 . 2 . . . . B 55 LYS HB2 . 34232 2 662 . 2 2 55 55 LYS HB3 H 1 1.512 0.020 . 2 . . . . B 55 LYS HB3 . 34232 2 663 . 2 2 55 55 LYS HG2 H 1 1.223 0.020 . 2 . . . . B 55 LYS HG2 . 34232 2 664 . 2 2 55 55 LYS HG3 H 1 1.612 0.020 . 2 . . . . B 55 LYS HG3 . 34232 2 665 . 2 2 55 55 LYS HD2 H 1 1.760 0.020 . 2 . . . . B 55 LYS HD2 . 34232 2 666 . 2 2 55 55 LYS HD3 H 1 1.743 0.020 . 2 . . . . B 55 LYS HD3 . 34232 2 667 . 2 2 55 55 LYS HE2 H 1 2.968 0.020 . 2 . . . . B 55 LYS HE2 . 34232 2 668 . 2 2 55 55 LYS HE3 H 1 3.123 0.020 . 2 . . . . B 55 LYS HE3 . 34232 2 669 . 2 2 55 55 LYS C C 13 177.402 0.3 . 1 . . . . B 55 LYS C . 34232 2 670 . 2 2 55 55 LYS CA C 13 54.027 0.3 . 1 . . . . B 55 LYS CA . 34232 2 671 . 2 2 55 55 LYS CB C 13 31.817 0.3 . 1 . . . . B 55 LYS CB . 34232 2 672 . 2 2 55 55 LYS CG C 13 24.458 0.3 . 1 . . . . B 55 LYS CG . 34232 2 673 . 2 2 55 55 LYS CD C 13 27.961 0.3 . 1 . . . . B 55 LYS CD . 34232 2 674 . 2 2 55 55 LYS CE C 13 41.851 0.3 . 1 . . . . B 55 LYS CE . 34232 2 675 . 2 2 55 55 LYS N N 15 118.106 0.3 . 1 . . . . B 55 LYS N . 34232 2 676 . 2 2 56 56 LYS H H 1 8.743 0.020 . 1 . . . . B 56 LYS H . 34232 2 677 . 2 2 56 56 LYS HA H 1 3.810 0.020 . 1 . . . . B 56 LYS HA . 34232 2 678 . 2 2 56 56 LYS HB2 H 1 1.930 0.020 . 1 . . . . B 56 LYS HB2 . 34232 2 679 . 2 2 56 56 LYS HB3 H 1 1.930 0.020 . 1 . . . . B 56 LYS HB3 . 34232 2 680 . 2 2 56 56 LYS HG2 H 1 1.378 0.020 . 2 . . . . B 56 LYS HG2 . 34232 2 681 . 2 2 56 56 LYS HG3 H 1 1.484 0.020 . 2 . . . . B 56 LYS HG3 . 34232 2 682 . 2 2 56 56 LYS HD2 H 1 1.704 0.020 . 1 . . . . B 56 LYS HD2 . 34232 2 683 . 2 2 56 56 LYS HD3 H 1 1.704 0.020 . 1 . . . . B 56 LYS HD3 . 34232 2 684 . 2 2 56 56 LYS HE2 H 1 3.112 0.020 . 2 . . . . B 56 LYS HE2 . 34232 2 685 . 2 2 56 56 LYS HE3 H 1 3.152 0.020 . 2 . . . . B 56 LYS HE3 . 34232 2 686 . 2 2 56 56 LYS C C 13 178.708 0.3 . 1 . . . . B 56 LYS C . 34232 2 687 . 2 2 56 56 LYS CA C 13 60.294 0.3 . 1 . . . . B 56 LYS CA . 34232 2 688 . 2 2 56 56 LYS CB C 13 31.967 0.3 . 1 . . . . B 56 LYS CB . 34232 2 689 . 2 2 56 56 LYS CG C 13 24.879 0.3 . 1 . . . . B 56 LYS CG . 34232 2 690 . 2 2 56 56 LYS CD C 13 29.296 0.3 . 1 . . . . B 56 LYS CD . 34232 2 691 . 2 2 56 56 LYS CE C 13 41.806 0.3 . 1 . . . . B 56 LYS CE . 34232 2 692 . 2 2 56 56 LYS N N 15 125.131 0.3 . 1 . . . . B 56 LYS N . 34232 2 693 . 2 2 57 57 TRP H H 1 8.145 0.020 . 1 . . . . B 57 TRP H . 