################################### # 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 18514 _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_1 _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 1 '2D 1H-15N HSQC' . . . 18514 1 2 '2D 1H-13C HSQC' . . . 18514 1 3 '3D CBCA(CO)NH' . . . 18514 1 4 '3D HNCACB' . . . 18514 1 5 '3D HNCO' . . . 18514 1 6 '3D C(CO)NH' . . . 18514 1 7 '3D HBHA(CO)NH' . . . 18514 1 8 '3D HCCH-TOCSY' . . . 18514 1 9 '3D 1H-15N TOCSY' . . . 18514 1 10 '3D CCH-TOCSY' . . . 18514 1 11 '3D 1H-13C NOESY aliphatic' . . . 18514 1 12 '3D 1H-13C NOESY aromatic' . . . 18514 1 13 '3D 1H-15N NOESY' . . . 18514 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 SER HA H 1 4.4140 0.02 . 1 . . . A 8 SER HA . 18514 1 2 . 1 1 1 1 SER CA C 13 62.7000 0.3 . 1 . . . A 8 SER CA . 18514 1 3 . 1 1 2 2 PRO HA H 1 4.7830 0.02 . 1 . . . A 9 PRO HA . 18514 1 4 . 1 1 2 2 PRO HB2 H 1 2.4180 0.02 . 2 . . . A 9 PRO HB2 . 18514 1 5 . 1 1 2 2 PRO HB3 H 1 1.8850 0.02 . 2 . . . A 9 PRO HB3 . 18514 1 6 . 1 1 2 2 PRO HG2 H 1 2.0280 0.02 . 2 . . . A 9 PRO HG2 . 18514 1 7 . 1 1 2 2 PRO HG3 H 1 2.0710 0.02 . 2 . . . A 9 PRO HG3 . 18514 1 8 . 1 1 2 2 PRO HD2 H 1 3.6300 0.02 . 2 . . . A 9 PRO HD2 . 18514 1 9 . 1 1 2 2 PRO HD3 H 1 3.7830 0.02 . 2 . . . A 9 PRO HD3 . 18514 1 10 . 1 1 2 2 PRO CA C 13 61.8070 0.3 . 1 . . . A 9 PRO CA . 18514 1 11 . 1 1 2 2 PRO CB C 13 30.7910 0.3 . 1 . . . A 9 PRO CB . 18514 1 12 . 1 1 2 2 PRO CG C 13 27.2000 0.3 . 1 . . . A 9 PRO CG . 18514 1 13 . 1 1 2 2 PRO CD C 13 50.6400 0.3 . 1 . . . A 9 PRO CD . 18514 1 14 . 1 1 3 3 PRO HA H 1 4.4030 0.02 . 1 . . . A 10 PRO HA . 18514 1 15 . 1 1 3 3 PRO HB2 H 1 2.2770 0.02 . 2 . . . A 10 PRO HB2 . 18514 1 16 . 1 1 3 3 PRO HB3 H 1 1.8350 0.02 . 2 . . . A 10 PRO HB3 . 18514 1 17 . 1 1 3 3 PRO HG2 H 1 2.0100 0.02 . 2 . . . A 10 PRO HG2 . 18514 1 18 . 1 1 3 3 PRO HG3 H 1 2.0110 0.02 . 2 . . . A 10 PRO HG3 . 18514 1 19 . 1 1 3 3 PRO HD2 H 1 3.6210 0.02 . 2 . . . A 10 PRO HD2 . 18514 1 20 . 1 1 3 3 PRO HD3 H 1 3.8130 0.02 . 2 . . . A 10 PRO HD3 . 18514 1 21 . 1 1 3 3 PRO CA C 13 62.7340 0.3 . 1 . . . A 10 PRO CA . 18514 1 22 . 1 1 3 3 PRO CB C 13 31.8880 0.3 . 1 . . . A 10 PRO CB . 18514 1 23 . 1 1 3 3 PRO CG C 13 27.6000 0.3 . 1 . . . A 10 PRO CG . 18514 1 24 . 1 1 3 3 PRO CD C 13 50.4600 0.3 . 1 . . . A 10 PRO CD . 18514 1 25 . 1 1 4 4 LYS H H 1 8.3800 0.02 . 1 . . . A 11 LYS H . 18514 1 26 . 1 1 4 4 LYS HA H 1 4.5150 0.02 . 1 . . . A 11 LYS HA . 18514 1 27 . 1 1 4 4 LYS HB2 H 1 1.7810 0.02 . 2 . . . A 11 LYS HB2 . 18514 1 28 . 1 1 4 4 LYS HB3 H 1 1.7170 0.02 . 2 . . . A 11 LYS HB3 . 18514 1 29 . 1 1 4 4 LYS HG2 H 1 1.4340 0.02 . 2 . . . A 11 LYS HG2 . 18514 1 30 . 1 1 4 4 LYS HG3 H 1 1.5610 0.02 . 2 . . . A 11 LYS HG3 . 18514 1 31 . 1 1 4 4 LYS HD2 H 1 1.7000 0.02 . 2 . . . A 11 LYS HD2 . 18514 1 32 . 1 1 4 4 LYS HD3 H 1 1.7000 0.02 . 2 . . . A 11 LYS HD3 . 18514 1 33 . 1 1 4 4 LYS HE2 H 1 3.0100 0.02 . 2 . . . A 11 LYS HE2 . 18514 1 34 . 1 1 4 4 LYS HE3 H 1 3.0100 0.02 . 2 . . . A 11 LYS HE3 . 18514 1 35 . 1 1 4 4 LYS C C 13 173.2720 0.3 . 1 . . . A 11 LYS C . 18514 1 36 . 1 1 4 4 LYS CA C 13 54.2810 0.3 . 1 . . . A 11 LYS CA . 18514 1 37 . 1 1 4 4 LYS CB C 13 31.9200 0.3 . 1 . . . A 11 LYS CB . 18514 1 38 . 1 1 4 4 LYS CG C 13 23.5870 0.3 . 1 . . . A 11 LYS CG . 18514 1 39 . 1 1 4 4 LYS CD C 13 29.3000 0.3 . 1 . . . A 11 LYS CD . 18514 1 40 . 1 1 4 4 LYS CE C 13 42.1100 0.3 . 1 . . . A 11 LYS CE . 18514 1 41 . 1 1 4 4 LYS N N 15 124.3070 0.2 . 1 . . . A 11 LYS N . 18514 1 42 . 1 1 5 5 PRO HA H 1 4.4360 0.02 . 1 . . . A 12 PRO HA . 18514 1 43 . 1 1 5 5 PRO HB2 H 1 2.2090 0.02 . 2 . . . A 12 PRO HB2 . 18514 1 44 . 1 1 5 5 PRO HB3 H 1 1.9560 0.02 . 2 . . . A 12 PRO HB3 . 18514 1 45 . 1 1 5 5 PRO HG2 H 1 1.8700 0.02 . 2 . . . A 12 PRO HG2 . 18514 1 46 . 1 1 5 5 PRO HG3 H 1 1.8760 0.02 . 2 . . . A 12 PRO HG3 . 18514 1 47 . 1 1 5 5 PRO HD2 H 1 3.8200 0.02 . 2 . . . A 12 PRO HD2 . 18514 1 48 . 1 1 5 5 PRO HD3 H 1 3.5360 0.02 . 2 . . . A 12 PRO HD3 . 18514 1 49 . 1 1 5 5 PRO C C 13 175.537 0.3 . 1 . . . A 12 PRO C . 18514 1 50 . 1 1 5 5 PRO CA C 13 62.7930 0.3 . 1 . . . A 12 PRO CA . 18514 1 51 . 1 1 5 5 PRO CB C 13 32.0820 0.3 . 1 . . . A 12 PRO CB . 18514 1 52 . 1 1 5 5 PRO CG C 13 27.6000 0.3 . 1 . . . A 12 PRO CG . 18514 1 53 . 1 1 5 5 PRO CD C 13 50.8000 0.3 . 1 . . . A 12 PRO CD . 18514 1 54 . 1 1 6 6 LYS H H 1 8.0640 0.02 . 1 . . . A 13 LYS H . 18514 1 55 . 1 1 6 6 LYS HA H 1 5.1470 0.02 . 1 . . . A 13 LYS HA . 18514 1 56 . 1 1 6 6 LYS HB2 H 1 1.7000 0.02 . 2 . . . A 13 LYS HB2 . 18514 1 57 . 1 1 6 6 LYS HB3 H 1 1.6830 0.02 . 2 . . . A 13 LYS HB3 . 18514 1 58 . 1 1 6 6 LYS HG2 H 1 1.4620 0.02 . 2 . . . A 13 LYS HG2 . 18514 1 59 . 1 1 6 6 LYS HG3 H 1 1.3170 0.02 . 2 . . . A 13 LYS HG3 . 18514 1 60 . 1 1 6 6 LYS HD2 H 1 1.5930 0.02 . 2 . . . A 13 LYS HD2 . 18514 1 61 . 1 1 6 6 LYS HD3 H 1 1.5930 0.02 . 2 . . . A 13 LYS HD3 . 18514 1 62 . 1 1 6 6 LYS HE2 H 1 2.9770 0.02 . 2 . . . A 13 LYS HE2 . 18514 1 63 . 1 1 6 6 LYS HE3 H 1 2.9770 0.02 . 2 . . . A 13 LYS HE3 . 18514 1 64 . 1 1 6 6 LYS C C 13 173.4080 0.3 . 1 . . . A 13 LYS C . 18514 1 65 . 1 1 6 6 LYS CA C 13 54.4570 0.3 . 1 . . . A 13 LYS CA . 18514 1 66 . 1 1 6 6 LYS CB C 13 34.8410 0.3 . 1 . . . A 13 LYS CB . 18514 1 67 . 