################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27727 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.004 _Assigned_chem_shift_list.Chem_shift_13C_err 0.029 _Assigned_chem_shift_list.Chem_shift_15N_err 0.031 _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 ; A designates that the subunit that contains this residue is bound to the bis-THF side of the inhibitor. B designates that the subunit that contains this residue is bound to the aniline side of the inhibitor. If blank, the assignment to the bis-THF of aniline functional group part of the inhibitor is unknown. ; _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 HNCA' . . . 27727 1 2 '2D 1H-15N HSQC' . . . 27727 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNMR . . 27727 1 2 $TOPSPIN . . 27727 1 3 $NMRPipe . . 27727 1 4 $NMRDraw . . 27727 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 PRO CA C 13 61.942 0.031 . 6 . . . . . 1 PRO CA . 27727 1 2 . 1 . 1 2 2 GLN H H 1 8.527 0.004 . 6 . . . . . 2 GLN H . 27727 1 3 . 1 . 1 2 2 GLN CA C 13 55.543 0.031 . 6 . . . . . 2 GLN CA . 27727 1 4 . 1 . 1 2 2 GLN N N 15 120.361 0.029 . 6 . . . . . 2 GLN N . 27727 1 5 . 1 . 1 3 3 ILE H H 1 9.409 0.004 . 6 . . . . . 3 ILE H . 27727 1 6 . 1 . 1 3 3 ILE CA C 13 60.504 0.031 . 6 . . . . . 3 ILE CA . 27727 1 7 . 1 . 1 3 3 ILE N N 15 127.986 0.029 . 6 . . . . . 3 ILE N . 27727 1 8 . 1 . 1 4 4 THR H H 1 8.332 0.004 . 6 . . . . . 4 THR H . 27727 1 9 . 1 . 1 4 4 THR CA C 13 60.764 0.031 . 6 . . . . . 4 THR CA . 27727 1 10 . 1 . 1 4 4 THR N N 15 115.601 0.029 . 6 . . . . . 4 THR N . 27727 1 11 . 1 . 1 5 5 LEU H H 1 9.132 0.004 . 6 . . . . . 5 LEU H . 27727 1 12 . 1 . 1 5 5 LEU CA C 13 54.124 0.031 . 6 . . . . . 5 LEU CA . 27727 1 13 . 1 . 1 5 5 LEU N N 15 116.972 0.029 . 6 . . . . . 5 LEU N . 27727 1 14 . 1 . 1 6 6 TRP H H 1 7.322 0.004 . 6 . . . . . 6 TRP H . 27727 1 15 . 1 . 1 6 6 TRP CA C 13 58.962 0.031 . 6 . . . . . 6 TRP CA . 27727 1 16 . 1 . 1 6 6 TRP N N 15 120.797 0.029 . 6 . . . . . 6 TRP N . 27727 1 17 . 1 . 1 7 7 LYS H H 1 7.477 0.004 . 6 . . . . . 7 LYS H . 27727 1 18 . 1 . 1 7 7 LYS CA C 13 53.499 0.031 . 6 . . . . . 7 LYS CA . 27727 1 19 . 1 . 1 7 7 LYS N N 15 115.233 0.029 . 6 . . . . . 7 LYS N . 27727 1 20 . 1 . 1 8 8 ARG H H 1 8.747 0.004 . 6 . . . . . 8 ARG H . 27727 1 21 . 1 . 1 8 8 ARG CA C 13 56.225 0.031 . 6 . . . . . 8 ARG CA . 27727 1 22 . 1 . 1 8 8 ARG N N 15 120.446 0.029 . 6 . . . . . 8 ARG N . 27727 1 23 . 1 . 1 9 9 PRO CA C 13 61.657 0.031 . 6 . . . . . 9 PRO CA . 27727 1 24 . 1 . 1 10 10 ILE H H 1 7.619 0.004 . 6 . . . . . 10 ILE H . 27727 1 25 . 1 . 1 10 10 ILE CA C 13 59.181 0.031 . 6 . . . . . 10 ILE CA . 27727 1 26 . 1 . 1 10 10 ILE N N 15 126.839 0.029 . 6 . . . . . 10 ILE N . 27727 1 27 . 1 . 1 11 11 VAL H H 1 9.153 0.004 . 6 . . . . . 11 VAL H . 27727 1 28 . 1 . 1 11 11 VAL CA C 13 58.393 0.031 . 6 . . . . . 11 VAL CA . 27727 1 29 . 1 . 1 11 11 VAL N N 15 120.108 0.029 . 6 . . . . . 11 VAL N . 27727 1 30 . 1 . 1 12 12 THR H H 1 8.506 0.004 . 6 . . . . . 12 THR H . 27727 1 31 . 1 . 1 12 12 THR CA C 13 62.75 0.031 . 6 . . . . . 12 THR CA . 27727 1 32 . 1 . 1 12 12 THR N N 15 116.342 0.029 . 6 . . . . . 12 THR N . 27727 1 33 . 1 . 1 13 13 ILE H H 1 9.289 0.004 . 6 . . . . . 13 ILE H . 27727 1 34 . 1 . 1 13 13 ILE CA C 13 57.977 0.031 . 6 . . . . . 13 ILE CA . 27727 1 35 . 1 . 1 13 13 ILE N N 15 120.831 0.029 . 6 . . . . . 13 ILE N . 27727 1 36 . 1 . 1 14 14 ARG H H 1 8.598 0.004 . 6 . . . . . 14 ARG H . 27727 1 37 . 1 . 1 14 14 ARG CA C 13 54.684 0.031 . 6 . . . . . 14 ARG CA . 27727 1 38 . 1 . 1 14 14 ARG N N 15 120.661 0.029 . 6 . . . . . 14 ARG N . 27727 1 39 . 1 . 1 15 15 ILE H H 1 8.928 0.004 . 6 . . . . . 15 ILE H . 27727 1 40 . 1 . 1 15 15 ILE CA C 13 59.151 0.031 . 6 . . . . . 15 ILE CA . 27727 1 41 . 1 . 1 15 15 ILE N N 15 124.866 0.029 . 6 . . . . . 15 ILE N . 27727 1 42 . 1 . 1 16 16 GLY H H 1 9.721 0.004 . 6 . . . . . 16 GLY H . 27727 1 43 . 1 . 1 16 16 GLY CA C 13 46.925 0.031 . 6 . . . . . 16 GLY CA . 27727 1 44 . 1 . 1 16 16 GLY N N 15 118.123 0.029 . 6 . . . . . 16 GLY N . 27727 1 45 . 1 . 1 17 17 GLY H H 1 8.772 0.004 . 6 . . . . . 17 GLY H . 27727 1 46 . 1 . 1 17 17 GLY CA C 13 45.027 0.031 . 6 . . . . . 17 GLY CA . 27727 1 47 . 1 . 1 17 17 GLY N N 15 105.473 0.029 . 6 . . . . . 17 GLY N . 27727 1 48 . 1 . 1 18 18 GLN H H 1 7.986 0.004 . 6 . . . . . 18 GLN H . 27727 1 49 . 1 . 1 18 18 GLN CA C 13 54.361 0.031 . 6 . . . . . 18 GLN CA . 27727 1 50 . 1 . 1 18 18 GLN N N 15 119.95 0.029 . 6 . . . . . 18 GLN N . 27727 1 51 . 1 . 1 19 19 LEU H H 1 8.457 0.004 . 6 . . . . . 19 LEU H . 27727 1 52 . 1 . 1 19 19 LEU CA C 13 54.254 0.031 . 6 . . . . . 19 LEU CA . 27727 1 53 . 1 . 1 19 19 LEU N N 15 123.345 0.029 . 6 . . . . . 19 LEU N . 27727 1 54 . 1 . 1 20 20 LYS H H 1 8.995 0.004 . 6 . . . . . 20 LYS H . 27727 1 55 . 1 . 