################################### # 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 34500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34500 1 2 '2D 1H-13C HSQC' . . . 34500 1 3 '2D 1H-13C HSQC aromatic' . . . 34500 1 4 '3D HNCACB' . . . 34500 1 5 '3D HN(COCA)CB' . . . 34500 1 6 '3D HN(CA)CO' . . . 34500 1 7 '3D HNCO' . . . 34500 1 8 '3D HNHA' . . . 34500 1 9 '3D (H)CC(CO)NH' . . . 34500 1 10 '3D 1H-13C TOCSY' . . . 34500 1 11 '2D 1H-15N HETNOE' . . . 34500 1 12 '2D 1H-15N T1' . . . 34500 1 13 '2D 1H-15N T2' . . . 34500 1 14 '3D HN(CO)CA' . . . 34500 1 15 '3D 1H-15N TOCSY' . . . 34500 1 16 '3D CC(CO)NH' . . . 34500 1 17 '3D 1H-13C NOESY' . . . 34500 1 18 '3D 1H-13C NOESY aromatic' . . . 34500 1 19 '3D 1H-15N NOESY' . . . 34500 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA HA H 1 4.351 0.006 . . . . . . A 2 ALA HA . 34500 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.397 0.005 . . . . . . A 2 ALA HB1 . 34500 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.397 0.005 . . . . . . A 2 ALA HB2 . 34500 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.397 0.005 . . . . . . A 2 ALA HB3 . 34500 1 5 . 1 . 1 2 2 ALA C C 13 173.805 0.004 . . . . . . A 2 ALA C . 34500 1 6 . 1 . 1 2 2 ALA CA C 13 52.467 0.039 . . . . . . A 2 ALA CA . 34500 1 7 . 1 . 1 2 2 ALA CB C 13 19.229 0.054 . . . . . . A 2 ALA CB . 34500 1 8 . 1 . 1 3 3 MET H H 1 8.745 0.002 . . . . . . A 3 MET H . 34500 1 9 . 1 . 1 3 3 MET HA H 1 4.499 0.006 . . . . . . A 3 MET HA . 34500 1 10 . 1 . 1 3 3 MET HB2 H 1 2.059 0.010 . . . . . . A 3 MET HB2 . 34500 1 11 . 1 . 1 3 3 MET HB3 H 1 2.113 0.013 . . . . . . A 3 MET HB3 . 34500 1 12 . 1 . 1 3 3 MET HG2 H 1 2.568 0.009 . . . . . . A 3 MET HG2 . 34500 1 13 . 1 . 1 3 3 MET HG3 H 1 2.641 0.005 . . . . . . A 3 MET HG3 . 34500 1 14 . 1 . 1 3 3 MET C C 13 174.921 0.002 . . . . . . A 3 MET C . 34500 1 15 . 1 . 1 3 3 MET CA C 13 55.550 0.014 . . . . . . A 3 MET CA . 34500 1 16 . 1 . 1 3 3 MET CB C 13 32.465 0.050 . . . . . . A 3 MET CB . 34500 1 17 . 1 . 1 3 3 MET CG C 13 31.933 0.027 . . . . . . A 3 MET CG . 34500 1 18 . 1 . 1 3 3 MET N N 15 120.343 0.020 . . . . . . A 3 MET N . 34500 1 19 . 1 . 1 4 4 GLY H H 1 8.651 0.002 . . . . . . A 4 GLY H . 34500 1 20 . 1 . 1 4 4 GLY HA2 H 1 4.003 0.030 . . . . . . A 4 GLY HA2 . 34500 1 21 . 1 . 1 4 4 GLY HA3 H 1 4.045 0.031 . . . . . . A 4 GLY HA3 . 34500 1 22 . 1 . 1 4 4 GLY C C 13 177.479 0.012 . . . . . . A 4 GLY C . 34500 1 23 . 1 . 1 4 4 GLY CA C 13 45.183 0.014 . . . . . . A 4 GLY CA . 34500 1 24 . 1 . 1 4 4 GLY N N 15 111.232 0.025 . . . . . . A 4 GLY N . 34500 1 25 . 1 . 1 5 5 SER H H 1 8.399 0.003 . . . . . . A 5 SER H . 34500 1 26 . 1 . 1 5 5 SER HA H 1 4.456 0.010 . . . . . . A 5 SER HA . 34500 1 27 . 1 . 1 5 5 SER HB2 H 1 3.872 0.011 . . . . . . A 5 SER HB2 . 34500 1 28 . 1 . 1 5 5 SER HB3 H 1 3.944 0.009 . . . . . . A 5 SER HB3 . 34500 1 29 . 1 . 1 5 5 SER C C 13 176.813 0.001 . . . . . . A 5 SER C . 34500 1 30 . 1 . 1 5 5 SER CA C 13 58.491 0.085 . . . . . . A 5 SER CA . 34500 1 31 . 1 . 1 5 5 SER CB C 13 63.750 0.063 . . . . . . A 5 SER CB . 34500 1 32 . 1 . 1 5 5 SER N N 15 116.143 0.011 . . . . . . A 5 SER N . 34500 1 33 . 1 . 1 6 6 GLU H H 1 8.811 0.001 . . . . . . A 6 GLU H . 34500 1 34 . 1 . 1 6 6 GLU HA H 1 4.296 0.006 . . . . . . A 6 GLU HA . 34500 1 35 . 1 . 1 6 6 GLU HB2 H 1 1.993 0.010 . . . . . . A 6 GLU HB2 . 34500 1 36 . 1 . 1 6 6 GLU HB3 H 1 2.102 0.006 . . . . . . A 6 GLU HB3 . 34500 1 37 . 1 . 1 6 6 GLU HG2 H 1 2.293 0.005 . . . . . . A 6 GLU HG2 . 34500 1 38 . 1 . 1 6 6 GLU HG3 H 1 2.293 0.005 . . . . . . A 6 GLU HG3 . 34500 1 39 . 1 . 1 6 6 GLU C C 13 174.879 0.003 . . . . . . A 6 GLU C . 34500 1 40 . 1 . 1 6 6 GLU CA C 13 57.196 0.053 . . . . . . A 6 GLU CA . 34500 1 41 . 1 . 1 6 6 GLU CB C 13 29.658 0.066 . . . . . . A 6 GLU CB . 34500 1 42 . 1 . 1 6 6 GLU CG C 13 36.273 0.024 . . . . . . A 6 GLU CG . 34500 1 43 . 1 . 1 6 6 GLU N N 15 122.981 0.014 . . . . . . A 6 GLU N . 34500 1 44 . 1 . 1 7 7 SER H H 1 8.373 0.001 . . . . . . A 7 SER H . 34500 1 45 . 1 . 1 7 7 SER HA H 1 4.393 0.003 . . . . . . A 7 SER HA . 34500 1 46 . 1 . 1 7 7 SER HB2 H 1 3.862 0.005 . . . . . . A 7 SER HB2 . 34500 1 47 . 1 . 1 7 7 SER HB3 H 1 3.862 0.005 . . . . . . A 7 SER HB3 . 34500 1 48 . 1 . 1 7 7 SER C C 13 177.077 0.003 . . . . . . A 7 SER C . 34500 1 49 . 1 . 1 7 7 SER CA C 13 58.757 0.026 . . . . . . A 7 SER CA . 34500 1 50 . 1 . 1 7 7 SER CB C 13 63.547 0.050 . . . . . . A 7 SER CB . 34500 1 51 . 1 . 1 7 7 SER N N 15 116.105 0.019 . . . . . . A 7 SER N . 34500 1 52 . 1 . 1 8 8 GLU H H 1 8.370 0.002 . . . . . . A 8 GLU H . 34500 1 53 . 1 . 1 8 8 GLU HA H 1 4.251 0.006 . . . . . . A 8 GLU HA . 34500 1 54 . 1 . 1 8 8 GLU HB2 H 1 1.969 0.013 . . . . . . A 8 GLU HB2 . 34500 1 55 . 1 . 1 8 8 GLU HB3 H 1 2.060 0.010 . . . . . . A 8 GLU HB3 . 34500 1 56 . 1 . 1 8 8 GLU HG2 H 1 2.256 0.012 . . . . . . A 8 GLU HG2 . 34500 1 57 . 1 . 1 8 8 GLU HG3 H 1 2.256 0.012 . . . . . . A 8 GLU HG3 . 34500 1 58 . 1 . 1 8 8 GLU C C 13 175.312 0.008 . . . . . . A 8 GLU C . 34500 1 59 . 1 . 1 8 8 GLU CA C 13 56.647 0.018 . . . . . . A 8 GLU CA . 34500 1 60 . 1 . 1 8 8 GLU CB C 13 30.035 0.053 . . . . . . A 8 GLU CB . 34500 1 61 . 1 . 1 8 8 GLU CG C 13 36.300 0.030 . . . . . . A 8 GLU CG . 34500 1 62 . 1 . 1 8 8 GLU N N 15 122.790 0.014 . . . . . . A 8 GLU N . 34500 1 63 . 1 . 1 9 9 GLN H H 1 8.399 0.002 . . . . . . A 9 GLN H . 34500 1 64 . 1 . 1 9 9 GLN HA H 1 4.260 0.007 . . . . . . A 9 GLN HA . 34500 1 65 . 1 . 1 9 9 GLN HB2 H 1 1.950 0.015 . . . . . . A 9 GLN HB2 . 34500 1 66 . 1 . 1 9 9 GLN HB3 H 1 2.031 0.009 . . . . . . A 9 GLN HB3 . 34500 1 67 . 1 . 1 9 9 GLN HG2 H 1 2.327 0.005 . . . . . . A 9 GLN HG2 . 34500 1 68 . 1 . 1 9 9 GLN HG3 H 1 2.327 0.005 . . . . . . A 9 GLN HG3 . 34500 1 69 . 1 . 1 9 9 GLN C C 13 175.971 0.002 . . . . . . A 9 GLN C . 34500 1 70 . 1 . 1 9 9 GLN CA C 13 55.754 0.039 . . . . . . A 9 GLN CA . 34500 1 71 . 1 . 1 9 9 GLN CB C 13 29.080 0.055 . . . . . . A 9 GLN CB . 34500 1 72 . 1 . 1 9 9 GLN CG C 13 33.667 0.058 . . . . . . A 9 GLN CG . 34500 1 73 . 1 . 1 9 9 GLN N N 15 121.373 0.014 . . . . . . A 9 GLN N . 34500 1 74 . 1 . 1 10 10 ARG H H 1 8.400 0.003 . . . . . . A 10 ARG H . 34500 1 75 . 