################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18191 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 6 '3D CBCA(CO)NH' . . . 18191 1 7 '3D HNCO' . . . 18191 1 8 '3D HNCA' . . . 18191 1 9 '3D HNCACB' . . . 18191 1 10 '3D HN(CO)CA' . . . 18191 1 11 '3D HCCH-TOCSY' . . . 18191 1 12 '3D 1H-15N NOESY' . . . 18191 1 13 '3D 1H-13C NOESY aliphatic' . . . 18191 1 14 '3D HNCACO' . . . 18191 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 171.5602 0.3 . 1 . . . . 1 GLY C . 18191 1 2 . 1 1 1 1 GLY CA C 13 43.4570 0.3 . 1 . . . . 1 GLY CA . 18191 1 3 . 1 1 1 1 GLY N N 15 110.5600 0.2 . 1 . . . . 1 GLY N . 18191 1 4 . 1 1 2 2 LYS H H 1 7.2255 0.05 . 1 . . . . 2 LYS H . 18191 1 5 . 1 1 2 2 LYS HB2 H 1 1.8423 0.05 . 2 . . . . 2 LYS HB2 . 18191 1 6 . 1 1 2 2 LYS HB3 H 1 1.7057 0.05 . 2 . . . . 2 LYS HB3 . 18191 1 7 . 1 1 2 2 LYS HG2 H 1 1.4325 0.05 . 2 . . . . 2 LYS HG2 . 18191 1 8 . 1 1 2 2 LYS HD2 H 1 1.7164 0.05 . 2 . . . . 2 LYS HD2 . 18191 1 9 . 1 1 2 2 LYS HD3 H 1 1.5761 0.05 . 2 . . . . 2 LYS HD3 . 18191 1 10 . 1 1 2 2 LYS HE2 H 1 2.9848 0.05 . 2 . . . . 2 LYS HE2 . 18191 1 11 . 1 1 2 2 LYS C C 13 176.9841 0.3 . 1 . . . . 2 LYS C . 18191 1 12 . 1 1 2 2 LYS CA C 13 56.6470 0.3 . 1 . . . . 2 LYS CA . 18191 1 13 . 1 1 2 2 LYS CB C 13 31.5034 0.3 . 1 . . . . 2 LYS CB . 18191 1 14 . 1 1 2 2 LYS CG C 13 24.7398 0.3 . 1 . . . . 2 LYS CG . 18191 1 15 . 1 1 2 2 LYS CD C 13 27.9160 0.3 . 1 . . . . 2 LYS CD . 18191 1 16 . 1 1 2 2 LYS CE C 13 42.1034 0.3 . 1 . . . . 2 LYS CE . 18191 1 17 . 1 1 2 2 LYS N N 15 110.7338 0.2 . 1 . . . . 2 LYS N . 18191 1 18 . 1 1 3 3 GLN H H 1 8.7325 0.05 . 1 . . . . 3 GLN H . 18191 1 19 . 1 1 3 3 GLN HA H 1 4.3121 0.05 . 1 . . . . 3 GLN HA . 18191 1 20 . 1 1 3 3 GLN HB3 H 1 2.0130 0.05 . 2 . . . . 3 GLN HB3 . 18191 1 21 . 1 1 3 3 GLN HG2 H 1 2.3850 0.05 . 2 . . . . 3 GLN HG2 . 18191 1 22 . 1 1 3 3 GLN HG3 H 1 2.0888 0.05 . 2 . . . . 3 GLN HG3 . 18191 1 23 . 1 1 3 3 GLN C C 13 176.1453 0.3 . 1 . . . . 3 GLN C . 18191 1 24 . 1 1 3 3 GLN CA C 13 56.2088 0.3 . 1 . . . . 3 GLN CA . 18191 1 25 . 1 1 3 3 GLN CB C 13 29.2540 0.3 . 1 . . . . 3 GLN CB . 18191 1 26 . 1 1 3 3 GLN CG C 13 29.3310 0.3 . 1 . . . . 3 GLN CG . 18191 1 27 . 1 1 3 3 GLN N N 15 122.4224 0.2 . 1 . . . . 3 GLN N . 18191 1 28 . 1 1 4 4 GLN H H 1 8.5782 0.05 . 1 . . . . 4 GLN H . 18191 1 29 . 1 1 4 4 GLN HA H 1 4.3041 0.05 . 1 . . . . 4 GLN HA . 18191 1 30 . 1 1 4 4 GLN HB2 H 1 1.9970 0.05 . 2 . . . . 4 GLN HB2 . 18191 1 31 . 1 1 4 4 GLN HG2 H 1 2.3830 0.05 . 2 . . . . 4 GLN HG2 . 18191 1 32 . 1 1 4 4 GLN HG3 H 1 2.0890 0.05 . 2 . . . . 4 GLN HG3 . 18191 1 33 . 1 1 4 4 GLN HE21 H 1 7.5380 0.05 . 2 . . . . 4 GLN HE21 . 18191 1 34 . 1 1 4 4 GLN HE22 H 1 6.9150 0.05 . 2 . . . . 4 GLN HE22 . 18191 1 35 . 1 1 4 4 GLN C C 13 176.2430 0.3 . 1 . . . . 4 GLN C . 18191 1 36 . 1 1 4 4 GLN CA C 13 56.1258 0.3 . 1 . . . . 4 GLN CA . 18191 1 37 . 1 1 4 4 GLN CB C 13 29.3790 0.3 . 1 . . . . 4 GLN CB . 18191 1 38 . 1 1 4 4 GLN CG C 13 30.3702 0.3 . 1 . . . . 4 GLN CG . 18191 1 39 . 1 1 4 4 GLN N N 15 122.2676 0.2 . 1 . . . . 4 GLN N . 18191 1 40 . 1 1 5 5 GLU H H 1 8.6167 0.05 . 1 . . . . 5 GLU H . 18191 1 41 . 1 1 5 5 GLU HA H 1 4.3221 0.05 . 1 . . . . 5 GLU HA . 18191 1 42 . 1 1 5 5 GLU HB2 H 1 1.9720 0.05 . 2 . . . . 5 GLU HB2 . 18191 1 43 . 1 1 5 5 GLU HG2 H 1 2.3062 0.05 . 2 . . . . 5 GLU HG2 . 18191 1 44 . 1 1 5 5 GLU HG3 H 1 2.1065 0.05 . 2 . . . . 5 GLU HG3 . 18191 1 45 . 1 1 5 5 GLU C C 13 176.7807 0.3 . 1 . . . . 5 GLU C . 18191 1 46 . 1 1 5 5 GLU CA C 13 56.8318 0.3 . 1 . . . . 5 GLU CA . 18191 1 47 . 1 1 5 5 GLU CB C 13 30.3850 0.3 . 1 . . . . 5 GLU CB . 18191 1 48 . 1 1 5 5 GLU CG C 13 32.8343 0.3 . 1 . . . . 5 GLU CG . 18191 1 49 . 1 1 5 5 GLU N N 15 123.0754 0.2 . 1 . . . . 5 GLU N . 18191 1 50 . 1 1 6 6 SER H H 1 8.5032 0.05 . 1 . . . . 