1 20 20 LYS CA C 13 54.141 0.031 . 6 . . . . . 20 LYS CA . 27727 1 56 . 1 . 1 20 20 LYS N N 15 123.44 0.029 . 6 . . . . . 20 LYS N . 27727 1 57 . 1 . 1 21 21 GLU H H 1 8.575 0.004 . 6 . . . . . 21 GLU H . 27727 1 58 . 1 . 1 21 21 GLU CA C 13 55.106 0.031 . 6 . . . . . 21 GLU CA . 27727 1 59 . 1 . 1 21 21 GLU N N 15 119.587 0.029 . 6 . . . . . 21 GLU N . 27727 1 60 . 1 . 1 22 22 ALA H H 1 9.218 0.004 . 1 . . . . . 22 ALA H A 27727 1 61 . 1 . 1 22 22 ALA CA C 13 50.827 0.031 . 6 . . . . . 22 ALA CA . 27727 1 62 . 1 . 1 22 22 ALA N N 15 123.33 0.029 . 1 . . . . . 22 ALA N A 27727 1 63 . 1 . 1 23 23 LEU H H 1 8.692 0.004 . 1 . . . . . 23 LEU H A 27727 1 64 . 1 . 1 23 23 LEU CA C 13 53.32 0.031 . 1 . . . . . 23 LEU CA A 27727 1 65 . 1 . 1 23 23 LEU N N 15 121.436 0.029 . 1 . . . . . 23 LEU N A 27727 1 66 . 1 . 1 24 24 LEU H H 1 8.449 0.004 . 1 . . . . . 24 LEU H A 27727 1 67 . 1 . 1 24 24 LEU CA C 13 55.573 0.031 . 1 . . . . . 24 LEU CA A 27727 1 68 . 1 . 1 24 24 LEU N N 15 124.867 0.029 . 1 . . . . . 24 LEU N A 27727 1 69 . 1 . 1 25 25 ASP H H 1 8.734 0.004 . 1 . . . . . 25 ASP H A 27727 1 70 . 1 . 1 25 25 ASP CA C 13 52.239 0.031 . 1 . . . . . 25 ASP CA A 27727 1 71 . 1 . 1 25 25 ASP N N 15 128.8 0.029 . 1 . . . . . 25 ASP N A 27727 1 72 . 1 . 1 26 26 THR H H 1 8.199 0.004 . 1 . . . . . 26 THR H A 27727 1 73 . 1 . 1 26 26 THR CA C 13 65.535 0.031 . 1 . . . . . 26 THR CA A 27727 1 74 . 1 . 1 26 26 THR N N 15 110.945 0.029 . 1 . . . . . 26 THR N A 27727 1 75 . 1 . 1 27 27 GLY H H 1 7.88 0.004 . 1 . . . . . 27 GLY H A 27727 1 76 . 1 . 1 27 27 GLY CA C 13 45.187 0.031 . 1 . . . . . 27 GLY CA A 27727 1 77 . 1 . 1 27 27 GLY N N 15 108.942 0.029 . 1 . . . . . 27 GLY N A 27727 1 78 . 1 . 1 28 28 ALA H H 1 7.541 0.004 . 1 . . . . . 28 ALA H A 27727 1 79 . 1 . 1 28 28 ALA CA C 13 50.054 0.031 . 1 . . . . . 28 ALA CA A 27727 1 80 . 1 . 1 28 28 ALA N N 15 126.373 0.029 . 1 . . . . . 28 ALA N A 27727 1 81 . 1 . 1 29 29 ASP H H 1 8.676 0.004 . 1 . . . . . 29 ASP H A 27727 1 82 . 1 . 1 29 29 ASP CA C 13 57.658 0.031 . 1 . . . . . 29 ASP CA A 27727 1 83 . 1 . 1 29 29 ASP N N 15 125.992 0.029 . 1 . . . . . 29 ASP N A 27727 1 84 . 1 . 1 30 30 ASP H H 1 7.587 0.004 . 1 . . . . . 30 ASP H A 27727 1 85 . 1 . 1 30 30 ASP CA C 13 52.955 0.031 . 1 . . . . . 30 ASP CA A 27727 1 86 . 1 . 1 30 30 ASP N N 15 115.797 0.029 . 1 . . . . . 30 ASP N A 27727 1 87 . 1 . 1 31 31 THR H H 1 8.249 0.004 . 1 . . . . . 31 THR H A 27727 1 88 . 1 . 1 31 31 THR CA C 13 63.072 0.031 . 1 . . . . . 31 THR CA A 27727 1 89 . 1 . 1 31 31 THR N N 15 117.092 0.029 . 1 . . . . . 31 THR N A 27727 1 90 . 1 . 1 32 32 VAL H H 1 8.258 0.004 . 1 . . . . . 32 VAL H A 27727 1 91 . 1 . 1 32 32 VAL CA C 13 60.111 0.031 . 1 . . . . . 32 VAL CA A 27727 1 92 . 1 . 1 32 32 VAL N N 15 128.133 0.029 . 1 . . . . . 32 VAL N A 27727 1 93 . 1 . 1 33 33 ILE H H 1 9.222 0.004 . 1 . . . . . 33 ILE H A 27727 1 94 . 1 . 1 33 33 ILE CA C 13 57.196 0.031 . 1 . . . . . 33 ILE CA A 27727 1 95 . 1 . 1 33 33 ILE N N 15 125.441 0.029 . 1 . . . . . 33 ILE N A 27727 1 96 . 1 . 1 34 34 GLU H H 1 8.054 0.004 . 1 . . . . . 34 GLU H A 27727 1 97 . 1 . 1 34 34 GLU CA C 13 55.231 0.031 . 1 . . . . . 34 GLU CA A 27727 1 98 . 1 . 1 34 34 GLU N N 15 119.802 0.029 . 1 . . . . . 34 GLU N A 27727 1 99 . 1 . 1 35 35 GLU H H 1 7.539 0.004 . 1 . . . . . 35 GLU H A 27727 1 100 . 1 . 1 35 35 GLU CA C 13 58.154 0.031 . 1 . . . . . 35 GLU CA A 27727 1 101 . 1 . 1 35 35 GLU N N 15 115.114 0.029 . 1 . . . . . 35 GLU N A 27727 1 102 . 1 . 1 36 36 MET H H 1 7.018 0.004 . 1 . . . . . 36 MET H A 27727 1 103 . 1 . 1 36 36 MET CA C 13 54.638 0.031 . 1 . . . . . 36 MET CA A 27727 1 104 . 1 . 1 36 36 MET N N 15 120.443 0.029 . 1 . . . . . 36 MET N A 27727 1 105 . 1 . 1 37 37 ASN H H 1 8.635 0.004 . 6 . . . . . 37 ASN H . 27727 1 106 . 1 . 1 37 37 ASN CA C 13 52.633 0.031 . 6 . . . . . 37 ASN CA . 27727 1 107 . 1 . 1 37 37 ASN N N 15 118.819 0.029 . 6 . . . . . 37 ASN N . 27727 1 108 . 1 . 1 38 38 LEU H H 1 7.268 0.004 . 6 . . . . . 38 LEU H . 27727 1 109 . 1 . 1 38 38 LEU CA C 13 51.848 0.031 . 6 . . . . . 38 LEU CA . 27727 1 110 . 1 . 1 38 38 LEU N N 15 124.558 0.029 . 6 . . . . . 38 LEU N . 27727 1 111 . 1 . 1 39 39 PRO CA C 13 62.655 0.031 . 6 . . . . . 39 PRO CA . 27727 1 112 . 1 . 1 40 40 GLY H H 1 8.368 0.004 . 6 . . . . . 40 GLY H . 27727 1 113 . 1 . 1 40 40 GLY CA C 13 44.305 0.031 . 6 . . . . . 40 GLY CA . 27727 1 114 . 1 . 1 40 40 GLY N N 15 106.113 0.029 . 6 . . . . . 40 GLY N . 27727 1 115 . 1 . 1 41 41 LYS H H 1 8.392 0.004 . 6 . . . . . 41 LYS H . 27727 1 116 . 1 . 1 41 41 LYS CA C 13 56.206 0.031 . 6 . . . . . 41 LYS CA . 27727 1 117 . 1 . 1 41 41 LYS N N 15 119.199 0.029 . 6 . . . . . 41 LYS N . 27727 1 118 . 1 . 1 42 42 TRP H H 1 7.411 0.004 . 6 . . . . . 42 TRP H . 27727 1 119 . 1 . 1 42 42 TRP CA C 13 53.867 0.031 . 6 . . . . . 42 TRP CA . 27727 1 120 . 1 . 