1 . 1 10 10 ARG HA H 1 4.261 0.006 . . . . . . A 10 ARG HA . 34500 1 76 . 1 . 1 10 10 ARG HB2 H 1 1.702 0.009 . . . . . . A 10 ARG HB2 . 34500 1 77 . 1 . 1 10 10 ARG HB3 H 1 1.722 0.004 . . . . . . A 10 ARG HB3 . 34500 1 78 . 1 . 1 10 10 ARG HG2 H 1 1.520 0.009 . . . . . . A 10 ARG HG2 . 34500 1 79 . 1 . 1 10 10 ARG HG3 H 1 1.541 0.005 . . . . . . A 10 ARG HG3 . 34500 1 80 . 1 . 1 10 10 ARG HD2 H 1 3.149 0.004 . . . . . . A 10 ARG HD2 . 34500 1 81 . 1 . 1 10 10 ARG HD3 H 1 3.149 0.004 . . . . . . A 10 ARG HD3 . 34500 1 82 . 1 . 1 10 10 ARG C C 13 175.825 0.010 . . . . . . A 10 ARG C . 34500 1 83 . 1 . 1 10 10 ARG CA C 13 56.003 0.042 . . . . . . A 10 ARG CA . 34500 1 84 . 1 . 1 10 10 ARG CB C 13 30.661 0.055 . . . . . . A 10 ARG CB . 34500 1 85 . 1 . 1 10 10 ARG CG C 13 27.073 0.021 . . . . . . A 10 ARG CG . 34500 1 86 . 1 . 1 10 10 ARG CD C 13 43.125 0.046 . . . . . . A 10 ARG CD . 34500 1 87 . 1 . 1 10 10 ARG N N 15 122.537 0.024 . . . . . . A 10 ARG N . 34500 1 88 . 1 . 1 11 11 HIS H H 1 8.400 0.004 . . . . . . A 11 HIS H . 34500 1 89 . 1 . 1 11 11 HIS HA H 1 4.633 0.003 . . . . . . A 11 HIS HA . 34500 1 90 . 1 . 1 11 11 HIS HB2 H 1 2.979 0.021 . . . . . . A 11 HIS HB2 . 34500 1 91 . 1 . 1 11 11 HIS HB3 H 1 3.088 0.010 . . . . . . A 11 HIS HB3 . 34500 1 92 . 1 . 1 11 11 HIS HD2 H 1 7.035 0.000 . . . . . . A 11 HIS HD2 . 34500 1 93 . 1 . 1 11 11 HIS HE1 H 1 7.969 0.000 . . . . . . A 11 HIS HE1 . 34500 1 94 . 1 . 1 11 11 HIS C C 13 176.899 0.004 . . . . . . A 11 HIS C . 34500 1 95 . 1 . 1 11 11 HIS CA C 13 55.566 0.019 . . . . . . A 11 HIS CA . 34500 1 96 . 1 . 1 11 11 HIS CB C 13 30.820 0.091 . . . . . . A 11 HIS CB . 34500 1 97 . 1 . 1 11 11 HIS CD2 C 13 120.092 0.000 . . . . . . A 11 HIS CD2 . 34500 1 98 . 1 . 1 11 11 HIS CE1 C 13 138.045 0.000 . . . . . . A 11 HIS CE1 . 34500 1 99 . 1 . 1 11 11 HIS N N 15 120.738 0.032 . . . . . . A 11 HIS N . 34500 1 100 . 1 . 1 12 12 ALA H H 1 8.350 0.002 . . . . . . A 12 ALA H . 34500 1 101 . 1 . 1 12 12 ALA HA H 1 4.266 0.005 . . . . . . A 12 ALA HA . 34500 1 102 . 1 . 1 12 12 ALA HB1 H 1 1.268 0.004 . . . . . . A 12 ALA HB1 . 34500 1 103 . 1 . 1 12 12 ALA HB2 H 1 1.268 0.004 . . . . . . A 12 ALA HB2 . 34500 1 104 . 1 . 1 12 12 ALA HB3 H 1 1.268 0.004 . . . . . . A 12 ALA HB3 . 34500 1 105 . 1 . 1 12 12 ALA C C 13 174.525 0.011 . . . . . . A 12 ALA C . 34500 1 106 . 1 . 1 12 12 ALA CA C 13 52.672 0.042 . . . . . . A 12 ALA CA . 34500 1 107 . 1 . 1 12 12 ALA CB C 13 19.137 0.053 . . . . . . A 12 ALA CB . 34500 1 108 . 1 . 1 12 12 ALA N N 15 124.588 0.017 . . . . . . A 12 ALA N . 34500 1 109 . 1 . 1 13 13 HIS H H 1 8.577 0.003 . . . . . . A 13 HIS H . 34500 1 110 . 1 . 1 13 13 HIS HA H 1 4.679 0.006 . . . . . . A 13 HIS HA . 34500 1 111 . 1 . 1 13 13 HIS HB2 H 1 3.062 0.006 . . . . . . A 13 HIS HB2 . 34500 1 112 . 1 . 1 13 13 HIS HB3 H 1 3.062 0.006 . . . . . . A 13 HIS HB3 . 34500 1 113 . 1 . 1 13 13 HIS HD2 H 1 7.035 0.000 . . . . . . A 13 HIS HD2 . 34500 1 114 . 1 . 1 13 13 HIS HE1 H 1 7.969 0.000 . . . . . . A 13 HIS HE1 . 34500 1 115 . 1 . 1 13 13 HIS C C 13 177.983 0.001 . . . . . . A 13 HIS C . 34500 1 116 . 1 . 1 13 13 HIS CA C 13 55.405 0.024 . . . . . . A 13 HIS CA . 34500 1 117 . 1 . 1 13 13 HIS CB C 13 30.732 0.124 . . . . . . A 13 HIS CB . 34500 1 118 . 1 . 1 13 13 HIS CD2 C 13 120.092 0.000 . . . . . . A 13 HIS CD2 . 34500 1 119 . 1 . 1 13 13 HIS CE1 C 13 138.045 0.000 . . . . . . A 13 HIS CE1 . 34500 1 120 . 1 . 1 13 13 HIS N N 15 117.948 0.012 . . . . . . A 13 HIS N . 34500 1 121 . 1 . 1 14 14 GLN H H 1 8.160 0.002 . . . . . . A 14 GLN H . 34500 1 122 . 1 . 1 14 14 GLN HA H 1 5.014 0.008 . . . . . . A 14 GLN HA . 34500 1 123 . 1 . 1 14 14 GLN HB2 H 1 1.725 0.020 . . . . . . A 14 GLN HB2 . 34500 1 124 . 1 . 1 14 14 GLN HB3 H 1 1.816 0.013 . . . . . . A 14 GLN HB3 . 34500 1 125 . 1 . 1 14 14 GLN HG2 H 1 2.059 0.015 . . . . . . A 14 GLN HG2 . 34500 1 126 . 1 . 1 14 14 GLN HG3 H 1 2.167 0.009 . . . . . . A 14 GLN HG3 . 34500 1 127 . 1 . 1 14 14 GLN C C 13 177.108 0.003 . . . . . . A 14 GLN C . 34500 1 128 . 1 . 1 14 14 GLN CA C 13 53.911 0.067 . . . . . . A 14 GLN CA . 34500 1 129 . 1 . 1 14 14 GLN CB C 13 31.920 0.055 . . . . . . A 14 GLN CB . 34500 1 130 . 1 . 1 14 14 GLN CG C 13 34.246 0.025 . . . . . . A 14 GLN CG . 34500 1 131 . 1 . 1 14 14 GLN N N 15 119.813 0.017 . . . . . . A 14 GLN N . 34500 1 132 . 1 . 1 15 15 CYS H H 1 8.997 0.001 . . . . . . A 15 CYS H . 34500 1 133 . 1 . 1 15 15 CYS HA H 1 4.158 0.007 . . . . . . A 15 CYS HA . 34500 1 134 . 1 . 1 15 15 CYS HB2 H 1 2.759 0.005 . . . . . . A 15 CYS HB2 . 34500 1 135 . 1 . 1 15 15 CYS HB3 H 1 3.389 0.005 . . . . . . A 15 CYS HB3 . 34500 1 136 . 1 . 1 15 15 CYS C C 13 173.330 0.016 . . . . . . A 15 CYS C . 34500 1 137 . 1 . 1 15 15 CYS CA C 13 59.484 0.054 . . . . . . A 15 CYS CA . 34500 1 138 . 1 . 1 15 15 CYS CB C 13 30.746 0.048 . . . . . . A 15 CYS CB . 34500 1 139 . 1 . 1 15 15 CYS N N 15 124.705 0.013 . . . . . . A 15 CYS N . 34500 1 140 . 1 . 1 16 16 VAL H H 1 9.106 0.002 . . . . . . A 16 VAL H . 34500 1 141 . 1 . 1 16 16 VAL HA H 1 4.216 0.007 . . . . . . A 16 VAL HA . 34500 1 142 . 1 . 1 16 16 VAL HB H 1 2.624 0.011 . . . . . . A 16 VAL HB . 34500 1 143 . 1 . 1 16 16 VAL HG11 H 1 1.199 0.004 . . . . . . A 16 VAL HG11 . 34500 1 144 . 1 . 1 16 16 VAL HG12 H 1 1.199 0.004 . . . . . . A 16 VAL HG12 . 34500 1 145 . 1 . 1 16 16 VAL HG13 H 1 1.199 0.004 . . . . . . A 16 VAL HG13 . 34500 1 146 . 1 . 1 16 16 VAL HG21 H 1 1.239 0.003 . . . . . . A 16 VAL HG21 . 34500 1 147 . 1 . 1 16 16 VAL HG22 H 1 1.239 0.003 . . . . . . A 16 VAL HG22 . 34500 1 148 . 1 . 1 16 16 VAL HG23 H 1 1.239 0.003 . . . . . . A 16 VAL HG23 . 34500 1 149 . 1 . 1 16 16 VAL C C 13 176.309 0.002 . . . . . . A 16 VAL C . 34500 1 150 . 1 . 1 16 16 VAL CA C 13 64.257 0.065 . . . . . . A 16 VAL CA . 34500 1 151 . 1 . 1 16 16 VAL CB C 13 31.724 0.064 . . . . . . A 16 VAL CB . 34500 1 152 . 1 . 1 16 16 VAL CG1 C 13 20.592 0.025 . . . . . . A 16 VAL CG1 . 34500 1 153 . 1 . 1 16 16 VAL CG2 C 13 21.642 0.013 . . . . . . A 16 VAL CG2 . 34500 1 154 . 1 . 1 16 16 VAL N N 15 129.022 0.021 . . . . . . A 16 VAL N . 34500 1 155 . 1 . 1 17 17 SER H H 1 9.086 0.002 . . . . . . A 17 SER H . 34500 1 156 . 1 . 