################################### # 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 34109 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34109 1 2 '3D HNCA' . . . 34109 1 3 '3D 1H-15N NOESY' . . . 34109 1 4 '3D 1H-13C NOESY aliphatic' . . . 34109 1 5 '3D HCCH-TOCSY' . . . 34109 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.672 0.020 . 1 . . . . A 1 MET H1 . 34109 1 2 . 1 1 1 1 MET HA H 1 4.514 0.020 . 1 . . . . A 1 MET HA . 34109 1 3 . 1 1 1 1 MET HB2 H 1 2.099 0.020 . 2 . . . . A 1 MET HB2 . 34109 1 4 . 1 1 1 1 MET HB3 H 1 2.099 0.020 . 2 . . . . A 1 MET HB3 . 34109 1 5 . 1 1 1 1 MET HG2 H 1 2.571 0.020 . 2 . . . . A 1 MET HG2 . 34109 1 6 . 1 1 1 1 MET HG3 H 1 2.571 0.020 . 2 . . . . A 1 MET HG3 . 34109 1 7 . 1 1 1 1 MET C C 13 175.022 0.400 . 1 . . . . A 1 MET C . 34109 1 8 . 1 1 1 1 MET CA C 13 54.041 0.400 . 1 . . . . A 1 MET CA . 34109 1 9 . 1 1 1 1 MET CB C 13 33.450 0.400 . 1 . . . . A 1 MET CB . 34109 1 10 . 1 1 1 1 MET CG C 13 31.932 0.400 . 1 . . . . A 1 MET CG . 34109 1 11 . 1 1 1 1 MET N N 15 127.986 0.400 . 1 . . . . A 1 MET N . 34109 1 12 . 1 1 2 2 ASN H H 1 8.726 0.020 . 1 . . . . A 2 ASN H . 34109 1 13 . 1 1 2 2 ASN HA H 1 4.778 0.020 . 1 . . . . A 2 ASN HA . 34109 1 14 . 1 1 2 2 ASN HB2 H 1 2.929 0.020 . 2 . . . . A 2 ASN HB2 . 34109 1 15 . 1 1 2 2 ASN HB3 H 1 2.800 0.020 . 2 . . . . A 2 ASN HB3 . 34109 1 16 . 1 1 2 2 ASN C C 13 175.385 0.400 . 1 . . . . A 2 ASN C . 34109 1 17 . 1 1 2 2 ASN CA C 13 52.990 0.400 . 1 . . . . A 2 ASN CA . 34109 1 18 . 1 1 2 2 ASN CB C 13 38.283 0.400 . 1 . . . . A 2 ASN CB . 34109 1 19 . 1 1 2 2 ASN N N 15 120.123 0.400 . 1 . . . . A 2 ASN N . 34109 1 20 . 1 1 3 3 ILE H H 1 8.397 0.020 . 1 . . . . A 3 ILE H . 34109 1 21 . 1 1 3 3 ILE HA H 1 4.180 0.020 . 1 . . . . A 3 ILE HA . 34109 1 22 . 1 1 3 3 ILE HB H 1 2.040 0.020 . 1 . . . . A 3 ILE HB . 34109 1 23 . 1 1 3 3 ILE HG12 H 1 1.545 0.020 . 2 . . . . A 3 ILE HG12 . 34109 1 24 . 1 1 3 3 ILE HG13 H 1 1.260 0.020 . 2 . . . . A 3 ILE HG13 . 34109 1 25 . 1 1 3 3 ILE HG21 H 1 0.965 0.020 . 1 . . . . A 3 ILE HG21 . 34109 1 26 . 1 1 3 3 ILE HG22 H 1 0.965 0.020 . 1 . . . . A 3 ILE HG22 . 34109 1 27 . 1 1 3 3 ILE HG23 H 1 0.965 0.020 . 1 . . . . A 3 ILE HG23 . 34109 1 28 . 1 1 3 3 ILE HD11 H 1 0.906 0.020 . 1 . . . . A 3 ILE HD11 . 34109 1 29 . 1 1 3 3 ILE HD12 H 1 0.906 0.020 . 1 . . . . A 3 ILE HD12 . 34109 1 30 . 1 1 3 3 ILE HD13 H 1 0.906 0.020 . 1 . . . . A 3 ILE HD13 . 34109 1 31 . 1 1 3 3 ILE C C 13 176.156 0.400 . 1 . . . . A 3 ILE C . 34109 1 32 . 1 1 3 3 ILE CA C 13 61.969 0.400 . 1 . . . . A 3 ILE CA . 34109 1 33 . 1 1 3 3 ILE CB C 13 38.245 0.400 . 1 . . . . A 3 ILE CB . 34109 1 34 . 1 1 3 3 ILE CG1 C 13 27.522 0.400 . 1 . . . . A 3 ILE CG1 . 34109 1 35 . 1 1 3 3 ILE CG2 C 13 17.723 0.400 . 1 . . . . A 3 ILE CG2 . 34109 1 36 . 1 1 3 3 ILE CD1 C 13 13.183 0.400 . 1 . . . . A 3 ILE CD1 . 34109 1 37 . 1 1 3 3 ILE N N 15 120.641 0.400 . 1 . . . . A 3 ILE N . 34109 1 38 . 1 1 4 4 THR H H 1 8.139 0.020 . 1 . . . . A 4 THR H . 34109 1 39 . 1 1 4 4 THR HA H 1 4.296 0.020 . 1 . . . . A 4 THR HA . 34109 1 40 . 1 1 4 4 THR HB H 1 4.366 0.020 . 1 . . . . A 4 THR HB . 34109 1 41 . 1 1 4 4 THR HG21 H 1 1.300 0.020 . 1 . . . . A 4 THR HG21 . 34109 1 42 . 1 1 4 4 THR HG22 H 1 1.300 0.020 . 1 . . . . A 4 THR HG22 . 34109 1 43 . 1 1 4 4 THR HG23 H 1 1.300 0.020 . 1 . . . . A 4 THR HG23 . 34109 1 44 . 1 1 4 4 THR C C 13 175.242 0.400 . 1 . . . . A 4 THR C . 34109 1 45 . 1 1 4 4 THR CA C 13 62.659 0.400 . 1 . . . . A 4 THR CA . 34109 1 46 . 1 1 4 4 THR CB C 13 68.986 0.400 . 1 . . . . A 4 THR CB . 34109 1 47 . 1 1 4 4 THR CG2 C 13 21.780 0.400 . 1 . . . . A 4 THR CG2 . 34109 1 48 . 1 1 4 4 THR N N 15 113.308 0.400 . 1 . . . . A 4 THR N . 34109 1 49 . 1 1 5 5 SER H H 1 8.086 0.020 . 1 . . . . A 5 SER H . 34109 1 50 . 1 1 5 5 SER HA H 1 4.403 0.020 . 1 . . . . A 5 SER HA . 34109 1 51 . 1 1 5 5 SER HB2 H 1 3.934 0.020 . 2 . . . . A 5 SER HB2 . 34109 1 52 . 1 1 5 5 SER HB3 H 1 3.997 0.020 . 2 . . . . A 5 SER HB3 . 34109 1 53 . 1 1 5 5 SER C C 13 174.637 0.400 . 1 . . . . A 5 SER C . 34109 1 54 . 1 1 5 5 SER CA C 13 59.357 0.400 . 1 . . . . A 5 SER CA . 34109 1 55 . 1 1 5 5 SER CB C 13 63.188 0.400 . 1 . . . . A 5 SER CB . 34109 1 56 . 