6 SER H . 18191 1 51 . 1 1 6 6 SER HA H 1 4.4614 0.05 . 1 . . . . 6 SER HA . 18191 1 52 . 1 1 6 6 SER HB2 H 1 3.9535 0.05 . 2 . . . . 6 SER HB2 . 18191 1 53 . 1 1 6 6 SER HB3 H 1 3.9230 0.05 . 2 . . . . 6 SER HB3 . 18191 1 54 . 1 1 6 6 SER C C 13 174.7110 0.3 . 1 . . . . 6 SER C . 18191 1 55 . 1 1 6 6 SER CA C 13 58.5832 0.3 . 1 . . . . 6 SER CA . 18191 1 56 . 1 1 6 6 SER CB C 13 63.6896 0.3 . 1 . . . . 6 SER CB . 18191 1 57 . 1 1 6 6 SER N N 15 117.0464 0.2 . 1 . . . . 6 SER N . 18191 1 58 . 1 1 7 7 SER H H 1 8.4253 0.05 . 1 . . . . 7 SER H . 18191 1 59 . 1 1 7 7 SER HA H 1 4.4714 0.05 . 1 . . . . 7 SER HA . 18191 1 60 . 1 1 7 7 SER HB2 H 1 3.8950 0.05 . 2 . . . . 7 SER HB2 . 18191 1 61 . 1 1 7 7 SER HB3 H 1 3.8328 0.05 . 2 . . . . 7 SER HB3 . 18191 1 62 . 1 1 7 7 SER C C 13 174.2362 0.3 . 1 . . . . 7 SER C . 18191 1 63 . 1 1 7 7 SER CA C 13 58.4309 0.3 . 1 . . . . 7 SER CA . 18191 1 64 . 1 1 7 7 SER CB C 13 63.8353 0.3 . 1 . . . . 7 SER CB . 18191 1 65 . 1 1 7 7 SER N N 15 117.9602 0.2 . 1 . . . . 7 SER N . 18191 1 66 . 1 1 8 8 GLN H H 1 8.3477 0.05 . 1 . . . . 8 GLN H . 18191 1 67 . 1 1 8 8 GLN HA H 1 4.3058 0.05 . 1 . . . . 8 GLN HA . 18191 1 68 . 1 1 8 8 GLN HB2 H 1 1.9915 0.05 . 2 . . . . 8 GLN HB2 . 18191 1 69 . 1 1 8 8 GLN HB3 H 1 1.9098 0.05 . 2 . . . . 8 GLN HB3 . 18191 1 70 . 1 1 8 8 GLN HG2 H 1 2.2867 0.05 . 2 . . . . 8 GLN HG2 . 18191 1 71 . 1 1 8 8 GLN HG3 H 1 2.2066 0.05 . 2 . . . . 8 GLN HG3 . 18191 1 72 . 1 1 8 8 GLN HE21 H 1 7.5360 0.05 . 2 . . . . 8 GLN HE21 . 18191 1 73 . 1 1 8 8 GLN HE22 H 1 6.9830 0.05 . 2 . . . . 8 GLN HE22 . 18191 1 74 . 1 1 8 8 GLN C C 13 175.2591 0.3 . 1 . . . . 8 GLN C . 18191 1 75 . 1 1 8 8 GLN CA C 13 56.1382 0.3 . 1 . . . . 8 GLN CA . 18191 1 76 . 1 1 8 8 GLN CB C 13 29.5469 0.3 . 1 . . . . 8 GLN CB . 18191 1 77 . 1 1 8 8 GLN CG C 13 33.8108 0.3 . 1 . . . . 8 GLN CG . 18191 1 78 . 1 1 8 8 GLN N N 15 121.9975 0.2 . 1 . . . . 8 GLN N . 18191 1 79 . 1 1 9 9 TYR H H 1 8.4876 0.05 . 1 . . . . 9 TYR H . 18191 1 80 . 1 1 9 9 TYR HA H 1 4.8670 0.05 . 1 . . . . 9 TYR HA . 18191 1 81 . 1 1 9 9 TYR HB2 H 1 2.7503 0.05 . 2 . . . . 9 TYR HB2 . 18191 1 82 . 1 1 9 9 TYR HB3 H 1 2.5724 0.05 . 2 . . . . 9 TYR HB3 . 18191 1 83 . 1 1 9 9 TYR HD1 H 1 6.8360 0.05 . 3 . . . . 9 TYR HD1 . 18191 1 84 . 1 1 9 9 TYR HD2 H 1 6.8260 0.05 . 3 . . . . 9 TYR HD2 . 18191 1 85 . 1 1 9 9 TYR HE1 H 1 6.7750 0.05 . 3 . . . . 9 TYR HE1 . 18191 1 86 . 1 1 9 9 TYR HE2 H 1 6.7670 0.05 . 3 . . . . 9 TYR HE2 . 18191 1 87 . 1 1 9 9 TYR C C 13 174.9028 0.3 . 1 . . . . 9 TYR C . 18191 1 88 . 1 1 9 9 TYR CA C 13 57.3820 0.3 . 1 . . . . 9 TYR CA . 18191 1 89 . 1 1 9 9 TYR CB C 13 41.0640 0.3 . 1 . . . . 9 TYR CB . 18191 1 90 . 1 1 9 9 TYR N N 15 121.0359 0.2 . 1 . . . . 9 TYR N . 18191 1 91 . 1 1 10 10 ILE H H 1 9.3434 0.05 . 1 . . . . 10 ILE H . 18191 1 92 . 1 1 10 10 ILE HA H 1 4.3242 0.05 . 1 . . . . 10 ILE HA . 18191 1 93 . 1 1 10 10 ILE HB H 1 1.6340 0.05 . 1 . . . . 10 ILE HB . 18191 1 94 . 1 1 10 10 ILE HG12 H 1 1.4337 0.05 . 2 . . . . 10 ILE HG12 . 18191 1 95 . 1 1 10 10 ILE HG13 H 1 1.2322 0.05 . 2 . . . . 10 ILE HG13 . 18191 1 96 . 1 1 10 10 ILE HG21 H 1 0.9111 0.05 . 1 . . . . 10 ILE HG21 . 18191 1 97 . 1 1 10 10 ILE HG22 H 1 0.9111 0.05 . 1 . . . . 10 ILE HG21 . 18191 1 98 . 1 1 10 10 ILE HG23 H 1 0.9111 0.05 . 1 . . . . 10 ILE HG21 . 18191 1 99 . 1 1 10 10 ILE HD11 H 1 0.8782 0.05 . 1 . . . . 10 ILE HD11 . 18191 1 100 . 1 1 10 10 ILE HD12 H 1 0.8782 0.05 . 1 . . . . 10 ILE HD11 . 18191 1 101 . 1 1 10 10 ILE HD13 H 1 0.8782 0.05 . 1 . . . . 10 ILE HD11 . 18191 1 102 . 1 1 10 10 ILE C C 13 174.3941 0.3 . 1 . . . . 10 ILE C . 18191 1 103 . 1 1 10 10 ILE CA C 13 59.4112 0.3 . 1 . . . . 10 ILE CA . 18191 1 104 . 1 1 10 10 ILE CB C 13 41.0040 0.3 . 1 . . . . 10 ILE CB . 18191 1 105 . 1 1 10 10 ILE CG1 C 13 27.9580 0.3 . 