1 17 17 SER HA H 1 4.892 0.005 . . . . . . A 17 SER HA . 34500 1 157 . 1 . 1 17 17 SER HB2 H 1 4.154 0.007 . . . . . . A 17 SER HB2 . 34500 1 158 . 1 . 1 17 17 SER HB3 H 1 4.317 0.005 . . . . . . A 17 SER HB3 . 34500 1 159 . 1 . 1 17 17 SER C C 13 176.557 0.014 . . . . . . A 17 SER C . 34500 1 160 . 1 . 1 17 17 SER CA C 13 60.512 0.020 . . . . . . A 17 SER CA . 34500 1 161 . 1 . 1 17 17 SER CB C 13 65.131 0.036 . . . . . . A 17 SER CB . 34500 1 162 . 1 . 1 17 17 SER N N 15 119.543 0.017 . . . . . . A 17 SER N . 34500 1 163 . 1 . 1 18 18 CYS H H 1 8.268 0.003 . . . . . . A 18 CYS H . 34500 1 164 . 1 . 1 18 18 CYS HA H 1 5.064 0.003 . . . . . . A 18 CYS HA . 34500 1 165 . 1 . 1 18 18 CYS HB2 H 1 2.511 0.009 . . . . . . A 18 CYS HB2 . 34500 1 166 . 1 . 1 18 18 CYS HB3 H 1 3.191 0.004 . . . . . . A 18 CYS HB3 . 34500 1 167 . 1 . 1 18 18 CYS C C 13 174.883 0.005 . . . . . . A 18 CYS C . 34500 1 168 . 1 . 1 18 18 CYS CA C 13 59.076 0.046 . . . . . . A 18 CYS CA . 34500 1 169 . 1 . 1 18 18 CYS CB C 13 32.632 0.036 . . . . . . A 18 CYS CB . 34500 1 170 . 1 . 1 18 18 CYS N N 15 119.796 0.020 . . . . . . A 18 CYS N . 34500 1 171 . 1 . 1 19 19 GLY H H 1 8.049 0.002 . . . . . . A 19 GLY H . 34500 1 172 . 1 . 1 19 19 GLY HA2 H 1 3.865 0.008 . . . . . . A 19 GLY HA2 . 34500 1 173 . 1 . 1 19 19 GLY HA3 H 1 4.252 0.005 . . . . . . A 19 GLY HA3 . 34500 1 174 . 1 . 1 19 19 GLY C C 13 178.165 0.002 . . . . . . A 19 GLY C . 34500 1 175 . 1 . 1 19 19 GLY CA C 13 46.064 0.022 . . . . . . A 19 GLY CA . 34500 1 176 . 1 . 1 19 19 GLY N N 15 112.999 0.056 . . . . . . A 19 GLY N . 34500 1 177 . 1 . 1 20 20 ILE H H 1 8.340 0.001 . . . . . . A 20 ILE H . 34500 1 178 . 1 . 1 20 20 ILE HA H 1 4.211 0.006 . . . . . . A 20 ILE HA . 34500 1 179 . 1 . 1 20 20 ILE HB H 1 2.112 0.008 . . . . . . A 20 ILE HB . 34500 1 180 . 1 . 1 20 20 ILE HG12 H 1 1.508 0.002 . . . . . . A 20 ILE HG12 . 34500 1 181 . 1 . 1 20 20 ILE HG13 H 1 1.508 0.002 . . . . . . A 20 ILE HG13 . 34500 1 182 . 1 . 1 20 20 ILE HG21 H 1 0.949 0.005 . . . . . . A 20 ILE HG21 . 34500 1 183 . 1 . 1 20 20 ILE HG22 H 1 0.949 0.005 . . . . . . A 20 ILE HG22 . 34500 1 184 . 1 . 1 20 20 ILE HG23 H 1 0.949 0.005 . . . . . . A 20 ILE HG23 . 34500 1 185 . 1 . 1 20 20 ILE HD11 H 1 0.957 0.009 . . . . . . A 20 ILE HD11 . 34500 1 186 . 1 . 1 20 20 ILE HD12 H 1 0.957 0.009 . . . . . . A 20 ILE HD12 . 34500 1 187 . 1 . 1 20 20 ILE HD13 H 1 0.957 0.009 . . . . . . A 20 ILE HD13 . 34500 1 188 . 1 . 1 20 20 ILE C C 13 177.182 0.001 . . . . . . A 20 ILE C . 34500 1 189 . 1 . 1 20 20 ILE CA C 13 62.116 0.041 . . . . . . A 20 ILE CA . 34500 1 190 . 1 . 1 20 20 ILE CB C 13 39.222 0.060 . . . . . . A 20 ILE CB . 34500 1 191 . 1 . 1 20 20 ILE CG1 C 13 28.262 0.061 . . . . . . A 20 ILE CG1 . 34500 1 192 . 1 . 1 20 20 ILE CG2 C 13 18.035 0.019 . . . . . . A 20 ILE CG2 . 34500 1 193 . 1 . 1 20 20 ILE CD1 C 13 14.412 0.025 . . . . . . A 20 ILE CD1 . 34500 1 194 . 1 . 1 20 20 ILE N N 15 122.722 0.009 . . . . . . A 20 ILE N . 34500 1 195 . 1 . 1 21 21 ASN H H 1 8.436 0.003 . . . . . . A 21 ASN H . 34500 1 196 . 1 . 1 21 21 ASN HA H 1 4.825 0.009 . . . . . . A 21 ASN HA . 34500 1 197 . 1 . 1 21 21 ASN HB2 H 1 2.733 0.008 . . . . . . A 21 ASN HB2 . 34500 1 198 . 1 . 1 21 21 ASN HB3 H 1 2.733 0.008 . . . . . . A 21 ASN HB3 . 34500 1 199 . 1 . 1 21 21 ASN C C 13 175.794 0.001 . . . . . . A 21 ASN C . 34500 1 200 . 1 . 1 21 21 ASN CA C 13 54.029 0.045 . . . . . . A 21 ASN CA . 34500 1 201 . 1 . 1 21 21 ASN CB C 13 38.426 0.049 . . . . . . A 21 ASN CB . 34500 1 202 . 1 . 1 21 21 ASN N N 15 122.688 0.026 . . . . . . A 21 ASN N . 34500 1 203 . 1 . 1 22 22 ILE H H 1 8.444 0.002 . . . . . . A 22 ILE H . 34500 1 204 . 1 . 1 22 22 ILE HA H 1 4.297 0.009 . . . . . . A 22 ILE HA . 34500 1 205 . 1 . 1 22 22 ILE HB H 1 1.891 0.009 . . . . . . A 22 ILE HB . 34500 1 206 . 1 . 1 22 22 ILE HG12 H 1 0.873 0.004 . . . . . . A 22 ILE HG12 . 34500 1 207 . 1 . 1 22 22 ILE HG13 H 1 1.283 0.006 . . . . . . A 22 ILE HG13 . 34500 1 208 . 1 . 1 22 22 ILE HG21 H 1 0.814 0.006 . . . . . . A 22 ILE HG21 . 34500 1 209 . 1 . 1 22 22 ILE HG22 H 1 0.814 0.006 . . . . . . A 22 ILE HG22 . 34500 1 210 . 1 . 1 22 22 ILE HG23 H 1 0.814 0.006 . . . . . . A 22 ILE HG23 . 34500 1 211 . 1 . 1 22 22 ILE HD11 H 1 0.593 0.009 . . . . . . A 22 ILE HD11 . 34500 1 212 . 1 . 1 22 22 ILE HD12 H 1 0.593 0.009 . . . . . . A 22 ILE HD12 . 34500 1 213 . 1 . 1 22 22 ILE HD13 H 1 0.593 0.009 . . . . . . A 22 ILE HD13 . 34500 1 214 . 1 . 1 22 22 ILE C C 13 175.981 0.004 . . . . . . A 22 ILE C . 34500 1 215 . 1 . 1 22 22 ILE CA C 13 60.494 0.062 . . . . . . A 22 ILE CA . 34500 1 216 . 1 . 1 22 22 ILE CB C 13 38.507 0.067 . . . . . . A 22 ILE CB . 34500 1 217 . 1 . 1 22 22 ILE CG1 C 13 26.903 0.032 . . . . . . A 22 ILE CG1 . 34500 1 218 . 1 . 1 22 22 ILE CG2 C 13 18.750 0.034 . . . . . . A 22 ILE CG2 . 34500 1 219 . 1 . 1 22 22 ILE CD1 C 13 13.788 0.036 . . . . . . A 22 ILE CD1 . 34500 1 220 . 1 . 1 22 22 ILE N N 15 122.060 0.033 . . . . . . A 22 ILE N . 34500 1 221 . 1 . 1 23 23 ALA H H 1 8.465 0.002 . . . . . . A 23 ALA H . 34500 1 222 . 1 . 1 23 23 ALA HA H 1 4.275 0.007 . . . . . . A 23 ALA HA . 34500 1 223 . 1 . 1 23 23 ALA HB1 H 1 1.393 0.005 . . . . . . A 23 ALA HB1 . 34500 1 224 . 1 . 1 23 23 ALA HB2 H 1 1.393 0.005 . . . . . . A 23 ALA HB2 . 34500 1 225 . 1 . 1 23 23 ALA HB3 H 1 1.393 0.005 . . . . . . A 23 ALA HB3 . 34500 1 226 . 1 . 1 23 23 ALA C C 13 173.261 0.014 . . . . . . A 23 ALA C . 34500 1 227 . 1 . 1 23 23 ALA CA C 13 53.094 0.072 . . . . . . A 23 ALA CA . 34500 1 228 . 1 . 1 23 23 ALA CB C 13 18.820 0.052 . . . . . . A 23 ALA CB . 34500 1 229 . 1 . 1 23 23 ALA N N 15 128.183 0.030 . . . . . . A 23 ALA N . 34500 1 230 . 1 . 1 24 24 GLY H H 1 8.749 0.005 . . . . . . A 24 GLY H . 34500 1 231 . 1 . 1 24 24 GLY HA2 H 1 3.844 0.008 . . . . . . A 24 GLY HA2 . 34500 1 232 . 1 . 1 24 24 GLY HA3 H 1 4.002 0.007 . . . . . . A 24 GLY HA3 . 34500 1 233 . 1 . 1 24 24 GLY C C 13 177.344 0.013 . . . . . . A 24 GLY C . 34500 1 234 . 1 . 1 24 24 GLY CA C 13 45.646 0.039 . . . . . . A 24 GLY CA . 34500 1 235 . 1 . 1 24 24 GLY N N 15 109.906 0.013 . . . . . . A 24 GLY N . 34500 1 236 . 1 . 1 25 25 MET H H 1 8.204 0.003 . . . . . . A 25 MET H . 