1 1 6 6 LYS CG C 13 24.6610 0.3 . 1 . . . A 13 LYS CG . 18514 1 68 . 1 1 6 6 LYS CD C 13 28.9800 0.3 . 1 . . . A 13 LYS CD . 18514 1 69 . 1 1 6 6 LYS CE C 13 42.1820 0.3 . 1 . . . A 13 LYS CE . 18514 1 70 . 1 1 6 6 LYS N N 15 118.8510 0.2 . 1 . . . A 13 LYS N . 18514 1 71 . 1 1 7 7 CYS H H 1 9.9430 0.02 . 1 . . . A 14 CYS H . 18514 1 72 . 1 1 7 7 CYS HA H 1 5.2280 0.02 . 1 . . . A 14 CYS HA . 18514 1 73 . 1 1 7 7 CYS HB2 H 1 3.4580 0.02 . 2 . . . A 14 CYS HB2 . 18514 1 74 . 1 1 7 7 CYS HB3 H 1 3.7310 0.02 . 2 . . . A 14 CYS HB3 . 18514 1 75 . 1 1 7 7 CYS C C 13 173.4080 0.3 . 1 . . . A 14 CYS C . 18514 1 76 . 1 1 7 7 CYS CA C 13 56.5920 0.3 . 1 . . . A 14 CYS CA . 18514 1 77 . 1 1 7 7 CYS CB C 13 34.8610 0.3 . 1 . . . A 14 CYS CB . 18514 1 78 . 1 1 7 7 CYS N N 15 127.3850 0.2 . 1 . . . A 14 CYS N . 18514 1 79 . 1 1 8 8 ARG H H 1 8.8350 0.02 . 1 . . . A 15 ARG H . 18514 1 80 . 1 1 8 8 ARG HA H 1 4.3460 0.02 . 1 . . . A 15 ARG HA . 18514 1 81 . 1 1 8 8 ARG HB2 H 1 2.0600 0.02 . 2 . . . A 15 ARG HB2 . 18514 1 82 . 1 1 8 8 ARG HB3 H 1 1.6660 0.02 . 2 . . . A 15 ARG HB3 . 18514 1 83 . 1 1 8 8 ARG HG2 H 1 1.6000 0.02 . 2 . . . A 15 ARG HG2 . 18514 1 84 . 1 1 8 8 ARG HG3 H 1 1.6000 0.02 . 2 . . . A 15 ARG HG3 . 18514 1 85 . 1 1 8 8 ARG HD2 H 1 3.2220 0.02 . 2 . . . A 15 ARG HD2 . 18514 1 86 . 1 1 8 8 ARG HD3 H 1 3.2220 0.02 . 2 . . . A 15 ARG HD3 . 18514 1 87 . 1 1 8 8 ARG C C 13 175.8080 0.3 . 1 . . . A 15 ARG C . 18514 1 88 . 1 1 8 8 ARG CA C 13 54.3710 0.3 . 1 . . . A 15 ARG CA . 18514 1 89 . 1 1 8 8 ARG CB C 13 30.7310 0.3 . 1 . . . A 15 ARG CB . 18514 1 90 . 1 1 8 8 ARG CG C 13 27.5580 0.3 . 1 . . . A 15 ARG CG . 18514 1 91 . 1 1 8 8 ARG CD C 13 43.4390 0.3 . 1 . . . A 15 ARG CD . 18514 1 92 . 1 1 8 8 ARG N N 15 117.9400 0.2 . 1 . . . A 15 ARG N . 18514 1 93 . 1 1 9 9 CYS H H 1 7.4330 0.02 . 1 . . . A 16 CYS H . 18514 1 94 . 1 1 9 9 CYS HA H 1 4.0240 0.02 . 1 . . . A 16 CYS HA . 18514 1 95 . 1 1 9 9 CYS HB2 H 1 3.1200 0.02 . 2 . . . A 16 CYS HB2 . 18514 1 96 . 1 1 9 9 CYS HB3 H 1 3.1200 0.02 . 2 . . . A 16 CYS HB3 . 18514 1 97 . 1 1 9 9 CYS C C 13 174.3600 0.3 . 1 . . . A 16 CYS C . 18514 1 98 . 1 1 9 9 CYS CA C 13 60.2390 0.3 . 1 . . . A 16 CYS CA . 18514 1 99 . 1 1 9 9 CYS CB C 13 32.4510 0.3 . 1 . . . A 16 CYS CB . 18514 1 100 . 1 1 9 9 CYS N N 15 122.3230 0.2 . 1 . . . A 16 CYS N . 18514 1 101 . 1 1 10 10 GLY H H 1 8.7880 0.02 . 1 . . . A 17 GLY H . 18514 1 102 . 1 1 10 10 GLY HA2 H 1 4.5280 0.02 . 2 . . . A 17 GLY HA2 . 18514 1 103 . 1 1 10 10 GLY HA3 H 1 3.7400 0.02 . 2 . . . A 17 GLY HA3 . 18514 1 104 . 1 1 10 10 GLY C C 13 174.5180 0.3 . 1 . . . A 17 GLY C . 18514 1 105 . 1 1 10 10 GLY CA C 13 45.5600 0.3 . 1 . . . A 17 GLY CA . 18514 1 106 . 1 1 10 10 GLY N N 15 108.0650 0.2 . 1 . . . A 17 GLY N . 18514 1 107 . 1 1 11 11 ILE H H 1 7.5570 0.02 . 1 . . . A 18 ILE H . 18514 1 108 . 1 1 11 11 ILE HA H 1 3.9770 0.02 . 1 . . . A 18 ILE HA . 18514 1 109 . 1 1 11 11 ILE HB H 1 1.9520 0.02 . 1 . . . A 18 ILE HB . 18514 1 110 . 1 1 11 11 ILE HG12 H 1 1.2410 0.02 . 2 . . . A 18 ILE HG12 . 18514 1 111 . 1 1 11 11 ILE HG13 H 1 1.5310 0.02 . 2 . . . A 18 ILE HG13 . 18514 1 112 . 1 1 11 11 ILE HG21 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG21 . 18514 1 113 . 1 1 11 11 ILE HG22 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG22 . 18514 1 114 . 1 1 11 11 ILE HG23 H 1 0.9660 0.02 . 1 . . . A 18 ILE HG23 . 18514 1 115 . 1 1 11 11 ILE HD11 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD11 . 18514 1 116 . 1 1 11 11 ILE HD12 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD12 . 18514 1 117 . 1 1 11 11 ILE HD13 H 1 0.9330 0.02 . 1 . . . A 18 ILE HD13 . 18514 1 118 . 1 1 11 11 ILE C C 13 173.8200 0.3 . 1 . . . A 18 ILE C . 18514 1 119 . 1 1 11 11 ILE CA C 13 63.5900 0.3 . 1 . . . A 18 ILE CA . 18514 1 120 . 1 1 11 11 ILE CB C 13 38.7240 0.3 . 1 . . . A 18 ILE CB . 18514 1 121 . 1 1 11 11 ILE CG1 C 13 28.2000 0.3 . 1 . . . A 18 ILE CG1 . 18514 1 122 . 1 1 11 11 ILE CG2 C 13 17.3020 0.3 . 1 . . . A 18 ILE CG2 . 18514 1 123 . 1 1 11 11 ILE CD1 C 13 13.7400 0.3 . 1 . . . A 18 ILE CD1 . 18514 1 124 . 1 1 11 11 ILE N N 15 118.9900 0.2 . 1 . . . A 18 ILE N . 18514 1 125 . 1 1 12 12 SER H H 1 8.4180 0.02 . 1 . . . A 19 SER H . 18514 1 126 . 1 1 12 12 SER HA H 1 4.5100 0.02 . 1 . . . A 19 SER HA . 18514 1 127 . 1 1 12 12 SER HB2 H 1 3.9300 0.02 . 2 . . . A 19 SER HB2 . 18514 1 128 . 1 1 12 12 SER HB3 H 1 3.9300 0.02 . 2 . . . A 19 SER HB3 . 18514 1 129 . 1 1 12 12 SER C C 13 172.9480 0.3 . 1 . . . A 19 SER C . 18514 1 130 . 1 1 12 12 SER CA C 13 58.2000 0.3 . 1 . . . A 19 SER CA . 18514 1 131 . 1 1 12 12 SER CB C 13 63.8000 0.3 . 1 . . . A 19 SER CB . 18514 1 132 . 1 1 12 12 SER N N 15 116.1280 0.2 . 1 . . . A 19 SER N . 18514 1 133 . 1 1 13 13 GLY H H 1 8.2430 0.02 . 1 . . . A 20 GLY H . 18514 1 134 . 1 1 13 13 GLY HA2 H 1 4.1990 0.02 . 2 . . . A 20 GLY HA2 . 18514 1 135 . 1 1 13 13 GLY HA3 H 1 3.8680 0.02 . 2 . . . A 20 GLY HA3 . 18514 1 136 . 1 1 13 13 GLY C C 13 172.9480 0.3 . 1 . . . A 20 GLY C . 18514 1 137 . 1 1 13 13 GLY CA C 13 45.3980 0.3 . 1 . . . A 20 GLY CA . 18514 1 138 . 1 1 13 13 GLY N N 15 110.9840 0.2 . 1 . . . A 20 GLY N . 18514 1 139 . 1 1 14 14 SER H H 1 8.2500 0.02 . 1 . . . A 21 SER H . 18514 1 140 . 1 1 14 14 SER HA H 1 4.5350 0.02 . 