1 42 42 TRP N N 15 118.48 0.029 . 6 . . . . . 42 TRP N . 27727 1 121 . 1 . 1 43 43 LYS H H 1 8.42 0.004 . 6 . . . . . 43 LYS H . 27727 1 122 . 1 . 1 43 43 LYS CA C 13 52.914 0.031 . 6 . . . . . 43 LYS CA . 27727 1 123 . 1 . 1 43 43 LYS N N 15 118.062 0.029 . 6 . . . . . 43 LYS N . 27727 1 124 . 1 . 1 44 44 PRO CA C 13 62.912 0.031 . 6 . . . . . 44 PRO CA . 27727 1 125 . 1 . 1 45 45 LYS H H 1 8.515 0.004 . 1 . . . . . 45 LYS H A 27727 1 126 . 1 . 1 45 45 LYS CA C 13 55.569 0.031 . 1 . . . . . 45 LYS CA A 27727 1 127 . 1 . 1 45 45 LYS N N 15 121.909 0.029 . 1 . . . . . 45 LYS N A 27727 1 128 . 1 . 1 46 46 MET H H 1 8.443 0.004 . 1 . . . . . 46 MET H A 27727 1 129 . 1 . 1 46 46 MET CA C 13 54.022 0.031 . 1 . . . . . 46 MET CA A 27727 1 130 . 1 . 1 46 46 MET N N 15 122.801 0.029 . 1 . . . . . 46 MET N A 27727 1 131 . 1 . 1 47 47 ILE H H 1 8.722 0.004 . 1 . . . . . 47 ILE H A 27727 1 132 . 1 . 1 47 47 ILE CA C 13 59.011 0.031 . 1 . . . . . 47 ILE CA A 27727 1 133 . 1 . 1 47 47 ILE N N 15 117.43 0.029 . 1 . . . . . 47 ILE N A 27727 1 134 . 1 . 1 48 48 VAL H H 1 8.022 0.004 . 1 . . . . . 48 VAL H A 27727 1 135 . 1 . 1 48 48 VAL CA C 13 60.749 0.031 . 1 . . . . . 48 VAL CA A 27727 1 136 . 1 . 1 48 48 VAL N N 15 121.376 0.029 . 1 . . . . . 48 VAL N A 27727 1 137 . 1 . 1 49 49 GLY H H 1 7.677 0.004 . 1 . . . . . 49 GLY H A 27727 1 138 . 1 . 1 49 49 GLY CA C 13 43.474 0.031 . 1 . . . . . 49 GLY CA A 27727 1 139 . 1 . 1 49 49 GLY N N 15 109.096 0.029 . 1 . . . . . 49 GLY N A 27727 1 140 . 1 . 1 50 50 ILE H H 1 8.852 0.004 . 1 . . . . . 50 ILE H A 27727 1 141 . 1 . 1 50 50 ILE CA C 13 64.479 0.031 . 1 . . . . . 50 ILE CA A 27727 1 142 . 1 . 1 50 50 ILE N N 15 121.38 0.029 . 1 . . . . . 50 ILE N A 27727 1 143 . 1 . 1 51 51 GLY H H 1 7.975 0.004 . 1 . . . . . 51 GLY H A 27727 1 144 . 1 . 1 51 51 GLY CA C 13 43.673 0.031 . 1 . . . . . 51 GLY CA A 27727 1 145 . 1 . 1 51 51 GLY N N 15 103.338 0.029 . 1 . . . . . 51 GLY N A 27727 1 146 . 1 . 1 52 52 GLY H H 1 7.033 0.004 . 1 . . . . . 52 GLY H A 27727 1 147 . 1 . 1 52 52 GLY CA C 13 44.309 0.031 . 1 . . . . . 52 GLY CA A 27727 1 148 . 1 . 1 52 52 GLY N N 15 106.687 0.029 . 1 . . . . . 52 GLY N A 27727 1 149 . 1 . 1 53 53 PHE H H 1 8.237 0.004 . 1 . . . . . 53 PHE H A 27727 1 150 . 1 . 1 53 53 PHE CA C 13 56.389 0.031 . 1 . . . . . 53 PHE CA A 27727 1 151 . 1 . 1 53 53 PHE N N 15 118.556 0.029 . 1 . . . . . 53 PHE N A 27727 1 152 . 1 . 1 54 54 ILE H H 1 8.889 0.004 . 1 . . . . . 54 ILE H A 27727 1 153 . 1 . 1 54 54 ILE CA C 13 59.997 0.031 . 1 . . . . . 54 ILE CA A 27727 1 154 . 1 . 1 54 54 ILE N N 15 112.495 0.029 . 1 . . . . . 54 ILE N A 27727 1 155 . 1 . 1 55 55 LYS H H 1 8.379 0.004 . 1 . . . . . 55 LYS H A 27727 1 156 . 1 . 1 55 55 LYS CA C 13 55.936 0.031 . 1 . . . . . 55 LYS CA A 27727 1 157 . 1 . 1 55 55 LYS N N 15 122.956 0.029 . 1 . . . . . 55 LYS N A 27727 1 158 . 1 . 1 56 56 VAL H H 1 8.974 0.004 . 1 . . . . . 56 VAL H A 27727 1 159 . 1 . 1 56 56 VAL CA C 13 58.059 0.031 . 1 . . . . . 56 VAL CA A 27727 1 160 . 1 . 1 56 56 VAL N N 15 115.317 0.029 . 1 . . . . . 56 VAL N A 27727 1 161 . 1 . 1 57 57 ARG H H 1 8.751 0.004 . 1 . . . . . 57 ARG H A 27727 1 162 . 1 . 1 57 57 ARG CA C 13 55.724 0.031 . 1 . . . . . 57 ARG CA A 27727 1 163 . 1 . 1 57 57 ARG N N 15 118.855 0.029 . 1 . . . . . 57 ARG N A 27727 1 164 . 1 . 1 58 58 GLN H H 1 9.654 0.004 . 1 . . . . . 58 GLN H A 27727 1 165 . 1 . 1 58 58 GLN CA C 13 55.74 0.031 . 1 . . . . . 58 GLN CA A 27727 1 166 . 1 . 1 58 58 GLN N N 15 123.792 0.029 . 1 . . . . . 58 GLN N A 27727 1 167 . 1 . 1 59 59 TYR H H 1 9.181 0.004 . 1 . . . . . 59 TYR H A 27727 1 168 . 1 . 1 59 59 TYR CA C 13 57.295 0.031 . 1 . . . . . 59 TYR CA A 27727 1 169 . 1 . 1 59 59 TYR N N 15 129.111 0.029 . 1 . . . . . 59 TYR N A 27727 1 170 . 1 . 1 60 60 ASP H H 1 8.875 0.004 . 1 . . . . . 60 ASP H A 27727 1 171 . 1 . 1 60 60 ASP CA C 13 53.773 0.031 . 1 . . . . . 60 ASP CA A 27727 1 172 . 1 . 1 60 60 ASP N N 15 121.182 0.029 . 1 . . . . . 60 ASP N A 27727 1 173 . 1 . 1 61 61 GLN H H 1 8.983 0.004 . 1 . . . . . 61 GLN H A 27727 1 174 . 1 . 1 61 61 GLN CA C 13 56.276 0.031 . 1 . . . . . 61 GLN CA A 27727 1 175 . 1 . 1 61 61 GLN N N 15 114.155 0.029 . 1 . . . . . 61 GLN N A 27727 1 176 . 1 . 1 62 62 ILE H H 1 8.762 0.004 . 1 . . . . . 62 ILE H A 27727 1 177 . 1 . 1 62 62 ILE CA C 13 55.258 0.031 . 1 . . . . . 62 ILE CA A 27727 1 178 . 1 . 1 62 62 ILE N N 15 122.218 0.029 . 1 . . . . . 62 ILE N A 27727 1 179 . 1 . 1 63 63 PRO CA C 13 61.862 0.031 . 6 . . . . . 63 PRO CA . 27727 1 180 . 1 . 1 64 64 ILE CA C 13 59.443 0.031 . 6 . . . . . 64 ILE CA . 27727 1 181 . 1 . 1 65 65 GLU CA C 13 54.201 0.031 . 6 . . . . . 65 GLU CA . 27727 1 182 . 1 . 1 66 66 ILE H H 1 9.167 0.004 . 6 . . . . . 66 ILE H . 27727 1 183 . 1 . 1 66 66 ILE CA C 13 60.316 0.031 . 6 . . . . . 66 ILE CA . 27727 1 184 . 1 . 1 66 66 ILE N N 15 125.074 0.029 . 