1 1 5 5 SER N N 15 116.360 0.400 . 1 . . . . A 5 SER N . 34109 1 57 . 1 1 6 6 GLN H H 1 8.141 0.020 . 1 . . . . A 6 GLN H . 34109 1 58 . 1 1 6 6 GLN HA H 1 4.431 0.020 . 1 . . . . A 6 GLN HA . 34109 1 59 . 1 1 6 6 GLN HB2 H 1 2.216 0.020 . 2 . . . . A 6 GLN HB2 . 34109 1 60 . 1 1 6 6 GLN HB3 H 1 2.057 0.020 . 2 . . . . A 6 GLN HB3 . 34109 1 61 . 1 1 6 6 GLN HG2 H 1 2.415 0.020 . 2 . . . . A 6 GLN HG2 . 34109 1 62 . 1 1 6 6 GLN HG3 H 1 2.415 0.020 . 2 . . . . A 6 GLN HG3 . 34109 1 63 . 1 1 6 6 GLN C C 13 175.804 0.400 . 1 . . . . A 6 GLN C . 34109 1 64 . 1 1 6 6 GLN CA C 13 55.791 0.400 . 1 . . . . A 6 GLN CA . 34109 1 65 . 1 1 6 6 GLN CB C 13 28.781 0.400 . 1 . . . . A 6 GLN CB . 34109 1 66 . 1 1 6 6 GLN CG C 13 33.619 0.400 . 1 . . . . A 6 GLN CG . 34109 1 67 . 1 1 6 6 GLN N N 15 119.922 0.400 . 1 . . . . A 6 GLN N . 34109 1 68 . 1 1 7 7 MET H H 1 8.072 0.020 . 1 . . . . A 7 MET H . 34109 1 69 . 1 1 7 7 MET HA H 1 4.387 0.020 . 1 . . . . A 7 MET HA . 34109 1 70 . 1 1 7 7 MET HB2 H 1 2.188 0.020 . 2 . . . . A 7 MET HB2 . 34109 1 71 . 1 1 7 7 MET HB3 H 1 2.019 0.020 . 2 . . . . A 7 MET HB3 . 34109 1 72 . 1 1 7 7 MET HG2 H 1 2.612 0.020 . 2 . . . . A 7 MET HG2 . 34109 1 73 . 1 1 7 7 MET HG3 H 1 2.560 0.020 . 2 . . . . A 7 MET HG3 . 34109 1 74 . 1 1 7 7 MET C C 13 174.846 0.400 . 1 . . . . A 7 MET C . 34109 1 75 . 1 1 7 7 MET CA C 13 56.253 0.400 . 1 . . . . A 7 MET CA . 34109 1 76 . 1 1 7 7 MET CB C 13 33.434 0.400 . 1 . . . . A 7 MET CB . 34109 1 77 . 1 1 7 7 MET CG C 13 32.140 0.400 . 1 . . . . A 7 MET CG . 34109 1 78 . 1 1 7 7 MET N N 15 119.274 0.400 . 1 . . . . A 7 MET N . 34109 1 79 . 1 1 8 8 ASN H H 1 7.896 0.020 . 1 . . . . A 8 ASN H . 34109 1 80 . 1 1 8 8 ASN HA H 1 4.739 0.020 . 1 . . . . A 8 ASN HA . 34109 1 81 . 1 1 8 8 ASN HB2 H 1 3.132 0.020 . 2 . . . . A 8 ASN HB2 . 34109 1 82 . 1 1 8 8 ASN HB3 H 1 2.882 0.020 . 2 . . . . A 8 ASN HB3 . 34109 1 83 . 1 1 8 8 ASN CA C 13 53.942 0.400 . 1 . . . . A 8 ASN CA . 34109 1 84 . 1 1 8 8 ASN CB C 13 38.706 0.400 . 1 . . . . A 8 ASN CB . 34109 1 85 . 1 1 8 8 ASN N N 15 118.568 0.400 . 1 . . . . A 8 ASN N . 34109 1 86 . 1 1 9 9 LYS HB2 H 1 1.868 0.020 . 2 . . . . A 9 LYS HB2 . 34109 1 87 . 1 1 9 9 LYS HB3 H 1 1.868 0.020 . 2 . . . . A 9 LYS HB3 . 34109 1 88 . 1 1 9 9 LYS HG3 H 1 1.722 0.020 . 2 . . . . A 9 LYS HG3 . 34109 1 89 . 1 1 9 9 LYS HD2 H 1 1.762 0.020 . 2 . . . . A 9 LYS HD2 . 34109 1 90 . 1 1 9 9 LYS HE2 H 1 2.989 0.020 . 2 . . . . A 9 LYS HE2 . 34109 1 91 . 1 1 9 9 LYS HE3 H 1 2.989 0.020 . 2 . . . . A 9 LYS HE3 . 34109 1 92 . 1 1 9 9 LYS CA C 13 60.028 0.400 . 1 . . . . A 9 LYS CA . 34109 1 93 . 1 1 9 9 LYS CB C 13 32.477 0.400 . 1 . . . . A 9 LYS CB . 34109 1 94 . 1 1 9 9 LYS CD C 13 29.415 0.400 . 1 . . . . A 9 LYS CD . 34109 1 95 . 1 1 9 9 LYS CE C 13 41.606 0.400 . 1 . . . . A 9 LYS CE . 34109 1 96 . 1 1 10 10 THR H H 1 8.091 0.020 . 1 . . . . A 10 THR H . 34109 1 97 . 1 1 10 10 THR HA H 1 3.957 0.020 . 1 . . . . A 10 THR HA . 34109 1 98 . 1 1 10 10 THR HB H 1 4.354 0.020 . 1 . . . . A 10 THR HB . 34109 1 99 . 1 1 10 10 THR HG21 H 1 1.246 0.020 . 1 . . . . A 10 THR HG21 . 34109 1 100 . 1 1 10 10 THR HG22 H 1 1.246 0.020 . 1 . . . . A 10 THR HG22 . 34109 1 101 . 1 1 10 10 THR HG23 H 1 1.246 0.020 . 1 . . . . A 10 THR HG23 . 34109 1 102 . 1 1 10 10 THR C C 13 175.396 0.400 . 1 . . . . A 10 THR C . 34109 1 103 . 1 1 10 10 THR CA C 13 67.051 0.400 . 1 . . . . A 10 THR CA . 34109 1 104 . 1 1 10 10 THR CB C 13 68.064 0.400 . 1 . . . . A 10 THR CB . 34109 1 105 . 1 1 10 10 THR CG2 C 13 21.809 0.400 . 1 . . . . A 10 THR CG2 . 34109 1 106 . 1 1 10 10 THR N N 15 116.209 0.400 . 1 . . . . A 10 THR N . 34109 1 107 . 1 1 11 11 ILE H H 1 8.167 0.020 . 1 . . . . A 11 ILE H . 34109 1 108 . 1 1 11 11 ILE HA H 1 3.781 0.020 . 1 . . . . A 11 ILE HA . 34109 1 109 . 1 1 11 11 ILE HB H 1 2.009 0.020 . 1 . . . . A 11 ILE HB . 34109 1 110 . 1 1 11 11 ILE HG12 H 1 1.754 0.020 . 2 . . . . A 11 ILE HG12 . 34109 1 111 . 1 1 11 11 ILE HG13 H 1 1.235 0.020 . 2 . . . . A 11 ILE HG13 . 34109 1 112 . 1 1 11 11 ILE HG21 H 1 0.936 0.020 . 1 . . . . A 11 ILE HG21 . 34109 1 113 . 1 1 11 11 ILE HG22 H 1 0.936 0.020 . 1 . . . . A 11 ILE HG22 . 34109 1 114 . 1 1 11 11 ILE HG23 H 1 0.936 0.020 . 1 . . . . A 11 ILE HG23 . 