34500 1 237 . 1 . 1 25 25 MET HA H 1 4.560 0.004 . . . . . . A 25 MET HA . 34500 1 238 . 1 . 1 25 25 MET HB2 H 1 2.021 0.006 . . . . . . A 25 MET HB2 . 34500 1 239 . 1 . 1 25 25 MET HB3 H 1 2.140 0.014 . . . . . . A 25 MET HB3 . 34500 1 240 . 1 . 1 25 25 MET HG2 H 1 2.500 0.015 . . . . . . A 25 MET HG2 . 34500 1 241 . 1 . 1 25 25 MET HG3 H 1 2.564 0.011 . . . . . . A 25 MET HG3 . 34500 1 242 . 1 . 1 25 25 MET C C 13 175.597 0.007 . . . . . . A 25 MET C . 34500 1 243 . 1 . 1 25 25 MET CA C 13 55.213 0.025 . . . . . . A 25 MET CA . 34500 1 244 . 1 . 1 25 25 MET CB C 13 32.707 0.037 . . . . . . A 25 MET CB . 34500 1 245 . 1 . 1 25 25 MET CG C 13 32.038 0.030 . . . . . . A 25 MET CG . 34500 1 246 . 1 . 1 25 25 MET N N 15 119.270 0.024 . . . . . . A 25 MET N . 34500 1 247 . 1 . 1 26 26 SER H H 1 8.558 0.004 . . . . . . A 26 SER H . 34500 1 248 . 1 . 1 26 26 SER HA H 1 4.415 0.008 . . . . . . A 26 SER HA . 34500 1 249 . 1 . 1 26 26 SER HB2 H 1 3.893 0.006 . . . . . . A 26 SER HB2 . 34500 1 250 . 1 . 1 26 26 SER HB3 H 1 3.893 0.006 . . . . . . A 26 SER HB3 . 34500 1 251 . 1 . 1 26 26 SER C C 13 177.547 0.000 . . . . . . A 26 SER C . 34500 1 252 . 1 . 1 26 26 SER CA C 13 58.552 0.052 . . . . . . A 26 SER CA . 34500 1 253 . 1 . 1 26 26 SER CB C 13 63.289 0.113 . . . . . . A 26 SER CB . 34500 1 254 . 1 . 1 26 26 SER N N 15 117.178 0.028 . . . . . . A 26 SER N . 34500 1 255 . 1 . 1 27 27 ALA H H 1 8.368 0.002 . . . . . . A 27 ALA H . 34500 1 256 . 1 . 1 27 27 ALA HA H 1 4.387 0.005 . . . . . . A 27 ALA HA . 34500 1 257 . 1 . 1 27 27 ALA HB1 H 1 1.317 0.005 . . . . . . A 27 ALA HB1 . 34500 1 258 . 1 . 1 27 27 ALA HB2 H 1 1.317 0.005 . . . . . . A 27 ALA HB2 . 34500 1 259 . 1 . 1 27 27 ALA HB3 H 1 1.317 0.005 . . . . . . A 27 ALA HB3 . 34500 1 260 . 1 . 1 27 27 ALA C C 13 175.352 0.010 . . . . . . A 27 ALA C . 34500 1 261 . 1 . 1 27 27 ALA CA C 13 52.214 0.040 . . . . . . A 27 ALA CA . 34500 1 262 . 1 . 1 27 27 ALA CB C 13 19.657 0.062 . . . . . . A 27 ALA CB . 34500 1 263 . 1 . 1 27 27 ALA N N 15 125.699 0.022 . . . . . . A 27 ALA N . 34500 1 264 . 1 . 1 28 28 ALA H H 1 8.326 0.003 . . . . . . A 28 ALA H . 34500 1 265 . 1 . 1 28 28 ALA HA H 1 4.541 0.008 . . . . . . A 28 ALA HA . 34500 1 266 . 1 . 1 28 28 ALA HB1 H 1 1.394 0.007 . . . . . . A 28 ALA HB1 . 34500 1 267 . 1 . 1 28 28 ALA HB2 H 1 1.394 0.007 . . . . . . A 28 ALA HB2 . 34500 1 268 . 1 . 1 28 28 ALA HB3 H 1 1.394 0.007 . . . . . . A 28 ALA HB3 . 34500 1 269 . 1 . 1 28 28 ALA C C 13 174.575 0.006 . . . . . . A 28 ALA C . 34500 1 270 . 1 . 1 28 28 ALA CA C 13 51.937 0.042 . . . . . . A 28 ALA CA . 34500 1 271 . 1 . 1 28 28 ALA CB C 13 19.880 0.093 . . . . . . A 28 ALA CB . 34500 1 272 . 1 . 1 28 28 ALA N N 15 122.695 0.021 . . . . . . A 28 ALA N . 34500 1 273 . 1 . 1 29 29 THR H H 1 8.201 0.002 . . . . . . A 29 THR H . 34500 1 274 . 1 . 1 29 29 THR HA H 1 4.912 0.008 . . . . . . A 29 THR HA . 34500 1 275 . 1 . 1 29 29 THR HB H 1 3.902 0.006 . . . . . . A 29 THR HB . 34500 1 276 . 1 . 1 29 29 THR HG21 H 1 1.043 0.006 . . . . . . A 29 THR HG21 . 34500 1 277 . 1 . 1 29 29 THR HG22 H 1 1.043 0.006 . . . . . . A 29 THR HG22 . 34500 1 278 . 1 . 1 29 29 THR HG23 H 1 1.043 0.006 . . . . . . A 29 THR HG23 . 34500 1 279 . 1 . 1 29 29 THR C C 13 178.204 0.004 . . . . . . A 29 THR C . 34500 1 280 . 1 . 1 29 29 THR CA C 13 61.754 0.028 . . . . . . A 29 THR CA . 34500 1 281 . 1 . 1 29 29 THR CB C 13 70.548 0.022 . . . . . . A 29 THR CB . 34500 1 282 . 1 . 1 29 29 THR CG2 C 13 21.701 0.027 . . . . . . A 29 THR CG2 . 34500 1 283 . 1 . 1 29 29 THR N N 15 115.936 0.012 . . . . . . A 29 THR N . 34500 1 284 . 1 . 1 30 30 PHE H H 1 8.998 0.002 . . . . . . A 30 PHE H . 34500 1 285 . 1 . 1 30 30 PHE HA H 1 4.814 0.007 . . . . . . A 30 PHE HA . 34500 1 286 . 1 . 1 30 30 PHE HB2 H 1 3.005 0.020 . . . . . . A 30 PHE HB2 . 34500 1 287 . 1 . 1 30 30 PHE HB3 H 1 3.075 0.017 . . . . . . A 30 PHE HB3 . 34500 1 288 . 1 . 1 30 30 PHE HD1 H 1 7.023 0.000 . . . . . . A 30 PHE HD1 . 34500 1 289 . 1 . 1 30 30 PHE HD2 H 1 7.023 0.000 . . . . . . A 30 PHE HD2 . 34500 1 290 . 1 . 1 30 30 PHE HE1 H 1 6.894 0.000 . . . . . . A 30 PHE HE1 . 34500 1 291 . 1 . 1 30 30 PHE HE2 H 1 6.894 0.000 . . . . . . A 30 PHE HE2 . 34500 1 292 . 1 . 1 30 30 PHE HZ H 1 6.329 0.000 . . . . . . A 30 PHE HZ . 34500 1 293 . 1 . 1 30 30 PHE C C 13 179.675 0.014 . . . . . . A 30 PHE C . 34500 1 294 . 1 . 1 30 30 PHE CA C 13 55.966 0.013 . . . . . . A 30 PHE CA . 34500 1 295 . 1 . 1 30 30 PHE CB C 13 40.554 0.046 . . . . . . A 30 PHE CB . 34500 1 296 . 1 . 1 30 30 PHE CD1 C 13 132.527 0.000 . . . . . . A 30 PHE CD1 . 34500 1 297 . 1 . 1 30 30 PHE CE2 C 13 130.651 0.000 . . . . . . A 30 PHE CE2 . 34500 1 298 . 1 . 1 30 30 PHE CZ C 13 129.069 0.000 . . . . . . A 30 PHE CZ . 34500 1 299 . 1 . 1 30 30 PHE N N 15 124.843 0.021 . . . . . . A 30 PHE N . 34500 1 300 . 1 . 1 31 31 LYS H H 1 8.241 0.003 . . . . . . A 31 LYS H . 34500 1 301 . 1 . 1 31 31 LYS HA H 1 4.506 0.009 . . . . . . A 31 LYS HA . 34500 1 302 . 1 . 1 31 31 LYS HB2 H 1 1.352 0.013 . . . . . . A 31 LYS HB2 . 34500 1 303 . 1 . 1 31 31 LYS HB3 H 1 1.460 0.033 . . . . . . A 31 LYS HB3 . 34500 1 304 . 1 . 1 31 31 LYS HG2 H 1 1.187 0.005 . . . . . . A 31 LYS HG2 . 34500 1 305 . 1 . 1 31 31 LYS HG3 H 1 1.355 0.004 . . . . . . A 31 LYS HG3 . 34500 1 306 . 1 . 1 31 31 LYS HD2 H 1 1.547 0.000 . . . . . . A 31 LYS HD2 . 34500 1 307 . 1 . 1 31 31 LYS HD3 H 1 1.547 0.000 . . . . . . A 31 LYS HD3 . 34500 1 308 . 1 . 1 31 31 LYS HE2 H 1 2.965 0.017 . . . . . . A 31 LYS HE2 . 34500 1 309 . 1 . 1 31 31 LYS HE3 H 1 2.965 0.017 . . . . . . A 31 LYS HE3 . 34500 1 310 . 1 . 1 31 31 LYS C C 13 176.509 0.016 . . . . . . A 31 LYS C . 34500 1 311 . 1 . 1 31 31 LYS CA C 13 54.035 0.018 . . . . . . A 31 LYS CA . 34500 1 312 . 1 . 1 31 31 LYS CB C 13 33.781 0.046 . . . . . . A 31 LYS CB . 34500 1 313 . 1 . 1 31 31 LYS CG C 13 25.029 0.018 . . . . . . A 31 LYS CG . 34500 1 314 . 1 . 1 31 31 LYS CD C 13 28.957 0.000 . . . . . . A 31 LYS CD . 34500 1 315 . 1 . 1 31 31 LYS CE C 13 41.844 0.104 . . . . . . A 31 LYS CE . 34500 1 316 . 1 . 1 31 31 LYS N N 15 120.224 0.019 . . . . . . A 31 LYS N . 34500 1 317 . 1 . 1 32 32 CYS H H 1 9.136 0.002 . . . . . . A 32 CYS H . 34500 1 318 . 