################################### # 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 27731 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.031 _Assigned_chem_shift_list.Chem_shift_15N_err 0.058 _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 or 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 '2D 1H-15N HSQC' . . . 27731 1 2 '3D HNCA' . . . 27731 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 $NMRPipe . . 27731 1 2 $NMRDraw . . 27731 1 3 $TOPSPIN . . 27731 1 4 $Analysis . . 27731 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 62.055 0.031 . 6 . . . . . 1 PRO CA . 27731 1 2 . 1 . 1 2 2 GLN H H 1 8.54 0.006 . 6 . . . . . 2 GLN H . 27731 1 3 . 1 . 1 2 2 GLN CA C 13 55.557 0.031 . 6 . . . . . 2 GLN CA . 27731 1 4 . 1 . 1 2 2 GLN N N 15 120.356 0.058 . 6 . . . . . 2 GLN N . 27731 1 5 . 1 . 1 3 3 ILE H H 1 9.424 0.006 . 6 . . . . . 3 ILE H . 27731 1 6 . 1 . 1 3 3 ILE CA C 13 60.596 0.031 . 6 . . . . . 3 ILE CA . 27731 1 7 . 1 . 1 3 3 ILE N N 15 127.87 0.058 . 6 . . . . . 3 ILE N . 27731 1 8 . 1 . 1 4 4 THR H H 1 8.343 0.006 . 6 . . . . . 4 THR H . 27731 1 9 . 1 . 1 4 4 THR CA C 13 60.789 0.031 . 6 . . . . . 4 THR CA . 27731 1 10 . 1 . 1 4 4 THR N N 15 115.499 0.058 . 6 . . . . . 4 THR N . 27731 1 11 . 1 . 1 5 5 LEU H H 1 9.155 0.006 . 6 . . . . . 5 LEU H . 27731 1 12 . 1 . 1 5 5 LEU CA C 13 54.065 0.031 . 6 . . . . . 5 LEU CA . 27731 1 13 . 1 . 1 5 5 LEU N N 15 116.841 0.058 . 6 . . . . . 5 LEU N . 27731 1 14 . 1 . 1 6 6 TRP H H 1 7.331 0.006 . 6 . . . . . 6 TRP H . 27731 1 15 . 1 . 1 6 6 TRP CA C 13 59.169 0.031 . 6 . . . . . 6 TRP CA . 27731 1 16 . 1 . 1 6 6 TRP N N 15 120.866 0.058 . 6 . . . . . 6 TRP N . 27731 1 17 . 1 . 1 7 7 LYS H H 1 7.48 0.006 . 6 . . . . . 7 LYS H . 27731 1 18 . 1 . 1 7 7 LYS CA C 13 53.542 0.031 . 6 . . . . . 7 LYS CA . 27731 1 19 . 1 . 1 7 7 LYS N N 15 115.278 0.058 . 6 . . . . . 7 LYS N . 27731 1 20 . 1 . 1 8 8 ARG H H 1 8.758 0.006 . 6 . . . . . 8 ARG H . 27731 1 21 . 1 . 1 8 8 ARG CA C 13 56.275 0.031 . 6 . . . . . 8 ARG CA . 27731 1 22 . 1 . 1 8 8 ARG N N 15 120.508 0.058 . 6 . . . . . 8 ARG N . 27731 1 23 . 1 . 1 9 9 PRO CA C 13 61.699 0.031 . 6 . . . . . 9 PRO CA . 27731 1 24 . 1 . 1 10 10 ILE H H 1 7.579 0.006 . 6 . . . . . 10 ILE H . 27731 1 25 . 1 . 1 10 10 ILE CA C 13 59.196 0.031 . 6 . . . . . 10 ILE CA . 27731 1 26 . 1 . 1 10 10 ILE N N 15 127.05 0.058 . 6 . . . . . 10 ILE N . 27731 1 27 . 1 . 1 11 11 VAL H H 1 9.178 0.006 . 6 . . . . . 11 VAL H . 27731 1 28 . 1 . 1 11 11 VAL CA C 13 58.42 0.031 . 6 . . . . . 11 VAL CA . 27731 1 29 . 1 . 1 11 11 VAL N N 15 120.051 0.058 . 6 . . . . . 11 VAL N . 27731 1 30 . 1 . 1 12 12 THR H H 1 8.529 0.006 . 6 . . . . . 12 THR H . 27731 1 31 . 1 . 1 12 12 THR CA C 13 62.742 0.031 . 6 . . . . . 12 THR CA . 27731 1 32 . 1 . 1 12 12 THR N N 15 116.299 0.058 . 6 . . . . . 12 THR N . 27731 1 33 . 1 . 1 13 13 ILE H H 1 9.283 0.006 . 6 . . . . . 13 ILE H . 27731 1 34 . 1 . 1 13 13 ILE CA C 13 58.077 0.031 . 6 . . . . . 13 ILE CA . 27731 1 35 . 1 . 1 13 13 ILE N N 15 120.627 0.058 . 6 . . . . . 13 ILE N . 27731 1 36 . 1 . 1 14 14 ARG H H 1 8.606 0.006 . 6 . . . . . 14 ARG H . 27731 1 37 . 1 . 1 14 14 ARG CA C 13 54.626 0.031 . 6 . . . . . 14 ARG CA . 27731 1 38 . 1 . 1 14 14 ARG N N 15 120.591 0.058 . 6 . . . . . 14 ARG N . 27731 1 39 . 1 . 1 15 15 ILE H H 1 8.931 0.006 . 6 . . . . . 15 ILE H . 27731 1 40 . 1 . 1 15 15 ILE CA C 13 59.211 0.031 . 6 . . . . . 15 ILE CA . 27731 1 41 . 1 . 1 15 15 ILE N N 15 124.869 0.058 . 6 . . . . . 15 ILE N . 27731 1 42 . 1 . 1 16 16 GLY H H 1 9.745 0.006 . 6 . . . . . 16 GLY H . 27731 1 43 . 1 . 1 16 16 GLY CA C 13 46.928 0.031 . 6 . . . . . 16 GLY CA . 27731 1 44 . 1 . 1 16 16 GLY N N 15 118.241 0.058 . 6 . . . . . 16 GLY N . 27731 1 45 . 1 . 1 17 17 GLY H H 1 8.778 0.006 . 6 . . . . . 17 GLY H . 27731 1 46 . 1 . 1 17 17 GLY CA C 13 45.042 0.031 . 6 . . . . . 17 GLY CA . 27731 1 47 . 1 . 1 17 17 GLY N N 15 105.431 0.058 . 6 . . . . . 17 GLY N . 27731 1 48 . 1 . 1 18 18 GLN H H 1 8.003 0.006 . 6 . . . . . 18 GLN H . 27731 1 49 . 1 . 1 18 18 GLN CA C 13 54.323 0.031 . 6 . . . . . 18 GLN CA . 27731 1 50 . 1 . 1 18 18 GLN N N 15 120.034 0.058 . 6 . . . . . 18 GLN N . 27731 1 51 . 1 . 1 19 19 LEU H H 1 8.472 0.006 . 6 . . . . . 19 LEU H . 27731 1 52 . 1 . 1 19 19 LEU CA C 13 54.201 0.031 . 6 . . . . . 19 LEU CA . 27731 1 53 . 1 . 1 19 19 LEU N N 15 123.573 0.058 . 6 . . . . . 19 LEU N . 27731 1 54 . 1 . 1 20 20 LYS H H 1 9.011 0.006 . 6 . . . . . 20 LYS H . 27731 1 55 . 1 . 1 20 20 LYS CA C 13 54.114 0.031 . 6 . . . . . 20 LYS CA . 27731 1 56 . 1 . 1 20 20 LYS N N 15 123.538 0.058 . 6 . . . . . 20 LYS N . 27731 1 57 . 1 . 1 21 21 GLU H H 1 8.603 0.006 . 6 . . . . . 21 GLU H . 27731 1 58 . 1 . 1 21 21 GLU CA C 13 55.145 0.031 . 6 . . . . . 21 GLU CA . 27731 1 59 . 1 . 1 21 21 GLU N N 15 119.644 0.058 . 6 . . . . . 21 GLU N . 27731 1 60 . 1 . 