34109 1 115 . 1 1 11 11 ILE HD11 H 1 0.907 0.020 . 1 . . . . A 11 ILE HD11 . 34109 1 116 . 1 1 11 11 ILE HD12 H 1 0.907 0.020 . 1 . . . . A 11 ILE HD12 . 34109 1 117 . 1 1 11 11 ILE HD13 H 1 0.907 0.020 . 1 . . . . A 11 ILE HD13 . 34109 1 118 . 1 1 11 11 ILE C C 13 178.116 0.400 . 1 . . . . A 11 ILE C . 34109 1 119 . 1 1 11 11 ILE CA C 13 64.773 0.400 . 1 . . . . A 11 ILE CA . 34109 1 120 . 1 1 11 11 ILE CB C 13 37.177 0.400 . 1 . . . . A 11 ILE CB . 34109 1 121 . 1 1 11 11 ILE CG1 C 13 29.011 0.400 . 1 . . . . A 11 ILE CG1 . 34109 1 122 . 1 1 11 11 ILE CG2 C 13 17.339 0.400 . 1 . . . . A 11 ILE CG2 . 34109 1 123 . 1 1 11 11 ILE CD1 C 13 12.922 0.400 . 1 . . . . A 11 ILE CD1 . 34109 1 124 . 1 1 11 11 ILE N N 15 120.350 0.400 . 1 . . . . A 11 ILE N . 34109 1 125 . 1 1 12 12 ILE H H 1 8.235 0.020 . 1 . . . . A 12 ILE H . 34109 1 126 . 1 1 12 12 ILE HA H 1 3.656 0.020 . 1 . . . . A 12 ILE HA . 34109 1 127 . 1 1 12 12 ILE HB H 1 1.997 0.020 . 1 . . . . A 12 ILE HB . 34109 1 128 . 1 1 12 12 ILE HG12 H 1 1.809 0.020 . 2 . . . . A 12 ILE HG12 . 34109 1 129 . 1 1 12 12 ILE HG13 H 1 1.127 0.020 . 2 . . . . A 12 ILE HG13 . 34109 1 130 . 1 1 12 12 ILE HG21 H 1 0.909 0.020 . 1 . . . . A 12 ILE HG21 . 34109 1 131 . 1 1 12 12 ILE HG22 H 1 0.909 0.020 . 1 . . . . A 12 ILE HG22 . 34109 1 132 . 1 1 12 12 ILE HG23 H 1 0.909 0.020 . 1 . . . . A 12 ILE HG23 . 34109 1 133 . 1 1 12 12 ILE HD11 H 1 0.858 0.020 . 1 . . . . A 12 ILE HD11 . 34109 1 134 . 1 1 12 12 ILE HD12 H 1 0.858 0.020 . 1 . . . . A 12 ILE HD12 . 34109 1 135 . 1 1 12 12 ILE HD13 H 1 0.858 0.020 . 1 . . . . A 12 ILE HD13 . 34109 1 136 . 1 1 12 12 ILE C C 13 177.180 0.400 . 1 . . . . A 12 ILE C . 34109 1 137 . 1 1 12 12 ILE CA C 13 65.138 0.400 . 1 . . . . A 12 ILE CA . 34109 1 138 . 1 1 12 12 ILE CB C 13 37.427 0.400 . 1 . . . . A 12 ILE CB . 34109 1 139 . 1 1 12 12 ILE CG1 C 13 29.031 0.400 . 1 . . . . A 12 ILE CG1 . 34109 1 140 . 1 1 12 12 ILE CG2 C 13 17.286 0.400 . 1 . . . . A 12 ILE CG2 . 34109 1 141 . 1 1 12 12 ILE CD1 C 13 12.831 0.400 . 1 . . . . A 12 ILE CD1 . 34109 1 142 . 1 1 12 12 ILE N N 15 121.609 0.400 . 1 . . . . A 12 ILE N . 34109 1 143 . 1 1 13 13 GLY H H 1 8.609 0.020 . 1 . . . . A 13 GLY H . 34109 1 144 . 1 1 13 13 GLY HA2 H 1 3.702 0.020 . 2 . . . . A 13 GLY HA2 . 34109 1 145 . 1 1 13 13 GLY C C 13 174.329 0.400 . 1 . . . . A 13 GLY C . 34109 1 146 . 1 1 13 13 GLY CA C 13 47.767 0.400 . 1 . . . . A 13 GLY CA . 34109 1 147 . 1 1 13 13 GLY N N 15 106.917 0.400 . 1 . . . . A 13 GLY N . 34109 1 148 . 1 1 14 14 VAL H H 1 8.695 0.020 . 1 . . . . A 14 VAL H . 34109 1 149 . 1 1 14 14 VAL HA H 1 3.737 0.020 . 1 . . . . A 14 VAL HA . 34109 1 150 . 1 1 14 14 VAL HB H 1 2.207 0.020 . 1 . . . . A 14 VAL HB . 34109 1 151 . 1 1 14 14 VAL HG11 H 1 0.965 0.020 . 2 . . . . A 14 VAL HG11 . 34109 1 152 . 1 1 14 14 VAL HG12 H 1 0.965 0.020 . 2 . . . . A 14 VAL HG12 . 34109 1 153 . 1 1 14 14 VAL HG13 H 1 0.965 0.020 . 2 . . . . A 14 VAL HG13 . 34109 1 154 . 1 1 14 14 VAL HG21 H 1 1.102 0.020 . 2 . . . . A 14 VAL HG21 . 34109 1 155 . 1 1 14 14 VAL HG22 H 1 1.102 0.020 . 2 . . . . A 14 VAL HG22 . 34109 1 156 . 1 1 14 14 VAL HG23 H 1 1.102 0.020 . 2 . . . . A 14 VAL HG23 . 34109 1 157 . 1 1 14 14 VAL C C 13 178.204 0.400 . 1 . . . . A 14 VAL C . 34109 1 158 . 1 1 14 14 VAL CA C 13 66.325 0.400 . 1 . . . . A 14 VAL CA . 34109 1 159 . 1 1 14 14 VAL CB C 13 31.353 0.400 . 1 . . . . A 14 VAL CB . 34109 1 160 . 1 1 14 14 VAL CG1 C 13 21.395 0.400 . 2 . . . . A 14 VAL CG1 . 34109 1 161 . 1 1 14 14 VAL CG2 C 13 23.036 0.400 . 2 . . . . A 14 VAL CG2 . 34109 1 162 . 1 1 14 14 VAL N N 15 118.955 0.400 . 1 . . . . A 14 VAL N . 34109 1 163 . 1 1 15 15 SER H H 1 8.212 0.020 . 1 . . . . A 15 SER H . 34109 1 164 . 1 1 15 15 SER HA H 1 4.154 0.020 . 1 . . . . A 15 SER HA . 34109 1 165 . 1 1 15 15 SER HB2 H 1 3.688 0.020 . 2 . . . . A 15 SER HB2 . 34109 1 166 . 1 1 15 15 SER CA C 13 63.518 0.400 . 1 . . . . A 15 SER CA . 34109 1 167 . 1 1 15 15 SER CB C 13 72.231 0.400 . 1 . . . . A 15 SER CB . 34109 1 168 . 1 1 15 15 SER N N 15 119.510 0.400 . 1 . . . . A 15 SER N . 34109 1 169 . 1 1 16 16 VAL H H 1 8.385 0.020 . 1 . . . . A 16 VAL H . 34109 1 170 . 1 1 16 16 VAL HA H 1 3.525 0.020 . 1 . . . . A 16 VAL HA . 