1 . 1 32 32 CYS HA H 1 4.333 0.010 . . . . . . A 32 CYS HA . 34500 1 319 . 1 . 1 32 32 CYS HB2 H 1 3.112 0.005 . . . . . . A 32 CYS HB2 . 34500 1 320 . 1 . 1 32 32 CYS HB3 H 1 3.112 0.005 . . . . . . A 32 CYS HB3 . 34500 1 321 . 1 . 1 32 32 CYS C C 13 174.978 0.000 . . . . . . A 32 CYS C . 34500 1 322 . 1 . 1 32 32 CYS CA C 13 57.443 0.074 . . . . . . A 32 CYS CA . 34500 1 323 . 1 . 1 32 32 CYS CB C 13 31.679 0.060 . . . . . . A 32 CYS CB . 34500 1 324 . 1 . 1 32 32 CYS N N 15 127.311 0.046 . . . . . . A 32 CYS N . 34500 1 325 . 1 . 1 33 33 PRO HA H 1 4.131 0.006 . . . . . . A 33 PRO HA . 34500 1 326 . 1 . 1 33 33 PRO HB2 H 1 1.394 0.005 . . . . . . A 33 PRO HB2 . 34500 1 327 . 1 . 1 33 33 PRO HB3 H 1 2.202 0.006 . . . . . . A 33 PRO HB3 . 34500 1 328 . 1 . 1 33 33 PRO HG2 H 1 1.745 0.012 . . . . . . A 33 PRO HG2 . 34500 1 329 . 1 . 1 33 33 PRO HG3 H 1 1.926 0.007 . . . . . . A 33 PRO HG3 . 34500 1 330 . 1 . 1 33 33 PRO HD2 H 1 3.791 0.003 . . . . . . A 33 PRO HD2 . 34500 1 331 . 1 . 1 33 33 PRO HD3 H 1 4.087 0.005 . . . . . . A 33 PRO HD3 . 34500 1 332 . 1 . 1 33 33 PRO C C 13 175.884 0.003 . . . . . . A 33 PRO C . 34500 1 333 . 1 . 1 33 33 PRO CA C 13 64.356 0.056 . . . . . . A 33 PRO CA . 34500 1 334 . 1 . 1 33 33 PRO CB C 13 32.559 0.070 . . . . . . A 33 PRO CB . 34500 1 335 . 1 . 1 33 33 PRO CG C 13 27.363 0.014 . . . . . . A 33 PRO CG . 34500 1 336 . 1 . 1 33 33 PRO CD C 13 52.235 0.019 . . . . . . A 33 PRO CD . 34500 1 337 . 1 . 1 34 34 ASP H H 1 8.632 0.003 . . . . . . A 34 ASP H . 34500 1 338 . 1 . 1 34 34 ASP HA H 1 4.698 0.004 . . . . . . A 34 ASP HA . 34500 1 339 . 1 . 1 34 34 ASP HB2 H 1 2.143 0.004 . . . . . . A 34 ASP HB2 . 34500 1 340 . 1 . 1 34 34 ASP HB3 H 1 2.917 0.006 . . . . . . A 34 ASP HB3 . 34500 1 341 . 1 . 1 34 34 ASP C C 13 174.221 0.013 . . . . . . A 34 ASP C . 34500 1 342 . 1 . 1 34 34 ASP CA C 13 55.309 0.027 . . . . . . A 34 ASP CA . 34500 1 343 . 1 . 1 34 34 ASP CB C 13 42.880 0.065 . . . . . . A 34 ASP CB . 34500 1 344 . 1 . 1 34 34 ASP N N 15 121.286 0.024 . . . . . . A 34 ASP N . 34500 1 345 . 1 . 1 35 35 CYS H H 1 8.735 0.003 . . . . . . A 35 CYS H . 34500 1 346 . 1 . 1 35 35 CYS HA H 1 4.923 0.003 . . . . . . A 35 CYS HA . 34500 1 347 . 1 . 1 35 35 CYS HB2 H 1 2.735 0.005 . . . . . . A 35 CYS HB2 . 34500 1 348 . 1 . 1 35 35 CYS HB3 H 1 3.225 0.007 . . . . . . A 35 CYS HB3 . 34500 1 349 . 1 . 1 35 35 CYS C C 13 174.183 0.005 . . . . . . A 35 CYS C . 34500 1 350 . 1 . 1 35 35 CYS CA C 13 59.236 0.031 . . . . . . A 35 CYS CA . 34500 1 351 . 1 . 1 35 35 CYS CB C 13 32.519 0.040 . . . . . . A 35 CYS CB . 34500 1 352 . 1 . 1 35 35 CYS N N 15 119.202 0.016 . . . . . . A 35 CYS N . 34500 1 353 . 1 . 1 36 36 GLY H H 1 8.039 0.002 . . . . . . A 36 GLY H . 34500 1 354 . 1 . 1 36 36 GLY HA2 H 1 3.749 0.008 . . . . . . A 36 GLY HA2 . 34500 1 355 . 1 . 1 36 36 GLY HA3 H 1 4.191 0.014 . . . . . . A 36 GLY HA3 . 34500 1 356 . 1 . 1 36 36 GLY C C 13 178.533 0.010 . . . . . . A 36 GLY C . 34500 1 357 . 1 . 1 36 36 GLY CA C 13 46.097 0.029 . . . . . . A 36 GLY CA . 34500 1 358 . 1 . 1 36 36 GLY N N 15 112.816 0.033 . . . . . . A 36 GLY N . 34500 1 359 . 1 . 1 37 37 GLN H H 1 8.683 0.007 . . . . . . A 37 GLN H . 34500 1 360 . 1 . 1 37 37 GLN HA H 1 4.188 0.004 . . . . . . A 37 GLN HA . 34500 1 361 . 1 . 1 37 37 GLN HB2 H 1 2.021 0.001 . . . . . . A 37 GLN HB2 . 34500 1 362 . 1 . 1 37 37 GLN HB3 H 1 2.151 0.012 . . . . . . A 37 GLN HB3 . 34500 1 363 . 1 . 1 37 37 GLN HG2 H 1 2.411 0.013 . . . . . . A 37 GLN HG2 . 34500 1 364 . 1 . 1 37 37 GLN HG3 H 1 2.480 0.011 . . . . . . A 37 GLN HG3 . 34500 1 365 . 1 . 1 37 37 GLN C C 13 176.544 0.009 . . . . . . A 37 GLN C . 34500 1 366 . 1 . 1 37 37 GLN CA C 13 55.990 0.055 . . . . . . A 37 GLN CA . 34500 1 367 . 1 . 1 37 37 GLN CB C 13 29.927 0.053 . . . . . . A 37 GLN CB . 34500 1 368 . 1 . 1 37 37 GLN CG C 13 34.088 0.084 . . . . . . A 37 GLN CG . 34500 1 369 . 1 . 1 37 37 GLN N N 15 123.235 0.038 . . . . . . A 37 GLN N . 34500 1 370 . 1 . 1 38 38 GLU H H 1 8.648 0.002 . . . . . . A 38 GLU H . 34500 1 371 . 1 . 1 38 38 GLU HA H 1 4.313 0.005 . . . . . . A 38 GLU HA . 34500 1 372 . 1 . 1 38 38 GLU HB2 H 1 1.794 0.017 . . . . . . A 38 GLU HB2 . 34500 1 373 . 1 . 1 38 38 GLU HB3 H 1 1.864 0.011 . . . . . . A 38 GLU HB3 . 34500 1 374 . 1 . 1 38 38 GLU HG2 H 1 1.983 0.005 . . . . . . A 38 GLU HG2 . 34500 1 375 . 1 . 1 38 38 GLU HG3 H 1 2.234 0.006 . . . . . . A 38 GLU HG3 . 34500 1 376 . 1 . 1 38 38 GLU C C 13 176.020 0.004 . . . . . . A 38 GLU C . 34500 1 377 . 1 . 1 38 38 GLU CA C 13 57.309 0.075 . . . . . . A 38 GLU CA . 34500 1 378 . 1 . 1 38 38 GLU CB C 13 30.164 0.069 . . . . . . A 38 GLU CB . 34500 1 379 . 1 . 1 38 38 GLU CG C 13 37.299 0.023 . . . . . . A 38 GLU CG . 34500 1 380 . 1 . 1 38 38 GLU N N 15 123.274 0.022 . . . . . . A 38 GLU N . 34500 1 381 . 1 . 1 39 39 ILE H H 1 8.978 0.002 . . . . . . A 39 ILE H . 34500 1 382 . 1 . 1 39 39 ILE HA H 1 4.171 0.009 . . . . . . A 39 ILE HA . 34500 1 383 . 1 . 1 39 39 ILE HB H 1 1.039 0.011 . . . . . . A 39 ILE HB . 34500 1 384 . 1 . 1 39 39 ILE HG12 H 1 0.873 0.004 . . . . . . A 39 ILE HG12 . 34500 1 385 . 1 . 1 39 39 ILE HG13 H 1 1.285 0.005 . . . . . . A 39 ILE HG13 . 34500 1 386 . 1 . 1 39 39 ILE HG21 H 1 0.685 0.009 . . . . . . A 39 ILE HG21 . 34500 1 387 . 1 . 1 39 39 ILE HG22 H 1 0.685 0.009 . . . . . . A 39 ILE HG22 . 34500 1 388 . 1 . 1 39 39 ILE HG23 H 1 0.685 0.009 . . . . . . A 39 ILE HG23 . 34500 1 389 . 1 . 1 39 39 ILE HD11 H 1 0.907 0.002 . . . . . . A 39 ILE HD11 . 34500 1 390 . 1 . 1 39 39 ILE HD12 H 1 0.907 0.002 . . . . . . A 39 ILE HD12 . 34500 1 391 . 1 . 1 39 39 ILE HD13 H 1 0.907 0.002 . . . . . . A 39 ILE HD13 . 34500 1 392 . 1 . 1 39 39 ILE C C 13 177.498 0.007 . . . . . . A 39 ILE C . 34500 1 393 . 1 . 1 39 39 ILE CA C 13 60.277 0.016 . . . . . . A 39 ILE CA . 34500 1 394 . 1 . 1 39 39 ILE CB C 13 40.558 0.109 . . . . . . A 39 ILE CB . 34500 1 395 . 1 . 1 39 39 ILE CG1 C 13 26.903 0.032 . . . . . . A 39 ILE CG1 . 34500 1 396 . 1 . 1 39 39 ILE CG2 C 13 18.729 0.033 . . . . . . A 39 ILE CG2 . 34500 1 397 . 1 . 1 39 39 ILE CD1 C 13 13.848 0.044 . . . . . . A 39 ILE CD1 . 34500 1 398 . 1 . 1 39 39 ILE N N 15 126.393 0.010 . . . . . . A 39 ILE N . 