6 . . . . . 66 ILE N . 27727 1 185 . 1 . 1 67 67 ALA H H 1 9.02 0.004 . 6 . . . . . 67 ALA H . 27727 1 186 . 1 . 1 67 67 ALA CA C 13 53.324 0.031 . 6 . . . . . 67 ALA CA . 27727 1 187 . 1 . 1 67 67 ALA N N 15 131.05 0.029 . 6 . . . . . 67 ALA N . 27727 1 188 . 1 . 1 68 68 GLY H H 1 8.686 0.004 . 6 . . . . . 68 GLY H . 27727 1 189 . 1 . 1 68 68 GLY CA C 13 45.407 0.031 . 6 . . . . . 68 GLY CA . 27727 1 190 . 1 . 1 68 68 GLY N N 15 103.017 0.029 . 6 . . . . . 68 GLY N . 27727 1 191 . 1 . 1 69 69 HIS H H 1 8.298 0.004 . 6 . . . . . 69 HIS H . 27727 1 192 . 1 . 1 69 69 HIS CA C 13 54.529 0.031 . 6 . . . . . 69 HIS CA . 27727 1 193 . 1 . 1 69 69 HIS N N 15 119.485 0.029 . 6 . . . . . 69 HIS N . 27727 1 194 . 1 . 1 70 70 LYS H H 1 8.978 0.004 . 6 . . . . . 70 LYS H . 27727 1 195 . 1 . 1 70 70 LYS CA C 13 57.639 0.031 . 6 . . . . . 70 LYS CA . 27727 1 196 . 1 . 1 70 70 LYS N N 15 125.474 0.029 . 6 . . . . . 70 LYS N . 27727 1 197 . 1 . 1 71 71 ALA H H 1 8.806 0.004 . 6 . . . . . 71 ALA H . 27727 1 198 . 1 . 1 71 71 ALA CA C 13 50.763 0.031 . 6 . . . . . 71 ALA CA . 27727 1 199 . 1 . 1 71 71 ALA N N 15 126.395 0.029 . 6 . . . . . 71 ALA N . 27727 1 200 . 1 . 1 72 72 ILE H H 1 8.467 0.004 . 6 . . . . . 72 ILE H . 27727 1 201 . 1 . 1 72 72 ILE CA C 13 59.998 0.031 . 6 . . . . . 72 ILE CA . 27727 1 202 . 1 . 1 72 72 ILE N N 15 119.368 0.029 . 6 . . . . . 72 ILE N . 27727 1 203 . 1 . 1 73 73 GLY H H 1 8.461 0.004 . 6 . . . . . 73 GLY H . 27727 1 204 . 1 . 1 73 73 GLY CA C 13 46.012 0.031 . 6 . . . . . 73 GLY CA . 27727 1 205 . 1 . 1 73 73 GLY N N 15 112.237 0.029 . 6 . . . . . 73 GLY N . 27727 1 206 . 1 . 1 74 74 THR H H 1 8.707 0.004 . 6 . . . . . 74 THR H . 27727 1 207 . 1 . 1 74 74 THR CA C 13 63.381 0.031 . 6 . . . . . 74 THR CA . 27727 1 208 . 1 . 1 74 74 THR N N 15 118.477 0.029 . 6 . . . . . 74 THR N . 27727 1 209 . 1 . 1 75 75 VAL H H 1 9.245 0.004 . 6 . . . . . 75 VAL H . 27727 1 210 . 1 . 1 75 75 VAL CA C 13 61.443 0.031 . 6 . . . . . 75 VAL CA . 27727 1 211 . 1 . 1 75 75 VAL N N 15 126.875 0.029 . 6 . . . . . 75 VAL N . 27727 1 212 . 1 . 1 76 76 LEU H H 1 8.246 0.004 . 6 . . . . . 76 LEU H . 27727 1 213 . 1 . 1 76 76 LEU CA C 13 52.3 0.031 . 6 . . . . . 76 LEU CA . 27727 1 214 . 1 . 1 76 76 LEU N N 15 125.142 0.029 . 6 . . . . . 76 LEU N . 27727 1 215 . 1 . 1 77 77 VAL H H 1 9.091 0.004 . 6 . . . . . 77 VAL H . 27727 1 216 . 1 . 1 77 77 VAL CA C 13 59.855 0.031 . 6 . . . . . 77 VAL CA . 27727 1 217 . 1 . 1 77 77 VAL N N 15 121.721 0.029 . 6 . . . . . 77 VAL N . 27727 1 218 . 1 . 1 78 78 GLY H H 1 8.863 0.004 . 6 . . . . . 78 GLY H . 27727 1 219 . 1 . 1 78 78 GLY CA C 13 45.765 0.031 . 6 . . . . . 78 GLY CA . 27727 1 220 . 1 . 1 78 78 GLY N N 15 113.242 0.029 . 6 . . . . . 78 GLY N . 27727 1 221 . 1 . 1 79 79 PRO CA C 13 62.977 0.031 . 6 . . . . . 79 PRO CA . 27727 1 222 . 1 . 1 80 80 THR H H 1 8.332 0.004 . 6 . . . . . 80 THR H . 27727 1 223 . 1 . 1 80 80 THR CA C 13 56.44 0.031 . 6 . . . . . 80 THR CA . 27727 1 224 . 1 . 1 80 80 THR N N 15 118.119 0.029 . 6 . . . . . 80 THR N . 27727 1 225 . 1 . 1 81 81 PRO CA C 13 63.342 0.031 . 6 . . . . . 81 PRO CA . 27727 1 226 . 1 . 1 82 82 ALA H H 1 7.454 0.004 . 1 . . . . . 82 ALA H A 27727 1 227 . 1 . 1 82 82 ALA CA C 13 51.226 0.031 . 1 . . . . . 82 ALA CA A 27727 1 228 . 1 . 1 82 82 ALA N N 15 119.898 0.029 . 1 . . . . . 82 ALA N A 27727 1 229 . 1 . 1 83 83 ASN H H 1 8.763 0.004 . 1 . . . . . 83 ASN H A 27727 1 230 . 1 . 1 83 83 ASN CA C 13 53.433 0.031 . 1 . . . . . 83 ASN CA A 27727 1 231 . 1 . 1 83 83 ASN N N 15 121.611 0.029 . 1 . . . . . 83 ASN N A 27727 1 232 . 1 . 1 84 84 ILE H H 1 9.469 0.004 . 1 . . . . . 84 ILE H A 27727 1 233 . 1 . 1 84 84 ILE CA C 13 59.666 0.031 . 1 . . . . . 84 ILE CA A 27727 1 234 . 1 . 1 84 84 ILE N N 15 120.962 0.029 . 1 . . . . . 84 ILE N A 27727 1 235 . 1 . 1 85 85 ILE H H 1 8.801 0.004 . 1 . . . . . 85 ILE H A 27727 1 236 . 1 . 1 85 85 ILE CA C 13 57.819 0.031 . 1 . . . . . 85 ILE CA A 27727 1 237 . 1 . 1 85 85 ILE N N 15 122.022 0.029 . 1 . . . . . 85 ILE N A 27727 1 238 . 1 . 1 86 86 GLY H H 1 8.133 0.004 . 1 . . . . . 86 GLY H A 27727 1 239 . 1 . 1 86 86 GLY CA C 13 43.457 0.031 . 1 . . . . . 86 GLY CA A 27727 1 240 . 1 . 1 86 86 GLY N N 15 113.685 0.029 . 1 . . . . . 86 GLY N A 27727 1 241 . 1 . 1 87 87 ARG H H 1 9.36 0.004 . 1 . . . . . 87 ARG H A 27727 1 242 . 1 . 1 87 87 ARG CA C 13 61.26 0.031 . 1 . . . . . 87 ARG CA A 27727 1 243 . 1 . 1 87 87 ARG N N 15 116.745 0.029 . 1 . . . . . 87 ARG N A 27727 1 244 . 1 . 1 88 88 ASN H H 1 7.985 0.004 . 1 . . . . . 88 ASN H A 27727 1 245 . 1 . 1 88 88 ASN CA C 13 56.964 0.031 . 1 . . . . . 88 ASN CA A 27727 1 246 . 1 . 1 88 88 ASN N N 15 115.839 0.029 . 1 . . . . . 88 ASN N A 27727 1 247 . 1 . 1 89 89 LEU H H 1 6.901 0.004 . 1 . . . . . 89 LEU H A 27727 1 248 . 1 . 1 89 89 LEU CA C 13 55.193 0.031 . 1 . . . . . 89 LEU CA A 27727 1 249 . 