1 22 22 ALA H H 1 9.275 0.006 . 1 . . . . . 22 ALA H A 27731 1 61 . 1 . 1 22 22 ALA CA C 13 50.878 0.031 . 1 . . . . . 22 ALA CA A 27731 1 62 . 1 . 1 22 22 ALA N N 15 123.792 0.058 . 1 . . . . . 22 ALA N A 27731 1 63 . 1 . 1 23 23 LEU H H 1 8.887 0.006 . 1 . . . . . 23 LEU H A 27731 1 64 . 1 . 1 23 23 LEU CA C 13 53.287 0.031 . 1 . . . . . 23 LEU CA A 27731 1 65 . 1 . 1 23 23 LEU N N 15 121.366 0.058 . 1 . . . . . 23 LEU N A 27731 1 66 . 1 . 1 24 24 LEU H H 1 8.424 0.006 . 1 . . . . . 24 LEU H A 27731 1 67 . 1 . 1 24 24 LEU CA C 13 55.559 0.031 . 1 . . . . . 24 LEU CA A 27731 1 68 . 1 . 1 24 24 LEU N N 15 124.792 0.058 . 1 . . . . . 24 LEU N A 27731 1 69 . 1 . 1 25 25 ASP H H 1 8.752 0.006 . 1 . . . . . 25 ASP H A 27731 1 70 . 1 . 1 25 25 ASP CA C 13 52.257 0.031 . 1 . . . . . 25 ASP CA A 27731 1 71 . 1 . 1 25 25 ASP N N 15 128.704 0.058 . 1 . . . . . 25 ASP N A 27731 1 72 . 1 . 1 26 26 THR H H 1 8.200 0.006 . 1 . . . . . 26 THR H A 27731 1 73 . 1 . 1 26 26 THR CA C 13 65.526 0.031 . 1 . . . . . 26 THR CA A 27731 1 74 . 1 . 1 26 26 THR N N 15 111.009 0.058 . 1 . . . . . 26 THR N A 27731 1 75 . 1 . 1 27 27 GLY H H 1 7.912 0.006 . 1 . . . . . 27 GLY H A 27731 1 76 . 1 . 1 27 27 GLY CA C 13 45.13 0.031 . 1 . . . . . 27 GLY CA A 27731 1 77 . 1 . 1 27 27 GLY N N 15 108.958 0.058 . 1 . . . . . 27 GLY N A 27731 1 78 . 1 . 1 28 28 ALA H H 1 7.521 0.006 . 1 . . . . . 28 ALA H A 27731 1 79 . 1 . 1 28 28 ALA CA C 13 50.08 0.031 . 1 . . . . . 28 ALA CA A 27731 1 80 . 1 . 1 28 28 ALA N N 15 126.297 0.058 . 1 . . . . . 28 ALA N A 27731 1 81 . 1 . 1 29 29 ASP H H 1 8.647 0.006 . 1 . . . . . 29 ASP H A 27731 1 82 . 1 . 1 29 29 ASP CA C 13 57.678 0.031 . 1 . . . . . 29 ASP CA A 27731 1 83 . 1 . 1 29 29 ASP N N 15 125.927 0.058 . 1 . . . . . 29 ASP N A 27731 1 84 . 1 . 1 30 30 ASP H H 1 7.622 0.006 . 1 . . . . . 30 ASP H A 27731 1 85 . 1 . 1 30 30 ASP CA C 13 52.84 0.031 . 1 . . . . . 30 ASP CA A 27731 1 86 . 1 . 1 30 30 ASP N N 15 115.929 0.058 . 1 . . . . . 30 ASP N A 27731 1 87 . 1 . 1 31 31 THR H H 1 8.322 0.006 . 1 . . . . . 31 THR H A 27731 1 88 . 1 . 1 31 31 THR CA C 13 63.041 0.031 . 1 . . . . . 31 THR CA A 27731 1 89 . 1 . 1 31 31 THR N N 15 117.328 0.058 . 1 . . . . . 31 THR N A 27731 1 90 . 1 . 1 32 32 VAL H H 1 8.287 0.006 . 1 . . . . . 32 VAL H A 27731 1 91 . 1 . 1 32 32 VAL CA C 13 60.304 0.031 . 1 . . . . . 32 VAL CA A 27731 1 92 . 1 . 1 32 32 VAL N N 15 127.947 0.058 . 1 . . . . . 32 VAL N A 27731 1 93 . 1 . 1 33 33 ILE H H 1 9.232 0.006 . 1 . . . . . 33 ILE H A 27731 1 94 . 1 . 1 33 33 ILE CA C 13 56.984 0.031 . 1 . . . . . 33 ILE CA A 27731 1 95 . 1 . 1 33 33 ILE N N 15 125.658 0.058 . 1 . . . . . 33 ILE N A 27731 1 96 . 1 . 1 34 34 GLU H H 1 8.094 0.006 . 1 . . . . . 34 GLU H A 27731 1 97 . 1 . 1 34 34 GLU CA C 13 55.363 0.031 . 1 . . . . . 34 GLU CA A 27731 1 98 . 1 . 1 34 34 GLU N N 15 119.974 0.058 . 1 . . . . . 34 GLU N A 27731 1 99 . 1 . 1 35 35 GLU H H 1 7.526 0.006 . 1 . . . . . 35 GLU H A 27731 1 100 . 1 . 1 35 35 GLU CA C 13 58.163 0.031 . 1 . . . . . 35 GLU CA A 27731 1 101 . 1 . 1 35 35 GLU N N 15 115.33 0.058 . 1 . . . . . 35 GLU N A 27731 1 102 . 1 . 1 36 36 MET H H 1 7.021 0.006 . 1 . . . . . 36 MET H A 27731 1 103 . 1 . 1 36 36 MET CA C 13 54.707 0.031 . 1 . . . . . 36 MET CA A 27731 1 104 . 1 . 1 36 36 MET N N 15 120.47 0.058 . 1 . . . . . 36 MET N A 27731 1 105 . 1 . 1 37 37 ASN H H 1 8.649 0.006 . 6 . . . . . 37 ASN H . 27731 1 106 . 1 . 1 37 37 ASN CA C 13 52.667 0.031 . 6 . . . . . 37 ASN CA . 27731 1 107 . 1 . 1 37 37 ASN N N 15 118.911 0.058 . 6 . . . . . 37 ASN N . 27731 1 108 . 1 . 1 38 38 LEU H H 1 7.294 0.006 . 6 . . . . . 38 LEU H . 27731 1 109 . 1 . 1 38 38 LEU CA C 13 51.864 0.031 . 6 . . . . . 38 LEU CA . 27731 1 110 . 1 . 1 38 38 LEU N N 15 124.692 0.058 . 6 . . . . . 38 LEU N . 27731 1 111 . 1 . 1 39 39 PRO CA C 13 62.675 0.031 . 6 . . . . . 39 PRO CA . 27731 1 112 . 1 . 1 40 40 GLY H H 1 8.379 0.006 . 6 . . . . . 40 GLY H . 27731 1 113 . 1 . 1 40 40 GLY CA C 13 44.282 0.031 . 6 . . . . . 40 GLY CA . 27731 1 114 . 1 . 1 40 40 GLY N N 15 106.257 0.058 . 6 . . . . . 40 GLY N . 27731 1 115 . 1 . 1 41 41 LYS H H 1 8.40 0.006 . 6 . . . . . 41 LYS H . 27731 1 116 . 1 . 1 41 41 LYS CA C 13 56.225 0.031 . 6 . . . . . 41 LYS CA . 27731 1 117 . 1 . 1 41 41 LYS N N 15 119.198 0.058 . 6 . . . . . 41 LYS N . 27731 1 118 . 1 . 1 42 42 TRP H H 1 7.408 0.006 . 6 . . . . . 42 TRP H . 27731 1 119 . 1 . 1 42 42 TRP CA C 13 53.852 0.031 . 6 . . . . . 42 TRP CA . 27731 1 120 . 1 . 1 42 42 TRP N N 15 118.552 0.058 . 6 . . . . . 42 TRP N . 27731 1 121 . 1 . 1 43 43 LYS H H 1 8.445 0.006 . 6 . . . . . 43 LYS H . 27731 1 122 . 1 . 1 43 43 LYS CA C 13 52.884 0.031 . 6 . . . . . 43 LYS CA . 27731 1 123 . 1 . 1 43 43 LYS N N 15 118.085 0.058 . 6 . . . . . 43 LYS N . 27731 1 124 . 1 . 1 44 44 PRO CA C 13 63.166 0.031 . 6 . . . . . 44 PRO CA . 27731 1 125 . 1 . 1 45 45 LYS H H 1 8.587 0.006 . 