34109 1 171 . 1 1 16 16 VAL HB H 1 2.175 0.020 . 1 . . . . A 16 VAL HB . 34109 1 172 . 1 1 16 16 VAL HG11 H 1 0.891 0.020 . 2 . . . . A 16 VAL HG11 . 34109 1 173 . 1 1 16 16 VAL HG12 H 1 0.891 0.020 . 2 . . . . A 16 VAL HG12 . 34109 1 174 . 1 1 16 16 VAL HG13 H 1 0.891 0.020 . 2 . . . . A 16 VAL HG13 . 34109 1 175 . 1 1 16 16 VAL HG21 H 1 1.057 0.020 . 2 . . . . A 16 VAL HG21 . 34109 1 176 . 1 1 16 16 VAL HG22 H 1 1.057 0.020 . 2 . . . . A 16 VAL HG22 . 34109 1 177 . 1 1 16 16 VAL HG23 H 1 1.057 0.020 . 2 . . . . A 16 VAL HG23 . 34109 1 178 . 1 1 16 16 VAL C C 13 177.037 0.400 . 1 . . . . A 16 VAL C . 34109 1 179 . 1 1 16 16 VAL CA C 13 66.696 0.400 . 1 . . . . A 16 VAL CA . 34109 1 180 . 1 1 16 16 VAL CB C 13 31.105 0.400 . 1 . . . . A 16 VAL CB . 34109 1 181 . 1 1 16 16 VAL CG1 C 13 21.047 0.400 . 2 . . . . A 16 VAL CG1 . 34109 1 182 . 1 1 16 16 VAL CG2 C 13 22.971 0.400 . 2 . . . . A 16 VAL CG2 . 34109 1 183 . 1 1 16 16 VAL N N 15 121.073 0.400 . 1 . . . . A 16 VAL N . 34109 1 184 . 1 1 17 17 LEU H H 1 8.174 0.020 . 1 . . . . A 17 LEU H . 34109 1 185 . 1 1 17 17 LEU HA H 1 4.046 0.020 . 1 . . . . A 17 LEU HA . 34109 1 186 . 1 1 17 17 LEU HB2 H 1 1.815 0.020 . 2 . . . . A 17 LEU HB2 . 34109 1 187 . 1 1 17 17 LEU HB3 H 1 1.815 0.020 . 2 . . . . A 17 LEU HB3 . 34109 1 188 . 1 1 17 17 LEU HG H 1 1.772 0.020 . 1 . . . . A 17 LEU HG . 34109 1 189 . 1 1 17 17 LEU HD11 H 1 0.888 0.020 . 2 . . . . A 17 LEU HD11 . 34109 1 190 . 1 1 17 17 LEU HD12 H 1 0.888 0.020 . 2 . . . . A 17 LEU HD12 . 34109 1 191 . 1 1 17 17 LEU HD13 H 1 0.888 0.020 . 2 . . . . A 17 LEU HD13 . 34109 1 192 . 1 1 17 17 LEU HD21 H 1 0.866 0.020 . 2 . . . . A 17 LEU HD21 . 34109 1 193 . 1 1 17 17 LEU HD22 H 1 0.866 0.020 . 2 . . . . A 17 LEU HD22 . 34109 1 194 . 1 1 17 17 LEU HD23 H 1 0.866 0.020 . 2 . . . . A 17 LEU HD23 . 34109 1 195 . 1 1 17 17 LEU C C 13 177.950 0.400 . 1 . . . . A 17 LEU C . 34109 1 196 . 1 1 17 17 LEU CA C 13 58.011 0.400 . 1 . . . . A 17 LEU CA . 34109 1 197 . 1 1 17 17 LEU CB C 13 41.524 0.400 . 1 . . . . A 17 LEU CB . 34109 1 198 . 1 1 17 17 LEU CG C 13 26.723 0.400 . 1 . . . . A 17 LEU CG . 34109 1 199 . 1 1 17 17 LEU CD1 C 13 24.076 0.400 . 2 . . . . A 17 LEU CD1 . 34109 1 200 . 1 1 17 17 LEU CD2 C 13 24.253 0.400 . 2 . . . . A 17 LEU CD2 . 34109 1 201 . 1 1 17 17 LEU N N 15 118.145 0.400 . 1 . . . . A 17 LEU N . 34109 1 202 . 1 1 18 18 SER H H 1 8.292 0.020 . 1 . . . . A 18 SER H . 34109 1 203 . 1 1 18 18 SER HA H 1 4.123 0.020 . 1 . . . . A 18 SER HA . 34109 1 204 . 1 1 18 18 SER HB2 H 1 3.801 0.020 . 2 . . . . A 18 SER HB2 . 34109 1 205 . 1 1 18 18 SER HB3 H 1 3.631 0.020 . 2 . . . . A 18 SER HB3 . 34109 1 206 . 1 1 18 18 SER C C 13 175.088 0.400 . 1 . . . . A 18 SER C . 34109 1 207 . 1 1 18 18 SER CA C 13 63.518 0.400 . 1 . . . . A 18 SER CA . 34109 1 208 . 1 1 18 18 SER CB C 13 62.605 0.400 . 1 . . . . A 18 SER CB . 34109 1 209 . 1 1 18 18 SER N N 15 114.374 0.400 . 1 . . . . A 18 SER N . 34109 1 210 . 1 1 19 19 VAL H H 1 7.881 0.020 . 1 . . . . A 19 VAL H . 34109 1 211 . 1 1 19 19 VAL HA H 1 3.551 0.020 . 1 . . . . A 19 VAL HA . 34109 1 212 . 1 1 19 19 VAL HB H 1 2.244 0.020 . 1 . . . . A 19 VAL HB . 34109 1 213 . 1 1 19 19 VAL HG11 H 1 0.884 0.020 . 2 . . . . A 19 VAL HG11 . 34109 1 214 . 1 1 19 19 VAL HG12 H 1 0.884 0.020 . 2 . . . . A 19 VAL HG12 . 34109 1 215 . 1 1 19 19 VAL HG13 H 1 0.884 0.020 . 2 . . . . A 19 VAL HG13 . 34109 1 216 . 1 1 19 19 VAL HG21 H 1 1.074 0.020 . 2 . . . . A 19 VAL HG21 . 34109 1 217 . 1 1 19 19 VAL HG22 H 1 1.074 0.020 . 2 . . . . A 19 VAL HG22 . 34109 1 218 . 1 1 19 19 VAL HG23 H 1 1.074 0.020 . 2 . . . . A 19 VAL HG23 . 34109 1 219 . 1 1 19 19 VAL C C 13 178.281 0.400 . 1 . . . . A 19 VAL C . 34109 1 220 . 1 1 19 19 VAL CA C 13 66.324 0.400 . 1 . . . . A 19 VAL CA . 34109 1 221 . 1 1 19 19 VAL CB C 13 31.323 0.400 . 1 . . . . A 19 VAL CB . 34109 1 222 . 1 1 19 19 VAL CG1 C 13 21.160 0.400 . 2 . . . . A 19 VAL CG1 . 34109 1 223 . 1 1 19 19 VAL CG2 C 13 22.942 0.400 . 2 . . . . A 19 VAL CG2 . 34109 1 224 . 1 1 19 19 VAL N N 15 120.511 0.400 . 1 . . . . A 19 VAL N . 34109 1 225 . 1 1 20 20 LEU H H 1 8.272 0.020 . 1 . . . . A 20 LEU H . 34109 1 226 . 1 1 20 20 LEU HA H 1 4.035 0.020 . 1 . . . . A 20 LEU HA . 