1 . . . A 21 SER HA . 18514 1 141 . 1 1 14 14 SER HB2 H 1 3.9120 0.02 . 2 . . . A 21 SER HB2 . 18514 1 142 . 1 1 14 14 SER HB3 H 1 3.7800 0.02 . 2 . . . A 21 SER HB3 . 18514 1 143 . 1 1 14 14 SER C C 13 175.3760 0.3 . 1 . . . A 21 SER C . 18514 1 144 . 1 1 14 14 SER CA C 13 57.9300 0.3 . 1 . . . A 21 SER CA . 18514 1 145 . 1 1 14 14 SER CB C 13 64.0800 0.3 . 1 . . . A 21 SER CB . 18514 1 146 . 1 1 14 14 SER N N 15 114.9510 0.2 . 1 . . . A 21 SER N . 18514 1 147 . 1 1 15 15 SER H H 1 8.4270 0.02 . 1 . . . A 22 SER H . 18514 1 148 . 1 1 15 15 SER HA H 1 4.4490 0.02 . 1 . . . A 22 SER HA . 18514 1 149 . 1 1 15 15 SER HB2 H 1 3.8790 0.02 . 2 . . . A 22 SER HB2 . 18514 1 150 . 1 1 15 15 SER HB3 H 1 3.8790 0.02 . 2 . . . A 22 SER HB3 . 18514 1 151 . 1 1 15 15 SER C C 13 174.8630 0.3 . 1 . . . A 22 SER C . 18514 1 152 . 1 1 15 15 SER CA C 13 57.7670 0.3 . 1 . . . A 22 SER CA . 18514 1 153 . 1 1 15 15 SER CB C 13 63.5980 0.3 . 1 . . . A 22 SER CB . 18514 1 154 . 1 1 15 15 SER N N 15 118.3340 0.2 . 1 . . . A 22 SER N . 18514 1 155 . 1 1 16 16 ASN H H 1 8.4530 0.02 . 1 . . . A 23 ASN H . 18514 1 156 . 1 1 16 16 ASN HA H 1 4.8100 0.02 . 1 . . . A 23 ASN HA . 18514 1 157 . 1 1 16 16 ASN HB2 H 1 2.9370 0.02 . 2 . . . A 23 ASN HB2 . 18514 1 158 . 1 1 16 16 ASN HB3 H 1 2.7880 0.02 . 2 . . . A 23 ASN HB3 . 18514 1 159 . 1 1 16 16 ASN HD21 H 1 6.9630 0.02 . 2 . . . A 23 ASN HD21 . 18514 1 160 . 1 1 16 16 ASN HD22 H 1 7.6340 0.02 . 2 . . . A 23 ASN HD22 . 18514 1 161 . 1 1 16 16 ASN C C 13 175.3640 0.3 . 1 . . . A 23 ASN C . 18514 1 162 . 1 1 16 16 ASN CA C 13 53.1740 0.3 . 1 . . . A 23 ASN CA . 18514 1 163 . 1 1 16 16 ASN CB C 13 38.4670 0.3 . 1 . . . A 23 ASN CB . 18514 1 164 . 1 1 16 16 ASN N N 15 120.7840 0.2 . 1 . . . A 23 ASN N . 18514 1 165 . 1 1 16 16 ASN ND2 N 15 112.2530 0.2 . 1 . . . A 23 ASN ND2 . 18514 1 166 . 1 1 17 17 THR H H 1 8.4170 0.02 . 1 . . . A 24 THR H . 18514 1 167 . 1 1 17 17 THR HA H 1 4.3460 0.02 . 1 . . . A 24 THR HA . 18514 1 168 . 1 1 17 17 THR HB H 1 4.2290 0.02 . 1 . . . A 24 THR HB . 18514 1 169 . 1 1 17 17 THR HG21 H 1 1.2360 0.02 . 1 . . . A 24 THR HG21 . 18514 1 170 . 1 1 17 17 THR HG22 H 1 1.2360 0.02 . 1 . . . A 24 THR HG22 . 18514 1 171 . 1 1 17 17 THR HG23 H 1 1.2360 0.02 . 1 . . . A 24 THR HG23 . 18514 1 172 . 1 1 17 17 THR C C 13 173.4280 0.3 . 1 . . . A 24 THR C . 18514 1 173 . 1 1 17 17 THR CA C 13 62.1260 0.3 . 1 . . . A 24 THR CA . 18514 1 174 . 1 1 17 17 THR CB C 13 68.7770 0.3 . 1 . . . A 24 THR CB . 18514 1 175 . 1 1 17 17 THR CG2 C 13 21.7790 0.3 . 1 . . . A 24 THR CG2 . 18514 1 176 . 1 1 17 17 THR N N 15 115.6600 0.2 . 1 . . . A 24 THR N . 18514 1 177 . 1 1 18 18 LEU H H 1 8.2180 0.02 . 1 . . . A 25 LEU H . 18514 1 178 . 1 1 18 18 LEU HA H 1 4.2940 0.02 . 1 . . . A 25 LEU HA . 18514 1 179 . 1 1 18 18 LEU HB2 H 1 1.7850 0.02 . 2 . . . A 25 LEU HB2 . 18514 1 180 . 1 1 18 18 LEU HB3 H 1 1.5400 0.02 . 2 . . . A 25 LEU HB3 . 18514 1 181 . 1 1 18 18 LEU HG H 1 1.6800 0.02 . 1 . . . A 25 LEU HG . 18514 1 182 . 1 1 18 18 LEU HD11 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD11 . 18514 1 183 . 1 1 18 18 LEU HD12 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD12 . 18514 1 184 . 1 1 18 18 LEU HD13 H 1 0.9300 0.02 . 2 . . . A 25 LEU HD13 . 18514 1 185 . 1 1 18 18 LEU HD21 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD21 . 18514 1 186 . 1 1 18 18 LEU HD22 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD22 . 18514 1 187 . 1 1 18 18 LEU HD23 H 1 0.8500 0.02 . 2 . . . A 25 LEU HD23 . 18514 1 188 . 1 1 18 18 LEU C C 13 173.9510 0.3 . 1 . . . A 25 LEU C . 18514 1 189 . 1 1 18 18 LEU CA C 13 56.2480 0.3 . 1 . . . A 25 LEU CA . 18514 1 190 . 1 1 18 18 LEU CB C 13 42.3070 0.3 . 1 . . . A 25 LEU CB . 18514 1 191 . 1 1 18 18 LEU CG C 13 27.1470 0.3 . 1 . . . A 25 LEU CG . 18514 1 192 . 1 1 18 18 LEU CD1 C 13 24.8570 0.3 . 2 . . . A 25 LEU CD1 . 18514 1 193 . 1 1 18 18 LEU CD2 C 13 22.9840 0.3 . 2 . . . A 25 LEU CD2 . 18514 1 194 . 1 1 18 18 LEU N N 15 121.1900 0.2 . 1 . . . A 25 LEU N . 18514 1 195 . 1 1 19 19 THR H H 1 7.7910 0.02 . 1 . . . A 26 THR H . 18514 1 196 . 1 1 19 19 THR HA H 1 4.2300 0.02 . 1 . . . A 26 THR HA . 18514 1 197 . 1 1 19 19 THR HB H 1 4.3290 0.02 . 1 . . . A 26 THR HB . 18514 1 198 . 1 1 19 19 THR HG21 H 1 1.0540 0.02 . 1 . . . A 26 THR HG21 . 18514 1 199 . 1 1 19 19 THR HG22 H 1 1.0540 0.02 . 1 . . . A 26 THR HG22 . 18514 1 200 . 1 1 19 19 THR HG23 H 1 1.0540 0.02 . 1 . . . A 26 THR HG23 . 18514 1 201 . 1 1 19 19 THR C C 13 171.4290 0.3 . 1 . . . A 26 THR C . 18514 1 202 . 1 1 19 19 THR CA C 13 60.6310 0.3 . 1 . . . A 26 THR CA . 18514 1 203 . 1 1 19 19 THR CB C 13 68.2960 0.3 . 1 . . . A 26 THR CB . 18514 1 204 . 1 1 19 19 THR CG2 C 13 21.6230 0.3 . 1 . . . A 26 THR CG2 . 18514 1 205 . 1 1 19 19 THR N N 15 106.9880 0.2 . 1 . . . A 26 THR N . 18514 1 206 . 1 1 20 20 THR H H 1 7.3700 0.02 . 1 . . . A 27 THR H . 18514 1 207 . 1 1 20 20 THR HA H 1 3.9760 0.02 . 1 . . . A 27 THR HA . 18514 1 208 . 1 1 20 20 THR HB H 1 3.6430 0.02 . 1 . . . A 27 THR HB . 18514 1 209 . 1 1 20 20 THR HG21 H 1 1.3350 0.02 . 1 . . . A 27 THR HG21 . 18514 1 210 . 1 1 20 20 THR HG22 H 1 1.3350 0.02 . 1 . . . A 27 THR HG22 . 18514 1 211 . 1 1 20 20 THR HG23 H 1 1.3350 0.02 . 1 . . . A 27 THR HG23 . 18514 1 212 . 