1 . 1 89 89 LEU N N 15 116.506 0.029 . 1 . . . . . 89 LEU N A 27727 1 250 . 1 . 1 90 90 LEU H H 1 8.243 0.004 . 6 . . . . . 90 LEU H . 27727 1 251 . 1 . 1 90 90 LEU CA C 13 57.778 0.031 . 6 . . . . . 90 LEU CA . 27727 1 252 . 1 . 1 90 90 LEU N N 15 120.321 0.029 . 6 . . . . . 90 LEU N . 27727 1 253 . 1 . 1 91 91 THR H H 1 7.858 0.004 . 6 . . . . . 91 THR H . 27727 1 254 . 1 . 1 91 91 THR CA C 13 63.504 0.031 . 6 . . . . . 91 THR CA . 27727 1 255 . 1 . 1 91 91 THR N N 15 106.158 0.029 . 6 . . . . . 91 THR N . 27727 1 256 . 1 . 1 92 92 GLN H H 1 6.666 0.004 . 6 . . . . . 92 GLN H . 27727 1 257 . 1 . 1 92 92 GLN CA C 13 57.71 0.031 . 6 . . . . . 92 GLN CA . 27727 1 258 . 1 . 1 92 92 GLN N N 15 120.079 0.029 . 6 . . . . . 92 GLN N . 27727 1 259 . 1 . 1 93 93 ILE H H 1 6.921 0.004 . 6 . . . . . 93 ILE H . 27727 1 260 . 1 . 1 93 93 ILE CA C 13 60.438 0.031 . 6 . . . . . 93 ILE CA . 27727 1 261 . 1 . 1 93 93 ILE N N 15 108.563 0.029 . 6 . . . . . 93 ILE N . 27727 1 262 . 1 . 1 94 94 GLY H H 1 7.213 0.004 . 6 . . . . . 94 GLY H . 27727 1 263 . 1 . 1 94 94 GLY CA C 13 45.95 0.031 . 6 . . . . . 94 GLY CA . 27727 1 264 . 1 . 1 94 94 GLY N N 15 108.14 0.029 . 6 . . . . . 94 GLY N . 27727 1 265 . 1 . 1 95 95 ALA H H 1 7.507 0.004 . 6 . . . . . 95 ALA H . 27727 1 266 . 1 . 1 95 95 ALA CA C 13 51.486 0.031 . 6 . . . . . 95 ALA CA . 27727 1 267 . 1 . 1 95 95 ALA N N 15 120.398 0.029 . 6 . . . . . 95 ALA N . 27727 1 268 . 1 . 1 96 96 THR H H 1 9.001 0.004 . 6 . . . . . 96 THR H . 27727 1 269 . 1 . 1 96 96 THR CA C 13 59.398 0.031 . 6 . . . . . 96 THR CA . 27727 1 270 . 1 . 1 96 96 THR N N 15 108.981 0.029 . 6 . . . . . 96 THR N . 27727 1 271 . 1 . 1 97 97 LEU H H 1 8.553 0.004 . 6 . . . . . 97 LEU H . 27727 1 272 . 1 . 1 97 97 LEU CA C 13 53.348 0.031 . 6 . . . . . 97 LEU CA . 27727 1 273 . 1 . 1 97 97 LEU N N 15 121.278 0.029 . 6 . . . . . 97 LEU N . 27727 1 274 . 1 . 1 98 98 ASN H H 1 8.913 0.004 . 6 . . . . . 98 ASN H . 27727 1 275 . 1 . 1 98 98 ASN CA C 13 52.85 0.031 . 6 . . . . . 98 ASN CA . 27727 1 276 . 1 . 1 98 98 ASN N N 15 121.661 0.029 . 6 . . . . . 98 ASN N . 27727 1 277 . 1 . 1 99 99 PHE H H 1 8.012 0.004 . 6 . . . . . 99 PHE H . 27727 1 278 . 1 . 1 99 99 PHE CA C 13 58.912 0.031 . 6 . . . . . 99 PHE CA . 27727 1 279 . 1 . 1 99 99 PHE N N 15 122.077 0.029 . 6 . . . . . 99 PHE N . 27727 1 280 . 2 . 1 3 3 ILE H H 1 9.462 0.004 . 6 . . . . . 3 ILE H . 27727 1 281 . 2 . 1 3 3 ILE CA C 13 60.365 0.031 . 6 . . . . . 3 ILE CA . 27727 1 282 . 2 . 1 3 3 ILE N N 15 127.853 0.029 . 6 . . . . . 3 ILE N . 27727 1 283 . 2 . 1 4 4 THR CA C 13 60.992 0.031 . 6 . . . . . 4 THR CA . 27727 1 284 . 2 . 1 5 5 LEU H H 1 9.161 0.004 . 6 . . . . . 5 LEU H . 27727 1 285 . 2 . 1 5 5 LEU CA C 13 54.062 0.031 . 6 . . . . . 5 LEU CA . 27727 1 286 . 2 . 1 5 5 LEU N N 15 116.932 0.029 . 6 . . . . . 5 LEU N . 27727 1 287 . 2 . 1 7 7 LYS CA C 13 53.395 0.031 . 6 . . . . . 7 LYS CA . 27727 1 288 . 2 . 1 8 8 ARG H H 1 8.801 0.004 . 6 . . . . . 8 ARG H . 27727 1 289 . 2 . 1 8 8 ARG CA C 13 56.12 0.031 . 6 . . . . . 8 ARG CA . 27727 1 290 . 2 . 1 8 8 ARG N N 15 121.119 0.029 . 6 . . . . . 8 ARG N . 27727 1 291 . 2 . 1 10 10 ILE H H 1 7.606 0.004 . 6 . . . . . 10 ILE H . 27727 1 292 . 2 . 1 10 10 ILE N N 15 127.092 0.029 . 6 . . . . . 10 ILE N . 27727 1 293 . 2 . 1 11 11 VAL H H 1 9.09 0.004 . 6 . . . . . 11 VAL H . 27727 1 294 . 2 . 1 11 11 VAL CA C 13 58.453 0.031 . 6 . . . . . 11 VAL CA . 27727 1 295 . 2 . 1 11 11 VAL N N 15 120.115 0.029 . 6 . . . . . 11 VAL N . 27727 1 296 . 2 . 1 12 12 THR H H 1 8.475 0.004 . 6 . . . . . 12 THR H . 27727 1 297 . 2 . 1 12 12 THR CA C 13 62.753 0.031 . 6 . . . . . 12 THR CA . 27727 1 298 . 2 . 1 12 12 THR N N 15 116.246 0.029 . 6 . . . . . 12 THR N . 27727 1 299 . 2 . 1 13 13 ILE H H 1 9.27 0.004 . 6 . . . . . 13 ILE H . 27727 1 300 . 2 . 1 13 13 ILE N N 15 120.921 0.029 . 6 . . . . . 13 ILE N . 27727 1 301 . 2 . 1 15 15 ILE H H 1 8.947 0.004 . 6 . . . . . 15 ILE H . 27727 1 302 . 2 . 1 15 15 ILE N N 15 124.926 0.029 . 6 . . . . . 15 ILE N . 27727 1 303 . 2 . 1 17 17 GLY CA C 13 45.004 0.031 . 6 . . . . . 17 GLY CA . 27727 1 304 . 2 . 1 18 18 GLN H H 1 8.039 0.004 . 6 . . . . . 18 GLN H . 27727 1 305 . 2 . 1 18 18 GLN CA C 13 54.34 0.031 . 6 . . . . . 18 GLN CA . 27727 1 306 . 2 . 1 18 18 GLN N N 15 120.000 0.029 . 6 . . . . . 18 GLN N . 27727 1 307 . 2 . 1 22 22 ALA H H 1 9.222 0.004 . 1 . . . . . 22 ALA H B 27727 1 308 . 2 . 1 22 22 ALA CA C 13 50.863 0.031 . 1 . . . . . 22 ALA CA B 27727 1 309 . 2 . 1 22 22 ALA N N 15 123.575 0.029 . 1 . . . . . 22 ALA N B 27727 1 310 . 2 . 1 23 23 LEU H H 1 8.53 0.004 . 1 . . . . . 23 LEU H B 27727 1 311 . 2 . 1 23 23 LEU CA C 13 53.695 0.031 . 1 . . . . . 23 LEU CA B 27727 1 312 . 2 . 1 23 23 LEU N N 15 119.909 0.029 . 1 . . . . . 23 LEU N B 27727 1 313 . 2 . 1 24 24 LEU H H 1 8.323 0.004 . 1 . . . . . 24 LEU H B 27727 1 314 . 