1 . . . . 10 ILE CG1 . 18191 1 106 . 1 1 10 10 ILE CG2 C 13 18.0956 0.3 . 1 . . . . 10 ILE CG2 . 18191 1 107 . 1 1 10 10 ILE CD1 C 13 13.2384 0.3 . 1 . . . . 10 ILE CD1 . 18191 1 108 . 1 1 10 10 ILE N N 15 123.0350 0.2 . 1 . . . . 10 ILE N . 18191 1 109 . 1 1 11 11 HIS H H 1 8.8180 0.05 . 1 . . . . 11 HIS H . 18191 1 110 . 1 1 11 11 HIS HA H 1 4.8160 0.05 . 1 . . . . 11 HIS HA . 18191 1 111 . 1 1 11 11 HIS HB2 H 1 3.1308 0.05 . 2 . . . . 11 HIS HB2 . 18191 1 112 . 1 1 11 11 HIS HB3 H 1 3.0029 0.05 . 2 . . . . 11 HIS HB3 . 18191 1 113 . 1 1 11 11 HIS HD1 H 1 6.9800 0.05 . 1 . . . . 11 HIS HD1 . 18191 1 114 . 1 1 11 11 HIS HD2 H 1 8.2300 0.05 . 1 . . . . 11 HIS HD2 . 18191 1 115 . 1 1 11 11 HIS HE1 H 1 8.2300 0.05 . 1 . . . . 11 HIS HE1 . 18191 1 116 . 1 1 11 11 HIS HE2 H 1 6.9800 0.05 . 1 . . . . 11 HIS HE2 . 18191 1 117 . 1 1 11 11 HIS C C 13 174.0311 0.3 . 1 . . . . 11 HIS C . 18191 1 118 . 1 1 11 11 HIS CA C 13 55.8560 0.3 . 1 . . . . 11 HIS CA . 18191 1 119 . 1 1 11 11 HIS CB C 13 29.1932 0.3 . 1 . . . . 11 HIS CB . 18191 1 120 . 1 1 11 11 HIS N N 15 125.6873 0.2 . 1 . . . . 11 HIS N . 18191 1 121 . 1 1 11 11 HIS ND1 N 15 183.0380 0.2 . 1 . . . . 11 HIS ND1 . 18191 1 122 . 1 1 11 11 HIS NE2 N 15 178.4760 0.2 . 1 . . . . 11 HIS NE2 . 18191 1 123 . 1 1 12 12 CYS H H 1 8.8430 0.05 . 1 . . . . 12 CYS H . 18191 1 124 . 1 1 12 12 CYS HA H 1 4.3636 0.05 . 1 . . . . 12 CYS HA . 18191 1 125 . 1 1 12 12 CYS HB2 H 1 2.7900 0.05 . 2 . . . . 12 CYS HB2 . 18191 1 126 . 1 1 12 12 CYS HB3 H 1 2.3920 0.05 . 2 . . . . 12 CYS HB3 . 18191 1 127 . 1 1 12 12 CYS C C 13 176.9071 0.3 . 1 . . . . 12 CYS C . 18191 1 128 . 1 1 12 12 CYS CA C 13 59.0178 0.3 . 1 . . . . 12 CYS CA . 18191 1 129 . 1 1 12 12 CYS CB C 13 30.0324 0.3 . 1 . . . . 12 CYS CB . 18191 1 130 . 1 1 12 12 CYS N N 15 131.3350 0.2 . 1 . . . . 12 CYS N . 18191 1 131 . 1 1 13 13 GLU H H 1 9.0254 0.05 . 1 . . . . 13 GLU H . 18191 1 132 . 1 1 13 13 GLU HA H 1 4.0952 0.05 . 1 . . . . 13 GLU HA . 18191 1 133 . 1 1 13 13 GLU HB2 H 1 2.1949 0.05 . 2 . . . . 13 GLU HB2 . 18191 1 134 . 1 1 13 13 GLU HB3 H 1 2.0426 0.05 . 2 . . . . 13 GLU HB3 . 18191 1 135 . 1 1 13 13 GLU HG3 H 1 2.4190 0.05 . 2 . . . . 13 GLU HG3 . 18191 1 136 . 1 1 13 13 GLU C C 13 177.0304 0.3 . 1 . . . . 13 GLU C . 18191 1 137 . 1 1 13 13 GLU CA C 13 57.9469 0.3 . 1 . . . . 13 GLU CA . 18191 1 138 . 1 1 13 13 GLU CB C 13 29.8124 0.3 . 1 . . . . 13 GLU CB . 18191 1 139 . 1 1 13 13 GLU CG C 13 36.1698 0.3 . 1 . . . . 13 GLU CG . 18191 1 140 . 1 1 13 13 GLU N N 15 128.9784 0.2 . 1 . . . . 13 GLU N . 18191 1 141 . 1 1 14 14 ASN H H 1 9.0232 0.05 . 1 . . . . 14 ASN H . 18191 1 142 . 1 1 14 14 ASN HA H 1 4.6397 0.05 . 1 . . . . 14 ASN HA . 18191 1 143 . 1 1 14 14 ASN HB2 H 1 3.0375 0.05 . 2 . . . . 14 ASN HB2 . 18191 1 144 . 1 1 14 14 ASN HB3 H 1 2.6907 0.05 . 2 . . . . 14 ASN HB3 . 18191 1 145 . 1 1 14 14 ASN HD21 H 1 7.9248 0.05 . 2 . . . . 14 ASN HD21 . 18191 1 146 . 1 1 14 14 ASN HD22 H 1 7.1580 0.05 . 2 . . . . 14 ASN HD22 . 18191 1 147 . 1 1 14 14 ASN C C 13 175.7296 0.3 . 1 . . . . 14 ASN C . 18191 1 148 . 1 1 14 14 ASN CA C 13 56.1090 0.3 . 1 . . . . 14 ASN CA . 18191 1 149 . 1 1 14 14 ASN CB C 13 39.7653 0.3 . 1 . . . . 14 ASN CB . 18191 1 150 . 1 1 14 14 ASN N N 15 120.6878 0.2 . 1 . . . . 14 ASN N . 18191 1 151 . 1 1 14 14 ASN ND2 N 15 119.6020 0.2 . 1 . . . . 14 ASN ND2 . 18191 1 152 . 1 1 15 15 CYS H H 1 7.9380 0.05 . 1 . . . . 15 CYS H . 18191 1 153 . 1 1 15 15 CYS HA H 1 4.9460 0.05 . 1 . . . . 15 CYS HA . 18191 1 154 . 1 1 15 15 CYS HB2 H 1 3.1790 0.05 . 2 . . . . 15 CYS HB2 . 18191 1 155 . 1 1 15 15 CYS HB3 H 1 2.7267 0.05 . 2 . . . . 15 CYS HB3 . 18191 1 156 . 1 1 15 15 CYS C C 13 176.7271 0.3 . 1 . . . . 15 CYS C . 18191 1 157 . 1 1 15 15 CYS CA C 13 57.7670 0.3 . 1 . . . . 15 CYS CA . 18191 1 158 . 1 1 15 15 CYS CB C 13 32.8231 0.3 . 