1 1 20 20 THR C C 13 175.1210 0.3 . 1 . . . A 27 THR C . 18514 1 213 . 1 1 20 20 THR CA C 13 68.9000 0.3 . 1 . . . A 27 THR CA . 18514 1 214 . 1 1 20 20 THR CB C 13 65.1000 0.3 . 1 . . . A 27 THR CB . 18514 1 215 . 1 1 20 20 THR CG2 C 13 22.3970 0.3 . 1 . . . A 27 THR CG2 . 18514 1 216 . 1 1 20 20 THR N N 15 121.4410 0.2 . 1 . . . A 27 THR N . 18514 1 217 . 1 1 21 21 CYS H H 1 9.3210 0.02 . 1 . . . A 28 CYS H . 18514 1 218 . 1 1 21 21 CYS HA H 1 4.0100 0.02 . 1 . . . A 28 CYS HA . 18514 1 219 . 1 1 21 21 CYS HB2 H 1 3.6400 0.02 . 2 . . . A 28 CYS HB2 . 18514 1 220 . 1 1 21 21 CYS HB3 H 1 3.6000 0.02 . 2 . . . A 28 CYS HB3 . 18514 1 221 . 1 1 21 21 CYS C C 13 174.9300 0.3 . 1 . . . A 28 CYS C . 18514 1 222 . 1 1 21 21 CYS CA C 13 59.8090 0.3 . 1 . . . A 28 CYS CA . 18514 1 223 . 1 1 21 21 CYS CB C 13 31.7570 0.3 . 1 . . . A 28 CYS CB . 18514 1 224 . 1 1 21 21 CYS N N 15 121.1740 0.2 . 1 . . . A 28 CYS N . 18514 1 225 . 1 1 22 22 ARG H H 1 7.8800 0.02 . 1 . . . A 29 ARG H . 18514 1 226 . 1 1 22 22 ARG HA H 1 3.2230 0.02 . 1 . . . A 29 ARG HA . 18514 1 227 . 1 1 22 22 ARG HB2 H 1 1.2950 0.02 . 2 . . . A 29 ARG HB2 . 18514 1 228 . 1 1 22 22 ARG HB3 H 1 0.9410 0.02 . 2 . . . A 29 ARG HB3 . 18514 1 229 . 1 1 22 22 ARG HG2 H 1 1.2390 0.02 . 2 . . . A 29 ARG HG2 . 18514 1 230 . 1 1 22 22 ARG HG3 H 1 1.4190 0.02 . 2 . . . A 29 ARG HG3 . 18514 1 231 . 1 1 22 22 ARG HD2 H 1 3.1250 0.02 . 2 . . . A 29 ARG HD2 . 18514 1 232 . 1 1 22 22 ARG HD3 H 1 3.1250 0.02 . 2 . . . A 29 ARG HD3 . 18514 1 233 . 1 1 22 22 ARG C C 13 177.6190 0.3 . 1 . . . A 29 ARG C . 18514 1 234 . 1 1 22 22 ARG CA C 13 52.8300 0.3 . 1 . . . A 29 ARG CA . 18514 1 235 . 1 1 22 22 ARG CB C 13 31.2680 0.3 . 1 . . . A 29 ARG CB . 18514 1 236 . 1 1 22 22 ARG CG C 13 28.6200 0.3 . 1 . . . A 29 ARG CG . 18514 1 237 . 1 1 22 22 ARG CD C 13 43.9400 0.3 . 1 . . . A 29 ARG CD . 18514 1 238 . 1 1 22 22 ARG N N 15 115.6430 0.2 . 1 . . . A 29 ARG N . 18514 1 239 . 1 1 23 23 ASN H H 1 6.8160 0.02 . 1 . . . A 30 ASN H . 18514 1 240 . 1 1 23 23 ASN HA H 1 4.5860 0.02 . 1 . . . A 30 ASN HA . 18514 1 241 . 1 1 23 23 ASN HB2 H 1 3.0730 0.02 . 2 . . . A 30 ASN HB2 . 18514 1 242 . 1 1 23 23 ASN HB3 H 1 2.7910 0.02 . 2 . . . A 30 ASN HB3 . 18514 1 243 . 1 1 23 23 ASN HD21 H 1 6.9640 0.02 . 2 . . . A 30 ASN HD21 . 18514 1 244 . 1 1 23 23 ASN HD22 H 1 7.4340 0.02 . 2 . . . A 30 ASN HD22 . 18514 1 245 . 1 1 23 23 ASN C C 13 174.9720 0.3 . 1 . . . A 30 ASN C . 18514 1 246 . 1 1 23 23 ASN CA C 13 51.4760 0.3 . 1 . . . A 30 ASN CA . 18514 1 247 . 1 1 23 23 ASN CB C 13 41.3530 0.3 . 1 . . . A 30 ASN CB . 18514 1 248 . 1 1 23 23 ASN N N 15 113.8540 0.2 . 1 . . . A 30 ASN N . 18514 1 249 . 1 1 23 23 ASN ND2 N 15 115.4780 0.2 . 1 . . . A 30 ASN ND2 . 18514 1 250 . 1 1 24 24 SER H H 1 8.8730 0.02 . 1 . . . A 31 SER H . 18514 1 251 . 1 1 24 24 SER HA H 1 4.1720 0.02 . 1 . . . A 31 SER HA . 18514 1 252 . 1 1 24 24 SER HB2 H 1 4.0700 0.02 . 2 . . . A 31 SER HB2 . 18514 1 253 . 1 1 24 24 SER HB3 H 1 4.0260 0.02 . 2 . . . A 31 SER HB3 . 18514 1 254 . 1 1 24 24 SER C C 13 174.8200 0.3 . 1 . . . A 31 SER C . 18514 1 255 . 1 1 24 24 SER CA C 13 61.0800 0.3 . 1 . . . A 31 SER CA . 18514 1 256 . 1 1 24 24 SER CB C 13 63.4250 0.3 . 1 . . . A 31 SER CB . 18514 1 257 . 1 1 24 24 SER N N 15 113.7880 0.2 . 1 . . . A 31 SER N . 18514 1 258 . 1 1 25 25 ARG H H 1 8.1040 0.02 . 1 . . . A 32 ARG H . 18514 1 259 . 1 1 25 25 ARG HA H 1 4.2070 0.02 . 1 . . . A 32 ARG HA . 18514 1 260 . 1 1 25 25 ARG HB2 H 1 2.0140 0.02 . 2 . . . A 32 ARG HB2 . 18514 1 261 . 1 1 25 25 ARG HB3 H 1 1.8950 0.02 . 2 . . . A 32 ARG HB3 . 18514 1 262 . 1 1 25 25 ARG HG2 H 1 1.6600 0.02 . 2 . . . A 32 ARG HG2 . 18514 1 263 . 1 1 25 25 ARG HG3 H 1 1.7220 0.02 . 2 . . . A 32 ARG HG3 . 18514 1 264 . 1 1 25 25 ARG HD2 H 1 3.2040 0.02 . 2 . . . A 32 ARG HD2 . 18514 1 265 . 1 1 25 25 ARG HD3 H 1 3.2040 0.02 . 2 . . . A 32 ARG HD3 . 18514 1 266 . 1 1 25 25 ARG C C 13 175.4820 0.3 . 1 . . . A 32 ARG C . 18514 1 267 . 1 1 25 25 ARG CA C 13 57.0180 0.3 . 1 . . . A 32 ARG CA . 18514 1 268 . 1 1 25 25 ARG CB C 13 29.7320 0.3 . 1 . . . A 32 ARG CB . 18514 1 269 . 1 1 25 25 ARG CG C 13 27.6000 0.3 . 1 . . . A 32 ARG CG . 18514 1 270 . 1 1 25 25 ARG CD C 13 43.1630 0.3 . 1 . . . A 32 ARG CD . 18514 1 271 . 1 1 25 25 ARG N N 15 119.6960 0.2 . 1 . . . A 32 ARG N . 18514 1 272 . 1 1 26 26 CYS H H 1 7.7660 0.02 . 1 . . . A 33 CYS H . 18514 1 273 . 1 1 26 26 CYS HA H 1 4.6870 0.02 . 1 . . . A 33 CYS HA . 18514 1 274 . 1 1 26 26 CYS HB2 H 1 3.2190 0.02 . 2 . . . A 33 CYS HB2 . 18514 1 275 . 1 1 26 26 CYS HB3 H 1 2.8630 0.02 . 2 . . . A 33 CYS HB3 . 18514 1 276 . 1 1 26 26 CYS C C 13 173.0640 0.3 . 1 . . . A 33 CYS C . 18514 1 277 . 1 1 26 26 CYS CA C 13 55.7000 0.3 . 1 . . . A 33 CYS CA . 18514 1 278 . 1 1 26 26 CYS CB C 13 31.9540 0.3 . 1 . . . A 33 CYS CB . 18514 1 279 . 1 1 26 26 CYS N N 15 123.0610 0.2 . 1 . . . A 33 CYS N . 18514 1 280 . 1 1 27 27 PRO HA H 1 4.2920 0.02 . 1 . . . A 34 PRO HA . 18514 1 281 . 1 1 27 27 PRO HB2 H 1 1.9530 0.02 . 2 . . . A 34 PRO HB2 . 18514 1 282 . 1 1 27 27 PRO HB3 H 1 2.3510 0.02 . 2 . . . A 34 PRO HB3 . 18514 1 283 . 1 1 27 27 PRO HG2 H 1 2.2240 0.02 . 2 . . . A 34 PRO HG2 . 18514 1 284 . 1 1 27 27 PRO HG3 H 1 2.2240 0.02 . 2 . . . A 34 PRO HG3 . 18514 1 285 . 