2 . 1 24 24 LEU CA C 13 54.696 0.031 . 1 . . . . . 24 LEU CA B 27727 1 315 . 2 . 1 24 24 LEU N N 15 121.889 0.029 . 1 . . . . . 24 LEU N B 27727 1 316 . 2 . 1 25 25 ASP H H 1 8.751 0.004 . 1 . . . . . 25 ASP H B 27727 1 317 . 2 . 1 25 25 ASP CA C 13 53.085 0.031 . 1 . . . . . 25 ASP CA B 27727 1 318 . 2 . 1 25 25 ASP N N 15 126.919 0.029 . 1 . . . . . 25 ASP N B 27727 1 319 . 2 . 1 26 26 THR H H 1 8.405 0.004 . 1 . . . . . 26 THR H B 27727 1 320 . 2 . 1 26 26 THR CA C 13 64.644 0.031 . 1 . . . . . 26 THR CA B 27727 1 321 . 2 . 1 26 26 THR N N 15 112.724 0.029 . 1 . . . . . 26 THR N B 27727 1 322 . 2 . 1 27 27 GLY H H 1 9.39 0.004 . 1 . . . . . 27 GLY H B 27727 1 323 . 2 . 1 27 27 GLY CA C 13 44.982 0.031 . 1 . . . . . 27 GLY CA B 27727 1 324 . 2 . 1 27 27 GLY N N 15 109.141 0.029 . 1 . . . . . 27 GLY N B 27727 1 325 . 2 . 1 28 28 ALA H H 1 6.898 0.004 . 1 . . . . . 28 ALA H B 27727 1 326 . 2 . 1 28 28 ALA CA C 13 49.142 0.031 . 1 . . . . . 28 ALA CA B 27727 1 327 . 2 . 1 28 28 ALA N N 15 124.333 0.029 . 1 . . . . . 28 ALA N B 27727 1 328 . 2 . 1 29 29 ASP H H 1 8.307 0.004 . 1 . . . . . 29 ASP H B 27727 1 329 . 2 . 1 29 29 ASP CA C 13 58.235 0.031 . 1 . . . . . 29 ASP CA B 27727 1 330 . 2 . 1 29 29 ASP N N 15 123.926 0.029 . 1 . . . . . 29 ASP N B 27727 1 331 . 2 . 1 30 30 ASP H H 1 7.285 0.004 . 1 . . . . . 30 ASP H B 27727 1 332 . 2 . 1 30 30 ASP CA C 13 52.411 0.031 . 1 . . . . . 30 ASP CA B 27727 1 333 . 2 . 1 30 30 ASP N N 15 113.367 0.029 . 1 . . . . . 30 ASP N B 27727 1 334 . 2 . 1 31 31 THR H H 1 7.77 0.004 . 1 . . . . . 31 THR H B 27727 1 335 . 2 . 1 31 31 THR CA C 13 63.766 0.031 . 1 . . . . . 31 THR CA B 27727 1 336 . 2 . 1 31 31 THR N N 15 119.368 0.029 . 1 . . . . . 31 THR N B 27727 1 337 . 2 . 1 32 32 VAL H H 1 9.13 0.004 . 1 . . . . . 32 VAL H B 27727 1 338 . 2 . 1 32 32 VAL CA C 13 59.303 0.031 . 1 . . . . . 32 VAL CA B 27727 1 339 . 2 . 1 32 32 VAL N N 15 128.017 0.029 . 1 . . . . . 32 VAL N B 27727 1 340 . 2 . 1 33 33 ILE H H 1 9.197 0.004 . 1 . . . . . 33 ILE H B 27727 1 341 . 2 . 1 33 33 ILE CA C 13 57.088 0.031 . 1 . . . . . 33 ILE CA B 27727 1 342 . 2 . 1 33 33 ILE N N 15 125.861 0.029 . 1 . . . . . 33 ILE N B 27727 1 343 . 2 . 1 34 34 GLU H H 1 7.936 0.004 . 1 . . . . . 34 GLU H B 27727 1 344 . 2 . 1 34 34 GLU CA C 13 55.248 0.031 . 1 . . . . . 34 GLU CA B 27727 1 345 . 2 . 1 34 34 GLU N N 15 119.724 0.029 . 1 . . . . . 34 GLU N B 27727 1 346 . 2 . 1 35 35 GLU H H 1 7.151 0.004 . 1 . . . . . 35 GLU H B 27727 1 347 . 2 . 1 35 35 GLU CA C 13 58.292 0.031 . 1 . . . . . 35 GLU CA B 27727 1 348 . 2 . 1 35 35 GLU N N 15 115.218 0.029 . 1 . . . . . 35 GLU N B 27727 1 349 . 2 . 1 36 36 MET H H 1 6.957 0.004 . 1 . . . . . 36 MET H B 27727 1 350 . 2 . 1 36 36 MET CA C 13 54.642 0.031 . 1 . . . . . 36 MET CA B 27727 1 351 . 2 . 1 36 36 MET N N 15 120.605 0.029 . 1 . . . . . 36 MET N B 27727 1 352 . 2 . 1 37 37 ASN H H 1 8.618 0.004 . 6 . . . . . 37 ASN H . 27727 1 353 . 2 . 1 37 37 ASN CA C 13 52.626 0.031 . 6 . . . . . 37 ASN CA . 27727 1 354 . 2 . 1 37 37 ASN N N 15 118.716 0.029 . 6 . . . . . 37 ASN N . 27727 1 355 . 2 . 1 38 38 LEU H H 1 7.415 0.004 . 6 . . . . . 38 LEU H . 27727 1 356 . 2 . 1 38 38 LEU CA C 13 51.75 0.031 . 6 . . . . . 38 LEU CA . 27727 1 357 . 2 . 1 38 38 LEU N N 15 124.903 0.029 . 6 . . . . . 38 LEU N . 27727 1 358 . 2 . 1 39 39 PRO CA C 13 62.661 0.031 . 6 . . . . . 39 PRO CA . 27727 1 359 . 2 . 1 40 40 GLY H H 1 8.37 0.004 . 6 . . . . . 40 GLY H . 27727 1 360 . 2 . 1 40 40 GLY CA C 13 44.305 0.031 . 6 . . . . . 40 GLY CA . 27727 1 361 . 2 . 1 40 40 GLY N N 15 106.005 0.029 . 6 . . . . . 40 GLY N . 27727 1 362 . 2 . 1 41 41 LYS H H 1 8.395 0.004 . 6 . . . . . 41 LYS H . 27727 1 363 . 2 . 1 41 41 LYS CA C 13 56.167 0.031 . 6 . . . . . 41 LYS CA . 27727 1 364 . 2 . 1 41 41 LYS N N 15 119.319 0.029 . 6 . . . . . 41 LYS N . 27727 1 365 . 2 . 1 42 42 TRP H H 1 7.376 0.004 . 6 . . . . . 42 TRP H . 27727 1 366 . 2 . 1 42 42 TRP CA C 13 53.711 0.031 . 6 . . . . . 42 TRP CA . 27727 1 367 . 2 . 1 42 42 TRP N N 15 117.639 0.029 . 6 . . . . . 42 TRP N . 27727 1 368 . 2 . 1 43 43 LYS H H 1 8.228 0.004 . 6 . . . . . 43 LYS H . 27727 1 369 . 2 . 1 43 43 LYS CA C 13 52.827 0.031 . 6 . . . . . 43 LYS CA . 27727 1 370 . 2 . 1 43 43 LYS N N 15 117.839 0.029 . 6 . . . . . 43 LYS N . 27727 1 371 . 2 . 1 44 44 PRO CA C 13 63.087 0.031 . 6 . . . . . 44 PRO CA . 27727 1 372 . 2 . 1 45 45 LYS H H 1 8.60 0.004 . 1 . . . . . 45 LYS H B 27727 1 373 . 2 . 1 45 45 LYS CA C 13 55.197 0.031 . 1 . . . . . 45 LYS CA B 27727 1 374 . 2 . 1 45 45 LYS N N 15 121.799 0.029 . 1 . . . . . 45 LYS N B 27727 1 375 . 2 . 1 46 46 MET H H 1 8.38 0.004 . 1 . . . . . 46 MET H B 27727 1 376 . 2 . 1 46 46 MET CA C 13 54.514 0.031 . 1 . . . . . 46 MET CA B 27727 1 377 . 2 . 1 46 46 MET N N 15 121.261 0.029 . 1 . . . . . 46 MET N B 27727 1 378 . 2 . 