34109 1 227 . 1 1 20 20 LEU HB2 H 1 1.904 0.020 . 2 . . . . A 20 LEU HB2 . 34109 1 228 . 1 1 20 20 LEU HB3 H 1 1.679 0.020 . 2 . . . . A 20 LEU HB3 . 34109 1 229 . 1 1 20 20 LEU HG H 1 1.815 0.020 . 1 . . . . A 20 LEU HG . 34109 1 230 . 1 1 20 20 LEU HD11 H 1 0.840 0.020 . 2 . . . . A 20 LEU HD11 . 34109 1 231 . 1 1 20 20 LEU HD12 H 1 0.840 0.020 . 2 . . . . A 20 LEU HD12 . 34109 1 232 . 1 1 20 20 LEU HD13 H 1 0.840 0.020 . 2 . . . . A 20 LEU HD13 . 34109 1 233 . 1 1 20 20 LEU HD21 H 1 0.876 0.020 . 2 . . . . A 20 LEU HD21 . 34109 1 234 . 1 1 20 20 LEU HD22 H 1 0.876 0.020 . 2 . . . . A 20 LEU HD22 . 34109 1 235 . 1 1 20 20 LEU HD23 H 1 0.876 0.020 . 2 . . . . A 20 LEU HD23 . 34109 1 236 . 1 1 20 20 LEU C C 13 177.664 0.400 . 1 . . . . A 20 LEU C . 34109 1 237 . 1 1 20 20 LEU CA C 13 58.393 0.400 . 1 . . . . A 20 LEU CA . 34109 1 238 . 1 1 20 20 LEU CB C 13 41.321 0.400 . 1 . . . . A 20 LEU CB . 34109 1 239 . 1 1 20 20 LEU CG C 13 26.565 0.400 . 1 . . . . A 20 LEU CG . 34109 1 240 . 1 1 20 20 LEU CD1 C 13 24.604 0.400 . 2 . . . . A 20 LEU CD1 . 34109 1 241 . 1 1 20 20 LEU CD2 C 13 23.435 0.400 . 2 . . . . A 20 LEU CD2 . 34109 1 242 . 1 1 20 20 LEU N N 15 122.012 0.400 . 1 . . . . A 20 LEU N . 34109 1 243 . 1 1 21 21 VAL H H 1 8.506 0.020 . 1 . . . . A 21 VAL H . 34109 1 244 . 1 1 21 21 VAL HA H 1 3.506 0.020 . 1 . . . . A 21 VAL HA . 34109 1 245 . 1 1 21 21 VAL HB H 1 2.206 0.020 . 1 . . . . A 21 VAL HB . 34109 1 246 . 1 1 21 21 VAL HG11 H 1 0.891 0.020 . 2 . . . . A 21 VAL HG11 . 34109 1 247 . 1 1 21 21 VAL HG12 H 1 0.891 0.020 . 2 . . . . A 21 VAL HG12 . 34109 1 248 . 1 1 21 21 VAL HG13 H 1 0.891 0.020 . 2 . . . . A 21 VAL HG13 . 34109 1 249 . 1 1 21 21 VAL HG21 H 1 1.059 0.020 . 2 . . . . A 21 VAL HG21 . 34109 1 250 . 1 1 21 21 VAL HG22 H 1 1.059 0.020 . 2 . . . . A 21 VAL HG22 . 34109 1 251 . 1 1 21 21 VAL HG23 H 1 1.059 0.020 . 2 . . . . A 21 VAL HG23 . 34109 1 252 . 1 1 21 21 VAL C C 13 177.136 0.400 . 1 . . . . A 21 VAL C . 34109 1 253 . 1 1 21 21 VAL CA C 13 67.381 0.400 . 1 . . . . A 21 VAL CA . 34109 1 254 . 1 1 21 21 VAL CB C 13 31.102 0.400 . 1 . . . . A 21 VAL CB . 34109 1 255 . 1 1 21 21 VAL CG1 C 13 21.069 0.400 . 2 . . . . A 21 VAL CG1 . 34109 1 256 . 1 1 21 21 VAL CG2 C 13 22.876 0.400 . 2 . . . . A 21 VAL CG2 . 34109 1 257 . 1 1 21 21 VAL N N 15 117.715 0.400 . 1 . . . . A 21 VAL N . 34109 1 258 . 1 1 22 22 VAL H H 1 8.309 0.020 . 1 . . . . A 22 VAL H . 34109 1 259 . 1 1 22 22 VAL HA H 1 3.492 0.020 . 1 . . . . A 22 VAL HA . 34109 1 260 . 1 1 22 22 VAL HB H 1 2.163 0.020 . 1 . . . . A 22 VAL HB . 34109 1 261 . 1 1 22 22 VAL HG11 H 1 0.888 0.020 . 2 . . . . A 22 VAL HG11 . 34109 1 262 . 1 1 22 22 VAL HG12 H 1 0.888 0.020 . 2 . . . . A 22 VAL HG12 . 34109 1 263 . 1 1 22 22 VAL HG13 H 1 0.888 0.020 . 2 . . . . A 22 VAL HG13 . 34109 1 264 . 1 1 22 22 VAL HG21 H 1 1.084 0.020 . 2 . . . . A 22 VAL HG21 . 34109 1 265 . 1 1 22 22 VAL HG22 H 1 1.084 0.020 . 2 . . . . A 22 VAL HG22 . 34109 1 266 . 1 1 22 22 VAL HG23 H 1 1.084 0.020 . 2 . . . . A 22 VAL HG23 . 34109 1 267 . 1 1 22 22 VAL C C 13 176.850 0.400 . 1 . . . . A 22 VAL C . 34109 1 268 . 1 1 22 22 VAL CA C 13 67.010 0.400 . 1 . . . . A 22 VAL CA . 34109 1 269 . 1 1 22 22 VAL CB C 13 31.000 0.400 . 1 . . . . A 22 VAL CB . 34109 1 270 . 1 1 22 22 VAL CG1 C 13 21.076 0.400 . 2 . . . . A 22 VAL CG1 . 34109 1 271 . 1 1 22 22 VAL CG2 C 13 23.401 0.400 . 2 . . . . A 22 VAL CG2 . 34109 1 272 . 1 1 22 22 VAL N N 15 117.251 0.400 . 1 . . . . A 22 VAL N . 34109 1 273 . 1 1 23 23 SER H H 1 8.181 0.020 . 1 . . . . A 23 SER H . 34109 1 274 . 1 1 23 23 SER HA H 1 4.101 0.020 . 1 . . . . A 23 SER HA . 34109 1 275 . 1 1 23 23 SER HB2 H 1 3.834 0.020 . 2 . . . . A 23 SER HB2 . 34109 1 276 . 1 1 23 23 SER HB3 H 1 3.614 0.020 . 2 . . . . A 23 SER HB3 . 34109 1 277 . 1 1 23 23 SER C C 13 175.000 0.400 . 1 . . . . A 23 SER C . 34109 1 278 . 1 1 23 23 SER CA C 13 63.452 0.400 . 1 . . . . A 23 SER CA . 34109 1 279 . 1 1 23 23 SER CB C 13 62.733 0.400 . 1 . . . . A 23 SER CB . 34109 1 280 . 1 1 23 23 SER N N 15 115.665 0.400 . 1 . . . . A 23 SER N . 34109 1 281 . 1 1 24 24 VAL H H 1 8.125 0.020 . 1 . . . . A 24 VAL H . 34109 1 282 . 1 1 24 24 VAL HA H 1 3.560 0.020 . 1 . . . . A 24 VAL HA . 