1 1 27 27 PRO HD2 H 1 4.0040 0.02 . 2 . . . A 34 PRO HD2 . 18514 1 286 . 1 1 27 27 PRO HD3 H 1 4.2400 0.02 . 2 . . . A 34 PRO HD3 . 18514 1 287 . 1 1 27 27 PRO CA C 13 64.2660 0.3 . 1 . . . A 34 PRO CA . 18514 1 288 . 1 1 27 27 PRO CB C 13 32.1580 0.3 . 1 . . . A 34 PRO CB . 18514 1 289 . 1 1 27 27 PRO CG C 13 27.0000 0.3 . 1 . . . A 34 PRO CG . 18514 1 290 . 1 1 27 27 PRO CD C 13 51.0600 0.3 . 1 . . . A 34 PRO CD . 18514 1 291 . 1 1 28 28 CYS H H 1 8.3680 0.02 . 1 . . . A 35 CYS H . 18514 1 292 . 1 1 28 28 CYS HA H 1 3.6300 0.02 . 1 . . . A 35 CYS HA . 18514 1 293 . 1 1 28 28 CYS HB2 H 1 2.7320 0.02 . 2 . . . A 35 CYS HB2 . 18514 1 294 . 1 1 28 28 CYS HB3 H 1 2.8060 0.02 . 2 . . . A 35 CYS HB3 . 18514 1 295 . 1 1 28 28 CYS C C 13 171.2540 0.3 . 1 . . . A 35 CYS C . 18514 1 296 . 1 1 28 28 CYS CA C 13 62.5850 0.3 . 1 . . . A 35 CYS CA . 18514 1 297 . 1 1 28 28 CYS CB C 13 29.2470 0.3 . 1 . . . A 35 CYS CB . 18514 1 298 . 1 1 28 28 CYS N N 15 129.0500 0.2 . 1 . . . A 35 CYS N . 18514 1 299 . 1 1 29 29 TYR H H 1 8.1970 0.02 . 1 . . . A 36 TYR H . 18514 1 300 . 1 1 29 29 TYR HA H 1 4.0600 0.02 . 1 . . . A 36 TYR HA . 18514 1 301 . 1 1 29 29 TYR HB2 H 1 2.8400 0.02 . 2 . . . A 36 TYR HB2 . 18514 1 302 . 1 1 29 29 TYR HB3 H 1 3.3300 0.02 . 2 . . . A 36 TYR HB3 . 18514 1 303 . 1 1 29 29 TYR HD1 H 1 6.9090 0.02 . 3 . . . A 36 TYR HD1 . 18514 1 304 . 1 1 29 29 TYR HD2 H 1 6.9090 0.02 . 3 . . . A 36 TYR HD2 . 18514 1 305 . 1 1 29 29 TYR HE1 H 1 6.5610 0.02 . 3 . . . A 36 TYR HE1 . 18514 1 306 . 1 1 29 29 TYR HE2 H 1 6.5610 0.02 . 3 . . . A 36 TYR HE2 . 18514 1 307 . 1 1 29 29 TYR C C 13 172.6500 0.3 . 1 . . . A 36 TYR C . 18514 1 308 . 1 1 29 29 TYR CA C 13 62.1210 0.3 . 1 . . . A 36 TYR CA . 18514 1 309 . 1 1 29 29 TYR CB C 13 37.9210 0.3 . 1 . . . A 36 TYR CB . 18514 1 310 . 1 1 29 29 TYR CD1 C 13 133.7660 0.3 . 1 . . . A 36 TYR CD1 . 18514 1 311 . 1 1 29 29 TYR CD2 C 13 133.7660 0.3 . 3 . . . A 36 TYR CD2 . 18514 1 312 . 1 1 29 29 TYR CE1 C 13 117.6380 0.3 . 1 . . . A 36 TYR CE1 . 18514 1 313 . 1 1 29 29 TYR CE2 C 13 117.6380 0.3 . 3 . . . A 36 TYR CE2 . 18514 1 314 . 1 1 29 29 TYR N N 15 124.3640 0.2 . 1 . . . A 36 TYR N . 18514 1 315 . 1 1 30 30 LYS H H 1 8.4410 0.02 . 1 . . . A 37 LYS H . 18514 1 316 . 1 1 30 30 LYS HA H 1 3.7790 0.02 . 1 . . . A 37 LYS HA . 18514 1 317 . 1 1 30 30 LYS HB2 H 1 1.6880 0.02 . 2 . . . A 37 LYS HB2 . 18514 1 318 . 1 1 30 30 LYS HB3 H 1 2.0200 0.02 . 2 . . . A 37 LYS HB3 . 18514 1 319 . 1 1 30 30 LYS HG2 H 1 1.4400 0.02 . 2 . . . A 37 LYS HG2 . 18514 1 320 . 1 1 30 30 LYS HG3 H 1 1.5280 0.02 . 2 . . . A 37 LYS HG3 . 18514 1 321 . 1 1 30 30 LYS HD2 H 1 1.8070 0.02 . 2 . . . A 37 LYS HD2 . 18514 1 322 . 1 1 30 30 LYS HD3 H 1 1.8070 0.02 . 2 . . . A 37 LYS HD3 . 18514 1 323 . 1 1 30 30 LYS HE2 H 1 2.9880 0.02 . 2 . . . A 37 LYS HE2 . 18514 1 324 . 1 1 30 30 LYS HE3 H 1 2.9880 0.02 . 2 . . . A 37 LYS HE3 . 18514 1 325 . 1 1 30 30 LYS C C 13 172.6500 0.3 . 1 . . . A 37 LYS C . 18514 1 326 . 1 1 30 30 LYS CA C 13 58.3960 0.3 . 1 . . . A 37 LYS CA . 18514 1 327 . 1 1 30 30 LYS CB C 13 32.6320 0.3 . 1 . . . A 37 LYS CB . 18514 1 328 . 1 1 30 30 LYS CG C 13 24.6200 0.3 . 1 . . . A 37 LYS CG . 18514 1 329 . 1 1 30 30 LYS CD C 13 28.8600 0.3 . 1 . . . A 37 LYS CD . 18514 1 330 . 1 1 30 30 LYS CE C 13 42.2700 0.3 . 1 . . . A 37 LYS CE . 18514 1 331 . 1 1 30 30 LYS N N 15 117.2140 0.2 . 1 . . . A 37 LYS N . 18514 1 332 . 1 1 31 31 SER H H 1 7.1800 0.02 . 1 . . . A 38 SER H . 18514 1 333 . 1 1 31 31 SER HA H 1 4.3480 0.02 . 1 . . . A 38 SER HA . 18514 1 334 . 1 1 31 31 SER HB2 H 1 4.1640 0.02 . 2 . . . A 38 SER HB2 . 18514 1 335 . 1 1 31 31 SER HB3 H 1 3.7760 0.02 . 2 . . . A 38 SER HB3 . 18514 1 336 . 1 1 31 31 SER C C 13 173.5660 0.3 . 1 . . . A 38 SER C . 18514 1 337 . 1 1 31 31 SER CA C 13 56.4690 0.3 . 1 . . . A 38 SER CA . 18514 1 338 . 1 1 31 31 SER CB C 13 63.4610 0.3 . 1 . . . A 38 SER CB . 18514 1 339 . 1 1 31 31 SER N N 15 109.6710 0.2 . 1 . . . A 38 SER N . 18514 1 340 . 1 1 32 32 TYR H H 1 7.4100 0.02 . 1 . . . A 39 TYR H . 18514 1 341 . 1 1 32 32 TYR HA H 1 3.0870 0.02 . 1 . . . A 39 TYR HA . 18514 1 342 . 1 1 32 32 TYR HB2 H 1 3.0790 0.02 . 2 . . . A 39 TYR HB2 . 18514 1 343 . 1 1 32 32 TYR HB3 H 1 2.8830 0.02 . 2 . . . A 39 TYR HB3 . 18514 1 344 . 1 1 32 32 TYR HD1 H 1 6.8300 0.02 . 3 . . . A 39 TYR HD1 . 18514 1 345 . 1 1 32 32 TYR HD2 H 1 6.8300 0.02 . 3 . . . A 39 TYR HD2 . 18514 1 346 . 1 1 32 32 TYR HE1 H 1 6.7230 0.02 . 3 . . . A 39 TYR HE1 . 18514 1 347 . 1 1 32 32 TYR HE2 H 1 6.7230 0.02 . 3 . . . A 39 TYR HE2 . 18514 1 348 . 1 1 32 32 TYR C C 13 176.7280 0.3 . 1 . . . A 39 TYR C . 18514 1 349 . 1 1 32 32 TYR CA C 13 58.6160 0.3 . 1 . . . A 39 TYR CA . 18514 1 350 . 1 1 32 32 TYR CB C 13 34.5500 0.3 . 1 . . . A 39 TYR CB . 18514 1 351 . 1 1 32 32 TYR CD1 C 13 133.1000 0.3 . 3 . . . A 39 TYR CD1 . 18514 1 352 . 1 1 32 32 TYR CD2 C 13 133.1000 0.3 . 1 . . . A 39 TYR CD2 . 18514 1 353 . 1 1 32 32 TYR CE1 C 13 117.9600 0.3 . 3 . . . A 39 TYR CE1 . 18514 1 354 . 1 1 32 32 TYR CE2 C 13 117.9600 0.3 . 1 . . . A 39 TYR CE2 . 18514 1 355 . 1 1 32 32 TYR N N 15 116.0960 0.2 . 1 . . . A 39 TYR N . 18514 1 356 . 1 1 33 33 ASN H H 1 8.2570 0.02 . 1 . . . A 40 ASN H . 18514 1 357 . 1 1 33 33 ASN HA H 1 5.0030 0.02 . 1 . . . A 40 ASN HA . 