1 . . . . . 45 LYS H A 27731 1 126 . 1 . 1 45 45 LYS CA C 13 55.635 0.031 . 1 . . . . . 45 LYS CA A 27731 1 127 . 1 . 1 45 45 LYS N N 15 122.725 0.058 . 1 . . . . . 45 LYS N A 27731 1 128 . 1 . 1 46 46 MET H H 1 8.516 0.006 . 1 . . . . . 46 MET H A 27731 1 129 . 1 . 1 46 46 MET CA C 13 53.733 0.031 . 1 . . . . . 46 MET CA A 27731 1 130 . 1 . 1 46 46 MET N N 15 124.157 0.058 . 1 . . . . . 46 MET N A 27731 1 131 . 1 . 1 47 47 ILE H H 1 8.936 0.006 . 1 . . . . . 47 ILE H A 27731 1 132 . 1 . 1 47 47 ILE CA C 13 59.288 0.031 . 1 . . . . . 47 ILE CA A 27731 1 133 . 1 . 1 47 47 ILE N N 15 118.661 0.058 . 1 . . . . . 47 ILE N A 27731 1 134 . 1 . 1 48 48 VAL H H 1 8.126 0.006 . 1 . . . . . 48 VAL H A 27731 1 135 . 1 . 1 48 48 VAL CA C 13 61.325 0.031 . 1 . . . . . 48 VAL CA A 27731 1 136 . 1 . 1 48 48 VAL N N 15 121.041 0.058 . 1 . . . . . 48 VAL N A 27731 1 137 . 1 . 1 49 49 GLY H H 1 7.657 0.006 . 1 . . . . . 49 GLY H A 27731 1 138 . 1 . 1 49 49 GLY CA C 13 43.586 0.031 . 1 . . . . . 49 GLY CA A 27731 1 139 . 1 . 1 49 49 GLY N N 15 108.97 0.058 . 1 . . . . . 49 GLY N A 27731 1 140 . 1 . 1 50 50 ILE H H 1 8.788 0.006 . 1 . . . . . 50 ILE H A 27731 1 141 . 1 . 1 50 50 ILE CA C 13 63.255 0.031 . 1 . . . . . 50 ILE CA A 27731 1 142 . 1 . 1 50 50 ILE N N 15 121.419 0.058 . 1 . . . . . 50 ILE N A 27731 1 143 . 1 . 1 51 51 GLY H H 1 8.064 0.006 . 1 . . . . . 51 GLY H A 27731 1 144 . 1 . 1 51 51 GLY N N 15 104.744 0.058 . 1 . . . . . 51 GLY N A 27731 1 145 . 1 . 1 52 52 GLY H H 1 7.101 0.006 . 1 . . . . . 52 GLY H A 27731 1 146 . 1 . 1 52 52 GLY CA C 13 43.976 0.031 . 1 . . . . . 52 GLY CA A 27731 1 147 . 1 . 1 52 52 GLY N N 15 106.876 0.058 . 1 . . . . . 52 GLY N A 27731 1 148 . 1 . 1 53 53 PHE H H 1 8.202 0.006 . 1 . . . . . 53 PHE H A 27731 1 149 . 1 . 1 53 53 PHE CA C 13 57.38 0.031 . 1 . . . . . 53 PHE CA A 27731 1 150 . 1 . 1 53 53 PHE N N 15 118.974 0.058 . 1 . . . . . 53 PHE N A 27731 1 151 . 1 . 1 54 54 ALA H H 1 9.24 0.006 . 1 . . . . . 54 ALA H A 27731 1 152 . 1 . 1 54 54 ALA CA C 13 51.184 0.031 . 1 . . . . . 54 ALA CA A 27731 1 153 . 1 . 1 54 54 ALA N N 15 122.411 0.058 . 1 . . . . . 54 ALA N A 27731 1 154 . 1 . 1 55 55 LYS H H 1 8.548 0.006 . 1 . . . . . 55 LYS H A 27731 1 155 . 1 . 1 55 55 LYS CA C 13 56.329 0.031 . 1 . . . . . 55 LYS CA A 27731 1 156 . 1 . 1 55 55 LYS N N 15 123.689 0.058 . 1 . . . . . 55 LYS N A 27731 1 157 . 1 . 1 56 56 VAL H H 1 8.947 0.006 . 1 . . . . . 56 VAL H A 27731 1 158 . 1 . 1 56 56 VAL CA C 13 58.343 0.031 . 1 . . . . . 56 VAL CA A 27731 1 159 . 1 . 1 56 56 VAL N N 15 116.902 0.058 . 1 . . . . . 56 VAL N A 27731 1 160 . 1 . 1 57 57 ARG H H 1 8.867 0.006 . 1 . . . . . 57 ARG H A 27731 1 161 . 1 . 1 57 57 ARG CA C 13 55.712 0.031 . 1 . . . . . 57 ARG CA A 27731 1 162 . 1 . 1 57 57 ARG N N 15 119.088 0.058 . 1 . . . . . 57 ARG N A 27731 1 163 . 1 . 1 58 58 GLN H H 1 9.695 0.006 . 1 . . . . . 58 GLN H A 27731 1 164 . 1 . 1 58 58 GLN CA C 13 55.975 0.031 . 1 . . . . . 58 GLN CA A 27731 1 165 . 1 . 1 58 58 GLN N N 15 123.73 0.058 . 1 . . . . . 58 GLN N A 27731 1 166 . 1 . 1 59 59 TYR H H 1 9.211 0.006 . 1 . . . . . 59 TYR H A 27731 1 167 . 1 . 1 59 59 TYR CA C 13 57.349 0.031 . 1 . . . . . 59 TYR CA A 27731 1 168 . 1 . 1 59 59 TYR N N 15 129.192 0.058 . 1 . . . . . 59 TYR N A 27731 1 169 . 1 . 1 60 60 ASP H H 1 8.904 0.006 . 1 . . . . . 60 ASP H A 27731 1 170 . 1 . 1 60 60 ASP CA C 13 53.799 0.031 . 1 . . . . . 60 ASP CA A 27731 1 171 . 1 . 1 60 60 ASP N N 15 121.081 0.058 . 1 . . . . . 60 ASP N A 27731 1 172 . 1 . 1 61 61 GLN H H 1 8.957 0.006 . 1 . . . . . 61 GLN H A 27731 1 173 . 1 . 1 61 61 GLN CA C 13 56.266 0.031 . 1 . . . . . 61 GLN CA A 27731 1 174 . 1 . 1 61 61 GLN N N 15 114.158 0.058 . 1 . . . . . 61 GLN N A 27731 1 175 . 1 . 1 62 62 ILE H H 1 8.715 0.006 . 1 . . . . . 62 ILE H A 27731 1 176 . 1 . 1 62 62 ILE CA C 13 55.075 0.031 . 1 . . . . . 62 ILE CA A 27731 1 177 . 1 . 1 62 62 ILE N N 15 122.451 0.058 . 1 . . . . . 62 ILE N A 27731 1 178 . 1 . 1 63 63 PRO CA C 13 61.878 0.031 . 6 . . . . . 63 PRO CA . 27731 1 179 . 1 . 1 64 64 ILE H H 1 8.829 0.006 . 6 . . . . . 64 ILE H . 27731 1 180 . 1 . 1 64 64 ILE CA C 13 59.544 0.031 . 6 . . . . . 64 ILE CA . 27731 1 181 . 1 . 1 64 64 ILE N N 15 123.274 0.058 . 6 . . . . . 64 ILE N . 27731 1 182 . 1 . 1 65 65 GLU H H 1 8.297 0.006 . 6 . . . . . 65 GLU H . 27731 1 183 . 1 . 1 65 65 GLU CA C 13 54.173 0.031 . 6 . . . . . 65 GLU CA . 27731 1 184 . 1 . 1 65 65 GLU N N 15 125.499 0.058 . 6 . . . . . 65 GLU N . 27731 1 185 . 1 . 1 66 66 ILE H H 1 9.171 0.006 . 6 . . . . . 66 ILE H . 27731 1 186 . 1 . 1 66 66 ILE CA C 13 60.329 0.031 . 6 . . . . . 66 ILE CA . 27731 1 187 . 1 . 1 66 66 ILE N N 15 125.037 0.058 . 6 . . . . . 66 ILE N . 27731 1 188 . 1 . 1 67 67 ALA H H 1 9.036 0.006 . 6 . . . . . 67 ALA H . 27731 1 189 . 1 . 1 67 67 ALA CA C 13 53.248 0.031 . 6 . . . . . 67 ALA CA . 27731 1 190 . 1 . 