34500 1 399 . 1 . 1 40 40 SER H H 1 8.588 0.002 . . . . . . A 40 SER H . 34500 1 400 . 1 . 1 40 40 SER HA H 1 5.105 0.008 . . . . . . A 40 SER HA . 34500 1 401 . 1 . 1 40 40 SER HB2 H 1 3.490 0.007 . . . . . . A 40 SER HB2 . 34500 1 402 . 1 . 1 40 40 SER HB3 H 1 3.646 0.008 . . . . . . A 40 SER HB3 . 34500 1 403 . 1 . 1 40 40 SER C C 13 179.004 0.006 . . . . . . A 40 SER C . 34500 1 404 . 1 . 1 40 40 SER CA C 13 57.735 0.044 . . . . . . A 40 SER CA . 34500 1 405 . 1 . 1 40 40 SER CB C 13 64.842 0.107 . . . . . . A 40 SER CB . 34500 1 406 . 1 . 1 40 40 SER N N 15 120.166 0.032 . . . . . . A 40 SER N . 34500 1 407 . 1 . 1 41 41 ARG H H 1 8.572 0.002 . . . . . . A 41 ARG H . 34500 1 408 . 1 . 1 41 41 ARG HA H 1 5.751 0.007 . . . . . . A 41 ARG HA . 34500 1 409 . 1 . 1 41 41 ARG HB2 H 1 1.500 0.018 . . . . . . A 41 ARG HB2 . 34500 1 410 . 1 . 1 41 41 ARG HB3 H 1 1.771 0.004 . . . . . . A 41 ARG HB3 . 34500 1 411 . 1 . 1 41 41 ARG HG2 H 1 1.578 0.004 . . . . . . A 41 ARG HG2 . 34500 1 412 . 1 . 1 41 41 ARG HG3 H 1 1.578 0.004 . . . . . . A 41 ARG HG3 . 34500 1 413 . 1 . 1 41 41 ARG C C 13 176.431 0.011 . . . . . . A 41 ARG C . 34500 1 414 . 1 . 1 41 41 ARG CA C 13 54.419 0.077 . . . . . . A 41 ARG CA . 34500 1 415 . 1 . 1 41 41 ARG CB C 13 34.853 0.051 . . . . . . A 41 ARG CB . 34500 1 416 . 1 . 1 41 41 ARG CG C 13 28.605 0.027 . . . . . . A 41 ARG CG . 34500 1 417 . 1 . 1 41 41 ARG CD C 13 43.958 0.000 . . . . . . A 41 ARG CD . 34500 1 418 . 1 . 1 41 41 ARG N N 15 123.233 0.019 . . . . . . A 41 ARG N . 34500 1 419 . 1 . 1 42 42 CYS H H 1 10.002 0.003 . . . . . . A 42 CYS H . 34500 1 420 . 1 . 1 42 42 CYS HA H 1 4.702 0.008 . . . . . . A 42 CYS HA . 34500 1 421 . 1 . 1 42 42 CYS HB2 H 1 2.721 0.009 . . . . . . A 42 CYS HB2 . 34500 1 422 . 1 . 1 42 42 CYS HB3 H 1 3.528 0.006 . . . . . . A 42 CYS HB3 . 34500 1 423 . 1 . 1 42 42 CYS C C 13 177.146 0.003 . . . . . . A 42 CYS C . 34500 1 424 . 1 . 1 42 42 CYS CA C 13 58.247 0.053 . . . . . . A 42 CYS CA . 34500 1 425 . 1 . 1 42 42 CYS CB C 13 31.534 0.048 . . . . . . A 42 CYS CB . 34500 1 426 . 1 . 1 42 42 CYS N N 15 127.371 0.024 . . . . . . A 42 CYS N . 34500 1 427 . 1 . 1 43 43 SER H H 1 8.713 0.002 . . . . . . A 43 SER H . 34500 1 428 . 1 . 1 43 43 SER HA H 1 4.021 0.014 . . . . . . A 43 SER HA . 34500 1 429 . 1 . 1 43 43 SER HB2 H 1 3.962 0.006 . . . . . . A 43 SER HB2 . 34500 1 430 . 1 . 1 43 43 SER HB3 H 1 3.962 0.006 . . . . . . A 43 SER HB3 . 34500 1 431 . 1 . 1 43 43 SER C C 13 175.538 0.030 . . . . . . A 43 SER C . 34500 1 432 . 1 . 1 43 43 SER CA C 13 61.748 0.049 . . . . . . A 43 SER CA . 34500 1 433 . 1 . 1 43 43 SER CB C 13 62.603 0.026 . . . . . . A 43 SER CB . 34500 1 434 . 1 . 1 43 43 SER N N 15 114.806 0.024 . . . . . . A 43 SER N . 34500 1 435 . 1 . 1 44 44 LYS H H 1 8.092 0.002 . . . . . . A 44 LYS H . 34500 1 436 . 1 . 1 44 44 LYS HA H 1 4.078 0.007 . . . . . . A 44 LYS HA . 34500 1 437 . 1 . 1 44 44 LYS HB2 H 1 1.958 0.012 . . . . . . A 44 LYS HB2 . 34500 1 438 . 1 . 1 44 44 LYS HB3 H 1 2.039 0.007 . . . . . . A 44 LYS HB3 . 34500 1 439 . 1 . 1 44 44 LYS HG2 H 1 1.352 0.006 . . . . . . A 44 LYS HG2 . 34500 1 440 . 1 . 1 44 44 LYS HG3 H 1 1.490 0.010 . . . . . . A 44 LYS HG3 . 34500 1 441 . 1 . 1 44 44 LYS HD2 H 1 1.695 0.005 . . . . . . A 44 LYS HD2 . 34500 1 442 . 1 . 1 44 44 LYS HD3 H 1 1.695 0.005 . . . . . . A 44 LYS HD3 . 34500 1 443 . 1 . 1 44 44 LYS HE2 H 1 2.974 0.006 . . . . . . A 44 LYS HE2 . 34500 1 444 . 1 . 1 44 44 LYS HE3 H 1 2.974 0.006 . . . . . . A 44 LYS HE3 . 34500 1 445 . 1 . 1 44 44 LYS C C 13 172.822 0.008 . . . . . . A 44 LYS C . 34500 1 446 . 1 . 1 44 44 LYS CA C 13 60.116 0.057 . . . . . . A 44 LYS CA . 34500 1 447 . 1 . 1 44 44 LYS CB C 13 32.460 0.024 . . . . . . A 44 LYS CB . 34500 1 448 . 1 . 1 44 44 LYS CG C 13 25.239 0.027 . . . . . . A 44 LYS CG . 34500 1 449 . 1 . 1 44 44 LYS CD C 13 29.121 0.069 . . . . . . A 44 LYS CD . 34500 1 450 . 1 . 1 44 44 LYS CE C 13 41.844 0.104 . . . . . . A 44 LYS CE . 34500 1 451 . 1 . 1 44 44 LYS N N 15 124.719 0.027 . . . . . . A 44 LYS N . 34500 1 452 . 1 . 1 45 45 CYS H H 1 8.999 0.002 . . . . . . A 45 CYS H . 34500 1 453 . 1 . 1 45 45 CYS HA H 1 3.962 0.005 . . . . . . A 45 CYS HA . 34500 1 454 . 1 . 1 45 45 CYS HB2 H 1 2.921 0.011 . . . . . . A 45 CYS HB2 . 34500 1 455 . 1 . 1 45 45 CYS HB3 H 1 2.970 0.014 . . . . . . A 45 CYS HB3 . 34500 1 456 . 1 . 1 45 45 CYS C C 13 173.223 0.011 . . . . . . A 45 CYS C . 34500 1 457 . 1 . 1 45 45 CYS CA C 13 65.315 0.051 . . . . . . A 45 CYS CA . 34500 1 458 . 1 . 1 45 45 CYS CB C 13 28.139 0.055 . . . . . . A 45 CYS CB . 34500 1 459 . 1 . 1 45 45 CYS N N 15 123.734 0.013 . . . . . . A 45 CYS N . 34500 1 460 . 1 . 1 46 46 ARG H H 1 8.284 0.002 . . . . . . A 46 ARG H . 34500 1 461 . 1 . 1 46 46 ARG HA H 1 3.948 0.003 . . . . . . A 46 ARG HA . 34500 1 462 . 1 . 1 46 46 ARG HB2 H 1 1.800 0.013 . . . . . . A 46 ARG HB2 . 34500 1 463 . 1 . 1 46 46 ARG HB3 H 1 1.882 0.012 . . . . . . A 46 ARG HB3 . 34500 1 464 . 1 . 1 46 46 ARG HG2 H 1 1.431 0.003 . . . . . . A 46 ARG HG2 . 34500 1 465 . 1 . 1 46 46 ARG HG3 H 1 1.720 0.011 . . . . . . A 46 ARG HG3 . 34500 1 466 . 1 . 1 46 46 ARG HD2 H 1 3.175 0.009 . . . . . . A 46 ARG HD2 . 34500 1 467 . 1 . 1 46 46 ARG HD3 H 1 3.175 0.009 . . . . . . A 46 ARG HD3 . 34500 1 468 . 1 . 1 46 46 ARG C C 13 173.049 0.005 . . . . . . A 46 ARG C . 34500 1 469 . 1 . 1 46 46 ARG CA C 13 59.092 0.014 . . . . . . A 46 ARG CA . 34500 1 470 . 1 . 1 46 46 ARG CB C 13 30.138 0.073 . . . . . . A 46 ARG CB . 34500 1 471 . 1 . 1 46 46 ARG CG C 13 27.719 0.068 . . . . . . A 46 ARG CG . 34500 1 472 . 1 . 1 46 46 ARG CD C 13 43.514 0.000 . . . . . . A 46 ARG CD . 34500 1 473 . 1 . 1 46 46 ARG N N 15 117.871 0.020 . . . . . . A 46 ARG N . 34500 1 474 . 1 . 1 47 47 LYS H H 1 7.970 0.004 . . . . . . A 47 LYS H . 34500 1 475 . 1 . 1 47 47 LYS HA H 1 4.062 0.004 . . . . . . A 47 LYS HA . 34500 1 476 . 1 . 1 47 47 LYS HB2 H 1 1.959 0.010 . . . . . . A 47 LYS HB2 . 34500 1 477 . 1 . 1 47 47 LYS HB3 H 1 1.959 0.010 . . . . . . A 47 LYS HB3 . 34500 1 478 . 1 . 1 47 47 LYS HG2 H 1 1.488 0.010 . . . . . . A 47 LYS HG2 . 34500 1 479 . 1 . 1 47 47 LYS HG3 H 1 1.576 0.007 . . . . . . A 47 LYS HG3 . 34500 1 480 . 1 . 