34232 2 694 . 2 2 57 57 TRP HA H 1 4.342 0.020 . 1 . . . . B 57 TRP HA . 34232 2 695 . 2 2 57 57 TRP HB2 H 1 3.114 0.020 . 2 . . . . B 57 TRP HB2 . 34232 2 696 . 2 2 57 57 TRP HB3 H 1 3.097 0.020 . 2 . . . . B 57 TRP HB3 . 34232 2 697 . 2 2 57 57 TRP HD1 H 1 7.606 0.020 . 1 . . . . B 57 TRP HD1 . 34232 2 698 . 2 2 57 57 TRP HE1 H 1 10.246 0.020 . 1 . . . . B 57 TRP HE1 . 34232 2 699 . 2 2 57 57 TRP HE3 H 1 6.283 0.020 . 1 . . . . B 57 TRP HE3 . 34232 2 700 . 2 2 57 57 TRP HZ2 H 1 7.148 0.020 . 1 . . . . B 57 TRP HZ2 . 34232 2 701 . 2 2 57 57 TRP HZ3 H 1 6.292 0.020 . 1 . . . . B 57 TRP HZ3 . 34232 2 702 . 2 2 57 57 TRP HH2 H 1 6.738 0.020 . 1 . . . . B 57 TRP HH2 . 34232 2 703 . 2 2 57 57 TRP C C 13 176.511 0.3 . 1 . . . . B 57 TRP C . 34232 2 704 . 2 2 57 57 TRP CA C 13 59.004 0.3 . 1 . . . . B 57 TRP CA . 34232 2 705 . 2 2 57 57 TRP CB C 13 26.394 0.3 . 1 . . . . B 57 TRP CB . 34232 2 706 . 2 2 57 57 TRP CD1 C 13 127.881 0.3 . 1 . . . . B 57 TRP CD1 . 34232 2 707 . 2 2 57 57 TRP CE3 C 13 121.280 0.3 . 1 . . . . B 57 TRP CE3 . 34232 2 708 . 2 2 57 57 TRP CZ2 C 13 114.679 0.3 . 1 . . . . B 57 TRP CZ2 . 34232 2 709 . 2 2 57 57 TRP CZ3 C 13 121.056 0.3 . 1 . . . . B 57 TRP CZ3 . 34232 2 710 . 2 2 57 57 TRP CH2 C 13 122.956 0.3 . 1 . . . . B 57 TRP CH2 . 34232 2 711 . 2 2 57 57 TRP N N 15 115.363 0.3 . 1 . . . . B 57 TRP N . 34232 2 712 . 2 2 57 57 TRP NE1 N 15 129.063 0.3 . 1 . . . . B 57 TRP NE1 . 34232 2 713 . 2 2 58 58 VAL H H 1 5.710 0.020 . 1 . . . . B 58 VAL H . 34232 2 714 . 2 2 58 58 VAL HA H 1 2.732 0.020 . 1 . . . . B 58 VAL HA . 34232 2 715 . 2 2 58 58 VAL HB H 1 1.686 0.020 . 1 . . . . B 58 VAL HB . 34232 2 716 . 2 2 58 58 VAL HG11 H 1 0.370 0.020 . 1 . . . . B 58 VAL HG11 . 34232 2 717 . 2 2 58 58 VAL HG12 H 1 0.370 0.020 . 1 . . . . B 58 VAL HG12 . 34232 2 718 . 2 2 58 58 VAL HG13 H 1 0.370 0.020 . 1 . . . . B 58 VAL HG13 . 34232 2 719 . 2 2 58 58 VAL HG21 H 1 -0.803 0.020 . 1 . . . . B 58 VAL HG21 . 34232 2 720 . 2 2 58 58 VAL HG22 H 1 -0.803 0.020 . 1 . . . . B 58 VAL HG22 . 34232 2 721 . 2 2 58 58 VAL HG23 H 1 -0.803 0.020 . 1 . . . . B 58 VAL HG23 . 34232 2 722 . 2 2 58 58 VAL C C 13 177.338 0.3 . 1 . . . . B 58 VAL C . 34232 2 723 . 2 2 58 58 VAL CA C 13 65.695 0.3 . 1 . . . . B 58 VAL CA . 34232 2 724 . 2 2 58 58 VAL CB C 13 30.651 0.3 . 1 . . . . B 58 VAL CB . 34232 2 725 . 2 2 58 58 VAL CG1 C 13 21.203 0.3 . 