1 67 67 ALA N N 15 131.135 0.058 . 6 . . . . . 67 ALA N . 27731 1 191 . 1 . 1 68 68 GLY H H 1 8.669 0.006 . 6 . . . . . 68 GLY H . 27731 1 192 . 1 . 1 68 68 GLY CA C 13 45.404 0.031 . 6 . . . . . 68 GLY CA . 27731 1 193 . 1 . 1 68 68 GLY N N 15 103.01 0.058 . 6 . . . . . 68 GLY N . 27731 1 194 . 1 . 1 69 69 HIS H H 1 8.298 0.006 . 6 . . . . . 69 HIS H . 27731 1 195 . 1 . 1 69 69 HIS CA C 13 54.447 0.031 . 6 . . . . . 69 HIS CA . 27731 1 196 . 1 . 1 69 69 HIS N N 15 119.359 0.058 . 6 . . . . . 69 HIS N . 27731 1 197 . 1 . 1 70 70 LYS H H 1 9.00 0.006 . 6 . . . . . 70 LYS H . 27731 1 198 . 1 . 1 70 70 LYS CA C 13 57.803 0.031 . 6 . . . . . 70 LYS CA . 27731 1 199 . 1 . 1 70 70 LYS N N 15 125.467 0.058 . 6 . . . . . 70 LYS N . 27731 1 200 . 1 . 1 71 71 ALA H H 1 8.809 0.006 . 6 . . . . . 71 ALA H . 27731 1 201 . 1 . 1 71 71 ALA CA C 13 50.872 0.031 . 6 . . . . . 71 ALA CA . 27731 1 202 . 1 . 1 71 71 ALA N N 15 126.57 0.058 . 6 . . . . . 71 ALA N . 27731 1 203 . 1 . 1 72 72 ILE H H 1 8.518 0.006 . 6 . . . . . 72 ILE H . 27731 1 204 . 1 . 1 72 72 ILE CA C 13 60.045 0.031 . 6 . . . . . 72 ILE CA . 27731 1 205 . 1 . 1 72 72 ILE N N 15 119.314 0.058 . 6 . . . . . 72 ILE N . 27731 1 206 . 1 . 1 73 73 GLY H H 1 8.459 0.006 . 6 . . . . . 73 GLY H . 27731 1 207 . 1 . 1 73 73 GLY CA C 13 46.036 0.031 . 6 . . . . . 73 GLY CA . 27731 1 208 . 1 . 1 73 73 GLY N N 15 112.443 0.058 . 6 . . . . . 73 GLY N . 27731 1 209 . 1 . 1 74 74 THR H H 1 8.741 0.006 . 6 . . . . . 74 THR H . 27731 1 210 . 1 . 1 74 74 THR CA C 13 63.527 0.031 . 6 . . . . . 74 THR CA . 27731 1 211 . 1 . 1 74 74 THR N N 15 118.68 0.058 . 6 . . . . . 74 THR N . 27731 1 212 . 1 . 1 75 75 VAL H H 1 9.265 0.006 . 6 . . . . . 75 VAL H . 27731 1 213 . 1 . 1 75 75 VAL CA C 13 61.377 0.031 . 6 . . . . . 75 VAL CA . 27731 1 214 . 1 . 1 75 75 VAL N N 15 126.965 0.058 . 6 . . . . . 75 VAL N . 27731 1 215 . 1 . 1 76 76 LEU H H 1 8.205 0.006 . 6 . . . . . 76 LEU H . 27731 1 216 . 1 . 1 76 76 LEU CA C 13 52.435 0.031 . 6 . . . . . 76 LEU CA . 27731 1 217 . 1 . 1 76 76 LEU N N 15 125.138 0.058 . 6 . . . . . 76 LEU N . 27731 1 218 . 1 . 1 77 77 VAL H H 1 9.31 0.006 . 6 . . . . . 77 VAL H . 27731 1 219 . 1 . 1 77 77 VAL CA C 13 59.879 0.031 . 6 . . . . . 77 VAL CA . 27731 1 220 . 1 . 1 77 77 VAL N N 15 121.624 0.058 . 6 . . . . . 77 VAL N . 27731 1 221 . 1 . 1 78 78 GLY H H 1 8.81 0.006 . 6 . . . . . 78 GLY H . 27731 1 222 . 1 . 1 78 78 GLY CA C 13 45.508 0.031 . 6 . . . . . 78 GLY CA . 27731 1 223 . 1 . 1 78 78 GLY N N 15 113.866 0.058 . 6 . . . . . 78 GLY N . 27731 1 224 . 1 . 1 79 79 PRO CA C 13 62.899 0.031 . 6 . . . . . 79 PRO CA . 27731 1 225 . 1 . 1 80 80 THR H H 1 8.015 0.006 . 6 . . . . . 80 THR H . 27731 1 226 . 1 . 1 80 80 THR CA C 13 56.745 0.031 . 6 . . . . . 80 THR CA . 27731 1 227 . 1 . 1 80 80 THR N N 15 118.678 0.058 . 6 . . . . . 80 THR N . 27731 1 228 . 1 . 1 81 81 PRO CA C 13 63.133 0.031 . 6 . . . . . 81 PRO CA . 27731 1 229 . 1 . 1 82 82 ALA H H 1 7.355 0.006 . 1 . . . . . 82 ALA H A 27731 1 230 . 1 . 1 82 82 ALA CA C 13 51.129 0.031 . 1 . . . . . 82 ALA CA A 27731 1 231 . 1 . 1 82 82 ALA N N 15 119.599 0.058 . 1 . . . . . 82 ALA N A 27731 1 232 . 1 . 1 83 83 ASN H H 1 8.787 0.006 . 1 . . . . . 83 ASN H A 27731 1 233 . 1 . 1 83 83 ASN CA C 13 53.6 0.031 . 1 . . . . . 83 ASN CA A 27731 1 234 . 1 . 1 83 83 ASN N N 15 121.216 0.058 . 1 . . . . . 83 ASN N A 27731 1 235 . 1 . 1 84 84 ILE H H 1 9.513 0.006 . 1 . . . . . 84 ILE H A 27731 1 236 . 1 . 1 84 84 ILE CA C 13 59.547 0.031 . 1 . . . . . 84 ILE CA A 27731 1 237 . 1 . 1 84 84 ILE N N 15 120.742 0.058 . 1 . . . . . 84 ILE N A 27731 1 238 . 1 . 1 85 85 ILE H H 1 8.773 0.006 . 1 . . . . . 85 ILE H A 27731 1 239 . 1 . 1 85 85 ILE CA C 13 57.8 0.031 . 1 . . . . . 85 ILE CA A 27731 1 240 . 1 . 1 85 85 ILE N N 15 122.001 0.058 . 1 . . . . . 85 ILE N A 27731 1 241 . 1 . 1 86 86 GLY H H 1 8.143 0.006 . 1 . . . . . 86 GLY H A 27731 1 242 . 1 . 1 86 86 GLY CA C 13 43.414 0.031 . 1 . . . . . 86 GLY CA A 27731 1 243 . 1 . 1 86 86 GLY N N 15 113.866 0.058 . 1 . . . . . 86 GLY N A 27731 1 244 . 1 . 1 87 87 ARG H H 1 9.366 0.006 . 1 . . . . . 87 ARG H A 27731 1 245 . 1 . 1 87 87 ARG CA C 13 61.299 0.031 . 1 . . . . . 87 ARG CA A 27731 1 246 . 1 . 1 87 87 ARG N N 15 116.691 0.058 . 1 . . . . . 87 ARG N A 27731 1 247 . 1 . 1 88 88 ASN H H 1 7.98 0.006 . 1 . . . . . 88 ASN H A 27731 1 248 . 1 . 1 88 88 ASN CA C 13 56.97 0.031 . 1 . . . . . 88 ASN CA A 27731 1 249 . 1 . 1 88 88 ASN N N 15 115.736 0.058 . 1 . . . . . 88 ASN N A 27731 1 250 . 1 . 1 89 89 LEU H H 1 6.919 0.006 . 1 . . . . . 89 LEU H A 27731 1 251 . 1 . 1 89 89 LEU CA C 13 55.238 0.031 . 1 . . . . . 89 LEU CA A 27731 1 252 . 1 . 1 89 89 LEU N N 15 116.587 0.058 . 1 . . . . . 89 LEU N A 27731 1 253 . 1 . 1 90 90 LEU H H 1 8.27 0.006 . 1 . . . . . 90 LEU H . 27731 1 254 . 1 . 1 90 90 LEU CA C 13 57.84 0.031 . 1 . . . . . 90 LEU CA . 