1 . . . . 15 CYS CB . 18191 1 159 . 1 1 15 15 CYS N N 15 115.1372 0.2 . 1 . . . . 15 CYS N . 18191 1 160 . 1 1 16 16 GLY H H 1 8.0751 0.05 . 1 . . . . 16 GLY H . 18191 1 161 . 1 1 16 16 GLY HA2 H 1 4.1011 0.05 . 2 . . . . 16 GLY HA2 . 18191 1 162 . 1 1 16 16 GLY HA3 H 1 4.0756 0.05 . 2 . . . . 16 GLY HA3 . 18191 1 163 . 1 1 16 16 GLY C C 13 173.4848 0.3 . 1 . . . . 16 GLY C . 18191 1 164 . 1 1 16 16 GLY CA C 13 46.4297 0.3 . 1 . . . . 16 GLY CA . 18191 1 165 . 1 1 16 16 GLY N N 15 114.1773 0.2 . 1 . . . . 16 GLY N . 18191 1 166 . 1 1 17 17 ARG H H 1 8.0616 0.05 . 1 . . . . 17 ARG H . 18191 1 167 . 1 1 17 17 ARG HA H 1 4.3685 0.05 . 1 . . . . 17 ARG HA . 18191 1 168 . 1 1 17 17 ARG HB2 H 1 1.7080 0.05 . 2 . . . . 17 ARG HB2 . 18191 1 169 . 1 1 17 17 ARG HB3 H 1 1.6340 0.05 . 2 . . . . 17 ARG HB3 . 18191 1 170 . 1 1 17 17 ARG HG2 H 1 1.5711 0.05 . 2 . . . . 17 ARG HG2 . 18191 1 171 . 1 1 17 17 ARG HD2 H 1 3.2037 0.05 . 2 . . . . 17 ARG HD2 . 18191 1 172 . 1 1 17 17 ARG HE H 1 6.9600 0.05 . 1 . . . . 17 ARG HE . 18191 1 173 . 1 1 17 17 ARG C C 13 174.6971 0.3 . 1 . . . . 17 ARG C . 18191 1 174 . 1 1 17 17 ARG CA C 13 55.5659 0.3 . 1 . . . . 17 ARG CA . 18191 1 175 . 1 1 17 17 ARG CB C 13 31.8610 0.3 . 1 . . . . 17 ARG CB . 18191 1 176 . 1 1 17 17 ARG CG C 13 27.2496 0.3 . 1 . . . . 17 ARG CG . 18191 1 177 . 1 1 17 17 ARG CD C 13 43.4652 0.3 . 1 . . . . 17 ARG CD . 18191 1 178 . 1 1 17 17 ARG N N 15 120.9540 0.2 . 1 . . . . 17 ARG N . 18191 1 179 . 1 1 18 18 ASP H H 1 8.3561 0.05 . 1 . . . . 18 ASP H . 18191 1 180 . 1 1 18 18 ASP HA H 1 5.0987 0.05 . 1 . . . . 18 ASP HA . 18191 1 181 . 1 1 18 18 ASP HB2 H 1 2.3442 0.05 . 2 . . . . 18 ASP HB2 . 18191 1 182 . 1 1 18 18 ASP HB3 H 1 2.1374 0.05 . 2 . . . . 18 ASP HB3 . 18191 1 183 . 1 1 18 18 ASP C C 13 175.9272 0.3 . 1 . . . . 18 ASP C . 18191 1 184 . 1 1 18 18 ASP CA C 13 54.1426 0.3 . 1 . . . . 18 ASP CA . 18191 1 185 . 1 1 18 18 ASP CB C 13 41.3500 0.3 . 1 . . . . 18 ASP CB . 18191 1 186 . 1 1 18 18 ASP N N 15 120.4036 0.2 . 1 . . . . 18 ASP N . 18191 1 187 . 1 1 19 19 VAL H H 1 9.1286 0.05 . 1 . . . . 19 VAL H . 18191 1 188 . 1 1 19 19 VAL HA H 1 4.2043 0.05 . 1 . . . . 19 VAL HA . 18191 1 189 . 1 1 19 19 VAL HB H 1 1.7097 0.05 . 1 . . . . 19 VAL HB . 18191 1 190 . 1 1 19 19 VAL HG11 H 1 0.6426 0.05 . 2 . . . . 19 VAL HG11 . 18191 1 191 . 1 1 19 19 VAL HG12 H 1 0.6426 0.05 . 2 . . . . 19 VAL HG11 . 18191 1 192 . 1 1 19 19 VAL HG13 H 1 0.6426 0.05 . 2 . . . . 19 VAL HG11 . 18191 1 193 . 1 1 19 19 VAL HG21 H 1 0.1656 0.05 . 2 . . . . 19 VAL HG21 . 18191 1 194 . 1 1 19 19 VAL HG22 H 1 0.1656 0.05 . 2 . . . . 19 VAL HG21 . 18191 1 195 . 1 1 19 19 VAL HG23 H 1 0.1656 0.05 . 2 . . . . 19 VAL HG21 . 18191 1 196 . 1 1 19 19 VAL C C 13 175.1231 0.3 . 1 . . . . 19 VAL C . 18191 1 197 . 1 1 19 19 VAL CA C 13 60.3818 0.3 . 1 . . . . 19 VAL CA . 18191 1 198 . 1 1 19 19 VAL CB C 13 31.5163 0.3 . 1 . . . . 19 VAL CB . 18191 1 199 . 1 1 19 19 VAL CG1 C 13 20.5786 0.3 . 2 . . . . 19 VAL CG1 . 18191 1 200 . 1 1 19 19 VAL CG2 C 13 19.2812 0.3 . 2 . . . . 19 VAL CG2 . 18191 1 201 . 1 1 19 19 VAL N N 15 124.6613 0.2 . 1 . . . . 19 VAL N . 18191 1 202 . 1 1 20 20 SER H H 1 8.8981 0.05 . 1 . . . . 20 SER H . 18191 1 203 . 1 1 20 20 SER HA H 1 3.9832 0.05 . 1 . . . . 20 SER HA . 18191 1 204 . 1 1 20 20 SER HB2 H 1 3.7868 0.05 . 2 . . . . 20 SER HB2 . 18191 1 205 . 1 1 20 20 SER HB3 H 1 3.7339 0.05 . 2 . . . . 20 SER HB3 . 18191 1 206 . 1 1 20 20 SER C C 13 176.9400 0.3 . 1 . . . . 20 SER C . 18191 1 207 . 1 1 20 20 SER CA C 13 59.3598 0.3 . 1 . . . . 20 SER CA . 18191 1 208 . 1 1 20 20 SER CB C 13 63.4196 0.3 . 1 . . . . 20 SER CB . 18191 1 209 . 1 1 20 20 SER N N 15 122.5957 0.2 . 1 . . . . 20 SER N . 18191 1 210 . 1 1 21 21 ALA H H 1 8.6861 0.05 . 1 . . . . 21 ALA H . 18191 1 211 . 