################################### # 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 30944 _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30944 1 2 '2D 1H-13C HSQC' . . . 30944 1 3 '3D 1H-13C NOESY aliphatic' . . . 30944 1 4 '3D 1H-13C NOESY aromatic' . . . 30944 1 5 '3D 1H-15N NOESY' . . . 30944 1 6 '3D HNCO' . . . 30944 1 7 '3D HNCACB' . . . 30944 1 8 '3D HCACO' . . . 30944 1 9 '3D CBCA(CO)NH' . . . 30944 1 10 '3D HBHA(CO)NH' . . . 30944 1 11 '2D CB(CGCC-TOCSY)Haro' . . . 30944 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 1 1 SER HA H 1 4.134 0.009 . 1 . . . . A 1 SER HA . 30944 1 2 . 1 . 1 1 1 SER HB2 H 1 3.946 0.001 . 2 . . . . A 1 SER HB2 . 30944 1 3 . 1 . 1 1 1 SER HB3 H 1 3.988 0.002 . 2 . . . . A 1 SER HB3 . 30944 1 4 . 1 . 1 1 1 SER C C 13 170.427 0.000 . 1 . . . . A 1 SER C . 30944 1 5 . 1 . 1 1 1 SER CA C 13 57.430 0.030 . 1 . . . . A 1 SER CA . 30944 1 6 . 1 . 1 1 1 SER CB C 13 63.272 0.002 . 1 . . . . A 1 SER CB . 30944 1 7 . 1 . 1 2 2 ALA H H 1 8.677 0.002 . 1 . . . . A 2 ALA H . 30944 1 8 . 1 . 1 2 2 ALA HA H 1 4.401 0.008 . 1 . . . . A 2 ALA HA . 30944 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB1 . 30944 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB2 . 30944 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.353 0.003 . 1 . . . . A 2 ALA HB3 . 30944 1 12 . 1 . 1 2 2 ALA C C 13 177.184 0.002 . 1 . . . . A 2 ALA C . 30944 1 13 . 1 . 1 2 2 ALA CA C 13 52.529 0.113 . 1 . . . . A 2 ALA CA . 30944 1 14 . 1 . 1 2 2 ALA CB C 13 19.588 0.148 . 1 . . . . A 2 ALA CB . 30944 1 15 . 1 . 1 2 2 ALA N N 15 124.903 0.009 . 1 . . . . A 2 ALA N . 30944 1 16 . 1 . 1 3 3 VAL H H 1 8.164 0.007 . 1 . . . . A 3 VAL H . 30944 1 17 . 1 . 1 3 3 VAL HA H 1 3.992 0.002 . 1 . . . . A 3 VAL HA . 30944 1 18 . 1 . 1 3 3 VAL HB H 1 1.885 0.005 . 1 . . . . A 3 VAL HB . 30944 1 19 . 1 . 1 3 3 VAL HG11 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG11 . 30944 1 20 . 1 . 1 3 3 VAL HG12 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG12 . 30944 1 21 . 1 . 1 3 3 VAL HG13 H 1 0.742 0.003 . 1 . . . . A 3 VAL HG13 . 30944 1 22 . 1 . 1 3 3 VAL HG21 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG21 . 30944 1 23 . 1 . 1 3 3 VAL HG22 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG22 . 30944 1 24 . 1 . 1 3 3 VAL HG23 H 1 0.844 0.004 . 1 . . . . A 3 VAL HG23 . 30944 1 25 . 1 . 1 3 3 VAL C C 13 175.901 0.009 . 1 . . . . A 3 VAL C . 30944 1 26 . 1 . 1 3 3 VAL CA C 13 62.328 0.030 . 1 . . . . A 3 VAL CA . 30944 1 27 . 1 . 1 3 3 VAL CB C 13 32.665 0.023 . 1 . . . . A 3 VAL CB . 30944 1 28 . 1 . 1 3 3 VAL CG1 C 13 21.051 0.050 . 1 . . . . A 3 VAL CG1 . 30944 1 29 . 1 . 1 3 3 VAL CG2 C 13 20.465 0.004 . 1 . . . . A 3 VAL CG2 . 30944 1 30 . 1 . 1 3 3 VAL N N 15 120.072 0.016 . 1 . . . . A 3 VAL N . 30944 1 31 . 1 . 1 4 4 LEU H H 1 8.220 0.003 . 1 . . . . A 4 LEU H . 30944 1 32 . 1 . 1 4 4 LEU HA H 1 4.352 0.003 . 1 . . . . A 4 LEU HA . 30944 1 33 . 1 . 1 4 4 LEU HB2 H 1 1.517 0.005 . 1 . . . . A 4 LEU HB2 . 30944 1 34 . 1 . 1 4 4 LEU HB3 H 1 1.435 0.004 . 1 . . . . A 4 LEU HB3 . 30944 1 35 . 1 . 1 4 4 LEU HG H 1 1.515 0.005 . 1 . . . . A 4 LEU HG . 30944 1 36 . 1 . 1 4 4 LEU HD11 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD11 . 30944 1 37 . 1 . 1 4 4 LEU HD12 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD12 . 30944 1 38 . 1 . 1 4 4 LEU HD13 H 1 0.794 0.002 . 1 . . . . A 4 LEU HD13 . 30944 1 39 . 1 . 1 4 4 LEU HD21 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD21 . 30944 1 40 . 1 . 1 4 4 LEU HD22 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD22 . 30944 1 41 . 1 . 1 4 4 LEU HD23 H 1 0.852 0.005 . 1 . . . . A 4 LEU HD23 . 30944 1 42 . 1 . 1 4 4 LEU C C 13 176.954 0.004 . 1 . . . . A 4 LEU C . 30944 1 43 . 1 . 1 4 4 LEU CA C 13 54.963 0.009 . 1 . . . . A 4 LEU CA . 30944 1 44 . 1 . 1 4 4 LEU CB C 13 42.322 0.017 . 1 . . . . A 4 LEU CB . 30944 1 45 . 1 . 1 4 4 LEU CG C 13 26.969 0.008 . 1 . . . . A 4 LEU CG . 30944 1 46 . 1 . 1 4 4 LEU CD1 C 13 23.472 0.000 . 1 . . . . A 4 LEU CD1 . 30944 1 47 . 1 . 1 4 4 LEU CD2 C 13 24.917 0.065 . 1 . . . . A 4 LEU CD2 . 30944 1 48 . 1 . 1 4 4 LEU N N 15 126.157 0.005 . 1 . . . . A 4 LEU N . 30944 1 49 . 1 . 1 5 5 TRP H H 1 8.094 0.004 . 1 . . . . A 5 TRP H . 30944 1 50 . 1 . 1 5 5 TRP HA H 1 4.597 0.015 . 1 . . . . A 5 TRP HA . 30944 1 51 . 1 . 1 5 5 TRP HB2 H 1 3.222 0.003 . 2 . . . . A 5 TRP HB2 . 30944 1 52 . 1 . 1 5 5 TRP HB3 H 1 3.222 0.003 . 2 . . . . A 5 TRP HB3 . 30944 1 53 . 1 . 1 5 5 TRP HD1 H 1 7.206 0.004 . 1 . . . . A 5 TRP HD1 . 30944 1 54 . 1 . 1 5 5 TRP HE1 H 1 10.123 0.001 . 1 . . . . A 5 TRP HE1 . 30944 1 55 . 1 . 1 5 5 TRP HE3 H 1 7.551 0.005 . 1 . . . . A 5 TRP HE3 . 30944 1 56 . 1 . 1 5 5 TRP HZ2 H 1 7.425 0.008 . 1 . . . . A 5 TRP HZ2 . 30944 1 57 . 1 . 1 5 5 TRP HZ3 H 1 7.096 0.000 . 1 . . . . A 5 TRP HZ3 . 30944 1 58 . 1 . 1 5 5 TRP HH2 H 1 7.184 0.005 . 1 . . . . A 5 TRP HH2 . 30944 1 59 . 1 . 1 5 5 TRP C C 13 175.784 0.000 . 1 . . . . A 5 TRP C . 30944 1 60 . 1 . 1 5 5 TRP CA C 13 57.372 0.000 . 1 . . . . A 5 TRP CA . 30944 1 61 . 1 . 1 5 5 TRP CB C 13 29.542 0.012 . 1 . . . . A 5 TRP CB . 30944 1 62 . 1 . 1 5 5 TRP CD1 C 13 127.237 0.066 . 1 . . . . A 5 TRP CD1 . 30944 1 63 . 1 . 1 5 5 TRP CE3 C 13 120.894 0.061 . 1 . . . . A 5 TRP CE3 . 30944 1 64 . 1 . 1 5 5 TRP CZ2 C 13 114.696 0.129 . 1 . . . . A 5 TRP CZ2 . 30944 1 65 . 1 . 1 5 5 TRP CZ3 C 13 122.037 0.000 . 1 . . . . A 5 TRP CZ3 . 30944 1 66 . 1 . 1 5 5 TRP CH2 C 13 124.606 0.025 . 1 . . . . A 5 TRP CH2 . 30944 1 67 . 1 . 1 5 5 TRP N N 15 121.967 0.005 . 1 . . . . A 5 TRP N . 30944 1 68 . 1 . 1 5 5 TRP NE1 N 15 129.561 0.024 . 1 . . . . A 5 TRP NE1 . 30944 1 69 . 1 . 1 6 6 ASN H H 1 8.081 0.005 . 1 . . . . A 6 ASN H . 30944 1 70 . 1 . 1 6 6 ASN HA H 1 4.495 0.002 . 1 . . . . A 6 ASN HA . 30944 1 71 . 1 . 1 6 6 ASN HB2 H 1 2.545 0.009 . 2 . . . . A 6 ASN HB2 . 30944 1 72 . 1 . 1 6 6 ASN HB3 H 1 2.506 0.010 . 2 . . . . A 6 ASN HB3 . 30944 1 73 . 1 . 1 6 6 ASN HD21 H 1 7.437 0.000 . 2 . . . . A 6 ASN HD21 . 30944 1 74 . 1 . 1 6 6 ASN HD22 H 1 6.779 0.000 . 2 . . . . A 6 ASN HD22 . 30944 1 75 . 1 . 1 6 6 ASN C C 13 174.848 0.004 . 1 . . . . A 6 ASN C . 30944 1 76 . 1 . 1 6 6 ASN CA C 13 52.970 0.015 . 1 . . . . A 6 ASN CA . 30944 1 77 . 1 . 1 6 6 ASN CB C 13 38.536 0.047 . 1 . . . . A 6 ASN CB . 30944 1 78 . 1 . 1 6 6 ASN N N 15 120.173 0.013 . 1 . . . . A 6 ASN N . 30944 1 79 . 1 . 1 6 6 ASN ND2 N 15 112.025 0.003 . 1 . . . . A 6 ASN ND2 . 30944 1 80 . 1 . 1 7 7 GLN H H 1 7.996 0.005 . 1 . . . . A 7 GLN H . 30944 1 81 . 1 . 1 7 7 GLN HA H 1 4.071 0.005 . 1 . . . . A 7 GLN HA . 30944 1 82 . 1 . 1 7 7 GLN HB2 H 1 1.983 0.003 . 2 . . . . A 7 GLN HB2 . 30944 1 83 . 1 . 1 7 7 GLN HB3 H 1 1.870 0.004 . 2 . . . . A 7 GLN HB3 . 30944 1 84 . 1 . 1 7 7 GLN HG2 H 1 2.192 0.008 . 2 . . . . A 7 GLN HG2 . 30944 1 85 . 1 . 1 7 7 GLN HG3 H 1 2.192 0.008 . 2 . . . . A 7 GLN HG3 . 30944 1 86 . 1 . 1 7 7 GLN HE21 H 1 6.818 0.006 . 2 . . . . A 7 GLN HE21 . 30944 1 87 . 1 . 1 7 7 GLN HE22 H 1 7.428 0.000 . 2 . . . . A 7 GLN HE22 . 30944 1 88 . 1 . 1 7 7 GLN C C 13 175.602 0.000 . 1 . . . . A 7 GLN C . 30944 1 89 . 1 . 1 7 7 GLN CA C 13 56.323 0.023 . 1 . . . . A 7 GLN CA . 30944 1 90 . 1 . 1 7 7 GLN CB C 13 29.145 0.019 . 1 . . . . A 7 GLN CB . 30944 1 91 . 1 . 1 7 7 GLN CG C 13 33.678 0.020 . 1 . . . . A 7 GLN CG . 30944 1 92 . 1 . 1 7 7 GLN N N 15 119.873 0.011 . 1 . . . . A 7 GLN N . 30944 1 93 . 1 . 1 7 7 GLN NE2 N 15 112.265 0.003 . 1 . . . . A 7 GLN NE2 . 30944 1 94 . 1 . 1 8 8 GLN H H 1 8.170 0.003 . 1 . . . . A 8 GLN H . 30944 1 95 . 1 . 1 8 8 GLN HA H 1 4.206 0.005 . 1 . . . . A 8 GLN HA . 30944 1 96 . 1 . 1 8 8 GLN HB2 H 1 1.934 0.004 . 2 . . . . A 8 GLN HB2 . 30944 1 97 . 1 . 1 8 8 GLN HB3 H 1 1.866 0.008 . 2 . . . . A 8 GLN HB3 . 30944 1 98 . 1 . 1 8 8 GLN HG2 H 1 2.181 0.007 . 2 . . . . A 8 GLN HG2 . 30944 1 99 . 1 . 1 8 8 GLN HG3 H 1 2.145 0.005 . 2 . . . . A 8 GLN HG3 . 30944 1 100 . 1 . 1 8 8 GLN HE21 H 1 6.768 0.001 . 2 . . . . A 8 GLN HE21 . 30944 1 101 . 1 . 1 8 8 GLN HE22 H 1 7.422 0.000 . 2 . . . . A 8 GLN HE22 . 30944 1 102 . 1 . 1 8 8 GLN C C 13 175.661 0.001 . 1 . . . . A 8 GLN C . 