1 . . . . B 58 VAL CG1 . 34232 2 726 . 2 2 58 58 VAL CG2 C 13 20.804 0.3 . 1 . . . . B 58 VAL CG2 . 34232 2 727 . 2 2 58 58 VAL N N 15 122.309 0.3 . 1 . . . . B 58 VAL N . 34232 2 728 . 2 2 59 59 ARG H H 1 7.244 0.020 . 1 . . . . B 59 ARG H . 34232 2 729 . 2 2 59 59 ARG HA H 1 3.807 0.020 . 1 . . . . B 59 ARG HA . 34232 2 730 . 2 2 59 59 ARG HB2 H 1 1.700 0.020 . 2 . . . . B 59 ARG HB2 . 34232 2 731 . 2 2 59 59 ARG HB3 H 1 1.868 0.020 . 2 . . . . B 59 ARG HB3 . 34232 2 732 . 2 2 59 59 ARG HG2 H 1 1.547 0.020 . 2 . . . . B 59 ARG HG2 . 34232 2 733 . 2 2 59 59 ARG HG3 H 1 1.727 0.020 . 2 . . . . B 59 ARG HG3 . 34232 2 734 . 2 2 59 59 ARG HD2 H 1 3.127 0.020 . 2 . . . . B 59 ARG HD2 . 34232 2 735 . 2 2 59 59 ARG HD3 H 1 3.157 0.020 . 2 . . . . B 59 ARG HD3 . 34232 2 736 . 2 2 59 59 ARG C C 13 178.927 0.3 . 1 . . . . B 59 ARG C . 34232 2 737 . 2 2 59 59 ARG CA C 13 59.182 0.3 . 1 . . . . B 59 ARG CA . 34232 2 738 . 2 2 59 59 ARG CB C 13 29.406 0.3 . 1 . . . . B 59 ARG CB . 34232 2 739 . 2 2 59 59 ARG CG C 13 27.382 0.3 . 1 . . . . B 59 ARG CG . 34232 2 740 . 2 2 59 59 ARG CD C 13 43.187 0.3 . 1 . . . . B 59 ARG CD . 34232 2 741 . 2 2 59 59 ARG N N 15 118.337 0.3 . 1 . . . . B 59 ARG N . 34232 2 742 . 2 2 60 60 GLU H H 1 8.339 0.020 . 1 . . . . B 60 GLU H . 34232 2 743 . 2 2 60 60 GLU HA H 1 4.093 0.020 . 1 . . . . B 60 GLU HA . 34232 2 744 . 2 2 60 60 GLU HB2 H 1 2.195 0.020 . 2 . . . . B 60 GLU HB2 . 34232 2 745 . 2 2 60 60 GLU HB3 H 1 2.303 0.020 . 2 . . . . B 60 GLU HB3 . 34232 2 746 . 2 2 60 60 GLU HG2 H 1 2.340 0.020 . 2 . . . . B 60 GLU HG2 . 34232 2 747 . 2 2 60 60 GLU HG3 H 1 2.547 0.020 . 2 . . . . B 60 GLU HG3 . 34232 2 748 . 2 2 60 60 GLU C C 13 179.695 0.3 . 1 . . . . B 60 GLU C . 34232 2 749 . 2 2 60 60 GLU CA C 13 59.022 0.3 . 1 . . . . B 60 GLU CA . 34232 2 750 . 2 2 60 60 GLU CB C 13 28.908 0.3 . 1 . . . . B 60 GLU CB . 34232 2 751 . 2 2 60 60 GLU CG C 13 35.985 0.3 . 1 . . . . B 60 GLU CG . 34232 2 752 . 2 2 60 60 GLU N N 15 118.431 0.3 . 1 . . . . B 60 GLU N . 34232 2 753 . 2 2 61 61 TYR H H 1 8.537 0.020 . 1 . . . . B 61 TYR H . 34232 2 754 . 2 2 61 61 TYR HA H 1 4.340 0.020 . 1 . . . . B 61 TYR HA . 34232 2 755 . 2 2 61 61 TYR HB2 H 1 2.808 0.020 . 2 . . . . B 61 TYR HB2 . 34232 2 756 . 2 2 61 61 TYR HB3 H 1 3.567 0.020 . 2 . . . . B 61 TYR HB3 . 34232 2 757 . 2 2 61 61 TYR HD1 H 1 6.853 0.020 . 1 . . . . B 61 TYR HD1 . 