1 1 21 21 ALA HA H 1 3.8501 0.05 . 1 . . . . 21 ALA HA . 18191 1 212 . 1 1 21 21 ALA HB1 H 1 1.3629 0.05 . 1 . . . . 21 ALA HB1 . 18191 1 213 . 1 1 21 21 ALA HB2 H 1 1.3629 0.05 . 1 . . . . 21 ALA HB1 . 18191 1 214 . 1 1 21 21 ALA HB3 H 1 1.3629 0.05 . 1 . . . . 21 ALA HB1 . 18191 1 215 . 1 1 21 21 ALA C C 13 179.8187 0.3 . 1 . . . . 21 ALA C . 18191 1 216 . 1 1 21 21 ALA CA C 13 56.0770 0.3 . 1 . . . . 21 ALA CA . 18191 1 217 . 1 1 21 21 ALA CB C 13 18.3076 0.3 . 1 . . . . 21 ALA CB . 18191 1 218 . 1 1 21 21 ALA N N 15 128.1261 0.2 . 1 . . . . 21 ALA N . 18191 1 219 . 1 1 22 22 ASN H H 1 8.4729 0.05 . 1 . . . . 22 ASN H . 18191 1 220 . 1 1 22 22 ASN HA H 1 4.5583 0.05 . 1 . . . . 22 ASN HA . 18191 1 221 . 1 1 22 22 ASN HB2 H 1 2.9371 0.05 . 2 . . . . 22 ASN HB2 . 18191 1 222 . 1 1 22 22 ASN HB3 H 1 2.8411 0.05 . 2 . . . . 22 ASN HB3 . 18191 1 223 . 1 1 22 22 ASN HD21 H 1 7.7348 0.05 . 2 . . . . 22 ASN HD21 . 18191 1 224 . 1 1 22 22 ASN HD22 H 1 6.9832 0.05 . 2 . . . . 22 ASN HD22 . 18191 1 225 . 1 1 22 22 ASN C C 13 175.8651 0.3 . 1 . . . . 22 ASN C . 18191 1 226 . 1 1 22 22 ASN CA C 13 54.6898 0.3 . 1 . . . . 22 ASN CA . 18191 1 227 . 1 1 22 22 ASN CB C 13 37.3017 0.3 . 1 . . . . 22 ASN CB . 18191 1 228 . 1 1 22 22 ASN N N 15 113.5835 0.2 . 1 . . . . 22 ASN N . 18191 1 229 . 1 1 22 22 ASN ND2 N 15 112.8587 0.2 . 1 . . . . 22 ASN ND2 . 18191 1 230 . 1 1 23 23 ARG H H 1 7.8611 0.05 . 1 . . . . 23 ARG H . 18191 1 231 . 1 1 23 23 ARG HA H 1 4.7554 0.05 . 1 . . . . 23 ARG HA . 18191 1 232 . 1 1 23 23 ARG HB2 H 1 1.7231 0.05 . 2 . . . . 23 ARG HB2 . 18191 1 233 . 1 1 23 23 ARG HB3 H 1 1.6333 0.05 . 2 . . . . 23 ARG HB3 . 18191 1 234 . 1 1 23 23 ARG HG2 H 1 1.8710 0.05 . 2 . . . . 23 ARG HG2 . 18191 1 235 . 1 1 23 23 ARG HD2 H 1 3.2418 0.05 . 2 . . . . 23 ARG HD2 . 18191 1 236 . 1 1 23 23 ARG HE H 1 7.9170 0.05 . 1 . . . . 23 ARG HE . 18191 1 237 . 1 1 23 23 ARG C C 13 176.7659 0.3 . 1 . . . . 23 ARG C . 18191 1 238 . 1 1 23 23 ARG CA C 13 54.8770 0.3 . 1 . . . . 23 ARG CA . 18191 1 239 . 1 1 23 23 ARG CB C 13 30.6972 0.3 . 1 . . . . 23 ARG CB . 18191 1 240 . 1 1 23 23 ARG CG C 13 29.1578 0.3 . 1 . . . . 23 ARG CG . 18191 1 241 . 1 1 23 23 ARG CD C 13 43.0518 0.3 . 1 . . . . 23 ARG CD . 18191 1 242 . 1 1 23 23 ARG N N 15 118.5608 0.2 . 1 . . . . 23 ARG N . 18191 1 243 . 1 1 24 24 LEU H H 1 7.3029 0.05 . 1 . . . . 24 LEU H . 18191 1 244 . 1 1 24 24 LEU HA H 1 3.9918 0.05 . 1 . . . . 24 LEU HA . 18191 1 245 . 1 1 24 24 LEU HB2 H 1 1.9153 0.05 . 2 . . . . 24 LEU HB2 . 18191 1 246 . 1 1 24 24 LEU HB3 H 1 1.4384 0.05 . 2 . . . . 24 LEU HB3 . 18191 1 247 . 1 1 24 24 LEU HG H 1 1.6587 0.05 . 1 . . . . 24 LEU HG . 18191 1 248 . 1 1 24 24 LEU HD11 H 1 0.9855 0.05 . 2 . . . . 24 LEU HD11 . 18191 1 249 . 1 1 24 24 LEU HD12 H 1 0.9855 0.05 . 2 . . . . 24 LEU HD11 . 18191 1 250 . 1 1 24 24 LEU HD13 H 1 0.9855 0.05 . 2 . . . . 24 LEU HD11 . 18191 1 251 . 1 1 24 24 LEU HD21 H 1 0.8948 0.05 . 2 . . . . 24 LEU HD21 . 18191 1 252 . 1 1 24 24 LEU HD22 H 1 0.8948 0.05 . 2 . . . . 24 LEU HD21 . 18191 1 253 . 1 1 24 24 LEU HD23 H 1 0.8948 0.05 . 2 . . . . 24 LEU HD21 . 18191 1 254 . 1 1 24 24 LEU C C 13 177.4389 0.3 . 1 . . . . 24 LEU C . 18191 1 255 . 1 1 24 24 LEU CA C 13 58.6446 0.3 . 1 . . . . 24 LEU CA . 18191 1 256 . 1 1 24 24 LEU CB C 13 42.3960 0.3 . 1 . . . . 24 LEU CB . 18191 1 257 . 1 1 24 24 LEU CG C 13 27.1755 0.3 . 1 . . . . 24 LEU CG . 18191 1 258 . 1 1 24 24 LEU CD1 C 13 25.7198 0.3 . 2 . . . . 24 LEU CD1 . 18191 1 259 . 1 1 24 24 LEU CD2 C 13 25.3638 0.3 . 2 . . . . 24 LEU CD2 . 18191 1 260 . 1 1 24 24 LEU N N 15 123.2083 0.2 . 1 . . . . 24 LEU N . 18191 1 261 . 1 1 25 25 ALA H H 1 8.8300 0.05 . 1 . . . . 25 ALA H . 18191 1 262 . 1 1 25 25 ALA HA H 1 4.0570 0.05 . 1 . . . . 25 ALA HA . 18191 1 263 . 1 1 25 25 ALA HB1 H 1 1.4272 0.05 . 1 . . . . 25 ALA HB1 . 