30944 1 103 . 1 . 1 8 8 GLN CA C 13 56.010 0.008 . 1 . . . . A 8 GLN CA . 30944 1 104 . 1 . 1 8 8 GLN CB C 13 29.299 0.095 . 1 . . . . A 8 GLN CB . 30944 1 105 . 1 . 1 8 8 GLN CG C 13 33.658 0.003 . 1 . . . . A 8 GLN CG . 30944 1 106 . 1 . 1 8 8 GLN N N 15 120.236 0.060 . 1 . . . . A 8 GLN N . 30944 1 107 . 1 . 1 8 8 GLN NE2 N 15 112.255 0.004 . 1 . . . . A 8 GLN NE2 . 30944 1 108 . 1 . 1 9 9 TYR H H 1 8.050 0.004 . 1 . . . . A 9 TYR H . 30944 1 109 . 1 . 1 9 9 TYR HA H 1 4.542 0.001 . 1 . . . . A 9 TYR HA . 30944 1 110 . 1 . 1 9 9 TYR HB2 H 1 3.071 0.007 . 2 . . . . A 9 TYR HB2 . 30944 1 111 . 1 . 1 9 9 TYR HB3 H 1 2.852 0.005 . 2 . . . . A 9 TYR HB3 . 30944 1 112 . 1 . 1 9 9 TYR HD1 H 1 7.060 0.008 . 1 . . . . A 9 TYR HD1 . 30944 1 113 . 1 . 1 9 9 TYR HD2 H 1 7.060 0.008 . 1 . . . . A 9 TYR HD2 . 30944 1 114 . 1 . 1 9 9 TYR HE1 H 1 6.773 0.005 . 1 . . . . A 9 TYR HE1 . 30944 1 115 . 1 . 1 9 9 TYR HE2 H 1 6.773 0.005 . 1 . . . . A 9 TYR HE2 . 30944 1 116 . 1 . 1 9 9 TYR C C 13 175.360 0.004 . 1 . . . . A 9 TYR C . 30944 1 117 . 1 . 1 9 9 TYR CA C 13 57.935 0.022 . 1 . . . . A 9 TYR CA . 30944 1 118 . 1 . 1 9 9 TYR CB C 13 38.803 0.034 . 1 . . . . A 9 TYR CB . 30944 1 119 . 1 . 1 9 9 TYR CD1 C 13 133.274 0.054 . 1 . . . . A 9 TYR CD1 . 30944 1 120 . 1 . 1 9 9 TYR CE1 C 13 118.418 0.046 . 1 . . . . A 9 TYR CE1 . 30944 1 121 . 1 . 1 9 9 TYR N N 15 120.450 0.007 . 1 . . . . A 9 TYR N . 30944 1 122 . 1 . 1 10 10 ASP H H 1 8.227 0.005 . 1 . . . . A 10 ASP H . 30944 1 123 . 1 . 1 10 10 ASP HA H 1 4.572 0.008 . 1 . . . . A 10 ASP HA . 30944 1 124 . 1 . 1 10 10 ASP HB2 H 1 2.704 0.002 . 2 . . . . A 10 ASP HB2 . 30944 1 125 . 1 . 1 10 10 ASP HB3 H 1 2.605 0.001 . 2 . . . . A 10 ASP HB3 . 30944 1 126 . 1 . 1 10 10 ASP C C 13 175.916 0.005 . 1 . . . . A 10 ASP C . 30944 1 127 . 1 . 1 10 10 ASP CA C 13 54.163 0.000 . 1 . . . . A 10 ASP CA . 30944 1 128 . 1 . 1 10 10 ASP CB C 13 41.096 0.024 . 1 . . . . A 10 ASP CB . 30944 1 129 . 1 . 1 10 10 ASP N N 15 121.462 0.016 . 1 . . . . A 10 ASP N . 30944 1 130 . 1 . 1 11 11 LYS H H 1 8.175 0.005 . 1 . . . . A 11 LYS H . 30944 1 131 . 1 . 1 11 11 LYS HA H 1 4.348 0.006 . 1 . . . . A 11 LYS HA . 30944 1 132 . 1 . 1 11 11 LYS HB2 H 1 1.748 0.029 . 1 . . . . A 11 LYS HB2 . 30944 1 133 . 1 . 1 11 11 LYS HB3 H 1 1.856 0.026 . 1 . . . . A 11 LYS HB3 . 30944 1 134 . 1 . 1 11 11 LYS HG2 H 1 1.393 0.003 . 2 . . . . A 11 LYS HG2 . 30944 1 135 . 1 . 1 11 11 LYS HG3 H 1 1.393 0.003 . 2 . . . . A 11 LYS HG3 . 30944 1 136 . 1 . 1 11 11 LYS HD2 H 1 1.652 0.000 . 2 . . . . A 11 LYS HD2 . 30944 1 137 . 1 . 1 11 11 LYS HD3 H 1 1.652 0.000 . 2 . . . . A 11 LYS HD3 . 30944 1 138 . 1 . 1 11 11 LYS HE2 H 1 2.962 0.000 . 2 . . . . A 11 LYS HE2 . 30944 1 139 . 1 . 1 11 11 LYS HE3 H 1 2.962 0.000 . 2 . . . . A 11 LYS HE3 . 30944 1 140 . 1 . 1 11 11 LYS C C 13 176.615 0.003 . 1 . . . . A 11 LYS C . 30944 1 141 . 1 . 1 11 11 LYS CA C 13 56.454 0.023 . 1 . . . . A 11 LYS CA . 30944 1 142 . 1 . 1 11 11 LYS CB C 13 32.774 0.084 . 1 . . . . A 11 LYS CB . 30944 1 143 . 1 . 1 11 11 LYS CG C 13 24.596 0.027 . 1 . . . . A 11 LYS CG . 30944 1 144 . 1 . 1 11 11 LYS CD C 13 29.115 0.060 . 1 . . . . A 11 LYS CD . 30944 1 145 . 1 . 1 11 11 LYS CE C 13 42.207 0.001 . 1 . . . . A 11 LYS CE . 30944 1 146 . 1 . 1 11 11 LYS N N 15 121.518 0.004 . 1 . . . . A 11 LYS N . 30944 1 147 . 1 . 1 12 12 THR H H 1 8.273 0.005 . 1 . . . . A 12 THR H . 30944 1 148 . 1 . 1 12 12 THR HA H 1 4.293 0.002 . 1 . . . . A 12 THR HA . 30944 1 149 . 1 . 1 12 12 THR HB H 1 4.185 0.004 . 1 . . . . A 12 THR HB . 30944 1 150 . 1 . 1 12 12 THR HG21 H 1 1.193 0.003 . 1 . . . . A 12 THR HG21 . 30944 1 151 . 1 . 1 12 12 THR HG22 H 1 1.193 0.003 . 1 . . . . A 12 THR HG22 . 30944 1 152 . 1 . 1 12 12 THR HG23 H 1 1.193 0.003 . 1 . . . . A 12 THR HG23 . 30944 1 153 . 1 . 1 12 12 THR C C 13 174.502 0.006 . 1 . . . . A 12 THR C . 30944 1 154 . 1 . 1 12 12 THR CA C 13 62.525 0.015 . 1 . . . . A 12 THR CA . 30944 1 155 . 1 . 1 12 12 THR CB C 13 69.770 0.007 . 1 . . . . A 12 THR CB . 30944 1 156 . 1 . 1 12 12 THR CG2 C 13 21.912 0.000 . 1 . . . . A 12 THR CG2 . 30944 1 157 . 1 . 1 12 12 THR N N 15 115.247 0.010 . 1 . . . . A 12 THR N . 30944 1 158 . 1 . 1 13 13 VAL H H 1 8.063 0.003 . 1 . . . . A 13 VAL H . 30944 1 159 . 1 . 1 13 13 VAL HA H 1 4.199 0.005 . 1 . . . . A 13 VAL HA . 30944 1 160 . 1 . 1 13 13 VAL HB H 1 2.070 0.005 . 1 . . . . A 13 VAL HB . 30944 1 161 . 1 . 1 13 13 VAL HG11 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG11 . 30944 1 162 . 1 . 1 13 13 VAL HG12 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG12 . 30944 1 163 . 1 . 1 13 13 VAL HG13 H 1 0.896 0.008 . 1 . . . . A 13 VAL HG13 . 30944 1 164 . 1 . 1 13 13 VAL HG21 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG21 . 30944 1 165 . 1 . 1 13 13 VAL HG22 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG22 . 30944 1 166 . 1 . 1 13 13 VAL HG23 H 1 0.903 0.009 . 1 . . . . A 13 VAL HG23 . 30944 1 167 . 1 . 1 13 13 VAL C C 13 174.598 0.006 . 1 . . . . A 13 VAL C . 30944 1 168 . 1 . 1 13 13 VAL CA C 13 62.148 0.049 . 1 . . . . A 13 VAL CA . 30944 1 169 . 1 . 1 13 13 VAL CB C 13 32.657 0.004 . 1 . . . . A 13 VAL CB . 30944 1 170 . 1 . 1 13 13 VAL CG1 C 13 21.226 0.000 . 1 . . . . A 13 VAL CG1 . 30944 1 171 . 1 . 1 13 13 VAL CG2 C 13 20.484 0.003 . 1 . . . . A 13 VAL CG2 . 30944 1 172 . 1 . 1 13 13 VAL N N 15 122.575 0.016 . 1 . . . . A 13 VAL N . 30944 1 173 . 1 . 1 14 14 CYS H H 1 8.013 0.004 . 1 . . . . A 14 CYS H . 30944 1 174 . 1 . 1 14 14 CYS HA H 1 4.836 0.006 . 1 . . . . A 14 CYS HA . 30944 1 175 . 1 . 1 14 14 CYS HB2 H 1 3.101 0.048 . 1 . . . . A 14 CYS HB2 . 30944 1 176 . 1 . 1 14 14 CYS HB3 H 1 2.836 0.057 . 1 . . . . A 14 CYS HB3 . 30944 1 177 . 1 . 1 14 14 CYS C C 13 172.102 0.005 . 1 . . . . A 14 CYS C . 30944 1 178 . 1 . 1 14 14 CYS CA C 13 53.901 0.000 . 1 . . . . A 14 CYS CA . 30944 1 179 . 1 . 1 14 14 CYS CB C 13 43.274 0.032 . 1 . . . . A 14 CYS CB . 30944 1 180 . 1 . 1 14 14 CYS N N 15 118.716 0.024 . 1 . . . . A 14 CYS N . 30944 1 181 . 1 . 1 15 15 ASN H H 1 8.782 0.006 . 1 . . . . A 15 ASN H . 30944 1 182 . 1 . 1 15 15 ASN HA H 1 5.128 0.006 . 1 . . . . A 15 ASN HA . 30944 1 183 . 1 . 1 15 15 ASN HB2 H 1 2.752 0.008 . 2 . . . . A 15 ASN HB2 . 30944 1 184 . 1 . 1 15 15 ASN HB3 H 1 2.496 0.007 . 2 . . . . A 15 ASN HB3 . 30944 1 185 . 1 . 1 15 15 ASN C C 13 173.441 0.003 . 1 . . . . A 15 ASN C . 30944 1 186 . 1 . 1 15 15 ASN CA C 13 51.951 0.033 . 1 . . . . A 15 ASN CA . 30944 1 187 . 1 . 1 15 15 ASN CB C 13 39.773 0.032 . 1 . . . . A 15 ASN CB . 30944 1 188 . 1 . 1 15 15 ASN N N 15 120.793 0.018 . 1 . . . . A 15 ASN N . 30944 1 189 . 1 . 1 16 16 GLN H H 1 8.479 0.004 . 1 . . . . A 16 GLN H . 30944 1 190 . 1 . 1 16 16 GLN HA H 1 4.117 0.008 . 1 . . . . A 16 GLN HA . 30944 1 191 . 1 . 1 16 16 GLN HB2 H 1 2.275 0.003 . 1 . . . . A 16 GLN HB2 . 30944 1 192 . 1 . 1 16 16 GLN HB3 H 1 1.704 0.004 . 1 . . . . A 16 GLN HB3 . 30944 1 193 . 1 . 1 16 16 GLN HG2 H 1 2.340 0.003 . 1 . . . . A 16 GLN HG2 . 30944 1 194 . 1 . 1 16 16 GLN HG3 H 1 2.479 0.006 . 1 . . . . A 16 GLN HG3 . 30944 1 195 . 1 . 1 16 16 GLN HE21 H 1 7.632 0.000 . 1 . . . . A 16 GLN HE21 . 30944 1 196 . 1 . 1 16 16 GLN HE22 H 1 6.778 0.000 . 1 . . . . A 16 GLN HE22 . 30944 1 197 . 1 . 1 16 16 GLN C C 13 174.744 0.000 . 1 . . . . A 16 GLN C . 30944 1 198 . 1 . 1 16 16 GLN CA C 13 54.287 0.113 . 1 . . . . A 16 GLN CA . 30944 1 199 . 1 . 1 16 16 GLN CB C 13 30.184 0.004 . 1 . . . . A 16 GLN CB . 30944 1 200 . 1 . 1 16 16 GLN CG C 13 34.050 0.068 . 1 . . . . A 16 GLN CG . 30944 1 201 . 1 . 1 16 16 GLN N N 15 120.034 0.031 . 1 . . . . A 16 GLN N . 30944 1 202 . 1 . 1 16 16 GLN NE2 N 15 112.779 0.004 . 1 . . . . A 16 GLN NE2 . 30944 1 203 . 1 . 1 17 17 GLU H H 1 8.385 0.006 . 1 . . . . A 17 GLU H . 30944 1 204 . 1 . 1 17 17 GLU HA H 1 3.497 0.004 . 1 . . . . A 17 GLU HA . 30944 1 205 . 1 . 1 17 17 GLU HB2 H 1 1.937 0.008 . 2 . . . . A 17 GLU HB2 . 30944 1 206 . 1 . 1 17 17 GLU HB3 H 1 1.937 0.008 . 2 . . . . A 17 GLU HB3 . 30944 1 207 . 1 . 1 17 17 GLU HG2 H 1 2.281 0.008 . 2 . . . . A 17 GLU HG2 . 30944 1 208 . 1 . 1 17 17 GLU HG3 H 1 2.220 0.007 . 