1 47 47 LYS HE2 H 1 2.973 0.006 . . . . . . A 47 LYS HE2 . 34500 1 481 . 1 . 1 47 47 LYS HE3 H 1 2.973 0.006 . . . . . . A 47 LYS HE3 . 34500 1 482 . 1 . 1 47 47 LYS C C 13 173.755 0.017 . . . . . . A 47 LYS C . 34500 1 483 . 1 . 1 47 47 LYS CA C 13 58.556 0.042 . . . . . . A 47 LYS CA . 34500 1 484 . 1 . 1 47 47 LYS CB C 13 32.372 0.077 . . . . . . A 47 LYS CB . 34500 1 485 . 1 . 1 47 47 LYS CG C 13 25.253 0.028 . . . . . . A 47 LYS CG . 34500 1 486 . 1 . 1 47 47 LYS CE C 13 41.785 0.020 . . . . . . A 47 LYS CE . 34500 1 487 . 1 . 1 47 47 LYS N N 15 119.531 0.032 . . . . . . A 47 LYS N . 34500 1 488 . 1 . 1 48 48 GLN H H 1 7.809 0.003 . . . . . . A 48 GLN H . 34500 1 489 . 1 . 1 48 48 GLN HA H 1 4.199 0.007 . . . . . . A 48 GLN HA . 34500 1 490 . 1 . 1 48 48 GLN HB2 H 1 2.029 0.007 . . . . . . A 48 GLN HB2 . 34500 1 491 . 1 . 1 48 48 GLN HB3 H 1 2.189 0.005 . . . . . . A 48 GLN HB3 . 34500 1 492 . 1 . 1 48 48 GLN HG2 H 1 2.401 0.010 . . . . . . A 48 GLN HG2 . 34500 1 493 . 1 . 1 48 48 GLN HG3 H 1 2.528 0.008 . . . . . . A 48 GLN HG3 . 34500 1 494 . 1 . 1 48 48 GLN C C 13 176.197 0.008 . . . . . . A 48 GLN C . 34500 1 495 . 1 . 1 48 48 GLN CA C 13 56.454 0.066 . . . . . . A 48 GLN CA . 34500 1 496 . 1 . 1 48 48 GLN CB C 13 28.955 0.053 . . . . . . A 48 GLN CB . 34500 1 497 . 1 . 1 48 48 GLN CG C 13 34.044 0.056 . . . . . . A 48 GLN CG . 34500 1 498 . 1 . 1 48 48 GLN N N 15 116.500 0.023 . . . . . . A 48 GLN N . 34500 1 499 . 1 . 1 49 49 SER H H 1 7.802 0.003 . . . . . . A 49 SER H . 34500 1 500 . 1 . 1 49 49 SER HA H 1 4.247 0.007 . . . . . . A 49 SER HA . 34500 1 501 . 1 . 1 49 49 SER HB2 H 1 3.962 0.006 . . . . . . A 49 SER HB2 . 34500 1 502 . 1 . 1 49 49 SER HB3 H 1 3.962 0.006 . . . . . . A 49 SER HB3 . 34500 1 503 . 1 . 1 49 49 SER C C 13 178.179 0.000 . . . . . . A 49 SER C . 34500 1 504 . 1 . 1 49 49 SER CA C 13 57.947 0.043 . . . . . . A 49 SER CA . 34500 1 505 . 1 . 1 49 49 SER CB C 13 62.595 0.026 . . . . . . A 49 SER CB . 34500 1 506 . 1 . 1 49 49 SER N N 15 111.988 0.020 . . . . . . A 49 SER N . 34500 1 507 . 1 . 1 50 50 ASN HA H 1 4.717 0.002 . . . . . . A 50 ASN HA . 34500 1 508 . 1 . 1 50 50 ASN HB2 H 1 2.702 0.009 . . . . . . A 50 ASN HB2 . 34500 1 509 . 1 . 1 50 50 ASN HB3 H 1 2.905 0.006 . . . . . . A 50 ASN HB3 . 34500 1 510 . 1 . 1 50 50 ASN C C 13 176.459 0.007 . . . . . . A 50 ASN C . 34500 1 511 . 1 . 1 50 50 ASN CA C 13 53.225 0.033 . . . . . . A 50 ASN CA . 34500 1 512 . 1 . 1 50 50 ASN CB C 13 38.529 0.048 . . . . . . A 50 ASN CB . 34500 1 513 . 1 . 1 51 51 LEU H H 1 8.075 0.002 . . . . . . A 51 LEU H . 34500 1 514 . 1 . 1 51 51 LEU HA H 1 4.609 0.003 . . . . . . A 51 LEU HA . 34500 1 515 . 1 . 1 51 51 LEU HB2 H 1 1.576 0.013 . . . . . . A 51 LEU HB2 . 34500 1 516 . 1 . 1 51 51 LEU HB3 H 1 1.603 0.008 . . . . . . A 51 LEU HB3 . 34500 1 517 . 1 . 1 51 51 LEU HG H 1 1.718 0.004 . . . . . . A 51 LEU HG . 34500 1 518 . 1 . 1 51 51 LEU HD11 H 1 0.843 0.006 . . . . . . A 51 LEU HD11 . 34500 1 519 . 1 . 1 51 51 LEU HD12 H 1 0.843 0.006 . . . . . . A 51 LEU HD12 . 34500 1 520 . 1 . 1 51 51 LEU HD13 H 1 0.843 0.006 . . . . . . A 51 LEU HD13 . 34500 1 521 . 1 . 1 51 51 LEU HD21 H 1 0.881 0.005 . . . . . . A 51 LEU HD21 . 34500 1 522 . 1 . 1 51 51 LEU HD22 H 1 0.881 0.005 . . . . . . A 51 LEU HD22 . 34500 1 523 . 1 . 1 51 51 LEU HD23 H 1 0.881 0.005 . . . . . . A 51 LEU HD23 . 34500 1 524 . 1 . 1 51 51 LEU C C 13 174.645 0.011 . . . . . . A 51 LEU C . 34500 1 525 . 1 . 1 51 51 LEU CA C 13 55.502 0.094 . . . . . . A 51 LEU CA . 34500 1 526 . 1 . 1 51 51 LEU CB C 13 42.187 0.037 . . . . . . A 51 LEU CB . 34500 1 527 . 1 . 1 51 51 LEU CG C 13 27.253 0.030 . . . . . . A 51 LEU CG . 34500 1 528 . 1 . 1 51 51 LEU CD1 C 13 23.634 0.029 . . . . . . A 51 LEU CD1 . 34500 1 529 . 1 . 1 51 51 LEU CD2 C 13 25.150 0.031 . . . . . . A 51 LEU CD2 . 34500 1 530 . 1 . 1 51 51 LEU N N 15 121.594 0.023 . . . . . . A 51 LEU N . 34500 1 531 . 1 . 1 52 52 TYR H H 1 8.062 0.005 . . . . . . A 52 TYR H . 34500 1 532 . 1 . 1 52 52 TYR HA H 1 4.857 0.013 . . . . . . A 52 TYR HA . 34500 1 533 . 1 . 1 52 52 TYR HB2 H 1 2.774 0.000 . . . . . . A 52 TYR HB2 . 34500 1 534 . 1 . 1 52 52 TYR HB3 H 1 2.774 0.000 . . . . . . A 52 TYR HB3 . 34500 1 535 . 1 . 1 52 52 TYR HD1 H 1 6.829 0.000 . . . . . . A 52 TYR HD1 . 34500 1 536 . 1 . 1 52 52 TYR HD2 H 1 6.829 0.000 . . . . . . A 52 TYR HD2 . 34500 1 537 . 1 . 1 52 52 TYR HE1 H 1 6.699 0.000 . . . . . . A 52 TYR HE1 . 34500 1 538 . 1 . 1 52 52 TYR HE2 H 1 6.699 0.000 . . . . . . A 52 TYR HE2 . 34500 1 539 . 1 . 1 52 52 TYR C C 13 180.042 0.000 . . . . . . A 52 TYR C . 34500 1 540 . 1 . 1 52 52 TYR CA C 13 56.171 0.043 . . . . . . A 52 TYR CA . 34500 1 541 . 1 . 1 52 52 TYR CB C 13 41.364 0.083 . . . . . . A 52 TYR CB . 34500 1 542 . 1 . 1 52 52 TYR CD1 C 13 133.472 0.000 . . . . . . A 52 TYR CD1 . 34500 1 543 . 1 . 1 52 52 TYR CE2 C 13 117.618 0.000 . . . . . . A 52 TYR CE2 . 34500 1 544 . 1 . 1 52 52 TYR N N 15 117.767 0.025 . . . . . . A 52 TYR N . 34500 1 545 . 1 . 1 53 53 GLU H H 1 8.114 0.002 . . . . . . A 53 GLU H . 34500 1 546 . 1 . 1 53 53 GLU HA H 1 5.296 0.013 . . . . . . A 53 GLU HA . 34500 1 547 . 1 . 1 53 53 GLU HB2 H 1 1.791 0.007 . . . . . . A 53 GLU HB2 . 34500 1 548 . 1 . 1 53 53 GLU HB3 H 1 1.791 0.007 . . . . . . A 53 GLU HB3 . 34500 1 549 . 1 . 1 53 53 GLU HG2 H 1 1.895 0.008 . . . . . . A 53 GLU HG2 . 34500 1 550 . 1 . 1 53 53 GLU HG3 H 1 2.064 0.006 . . . . . . A 53 GLU HG3 . 34500 1 551 . 1 . 1 53 53 GLU C C 13 175.973 0.003 . . . . . . A 53 GLU C . 34500 1 552 . 1 . 1 53 53 GLU CA C 13 53.012 0.048 . . . . . . A 53 GLU CA . 34500 1 553 . 1 . 1 53 53 GLU CB C 13 32.885 0.107 . . . . . . A 53 GLU CB . 34500 1 554 . 1 . 1 53 53 GLU CG C 13 36.039 0.016 . . . . . . A 53 GLU CG . 34500 1 555 . 1 . 1 53 53 GLU N N 15 120.709 0.020 . . . . . . A 53 GLU N . 34500 1 556 . 1 . 1 54 54 CYS H H 1 9.765 0.003 . . . . . . A 54 CYS H . 34500 1 557 . 1 . 1 54 54 CYS HA H 1 4.720 0.013 . . . . . . A 54 CYS HA . 34500 1 558 . 1 . 1 54 54 CYS HB2 H 1 3.492 0.009 . . . . . . A 54 CYS HB2 . 34500 1 559 . 1 . 1 54 54 CYS HB3 H 1 3.526 0.010 . . . . . . A 54 CYS HB3 . 34500 1 560 . 1 . 1 54 54 CYS C C 13 175.141 0.000 . . . . . . A 54 CYS C . 34500 1 561 . 