1 47 47 ILE H H 1 8.608 0.004 . 1 . . . . . 47 ILE H B 27727 1 379 . 2 . 1 47 47 ILE N N 15 118.766 0.029 . 1 . . . . . 47 ILE N B 27727 1 380 . 2 . 1 48 48 VAL H H 1 8.356 0.004 . 1 . . . . . 48 VAL H B 27727 1 381 . 2 . 1 48 48 VAL CA C 13 61.162 0.031 . 1 . . . . . 48 VAL CA B 27727 1 382 . 2 . 1 48 48 VAL N N 15 122.805 0.029 . 1 . . . . . 48 VAL N B 27727 1 383 . 2 . 1 49 49 GLY H H 1 7.963 0.004 . 1 . . . . . 49 GLY H B 27727 1 384 . 2 . 1 49 49 GLY CA C 13 45.1 0.031 . 1 . . . . . 49 GLY CA B 27727 1 385 . 2 . 1 49 49 GLY N N 15 112.202 0.029 . 1 . . . . . 49 GLY N B 27727 1 386 . 2 . 1 50 50 ILE H H 1 8.241 0.004 . 1 . . . . . 50 ILE H B 27727 1 387 . 2 . 1 50 50 ILE CA C 13 64.822 0.031 . 1 . . . . . 50 ILE CA B 27727 1 388 . 2 . 1 50 50 ILE N N 15 123.816 0.029 . 1 . . . . . 50 ILE N B 27727 1 389 . 2 . 1 52 52 GLY H H 1 7.254 0.004 . 1 . . . . . 52 GLY H B 27727 1 390 . 2 . 1 52 52 GLY CA C 13 44.544 0.031 . 1 . . . . . 52 GLY CA B 27727 1 391 . 2 . 1 52 52 GLY N N 15 105.1 0.029 . 1 . . . . . 52 GLY N B 27727 1 392 . 2 . 1 53 53 PHE H H 1 7.931 0.004 . 1 . . . . . 53 PHE H B 27727 1 393 . 2 . 1 53 53 PHE CA C 13 54.896 0.031 . 1 . . . . . 53 PHE CA B 27727 1 394 . 2 . 1 53 53 PHE N N 15 118.106 0.029 . 1 . . . . . 53 PHE N B 27727 1 395 . 2 . 1 54 54 ILE H H 1 8.638 0.004 . 1 . . . . . 54 ILE H B 27727 1 396 . 2 . 1 54 54 ILE CA C 13 59.98 0.031 . 1 . . . . . 54 ILE CA B 27727 1 397 . 2 . 1 54 54 ILE N N 15 111.936 0.029 . 1 . . . . . 54 ILE N B 27727 1 398 . 2 . 1 55 55 LYS H H 1 8.549 0.004 . 1 . . . . . 55 LYS H B 27727 1 399 . 2 . 1 55 55 LYS CA C 13 56.196 0.031 . 1 . . . . . 55 LYS CA B 27727 1 400 . 2 . 1 55 55 LYS N N 15 123.828 0.029 . 1 . . . . . 55 LYS N B 27727 1 401 . 2 . 1 56 56 VAL H H 1 8.771 0.004 . 1 . . . . . 56 VAL H B 27727 1 402 . 2 . 1 56 56 VAL CA C 13 57.981 0.031 . 1 . . . . . 56 VAL CA B 27727 1 403 . 2 . 1 56 56 VAL N N 15 114.732 0.029 . 1 . . . . . 56 VAL N B 27727 1 404 . 2 . 1 57 57 ARG H H 1 9.094 0.004 . 1 . . . . . 57 ARG H B 27727 1 405 . 2 . 1 57 57 ARG CA C 13 55.301 0.031 . 1 . . . . . 57 ARG CA B 27727 1 406 . 2 . 1 57 57 ARG N N 15 119.761 0.029 . 1 . . . . . 57 ARG N B 27727 1 407 . 2 . 1 58 58 GLN H H 1 9.76 0.004 . 1 . . . . . 58 GLN H B 27727 1 408 . 2 . 1 58 58 GLN CA C 13 56.054 0.031 . 1 . . . . . 58 GLN CA B 27727 1 409 . 2 . 1 58 58 GLN N N 15 123.552 0.029 . 1 . . . . . 58 GLN N B 27727 1 410 . 2 . 1 59 59 TYR CA C 13 57.455 0.031 . 1 . . . . . 59 TYR CA B 27727 1 411 . 2 . 1 60 60 ASP H H 1 8.968 0.004 . 1 . . . . . 60 ASP H B 27727 1 412 . 2 . 1 60 60 ASP CA C 13 53.669 0.031 . 1 . . . . . 60 ASP CA B 27727 1 413 . 2 . 1 60 60 ASP N N 15 120.589 0.029 . 1 . . . . . 60 ASP N B 27727 1 414 . 2 . 1 61 61 GLN H H 1 8.919 0.004 . 1 . . . . . 61 GLN H B 27727 1 415 . 2 . 1 61 61 GLN CA C 13 56.252 0.031 . 1 . . . . . 61 GLN CA B 27727 1 416 . 2 . 1 61 61 GLN N N 15 113.99 0.029 . 1 . . . . . 61 GLN N B 27727 1 417 . 2 . 1 62 62 ILE H H 1 8.742 0.004 . 1 . . . . . 62 ILE H B 27727 1 418 . 2 . 1 62 62 ILE CA C 13 55.229 0.031 . 1 . . . . . 62 ILE CA B 27727 1 419 . 2 . 1 62 62 ILE N N 15 122.372 0.029 . 1 . . . . . 62 ILE N B 27727 1 420 . 2 . 1 63 63 PRO CA C 13 61.873 0.031 . 6 . . . . . 63 PRO CA . 27727 1 421 . 2 . 1 64 64 ILE H H 1 8.879 0.004 . 6 . . . . . 64 ILE H . 27727 1 422 . 2 . 1 64 64 ILE CA C 13 59.159 0.031 . 6 . . . . . 64 ILE CA . 27727 1 423 . 2 . 1 64 64 ILE N N 15 123.836 0.029 . 6 . . . . . 64 ILE N . 27727 1 424 . 2 . 1 65 65 GLU H H 1 8.282 0.004 . 6 . . . . . 65 GLU H . 27727 1 425 . 2 . 1 65 65 GLU N N 15 125.462 0.029 . 6 . . . . . 65 GLU N . 27727 1 426 . 2 . 1 66 66 ILE H H 1 9.139 0.004 . 6 . . . . . 66 ILE H . 27727 1 427 . 2 . 1 66 66 ILE N N 15 124.998 0.029 . 6 . . . . . 66 ILE N . 27727 1 428 . 2 . 1 68 68 GLY H H 1 8.665 0.004 . 6 . . . . . 68 GLY H . 27727 1 429 . 2 . 1 68 68 GLY N N 15 102.995 0.029 . 6 . . . . . 68 GLY N . 27727 1 430 . 2 . 1 71 71 ALA CA C 13 50.725 0.031 . 6 . . . . . 71 ALA CA . 27727 1 431 . 2 . 1 72 72 ILE H H 1 8.442 0.004 . 6 . . . . . 72 ILE H . 27727 1 432 . 2 . 1 72 72 ILE CA C 13 59.977 0.031 . 6 . . . . . 72 ILE CA . 27727 1 433 . 2 . 1 72 72 ILE N N 15 119.564 0.029 . 6 . . . . . 72 ILE N . 27727 1 434 . 2 . 1 73 73 GLY H H 1 8.46 0.004 . 6 . . . . . 73 GLY H . 27727 1 435 . 2 . 1 73 73 GLY CA C 13 46.031 0.031 . 6 . . . . . 73 GLY CA . 27727 1 436 . 2 . 1 73 73 GLY N N 15 112.458 0.029 . 6 . . . . . 73 GLY N . 27727 1 437 . 2 . 1 74 74 THR H H 1 8.612 0.004 . 6 . . . . . 74 THR H . 27727 1 438 . 2 . 1 74 74 THR CA C 13 63.712 0.031 . 6 . . . . . 74 THR CA . 27727 1 439 . 2 . 1 74 74 THR N N 15 118.672 0.029 . 6 . . . . . 74 THR N . 27727 1 440 . 2 . 1 75 75 VAL H H 1 9.05 0.004 . 6 . . . . . 75 VAL H . 27727 1 441 . 2 . 1 75 75 VAL CA C 13 61.456 0.031 . 6 . . . . . 75 VAL CA . 27727 1 442 . 2 . 1 75 75 VAL N N 15 124.629 0.029 . 6 . . . . . 75 VAL N . 