2 . . . . A 17 GLU HG3 . 30944 1 209 . 1 . 1 17 17 GLU C C 13 177.186 0.003 . 1 . . . . A 17 GLU C . 30944 1 210 . 1 . 1 17 17 GLU CA C 13 58.610 0.030 . 1 . . . . A 17 GLU CA . 30944 1 211 . 1 . 1 17 17 GLU CB C 13 29.158 0.081 . 1 . . . . A 17 GLU CB . 30944 1 212 . 1 . 1 17 17 GLU CG C 13 35.751 0.087 . 1 . . . . A 17 GLU CG . 30944 1 213 . 1 . 1 17 17 GLU N N 15 119.651 0.008 . 1 . . . . A 17 GLU N . 30944 1 214 . 1 . 1 18 18 GLY H H 1 9.102 0.007 . 1 . . . . A 18 GLY H . 30944 1 215 . 1 . 1 18 18 GLY HA2 H 1 3.501 0.008 . 1 . . . . A 18 GLY HA2 . 30944 1 216 . 1 . 1 18 18 GLY HA3 H 1 4.308 0.010 . 1 . . . . A 18 GLY HA3 . 30944 1 217 . 1 . 1 18 18 GLY C C 13 173.857 0.000 . 1 . . . . A 18 GLY C . 30944 1 218 . 1 . 1 18 18 GLY CA C 13 45.300 0.021 . 1 . . . . A 18 GLY CA . 30944 1 219 . 1 . 1 18 18 GLY N N 15 113.373 0.037 . 1 . . . . A 18 GLY N . 30944 1 220 . 1 . 1 19 19 GLU H H 1 7.896 0.008 . 1 . . . . A 19 GLU H . 30944 1 221 . 1 . 1 19 19 GLU HA H 1 4.344 0.008 . 1 . . . . A 19 GLU HA . 30944 1 222 . 1 . 1 19 19 GLU HB2 H 1 2.049 0.011 . 2 . . . . A 19 GLU HB2 . 30944 1 223 . 1 . 1 19 19 GLU HB3 H 1 2.243 0.011 . 2 . . . . A 19 GLU HB3 . 30944 1 224 . 1 . 1 19 19 GLU HG2 H 1 2.132 0.010 . 2 . . . . A 19 GLU HG2 . 30944 1 225 . 1 . 1 19 19 GLU HG3 H 1 2.086 0.008 . 2 . . . . A 19 GLU HG3 . 30944 1 226 . 1 . 1 19 19 GLU C C 13 174.844 0.000 . 1 . . . . A 19 GLU C . 30944 1 227 . 1 . 1 19 19 GLU CA C 13 54.967 0.013 . 1 . . . . A 19 GLU CA . 30944 1 228 . 1 . 1 19 19 GLU CB C 13 30.585 0.013 . 1 . . . . A 19 GLU CB . 30944 1 229 . 1 . 1 19 19 GLU CG C 13 37.013 0.129 . 1 . . . . A 19 GLU CG . 30944 1 230 . 1 . 1 19 19 GLU N N 15 119.638 0.070 . 1 . . . . A 19 GLU N . 30944 1 231 . 1 . 1 20 20 PHE H H 1 8.113 0.007 . 1 . . . . A 20 PHE H . 30944 1 232 . 1 . 1 20 20 PHE HA H 1 4.908 0.008 . 1 . . . . A 20 PHE HA . 30944 1 233 . 1 . 1 20 20 PHE HB2 H 1 3.011 0.007 . 2 . . . . A 20 PHE HB2 . 30944 1 234 . 1 . 1 20 20 PHE HB3 H 1 3.011 0.007 . 2 . . . . A 20 PHE HB3 . 30944 1 235 . 1 . 1 20 20 PHE HD1 H 1 7.238 0.002 . 1 . . . . A 20 PHE HD1 . 30944 1 236 . 1 . 1 20 20 PHE HD2 H 1 7.238 0.002 . 1 . . . . A 20 PHE HD2 . 30944 1 237 . 1 . 1 20 20 PHE HE1 H 1 7.143 0.000 . 1 . . . . A 20 PHE HE1 . 30944 1 238 . 1 . 1 20 20 PHE HE2 H 1 7.143 0.000 . 1 . . . . A 20 PHE HE2 . 30944 1 239 . 1 . 1 20 20 PHE HZ H 1 7.001 0.011 . 1 . . . . A 20 PHE HZ . 30944 1 240 . 1 . 1 20 20 PHE CB C 13 40.122 0.006 . 1 . . . . A 20 PHE CB . 30944 1 241 . 1 . 1 20 20 PHE CD1 C 13 131.243 0.008 . 1 . . . . A 20 PHE CD1 . 30944 1 242 . 1 . 1 20 20 PHE CE1 C 13 131.671 0.006 . 1 . . . . A 20 PHE CE1 . 30944 1 243 . 1 . 1 20 20 PHE CZ C 13 129.723 0.038 . 1 . . . . A 20 PHE CZ . 30944 1 244 . 1 . 1 20 20 PHE N N 15 118.524 0.033 . 1 . . . . A 20 PHE N . 30944 1 245 . 1 . 1 21 21 CYS HA H 1 4.701 0.003 . 1 . . . . A 21 CYS HA . 30944 1 246 . 1 . 1 21 21 CYS HB2 H 1 3.252 0.010 . 2 . . . . A 21 CYS HB2 . 30944 1 247 . 1 . 1 21 21 CYS HB3 H 1 3.203 0.007 . 2 . . . . A 21 CYS HB3 . 30944 1 248 . 1 . 1 21 21 CYS CB C 13 47.436 0.099 . 1 . . . . A 21 CYS CB . 30944 1 249 . 1 . 1 22 22 SER H H 1 7.776 0.001 . 1 . . . . A 22 SER H . 30944 1 250 . 1 . 1 22 22 SER HA H 1 4.876 0.005 . 1 . . . . A 22 SER HA . 30944 1 251 . 1 . 1 22 22 SER HB2 H 1 3.945 0.003 . 2 . . . . A 22 SER HB2 . 30944 1 252 . 1 . 1 22 22 SER HB3 H 1 3.671 0.012 . 2 . . . . A 22 SER HB3 . 30944 1 253 . 1 . 1 22 22 SER CB C 13 65.841 0.045 . 1 . . . . A 22 SER CB . 30944 1 254 . 1 . 1 23 23 LYS H H 1 8.552 0.008 . 1 . . . . A 23 LYS H . 30944 1 255 . 1 . 1 23 23 LYS HA H 1 4.238 0.009 . 1 . . . . A 23 LYS HA . 30944 1 256 . 1 . 1 23 23 LYS HB2 H 1 1.847 0.007 . 2 . . . . A 23 LYS HB2 . 30944 1 257 . 1 . 1 23 23 LYS HB3 H 1 1.722 0.007 . 2 . . . . A 23 LYS HB3 . 30944 1 258 . 1 . 1 23 23 LYS HG2 H 1 1.376 0.012 . 2 . . . . A 23 LYS HG2 . 30944 1 259 . 1 . 1 23 23 LYS HG3 H 1 1.376 0.012 . 2 . . . . A 23 LYS HG3 . 30944 1 260 . 1 . 1 23 23 LYS HD2 H 1 1.533 0.003 . 2 . . . . A 23 LYS HD2 . 30944 1 261 . 1 . 1 23 23 LYS HD3 H 1 1.533 0.003 . 2 . . . . A 23 LYS HD3 . 30944 1 262 . 1 . 1 23 23 LYS CA C 13 57.802 0.079 . 1 . . . . A 23 LYS CA . 30944 1 263 . 1 . 1 23 23 LYS CB C 13 32.163 0.029 . 1 . . . . A 23 LYS CB . 30944 1 264 . 1 . 1 23 23 LYS CG C 13 24.695 0.079 . 1 . . . . A 23 LYS CG . 30944 1 265 . 1 . 1 23 23 LYS CD C 13 29.019 0.003 . 1 . . . . A 23 LYS CD . 30944 1 266 . 1 . 1 24 24 SER H H 1 8.190 0.007 . 1 . . . . A 24 SER H . 30944 1 267 . 1 . 1 24 24 SER HA H 1 4.513 0.002 . 1 . . . . A 24 SER HA . 30944 1 268 . 1 . 1 24 24 SER HB2 H 1 3.944 0.003 . 2 . . . . A 24 SER HB2 . 30944 1 269 . 1 . 1 24 24 SER HB3 H 1 3.866 0.002 . 2 . . . . A 24 SER HB3 . 30944 1 270 . 1 . 1 24 24 SER C C 13 174.334 0.000 . 1 . . . . A 24 SER C . 30944 1 271 . 1 . 1 24 24 SER CA C 13 58.089 0.001 . 1 . . . . A 24 SER CA . 30944 1 272 . 1 . 1 24 24 SER CB C 13 63.215 0.110 . 1 . . . . A 24 SER CB . 30944 1 273 . 1 . 1 24 24 SER N N 15 113.252 0.017 . 1 . . . . A 24 SER N . 30944 1 274 . 1 . 1 25 25 GLY H H 1 7.744 0.004 . 1 . . . . A 25 GLY H . 30944 1 275 . 1 . 1 25 25 GLY HA2 H 1 4.040 0.006 . 2 . . . . A 25 GLY HA2 . 30944 1 276 . 1 . 1 25 25 GLY HA3 H 1 3.945 0.002 . 2 . . . . A 25 GLY HA3 . 30944 1 277 . 1 . 1 25 25 GLY C C 13 173.486 0.000 . 1 . . . . A 25 GLY C . 30944 1 278 . 1 . 1 25 25 GLY CA C 13 45.356 0.047 . 1 . . . . A 25 GLY CA . 30944 1 279 . 1 . 1 25 25 GLY N N 15 110.061 0.051 . 1 . . . . A 25 GLY N . 30944 1 280 . 1 . 1 26 26 VAL H H 1 7.748 0.005 . 1 . . . . A 26 VAL H . 30944 1 281 . 1 . 1 26 26 VAL HA H 1 4.093 0.007 . 1 . . . . A 26 VAL HA . 30944 1 282 . 1 . 1 26 26 VAL HB H 1 1.970 0.004 . 1 . . . . A 26 VAL HB . 30944 1 283 . 1 . 1 26 26 VAL HG11 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG11 . 30944 1 284 . 1 . 1 26 26 VAL HG12 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG12 . 30944 1 285 . 1 . 1 26 26 VAL HG13 H 1 0.818 0.006 . 1 . . . . A 26 VAL HG13 . 30944 1 286 . 1 . 1 26 26 VAL HG21 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG21 . 30944 1 287 . 1 . 1 26 26 VAL HG22 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG22 . 30944 1 288 . 1 . 1 26 26 VAL HG23 H 1 0.857 0.006 . 1 . . . . A 26 VAL HG23 . 30944 1 289 . 1 . 1 26 26 VAL CA C 13 62.624 0.020 . 1 . . . . A 26 VAL CA . 30944 1 290 . 1 . 1 26 26 VAL CB C 13 32.094 0.006 . 1 . . . . A 26 VAL CB . 30944 1 291 . 1 . 1 26 26 VAL CG1 C 13 21.845 0.046 . 1 . . . . A 26 VAL CG1 . 30944 1 292 . 1 . 1 26 26 VAL CG2 C 13 20.735 0.090 . 1 . . . . A 26 VAL CG2 . 30944 1 293 . 1 . 1 26 26 VAL N N 15 122.080 0.034 . 1 . . . . A 26 VAL N . 30944 1 294 . 1 . 1 27 27 ASP H H 1 8.437 0.003 . 1 . . . . A 27 ASP H . 30944 1 295 . 1 . 1 27 27 ASP HA H 1 4.942 0.009 . 1 . . . . A 27 ASP HA . 30944 1 296 . 1 . 1 27 27 ASP HB2 H 1 2.835 0.001 . 2 . . . . A 27 ASP HB2 . 30944 1 297 . 1 . 1 27 27 ASP HB3 H 1 2.600 0.006 . 2 . . . . A 27 ASP HB3 . 30944 1 298 . 1 . 1 27 27 ASP C C 13 176.800 0.000 . 1 . . . . A 27 ASP C . 30944 1 299 . 1 . 1 27 27 ASP CA C 13 53.049 0.082 . 1 . . . . A 27 ASP CA . 30944 1 300 . 1 . 1 27 27 ASP CB C 13 42.836 0.022 . 1 . . . . A 27 ASP CB . 30944 1 301 . 1 . 1 27 27 ASP N N 15 124.864 0.011 . 1 . . . . A 27 ASP N . 30944 1 302 . 1 . 1 28 28 CYS H H 1 8.992 0.003 . 1 . . . . A 28 CYS H . 30944 1 303 . 1 . 1 28 28 CYS HA H 1 5.009 0.010 . 1 . . . . A 28 CYS HA . 30944 1 304 . 1 . 1 28 28 CYS HB2 H 1 2.482 0.089 . 1 . . . . A 28 CYS HB2 . 30944 1 305 . 1 . 1 28 28 CYS HB3 H 1 3.025 0.092 . 1 . . . . A 28 CYS HB3 . 30944 1 306 . 1 . 1 28 28 CYS C C 13 176.044 0.017 . 1 . . . . A 28 CYS C . 30944 1 307 . 1 . 1 28 28 CYS CA C 13 54.528 0.025 . 1 . . . . A 28 CYS CA . 30944 1 308 . 1 . 1 28 28 CYS CB C 13 40.059 0.122 . 1 . . . . A 28 CYS CB . 30944 1 309 . 1 . 1 28 28 CYS N N 15 118.103 0.019 . 1 . . . . A 28 CYS N . 30944 1 310 . 1 . 1 29 29 CYS H H 1 9.347 0.006 . 1 . . . . A 29 CYS H . 30944 1 311 . 1 . 1 29 29 CYS HA H 1 4.501 0.009 . 1 . . . . A 29 CYS HA . 30944 1 312 . 1 . 1 29 29 CYS HB2 H 1 2.463 0.007 . 1 . . . . A 29 CYS HB2 . 30944 1 313 . 1 . 1 29 29 CYS HB3 H 1 3.371 0.008 . 1 . . . . A 29 CYS HB3 . 30944 1 314 . 