18191 1 264 . 1 1 25 25 ALA HB2 H 1 1.4272 0.05 . 1 . . . . 25 ALA HB1 . 18191 1 265 . 1 1 25 25 ALA HB3 H 1 1.4272 0.05 . 1 . . . . 25 ALA HB1 . 18191 1 266 . 1 1 25 25 ALA C C 13 181.0675 0.3 . 1 . . . . 25 ALA C . 18191 1 267 . 1 1 25 25 ALA CA C 13 56.0713 0.3 . 1 . . . . 25 ALA CA . 18191 1 268 . 1 1 25 25 ALA CB C 13 17.3073 0.3 . 1 . . . . 25 ALA CB . 18191 1 269 . 1 1 25 25 ALA N N 15 121.1919 0.2 . 1 . . . . 25 ALA N . 18191 1 270 . 1 1 26 26 ALA H H 1 8.2766 0.05 . 1 . . . . 26 ALA H . 18191 1 271 . 1 1 26 26 ALA HA H 1 4.1430 0.05 . 1 . . . . 26 ALA HA . 18191 1 272 . 1 1 26 26 ALA HB1 H 1 1.4456 0.05 . 1 . . . . 26 ALA HB1 . 18191 1 273 . 1 1 26 26 ALA HB2 H 1 1.4456 0.05 . 1 . . . . 26 ALA HB1 . 18191 1 274 . 1 1 26 26 ALA HB3 H 1 1.4456 0.05 . 1 . . . . 26 ALA HB1 . 18191 1 275 . 1 1 26 26 ALA C C 13 180.8342 0.3 . 1 . . . . 26 ALA C . 18191 1 276 . 1 1 26 26 ALA CA C 13 54.6601 0.3 . 1 . . . . 26 ALA CA . 18191 1 277 . 1 1 26 26 ALA CB C 13 18.1360 0.3 . 1 . . . . 26 ALA CB . 18191 1 278 . 1 1 26 26 ALA N N 15 120.7830 0.2 . 1 . . . . 26 ALA N . 18191 1 279 . 1 1 27 27 HIS H H 1 8.3949 0.05 . 1 . . . . 27 HIS H . 18191 1 280 . 1 1 27 27 HIS HA H 1 4.2043 0.05 . 1 . . . . 27 HIS HA . 18191 1 281 . 1 1 27 27 HIS HB2 H 1 3.6492 0.05 . 2 . . . . 27 HIS HB2 . 18191 1 282 . 1 1 27 27 HIS HB3 H 1 3.2763 0.05 . 2 . . . . 27 HIS HB3 . 18191 1 283 . 1 1 27 27 HIS HD1 H 1 6.8580 0.05 . 1 . . . . 27 HIS HD1 . 18191 1 284 . 1 1 27 27 HIS HD2 H 1 7.9180 0.05 . 1 . . . . 27 HIS HD2 . 18191 1 285 . 1 1 27 27 HIS HE1 H 1 7.9150 0.05 . 1 . . . . 27 HIS HE1 . 18191 1 286 . 1 1 27 27 HIS C C 13 177.8569 0.3 . 1 . . . . 27 HIS C . 18191 1 287 . 1 1 27 27 HIS CA C 13 60.3818 0.3 . 1 . . . . 27 HIS CA . 18191 1 288 . 1 1 27 27 HIS CB C 13 28.7523 0.3 . 1 . . . . 27 HIS CB . 18191 1 289 . 1 1 27 27 HIS N N 15 118.6747 0.2 . 1 . . . . 27 HIS N . 18191 1 290 . 1 1 27 27 HIS ND1 N 15 217.3870 0.2 . 1 . . . . 27 HIS ND1 . 18191 1 291 . 1 1 27 27 HIS NE2 N 15 175.0140 0.2 . 1 . . . . 27 HIS NE2 . 18191 1 292 . 1 1 28 28 LEU H H 1 9.0744 0.05 . 1 . . . . 28 LEU H . 18191 1 293 . 1 1 28 28 LEU HA H 1 3.9736 0.05 . 1 . . . . 28 LEU HA . 18191 1 294 . 1 1 28 28 LEU HB2 H 1 1.9188 0.05 . 2 . . . . 28 LEU HB2 . 18191 1 295 . 1 1 28 28 LEU HB3 H 1 1.5603 0.05 . 2 . . . . 28 LEU HB3 . 18191 1 296 . 1 1 28 28 LEU HG H 1 1.6139 0.05 . 1 . . . . 28 LEU HG . 18191 1 297 . 1 1 28 28 LEU HD11 H 1 1.1049 0.05 . 2 . . . . 28 LEU HD11 . 18191 1 298 . 1 1 28 28 LEU HD12 H 1 1.1049 0.05 . 2 . . . . 28 LEU HD11 . 18191 1 299 . 1 1 28 28 LEU HD13 H 1 1.1049 0.05 . 2 . . . . 28 LEU HD11 . 18191 1 300 . 1 1 28 28 LEU HD21 H 1 0.8860 0.05 . 2 . . . . 28 LEU HD21 . 18191 1 301 . 1 1 28 28 LEU HD22 H 1 0.8860 0.05 . 2 . . . . 28 LEU HD21 . 18191 1 302 . 1 1 28 28 LEU HD23 H 1 0.8860 0.05 . 2 . . . . 28 LEU HD21 . 18191 1 303 . 1 1 28 28 LEU C C 13 178.5361 0.3 . 1 . . . . 28 LEU C . 18191 1 304 . 1 1 28 28 LEU CA C 13 57.8285 0.3 . 1 . . . . 28 LEU CA . 18191 1 305 . 1 1 28 28 LEU CB C 13 41.8049 0.3 . 1 . . . . 28 LEU CB . 18191 1 306 . 1 1 28 28 LEU CG C 13 27.1323 0.3 . 1 . . . . 28 LEU CG . 18191 1 307 . 1 1 28 28 LEU CD1 C 13 23.6476 0.3 . 2 . . . . 28 LEU CD1 . 18191 1 308 . 1 1 28 28 LEU CD2 C 13 22.2577 0.3 . 2 . . . . 28 LEU CD2 . 18191 1 309 . 1 1 28 28 LEU N N 15 119.1688 0.2 . 1 . . . . 28 LEU N . 18191 1 310 . 1 1 29 29 GLN H H 1 7.4150 0.05 . 1 . . . . 29 GLN H . 18191 1 311 . 1 1 29 29 GLN HA H 1 3.9918 0.05 . 1 . . . . 29 GLN HA . 18191 1 312 . 1 1 29 29 GLN HB2 H 1 2.1539 0.05 . 2 . . . . 29 GLN HB2 . 18191 1 313 . 1 1 29 29 GLN HB3 H 1 2.1267 0.05 . 2 . . . . 29 GLN HB3 . 18191 1 314 . 1 1 29 29 GLN HG2 H 1 2.5503 0.05 . 2 . . . . 29 GLN HG2 . 18191 1 315 . 1 1 29 29 GLN HG3 H 1 2.3844 0.05 . 2 . . . . 29 GLN HG3 . 18191 1 316 . 1 1 29 29 GLN HE21 H 1 7.5390 0.05 . 