1 . 1 54 54 CYS CA C 13 57.165 0.025 . . . . . . A 54 CYS CA . 34500 1 562 . 1 . 1 54 54 CYS CB C 13 32.692 0.027 . . . . . . A 54 CYS CB . 34500 1 563 . 1 . 1 54 54 CYS N N 15 130.734 0.017 . . . . . . A 54 CYS N . 34500 1 564 . 1 . 1 55 55 PRO HA H 1 4.500 0.004 . . . . . . A 55 PRO HA . 34500 1 565 . 1 . 1 55 55 PRO HB2 H 1 2.062 0.005 . . . . . . A 55 PRO HB2 . 34500 1 566 . 1 . 1 55 55 PRO HB3 H 1 2.398 0.006 . . . . . . A 55 PRO HB3 . 34500 1 567 . 1 . 1 55 55 PRO HG2 H 1 2.094 0.010 . . . . . . A 55 PRO HG2 . 34500 1 568 . 1 . 1 55 55 PRO HG3 H 1 2.144 0.013 . . . . . . A 55 PRO HG3 . 34500 1 569 . 1 . 1 55 55 PRO HD2 H 1 4.181 0.015 . . . . . . A 55 PRO HD2 . 34500 1 570 . 1 . 1 55 55 PRO HD3 H 1 4.319 0.009 . . . . . . A 55 PRO HD3 . 34500 1 571 . 1 . 1 55 55 PRO C C 13 175.893 0.003 . . . . . . A 55 PRO C . 34500 1 572 . 1 . 1 55 55 PRO CA C 13 64.052 0.040 . . . . . . A 55 PRO CA . 34500 1 573 . 1 . 1 55 55 PRO CB C 13 32.378 0.083 . . . . . . A 55 PRO CB . 34500 1 574 . 1 . 1 55 55 PRO CG C 13 26.741 0.019 . . . . . . A 55 PRO CG . 34500 1 575 . 1 . 1 55 55 PRO CD C 13 51.648 0.019 . . . . . . A 55 PRO CD . 34500 1 576 . 1 . 1 56 56 ASP H H 1 9.049 0.003 . . . . . . A 56 ASP H . 34500 1 577 . 1 . 1 56 56 ASP HA H 1 4.823 0.004 . . . . . . A 56 ASP HA . 34500 1 578 . 1 . 1 56 56 ASP HB2 H 1 2.538 0.005 . . . . . . A 56 ASP HB2 . 34500 1 579 . 1 . 1 56 56 ASP HB3 H 1 2.754 0.005 . . . . . . A 56 ASP HB3 . 34500 1 580 . 1 . 1 56 56 ASP C C 13 174.690 0.003 . . . . . . A 56 ASP C . 34500 1 581 . 1 . 1 56 56 ASP CA C 13 56.454 0.040 . . . . . . A 56 ASP CA . 34500 1 582 . 1 . 1 56 56 ASP CB C 13 43.114 0.048 . . . . . . A 56 ASP CB . 34500 1 583 . 1 . 1 56 56 ASP N N 15 121.849 0.015 . . . . . . A 56 ASP N . 34500 1 584 . 1 . 1 57 57 CYS H H 1 9.010 0.003 . . . . . . A 57 CYS H . 34500 1 585 . 1 . 1 57 57 CYS HA H 1 5.067 0.003 . . . . . . A 57 CYS HA . 34500 1 586 . 1 . 1 57 57 CYS HB2 H 1 2.638 0.010 . . . . . . A 57 CYS HB2 . 34500 1 587 . 1 . 1 57 57 CYS HB3 H 1 3.350 0.004 . . . . . . A 57 CYS HB3 . 34500 1 588 . 1 . 1 57 57 CYS C C 13 174.443 0.006 . . . . . . A 57 CYS C . 34500 1 589 . 1 . 1 57 57 CYS CA C 13 58.781 0.045 . . . . . . A 57 CYS CA . 34500 1 590 . 1 . 1 57 57 CYS CB C 13 32.981 0.054 . . . . . . A 57 CYS CB . 34500 1 591 . 1 . 1 57 57 CYS N N 15 120.170 0.014 . . . . . . A 57 CYS N . 34500 1 592 . 1 . 1 58 58 GLY H H 1 7.886 0.003 . . . . . . A 58 GLY H . 34500 1 593 . 1 . 1 58 58 GLY HA2 H 1 3.930 0.005 . . . . . . A 58 GLY HA2 . 34500 1 594 . 1 . 1 58 58 GLY HA3 H 1 4.270 0.004 . . . . . . A 58 GLY HA3 . 34500 1 595 . 1 . 1 58 58 GLY C C 13 178.288 0.002 . . . . . . A 58 GLY C . 34500 1 596 . 1 . 1 58 58 GLY CA C 13 45.939 0.034 . . . . . . A 58 GLY CA . 34500 1 597 . 1 . 1 58 58 GLY N N 15 112.225 0.018 . . . . . . A 58 GLY N . 34500 1 598 . 1 . 1 59 59 PHE H H 1 9.255 0.003 . . . . . . A 59 PHE H . 34500 1 599 . 1 . 1 59 59 PHE HA H 1 4.154 0.003 . . . . . . A 59 PHE HA . 34500 1 600 . 1 . 1 59 59 PHE HB2 H 1 2.957 0.010 . . . . . . A 59 PHE HB2 . 34500 1 601 . 1 . 1 59 59 PHE HB3 H 1 3.380 0.010 . . . . . . A 59 PHE HB3 . 34500 1 602 . 1 . 1 59 59 PHE HD1 H 1 7.201 0.000 . . . . . . A 59 PHE HD1 . 34500 1 603 . 1 . 1 59 59 PHE HD2 H 1 7.201 0.000 . . . . . . A 59 PHE HD2 . 34500 1 604 . 1 . 1 59 59 PHE HE1 H 1 7.313 0.000 . . . . . . A 59 PHE HE1 . 34500 1 605 . 1 . 1 59 59 PHE HE2 H 1 7.313 0.000 . . . . . . A 59 PHE HE2 . 34500 1 606 . 1 . 1 59 59 PHE HZ H 1 7.244 0.000 . . . . . . A 59 PHE HZ . 34500 1 607 . 1 . 1 59 59 PHE C C 13 178.283 0.004 . . . . . . A 59 PHE C . 34500 1 608 . 1 . 1 59 59 PHE CA C 13 60.426 0.048 . . . . . . A 59 PHE CA . 34500 1 609 . 1 . 1 59 59 PHE CB C 13 40.594 0.059 . . . . . . A 59 PHE CB . 34500 1 610 . 1 . 1 59 59 PHE CD1 C 13 132.232 0.000 . . . . . . A 59 PHE CD1 . 34500 1 611 . 1 . 1 59 59 PHE CE2 C 13 131.121 0.000 . . . . . . A 59 PHE CE2 . 34500 1 612 . 1 . 1 59 59 PHE CZ C 13 129.596 0.000 . . . . . . A 59 PHE CZ . 34500 1 613 . 1 . 1 59 59 PHE N N 15 126.192 0.019 . . . . . . A 59 PHE N . 34500 1 614 . 1 . 1 60 60 MET H H 1 7.388 0.002 . . . . . . A 60 MET H . 34500 1 615 . 1 . 1 60 60 MET HA H 1 4.795 0.011 . . . . . . A 60 MET HA . 34500 1 616 . 1 . 1 60 60 MET HB2 H 1 1.624 0.003 . . . . . . A 60 MET HB2 . 34500 1 617 . 1 . 1 60 60 MET HB3 H 1 1.853 0.005 . . . . . . A 60 MET HB3 . 34500 1 618 . 1 . 1 60 60 MET HG2 H 1 2.386 0.006 . . . . . . A 60 MET HG2 . 34500 1 619 . 1 . 1 60 60 MET HG3 H 1 2.542 0.006 . . . . . . A 60 MET HG3 . 34500 1 620 . 1 . 1 60 60 MET C C 13 177.651 0.010 . . . . . . A 60 MET C . 34500 1 621 . 1 . 1 60 60 MET CA C 13 53.418 0.068 . . . . . . A 60 MET CA . 34500 1 622 . 1 . 1 60 60 MET CB C 13 32.966 0.048 . . . . . . A 60 MET CB . 34500 1 623 . 1 . 1 60 60 MET CG C 13 31.608 0.014 . . . . . . A 60 MET CG . 34500 1 624 . 1 . 1 60 60 MET N N 15 126.541 0.009 . . . . . . A 60 MET N . 34500 1 625 . 1 . 1 61 61 GLY H H 1 7.462 0.002 . . . . . . A 61 GLY H . 34500 1 626 . 1 . 1 61 61 GLY HA2 H 1 2.918 0.005 . . . . . . A 61 GLY HA2 . 34500 1 627 . 1 . 1 61 61 GLY HA3 H 1 3.879 0.007 . . . . . . A 61 GLY HA3 . 34500 1 628 . 1 . 1 61 61 GLY C C 13 172.296 0.000 . . . . . . A 61 GLY C . 34500 1 629 . 1 . 1 61 61 GLY CA C 13 43.522 0.033 . . . . . . A 61 GLY CA . 34500 1 630 . 1 . 1 61 61 GLY N N 15 111.082 0.015 . . . . . . A 61 GLY N . 34500 1 631 . 1 . 1 62 62 PRO HA H 1 4.246 0.007 . . . . . . A 62 PRO HA . 34500 1 632 . 1 . 1 62 62 PRO HB2 H 1 2.182 0.005 . . . . . . A 62 PRO HB2 . 34500 1 633 . 1 . 1 62 62 PRO HB3 H 1 2.399 0.009 . . . . . . A 62 PRO HB3 . 34500 1 634 . 1 . 1 62 62 PRO HG2 H 1 1.807 0.005 . . . . . . A 62 PRO HG2 . 34500 1 635 . 1 . 1 62 62 PRO HG3 H 1 1.807 0.005 . . . . . . A 62 PRO HG3 . 34500 1 636 . 1 . 1 62 62 PRO HD2 H 1 3.484 0.013 . . . . . . A 62 PRO HD2 . 34500 1 637 . 1 . 1 62 62 PRO HD3 H 1 3.538 0.012 . . . . . . A 62 PRO HD3 . 34500 1 638 . 1 . 1 62 62 PRO CA C 13 63.955 0.036 . . . . . . A 62 PRO CA . 34500 1 639 . 1 . 1 62 62 PRO CB C 13 34.910 0.040 . . . . . . A 62 PRO CB . 34500 1 640 . 1 . 1 62 62 PRO CG C 13 25.124 0.039 . . . . . . A 62 PRO CG . 34500 1 641 . 1 . 1 62 62 PRO CD C 13 50.109 0.018 . . . . . . A 62 PRO CD . 34500 1 stop_ save_