1 . 1 29 29 CYS C C 13 172.164 0.013 . 1 . . . . A 29 CYS C . 30944 1 315 . 1 . 1 29 29 CYS CA C 13 54.181 0.005 . 1 . . . . A 29 CYS CA . 30944 1 316 . 1 . 1 29 29 CYS CB C 13 40.186 0.081 . 1 . . . . A 29 CYS CB . 30944 1 317 . 1 . 1 29 29 CYS N N 15 121.928 0.011 . 1 . . . . A 29 CYS N . 30944 1 318 . 1 . 1 30 30 ALA H H 1 8.165 0.005 . 1 . . . . A 30 ALA H . 30944 1 319 . 1 . 1 30 30 ALA HA H 1 4.131 0.006 . 1 . . . . A 30 ALA HA . 30944 1 320 . 1 . 1 30 30 ALA HB1 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB1 . 30944 1 321 . 1 . 1 30 30 ALA HB2 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB2 . 30944 1 322 . 1 . 1 30 30 ALA HB3 H 1 1.352 0.006 . 1 . . . . A 30 ALA HB3 . 30944 1 323 . 1 . 1 30 30 ALA C C 13 178.104 0.004 . 1 . . . . A 30 ALA C . 30944 1 324 . 1 . 1 30 30 ALA CA C 13 53.951 0.017 . 1 . . . . A 30 ALA CA . 30944 1 325 . 1 . 1 30 30 ALA CB C 13 18.492 0.086 . 1 . . . . A 30 ALA CB . 30944 1 326 . 1 . 1 30 30 ALA N N 15 120.849 0.032 . 1 . . . . A 30 ALA N . 30944 1 327 . 1 . 1 31 31 GLY H H 1 8.745 0.006 . 1 . . . . A 31 GLY H . 30944 1 328 . 1 . 1 31 31 GLY HA2 H 1 4.263 0.008 . 2 . . . . A 31 GLY HA2 . 30944 1 329 . 1 . 1 31 31 GLY HA3 H 1 3.614 0.011 . 2 . . . . A 31 GLY HA3 . 30944 1 330 . 1 . 1 31 31 GLY C C 13 173.598 0.034 . 1 . . . . A 31 GLY C . 30944 1 331 . 1 . 1 31 31 GLY CA C 13 44.812 0.096 . 1 . . . . A 31 GLY CA . 30944 1 332 . 1 . 1 31 31 GLY N N 15 110.434 0.031 . 1 . . . . A 31 GLY N . 30944 1 333 . 1 . 1 32 32 LEU H H 1 7.868 0.007 . 1 . . . . A 32 LEU H . 30944 1 334 . 1 . 1 32 32 LEU HA H 1 4.905 0.009 . 1 . . . . A 32 LEU HA . 30944 1 335 . 1 . 1 32 32 LEU HB2 H 1 2.130 0.009 . 1 . . . . A 32 LEU HB2 . 30944 1 336 . 1 . 1 32 32 LEU HB3 H 1 1.070 0.008 . 1 . . . . A 32 LEU HB3 . 30944 1 337 . 1 . 1 32 32 LEU HG H 1 1.375 0.010 . 1 . . . . A 32 LEU HG . 30944 1 338 . 1 . 1 32 32 LEU HD11 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD11 . 30944 1 339 . 1 . 1 32 32 LEU HD12 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD12 . 30944 1 340 . 1 . 1 32 32 LEU HD13 H 1 0.793 0.011 . 1 . . . . A 32 LEU HD13 . 30944 1 341 . 1 . 1 32 32 LEU HD21 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD21 . 30944 1 342 . 1 . 1 32 32 LEU HD22 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD22 . 30944 1 343 . 1 . 1 32 32 LEU HD23 H 1 0.650 0.007 . 1 . . . . A 32 LEU HD23 . 30944 1 344 . 1 . 1 32 32 LEU C C 13 175.996 0.004 . 1 . . . . A 32 LEU C . 30944 1 345 . 1 . 1 32 32 LEU CA C 13 52.935 0.001 . 1 . . . . A 32 LEU CA . 30944 1 346 . 1 . 1 32 32 LEU CB C 13 44.768 0.058 . 1 . . . . A 32 LEU CB . 30944 1 347 . 1 . 1 32 32 LEU CG C 13 26.532 0.089 . 1 . . . . A 32 LEU CG . 30944 1 348 . 1 . 1 32 32 LEU CD1 C 13 26.968 0.063 . 1 . . . . A 32 LEU CD1 . 30944 1 349 . 1 . 1 32 32 LEU CD2 C 13 22.965 0.038 . 1 . . . . A 32 LEU CD2 . 30944 1 350 . 1 . 1 32 32 LEU N N 15 120.240 0.010 . 1 . . . . A 32 LEU N . 30944 1 351 . 1 . 1 33 33 SER H H 1 9.072 0.006 . 1 . . . . A 33 SER H . 30944 1 352 . 1 . 1 33 33 SER HA H 1 4.695 0.006 . 1 . . . . A 33 SER HA . 30944 1 353 . 1 . 1 33 33 SER HB2 H 1 3.711 0.004 . 2 . . . . A 33 SER HB2 . 30944 1 354 . 1 . 1 33 33 SER HB3 H 1 3.643 0.007 . 2 . . . . A 33 SER HB3 . 30944 1 355 . 1 . 1 33 33 SER C C 13 172.526 0.000 . 1 . . . . A 33 SER C . 30944 1 356 . 1 . 1 33 33 SER CA C 13 56.915 0.000 . 1 . . . . A 33 SER CA . 30944 1 357 . 1 . 1 33 33 SER CB C 13 66.076 0.023 . 1 . . . . A 33 SER CB . 30944 1 358 . 1 . 1 33 33 SER N N 15 114.463 0.023 . 1 . . . . A 33 SER N . 30944 1 359 . 1 . 1 34 34 CYS H H 1 8.976 0.007 . 1 . . . . A 34 CYS H . 30944 1 360 . 1 . 1 34 34 CYS HA H 1 5.094 0.007 . 1 . . . . A 34 CYS HA . 30944 1 361 . 1 . 1 34 34 CYS HB2 H 1 3.021 0.007 . 2 . . . . A 34 CYS HB2 . 30944 1 362 . 1 . 1 34 34 CYS HB3 H 1 3.021 0.007 . 2 . . . . A 34 CYS HB3 . 30944 1 363 . 1 . 1 34 34 CYS CA C 13 57.690 0.011 . 1 . . . . A 34 CYS CA . 30944 1 364 . 1 . 1 34 34 CYS CB C 13 39.937 0.176 . 1 . . . . A 34 CYS CB . 30944 1 365 . 1 . 1 34 34 CYS N N 15 124.917 0.007 . 1 . . . . A 34 CYS N . 30944 1 366 . 1 . 1 35 35 ARG H H 1 7.839 0.010 . 1 . . . . A 35 ARG H . 30944 1 367 . 1 . 1 35 35 ARG HA H 1 4.508 0.011 . 1 . . . . A 35 ARG HA . 30944 1 368 . 1 . 1 35 35 ARG HB2 H 1 1.726 0.002 . 2 . . . . A 35 ARG HB2 . 30944 1 369 . 1 . 1 35 35 ARG HB3 H 1 1.726 0.002 . 2 . . . . A 35 ARG HB3 . 30944 1 370 . 1 . 1 35 35 ARG HG2 H 1 1.565 0.002 . 2 . . . . A 35 ARG HG2 . 30944 1 371 . 1 . 1 35 35 ARG HG3 H 1 1.511 0.002 . 2 . . . . A 35 ARG HG3 . 30944 1 372 . 1 . 1 35 35 ARG HD2 H 1 3.132 0.007 . 2 . . . . A 35 ARG HD2 . 30944 1 373 . 1 . 1 35 35 ARG HD3 H 1 3.084 0.006 . 2 . . . . A 35 ARG HD3 . 30944 1 374 . 1 . 1 35 35 ARG CB C 13 30.710 0.103 . 1 . . . . A 35 ARG CB . 30944 1 375 . 1 . 1 35 35 ARG CG C 13 26.598 0.016 . 1 . . . . A 35 ARG CG . 30944 1 376 . 1 . 1 35 35 ARG CD C 13 43.262 0.006 . 1 . . . . A 35 ARG CD . 30944 1 377 . 1 . 1 35 35 ARG N N 15 116.007 0.019 . 1 . . . . A 35 ARG N . 30944 1 378 . 1 . 1 37 37 TYR HB2 H 1 2.829 0.007 . 2 . . . . A 37 TYR HB2 . 30944 1 379 . 1 . 1 37 37 TYR HB3 H 1 2.829 0.007 . 2 . . . . A 37 TYR HB3 . 30944 1 380 . 1 . 1 37 37 TYR HD1 H 1 6.928 0.003 . 1 . . . . A 37 TYR HD1 . 30944 1 381 . 1 . 1 37 37 TYR HD2 H 1 6.928 0.003 . 1 . . . . A 37 TYR HD2 . 30944 1 382 . 1 . 1 37 37 TYR HE1 H 1 6.672 0.004 . 1 . . . . A 37 TYR HE1 . 30944 1 383 . 1 . 1 37 37 TYR HE2 H 1 6.672 0.004 . 1 . . . . A 37 TYR HE2 . 30944 1 384 . 1 . 1 37 37 TYR CB C 13 39.243 0.014 . 1 . . . . A 37 TYR CB . 30944 1 385 . 1 . 1 37 37 TYR CD1 C 13 132.737 0.000 . 1 . . . . A 37 TYR CD1 . 30944 1 386 . 1 . 1 37 37 TYR CE1 C 13 118.553 0.094 . 1 . . . . A 37 TYR CE1 . 30944 1 387 . 1 . 1 39 39 LEU H H 1 8.335 0.006 . 1 . . . . A 39 LEU H . 30944 1 388 . 1 . 1 39 39 LEU HA H 1 4.119 0.005 . 1 . . . . A 39 LEU HA . 30944 1 389 . 1 . 1 39 39 LEU HB2 H 1 1.719 0.003 . 2 . . . . A 39 LEU HB2 . 30944 1 390 . 1 . 1 39 39 LEU HB3 H 1 1.598 0.004 . 2 . . . . A 39 LEU HB3 . 30944 1 391 . 1 . 1 39 39 LEU HG H 1 1.671 0.002 . 1 . . . . A 39 LEU HG . 30944 1 392 . 1 . 1 39 39 LEU HD11 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD11 . 30944 1 393 . 1 . 1 39 39 LEU HD12 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD12 . 30944 1 394 . 1 . 1 39 39 LEU HD13 H 1 0.916 0.002 . 2 . . . . A 39 LEU HD13 . 30944 1 395 . 1 . 1 39 39 LEU HD21 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD21 . 30944 1 396 . 1 . 1 39 39 LEU HD22 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD22 . 30944 1 397 . 1 . 1 39 39 LEU HD23 H 1 0.872 0.007 . 2 . . . . A 39 LEU HD23 . 30944 1 398 . 1 . 1 39 39 LEU C C 13 178.067 0.000 . 1 . . . . A 39 LEU C . 30944 1 399 . 1 . 1 39 39 LEU CA C 13 57.050 0.053 . 1 . . . . A 39 LEU CA . 30944 1 400 . 1 . 1 39 39 LEU CB C 13 41.591 0.073 . 1 . . . . A 39 LEU CB . 30944 1 401 . 1 . 1 39 39 LEU CG C 13 27.035 0.007 . 1 . . . . A 39 LEU CG . 30944 1 402 . 1 . 1 39 39 LEU CD1 C 13 24.985 0.005 . 1 . . . . A 39 LEU CD1 . 30944 1 403 . 1 . 1 39 39 LEU CD2 C 13 23.440 0.004 . 1 . . . . A 39 LEU CD2 . 30944 1 404 . 1 . 1 39 39 LEU N N 15 118.832 0.012 . 1 . . . . A 39 LEU N . 30944 1 405 . 1 . 1 40 40 MET H H 1 7.753 0.003 . 1 . . . . A 40 MET H . 30944 1 406 . 1 . 1 40 40 MET HA H 1 4.473 0.007 . 1 . . . . A 40 MET HA . 30944 1 407 . 1 . 1 40 40 MET HB2 H 1 2.553 0.005 . 1 . . . . A 40 MET HB2 . 30944 1 408 . 1 . 1 40 40 MET HB3 H 1 2.462 0.002 . 1 . . . . A 40 MET HB3 . 30944 1 409 . 1 . 1 40 40 MET HG2 H 1 2.073 0.005 . 2 . . . . A 40 MET HG2 . 30944 1 410 . 1 . 1 40 40 MET HG3 H 1 1.888 0.011 . 2 . . . . A 40 MET HG3 . 30944 1 411 . 1 . 1 40 40 MET HE1 H 1 2.060 0.013 . 1 . . . . A 40 MET HE1 . 30944 1 412 . 1 . 1 40 40 MET HE2 H 1 2.060 0.013 . 1 . . . . A 40 MET HE2 . 30944 1 413 . 1 . 1 40 40 MET HE3 H 1 2.060 0.013 . 1 . . . . A 40 MET HE3 . 30944 1 414 . 1 . 1 40 40 MET C C 13 176.374 0.008 . 1 . . . . A 40 MET C . 30944 1 415 . 1 . 1 40 40 MET CA C 13 55.263 0.000 . 1 . . . . A 40 MET CA . 30944 1 416 . 1 . 1 40 40 MET CB C 13 32.615 0.032 . 1 . . . . A 40 MET CB . 30944 1 417 . 1 . 1 40 40 MET CG C 13 32.461 0.120 . 1 . . . . A 40 MET CG . 