2 . . . . 29 GLN HE21 . 18191 1 317 . 1 1 29 29 GLN HE22 H 1 6.8896 0.05 . 2 . . . . 29 GLN HE22 . 18191 1 318 . 1 1 29 29 GLN C C 13 177.8304 0.3 . 1 . . . . 29 GLN C . 18191 1 319 . 1 1 29 29 GLN CA C 13 58.6446 0.3 . 1 . . . . 29 GLN CA . 18191 1 320 . 1 1 29 29 GLN CB C 13 28.5774 0.3 . 1 . . . . 29 GLN CB . 18191 1 321 . 1 1 29 29 GLN CG C 13 33.8974 0.3 . 1 . . . . 29 GLN CG . 18191 1 322 . 1 1 29 29 GLN N N 15 115.8299 0.2 . 1 . . . . 29 GLN N . 18191 1 323 . 1 1 29 29 GLN NE2 N 15 112.2956 0.2 . 1 . . . . 29 GLN NE2 . 18191 1 324 . 1 1 30 30 ARG H H 1 7.0122 0.05 . 1 . . . . 30 ARG H . 18191 1 325 . 1 1 30 30 ARG HA H 1 4.2607 0.05 . 1 . . . . 30 ARG HA . 18191 1 326 . 1 1 30 30 ARG HB2 H 1 1.8060 0.05 . 2 . . . . 30 ARG HB2 . 18191 1 327 . 1 1 30 30 ARG HB3 H 1 1.6610 0.05 . 2 . . . . 30 ARG HB3 . 18191 1 328 . 1 1 30 30 ARG HG2 H 1 1.5530 0.05 . 2 . . . . 30 ARG HG2 . 18191 1 329 . 1 1 30 30 ARG HG3 H 1 1.5523 0.05 . 2 . . . . 30 ARG HG3 . 18191 1 330 . 1 1 30 30 ARG HD2 H 1 3.1727 0.05 . 2 . . . . 30 ARG HD2 . 18191 1 331 . 1 1 30 30 ARG HE H 1 6.8580 0.05 . 1 . . . . 30 ARG HE . 18191 1 332 . 1 1 30 30 ARG C C 13 176.7576 0.3 . 1 . . . . 30 ARG C . 18191 1 333 . 1 1 30 30 ARG CA C 13 57.0522 0.3 . 1 . . . . 30 ARG CA . 18191 1 334 . 1 1 30 30 ARG CB C 13 31.2690 0.3 . 1 . . . . 30 ARG CB . 18191 1 335 . 1 1 30 30 ARG CG C 13 27.4588 0.3 . 1 . . . . 30 ARG CG . 18191 1 336 . 1 1 30 30 ARG CD C 13 43.4652 0.3 . 1 . . . . 30 ARG CD . 18191 1 337 . 1 1 30 30 ARG N N 15 115.8482 0.2 . 1 . . . . 30 ARG N . 18191 1 338 . 1 1 31 31 CYS H H 1 8.5602 0.05 . 1 . . . . 31 CYS H . 18191 1 339 . 1 1 31 31 CYS HA H 1 3.8512 0.05 . 1 . . . . 31 CYS HA . 18191 1 340 . 1 1 31 31 CYS HB2 H 1 2.6038 0.05 . 2 . . . . 31 CYS HB2 . 18191 1 341 . 1 1 31 31 CYS HB3 H 1 1.9061 0.05 . 2 . . . . 31 CYS HB3 . 18191 1 342 . 1 1 31 31 CYS C C 13 176.7271 0.3 . 1 . . . . 31 CYS C . 18191 1 343 . 1 1 31 31 CYS CA C 13 62.2503 0.3 . 1 . . . . 31 CYS CA . 18191 1 344 . 1 1 31 31 CYS CB C 13 29.4645 0.3 . 1 . . . . 31 CYS CB . 18191 1 345 . 1 1 31 31 CYS N N 15 124.5540 0.2 . 1 . . . . 31 CYS N . 18191 1 346 . 1 1 32 32 LEU H H 1 8.0616 0.05 . 1 . . . . 32 LEU H . 18191 1 347 . 1 1 32 32 LEU HA H 1 4.2420 0.05 . 1 . . . . 32 LEU HA . 18191 1 348 . 1 1 32 32 LEU HB2 H 1 1.7384 0.05 . 2 . . . . 32 LEU HB2 . 18191 1 349 . 1 1 32 32 LEU HB3 H 1 1.5388 0.05 . 2 . . . . 32 LEU HB3 . 18191 1 350 . 1 1 32 32 LEU HG H 1 1.7030 0.05 . 1 . . . . 32 LEU HG . 18191 1 351 . 1 1 32 32 LEU HD11 H 1 0.8914 0.05 . 2 . . . . 32 LEU HD11 . 18191 1 352 . 1 1 32 32 LEU HD12 H 1 0.8914 0.05 . 2 . . . . 32 LEU HD11 . 18191 1 353 . 1 1 32 32 LEU HD13 H 1 0.8914 0.05 . 2 . . . . 32 LEU HD11 . 18191 1 354 . 1 1 32 32 LEU HD21 H 1 0.8001 0.05 . 2 . . . . 32 LEU HD21 . 18191 1 355 . 1 1 32 32 LEU HD22 H 1 0.8001 0.05 . 2 . . . . 32 LEU HD21 . 18191 1 356 . 1 1 32 32 LEU HD23 H 1 0.8001 0.05 . 2 . . . . 32 LEU HD21 . 18191 1 357 . 1 1 32 32 LEU C C 13 178.4361 0.3 . 1 . . . . 32 LEU C . 18191 1 358 . 1 1 32 32 LEU CA C 13 55.6008 0.3 . 1 . . . . 32 LEU CA . 18191 1 359 . 1 1 32 32 LEU CB C 13 41.8072 0.3 . 1 . . . . 32 LEU CB . 18191 1 360 . 1 1 32 32 LEU CD1 C 13 25.4150 0.3 . 2 . . . . 32 LEU CD1 . 18191 1 361 . 1 1 32 32 LEU CD2 C 13 22.5055 0.3 . 2 . . . . 32 LEU CD2 . 18191 1 362 . 1 1 32 32 LEU N N 15 118.2001 0.2 . 1 . . . . 32 LEU N . 18191 1 363 . 1 1 33 33 SER H H 1 7.7289 0.05 . 1 . . . . 33 SER H . 18191 1 364 . 1 1 33 33 SER HA H 1 4.3416 0.05 . 1 . . . . 33 SER HA . 18191 1 365 . 1 1 33 33 SER HB2 H 1 3.9350 0.05 . 2 . . . . 33 SER HB2 . 18191 1 366 . 1 1 33 33 SER HB3 H 1 3.9250 0.05 . 2 . . . . 33 SER HB3 . 18191 1 367 . 1 1 33 33 SER C C 13 175.1940 0.3 . 1 . . . . 33 SER C . 18191 1 368 . 1 1 33 33 SER CA C 13 59.1052 0.3 . 1 . . . . 33 SER CA . 18191 1 369 . 