34109 1 283 . 1 1 24 24 VAL HB H 1 2.270 0.020 . 1 . . . . A 24 VAL HB . 34109 1 284 . 1 1 24 24 VAL HG11 H 1 0.942 0.020 . 2 . . . . A 24 VAL HG11 . 34109 1 285 . 1 1 24 24 VAL HG12 H 1 0.942 0.020 . 2 . . . . A 24 VAL HG12 . 34109 1 286 . 1 1 24 24 VAL HG13 H 1 0.942 0.020 . 2 . . . . A 24 VAL HG13 . 34109 1 287 . 1 1 24 24 VAL HG21 H 1 1.059 0.020 . 2 . . . . A 24 VAL HG21 . 34109 1 288 . 1 1 24 24 VAL HG22 H 1 1.059 0.020 . 2 . . . . A 24 VAL HG22 . 34109 1 289 . 1 1 24 24 VAL HG23 H 1 1.059 0.020 . 2 . . . . A 24 VAL HG23 . 34109 1 290 . 1 1 24 24 VAL C C 13 177.400 0.400 . 1 . . . . A 24 VAL C . 34109 1 291 . 1 1 24 24 VAL CA C 13 66.806 0.400 . 1 . . . . A 24 VAL CA . 34109 1 292 . 1 1 24 24 VAL CB C 13 31.112 0.400 . 1 . . . . A 24 VAL CB . 34109 1 293 . 1 1 24 24 VAL CG1 C 13 21.403 0.400 . 2 . . . . A 24 VAL CG1 . 34109 1 294 . 1 1 24 24 VAL CG2 C 13 23.084 0.400 . 2 . . . . A 24 VAL CG2 . 34109 1 295 . 1 1 24 24 VAL N N 15 120.748 0.400 . 1 . . . . A 24 VAL N . 34109 1 296 . 1 1 25 25 VAL H H 1 8.290 0.020 . 1 . . . . A 25 VAL H . 34109 1 297 . 1 1 25 25 VAL HA H 1 3.517 0.020 . 1 . . . . A 25 VAL HA . 34109 1 298 . 1 1 25 25 VAL HB H 1 2.318 0.020 . 1 . . . . A 25 VAL HB . 34109 1 299 . 1 1 25 25 VAL HG11 H 1 0.934 0.020 . 2 . . . . A 25 VAL HG11 . 34109 1 300 . 1 1 25 25 VAL HG12 H 1 0.934 0.020 . 2 . . . . A 25 VAL HG12 . 34109 1 301 . 1 1 25 25 VAL HG13 H 1 0.934 0.020 . 2 . . . . A 25 VAL HG13 . 34109 1 302 . 1 1 25 25 VAL HG21 H 1 1.063 0.020 . 2 . . . . A 25 VAL HG21 . 34109 1 303 . 1 1 25 25 VAL HG22 H 1 1.063 0.020 . 2 . . . . A 25 VAL HG22 . 34109 1 304 . 1 1 25 25 VAL HG23 H 1 1.063 0.020 . 2 . . . . A 25 VAL HG23 . 34109 1 305 . 1 1 25 25 VAL C C 13 176.993 0.400 . 1 . . . . A 25 VAL C . 34109 1 306 . 1 1 25 25 VAL CA C 13 67.407 0.400 . 1 . . . . A 25 VAL CA . 34109 1 307 . 1 1 25 25 VAL CB C 13 31.120 0.400 . 1 . . . . A 25 VAL CB . 34109 1 308 . 1 1 25 25 VAL CG1 C 13 21.280 0.400 . 2 . . . . A 25 VAL CG1 . 34109 1 309 . 1 1 25 25 VAL CG2 C 13 23.080 0.400 . 2 . . . . A 25 VAL CG2 . 34109 1 310 . 1 1 25 25 VAL N N 15 118.655 0.400 . 1 . . . . A 25 VAL N . 34109 1 311 . 1 1 26 26 ALA H H 1 8.811 0.020 . 1 . . . . A 26 ALA H . 34109 1 312 . 1 1 26 26 ALA HA H 1 4.013 0.020 . 1 . . . . A 26 ALA HA . 34109 1 313 . 1 1 26 26 ALA HB1 H 1 1.569 0.020 . 1 . . . . A 26 ALA HB1 . 34109 1 314 . 1 1 26 26 ALA HB2 H 1 1.569 0.020 . 1 . . . . A 26 ALA HB2 . 34109 1 315 . 1 1 26 26 ALA HB3 H 1 1.569 0.020 . 1 . . . . A 26 ALA HB3 . 34109 1 316 . 1 1 26 26 ALA C C 13 178.886 0.400 . 1 . . . . A 26 ALA C . 34109 1 317 . 1 1 26 26 ALA CA C 13 55.733 0.400 . 1 . . . . A 26 ALA CA . 34109 1 318 . 1 1 26 26 ALA CB C 13 17.930 0.400 . 1 . . . . A 26 ALA CB . 34109 1 319 . 1 1 26 26 ALA N N 15 120.756 0.400 . 1 . . . . A 26 ALA N . 34109 1 320 . 1 1 27 27 VAL H H 1 8.225 0.020 . 1 . . . . A 27 VAL H . 34109 1 321 . 1 1 27 27 VAL HA H 1 3.684 0.020 . 1 . . . . A 27 VAL HA . 34109 1 322 . 1 1 27 27 VAL HB H 1 2.334 0.020 . 1 . . . . A 27 VAL HB . 34109 1 323 . 1 1 27 27 VAL HG11 H 1 1.013 0.020 . 2 . . . . A 27 VAL HG11 . 34109 1 324 . 1 1 27 27 VAL HG12 H 1 1.013 0.020 . 2 . . . . A 27 VAL HG12 . 34109 1 325 . 1 1 27 27 VAL HG13 H 1 1.013 0.020 . 2 . . . . A 27 VAL HG13 . 34109 1 326 . 1 1 27 27 VAL HG21 H 1 1.155 0.020 . 2 . . . . A 27 VAL HG21 . 34109 1 327 . 1 1 27 27 VAL HG22 H 1 1.155 0.020 . 2 . . . . A 27 VAL HG22 . 34109 1 328 . 1 1 27 27 VAL HG23 H 1 1.155 0.020 . 2 . . . . A 27 VAL HG23 . 34109 1 329 . 1 1 27 27 VAL C C 13 177.510 0.400 . 1 . . . . A 27 VAL C . 34109 1 330 . 1 1 27 27 VAL CA C 13 66.754 0.400 . 1 . . . . A 27 VAL CA . 34109 1 331 . 1 1 27 27 VAL CB C 13 31.074 0.400 . 1 . . . . A 27 VAL CB . 34109 1 332 . 1 1 27 27 VAL CG1 C 13 21.657 0.400 . 2 . . . . A 27 VAL CG1 . 34109 1 333 . 1 1 27 27 VAL CG2 C 13 23.335 0.400 . 2 . . . . A 27 VAL CG2 . 34109 1 334 . 1 1 27 27 VAL N N 15 116.501 0.400 . 1 . . . . A 27 VAL N . 34109 1 335 . 1 1 28 28 LEU H H 1 8.380 0.020 . 1 . . . . A 28 LEU H . 34109 1 336 . 1 1 28 28 LEU HA H 1 4.211 0.020 . 1 . . . . A 28 LEU HA . 34109 1 337 . 1 1 28 28 LEU HB2 H 1 2.307 0.020 . 2 . . . . A 28 LEU HB2 . 34109 1 338 . 1 1 28 28 LEU HB3 H 1 1.523 0.020 . 2 . . . . A 28 LEU HB3 . 