30944 1 418 . 1 . 1 40 40 MET CE C 13 16.951 0.008 . 1 . . . . A 40 MET CE . 30944 1 419 . 1 . 1 40 40 MET N N 15 116.429 0.027 . 1 . . . . A 40 MET N . 30944 1 420 . 1 . 1 41 41 GLY H H 1 8.038 0.009 . 1 . . . . A 41 GLY H . 30944 1 421 . 1 . 1 41 41 GLY HA2 H 1 4.042 0.005 . 2 . . . . A 41 GLY HA2 . 30944 1 422 . 1 . 1 41 41 GLY HA3 H 1 3.617 0.003 . 2 . . . . A 41 GLY HA3 . 30944 1 423 . 1 . 1 41 41 GLY CA C 13 45.491 0.100 . 1 . . . . A 41 GLY CA . 30944 1 424 . 1 . 1 41 41 GLY N N 15 106.466 0.022 . 1 . . . . A 41 GLY N . 30944 1 425 . 1 . 1 42 42 TYR HB2 H 1 2.867 0.011 . 2 . . . . A 42 TYR HB2 . 30944 1 426 . 1 . 1 42 42 TYR HB3 H 1 3.069 0.002 . 2 . . . . A 42 TYR HB3 . 30944 1 427 . 1 . 1 42 42 TYR HD1 H 1 6.991 0.003 . 1 . . . . A 42 TYR HD1 . 30944 1 428 . 1 . 1 42 42 TYR HD2 H 1 6.991 0.003 . 1 . . . . A 42 TYR HD2 . 30944 1 429 . 1 . 1 42 42 TYR HE1 H 1 6.736 0.007 . 1 . . . . A 42 TYR HE1 . 30944 1 430 . 1 . 1 42 42 TYR HE2 H 1 6.736 0.007 . 1 . . . . A 42 TYR HE2 . 30944 1 431 . 1 . 1 42 42 TYR CD1 C 13 132.953 0.030 . 1 . . . . A 42 TYR CD1 . 30944 1 432 . 1 . 1 42 42 TYR CE1 C 13 118.186 0.037 . 1 . . . . A 42 TYR CE1 . 30944 1 433 . 1 . 1 44 44 VAL HA H 1 4.897 0.010 . 1 . . . . A 44 VAL HA . 30944 1 434 . 1 . 1 44 44 VAL HB H 1 1.715 0.004 . 1 . . . . A 44 VAL HB . 30944 1 435 . 1 . 1 44 44 VAL HG11 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG11 . 30944 1 436 . 1 . 1 44 44 VAL HG12 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG12 . 30944 1 437 . 1 . 1 44 44 VAL HG13 H 1 0.810 0.007 . 2 . . . . A 44 VAL HG13 . 30944 1 438 . 1 . 1 44 44 VAL HG21 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG21 . 30944 1 439 . 1 . 1 44 44 VAL HG22 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG22 . 30944 1 440 . 1 . 1 44 44 VAL HG23 H 1 0.802 0.009 . 2 . . . . A 44 VAL HG23 . 30944 1 441 . 1 . 1 44 44 VAL C C 13 176.019 0.000 . 1 . . . . A 44 VAL C . 30944 1 442 . 1 . 1 44 44 VAL CA C 13 59.600 0.018 . 1 . . . . A 44 VAL CA . 30944 1 443 . 1 . 1 44 44 VAL CB C 13 36.143 0.024 . 1 . . . . A 44 VAL CB . 30944 1 444 . 1 . 1 44 44 VAL CG1 C 13 20.420 0.022 . 1 . . . . A 44 VAL CG1 . 30944 1 445 . 1 . 1 44 44 VAL CG2 C 13 21.286 0.122 . 1 . . . . A 44 VAL CG2 . 30944 1 446 . 1 . 1 45 45 CYS H H 1 8.721 0.006 . 1 . . . . A 45 CYS H . 30944 1 447 . 1 . 1 45 45 CYS HA H 1 4.927 0.012 . 1 . . . . A 45 CYS HA . 30944 1 448 . 1 . 1 45 45 CYS HB2 H 1 3.116 0.096 . 1 . . . . A 45 CYS HB2 . 30944 1 449 . 1 . 1 45 45 CYS HB3 H 1 2.497 0.090 . 1 . . . . A 45 CYS HB3 . 30944 1 450 . 1 . 1 45 45 CYS C C 13 175.695 0.016 . 1 . . . . A 45 CYS C . 30944 1 451 . 1 . 1 45 45 CYS CA C 13 55.384 0.002 . 1 . . . . A 45 CYS CA . 30944 1 452 . 1 . 1 45 45 CYS CB C 13 40.101 0.106 . 1 . . . . A 45 CYS CB . 30944 1 453 . 1 . 1 45 45 CYS N N 15 123.217 0.018 . 1 . . . . A 45 CYS N . 30944 1 454 . 1 . 1 46 46 ALA H H 1 9.612 0.008 . 1 . . . . A 46 ALA H . 30944 1 455 . 1 . 1 46 46 ALA HA H 1 4.893 0.012 . 1 . . . . A 46 ALA HA . 30944 1 456 . 1 . 1 46 46 ALA HB1 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB1 . 30944 1 457 . 1 . 1 46 46 ALA HB2 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB2 . 30944 1 458 . 1 . 1 46 46 ALA HB3 H 1 1.459 0.006 . 1 . . . . A 46 ALA HB3 . 30944 1 459 . 1 . 1 46 46 ALA C C 13 175.769 0.002 . 1 . . . . A 46 ALA C . 30944 1 460 . 1 . 1 46 46 ALA CA C 13 51.249 0.003 . 1 . . . . A 46 ALA CA . 30944 1 461 . 1 . 1 46 46 ALA CB C 13 23.121 0.059 . 1 . . . . A 46 ALA CB . 30944 1 462 . 1 . 1 46 46 ALA N N 15 129.603 0.022 . 1 . . . . A 46 ALA N . 30944 1 463 . 1 . 1 47 47 ALA H H 1 8.867 0.003 . 1 . . . . A 47 ALA H . 30944 1 464 . 1 . 1 47 47 ALA HA H 1 4.424 0.009 . 1 . . . . A 47 ALA HA . 30944 1 465 . 1 . 1 47 47 ALA HB1 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB1 . 30944 1 466 . 1 . 1 47 47 ALA HB2 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB2 . 30944 1 467 . 1 . 1 47 47 ALA HB3 H 1 1.380 0.009 . 1 . . . . A 47 ALA HB3 . 30944 1 468 . 1 . 1 47 47 ALA C C 13 177.553 0.009 . 1 . . . . A 47 ALA C . 30944 1 469 . 1 . 1 47 47 ALA CA C 13 52.761 0.110 . 1 . . . . A 47 ALA CA . 30944 1 470 . 1 . 1 47 47 ALA CB C 13 18.875 0.019 . 1 . . . . A 47 ALA CB . 30944 1 471 . 1 . 1 47 47 ALA N N 15 124.451 0.015 . 1 . . . . A 47 ALA N . 30944 1 472 . 1 . 1 48 48 GLN H H 1 8.138 0.006 . 1 . . . . A 48 GLN H . 30944 1 473 . 1 . 1 48 48 GLN HA H 1 4.430 0.005 . 1 . . . . A 48 GLN HA . 30944 1 474 . 1 . 1 48 48 GLN HB2 H 1 1.972 0.023 . 1 . . . . A 48 GLN HB2 . 30944 1 475 . 1 . 1 48 48 GLN HB3 H 1 2.072 0.022 . 1 . . . . A 48 GLN HB3 . 30944 1 476 . 1 . 1 48 48 GLN HG2 H 1 2.339 0.009 . 2 . . . . A 48 GLN HG2 . 30944 1 477 . 1 . 1 48 48 GLN HG3 H 1 2.339 0.009 . 2 . . . . A 48 GLN HG3 . 30944 1 478 . 1 . 1 48 48 GLN HE21 H 1 7.478 0.000 . 2 . . . . A 48 GLN HE21 . 30944 1 479 . 1 . 1 48 48 GLN HE22 H 1 6.885 0.000 . 2 . . . . A 48 GLN HE22 . 30944 1 480 . 1 . 1 48 48 GLN C C 13 175.962 0.014 . 1 . . . . A 48 GLN C . 30944 1 481 . 1 . 1 48 48 GLN CA C 13 55.964 0.004 . 1 . . . . A 48 GLN CA . 30944 1 482 . 1 . 1 48 48 GLN CB C 13 29.614 0.049 . 1 . . . . A 48 GLN CB . 30944 1 483 . 1 . 1 48 48 GLN CG C 13 33.737 0.025 . 1 . . . . A 48 GLN CG . 30944 1 484 . 1 . 1 48 48 GLN N N 15 119.553 0.033 . 1 . . . . A 48 GLN N . 30944 1 485 . 1 . 1 48 48 GLN NE2 N 15 112.120 0.011 . 1 . . . . A 48 GLN NE2 . 30944 1 486 . 1 . 1 49 49 THR H H 1 8.345 0.005 . 1 . . . . A 49 THR H . 30944 1 487 . 1 . 1 49 49 THR HA H 1 4.394 0.001 . 1 . . . . A 49 THR HA . 30944 1 488 . 1 . 1 49 49 THR HB H 1 4.300 0.002 . 1 . . . . A 49 THR HB . 30944 1 489 . 1 . 1 49 49 THR HG21 H 1 1.184 0.004 . 1 . . . . A 49 THR HG21 . 30944 1 490 . 1 . 1 49 49 THR HG22 H 1 1.184 0.004 . 1 . . . . A 49 THR HG22 . 30944 1 491 . 1 . 1 49 49 THR HG23 H 1 1.184 0.004 . 1 . . . . A 49 THR HG23 . 30944 1 492 . 1 . 1 49 49 THR C C 13 173.644 0.013 . 1 . . . . A 49 THR C . 30944 1 493 . 1 . 1 49 49 THR CA C 13 61.576 0.056 . 1 . . . . A 49 THR CA . 30944 1 494 . 1 . 1 49 49 THR CB C 13 69.871 0.071 . 1 . . . . A 49 THR CB . 30944 1 495 . 1 . 1 49 49 THR CG2 C 13 21.493 0.004 . 1 . . . . A 49 THR CG2 . 30944 1 496 . 1 . 1 49 49 THR N N 15 114.751 0.009 . 1 . . . . A 49 THR N . 30944 1 497 . 1 . 1 50 50 CYS H H 1 8.029 0.006 . 1 . . . . A 50 CYS H . 30944 1 498 . 1 . 1 50 50 CYS HA H 1 4.862 0.003 . 1 . . . . A 50 CYS HA . 30944 1 499 . 1 . 1 50 50 CYS HB2 H 1 3.053 0.008 . 1 . . . . A 50 CYS HB2 . 30944 1 500 . 1 . 1 50 50 CYS HB3 H 1 3.250 0.006 . 1 . . . . A 50 CYS HB3 . 30944 1 501 . 1 . 1 50 50 CYS C C 13 173.092 0.013 . 1 . . . . A 50 CYS C . 30944 1 502 . 1 . 1 50 50 CYS CA C 13 54.438 0.000 . 1 . . . . A 50 CYS CA . 30944 1 503 . 1 . 1 50 50 CYS CB C 13 43.447 0.127 . 1 . . . . A 50 CYS CB . 30944 1 504 . 1 . 1 50 50 CYS N N 15 117.395 0.015 . 1 . . . . A 50 CYS N . 30944 1 505 . 1 . 1 51 51 SER H H 1 8.649 0.003 . 1 . . . . A 51 SER H . 30944 1 506 . 1 . 1 51 51 SER HA H 1 4.541 0.006 . 1 . . . . A 51 SER HA . 30944 1 507 . 1 . 1 51 51 SER HB2 H 1 3.688 0.057 . 1 . . . . A 51 SER HB2 . 30944 1 508 . 1 . 1 51 51 SER HB3 H 1 3.993 0.057 . 1 . . . . A 51 SER HB3 . 30944 1 509 . 1 . 1 51 51 SER C C 13 172.074 0.025 . 1 . . . . A 51 SER C . 30944 1 510 . 1 . 1 51 51 SER CA C 13 59.354 0.041 . 1 . . . . A 51 SER CA . 30944 1 511 . 1 . 1 51 51 SER CB C 13 64.107 0.064 . 1 . . . . A 51 SER CB . 30944 1 512 . 1 . 1 51 51 SER N N 15 117.941 0.005 . 1 . . . . A 51 SER N . 30944 1 513 . 1 . 1 52 52 GLU H H 1 8.527 0.004 . 1 . . . . A 52 GLU H . 30944 1 514 . 1 . 1 52 52 GLU HA H 1 4.075 0.008 . 1 . . . . A 52 GLU HA . 30944 1 515 . 1 . 1 52 52 GLU HB2 H 1 1.903 0.006 . 1 . . . . A 52 GLU HB2 . 30944 1 516 . 1 . 1 52 52 GLU HB3 H 1 2.217 0.004 . 1 . . . . A 52 GLU HB3 . 30944 1 517 . 1 . 1 52 52 GLU HG2 H 1 2.448 0.005 . 1 . . . . A 52 GLU HG2 . 30944 1 518 . 1 . 1 52 52 GLU HG3 H 1 2.336 0.007 . 1 . . . . A 52 GLU HG3 . 30944 1 519 . 1 . 1 52 52 GLU C C 13 176.047 0.007 . 1 . . . . A 52 GLU C . 30944 1 520 . 1 . 1 52 52 GLU CA C 13 55.395 0.014 . 1 . . . . A 52 GLU CA . 30944 1 521 . 1 . 1 52 52 GLU CB C 13 30.677 0.017 . 1 . . . . A 52 GLU CB . 30944 1 522 . 1 . 