34232 2 758 . 2 2 61 61 TYR HD2 H 1 6.853 0.020 . 1 . . . . B 61 TYR HD2 . 34232 2 759 . 2 2 61 61 TYR HE1 H 1 6.737 0.020 . 1 . . . . B 61 TYR HE1 . 34232 2 760 . 2 2 61 61 TYR HE2 H 1 6.737 0.020 . 1 . . . . B 61 TYR HE2 . 34232 2 761 . 2 2 61 61 TYR C C 13 178.823 0.3 . 1 . . . . B 61 TYR C . 34232 2 762 . 2 2 61 61 TYR CA C 13 59.901 0.3 . 1 . . . . B 61 TYR CA . 34232 2 763 . 2 2 61 61 TYR CB C 13 37.097 0.3 . 1 . . . . B 61 TYR CB . 34232 2 764 . 2 2 61 61 TYR CD1 C 13 131.023 0.3 . 1 . . . . B 61 TYR CD1 . 34232 2 765 . 2 2 61 61 TYR CD2 C 13 131.023 0.3 . 1 . . . . B 61 TYR CD2 . 34232 2 766 . 2 2 61 61 TYR CE1 C 13 117.201 0.3 . 1 . . . . B 61 TYR CE1 . 34232 2 767 . 2 2 61 61 TYR CE2 C 13 117.201 0.3 . 1 . . . . B 61 TYR CE2 . 34232 2 768 . 2 2 61 61 TYR N N 15 122.134 0.3 . 1 . . . . B 61 TYR N . 34232 2 769 . 2 2 62 62 ILE H H 1 8.405 0.020 . 1 . . . . B 62 ILE H . 34232 2 770 . 2 2 62 62 ILE HA H 1 3.240 0.020 . 1 . . . . B 62 ILE HA . 34232 2 771 . 2 2 62 62 ILE HB H 1 1.691 0.020 . 1 . . . . B 62 ILE HB . 34232 2 772 . 2 2 62 62 ILE HG12 H 1 0.243 0.020 . 2 . . . . B 62 ILE HG12 . 34232 2 773 . 2 2 62 62 ILE HG13 H 1 1.505 0.020 . 2 . . . . B 62 ILE HG13 . 34232 2 774 . 2 2 62 62 ILE HG21 H 1 0.581 0.020 . 1 . . . . B 62 ILE HG21 . 34232 2 775 . 2 2 62 62 ILE HG22 H 1 0.581 0.020 . 1 . . . . B 62 ILE HG22 . 34232 2 776 . 2 2 62 62 ILE HG23 H 1 0.581 0.020 . 1 . . . . B 62 ILE HG23 . 34232 2 777 . 2 2 62 62 ILE HD11 H 1 0.532 0.020 . 1 . . . . B 62 ILE HD11 . 34232 2 778 . 2 2 62 62 ILE HD12 H 1 0.532 0.020 . 1 . . . . B 62 ILE HD12 . 34232 2 779 . 2 2 62 62 ILE HD13 H 1 0.532 0.020 . 1 . . . . B 62 ILE HD13 . 34232 2 780 . 2 2 62 62 ILE C C 13 178.373 0.3 . 1 . . . . B 62 ILE C . 34232 2 781 . 2 2 62 62 ILE CA C 13 65.740 0.3 . 1 . . . . B 62 ILE CA . 34232 2 782 . 2 2 62 62 ILE CB C 13 37.617 0.3 . 1 . . . . B 62 ILE CB . 34232 2 783 . 2 2 62 62 ILE CG1 C 13 27.961 0.3 . 1 . . . . B 62 ILE CG1 . 34232 2 784 . 2 2 62 62 ILE CG2 C 13 16.525 0.3 . 1 . . . . B 62 ILE CG2 . 34232 2 785 . 2 2 62 62 ILE CD1 C 13 13.788 0.3 . 1 . . . . B 62 ILE CD1 . 34232 2 786 . 2 2 62 62 ILE N N 15 119.584 0.3 . 1 . . . . B 62 ILE N . 34232 2 787 . 2 2 63 63 ASN H H 1 7.989 0.020 . 1 . . . . B 63 ASN H . 34232 2 788 . 2 2 63 63 ASN HA H 1 4.497 0.020 . 1 . . . . B 63 ASN HA . 34232 2 789 . 2 2 63 63 ASN HB2 H 1 2.901 0.020 . 