27727 1 443 . 2 . 1 76 76 LEU H H 1 8.349 0.004 . 6 . . . . . 76 LEU H . 27727 1 444 . 2 . 1 76 76 LEU CA C 13 52.558 0.031 . 6 . . . . . 76 LEU CA . 27727 1 445 . 2 . 1 76 76 LEU N N 15 125.659 0.029 . 6 . . . . . 76 LEU N . 27727 1 446 . 2 . 1 77 77 VAL H H 1 9.206 0.004 . 6 . . . . . 77 VAL H . 27727 1 447 . 2 . 1 77 77 VAL CA C 13 59.858 0.031 . 6 . . . . . 77 VAL CA . 27727 1 448 . 2 . 1 77 77 VAL N N 15 121.274 0.029 . 6 . . . . . 77 VAL N . 27727 1 449 . 2 . 1 78 78 GLY H H 1 9.032 0.004 . 6 . . . . . 78 GLY H . 27727 1 450 . 2 . 1 78 78 GLY CA C 13 45.807 0.031 . 6 . . . . . 78 GLY CA . 27727 1 451 . 2 . 1 78 78 GLY N N 15 115.04 0.029 . 6 . . . . . 78 GLY N . 27727 1 452 . 2 . 1 79 79 PRO CA C 13 63.076 0.031 . 6 . . . . . 79 PRO CA . 27727 1 453 . 2 . 1 80 80 THR H H 1 8.138 0.004 . 6 . . . . . 80 THR H . 27727 1 454 . 2 . 1 80 80 THR CA C 13 56.449 0.031 . 6 . . . . . 80 THR CA . 27727 1 455 . 2 . 1 80 80 THR N N 15 119.722 0.029 . 6 . . . . . 80 THR N . 27727 1 456 . 2 . 1 81 81 PRO CA C 13 63.622 0.031 . 6 . . . . . 81 PRO CA . 27727 1 457 . 2 . 1 82 82 ALA H H 1 7.316 0.004 . 1 . . . . . 82 ALA H B 27727 1 458 . 2 . 1 82 82 ALA CA C 13 51.074 0.031 . 1 . . . . . 82 ALA CA B 27727 1 459 . 2 . 1 82 82 ALA N N 15 120.365 0.029 . 1 . . . . . 82 ALA N B 27727 1 460 . 2 . 1 83 83 ASN H H 1 8.612 0.004 . 1 . . . . . 83 ASN H B 27727 1 461 . 2 . 1 83 83 ASN CA C 13 53.576 0.031 . 1 . . . . . 83 ASN CA B 27727 1 462 . 2 . 1 83 83 ASN N N 15 120.371 0.029 . 1 . . . . . 83 ASN N B 27727 1 463 . 2 . 1 84 84 ILE H H 1 9.658 0.004 . 1 . . . . . 84 ILE H B 27727 1 464 . 2 . 1 84 84 ILE CA C 13 61.437 0.031 . 1 . . . . . 84 ILE CA B 27727 1 465 . 2 . 1 84 84 ILE N N 15 127.968 0.029 . 1 . . . . . 84 ILE N B 27727 1 466 . 2 . 1 85 85 ILE H H 1 9.285 0.004 . 1 . . . . . 85 ILE H B 27727 1 467 . 2 . 1 85 85 ILE CA C 13 58.255 0.031 . 1 . . . . . 85 ILE CA B 27727 1 468 . 2 . 1 85 85 ILE N N 15 126.032 0.029 . 1 . . . . . 85 ILE N B 27727 1 469 . 2 . 1 86 86 GLY H H 1 8.069 0.004 . 1 . . . . . 86 GLY H B 27727 1 470 . 2 . 1 86 86 GLY CA C 13 43.447 0.031 . 1 . . . . . 86 GLY CA B 27727 1 471 . 2 . 1 86 86 GLY N N 15 112.614 0.029 . 1 . . . . . 86 GLY N B 27727 1 472 . 2 . 1 87 87 ARG H H 1 9.181 0.004 . 1 . . . . . 87 ARG H B 27727 1 473 . 2 . 1 87 87 ARG CA C 13 61.268 0.031 . 1 . . . . . 87 ARG CA B 27727 1 474 . 2 . 1 87 87 ARG N N 15 116.835 0.029 . 1 . . . . . 87 ARG N B 27727 1 475 . 2 . 1 88 88 ASN H H 1 7.916 0.004 . 1 . . . . . 88 ASN H B 27727 1 476 . 2 . 1 88 88 ASN CA C 13 56.793 0.031 . 1 . . . . . 88 ASN CA B 27727 1 477 . 2 . 1 88 88 ASN N N 15 115.218 0.029 . 1 . . . . . 88 ASN N B 27727 1 478 . 2 . 1 89 89 LEU H H 1 6.955 0.004 . 1 . . . . . 89 LEU H B 27727 1 479 . 2 . 1 89 89 LEU CA C 13 55.14 0.031 . 1 . . . . . 89 LEU CA B 27727 1 480 . 2 . 1 89 89 LEU N N 15 115.987 0.029 . 1 . . . . . 89 LEU N B 27727 1 481 . 2 . 1 90 90 LEU H H 1 8.308 0.004 . 6 . . . . . 90 LEU H . 27727 1 482 . 2 . 1 90 90 LEU CA C 13 57.811 0.031 . 6 . . . . . 90 LEU CA . 27727 1 483 . 2 . 1 90 90 LEU N N 15 120.145 0.029 . 6 . . . . . 90 LEU N . 27727 1 484 . 2 . 1 91 91 THR H H 1 7.823 0.004 . 6 . . . . . 91 THR H . 27727 1 485 . 2 . 1 91 91 THR CA C 13 63.529 0.031 . 6 . . . . . 91 THR CA . 27727 1 486 . 2 . 1 91 91 THR N N 15 105.996 0.029 . 6 . . . . . 91 THR N . 27727 1 487 . 2 . 1 92 92 GLN CA C 13 57.785 0.031 . 6 . . . . . 92 GLN CA . 27727 1 488 . 2 . 1 93 93 ILE H H 1 6.951 0.004 . 6 . . . . . 93 ILE H . 27727 1 489 . 2 . 1 93 93 ILE CA C 13 60.467 0.031 . 6 . . . . . 93 ILE CA . 27727 1 490 . 2 . 1 93 93 ILE N N 15 108.708 0.029 . 6 . . . . . 93 ILE N . 27727 1 491 . 2 . 1 94 94 GLY CA C 13 45.973 0.031 . 6 . . . . . 94 GLY CA . 27727 1 492 . 2 . 1 95 95 ALA H H 1 7.457 0.004 . 6 . . . . . 95 ALA H . 27727 1 493 . 2 . 1 95 95 ALA CA C 13 51.348 0.031 . 6 . . . . . 95 ALA CA . 27727 1 494 . 2 . 1 95 95 ALA N N 15 120.263 0.029 . 6 . . . . . 95 ALA N . 27727 1 495 . 2 . 1 96 96 THR H H 1 8.98 0.004 . 6 . . . . . 96 THR H . 27727 1 496 . 2 . 1 96 96 THR CA C 13 59.402 0.031 . 6 . . . . . 96 THR CA . 27727 1 497 . 2 . 1 96 96 THR N N 15 108.905 0.029 . 6 . . . . . 96 THR N . 27727 1 498 . 2 . 1 97 97 LEU H H 1 8.496 0.004 . 6 . . . . . 97 LEU H . 27727 1 499 . 2 . 1 97 97 LEU CA C 13 53.223 0.031 . 6 . . . . . 97 LEU CA . 27727 1 500 . 2 . 1 97 97 LEU N N 15 121.615 0.029 . 6 . . . . . 97 LEU N . 27727 1 501 . 2 . 1 98 98 ASN H H 1 9.00 0.004 . 6 . . . . . 98 ASN H . 27727 1 502 . 2 . 1 98 98 ASN CA C 13 52.793 0.031 . 6 . . . . . 98 ASN CA . 27727 1 503 . 2 . 1 98 98 ASN N N 15 122.91 0.029 . 6 . . . . . 98 ASN N . 27727 1 504 . 2 . 1 99 99 PHE H H 1 7.983 0.004 . 6 . . . . . 99 PHE H . 27727 1 505 . 2 . 1 99 99 PHE CA C 13 58.972 0.031 . 6 . . . . . 99 PHE CA . 27727 1 506 . 2 . 1 99 99 PHE N N 15 121.797 0.029 . 6 . . . . . 99 PHE N . 27727 1 stop_ save_