1 52 52 GLU CG C 13 36.087 0.043 . 1 . . . . A 52 GLU CG . 30944 1 523 . 1 . 1 52 52 GLU N N 15 124.256 0.019 . 1 . . . . A 52 GLU N . 30944 1 524 . 1 . 1 53 53 GLU H H 1 8.764 0.006 . 1 . . . . A 53 GLU H . 30944 1 525 . 1 . 1 53 53 GLU HA H 1 3.624 0.009 . 1 . . . . A 53 GLU HA . 30944 1 526 . 1 . 1 53 53 GLU HB2 H 1 1.940 0.010 . 2 . . . . A 53 GLU HB2 . 30944 1 527 . 1 . 1 53 53 GLU HB3 H 1 1.972 0.009 . 2 . . . . A 53 GLU HB3 . 30944 1 528 . 1 . 1 53 53 GLU HG2 H 1 2.304 0.013 . 2 . . . . A 53 GLU HG2 . 30944 1 529 . 1 . 1 53 53 GLU HG3 H 1 2.274 0.009 . 2 . . . . A 53 GLU HG3 . 30944 1 530 . 1 . 1 53 53 GLU C C 13 177.025 0.015 . 1 . . . . A 53 GLU C . 30944 1 531 . 1 . 1 53 53 GLU CA C 13 58.511 0.007 . 1 . . . . A 53 GLU CA . 30944 1 532 . 1 . 1 53 53 GLU CB C 13 29.520 0.093 . 1 . . . . A 53 GLU CB . 30944 1 533 . 1 . 1 53 53 GLU CG C 13 35.883 0.094 . 1 . . . . A 53 GLU CG . 30944 1 534 . 1 . 1 53 53 GLU N N 15 121.821 0.033 . 1 . . . . A 53 GLU N . 30944 1 535 . 1 . 1 54 54 GLY H H 1 9.392 0.007 . 1 . . . . A 54 GLY H . 30944 1 536 . 1 . 1 54 54 GLY HA2 H 1 3.862 0.011 . 1 . . . . A 54 GLY HA2 . 30944 1 537 . 1 . 1 54 54 GLY HA3 H 1 4.377 0.006 . 1 . . . . A 54 GLY HA3 . 30944 1 538 . 1 . 1 54 54 GLY C C 13 174.205 0.025 . 1 . . . . A 54 GLY C . 30944 1 539 . 1 . 1 54 54 GLY CA C 13 44.927 0.096 . 1 . . . . A 54 GLY CA . 30944 1 540 . 1 . 1 54 54 GLY N N 15 113.647 0.021 . 1 . . . . A 54 GLY N . 30944 1 541 . 1 . 1 55 55 THR H H 1 7.744 0.005 . 1 . . . . A 55 THR H . 30944 1 542 . 1 . 1 55 55 THR HA H 1 4.395 0.009 . 1 . . . . A 55 THR HA . 30944 1 543 . 1 . 1 55 55 THR HB H 1 4.250 0.008 . 1 . . . . A 55 THR HB . 30944 1 544 . 1 . 1 55 55 THR HG21 H 1 1.321 0.008 . 1 . . . . A 55 THR HG21 . 30944 1 545 . 1 . 1 55 55 THR HG22 H 1 1.321 0.008 . 1 . . . . A 55 THR HG22 . 30944 1 546 . 1 . 1 55 55 THR HG23 H 1 1.321 0.008 . 1 . . . . A 55 THR HG23 . 30944 1 547 . 1 . 1 55 55 THR C C 13 173.259 0.017 . 1 . . . . A 55 THR C . 30944 1 548 . 1 . 1 55 55 THR CA C 13 62.069 0.003 . 1 . . . . A 55 THR CA . 30944 1 549 . 1 . 1 55 55 THR CB C 13 70.553 0.027 . 1 . . . . A 55 THR CB . 30944 1 550 . 1 . 1 55 55 THR CG2 C 13 21.936 0.015 . 1 . . . . A 55 THR CG2 . 30944 1 551 . 1 . 1 55 55 THR N N 15 113.900 0.014 . 1 . . . . A 55 THR N . 30944 1 552 . 1 . 1 56 56 PHE H H 1 8.288 0.007 . 1 . . . . A 56 PHE H . 30944 1 553 . 1 . 1 56 56 PHE HA H 1 4.911 0.007 . 1 . . . . A 56 PHE HA . 30944 1 554 . 1 . 1 56 56 PHE HB2 H 1 3.077 0.008 . 1 . . . . A 56 PHE HB2 . 30944 1 555 . 1 . 1 56 56 PHE HB3 H 1 2.957 0.008 . 1 . . . . A 56 PHE HB3 . 30944 1 556 . 1 . 1 56 56 PHE HD1 H 1 7.096 0.011 . 1 . . . . A 56 PHE HD1 . 30944 1 557 . 1 . 1 56 56 PHE HD2 H 1 7.096 0.011 . 1 . . . . A 56 PHE HD2 . 30944 1 558 . 1 . 1 56 56 PHE HE1 H 1 7.103 0.008 . 1 . . . . A 56 PHE HE1 . 30944 1 559 . 1 . 1 56 56 PHE HE2 H 1 7.103 0.008 . 1 . . . . A 56 PHE HE2 . 30944 1 560 . 1 . 1 56 56 PHE HZ H 1 7.077 0.004 . 1 . . . . A 56 PHE HZ . 30944 1 561 . 1 . 1 56 56 PHE C C 13 174.257 0.012 . 1 . . . . A 56 PHE C . 30944 1 562 . 1 . 1 56 56 PHE CA C 13 58.438 0.000 . 1 . . . . A 56 PHE CA . 30944 1 563 . 1 . 1 56 56 PHE CB C 13 39.755 0.027 . 1 . . . . A 56 PHE CB . 30944 1 564 . 1 . 1 56 56 PHE CD1 C 13 131.701 0.007 . 1 . . . . A 56 PHE CD1 . 30944 1 565 . 1 . 1 56 56 PHE CE1 C 13 131.059 0.011 . 1 . . . . A 56 PHE CE1 . 30944 1 566 . 1 . 1 56 56 PHE CZ C 13 129.517 0.007 . 1 . . . . A 56 PHE CZ . 30944 1 567 . 1 . 1 56 56 PHE N N 15 122.524 0.019 . 1 . . . . A 56 PHE N . 30944 1 568 . 1 . 1 57 57 CYS H H 1 7.867 0.010 . 1 . . . . A 57 CYS H . 30944 1 569 . 1 . 1 57 57 CYS HA H 1 4.696 0.003 . 1 . . . . A 57 CYS HA . 30944 1 570 . 1 . 1 57 57 CYS HB2 H 1 2.964 0.008 . 1 . . . . A 57 CYS HB2 . 30944 1 571 . 1 . 1 57 57 CYS HB3 H 1 3.196 0.009 . 1 . . . . A 57 CYS HB3 . 30944 1 572 . 1 . 1 57 57 CYS C C 13 171.957 0.016 . 1 . . . . A 57 CYS C . 30944 1 573 . 1 . 1 57 57 CYS CA C 13 53.288 0.000 . 1 . . . . A 57 CYS CA . 30944 1 574 . 1 . 1 57 57 CYS CB C 13 47.816 0.042 . 1 . . . . A 57 CYS CB . 30944 1 575 . 1 . 1 57 57 CYS N N 15 119.238 0.063 . 1 . . . . A 57 CYS N . 30944 1 576 . 1 . 1 58 58 SER H H 1 8.709 0.006 . 1 . . . . A 58 SER H . 30944 1 577 . 1 . 1 58 58 SER HA H 1 4.489 0.008 . 1 . . . . A 58 SER HA . 30944 1 578 . 1 . 1 58 58 SER HB2 H 1 3.897 0.009 . 2 . . . . A 58 SER HB2 . 30944 1 579 . 1 . 1 58 58 SER HB3 H 1 3.771 0.011 . 2 . . . . A 58 SER HB3 . 30944 1 580 . 1 . 1 58 58 SER C C 13 174.966 0.014 . 1 . . . . A 58 SER C . 30944 1 581 . 1 . 1 58 58 SER CA C 13 56.309 0.059 . 1 . . . . A 58 SER CA . 30944 1 582 . 1 . 1 58 58 SER CB C 13 63.657 0.107 . 1 . . . . A 58 SER CB . 30944 1 583 . 1 . 1 58 58 SER N N 15 115.520 0.034 . 1 . . . . A 58 SER N . 30944 1 584 . 1 . 1 59 59 LEU H H 1 8.147 0.008 . 1 . . . . A 59 LEU H . 30944 1 585 . 1 . 1 59 59 LEU HA H 1 3.839 0.005 . 1 . . . . A 59 LEU HA . 30944 1 586 . 1 . 1 59 59 LEU HB2 H 1 1.590 0.007 . 1 . . . . A 59 LEU HB2 . 30944 1 587 . 1 . 1 59 59 LEU HB3 H 1 1.507 0.010 . 1 . . . . A 59 LEU HB3 . 30944 1 588 . 1 . 1 59 59 LEU HG H 1 1.400 0.008 . 1 . . . . A 59 LEU HG . 30944 1 589 . 1 . 1 59 59 LEU HD11 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD11 . 30944 1 590 . 1 . 1 59 59 LEU HD12 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD12 . 30944 1 591 . 1 . 1 59 59 LEU HD13 H 1 0.663 0.007 . 2 . . . . A 59 LEU HD13 . 30944 1 592 . 1 . 1 59 59 LEU HD21 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD21 . 30944 1 593 . 1 . 1 59 59 LEU HD22 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD22 . 30944 1 594 . 1 . 1 59 59 LEU HD23 H 1 0.818 0.008 . 2 . . . . A 59 LEU HD23 . 30944 1 595 . 1 . 1 59 59 LEU C C 13 178.100 0.008 . 1 . . . . A 59 LEU C . 30944 1 596 . 1 . 1 59 59 LEU CA C 13 57.219 0.090 . 1 . . . . A 59 LEU CA . 30944 1 597 . 1 . 1 59 59 LEU CB C 13 41.353 0.080 . 1 . . . . A 59 LEU CB . 30944 1 598 . 1 . 1 59 59 LEU CG C 13 27.554 0.013 . 1 . . . . A 59 LEU CG . 30944 1 599 . 1 . 1 59 59 LEU CD1 C 13 23.497 0.019 . 1 . . . . A 59 LEU CD1 . 30944 1 600 . 1 . 1 59 59 LEU CD2 C 13 25.500 0.023 . 1 . . . . A 59 LEU CD2 . 30944 1 601 . 1 . 1 59 59 LEU N N 15 125.135 0.016 . 1 . . . . A 59 LEU N . 30944 1 602 . 1 . 1 60 60 SER H H 1 7.930 0.006 . 1 . . . . A 60 SER H . 30944 1 603 . 1 . 1 60 60 SER HA H 1 4.419 0.006 . 1 . . . . A 60 SER HA . 30944 1 604 . 1 . 1 60 60 SER HB2 H 1 3.747 0.010 . 1 . . . . A 60 SER HB2 . 30944 1 605 . 1 . 1 60 60 SER HB3 H 1 3.848 0.006 . 1 . . . . A 60 SER HB3 . 30944 1 606 . 1 . 1 60 60 SER C C 13 174.200 0.000 . 1 . . . . A 60 SER C . 30944 1 607 . 1 . 1 60 60 SER CA C 13 58.619 0.032 . 1 . . . . A 60 SER CA . 30944 1 608 . 1 . 1 60 60 SER CB C 13 63.661 0.023 . 1 . . . . A 60 SER CB . 30944 1 609 . 1 . 1 60 60 SER N N 15 111.817 0.004 . 1 . . . . A 60 SER N . 30944 1 610 . 1 . 1 61 61 ASP H H 1 7.602 0.007 . 1 . . . . A 61 ASP H . 30944 1 611 . 1 . 1 61 61 ASP HA H 1 4.703 0.006 . 1 . . . . A 61 ASP HA . 30944 1 612 . 1 . 1 61 61 ASP HB2 H 1 2.550 0.031 . 2 . . . . A 61 ASP HB2 . 30944 1 613 . 1 . 1 61 61 ASP HB3 H 1 2.696 0.034 . 2 . . . . A 61 ASP HB3 . 30944 1 614 . 1 . 1 61 61 ASP C C 13 174.824 0.008 . 1 . . . . A 61 ASP C . 30944 1 615 . 1 . 1 61 61 ASP CA C 13 54.175 0.000 . 1 . . . . A 61 ASP CA . 30944 1 616 . 1 . 1 61 61 ASP CB C 13 40.828 0.060 . 1 . . . . A 61 ASP CB . 30944 1 617 . 1 . 1 61 61 ASP N N 15 122.889 0.031 . 1 . . . . A 61 ASP N . 30944 1 618 . 1 . 1 62 62 SER H H 1 8.377 0.008 . 1 . . . . A 62 SER H . 30944 1 619 . 1 . 1 62 62 SER HA H 1 4.533 0.007 . 1 . . . . A 62 SER HA . 30944 1 620 . 1 . 1 62 62 SER HB2 H 1 4.009 0.004 . 2 . . . . A 62 SER HB2 . 30944 1 621 . 1 . 1 62 62 SER HB3 H 1 3.905 0.010 . 2 . . . . A 62 SER HB3 . 30944 1 622 . 1 . 1 62 62 SER C C 13 175.441 0.006 . 1 . . . . A 62 SER C . 30944 1 623 . 1 . 1 62 62 SER CA C 13 58.887 0.000 . 1 . . . . A 62 SER CA . 30944 1 624 . 1 . 1 62 62 SER CB C 13 63.969 0.088 . 1 . . . . A 62 SER CB . 30944 1 625 . 1 . 1 62 62 SER N N 15 116.732 0.022 . 1 . . . . A 62 SER N . 30944 1 626 . 1 . 1 63 63 ASP H H 1 8.304 0.007 . 1 . . . . A 63 ASP H . 30944 1 627 . 1 . 1 63 63 ASP HA H 1 4.857 0.005 . 