################################### # 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 27377 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.014 _Assigned_chem_shift_list.Chem_shift_15N_err 0.017 _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 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' . . . 27377 1 2 '3D HNCA' . . . 27377 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 $TOPSPIN . . 27377 1 2 $NMRPipe . . 27377 1 3 $NMRDraw . . 27377 1 4 $Analysis . . 27377 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 PRO CA C 13 62.03 0.014 . 6 . . . . . 1 Pro CA . 27377 1 2 . 1 1 2 2 GLN H H 1 8.533 0.002 . 6 . . . . . 2 Gln H . 27377 1 3 . 1 1 2 2 GLN CA C 13 55.578 0.014 . 6 . . . . . 2 Gln CA . 27377 1 4 . 1 1 2 2 GLN N N 15 120.394 0.017 . 6 . . . . . 2 Gln N . 27377 1 5 . 1 1 3 3 ILE H H 1 9.414 0.002 . 6 . . . . . 3 Ile H . 27377 1 6 . 1 1 3 3 ILE CA C 13 60.527 0.014 . 6 . . . . . 3 Ile CA . 27377 1 7 . 1 1 3 3 ILE N N 15 127.791 0.017 . 6 . . . . . 3 Ile N . 27377 1 8 . 1 1 4 4 THR H H 1 8.335 0.002 . 6 . . . . . 4 Thr H . 27377 1 9 . 1 1 4 4 THR CA C 13 60.838 0.014 . 6 . . . . . 4 Thr CA . 27377 1 10 . 1 1 4 4 THR N N 15 115.458 0.017 . 6 . . . . . 4 Thr N . 27377 1 11 . 1 1 5 5 LEU H H 1 9.141 0.002 . 6 . . . . . 5 Leu H . 27377 1 12 . 1 1 5 5 LEU CA C 13 54.1 0.014 . 6 . . . . . 5 Leu CA . 27377 1 13 . 1 1 5 5 LEU N N 15 116.936 0.017 . 6 . . . . . 5 Leu N . 27377 1 14 . 1 1 6 6 TRP H H 1 7.329 0.002 . 6 . . . . . 6 Trp H . 27377 1 15 . 1 1 6 6 TRP CA C 13 59.037 0.014 . 6 . . . . . 6 Trp CA . 27377 1 16 . 1 1 6 6 TRP N N 15 120.782 0.017 . 6 . . . . . 6 Trp N . 27377 1 17 . 1 1 7 7 LYS H H 1 7.469 0.002 . 6 . . . . . 7 Lys H . 27377 1 18 . 1 1 7 7 LYS CA C 13 53.533 0.014 . 6 . . . . . 7 Lys CA . 27377 1 19 . 1 1 7 7 LYS N N 15 115.228 0.017 . 6 . . . . . 7 Lys N . 27377 1 20 . 1 1 8 8 ARG H H 1 8.749 0.002 . 6 . . . . . 8 Arg H . 27377 1 21 . 1 1 8 8 ARG CA C 13 56.179 0.014 . 6 . . . . . 8 Arg CA . 27377 1 22 . 1 1 8 8 ARG N N 15 120.432 0.017 . 6 . . . . . 8 Arg N . 27377 1 23 . 1 1 9 9 PRO CA C 13 61.677 0.014 . 6 . . . . . 9 Pro CA . 27377 1 24 . 1 1 10 10 ILE H H 1 7.611 0.002 . 6 . . . . . 10 Ile H . 27377 1 25 . 1 1 10 10 ILE CA C 13 59.462 0.014 . 6 . . . . . 10 Ile CA . 27377 1 26 . 1 1 10 10 ILE N N 15 126.659 0.017 . 6 . . . . . 10 Ile N . 27377 1 27 . 1 1 11 11 VAL H H 1 9.11 0.002 . 6 . . . . . 11 Val H . 27377 1 28 . 1 1 11 11 VAL CA C 13 58.481 0.014 . 6 . . . . . 11 Val CA . 27377 1 29 . 1 1 11 11 VAL N N 15 120.09 0.017 . 6 . . . . . 11 Val N . 27377 1 30 . 1 1 12 12 THR H H 1 8.486 0.002 . 6 . . . . . 12 Thr H . 27377 1 31 . 1 1 12 12 THR CA C 13 62.724 0.014 . 6 . . . . . 12 Thr CA . 27377 1 32 . 1 1 12 12 THR N N 15 116.264 0.017 . 6 . . . . . 12 Thr N . 27377 1 33 . 1 1 13 13 ILE H H 1 9.286 0.002 . 6 . . . . . 13 Ile H . 27377 1 34 . 1 1 13 13 ILE CA C 13 58.015 0.014 . 6 . . . . . 13 Ile CA . 27377 1 35 . 1 1 13 13 ILE N N 15 120.665 0.017 . 6 . . . . . 13 Ile N . 27377 1 36 . 1 1 14 14 ARG H H 1 8.593 0.002 . 6 . . . . . 14 Arg H . 27377 1 37 . 1 1 14 14 ARG CA C 13 54.661 0.014 . 6 . . . . . 14 Arg CA . 