18514 1 358 . 1 1 33 33 ASN HB2 H 1 2.8570 0.02 . 2 . . . A 40 ASN HB2 . 18514 1 359 . 1 1 33 33 ASN HB3 H 1 2.4780 0.02 . 2 . . . A 40 ASN HB3 . 18514 1 360 . 1 1 33 33 ASN HD21 H 1 7.0940 0.02 . 2 . . . A 40 ASN HD21 . 18514 1 361 . 1 1 33 33 ASN HD22 H 1 7.9430 0.02 . 2 . . . A 40 ASN HD22 . 18514 1 362 . 1 1 33 33 ASN C C 13 176.0830 0.3 . 1 . . . A 40 ASN C . 18514 1 363 . 1 1 33 33 ASN CA C 13 52.1440 0.3 . 1 . . . A 40 ASN CA . 18514 1 364 . 1 1 33 33 ASN CB C 13 43.5540 0.3 . 1 . . . A 40 ASN CB . 18514 1 365 . 1 1 33 33 ASN N N 15 116.5490 0.2 . 1 . . . A 40 ASN N . 18514 1 366 . 1 1 33 33 ASN ND2 N 15 114.9700 0.2 . 1 . . . A 40 ASN ND2 . 18514 1 367 . 1 1 34 34 SER H H 1 8.7200 0.02 . 1 . . . A 41 SER H . 18514 1 368 . 1 1 34 34 SER HA H 1 4.4770 0.02 . 1 . . . A 41 SER HA . 18514 1 369 . 1 1 34 34 SER HB2 H 1 3.5920 0.02 . 2 . . . A 41 SER HB2 . 18514 1 370 . 1 1 34 34 SER HB3 H 1 4.0850 0.02 . 2 . . . A 41 SER HB3 . 18514 1 371 . 1 1 34 34 SER C C 13 174.8500 0.3 . 1 . . . A 41 SER C . 18514 1 372 . 1 1 34 34 SER CA C 13 57.6250 0.3 . 1 . . . A 41 SER CA . 18514 1 373 . 1 1 34 34 SER CB C 13 65.0000 0.3 . 1 . . . A 41 SER CB . 18514 1 374 . 1 1 34 34 SER N N 15 115.0710 0.2 . 1 . . . A 41 SER N . 18514 1 375 . 1 1 35 35 CYS H H 1 8.6960 0.02 . 1 . . . A 42 CYS H . 18514 1 376 . 1 1 35 35 CYS HA H 1 5.6800 0.02 . 1 . . . A 42 CYS HA . 18514 1 377 . 1 1 35 35 CYS HB2 H 1 2.6600 0.02 . 2 . . . A 42 CYS HB2 . 18514 1 378 . 1 1 35 35 CYS HB3 H 1 3.5980 0.02 . 2 . . . A 42 CYS HB3 . 18514 1 379 . 1 1 35 35 CYS C C 13 174.8500 0.3 . 1 . . . A 42 CYS C . 18514 1 380 . 1 1 35 35 CYS CA C 13 59.7840 0.3 . 1 . . . A 42 CYS CA . 18514 1 381 . 1 1 35 35 CYS CB C 13 31.9480 0.3 . 1 . . . A 42 CYS CB . 18514 1 382 . 1 1 35 35 CYS N N 15 115.9500 0.2 . 1 . . . A 42 CYS N . 18514 1 383 . 1 1 36 36 ALA H H 1 8.0020 0.02 . 1 . . . A 43 ALA H . 18514 1 384 . 1 1 36 36 ALA HA H 1 4.2170 0.02 . 1 . . . A 43 ALA HA . 18514 1 385 . 1 1 36 36 ALA HB1 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB1 . 18514 1 386 . 1 1 36 36 ALA HB2 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB2 . 18514 1 387 . 1 1 36 36 ALA HB3 H 1 1.2840 0.02 . 1 . . . A 43 ALA HB3 . 18514 1 388 . 1 1 36 36 ALA C C 13 173.5720 0.3 . 1 . . . A 43 ALA C . 18514 1 389 . 1 1 36 36 ALA CA C 13 54.3290 0.3 . 1 . . . A 43 ALA CA . 18514 1 390 . 1 1 36 36 ALA CB C 13 17.8350 0.3 . 1 . . . A 43 ALA CB . 18514 1 391 . 1 1 36 36 ALA N N 15 124.4170 0.2 . 1 . . . A 43 ALA N . 18514 1 392 . 1 1 37 37 GLY H H 1 8.9320 0.02 . 1 . . . A 44 GLY H . 18514 1 393 . 1 1 37 37 GLY HA2 H 1 4.0590 0.02 . 2 . . . A 44 GLY HA2 . 18514 1 394 . 1 1 37 37 GLY HA3 H 1 3.7410 0.02 . 2 . . . A 44 GLY HA3 . 18514 1 395 . 1 1 37 37 GLY C C 13 170.2630 0.3 . 1 . . . A 44 GLY C . 18514 1 396 . 1 1 37 37 GLY CA C 13 45.7170 0.3 . 1 . . . A 44 GLY CA . 18514 1 397 . 1 1 37 37 GLY N N 15 113.5240 0.2 . 1 . . . A 44 GLY N . 18514 1 398 . 1 1 38 38 CYS H H 1 7.6410 0.02 . 1 . . . A 45 CYS H . 18514 1 399 . 1 1 38 38 CYS HA H 1 4.0760 0.02 . 1 . . . A 45 CYS HA . 18514 1 400 . 1 1 38 38 CYS HB2 H 1 3.6270 0.02 . 2 . . . A 45 CYS HB2 . 18514 1 401 . 1 1 38 38 CYS HB3 H 1 3.3380 0.02 . 2 . . . A 45 CYS HB3 . 18514 1 402 . 1 1 38 38 CYS C C 13 170.2630 0.3 . 1 . . . A 45 CYS C . 18514 1 403 . 1 1 38 38 CYS CA C 13 61.8860 0.3 . 1 . . . A 45 CYS CA . 18514 1 404 . 1 1 38 38 CYS CB C 13 33.6220 0.3 . 1 . . . A 45 CYS CB . 18514 1 405 . 1 1 38 38 CYS N N 15 120.1840 0.2 . 1 . . . A 45 CYS N . 18514 1 406 . 1 1 39 39 HIS H H 1 8.2340 0.02 . 1 . . . A 46 HIS H . 18514 1 407 . 1 1 39 39 HIS HA H 1 5.0500 0.02 . 1 . . . A 46 HIS HA . 18514 1 408 . 1 1 39 39 HIS HB2 H 1 3.6100 0.02 . 2 . . . A 46 HIS HB2 . 18514 1 409 . 1 1 39 39 HIS HB3 H 1 2.8400 0.02 . 2 . . . A 46 HIS HB3 . 18514 1 410 . 1 1 39 39 HIS HD2 H 1 6.9970 0.02 . 1 . . . A 46 HIS HD2 . 18514 1 411 . 1 1 39 39 HIS HE1 H 1 8.0940 0.02 . 1 . . . A 46 HIS HE1 . 18514 1 412 . 1 1 39 39 HIS C C 13 174.2230 0.3 . 1 . . . A 46 HIS C . 18514 1 413 . 1 1 39 39 HIS CA C 13 54.4890 0.3 . 1 . . . A 46 HIS CA . 18514 1 414 . 1 1 39 39 HIS CB C 13 29.6880 0.3 . 1 . . . A 46 HIS CB . 18514 1 415 . 1 1 39 39 HIS CD2 C 13 119.7200 0.3 . 1 . . . A 46 HIS CD2 . 18514 1 416 . 1 1 39 39 HIS CE1 C 13 137.7400 0.3 . 1 . . . A 46 HIS CE1 . 18514 1 417 . 1 1 39 39 HIS N N 15 118.1560 0.2 . 1 . . . A 46 HIS N . 18514 1 418 . 1 1 40 40 CYS H H 1 7.4030 0.02 . 1 . . . A 47 CYS H . 18514 1 419 . 1 1 40 40 CYS HA H 1 4.8220 0.02 . 1 . . . A 47 CYS HA . 18514 1 420 . 1 1 40 40 CYS HB2 H 1 3.3930 0.02 . 2 . . . A 47 CYS HB2 . 18514 1 421 . 1 1 40 40 CYS HB3 H 1 2.7970 0.02 . 2 . . . A 47 CYS HB3 . 18514 1 422 . 1 1 40 40 CYS C C 13 176.2960 0.3 . 1 . . . A 47 CYS C . 18514 1 423 . 1 1 40 40 CYS CA C 13 55.5960 0.3 . 1 . . . A 47 CYS CA . 18514 1 424 . 1 1 40 40 CYS CB C 13 33.2380 0.3 . 1 . . . A 47 CYS CB . 18514 1 425 . 1 1 40 40 CYS N N 15 118.3540 0.2 . 1 . . . A 47 CYS N . 18514 1 426 . 1 1 41 41 VAL H H 1 8.2050 0.02 . 1 . . . A 48 VAL H . 18514 1 427 . 1 1 41 41 VAL HA H 1 4.2310 0.02 . 1 . . . A 48 VAL HA . 18514 1 428 . 1 1 41 41 VAL HB H 1 1.6850 0.02 . 1 . . . A 48 VAL HB . 18514 1 429 . 1 1 41 41 VAL HG11 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG11 . 18514 1 430 . 