1 . . . . A 63 ASP HA . 30944 1 628 . 1 . 1 63 63 ASP HB2 H 1 2.732 0.030 . 2 . . . . A 63 ASP HB2 . 30944 1 629 . 1 . 1 63 63 ASP HB3 H 1 2.834 0.030 . 2 . . . . A 63 ASP HB3 . 30944 1 630 . 1 . 1 63 63 ASP C C 13 176.883 0.002 . 1 . . . . A 63 ASP C . 30944 1 631 . 1 . 1 63 63 ASP CA C 13 53.571 0.000 . 1 . . . . A 63 ASP CA . 30944 1 632 . 1 . 1 63 63 ASP CB C 13 40.777 0.041 . 1 . . . . A 63 ASP CB . 30944 1 633 . 1 . 1 63 63 ASP N N 15 123.386 0.027 . 1 . . . . A 63 ASP N . 30944 1 634 . 1 . 1 64 64 CYS H H 1 8.080 0.006 . 1 . . . . A 64 CYS H . 30944 1 635 . 1 . 1 64 64 CYS HA H 1 4.972 0.011 . 1 . . . . A 64 CYS HA . 30944 1 636 . 1 . 1 64 64 CYS HB2 H 1 2.538 0.062 . 1 . . . . A 64 CYS HB2 . 30944 1 637 . 1 . 1 64 64 CYS HB3 H 1 2.954 0.065 . 1 . . . . A 64 CYS HB3 . 30944 1 638 . 1 . 1 64 64 CYS C C 13 175.744 0.008 . 1 . . . . A 64 CYS C . 30944 1 639 . 1 . 1 64 64 CYS CA C 13 55.055 0.070 . 1 . . . . A 64 CYS CA . 30944 1 640 . 1 . 1 64 64 CYS CB C 13 38.363 0.100 . 1 . . . . A 64 CYS CB . 30944 1 641 . 1 . 1 64 64 CYS N N 15 117.777 0.013 . 1 . . . . A 64 CYS N . 30944 1 642 . 1 . 1 65 65 CYS H H 1 9.063 0.005 . 1 . . . . A 65 CYS H . 30944 1 643 . 1 . 1 65 65 CYS HA H 1 4.474 0.011 . 1 . . . . A 65 CYS HA . 30944 1 644 . 1 . 1 65 65 CYS HB2 H 1 3.373 0.009 . 2 . . . . A 65 CYS HB2 . 30944 1 645 . 1 . 1 65 65 CYS HB3 H 1 2.496 0.009 . 2 . . . . A 65 CYS HB3 . 30944 1 646 . 1 . 1 65 65 CYS C C 13 172.595 0.000 . 1 . . . . A 65 CYS C . 30944 1 647 . 1 . 1 65 65 CYS CA C 13 54.777 0.028 . 1 . . . . A 65 CYS CA . 30944 1 648 . 1 . 1 65 65 CYS CB C 13 41.207 0.021 . 1 . . . . A 65 CYS CB . 30944 1 649 . 1 . 1 65 65 CYS N N 15 121.220 0.026 . 1 . . . . A 65 CYS N . 30944 1 650 . 1 . 1 66 66 SER H H 1 8.291 0.004 . 1 . . . . A 66 SER H . 30944 1 651 . 1 . 1 66 66 SER HA H 1 4.156 0.003 . 1 . . . . A 66 SER HA . 30944 1 652 . 1 . 1 66 66 SER HB2 H 1 3.851 0.007 . 2 . . . . A 66 SER HB2 . 30944 1 653 . 1 . 1 66 66 SER HB3 H 1 3.828 0.011 . 2 . . . . A 66 SER HB3 . 30944 1 654 . 1 . 1 66 66 SER C C 13 175.098 0.025 . 1 . . . . A 66 SER C . 30944 1 655 . 1 . 1 66 66 SER CA C 13 60.174 0.031 . 1 . . . . A 66 SER CA . 30944 1 656 . 1 . 1 66 66 SER CB C 13 63.134 0.030 . 1 . . . . A 66 SER CB . 30944 1 657 . 1 . 1 66 66 SER N N 15 113.294 0.017 . 1 . . . . A 66 SER N . 30944 1 658 . 1 . 1 67 67 GLY H H 1 8.801 0.002 . 1 . . . . A 67 GLY H . 30944 1 659 . 1 . 1 67 67 GLY HA2 H 1 4.281 0.000 . 2 . . . . A 67 GLY HA2 . 30944 1 660 . 1 . 1 67 67 GLY HA3 H 1 3.633 0.000 . 2 . . . . A 67 GLY HA3 . 30944 1 661 . 1 . 1 67 67 GLY C C 13 173.792 0.000 . 1 . . . . A 67 GLY C . 30944 1 662 . 1 . 1 67 67 GLY CA C 13 44.943 0.010 . 1 . . . . A 67 GLY CA . 30944 1 663 . 1 . 1 67 67 GLY N N 15 114.130 0.030 . 1 . . . . A 67 GLY N . 30944 1 664 . 1 . 1 68 68 LEU H H 1 7.925 0.006 . 1 . . . . A 68 LEU H . 30944 1 665 . 1 . 1 68 68 LEU HA H 1 4.783 0.010 . 1 . . . . A 68 LEU HA . 30944 1 666 . 1 . 1 68 68 LEU HB2 H 1 2.065 0.010 . 1 . . . . A 68 LEU HB2 . 30944 1 667 . 1 . 1 68 68 LEU HB3 H 1 1.089 0.008 . 1 . . . . A 68 LEU HB3 . 30944 1 668 . 1 . 1 68 68 LEU HG H 1 1.368 0.009 . 1 . . . . A 68 LEU HG . 30944 1 669 . 1 . 1 68 68 LEU HD11 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD11 . 30944 1 670 . 1 . 1 68 68 LEU HD12 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD12 . 30944 1 671 . 1 . 1 68 68 LEU HD13 H 1 0.771 0.011 . 1 . . . . A 68 LEU HD13 . 30944 1 672 . 1 . 1 68 68 LEU HD21 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD21 . 30944 1 673 . 1 . 1 68 68 LEU HD22 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD22 . 30944 1 674 . 1 . 1 68 68 LEU HD23 H 1 0.644 0.009 . 1 . . . . A 68 LEU HD23 . 30944 1 675 . 1 . 1 68 68 LEU C C 13 175.881 0.002 . 1 . . . . A 68 LEU C . 30944 1 676 . 1 . 1 68 68 LEU CA C 13 52.926 0.000 . 1 . . . . A 68 LEU CA . 30944 1 677 . 1 . 1 68 68 LEU CB C 13 44.272 0.101 . 1 . . . . A 68 LEU CB . 30944 1 678 . 1 . 1 68 68 LEU CG C 13 26.501 0.090 . 1 . . . . A 68 LEU CG . 30944 1 679 . 1 . 1 68 68 LEU CD1 C 13 26.840 0.075 . 1 . . . . A 68 LEU CD1 . 30944 1 680 . 1 . 1 68 68 LEU CD2 C 13 23.026 0.085 . 1 . . . . A 68 LEU CD2 . 30944 1 681 . 1 . 1 68 68 LEU N N 15 119.889 0.043 . 1 . . . . A 68 LEU N . 30944 1 682 . 1 . 1 69 69 LYS H H 1 9.209 0.005 . 1 . . . . A 69 LYS H . 30944 1 683 . 1 . 1 69 69 LYS HA H 1 4.543 0.006 . 1 . . . . A 69 LYS HA . 30944 1 684 . 1 . 1 69 69 LYS HB2 H 1 1.707 0.033 . 1 . . . . A 69 LYS HB2 . 30944 1 685 . 1 . 1 69 69 LYS HB3 H 1 1.554 0.037 . 1 . . . . A 69 LYS HB3 . 30944 1 686 . 1 . 1 69 69 LYS HG2 H 1 1.344 0.012 . 1 . . . . A 69 LYS HG2 . 30944 1 687 . 1 . 1 69 69 LYS HG3 H 1 1.368 0.015 . 1 . . . . A 69 LYS HG3 . 30944 1 688 . 1 . 1 69 69 LYS HD2 H 1 1.593 0.007 . 2 . . . . A 69 LYS HD2 . 30944 1 689 . 1 . 1 69 69 LYS HD3 H 1 1.644 0.005 . 2 . . . . A 69 LYS HD3 . 30944 1 690 . 1 . 1 69 69 LYS HE2 H 1 2.929 0.016 . 2 . . . . A 69 LYS HE2 . 30944 1 691 . 1 . 1 69 69 LYS HE3 H 1 2.929 0.016 . 2 . . . . A 69 LYS HE3 . 30944 1 692 . 1 . 1 69 69 LYS C C 13 174.947 0.001 . 1 . . . . A 69 LYS C . 30944 1 693 . 1 . 1 69 69 LYS CA C 13 54.043 0.092 . 1 . . . . A 69 LYS CA . 30944 1 694 . 1 . 1 69 69 LYS CB C 13 35.872 0.120 . 1 . . . . A 69 LYS CB . 30944 1 695 . 1 . 1 69 69 LYS CG C 13 24.552 0.073 . 1 . . . . A 69 LYS CG . 30944 1 696 . 1 . 1 69 69 LYS CD C 13 29.203 0.113 . 1 . . . . A 69 LYS CD . 30944 1 697 . 1 . 1 69 69 LYS CE C 13 42.122 0.016 . 1 . . . . A 69 LYS CE . 30944 1 698 . 1 . 1 69 69 LYS N N 15 119.689 0.022 . 1 . . . . A 69 LYS N . 30944 1 699 . 1 . 1 70 70 CYS H H 1 8.996 0.009 . 1 . . . . A 70 CYS H . 30944 1 700 . 1 . 1 70 70 CYS HA H 1 4.640 0.012 . 1 . . . . A 70 CYS HA . 30944 1 701 . 1 . 1 70 70 CYS HB2 H 1 2.945 0.009 . 2 . . . . A 70 CYS HB2 . 30944 1 702 . 1 . 1 70 70 CYS HB3 H 1 2.945 0.009 . 2 . . . . A 70 CYS HB3 . 30944 1 703 . 1 . 1 70 70 CYS C C 13 173.248 0.012 . 1 . . . . A 70 CYS C . 30944 1 704 . 1 . 1 70 70 CYS CA C 13 55.786 0.000 . 1 . . . . A 70 CYS CA . 30944 1 705 . 1 . 1 70 70 CYS CB C 13 39.686 0.033 . 1 . . . . A 70 CYS CB . 30944 1 706 . 1 . 1 70 70 CYS N N 15 122.833 0.023 . 1 . . . . A 70 CYS N . 30944 1 707 . 1 . 1 71 71 LYS H H 1 8.367 0.007 . 1 . . . . A 71 LYS H . 30944 1 708 . 1 . 1 71 71 LYS HA H 1 4.463 0.009 . 1 . . . . A 71 LYS HA . 30944 1 709 . 1 . 1 71 71 LYS HB2 H 1 1.853 0.008 . 1 . . . . A 71 LYS HB2 . 30944 1 710 . 1 . 1 71 71 LYS HB3 H 1 1.669 0.007 . 1 . . . . A 71 LYS HB3 . 30944 1 711 . 1 . 1 71 71 LYS HG2 H 1 1.283 0.019 . 2 . . . . A 71 LYS HG2 . 30944 1 712 . 1 . 1 71 71 LYS HG3 H 1 1.383 0.019 . 2 . . . . A 71 LYS HG3 . 30944 1 713 . 1 . 1 71 71 LYS HD2 H 1 1.614 0.001 . 2 . . . . A 71 LYS HD2 . 30944 1 714 . 1 . 1 71 71 LYS HD3 H 1 1.660 0.010 . 2 . . . . A 71 LYS HD3 . 30944 1 715 . 1 . 1 71 71 LYS HE2 H 1 2.822 0.005 . 2 . . . . A 71 LYS HE2 . 30944 1 716 . 1 . 1 71 71 LYS HE3 H 1 2.915 0.007 . 2 . . . . A 71 LYS HE3 . 30944 1 717 . 1 . 1 71 71 LYS C C 13 175.614 0.017 . 1 . . . . A 71 LYS C . 30944 1 718 . 1 . 1 71 71 LYS CA C 13 55.475 0.029 . 1 . . . . A 71 LYS CA . 30944 1 719 . 1 . 1 71 71 LYS CB C 13 34.623 0.020 . 1 . . . . A 71 LYS CB . 30944 1 720 . 1 . 1 71 71 LYS CG C 13 25.443 0.064 . 1 . . . . A 71 LYS CG . 30944 1 721 . 1 . 1 71 71 LYS CD C 13 29.528 0.056 . 1 . . . . A 71 LYS CD . 30944 1 722 . 1 . 1 71 71 LYS CE C 13 42.115 0.006 . 1 . . . . A 71 LYS CE . 30944 1 723 . 1 . 1 71 71 LYS N N 15 130.576 0.027 . 1 . . . . A 71 LYS N . 30944 1 724 . 1 . 1 72 72 ARG H H 1 8.663 0.005 . 1 . . . . A 72 ARG H . 30944 1 725 . 1 . 1 72 72 ARG HA H 1 4.068 0.010 . 1 . . . . A 72 ARG HA . 30944 1 726 . 1 . 1 72 72 ARG HB2 H 1 1.723 0.010 . 2 . . . . A 72 ARG HB2 . 30944 1 727 . 1 . 1 72 72 ARG HB3 H 1 1.723 0.010 . 2 . . . . A 72 ARG HB3 . 30944 1 728 . 1 . 1 72 72 ARG HG2 H 1 1.454 0.027 . 1 . . . . A 72 ARG HG2 . 30944 1 729 . 1 . 1 72 72 ARG HG3 H 1 1.610 0.026 . 1 . . . . A 72 ARG HG3 . 30944 1 730 . 1 . 1 72 72 ARG HD2 H 1 3.117 0.003 . 2 . . . . A 72 ARG HD2 . 30944 1 731 . 1 . 1 72 72 ARG HD3 H 1 3.117 0.003 . 2 . . . . A 72 ARG HD3 . 30944 1 732 . 1 . 1 72 72 ARG C C 13 176.167 0.006 . 1 . . . . A 72 ARG C . 