34109 1 339 . 1 1 28 28 LEU HG H 1 2.196 0.020 . 1 . . . . A 28 LEU HG . 34109 1 340 . 1 1 28 28 LEU HD11 H 1 0.901 0.020 . 2 . . . . A 28 LEU HD11 . 34109 1 341 . 1 1 28 28 LEU HD12 H 1 0.901 0.020 . 2 . . . . A 28 LEU HD12 . 34109 1 342 . 1 1 28 28 LEU HD13 H 1 0.901 0.020 . 2 . . . . A 28 LEU HD13 . 34109 1 343 . 1 1 28 28 LEU HD21 H 1 0.953 0.020 . 2 . . . . A 28 LEU HD21 . 34109 1 344 . 1 1 28 28 LEU HD22 H 1 0.953 0.020 . 2 . . . . A 28 LEU HD22 . 34109 1 345 . 1 1 28 28 LEU HD23 H 1 0.953 0.020 . 2 . . . . A 28 LEU HD23 . 34109 1 346 . 1 1 28 28 LEU C C 13 178.974 0.400 . 1 . . . . A 28 LEU C . 34109 1 347 . 1 1 28 28 LEU CA C 13 58.234 0.400 . 1 . . . . A 28 LEU CA . 34109 1 348 . 1 1 28 28 LEU CB C 13 41.540 0.400 . 1 . . . . A 28 LEU CB . 34109 1 349 . 1 1 28 28 LEU CG C 13 26.433 0.400 . 1 . . . . A 28 LEU CG . 34109 1 350 . 1 1 28 28 LEU CD1 C 13 25.867 0.400 . 2 . . . . A 28 LEU CD1 . 34109 1 351 . 1 1 28 28 LEU CD2 C 13 22.937 0.400 . 2 . . . . A 28 LEU CD2 . 34109 1 352 . 1 1 28 28 LEU N N 15 119.755 0.400 . 1 . . . . A 28 LEU N . 34109 1 353 . 1 1 29 29 VAL H H 1 9.028 0.020 . 1 . . . . A 29 VAL H . 34109 1 354 . 1 1 29 29 VAL HA H 1 3.800 0.020 . 1 . . . . A 29 VAL HA . 34109 1 355 . 1 1 29 29 VAL HB H 1 2.393 0.020 . 1 . . . . A 29 VAL HB . 34109 1 356 . 1 1 29 29 VAL HG11 H 1 1.122 0.020 . 2 . . . . A 29 VAL HG11 . 34109 1 357 . 1 1 29 29 VAL HG12 H 1 1.122 0.020 . 2 . . . . A 29 VAL HG12 . 34109 1 358 . 1 1 29 29 VAL HG13 H 1 1.122 0.020 . 2 . . . . A 29 VAL HG13 . 34109 1 359 . 1 1 29 29 VAL HG21 H 1 1.148 0.020 . 2 . . . . A 29 VAL HG21 . 34109 1 360 . 1 1 29 29 VAL HG22 H 1 1.148 0.020 . 2 . . . . A 29 VAL HG22 . 34109 1 361 . 1 1 29 29 VAL HG23 H 1 1.148 0.020 . 2 . . . . A 29 VAL HG23 . 34109 1 362 . 1 1 29 29 VAL C C 13 178.038 0.400 . 1 . . . . A 29 VAL C . 34109 1 363 . 1 1 29 29 VAL CA C 13 66.947 0.400 . 1 . . . . A 29 VAL CA . 34109 1 364 . 1 1 29 29 VAL CB C 13 31.226 0.400 . 1 . . . . A 29 VAL CB . 34109 1 365 . 1 1 29 29 VAL CG1 C 13 22.128 0.400 . 2 . . . . A 29 VAL CG1 . 34109 1 366 . 1 1 29 29 VAL CG2 C 13 23.430 0.400 . 2 . . . . A 29 VAL CG2 . 34109 1 367 . 1 1 29 29 VAL N N 15 119.409 0.400 . 1 . . . . A 29 VAL N . 34109 1 368 . 1 1 30 30 TYR H H 1 8.814 0.020 . 1 . . . . A 30 TYR H . 34109 1 369 . 1 1 30 30 TYR HA H 1 4.365 0.020 . 1 . . . . A 30 TYR HA . 34109 1 370 . 1 1 30 30 TYR HB2 H 1 3.365 0.020 . 2 . . . . A 30 TYR HB2 . 34109 1 371 . 1 1 30 30 TYR HB3 H 1 3.177 0.020 . 2 . . . . A 30 TYR HB3 . 34109 1 372 . 1 1 30 30 TYR HD1 H 1 6.914 0.020 . 1 . . . . A 30 TYR HD1 . 34109 1 373 . 1 1 30 30 TYR HD2 H 1 6.914 0.020 . 1 . . . . A 30 TYR HD2 . 34109 1 374 . 1 1 30 30 TYR C C 13 176.883 0.400 . 1 . . . . A 30 TYR C . 34109 1 375 . 1 1 30 30 TYR CA C 13 61.919 0.400 . 1 . . . . A 30 TYR CA . 34109 1 376 . 1 1 30 30 TYR CB C 13 38.672 0.400 . 1 . . . . A 30 TYR CB . 34109 1 377 . 1 1 30 30 TYR CD1 C 13 132.419 0.400 . 3 . . . . A 30 TYR CD1 . 34109 1 378 . 1 1 30 30 TYR CE1 C 13 117.973 0.400 . 3 . . . . A 30 TYR CE1 . 34109 1 379 . 1 1 30 30 TYR N N 15 121.140 0.400 . 1 . . . . A 30 TYR N . 34109 1 380 . 1 1 31 31 LYS H H 1 8.734 0.020 . 1 . . . . A 31 LYS H . 34109 1 381 . 1 1 31 31 LYS HA H 1 3.878 0.020 . 1 . . . . A 31 LYS HA . 34109 1 382 . 1 1 31 31 LYS HB2 H 1 1.862 0.020 . 2 . . . . A 31 LYS HB2 . 34109 1 383 . 1 1 31 31 LYS HB3 H 1 1.558 0.020 . 2 . . . . A 31 LYS HB3 . 34109 1 384 . 1 1 31 31 LYS HG3 H 1 1.354 0.020 . 2 . . . . A 31 LYS HG3 . 34109 1 385 . 1 1 31 31 LYS HD2 H 1 1.595 0.020 . 2 . . . . A 31 LYS HD2 . 34109 1 386 . 1 1 31 31 LYS HD3 H 1 1.595 0.020 . 2 . . . . A 31 LYS HD3 . 34109 1 387 . 1 1 31 31 LYS HE2 H 1 2.824 0.020 . 2 . . . . A 31 LYS HE2 . 34109 1 388 . 1 1 31 31 LYS HE3 H 1 2.824 0.020 . 2 . . . . A 31 LYS HE3 . 34109 1 389 . 1 1 31 31 LYS C C 13 177.796 0.400 . 1 . . . . A 31 LYS C . 34109 1 390 . 1 1 31 31 LYS CA C 13 57.970 0.400 . 1 . . . . A 31 LYS CA . 34109 1 391 . 1 1 31 31 LYS CB C 13 32.138 0.400 . 1 . . . . A 31 LYS CB . 34109 1 392 . 1 1 31 31 LYS CG C 13 24.679 0.400 . 1 . . . . A 31 LYS CG . 34109 1 393 . 1 1 31 31 LYS CD C 13 28.197 0.400 . 1 . . . . A 31 LYS CD . 34109 1 394 . 1 1 31 31 LYS CE C 13 41.275 0.400 . 1 . . . . A 31 LYS CE . 