27731 1 255 . 1 . 1 90 90 LEU N N 15 120.218 0.058 . 1 . . . . . 90 LEU N . 27731 1 256 . 1 . 1 91 91 THR H H 1 7.842 0.006 . 1 . . . . . 91 THR H . 27731 1 257 . 1 . 1 91 91 THR CA C 13 63.524 0.031 . 1 . . . . . 91 THR CA . 27731 1 258 . 1 . 1 91 91 THR N N 15 106.194 0.058 . 1 . . . . . 91 THR N . 27731 1 259 . 1 . 1 92 92 GLN H H 1 6.692 0.006 . 1 . . . . . 92 GLN H . 27731 1 260 . 1 . 1 92 92 GLN CA C 13 57.818 0.031 . 1 . . . . . 92 GLN CA . 27731 1 261 . 1 . 1 92 92 GLN N N 15 120.072 0.058 . 1 . . . . . 92 GLN N . 27731 1 262 . 1 . 1 93 93 ILE H H 1 6.928 0.006 . 1 . . . . . 93 ILE H . 27731 1 263 . 1 . 1 93 93 ILE CA C 13 60.418 0.031 . 1 . . . . . 93 ILE CA . 27731 1 264 . 1 . 1 93 93 ILE N N 15 108.678 0.058 . 1 . . . . . 93 ILE N . 27731 1 265 . 1 . 1 94 94 GLY H H 1 7.217 0.006 . 1 . . . . . 94 GLY H . 27731 1 266 . 1 . 1 94 94 GLY CA C 13 45.95 0.031 . 1 . . . . . 94 GLY CA . 27731 1 267 . 1 . 1 94 94 GLY N N 15 108.167 0.058 . 1 . . . . . 94 GLY N . 27731 1 268 . 1 . 1 95 95 ALA H H 1 7.457 0.006 . 1 . . . . . 95 ALA H . 27731 1 269 . 1 . 1 95 95 ALA CA C 13 51.417 0.031 . 1 . . . . . 95 ALA CA . 27731 1 270 . 1 . 1 95 95 ALA N N 15 120.38 0.058 . 1 . . . . . 95 ALA N . 27731 1 271 . 1 . 1 96 96 THR H H 1 9.024 0.006 . 1 . . . . . 96 THR H . 27731 1 272 . 1 . 1 96 96 THR CA C 13 59.423 0.031 . 1 . . . . . 96 THR CA . 27731 1 273 . 1 . 1 96 96 THR N N 15 109.009 0.058 . 1 . . . . . 96 THR N . 27731 1 274 . 1 . 1 97 97 LEU H H 1 8.556 0.006 . 1 . . . . . 97 LEU H . 27731 1 275 . 1 . 1 97 97 LEU CA C 13 53.296 0.031 . 1 . . . . . 97 LEU CA . 27731 1 276 . 1 . 1 97 97 LEU N N 15 121.148 0.058 . 1 . . . . . 97 LEU N . 27731 1 277 . 1 . 1 98 98 ASN H H 1 8.917 0.006 . 1 . . . . . 98 ASN H . 27731 1 278 . 1 . 1 98 98 ASN CA C 13 52.8 0.031 . 1 . . . . . 98 ASN CA . 27731 1 279 . 1 . 1 98 98 ASN N N 15 121.503 0.058 . 1 . . . . . 98 ASN N . 27731 1 280 . 1 . 1 99 99 PHE H H 1 8.027 0.006 . 1 . . . . . 99 PHE H . 27731 1 281 . 1 . 1 99 99 PHE CA C 13 58.947 0.031 . 1 . . . . . 99 PHE CA . 27731 1 282 . 1 . 1 99 99 PHE N N 15 122.22 0.058 . 1 . . . . . 99 PHE N . 27731 1 283 . 2 . 1 2 2 GLN CA C 13 55.461 0.031 . 6 . . . . . 2 GLN CA . 27731 1 284 . 2 . 1 3 3 ILE H H 1 9.472 0.006 . 6 . . . . . 3 ILE H . 27731 1 285 . 2 . 1 3 3 ILE CA C 13 60.292 0.031 . 6 . . . . . 3 ILE CA . 27731 1 286 . 2 . 1 3 3 ILE N N 15 127.775 0.058 . 6 . . . . . 3 ILE N . 27731 1 287 . 2 . 1 4 4 THR H H 1 8.353 0.006 . 6 . . . . . 4 THR H . 27731 1 288 . 2 . 1 4 4 THR CA C 13 61.031 0.031 . 6 . . . . . 4 THR CA . 27731 1 289 . 2 . 1 4 4 THR N N 15 115.44 0.058 . 6 . . . . . 4 THR N . 27731 1 290 . 2 . 1 5 5 LEU H H 1 9.168 0.006 . 6 . . . . . 5 LEU H . 27731 1 291 . 2 . 1 5 5 LEU CA C 13 54.088 0.031 . 6 . . . . . 5 LEU CA . 27731 1 292 . 2 . 1 5 5 LEU N N 15 116.903 0.058 . 6 . . . . . 5 LEU N . 27731 1 293 . 2 . 1 7 7 LYS CA C 13 53.498 0.031 . 6 . . . . . 7 LYS CA . 27731 1 294 . 2 . 1 8 8 ARG H H 1 8.812 0.006 . 6 . . . . . 8 ARG H . 27731 1 295 . 2 . 1 8 8 ARG CA C 13 56.187 0.031 . 6 . . . . . 8 ARG CA . 27731 1 296 . 2 . 1 8 8 ARG N N 15 121.038 0.058 . 6 . . . . . 8 ARG N . 27731 1 297 . 2 . 1 9 9 PRO CA C 13 61.635 0.031 . 6 . . . . . 9 PRO CA . 27731 1 298 . 2 . 1 10 10 ILE H H 1 7.607 0.006 . 6 . . . . . 10 ILE H . 27731 1 299 . 2 . 1 10 10 ILE CA C 13 59.428 0.031 . 6 . . . . . 10 ILE CA . 27731 1 300 . 2 . 1 10 10 ILE N N 15 126.653 0.058 . 6 . . . . . 10 ILE N . 27731 1 301 . 2 . 1 11 11 VAL H H 1 9.119 0.006 . 6 . . . . . 11 VAL H . 27731 1 302 . 2 . 1 11 11 VAL CA C 13 58.485 0.031 . 6 . . . . . 11 VAL CA . 27731 1 303 . 2 . 1 11 11 VAL N N 15 120.131 0.058 . 6 . . . . . 11 VAL N . 27731 1 304 . 2 . 1 12 12 THR H H 1 8.485 0.006 . 6 . . . . . 12 THR H . 27731 1 305 . 2 . 1 12 12 THR CA C 13 62.726 0.031 . 6 . . . . . 12 THR CA . 27731 1 306 . 2 . 1 12 12 THR N N 15 116.292 0.058 . 6 . . . . . 12 THR N . 27731 1 307 . 2 . 1 13 13 ILE H H 1 9.276 0.006 . 6 . . . . . 13 ILE H . 27731 1 308 . 2 . 1 13 13 ILE CA C 13 58.014 0.031 . 6 . . . . . 13 ILE CA . 27731 1 309 . 2 . 1 13 13 ILE N N 15 120.692 0.058 . 6 . . . . . 13 ILE N . 27731 1 310 . 2 . 1 15 15 ILE H H 1 8.915 0.006 . 6 . . . . . 15 ILE H . 27731 1 311 . 2 . 1 15 15 ILE N N 15 124.779 0.058 . 6 . . . . . 15 ILE N . 27731 1 312 . 2 . 1 16 16 GLY H H 1 9.731 0.006 . 6 . . . . . 16 GLY H . 27731 1 313 . 2 . 1 16 16 GLY N N 15 118.25 0.058 . 6 . . . . . 16 GLY N . 27731 1 314 . 2 . 1 17 17 GLY CA C 13 45.088 0.031 . 6 . . . . . 17 GLY CA . 27731 1 315 . 2 . 1 18 18 GLN H H 1 8.045 0.006 . 6 . . . . . 18 GLN H . 27731 1 316 . 2 . 1 18 18 GLN CA C 13 54.341 0.031 . 6 . . . . . 18 GLN CA . 27731 1 317 . 2 . 1 18 18 GLN N N 15 120.07 0.058 . 6 . . . . . 18 GLN N . 27731 1 318 . 2 . 1 21 21 GLU CA C 13 55.136 0.031 . 6 . . . . . 21 GLU CA . 27731 1 319 . 2 . 1 22 22 ALA H H 1 9.268 0.006 . 1 . . . . . 22 ALA H B 27731 1 320 . 2 . 