30944 1 733 . 1 . 1 72 72 ARG CA C 13 57.861 0.085 . 1 . . . . A 72 ARG CA . 30944 1 734 . 1 . 1 72 72 ARG CB C 13 30.611 0.017 . 1 . . . . A 72 ARG CB . 30944 1 735 . 1 . 1 72 72 ARG CG C 13 27.469 0.055 . 1 . . . . A 72 ARG CG . 30944 1 736 . 1 . 1 72 72 ARG CD C 13 43.331 0.024 . 1 . . . . A 72 ARG CD . 30944 1 737 . 1 . 1 72 72 ARG N N 15 124.406 0.019 . 1 . . . . A 72 ARG N . 30944 1 738 . 1 . 1 73 73 ARG H H 1 8.802 0.005 . 1 . . . . A 73 ARG H . 30944 1 739 . 1 . 1 73 73 ARG HA H 1 4.575 0.009 . 1 . . . . A 73 ARG HA . 30944 1 740 . 1 . 1 73 73 ARG HB2 H 1 1.881 0.006 . 1 . . . . A 73 ARG HB2 . 30944 1 741 . 1 . 1 73 73 ARG HB3 H 1 1.542 0.007 . 1 . . . . A 73 ARG HB3 . 30944 1 742 . 1 . 1 73 73 ARG HG2 H 1 1.632 0.011 . 2 . . . . A 73 ARG HG2 . 30944 1 743 . 1 . 1 73 73 ARG HG3 H 1 1.632 0.011 . 2 . . . . A 73 ARG HG3 . 30944 1 744 . 1 . 1 73 73 ARG HD2 H 1 3.204 0.014 . 2 . . . . A 73 ARG HD2 . 30944 1 745 . 1 . 1 73 73 ARG HD3 H 1 3.183 0.010 . 2 . . . . A 73 ARG HD3 . 30944 1 746 . 1 . 1 73 73 ARG C C 13 175.585 0.010 . 1 . . . . A 73 ARG C . 30944 1 747 . 1 . 1 73 73 ARG CA C 13 54.512 0.000 . 1 . . . . A 73 ARG CA . 30944 1 748 . 1 . 1 73 73 ARG CB C 13 31.697 0.082 . 1 . . . . A 73 ARG CB . 30944 1 749 . 1 . 1 73 73 ARG CG C 13 26.693 0.099 . 1 . . . . A 73 ARG CG . 30944 1 750 . 1 . 1 73 73 ARG CD C 13 42.915 0.069 . 1 . . . . A 73 ARG CD . 30944 1 751 . 1 . 1 73 73 ARG N N 15 125.572 0.027 . 1 . . . . A 73 ARG N . 30944 1 752 . 1 . 1 74 74 GLY H H 1 7.810 0.008 . 1 . . . . A 74 GLY H . 30944 1 753 . 1 . 1 74 74 GLY HA2 H 1 3.870 0.003 . 1 . . . . A 74 GLY HA2 . 30944 1 754 . 1 . 1 74 74 GLY HA3 H 1 3.750 0.007 . 1 . . . . A 74 GLY HA3 . 30944 1 755 . 1 . 1 74 74 GLY C C 13 173.414 0.004 . 1 . . . . A 74 GLY C . 30944 1 756 . 1 . 1 74 74 GLY CA C 13 45.301 0.006 . 1 . . . . A 74 GLY CA . 30944 1 757 . 1 . 1 74 74 GLY N N 15 108.675 0.021 . 1 . . . . A 74 GLY N . 30944 1 758 . 1 . 1 75 75 HIS H H 1 8.605 0.008 . 1 . . . . A 75 HIS H . 30944 1 759 . 1 . 1 75 75 HIS HA H 1 4.551 0.006 . 1 . . . . A 75 HIS HA . 30944 1 760 . 1 . 1 75 75 HIS HB2 H 1 3.246 0.006 . 2 . . . . A 75 HIS HB2 . 30944 1 761 . 1 . 1 75 75 HIS HB3 H 1 3.036 0.008 . 2 . . . . A 75 HIS HB3 . 30944 1 762 . 1 . 1 75 75 HIS HD2 H 1 7.264 0.009 . 1 . . . . A 75 HIS HD2 . 30944 1 763 . 1 . 1 75 75 HIS HE1 H 1 8.496 0.004 . 1 . . . . A 75 HIS HE1 . 30944 1 764 . 1 . 1 75 75 HIS CA C 13 56.351 0.002 . 1 . . . . A 75 HIS CA . 30944 1 765 . 1 . 1 75 75 HIS CB C 13 28.291 0.095 . 1 . . . . A 75 HIS CB . 30944 1 766 . 1 . 1 75 75 HIS CD2 C 13 119.918 0.084 . 1 . . . . A 75 HIS CD2 . 30944 1 767 . 1 . 1 75 75 HIS CE1 C 13 136.743 0.016 . 1 . . . . A 75 HIS CE1 . 30944 1 768 . 1 . 1 75 75 HIS N N 15 118.067 0.040 . 1 . . . . A 75 HIS N . 30944 1 769 . 1 . 1 76 76 GLY H H 1 8.492 0.004 . 1 . . . . A 76 GLY H . 30944 1 770 . 1 . 1 76 76 GLY HA2 H 1 3.803 0.062 . 2 . . . . A 76 GLY HA2 . 30944 1 771 . 1 . 1 76 76 GLY HA3 H 1 4.089 0.065 . 2 . . . . A 76 GLY HA3 . 30944 1 772 . 1 . 1 76 76 GLY C C 13 173.697 0.011 . 1 . . . . A 76 GLY C . 30944 1 773 . 1 . 1 76 76 GLY CA C 13 45.799 0.008 . 1 . . . . A 76 GLY CA . 30944 1 774 . 1 . 1 76 76 GLY N N 15 109.844 0.033 . 1 . . . . A 76 GLY N . 30944 1 775 . 1 . 1 77 77 TYR H H 1 7.498 0.006 . 1 . . . . A 77 TYR H . 30944 1 776 . 1 . 1 77 77 TYR HA H 1 5.014 0.006 . 1 . . . . A 77 TYR HA . 30944 1 777 . 1 . 1 77 77 TYR HB2 H 1 3.009 0.015 . 1 . . . . A 77 TYR HB2 . 30944 1 778 . 1 . 1 77 77 TYR HB3 H 1 3.059 0.015 . 1 . . . . A 77 TYR HB3 . 30944 1 779 . 1 . 1 77 77 TYR HD1 H 1 7.056 0.011 . 1 . . . . A 77 TYR HD1 . 30944 1 780 . 1 . 1 77 77 TYR HD2 H 1 7.056 0.011 . 1 . . . . A 77 TYR HD2 . 30944 1 781 . 1 . 1 77 77 TYR HE1 H 1 6.736 0.000 . 1 . . . . A 77 TYR HE1 . 30944 1 782 . 1 . 1 77 77 TYR HE2 H 1 6.736 0.000 . 1 . . . . A 77 TYR HE2 . 30944 1 783 . 1 . 1 77 77 TYR C C 13 174.344 0.005 . 1 . . . . A 77 TYR C . 30944 1 784 . 1 . 1 77 77 TYR CA C 13 56.330 0.002 . 1 . . . . A 77 TYR CA . 30944 1 785 . 1 . 1 77 77 TYR CB C 13 41.142 0.028 . 1 . . . . A 77 TYR CB . 30944 1 786 . 1 . 1 77 77 TYR CD1 C 13 133.729 0.147 . 1 . . . . A 77 TYR CD1 . 30944 1 787 . 1 . 1 77 77 TYR CE1 C 13 118.081 0.102 . 1 . . . . A 77 TYR CE1 . 30944 1 788 . 1 . 1 77 77 TYR N N 15 118.308 0.030 . 1 . . . . A 77 TYR N . 30944 1 789 . 1 . 1 78 78 GLY H H 1 8.658 0.004 . 1 . . . . A 78 GLY H . 30944 1 790 . 1 . 1 78 78 GLY HA2 H 1 4.314 0.007 . 1 . . . . A 78 GLY HA2 . 30944 1 791 . 1 . 1 78 78 GLY HA3 H 1 3.634 0.011 . 1 . . . . A 78 GLY HA3 . 30944 1 792 . 1 . 1 78 78 GLY C C 13 173.058 0.005 . 1 . . . . A 78 GLY C . 30944 1 793 . 1 . 1 78 78 GLY CA C 13 45.386 0.114 . 1 . . . . A 78 GLY CA . 30944 1 794 . 1 . 1 78 78 GLY N N 15 109.824 0.031 . 1 . . . . A 78 GLY N . 30944 1 795 . 1 . 1 79 79 GLU H H 1 8.532 0.007 . 1 . . . . A 79 GLU H . 30944 1 796 . 1 . 1 79 79 GLU HA H 1 5.180 0.005 . 1 . . . . A 79 GLU HA . 30944 1 797 . 1 . 1 79 79 GLU HB2 H 1 1.770 0.009 . 2 . . . . A 79 GLU HB2 . 30944 1 798 . 1 . 1 79 79 GLU HB3 H 1 1.770 0.009 . 2 . . . . A 79 GLU HB3 . 30944 1 799 . 1 . 1 79 79 GLU HG2 H 1 2.164 0.001 . 2 . . . . A 79 GLU HG2 . 30944 1 800 . 1 . 1 79 79 GLU HG3 H 1 2.082 0.005 . 2 . . . . A 79 GLU HG3 . 30944 1 801 . 1 . 1 79 79 GLU C C 13 177.391 0.008 . 1 . . . . A 79 GLU C . 30944 1 802 . 1 . 1 79 79 GLU CA C 13 54.370 0.014 . 1 . . . . A 79 GLU CA . 30944 1 803 . 1 . 1 79 79 GLU CB C 13 34.540 0.006 . 1 . . . . A 79 GLU CB . 30944 1 804 . 1 . 1 79 79 GLU CG C 13 36.042 0.009 . 1 . . . . A 79 GLU CG . 30944 1 805 . 1 . 1 79 79 GLU N N 15 119.968 0.028 . 1 . . . . A 79 GLU N . 30944 1 806 . 1 . 1 80 80 CYS H H 1 8.912 0.004 . 1 . . . . A 80 CYS H . 30944 1 807 . 1 . 1 80 80 CYS HA H 1 4.966 0.011 . 1 . . . . A 80 CYS HA . 30944 1 808 . 1 . 1 80 80 CYS HB2 H 1 2.961 0.007 . 1 . . . . A 80 CYS HB2 . 30944 1 809 . 1 . 1 80 80 CYS HB3 H 1 2.564 0.008 . 1 . . . . A 80 CYS HB3 . 30944 1 810 . 1 . 1 80 80 CYS C C 13 175.926 0.008 . 1 . . . . A 80 CYS C . 30944 1 811 . 1 . 1 80 80 CYS CA C 13 55.325 0.092 . 1 . . . . A 80 CYS CA . 30944 1 812 . 1 . 1 80 80 CYS CB C 13 38.189 0.023 . 1 . . . . A 80 CYS CB . 30944 1 813 . 1 . 1 80 80 CYS N N 15 124.467 0.016 . 1 . . . . A 80 CYS N . 30944 1 814 . 1 . 1 81 81 SER H H 1 9.769 0.008 . 1 . . . . A 81 SER H . 30944 1 815 . 1 . 1 81 81 SER HA H 1 5.020 0.007 . 1 . . . . A 81 SER HA . 30944 1 816 . 1 . 1 81 81 SER HB2 H 1 3.686 0.017 . 2 . . . . A 81 SER HB2 . 30944 1 817 . 1 . 1 81 81 SER HB3 H 1 3.779 0.019 . 2 . . . . A 81 SER HB3 . 30944 1 818 . 1 . 1 81 81 SER C C 13 173.002 0.003 . 1 . . . . A 81 SER C . 30944 1 819 . 1 . 1 81 81 SER CA C 13 57.847 0.071 . 1 . . . . A 81 SER CA . 30944 1 820 . 1 . 1 81 81 SER CB C 13 66.640 0.012 . 1 . . . . A 81 SER CB . 30944 1 821 . 1 . 1 81 81 SER N N 15 121.865 0.031 . 1 . . . . A 81 SER N . 30944 1 822 . 1 . 1 82 82 LYS H H 1 8.735 0.007 . 1 . . . . A 82 LYS H . 30944 1 823 . 1 . 1 82 82 LYS HA H 1 4.209 0.005 . 1 . . . . A 82 LYS HA . 30944 1 824 . 1 . 1 82 82 LYS HB2 H 1 1.686 0.008 . 1 . . . . A 82 LYS HB2 . 30944 1 825 . 1 . 1 82 82 LYS HB3 H 1 1.853 0.004 . 1 . . . . A 82 LYS HB3 . 30944 1 826 . 1 . 1 82 82 LYS HG2 H 1 1.346 0.004 . 1 . . . . A 82 LYS HG2 . 30944 1 827 . 1 . 1 82 82 LYS HG3 H 1 1.436 0.006 . 1 . . . . A 82 LYS HG3 . 30944 1 828 . 1 . 1 82 82 LYS HD2 H 1 1.649 0.002 . 2 . . . . A 82 LYS HD2 . 30944 1 829 . 1 . 1 82 82 LYS HD3 H 1 1.690 0.007 . 2 . . . . A 82 LYS HD3 . 30944 1 830 . 1 . 1 82 82 LYS HE2 H 1 2.970 0.007 . 2 . . . . A 82 LYS HE2 . 30944 1 831 . 1 . 1 82 82 LYS HE3 H 1 2.970 0.007 . 2 . . . . A 82 LYS HE3 . 30944 1 832 . 1 . 1 82 82 LYS C C 13 182.212 0.000 . 1 . . . . A 82 LYS C . 30944 1 833 . 1 . 1 82 82 LYS CA C 13 59.072 0.018 . 1 . . . . A 82 LYS CA . 30944 1 834 . 1 . 1 82 82 LYS CB C 13 33.111 0.034 . 1 . . . . A 82 LYS CB . 30944 1 835 . 1 . 1 82 82 LYS CG C 13 26.011 0.005 . 1 . . . . A 82 LYS CG . 30944 1 836 . 1 . 1 82 82 LYS CD C 13 29.419 0.156 . 1 . . . . A 82 LYS CD . 30944 1 837 . 1 . 1 82 82 LYS CE C 13 42.197 0.015 . 1 . . . . A 82 LYS CE . 30944 1 838 . 1 . 1 82 82 LYS N N 15 130.793 0.008 . 1 . . . . A 82 LYS N . 30944 1 stop_ save_