34109 1 395 . 1 1 31 31 LYS N N 15 115.710 0.400 . 1 . . . . A 31 LYS N . 34109 1 396 . 1 1 32 32 PHE H H 1 8.520 0.020 . 1 . . . . A 32 PHE H . 34109 1 397 . 1 1 32 32 PHE HA H 1 4.662 0.020 . 1 . . . . A 32 PHE HA . 34109 1 398 . 1 1 32 32 PHE HB2 H 1 3.077 0.020 . 2 . . . . A 32 PHE HB2 . 34109 1 399 . 1 1 32 32 PHE HB3 H 1 3.077 0.020 . 2 . . . . A 32 PHE HB3 . 34109 1 400 . 1 1 32 32 PHE HD1 H 1 7.381 0.020 . 1 . . . . A 32 PHE HD1 . 34109 1 401 . 1 1 32 32 PHE HD2 H 1 7.381 0.020 . 1 . . . . A 32 PHE HD2 . 34109 1 402 . 1 1 32 32 PHE HE1 H 1 7.246 0.020 . 1 . . . . A 32 PHE HE1 . 34109 1 403 . 1 1 32 32 PHE HE2 H 1 7.246 0.020 . 1 . . . . A 32 PHE HE2 . 34109 1 404 . 1 1 32 32 PHE HZ H 1 7.214 0.020 . 1 . . . . A 32 PHE HZ . 34109 1 405 . 1 1 32 32 PHE C C 13 176.211 0.400 . 1 . . . . A 32 PHE C . 34109 1 406 . 1 1 32 32 PHE CA C 13 59.705 0.400 . 1 . . . . A 32 PHE CA . 34109 1 407 . 1 1 32 32 PHE CB C 13 39.731 0.400 . 1 . . . . A 32 PHE CB . 34109 1 408 . 1 1 32 32 PHE CD1 C 13 131.739 0.400 . 3 . . . . A 32 PHE CD1 . 34109 1 409 . 1 1 32 32 PHE CE1 C 13 130.620 0.400 . 3 . . . . A 32 PHE CE1 . 34109 1 410 . 1 1 32 32 PHE CZ C 13 129.031 0.400 . 1 . . . . A 32 PHE CZ . 34109 1 411 . 1 1 32 32 PHE N N 15 114.197 0.400 . 1 . . . . A 32 PHE N . 34109 1 412 . 1 1 33 33 TYR H H 1 8.530 0.020 . 1 . . . . A 33 TYR H . 34109 1 413 . 1 1 33 33 TYR HA H 1 4.585 0.020 . 1 . . . . A 33 TYR HA . 34109 1 414 . 1 1 33 33 TYR HB2 H 1 2.945 0.020 . 2 . . . . A 33 TYR HB2 . 34109 1 415 . 1 1 33 33 TYR HB3 H 1 2.945 0.020 . 2 . . . . A 33 TYR HB3 . 34109 1 416 . 1 1 33 33 TYR HD1 H 1 6.774 0.020 . 1 . . . . A 33 TYR HD1 . 34109 1 417 . 1 1 33 33 TYR HD2 H 1 6.774 0.020 . 1 . . . . A 33 TYR HD2 . 34109 1 418 . 1 1 33 33 TYR HE1 H 1 6.679 0.020 . 1 . . . . A 33 TYR HE1 . 34109 1 419 . 1 1 33 33 TYR HE2 H 1 6.679 0.020 . 1 . . . . A 33 TYR HE2 . 34109 1 420 . 1 1 33 33 TYR C C 13 175.507 0.400 . 1 . . . . A 33 TYR C . 34109 1 421 . 1 1 33 33 TYR CA C 13 60.028 0.400 . 1 . . . . A 33 TYR CA . 34109 1 422 . 1 1 33 33 TYR CB C 13 40.214 0.400 . 1 . . . . A 33 TYR CB . 34109 1 423 . 1 1 33 33 TYR CD1 C 13 132.365 0.400 . 3 . . . . A 33 TYR CD1 . 34109 1 424 . 1 1 33 33 TYR CE1 C 13 117.724 0.400 . 3 . . . . A 33 TYR CE1 . 34109 1 425 . 1 1 33 33 TYR N N 15 117.157 0.400 . 1 . . . . A 33 TYR N . 34109 1 426 . 1 1 34 34 PHE H H 1 7.837 0.020 . 1 . . . . A 34 PHE H . 34109 1 427 . 1 1 34 34 PHE HA H 1 4.552 0.020 . 1 . . . . A 34 PHE HA . 34109 1 428 . 1 1 34 34 PHE HB2 H 1 3.111 0.020 . 2 . . . . A 34 PHE HB2 . 34109 1 429 . 1 1 34 34 PHE HB3 H 1 2.912 0.020 . 2 . . . . A 34 PHE HB3 . 34109 1 430 . 1 1 34 34 PHE HD1 H 1 7.341 0.020 . 1 . . . . A 34 PHE HD1 . 34109 1 431 . 1 1 34 34 PHE HD2 H 1 7.341 0.020 . 1 . . . . A 34 PHE HD2 . 34109 1 432 . 1 1 34 34 PHE HZ H 1 7.239 0.020 . 1 . . . . A 34 PHE HZ . 34109 1 433 . 1 1 34 34 PHE C C 13 173.998 0.400 . 1 . . . . A 34 PHE C . 34109 1 434 . 1 1 34 34 PHE CA C 13 57.974 0.400 . 1 . . . . A 34 PHE CA . 34109 1 435 . 1 1 34 34 PHE CB C 13 38.828 0.400 . 1 . . . . A 34 PHE CB . 34109 1 436 . 1 1 34 34 PHE CD1 C 13 132.079 0.400 . 3 . . . . A 34 PHE CD1 . 34109 1 437 . 1 1 34 34 PHE CE1 C 13 130.787 0.400 . 3 . . . . A 34 PHE CE1 . 34109 1 438 . 1 1 34 34 PHE CZ C 13 129.012 0.400 . 1 . . . . A 34 PHE CZ . 34109 1 439 . 1 1 34 34 PHE N N 15 117.244 0.400 . 1 . . . . A 34 PHE N . 34109 1 440 . 1 1 35 35 HIS H H 1 7.491 0.020 . 1 . . . . A 35 HIS H . 34109 1 441 . 1 1 35 35 HIS HA H 1 4.317 0.020 . 1 . . . . A 35 HIS HA . 34109 1 442 . 1 1 35 35 HIS HB2 H 1 3.224 0.020 . 2 . . . . A 35 HIS HB2 . 34109 1 443 . 1 1 35 35 HIS HB3 H 1 3.048 0.020 . 2 . . . . A 35 HIS HB3 . 34109 1 444 . 1 1 35 35 HIS HD2 H 1 7.127 0.020 . 1 . . . . A 35 HIS HD2 . 34109 1 445 . 1 1 35 35 HIS HE1 H 1 8.255 0.020 . 1 . . . . A 35 HIS HE1 . 34109 1 446 . 1 1 35 35 HIS CA C 13 57.096 0.400 . 1 . . . . A 35 HIS CA . 34109 1 447 . 1 1 35 35 HIS CB C 13 29.685 0.400 . 1 . . . . A 35 HIS CB . 34109 1 448 . 1 1 35 35 HIS CD2 C 13 119.669 0.400 . 1 . . . . A 35 HIS CD2 . 34109 1 449 . 1 1 35 35 HIS CE1 C 13 135.847 0.400 . 1 . . . . A 35 HIS CE1 . 34109 1 450 . 1 1 35 35 HIS N N 15 122.792 0.400 . 1 . . . . A 35 HIS N . 34109 1 stop_ save_