1 1 33 33 SER CB C 13 63.6500 0.3 . 1 . . . . 33 SER CB . 18191 1 370 . 1 1 33 33 SER N N 15 114.5688 0.2 . 1 . . . . 33 SER N . 18191 1 371 . 1 1 34 34 ARG H H 1 8.1693 0.05 . 1 . . . . 34 ARG H . 18191 1 372 . 1 1 34 34 ARG HA H 1 4.3290 0.05 . 1 . . . . 34 ARG HA . 18191 1 373 . 1 1 34 34 ARG HB2 H 1 1.8600 0.05 . 2 . . . . 34 ARG HB2 . 18191 1 374 . 1 1 34 34 ARG HB3 H 1 1.9240 0.05 . 2 . . . . 34 ARG HB3 . 18191 1 375 . 1 1 34 34 ARG HG2 H 1 1.6630 0.05 . 2 . . . . 34 ARG HG2 . 18191 1 376 . 1 1 34 34 ARG HG3 H 1 1.7293 0.05 . 2 . . . . 34 ARG HG3 . 18191 1 377 . 1 1 34 34 ARG HD2 H 1 3.1977 0.05 . 2 . . . . 34 ARG HD2 . 18191 1 378 . 1 1 34 34 ARG C C 13 177.1134 0.3 . 1 . . . . 34 ARG C . 18191 1 379 . 1 1 34 34 ARG CA C 13 56.7230 0.3 . 1 . . . . 34 ARG CA . 18191 1 380 . 1 1 34 34 ARG CB C 13 30.5110 0.3 . 1 . . . . 34 ARG CB . 18191 1 381 . 1 1 34 34 ARG CG C 13 27.1997 0.3 . 1 . . . . 34 ARG CG . 18191 1 382 . 1 1 34 34 ARG CD C 13 43.4652 0.3 . 1 . . . . 34 ARG CD . 18191 1 383 . 1 1 34 34 ARG N N 15 122.6544 0.2 . 1 . . . . 34 ARG N . 18191 1 384 . 1 1 35 35 GLY H H 1 8.2761 0.05 . 1 . . . . 35 GLY H . 18191 1 385 . 1 1 35 35 GLY HA2 H 1 3.9913 0.05 . 2 . . . . 35 GLY HA2 . 18191 1 386 . 1 1 35 35 GLY HA3 H 1 3.9191 0.05 . 2 . . . . 35 GLY HA3 . 18191 1 387 . 1 1 35 35 GLY C C 13 173.7401 0.3 . 1 . . . . 35 GLY C . 18191 1 388 . 1 1 35 35 GLY CA C 13 45.1914 0.3 . 1 . . . . 35 GLY CA . 18191 1 389 . 1 1 35 35 GLY N N 15 109.2820 0.2 . 1 . . . . 35 GLY N . 18191 1 390 . 1 1 36 36 ALA H H 1 8.2123 0.05 . 1 . . . . 36 ALA H . 18191 1 391 . 1 1 36 36 ALA HA H 1 4.3392 0.05 . 1 . . . . 36 ALA HA . 18191 1 392 . 1 1 36 36 ALA HB1 H 1 1.3906 0.05 . 1 . . . . 36 ALA HB1 . 18191 1 393 . 1 1 36 36 ALA HB2 H 1 1.3906 0.05 . 1 . . . . 36 ALA HB1 . 18191 1 394 . 1 1 36 36 ALA HB3 H 1 1.3906 0.05 . 1 . . . . 36 ALA HB1 . 18191 1 395 . 1 1 36 36 ALA C C 13 177.8276 0.3 . 1 . . . . 36 ALA C . 18191 1 396 . 1 1 36 36 ALA CA C 13 52.4771 0.3 . 1 . . . . 36 ALA CA . 18191 1 397 . 1 1 36 36 ALA CB C 13 19.4443 0.3 . 1 . . . . 36 ALA CB . 18191 1 398 . 1 1 36 36 ALA N N 15 124.0534 0.2 . 1 . . . . 36 ALA N . 18191 1 399 . 1 1 37 37 ARG H H 1 8.3854 0.05 . 1 . . . . 37 ARG H . 18191 1 400 . 1 1 37 37 ARG HA H 1 4.3258 0.05 . 1 . . . . 37 ARG HA . 18191 1 401 . 1 1 37 37 ARG HB2 H 1 1.8880 0.05 . 2 . . . . 37 ARG HB2 . 18191 1 402 . 1 1 37 37 ARG HB3 H 1 1.7950 0.05 . 2 . . . . 37 ARG HB3 . 18191 1 403 . 1 1 37 37 ARG HG2 H 1 1.6799 0.05 . 2 . . . . 37 ARG HG2 . 18191 1 404 . 1 1 37 37 ARG HD2 H 1 3.1977 0.05 . 2 . . . . 37 ARG HD2 . 18191 1 405 . 1 1 37 37 ARG C C 13 175.5641 0.3 . 1 . . . . 37 ARG C . 18191 1 406 . 1 1 37 37 ARG CA C 13 56.1382 0.3 . 1 . . . . 37 ARG CA . 18191 1 407 . 1 1 37 37 ARG CB C 13 30.7440 0.3 . 1 . . . . 37 ARG CB . 18191 1 408 . 1 1 37 37 ARG CG C 13 29.1978 0.3 . 1 . . . . 37 ARG CG . 18191 1 409 . 1 1 37 37 ARG CD C 13 43.4652 0.3 . 1 . . . . 37 ARG CD . 18191 1 410 . 1 1 37 37 ARG N N 15 121.2776 0.2 . 1 . . . . 37 ARG N . 18191 1 411 . 1 1 38 38 ARG H H 1 8.1112 0.05 . 1 . . . . 38 ARG H . 18191 1 412 . 1 1 38 38 ARG HA H 1 4.1734 0.05 . 1 . . . . 38 ARG HA . 18191 1 413 . 1 1 38 38 ARG HB2 H 1 1.8490 0.05 . 2 . . . . 38 ARG HB2 . 18191 1 414 . 1 1 38 38 ARG HB3 H 1 1.7110 0.05 . 2 . . . . 38 ARG HB3 . 18191 1 415 . 1 1 38 38 ARG HG2 H 1 1.5911 0.05 . 2 . . . . 38 ARG HG2 . 18191 1 416 . 1 1 38 38 ARG HD2 H 1 3.1977 0.05 . 2 . . . . 38 ARG HD2 . 18191 1 417 . 1 1 38 38 ARG C C 13 181.1691 0.3 . 1 . . . . 38 ARG C . 18191 1 418 . 1 1 38 38 ARG CA C 13 57.4080 0.3 . 1 . . . . 38 ARG CA . 18191 1 419 . 1 1 38 38 ARG CG C 13 27.2496 0.3 . 1 . . . . 38 ARG CG . 18191 1 420 . 1 1 38 38 ARG CD C 13 43.4652 0.3 . 1 . . . . 38 ARG CD . 18191 1 421 . 1 1 38 38 ARG N N 15 128.1108 0.2 . 1 . . . . 38 ARG N . 18191 1 stop_ save_