2 . . . . B 63 ASN HB2 . 34232 2 790 . 2 2 63 63 ASN HB3 H 1 2.909 0.020 . 2 . . . . B 63 ASN HB3 . 34232 2 791 . 2 2 63 63 ASN HD21 H 1 6.801 0.020 . 1 . . . . B 63 ASN HD21 . 34232 2 792 . 2 2 63 63 ASN HD22 H 1 7.591 0.020 . 1 . . . . B 63 ASN HD22 . 34232 2 793 . 2 2 63 63 ASN C C 13 177.005 0.3 . 1 . . . . B 63 ASN C . 34232 2 794 . 2 2 63 63 ASN CA C 13 55.762 0.3 . 1 . . . . B 63 ASN CA . 34232 2 795 . 2 2 63 63 ASN CB C 13 38.107 0.3 . 1 . . . . B 63 ASN CB . 34232 2 796 . 2 2 63 63 ASN N N 15 118.488 0.3 . 1 . . . . B 63 ASN N . 34232 2 797 . 2 2 63 63 ASN ND2 N 15 111.588 0.3 . 1 . . . . B 63 ASN ND2 . 34232 2 798 . 2 2 64 64 SER H H 1 7.919 0.020 . 1 . . . . B 64 SER H . 34232 2 799 . 2 2 64 64 SER HA H 1 4.461 0.020 . 1 . . . . B 64 SER HA . 34232 2 800 . 2 2 64 64 SER HB2 H 1 3.886 0.020 . 2 . . . . B 64 SER HB2 . 34232 2 801 . 2 2 64 64 SER HB3 H 1 4.083 0.020 . 2 . . . . B 64 SER HB3 . 34232 2 802 . 2 2 64 64 SER C C 13 175.640 0.3 . 1 . . . . B 64 SER C . 34232 2 803 . 2 2 64 64 SER CA C 13 60.165 0.3 . 1 . . . . B 64 SER CA . 34232 2 804 . 2 2 64 64 SER CB C 13 63.968 0.3 . 1 . . . . B 64 SER CB . 34232 2 805 . 2 2 64 64 SER N N 15 114.166 0.3 . 1 . . . . B 64 SER N . 34232 2 806 . 2 2 65 65 LEU H H 1 7.950 0.020 . 1 . . . . B 65 LEU H . 34232 2 807 . 2 2 65 65 LEU HA H 1 4.367 0.020 . 1 . . . . B 65 LEU HA . 34232 2 808 . 2 2 65 65 LEU HB2 H 1 1.776 0.020 . 2 . . . . B 65 LEU HB2 . 34232 2 809 . 2 2 65 65 LEU HB3 H 1 1.947 0.020 . 2 . . . . B 65 LEU HB3 . 34232 2 810 . 2 2 65 65 LEU HG H 1 1.694 0.020 . 1 . . . . B 65 LEU HG . 34232 2 811 . 2 2 65 65 LEU HD11 H 1 0.860 0.020 . 1 . . . . B 65 LEU HD11 . 34232 2 812 . 2 2 65 65 LEU HD12 H 1 0.860 0.020 . 1 . . . . B 65 LEU HD12 . 34232 2 813 . 2 2 65 65 LEU HD13 H 1 0.860 0.020 . 1 . . . . B 65 LEU HD13 . 34232 2 814 . 2 2 65 65 LEU HD21 H 1 0.832 0.020 . 1 . . . . B 65 LEU HD21 . 34232 2 815 . 2 2 65 65 LEU HD22 H 1 0.832 0.020 . 1 . . . . B 65 LEU HD22 . 34232 2 816 . 2 2 65 65 LEU HD23 H 1 0.832 0.020 . 1 . . . . B 65 LEU HD23 . 34232 2 817 . 2 2 65 65 LEU C C 13 177.559 0.3 . 1 . . . . B 65 LEU C . 34232 2 818 . 2 2 65 65 LEU CA C 13 55.944 0.3 . 1 . . . . B 65 LEU CA . 34232 2 819 . 2 2 65 65 LEU CB C 13 43.163 0.3 . 1 . . . . B 65 LEU CB . 34232 2 820 . 2 2 65 65 LEU CG C 13 27.139 0.3 . 1 . . . . B 65 LEU CG . 34232 2 821 . 2 2 65 65 LEU CD1 C 13 26.323 0.3 . 1 . . . . B 65 LEU CD1 . 