1 22 22 ALA CA C 13 50.897 0.031 . 1 . . . . . 22 ALA CA B 27731 1 321 . 2 . 1 22 22 ALA N N 15 123.981 0.058 . 1 . . . . . 22 ALA N B 27731 1 322 . 2 . 1 23 23 LEU H H 1 8.629 0.006 . 1 . . . . . 23 LEU H B 27731 1 323 . 2 . 1 23 23 LEU CA C 13 53.582 0.031 . 1 . . . . . 23 LEU CA B 27731 1 324 . 2 . 1 23 23 LEU N N 15 119.697 0.058 . 1 . . . . . 23 LEU N B 27731 1 325 . 2 . 1 24 24 LEU H H 1 8.299 0.006 . 1 . . . . . 24 LEU H B 27731 1 326 . 2 . 1 24 24 LEU CA C 13 54.736 0.031 . 1 . . . . . 24 LEU CA B 27731 1 327 . 2 . 1 24 24 LEU N N 15 121.708 0.058 . 1 . . . . . 24 LEU N B 27731 1 328 . 2 . 1 25 25 ASP H H 1 8.798 0.006 . 1 . . . . . 25 ASP H B 27731 1 329 . 2 . 1 25 25 ASP CA C 13 53.098 0.031 . 1 . . . . . 25 ASP CA B 27731 1 330 . 2 . 1 25 25 ASP N N 15 127.013 0.058 . 1 . . . . . 25 ASP N B 27731 1 331 . 2 . 1 26 26 THR H H 1 8.393 0.006 . 1 . . . . . 26 THR H B 27731 1 332 . 2 . 1 26 26 THR CA C 13 64.662 0.031 . 1 . . . . . 26 THR CA B 27731 1 333 . 2 . 1 26 26 THR N N 15 112.599 0.058 . 1 . . . . . 26 THR N B 27731 1 334 . 2 . 1 27 27 GLY H H 1 9.369 0.006 . 1 . . . . . 27 GLY H B 27731 1 335 . 2 . 1 27 27 GLY CA C 13 44.971 0.031 . 1 . . . . . 27 GLY CA B 27731 1 336 . 2 . 1 27 27 GLY N N 15 109.149 0.058 . 1 . . . . . 27 GLY N B 27731 1 337 . 2 . 1 28 28 ALA H H 1 6.884 0.006 . 1 . . . . . 28 ALA H B 27731 1 338 . 2 . 1 28 28 ALA CA C 13 49.221 0.031 . 1 . . . . . 28 ALA CA B 27731 1 339 . 2 . 1 28 28 ALA N N 15 124.453 0.058 . 1 . . . . . 28 ALA N B 27731 1 340 . 2 . 1 29 29 ASP H H 1 8.369 0.006 . 1 . . . . . 29 ASP H B 27731 1 341 . 2 . 1 29 29 ASP CA C 13 58.264 0.031 . 1 . . . . . 29 ASP CA B 27731 1 342 . 2 . 1 29 29 ASP N N 15 124.166 0.058 . 1 . . . . . 29 ASP N B 27731 1 343 . 2 . 1 30 30 ASP H H 1 7.196 0.006 . 1 . . . . . 30 ASP H B 27731 1 344 . 2 . 1 30 30 ASP CA C 13 52.354 0.031 . 1 . . . . . 30 ASP CA B 27731 1 345 . 2 . 1 30 30 ASP N N 15 113.309 0.058 . 1 . . . . . 30 ASP N B 27731 1 346 . 2 . 1 31 31 THR H H 1 7.659 0.006 . 1 . . . . . 31 THR H B 27731 1 347 . 2 . 1 31 31 THR CA C 13 63.816 0.031 . 1 . . . . . 31 THR CA B 27731 1 348 . 2 . 1 31 31 THR N N 15 119.233 0.058 . 1 . . . . . 31 THR N B 27731 1 349 . 2 . 1 32 32 VAL H H 1 9.14 0.006 . 1 . . . . . 32 VAL H B 27731 1 350 . 2 . 1 32 32 VAL CA C 13 59.856 0.031 . 1 . . . . . 32 VAL CA B 27731 1 351 . 2 . 1 32 32 VAL N N 15 128.11 0.058 . 1 . . . . . 32 VAL N B 27731 1 352 . 2 . 1 33 33 ILE H H 1 9.222 0.006 . 1 . . . . . 33 ILE H B 27731 1 353 . 2 . 1 33 33 ILE CA C 13 56.829 0.031 . 1 . . . . . 33 ILE CA B 27731 1 354 . 2 . 1 33 33 ILE N N 15 125.896 0.058 . 1 . . . . . 33 ILE N B 27731 1 355 . 2 . 1 34 34 GLU H H 1 7.965 0.006 . 1 . . . . . 34 GLU H B 27731 1 356 . 2 . 1 34 34 GLU CA C 13 55.276 0.031 . 1 . . . . . 34 GLU CA B 27731 1 357 . 2 . 1 34 34 GLU N N 15 119.913 0.058 . 1 . . . . . 34 GLU N B 27731 1 358 . 2 . 1 35 35 GLU H H 1 7.036 0.006 . 1 . . . . . 35 GLU H B 27731 1 359 . 2 . 1 35 35 GLU CA C 13 58.3 0.031 . 1 . . . . . 35 GLU CA B 27731 1 360 . 2 . 1 35 35 GLU N N 15 115.362 0.058 . 1 . . . . . 35 GLU N B 27731 1 361 . 2 . 1 36 36 MET H H 1 6.964 0.006 . 1 . . . . . 36 MET H B 27731 1 362 . 2 . 1 36 36 MET CA C 13 54.706 0.031 . 1 . . . . . 36 MET CA B 27731 1 363 . 2 . 1 36 36 MET N N 15 120.732 0.058 . 1 . . . . . 36 MET N B 27731 1 364 . 2 . 1 37 37 ASN H H 1 8.641 0.006 . 6 . . . . . 37 ASN H . 27731 1 365 . 2 . 1 37 37 ASN CA C 13 52.637 0.031 . 6 . . . . . 37 ASN CA . 27731 1 366 . 2 . 1 37 37 ASN N N 15 118.768 0.058 . 6 . . . . . 37 ASN N . 27731 1 367 . 2 . 1 38 38 LEU H H 1 7.412 0.006 . 6 . . . . . 38 LEU H . 27731 1 368 . 2 . 1 38 38 LEU CA C 13 51.773 0.031 . 6 . . . . . 38 LEU CA . 27731 1 369 . 2 . 1 38 38 LEU N N 15 125.006 0.058 . 6 . . . . . 38 LEU N . 27731 1 370 . 2 . 1 40 40 GLY H H 1 8.386 0.006 . 6 . . . . . 40 GLY H . 27731 1 371 . 2 . 1 40 40 GLY CA C 13 44.281 0.031 . 6 . . . . . 40 GLY CA . 27731 1 372 . 2 . 1 40 40 GLY N N 15 106.075 0.058 . 6 . . . . . 40 GLY N . 27731 1 373 . 2 . 1 41 41 LYS H H 1 8.412 0.006 . 6 . . . . . 41 LYS H . 27731 1 374 . 2 . 1 41 41 LYS CA C 13 56.159 0.031 . 6 . . . . . 41 LYS CA . 27731 1 375 . 2 . 1 41 41 LYS N N 15 119.34 0.058 . 6 . . . . . 41 LYS N . 27731 1 376 . 2 . 1 42 42 TRP H H 1 7.38 0.006 . 6 . . . . . 42 TRP H . 27731 1 377 . 2 . 1 42 42 TRP CA C 13 53.702 0.031 . 6 . . . . . 42 TRP CA . 27731 1 378 . 2 . 1 42 42 TRP N N 15 117.768 0.058 . 6 . . . . . 42 TRP N . 27731 1 379 . 2 . 1 43 43 LYS H H 1 8.282 0.006 . 6 . . . . . 43 LYS H . 27731 1 380 . 2 . 1 43 43 LYS CA C 13 52.838 0.031 . 6 . . . . . 43 LYS CA . 27731 1 381 . 2 . 1 43 43 LYS N N 15 117.895 0.058 . 6 . . . . . 43 LYS N . 27731 1 382 . 2 . 1 44 44 PRO CA C 13 63.266 0.031 . 6 . . . . . 44 PRO CA . 27731 1 383 . 2 . 1 45 45 LYS H H 1 8.633 0.006 . 1 . . . . . 45 LYS H B 27731 1 384 . 2 . 1 45 45 LYS CA C 13 55.246 0.031 . 1 . . . . . 