1 1 41 41 VAL HG12 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG12 . 18514 1 431 . 1 1 41 41 VAL HG13 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG13 . 18514 1 432 . 1 1 41 41 VAL HG21 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG21 . 18514 1 433 . 1 1 41 41 VAL HG22 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG22 . 18514 1 434 . 1 1 41 41 VAL HG23 H 1 0.8900 0.02 . 2 . . . A 48 VAL HG23 . 18514 1 435 . 1 1 41 41 VAL C C 13 174.2650 0.3 . 1 . . . A 48 VAL C . 18514 1 436 . 1 1 41 41 VAL CA C 13 61.2310 0.3 . 1 . . . A 48 VAL CA . 18514 1 437 . 1 1 41 41 VAL CB C 13 34.6980 0.3 . 1 . . . A 48 VAL CB . 18514 1 438 . 1 1 41 41 VAL CG1 C 13 21.5000 0.3 . 2 . . . A 48 VAL CG1 . 18514 1 439 . 1 1 41 41 VAL CG2 C 13 21.0440 0.3 . 2 . . . A 48 VAL CG2 . 18514 1 440 . 1 1 41 41 VAL N N 15 118.9680 0.2 . 1 . . . A 48 VAL N . 18514 1 441 . 1 1 42 42 GLY H H 1 8.6340 0.02 . 1 . . . A 49 GLY H . 18514 1 442 . 1 1 42 42 GLY HA2 H 1 3.8220 0.02 . 2 . . . A 49 GLY HA2 . 18514 1 443 . 1 1 42 42 GLY HA3 H 1 3.7200 0.02 . 2 . . . A 49 GLY HA3 . 18514 1 444 . 1 1 42 42 GLY C C 13 174.2230 0.3 . 1 . . . A 49 GLY C . 18514 1 445 . 1 1 42 42 GLY CA C 13 46.1130 0.3 . 1 . . . A 49 GLY CA . 18514 1 446 . 1 1 42 42 GLY N N 15 115.7260 0.2 . 1 . . . A 49 GLY N . 18514 1 447 . 1 1 43 43 CYS H H 1 7.6700 0.02 . 1 . . . A 50 CYS H . 18514 1 448 . 1 1 43 43 CYS HA H 1 3.1570 0.02 . 1 . . . A 50 CYS HA . 18514 1 449 . 1 1 43 43 CYS HB2 H 1 2.6460 0.02 . 2 . . . A 50 CYS HB2 . 18514 1 450 . 1 1 43 43 CYS HB3 H 1 3.6290 0.02 . 2 . . . A 50 CYS HB3 . 18514 1 451 . 1 1 43 43 CYS C C 13 173.4280 0.3 . 1 . . . A 50 CYS C . 18514 1 452 . 1 1 43 43 CYS CA C 13 63.3460 0.3 . 1 . . . A 50 CYS CA . 18514 1 453 . 1 1 43 43 CYS CB C 13 33.1260 0.3 . 1 . . . A 50 CYS CB . 18514 1 454 . 1 1 43 43 CYS N N 15 119.9170 0.2 . 1 . . . A 50 CYS N . 18514 1 455 . 1 1 44 44 LYS H H 1 7.9340 0.02 . 1 . . . A 51 LYS H . 18514 1 456 . 1 1 44 44 LYS HA H 1 4.5980 0.02 . 1 . . . A 51 LYS HA . 18514 1 457 . 1 1 44 44 LYS HB2 H 1 1.9540 0.02 . 2 . . . A 51 LYS HB2 . 18514 1 458 . 1 1 44 44 LYS HB3 H 1 1.6940 0.02 . 2 . . . A 51 LYS HB3 . 18514 1 459 . 1 1 44 44 LYS HG2 H 1 1.5100 0.02 . 2 . . . A 51 LYS HG2 . 18514 1 460 . 1 1 44 44 LYS HG3 H 1 1.5100 0.02 . 2 . . . A 51 LYS HG3 . 18514 1 461 . 1 1 44 44 LYS HD2 H 1 1.5100 0.02 . 2 . . . A 51 LYS HD2 . 18514 1 462 . 1 1 44 44 LYS HD3 H 1 1.6350 0.02 . 2 . . . A 51 LYS HD3 . 18514 1 463 . 1 1 44 44 LYS HE2 H 1 2.9650 0.02 . 2 . . . A 51 LYS HE2 . 18514 1 464 . 1 1 44 44 LYS HE3 H 1 2.9650 0.02 . 2 . . . A 51 LYS HE3 . 18514 1 465 . 1 1 44 44 LYS C C 13 171.7760 0.3 . 1 . . . A 51 LYS C . 18514 1 466 . 1 1 44 44 LYS CA C 13 54.0360 0.3 . 1 . . . A 51 LYS CA . 18514 1 467 . 1 1 44 44 LYS CB C 13 31.7250 0.3 . 1 . . . A 51 LYS CB . 18514 1 468 . 1 1 44 44 LYS CG C 13 23.7000 0.3 . 1 . . . A 51 LYS CG . 18514 1 469 . 1 1 44 44 LYS CD C 13 29.0000 0.3 . 1 . . . A 51 LYS CD . 18514 1 470 . 1 1 44 44 LYS CE C 13 42.0000 0.3 . 1 . . . A 51 LYS CE . 18514 1 471 . 1 1 44 44 LYS N N 15 128.0570 0.2 . 1 . . . A 51 LYS N . 18514 1 472 . 1 1 45 45 ASN H H 1 9.0760 0.02 . 1 . . . A 52 ASN H . 18514 1 473 . 1 1 45 45 ASN HA H 1 4.7670 0.02 . 1 . . . A 52 ASN HA . 18514 1 474 . 1 1 45 45 ASN HB2 H 1 3.3270 0.02 . 2 . . . A 52 ASN HB2 . 18514 1 475 . 1 1 45 45 ASN HB3 H 1 3.0970 0.02 . 2 . . . A 52 ASN HB3 . 18514 1 476 . 1 1 45 45 ASN HD21 H 1 8.0960 0.02 . 2 . . . A 52 ASN HD21 . 18514 1 477 . 1 1 45 45 ASN HD22 H 1 7.8120 0.02 . 2 . . . A 52 ASN HD22 . 18514 1 478 . 1 1 45 45 ASN C C 13 171.7760 0.3 . 1 . . . A 52 ASN C . 18514 1 479 . 1 1 45 45 ASN CA C 13 52.2500 0.3 . 1 . . . A 52 ASN CA . 18514 1 480 . 1 1 45 45 ASN CB C 13 39.5200 0.3 . 1 . . . A 52 ASN CB . 18514 1 481 . 1 1 45 45 ASN N N 15 125.2590 0.2 . 1 . . . A 52 ASN N . 18514 1 482 . 1 1 45 45 ASN ND2 N 15 111.6370 0.2 . 1 . . . A 52 ASN ND2 . 18514 1 483 . 1 1 46 46 PRO HA H 1 4.4630 0.02 . 1 . . . A 53 PRO HA . 18514 1 484 . 1 1 46 46 PRO HB2 H 1 2.1510 0.02 . 2 . . . A 53 PRO HB2 . 18514 1 485 . 1 1 46 46 PRO HB3 H 1 1.9630 0.02 . 2 . . . A 53 PRO HB3 . 18514 1 486 . 1 1 46 46 PRO HG2 H 1 2.1230 0.02 . 2 . . . A 53 PRO HG2 . 18514 1 487 . 1 1 46 46 PRO HG3 H 1 1.5600 0.02 . 2 . . . A 53 PRO HG3 . 18514 1 488 . 1 1 46 46 PRO HD2 H 1 4.0000 0.02 . 2 . . . A 53 PRO HD2 . 18514 1 489 . 1 1 46 46 PRO HD3 H 1 4.2200 0.02 . 2 . . . A 53 PRO HD3 . 18514 1 490 . 1 1 46 46 PRO CA C 13 63.1310 0.3 . 1 . . . A 53 PRO CA . 18514 1 491 . 1 1 46 46 PRO CB C 13 32.3310 0.3 . 1 . . . A 53 PRO CB . 18514 1 492 . 1 1 46 46 PRO CG C 13 26.1000 0.3 . 1 . . . A 53 PRO CG . 18514 1 493 . 1 1 46 46 PRO CD C 13 50.5000 0.3 . 1 . . . A 53 PRO CD . 18514 1 494 . 1 1 47 47 HIS H H 1 8.2360 0.02 . 1 . . . A 54 HIS H . 18514 1 495 . 1 1 47 47 HIS HA H 1 4.5140 0.02 . 1 . . . A 54 HIS HA . 18514 1 496 . 1 1 47 47 HIS HB2 H 1 2.8660 0.02 . 2 . . . A 54 HIS HB2 . 18514 1 497 . 1 1 47 47 HIS HB3 H 1 2.9310 0.02 . 2 . . . A 54 HIS HB3 . 18514 1 498 . 1 1 47 47 HIS HD2 H 1 7.0840 0.02 . 1 . . . A 54 HIS HD2 . 18514 1 499 . 1 1 47 47 HIS HE1 H 1 7.7700 0.02 . 1 . . . A 54 HIS HE1 . 18514 1 500 . 1 1 47 47 HIS C C 13 172.2040 0.3 . 1 . . . A 54 HIS C . 18514 1 501 . 1 1 47 47 HIS CA C 13 56.3040 0.3 . 1 . . . A 54 HIS CA . 