34232 2 822 . 2 2 65 65 LEU CD2 C 13 23.236 0.3 . 1 . . . . B 65 LEU CD2 . 34232 2 823 . 2 2 65 65 LEU N N 15 122.486 0.3 . 1 . . . . B 65 LEU N . 34232 2 824 . 2 2 66 66 SER H H 1 7.989 0.020 . 1 . . . . B 66 SER H . 34232 2 825 . 2 2 66 66 SER HA H 1 4.700 0.020 . 1 . . . . B 66 SER HA . 34232 2 826 . 2 2 66 66 SER HB2 H 1 4.072 0.020 . 2 . . . . B 66 SER HB2 . 34232 2 827 . 2 2 66 66 SER HB3 H 1 4.079 0.020 . 2 . . . . B 66 SER HB3 . 34232 2 828 . 2 2 66 66 SER C C 13 174.013 0.3 . 1 . . . . B 66 SER C . 34232 2 829 . 2 2 66 66 SER CA C 13 58.926 0.3 . 1 . . . . B 66 SER CA . 34232 2 830 . 2 2 66 66 SER CB C 13 64.018 0.3 . 1 . . . . B 66 SER CB . 34232 2 831 . 2 2 66 66 SER N N 15 114.557 0.3 . 1 . . . . B 66 SER N . 34232 2 832 . 2 2 67 67 MET H H 1 7.997 0.020 . 1 . . . . B 67 MET H . 34232 2 833 . 2 2 67 67 MET HA H 1 4.591 0.020 . 1 . . . . B 67 MET HA . 34232 2 834 . 2 2 67 67 MET HB2 H 1 2.086 0.020 . 2 . . . . B 67 MET HB2 . 34232 2 835 . 2 2 67 67 MET HB3 H 1 2.241 0.020 . 2 . . . . B 67 MET HB3 . 34232 2 836 . 2 2 67 67 MET HG2 H 1 2.642 0.020 . 1 . . . . B 67 MET HG2 . 34232 2 837 . 2 2 67 67 MET HG3 H 1 2.642 0.020 . 1 . . . . B 67 MET HG3 . 34232 2 838 . 2 2 67 67 MET HE1 H 1 2.156 0.020 . 1 . . . . B 67 MET HE1 . 34232 2 839 . 2 2 67 67 MET HE2 H 1 2.156 0.020 . 1 . . . . B 67 MET HE2 . 34232 2 840 . 2 2 67 67 MET HE3 H 1 2.156 0.020 . 1 . . . . B 67 MET HE3 . 34232 2 841 . 2 2 67 67 MET C C 13 175.331 0.3 . 1 . . . . B 67 MET C . 34232 2 842 . 2 2 67 67 MET CA C 13 55.553 0.3 . 1 . . . . B 67 MET CA . 34232 2 843 . 2 2 67 67 MET CB C 13 33.332 0.3 . 1 . . . . B 67 MET CB . 34232 2 844 . 2 2 67 67 MET CG C 13 31.959 0.3 . 1 . . . . B 67 MET CG . 34232 2 845 . 2 2 67 67 MET CE C 13 16.827 0.3 . 1 . . . . B 67 MET CE . 34232 2 846 . 2 2 67 67 MET N N 15 121.701 0.3 . 1 . . . . B 67 MET N . 34232 2 847 . 2 2 68 68 SER H H 1 7.937 0.020 . 1 . . . . B 68 SER H . 34232 2 848 . 2 2 68 68 SER HA H 1 4.345 0.020 . 1 . . . . B 68 SER HA . 34232 2 849 . 2 2 68 68 SER HB2 H 1 3.882 0.020 . 2 . . . . B 68 SER HB2 . 34232 2 850 . 2 2 68 68 SER HB3 H 1 3.893 0.020 . 2 . . . . B 68 SER HB3 . 34232 2 851 . 2 2 68 68 SER CA C 13 59.684 0.3 . 1 . . . . B 68 SER CA . 34232 2 852 . 2 2 68 68 SER CB C 13 64.770 0.3 . 1 . . . . B 68 SER CB . 34232 2 853 . 2 2 68 68 SER N N 15 122.116 0.3 . 1 . . . . B 68 SER N . 34232 2 stop_ save_