45 LYS CA B 27731 1 385 . 2 . 1 45 45 LYS N N 15 122.33 0.058 . 1 . . . . . 45 LYS N B 27731 1 386 . 2 . 1 46 46 MET H H 1 8.437 0.006 . 1 . . . . . 46 MET H B 27731 1 387 . 2 . 1 46 46 MET CA C 13 54.135 0.031 . 1 . . . . . 46 MET CA B 27731 1 388 . 2 . 1 46 46 MET N N 15 122.39 0.058 . 1 . . . . . 46 MET N B 27731 1 389 . 2 . 1 47 47 ILE H H 1 8.819 0.006 . 1 . . . . . 47 ILE H B 27731 1 390 . 2 . 1 47 47 ILE CA C 13 59.673 0.031 . 1 . . . . . 47 ILE CA B 27731 1 391 . 2 . 1 47 47 ILE N N 15 118.504 0.058 . 1 . . . . . 47 ILE N B 27731 1 392 . 2 . 1 48 48 VAL H H 1 8.411 0.006 . 1 . . . . . 48 VAL H B 27731 1 393 . 2 . 1 48 48 VAL CA C 13 61.291 0.031 . 1 . . . . . 48 VAL CA B 27731 1 394 . 2 . 1 48 48 VAL N N 15 120.919 0.058 . 1 . . . . . 48 VAL N B 27731 1 395 . 2 . 1 49 49 GLY H H 1 7.881 0.006 . 1 . . . . . 49 GLY H B 27731 1 396 . 2 . 1 49 49 GLY CA C 13 45.135 0.031 . 1 . . . . . 49 GLY CA B 27731 1 397 . 2 . 1 49 49 GLY N N 15 111.629 0.058 . 1 . . . . . 49 GLY N B 27731 1 398 . 2 . 1 52 52 GLY H H 1 7.26 0.006 . 1 . . . . . 52 GLY H B 27731 1 399 . 2 . 1 52 52 GLY CA C 13 44.367 0.031 . 1 . . . . . 52 GLY CA B 27731 1 400 . 2 . 1 52 52 GLY N N 15 105.229 0.058 . 1 . . . . . 52 GLY N B 27731 1 401 . 2 . 1 53 53 PHE H H 1 8.031 0.006 . 1 . . . . . 53 PHE H B 27731 1 402 . 2 . 1 53 53 PHE CA C 13 56.008 0.031 . 1 . . . . . 53 PHE CA B 27731 1 403 . 2 . 1 53 53 PHE N N 15 119.251 0.058 . 1 . . . . . 53 PHE N B 27731 1 404 . 2 . 1 54 54 ALA H H 1 9.002 0.006 . 1 . . . . . 54 ALA H B 27731 1 405 . 2 . 1 54 54 ALA CA C 13 51.108 0.031 . 1 . . . . . 54 ALA CA B 27731 1 406 . 2 . 1 54 54 ALA N N 15 121.701 0.058 . 1 . . . . . 54 ALA N B 27731 1 407 . 2 . 1 55 55 LYS H H 1 8.612 0.006 . 1 . . . . . 55 LYS H B 27731 1 408 . 2 . 1 55 55 LYS CA C 13 56.616 0.031 . 1 . . . . . 55 LYS CA B 27731 1 409 . 2 . 1 55 55 LYS N N 15 123.944 0.058 . 1 . . . . . 55 LYS N B 27731 1 410 . 2 . 1 56 56 VAL H H 1 8.755 0.006 . 1 . . . . . 56 VAL H B 27731 1 411 . 2 . 1 56 56 VAL CA C 13 58.344 0.031 . 1 . . . . . 56 VAL CA B 27731 1 412 . 2 . 1 56 56 VAL N N 15 116.443 0.058 . 1 . . . . . 56 VAL N B 27731 1 413 . 2 . 1 57 57 ARG H H 1 9.101 0.006 . 1 . . . . . 57 ARG H B 27731 1 414 . 2 . 1 57 57 ARG CA C 13 55.395 0.031 . 1 . . . . . 57 ARG CA B 27731 1 415 . 2 . 1 57 57 ARG N N 15 119.697 0.058 . 1 . . . . . 57 ARG N B 27731 1 416 . 2 . 1 58 58 GLN H H 1 9.77 0.006 . 1 . . . . . 58 GLN H B 27731 1 417 . 2 . 1 58 58 GLN CA C 13 56.217 0.031 . 1 . . . . . 58 GLN CA B 27731 1 418 . 2 . 1 58 58 GLN N N 15 123.649 0.058 . 1 . . . . . 58 GLN N B 27731 1 419 . 2 . 1 59 59 TYR H H 1 9.264 0.006 . 1 . . . . . 59 TYR H B 27731 1 420 . 2 . 1 59 59 TYR CA C 13 57.427 0.031 . 1 . . . . . 59 TYR CA B 27731 1 421 . 2 . 1 59 59 TYR N N 15 129.31 0.058 . 1 . . . . . 59 TYR N B 27731 1 422 . 2 . 1 60 60 ASP H H 1 8.98 0.006 . 1 . . . . . 60 ASP H B 27731 1 423 . 2 . 1 60 60 ASP CA C 13 53.732 0.031 . 1 . . . . . 60 ASP CA B 27731 1 424 . 2 . 1 60 60 ASP N N 15 120.499 0.058 . 1 . . . . . 60 ASP N B 27731 1 425 . 2 . 1 61 61 GLN H H 1 8.932 0.006 . 1 . . . . . 61 GLN H B 27731 1 426 . 2 . 1 61 61 GLN CA C 13 56.252 0.031 . 1 . . . . . 61 GLN CA B 27731 1 427 . 2 . 1 61 61 GLN N N 15 114.075 0.058 . 1 . . . . . 61 GLN N B 27731 1 428 . 2 . 1 62 62 ILE H H 1 8.769 0.006 . 1 . . . . . 62 ILE H B 27731 1 429 . 2 . 1 62 62 ILE CA C 13 55.188 0.031 . 1 . . . . . 62 ILE CA B 27731 1 430 . 2 . 1 62 62 ILE N N 15 122.309 0.058 . 1 . . . . . 62 ILE N B 27731 1 431 . 2 . 1 63 63 PRO CA C 13 61.901 0.031 . 6 . . . . . 63 PRO CA . 27731 1 432 . 2 . 1 64 64 ILE H H 1 8.857 0.006 . 6 . . . . . 64 ILE H . 27731 1 433 . 2 . 1 64 64 ILE CA C 13 59.256 0.031 . 6 . . . . . 64 ILE CA . 27731 1 434 . 2 . 1 64 64 ILE N N 15 123.699 0.058 . 6 . . . . . 64 ILE N . 27731 1 435 . 2 . 1 65 65 GLU H H 1 8.271 0.006 . 6 . . . . . 65 GLU H . 27731 1 436 . 2 . 1 65 65 GLU CA C 13 54.157 0.031 . 6 . . . . . 65 GLU CA . 27731 1 437 . 2 . 1 65 65 GLU N N 15 125.507 0.058 . 6 . . . . . 65 GLU N . 27731 1 438 . 2 . 1 66 66 ILE H H 1 9.197 0.006 . 6 . . . . . 66 ILE H . 27731 1 439 . 2 . 1 66 66 ILE CA C 13 60.355 0.031 . 6 . . . . . 66 ILE CA . 27731 1 440 . 2 . 1 66 66 ILE N N 15 125.149 0.058 . 6 . . . . . 66 ILE N . 27731 1 441 . 2 . 1 71 71 ALA CA C 13 50.88 0.031 . 6 . . . . . 71 ALA CA . 27731 1 442 . 2 . 1 72 72 ILE H H 1 8.449 0.006 . 6 . . . . . 72 ILE H . 27731 1 443 . 2 . 1 72 72 ILE CA C 13 60.011 0.031 . 6 . . . . . 72 ILE CA . 27731 1 444 . 2 . 1 72 72 ILE N N 15 119.49 0.058 . 6 . . . . . 72 ILE N . 27731 1 445 . 2 . 1 73 73 GLY H H 1 8.462 0.006 . 6 . . . . . 73 GLY H . 27731 1 446 . 2 . 1 73 73 GLY CA C 13 46.002 0.031 . 6 . . . . . 73 GLY CA . 27731 1 447 . 2 . 1 73 73 GLY N N 15 112.645 0.058 . 6 . . . . . 73 GLY N . 27731 1 448 . 2 . 1 74 74 THR H H 1 8.63 0.006 . 6 . . . . . 74 THR H . 27731 1 449 . 2 . 1 74 74 THR CA C 13 63.832 0.031 . 