18514 1 502 . 1 1 47 47 HIS CB C 13 27.9080 0.3 . 1 . . . A 54 HIS CB . 18514 1 503 . 1 1 47 47 HIS CD2 C 13 121.0300 0.3 . 1 . . . A 54 HIS CD2 . 18514 1 504 . 1 1 47 47 HIS CE1 C 13 137.4000 0.3 . 1 . . . A 54 HIS CE1 . 18514 1 505 . 1 1 47 47 HIS N N 15 121.1860 0.2 . 1 . . . A 54 HIS N . 18514 1 506 . 1 1 48 48 LYS H H 1 8.4700 0.02 . 1 . . . A 55 LYS H . 18514 1 507 . 1 1 48 48 LYS HA H 1 4.4610 0.02 . 1 . . . A 55 LYS HA . 18514 1 508 . 1 1 48 48 LYS HB2 H 1 1.7060 0.02 . 2 . . . A 55 LYS HB2 . 18514 1 509 . 1 1 48 48 LYS HB3 H 1 1.8920 0.02 . 2 . . . A 55 LYS HB3 . 18514 1 510 . 1 1 48 48 LYS HG2 H 1 1.4270 0.02 . 2 . . . A 55 LYS HG2 . 18514 1 511 . 1 1 48 48 LYS HG3 H 1 1.4270 0.02 . 2 . . . A 55 LYS HG3 . 18514 1 512 . 1 1 48 48 LYS HD2 H 1 1.6400 0.02 . 2 . . . A 55 LYS HD2 . 18514 1 513 . 1 1 48 48 LYS HD3 H 1 1.6400 0.02 . 2 . . . A 55 LYS HD3 . 18514 1 514 . 1 1 48 48 LYS HE2 H 1 2.9900 0.02 . 2 . . . A 55 LYS HE2 . 18514 1 515 . 1 1 48 48 LYS HE3 H 1 2.9900 0.02 . 2 . . . A 55 LYS HE3 . 18514 1 516 . 1 1 48 48 LYS C C 13 175.0660 0.3 . 1 . . . A 55 LYS C . 18514 1 517 . 1 1 48 48 LYS CA C 13 55.3200 0.3 . 1 . . . A 55 LYS CA . 18514 1 518 . 1 1 48 48 LYS CB C 13 34.1060 0.3 . 1 . . . A 55 LYS CB . 18514 1 519 . 1 1 48 48 LYS CG C 13 24.4120 0.3 . 1 . . . A 55 LYS CG . 18514 1 520 . 1 1 48 48 LYS CD C 13 28.5600 0.3 . 1 . . . A 55 LYS CD . 18514 1 521 . 1 1 48 48 LYS CE C 13 42.1000 0.3 . 1 . . . A 55 LYS CE . 18514 1 522 . 1 1 48 48 LYS N N 15 123.5560 0.2 . 1 . . . A 55 LYS N . 18514 1 523 . 1 1 49 49 GLU H H 1 8.5230 0.02 . 1 . . . A 56 GLU H . 18514 1 524 . 1 1 49 49 GLU HA H 1 4.3510 0.02 . 1 . . . A 56 GLU HA . 18514 1 525 . 1 1 49 49 GLU HB2 H 1 1.8900 0.02 . 2 . . . A 56 GLU HB2 . 18514 1 526 . 1 1 49 49 GLU HB3 H 1 1.9760 0.02 . 2 . . . A 56 GLU HB3 . 18514 1 527 . 1 1 49 49 GLU HG2 H 1 2.2500 0.02 . 2 . . . A 56 GLU HG2 . 18514 1 528 . 1 1 49 49 GLU HG3 H 1 2.2500 0.02 . 2 . . . A 56 GLU HG3 . 18514 1 529 . 1 1 49 49 GLU C C 13 173.2100 0.3 . 1 . . . A 56 GLU C . 18514 1 530 . 1 1 49 49 GLU CA C 13 56.3630 0.3 . 1 . . . A 56 GLU CA . 18514 1 531 . 1 1 49 49 GLU CB C 13 30.6230 0.3 . 1 . . . A 56 GLU CB . 18514 1 532 . 1 1 49 49 GLU CG C 13 36.3800 0.3 . 1 . . . A 56 GLU CG . 18514 1 533 . 1 1 49 49 GLU N N 15 121.1000 0.2 . 1 . . . A 56 GLU N . 18514 1 534 . 1 1 50 50 ASP H H 1 8.3960 0.02 . 1 . . . A 57 ASP H . 18514 1 535 . 1 1 50 50 ASP HA H 1 4.6690 0.02 . 1 . . . A 57 ASP HA . 18514 1 536 . 1 1 50 50 ASP HB2 H 1 2.6230 0.02 . 2 . . . A 57 ASP HB2 . 18514 1 537 . 1 1 50 50 ASP HB3 H 1 2.5200 0.02 . 2 . . . A 57 ASP HB3 . 18514 1 538 . 1 1 50 50 ASP C C 13 173.8450 0.3 . 1 . . . A 57 ASP C . 18514 1 539 . 1 1 50 50 ASP CA C 13 54.2910 0.3 . 1 . . . A 57 ASP CA . 18514 1 540 . 1 1 50 50 ASP CB C 13 41.4520 0.3 . 1 . . . A 57 ASP CB . 18514 1 541 . 1 1 50 50 ASP N N 15 121.5790 0.2 . 1 . . . A 57 ASP N . 18514 1 542 . 1 1 51 51 TYR H H 1 8.1760 0.02 . 1 . . . A 58 TYR H . 18514 1 543 . 1 1 51 51 TYR HA H 1 4.5170 0.02 . 1 . . . A 58 TYR HA . 18514 1 544 . 1 1 51 51 TYR HB2 H 1 3.0600 0.02 . 2 . . . A 58 TYR HB2 . 18514 1 545 . 1 1 51 51 TYR HB3 H 1 2.9800 0.02 . 2 . . . A 58 TYR HB3 . 18514 1 546 . 1 1 51 51 TYR HD1 H 1 7.1240 0.02 . 3 . . . A 58 TYR HD1 . 18514 1 547 . 1 1 51 51 TYR HD2 H 1 7.1240 0.02 . 3 . . . A 58 TYR HD2 . 18514 1 548 . 1 1 51 51 TYR HE1 H 1 6.8200 0.02 . 3 . . . A 58 TYR HE1 . 18514 1 549 . 1 1 51 51 TYR HE2 H 1 6.8200 0.02 . 3 . . . A 58 TYR HE2 . 18514 1 550 . 1 1 51 51 TYR C C 13 173.9680 0.3 . 1 . . . A 58 TYR C . 18514 1 551 . 1 1 51 51 TYR CA C 13 57.7960 0.3 . 1 . . . A 58 TYR CA . 18514 1 552 . 1 1 51 51 TYR CB C 13 38.9580 0.3 . 1 . . . A 58 TYR CB . 18514 1 553 . 1 1 51 51 TYR CD1 C 13 133.2700 0.3 . 1 . . . A 58 TYR CD1 . 18514 1 554 . 1 1 51 51 TYR CD2 C 13 133.2700 0.3 . 3 . . . A 58 TYR CD2 . 18514 1 555 . 1 1 51 51 TYR CE1 C 13 118.2000 0.3 . 1 . . . A 58 TYR CE1 . 18514 1 556 . 1 1 51 51 TYR CE2 C 13 118.2000 0.3 . 3 . . . A 58 TYR CE2 . 18514 1 557 . 1 1 51 51 TYR N N 15 120.8440 0.2 . 1 . . . A 58 TYR N . 18514 1 558 . 1 1 52 52 VAL H H 1 7.5400 0.02 . 1 . . . A 59 VAL H . 18514 1 559 . 1 1 52 52 VAL HA H 1 3.9900 0.02 . 1 . . . A 59 VAL HA . 18514 1 560 . 1 1 52 52 VAL HB H 1 2.0100 0.02 . 1 . . . A 59 VAL HB . 18514 1 561 . 1 1 52 52 VAL HG11 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG11 . 18514 1 562 . 1 1 52 52 VAL HG12 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG12 . 18514 1 563 . 1 1 52 52 VAL HG13 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG13 . 18514 1 564 . 1 1 52 52 VAL HG21 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG21 . 18514 1 565 . 1 1 52 52 VAL HG22 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG22 . 18514 1 566 . 1 1 52 52 VAL HG23 H 1 0.8640 0.02 . 2 . . . A 59 VAL HG23 . 18514 1 567 . 1 1 52 52 VAL C C 13 174.3920 0.3 . 1 . . . A 59 VAL C . 18514 1 568 . 1 1 52 52 VAL CA C 13 61.2850 0.3 . 1 . . . A 59 VAL CA . 18514 1 569 . 1 1 52 52 VAL CB C 13 33.5010 0.3 . 1 . . . A 59 VAL CB . 18514 1 570 . 1 1 52 52 VAL CG1 C 13 21.3000 0.3 . 2 . . . A 59 VAL CG1 . 18514 1 571 . 1 1 52 52 VAL CG2 C 13 21.3000 0.3 . 2 . . . A 59 VAL CG2 . 18514 1 572 . 1 1 52 52 VAL N N 15 125.9000 0.2 . 1 . . . A 59 VAL N . 18514 1 stop_ save_