6 . . . . . 74 THR CA . 27731 1 450 . 2 . 1 74 74 THR N N 15 118.795 0.058 . 6 . . . . . 74 THR N . 27731 1 451 . 2 . 1 75 75 VAL H H 1 8.985 0.006 . 6 . . . . . 75 VAL H . 27731 1 452 . 2 . 1 75 75 VAL CA C 13 61.392 0.031 . 6 . . . . . 75 VAL CA . 27731 1 453 . 2 . 1 75 75 VAL N N 15 124.103 0.058 . 6 . . . . . 75 VAL N . 27731 1 454 . 2 . 1 76 76 LEU H H 1 8.417 0.006 . 6 . . . . . 76 LEU H . 27731 1 455 . 2 . 1 76 76 LEU CA C 13 52.3 0.031 . 6 . . . . . 76 LEU CA . 27731 1 456 . 2 . 1 76 76 LEU N N 15 125.159 0.058 . 6 . . . . . 76 LEU N . 27731 1 457 . 2 . 1 77 77 VAL H H 1 9.242 0.006 . 6 . . . . . 77 VAL H . 27731 1 458 . 2 . 1 77 77 VAL CA C 13 59.779 0.031 . 6 . . . . . 77 VAL CA . 27731 1 459 . 2 . 1 77 77 VAL N N 15 121.778 0.058 . 6 . . . . . 77 VAL N . 27731 1 460 . 2 . 1 78 78 GLY H H 1 8.993 0.006 . 6 . . . . . 78 GLY H . 27731 1 461 . 2 . 1 78 78 GLY CA C 13 45.524 0.031 . 6 . . . . . 78 GLY CA . 27731 1 462 . 2 . 1 78 78 GLY N N 15 115.593 0.058 . 6 . . . . . 78 GLY N . 27731 1 463 . 2 . 1 79 79 PRO CA C 13 62.975 0.031 . 6 . . . . . 79 PRO CA . 27731 1 464 . 2 . 1 80 80 THR H H 1 7.731 0.006 . 6 . . . . . 80 THR H . 27731 1 465 . 2 . 1 80 80 THR CA C 13 56.679 0.031 . 6 . . . . . 80 THR CA . 27731 1 466 . 2 . 1 80 80 THR N N 15 119.699 0.058 . 6 . . . . . 80 THR N . 27731 1 467 . 2 . 1 81 81 PRO CA C 13 63.587 0.031 . 6 . . . . . 81 PRO CA . 27731 1 468 . 2 . 1 82 82 ALA H H 1 7.467 0.006 . 1 . . . . . 82 ALA H B 27731 1 469 . 2 . 1 82 82 ALA CA C 13 51.136 0.031 . 1 . . . . . 82 ALA CA B 27731 1 470 . 2 . 1 82 82 ALA N N 15 119.648 0.058 . 1 . . . . . 82 ALA N B 27731 1 471 . 2 . 1 83 83 ASN H H 1 8.61 0.006 . 1 . . . . . 83 ASN H B 27731 1 472 . 2 . 1 83 83 ASN CA C 13 53.671 0.031 . 1 . . . . . 83 ASN CA B 27731 1 473 . 2 . 1 83 83 ASN N N 15 119.853 0.058 . 1 . . . . . 83 ASN N B 27731 1 474 . 2 . 1 84 84 ILE H H 1 9.725 0.006 . 1 . . . . . 84 ILE H B 27731 1 475 . 2 . 1 84 84 ILE CA C 13 61.278 0.031 . 1 . . . . . 84 ILE CA B 27731 1 476 . 2 . 1 84 84 ILE N N 15 127.222 0.058 . 1 . . . . . 84 ILE N B 27731 1 477 . 2 . 1 85 85 ILE H H 1 9.328 0.006 . 1 . . . . . 85 ILE H B 27731 1 478 . 2 . 1 85 85 ILE CA C 13 58.238 0.031 . 1 . . . . . 85 ILE CA B 27731 1 479 . 2 . 1 85 85 ILE N N 15 125.805 0.058 . 1 . . . . . 85 ILE N B 27731 1 480 . 2 . 1 86 86 GLY H H 1 8.10 0.006 . 1 . . . . . 86 GLY H B 27731 1 481 . 2 . 1 86 86 GLY CA C 13 43.477 0.031 . 1 . . . . . 86 GLY CA B 27731 1 482 . 2 . 1 86 86 GLY N N 15 112.679 0.058 . 1 . . . . . 86 GLY N B 27731 1 483 . 2 . 1 87 87 ARG H H 1 9.196 0.006 . 1 . . . . . 87 ARG H B 27731 1 484 . 2 . 1 87 87 ARG CA C 13 61.291 0.031 . 1 . . . . . 87 ARG CA B 27731 1 485 . 2 . 1 87 87 ARG N N 15 116.815 0.058 . 1 . . . . . 87 ARG N B 27731 1 486 . 2 . 1 88 88 ASN H H 1 7.914 0.006 . 1 . . . . . 88 ASN H B 27731 1 487 . 2 . 1 88 88 ASN CA C 13 56.735 0.031 . 1 . . . . . 88 ASN CA B 27731 1 488 . 2 . 1 88 88 ASN N N 15 115.121 0.058 . 1 . . . . . 88 ASN N B 27731 1 489 . 2 . 1 89 89 LEU H H 1 6.972 0.006 . 1 . . . . . 89 LEU H B 27731 1 490 . 2 . 1 89 89 LEU CA C 13 55.168 0.031 . 1 . . . . . 89 LEU CA B 27731 1 491 . 2 . 1 89 89 LEU N N 15 115.96 0.058 . 1 . . . . . 89 LEU N B 27731 1 492 . 2 . 1 90 90 LEU H H 1 8.349 0.006 . 6 . . . . . 90 LEU H . 27731 1 493 . 2 . 1 90 90 LEU CA C 13 57.901 0.031 . 6 . . . . . 90 LEU CA . 27731 1 494 . 2 . 1 90 90 LEU N N 15 120.155 0.058 . 6 . . . . . 90 LEU N . 27731 1 495 . 2 . 1 91 91 THR H H 1 7.787 0.006 . 6 . . . . . 91 THR H . 27731 1 496 . 2 . 1 91 91 THR CA C 13 63.518 0.031 . 6 . . . . . 91 THR CA . 27731 1 497 . 2 . 1 91 91 THR N N 15 105.999 0.058 . 6 . . . . . 91 THR N . 27731 1 498 . 2 . 1 92 92 GLN CA C 13 57.835 0.031 . 6 . . . . . 92 GLN CA . 27731 1 499 . 2 . 1 93 93 ILE H H 1 6.955 0.006 . 6 . . . . . 93 ILE H . 27731 1 500 . 2 . 1 93 93 ILE CA C 13 60.386 0.031 . 6 . . . . . 93 ILE CA . 27731 1 501 . 2 . 1 93 93 ILE N N 15 108.744 0.058 . 6 . . . . . 93 ILE N . 27731 1 502 . 2 . 1 94 94 GLY CA C 13 45.988 0.031 . 6 . . . . . 94 GLY CA . 27731 1 503 . 2 . 1 95 95 ALA H H 1 7.43 0.006 . 6 . . . . . 95 ALA H . 27731 1 504 . 2 . 1 95 95 ALA CA C 13 51.475 0.031 . 6 . . . . . 95 ALA CA . 27731 1 505 . 2 . 1 95 95 ALA N N 15 120.274 0.058 . 6 . . . . . 95 ALA N . 27731 1 506 . 2 . 1 96 96 THR CA C 13 59.387 0.031 . 6 . . . . . 96 THR CA . 27731 1 507 . 2 . 1 97 97 LEU H H 1 8.503 0.006 . 6 . . . . . 97 LEU H . 27731 1 508 . 2 . 1 97 97 LEU CA C 13 53.206 0.031 . 6 . . . . . 97 LEU CA . 27731 1 509 . 2 . 1 97 97 LEU N N 15 121.562 0.058 . 6 . . . . . 97 LEU N . 27731 1 510 . 2 . 1 98 98 ASN CA C 13 52.736 0.031 . 6 . . . . . 98 ASN CA . 27731 1 511 . 2 . 1 99 99 PHE H H 1 7.99 0.006 . 6 . . . . . 99 PHE H . 27731 1 512 . 2 . 1 99 99 PHE CA C 13 58.996 0.031 . 6 . . . . . 99 PHE CA . 27731 1 513 . 2 . 1 99 99 PHE N N 15 121.892 0.058 . 6 . . . . . 99 PHE N . 27731 1 stop_ save_