27377 1 38 . 1 1 14 14 ARG N N 15 120.529 0.017 . 6 . . . . . 14 Arg N . 27377 1 39 . 1 1 15 15 ILE H H 1 8.913 0.002 . 6 . . . . . 15 Ile H . 27377 1 40 . 1 1 15 15 ILE CA C 13 59.171 0.014 . 6 . . . . . 15 Ile CA . 27377 1 41 . 1 1 15 15 ILE N N 15 124.786 0.017 . 6 . . . . . 15 Ile N . 27377 1 42 . 1 1 16 16 GLY H H 1 9.732 0.002 . 6 . . . . . 16 Gly H . 27377 1 43 . 1 1 16 16 GLY CA C 13 46.913 0.014 . 6 . . . . . 16 Gly CA . 27377 1 44 . 1 1 16 16 GLY N N 15 118.152 0.017 . 6 . . . . . 16 Gly N . 27377 1 45 . 1 1 17 17 GLY H H 1 8.77 0.002 . 6 . . . . . 17 Gly H . 27377 1 46 . 1 1 17 17 GLY CA C 13 45.036 0.014 . 6 . . . . . 17 Gly CA . 27377 1 47 . 1 1 17 17 GLY N N 15 105.423 0.017 . 6 . . . . . 17 Gly N . 27377 1 48 . 1 1 18 18 GLN H H 1 7.985 0.002 . 6 . . . . . 18 Gln H . 27377 1 49 . 1 1 18 18 GLN CA C 13 54.275 0.014 . 6 . . . . . 18 Gln CA . 27377 1 50 . 1 1 18 18 GLN N N 15 119.978 0.017 . 6 . . . . . 18 Gln N . 27377 1 51 . 1 1 19 19 LEU H H 1 8.46 0.002 . 6 . . . . . 19 Leu H . 27377 1 52 . 1 1 19 19 LEU CA C 13 54.19 0.014 . 6 . . . . . 19 Leu CA . 27377 1 53 . 1 1 19 19 LEU N N 15 123.43 0.017 . 6 . . . . . 19 Leu N . 27377 1 54 . 1 1 20 20 LYS H H 1 9.001 0.002 . 6 . . . . . 20 Lys H . 27377 1 55 . 1 1 20 20 LYS CA C 13 54.165 0.014 . 6 . . . . . 20 Lys CA . 27377 1 56 . 1 1 20 20 LYS N N 15 123.395 0.017 . 6 . . . . . 20 Lys N . 27377 1 57 . 1 1 21 21 GLU H H 1 8.593 0.002 . 6 . . . . . 21 Glu H . 27377 1 58 . 1 1 21 21 GLU CA C 13 55.142 0.014 . 6 . . . . . 21 Glu CA . 27377 1 59 . 1 1 21 21 GLU N N 15 119.554 0.017 . 6 . . . . . 21 Glu N . 27377 1 60 . 1 1 22 22 ALA H H 1 9.248 0.002 . 1 . . . . . 22 Ala H A 27377 1 61 . 1 1 22 22 ALA CA C 13 50.837 0.014 . 1 . . . . . 22 Ala CA A 27377 1 62 . 1 1 22 22 ALA N N 15 123.731 0.017 . 1 . . . . . 22 Ala N A 27377 1 63 . 1 1 24 24 LEU H H 1 8.407 0.002 . 1 . . . . . 24 Leu H A 27377 1 64 . 1 1 24 24 LEU CA C 13 55.582 0.014 . 1 . . . . . 24 Leu CA A 27377 1 65 . 1 1 24 24 LEU N N 15 124.603 0.017 . 1 . . . . . 24 Leu N A 27377 1 66 . 1 1 25 25 ASP H H 1 8.737 0.002 . 1 . . . . . 25 Asp H A 27377 1 67 . 1 1 25 25 ASP CA C 13 52.297 0.014 . 1 . . . . . 25 Asp CA A 27377 1 68 . 1 1 25 25 ASP N N 15 128.68 0.017 . 1 . . . . . 25 Asp N A 27377 1 69 . 1 1 26 26 THR H H 1 8.194 0.002 . 1 . . . . . 26 Thr H A 27377 1 70 . 1 1 26 26 THR CA C 13 65.499 0.014 . 1 . . . . . 26 Thr CA A 27377 1 71 . 1 1 26 26 THR N N 15 110.967 0.017 . 1 . . . . . 26 Thr N A 27377 1 72 . 1 1 27 27 GLY H H 1 7.906 0.002 . 1 . . . . . 27 Gly H A 27377 1 73 . 1 1 27 27 GLY CA C 13 45.161 0.014 . 1 . . . . . 27 Gly CA A 27377 1 74 . 1 1 27 27 GLY N N 15 108.871 0.017 . 1 . . . . . 27 Gly N A 27377 1 75 . 1 1 28 28 ALA H H 1 7.506 0.002 . 1 . . . . . 28 Ala H A 27377 1 76 . 1 1 28 28 ALA CA C 13 50.098 0.014 . 1 . . . . . 28 Ala CA A 27377 1 77 . 1 1 28 28 ALA N N 15 126.265 0.017 . 1 . . . . . 28 Ala N A 27377 1 78 . 1 1 29 29 ASP H H 1 8.63 0.002 . 1 . . . . . 29 Asp H A 27377 1 79 . 1 1 29 29 ASP CA C 13 57.724 0.014 . 1 . . . . . 29 Asp CA A 27377 1 80 . 1 1 29 29 ASP N N 15 125.988 0.017 . 1 . . . . . 29 Asp N A 27377 1 81 . 1 1 30 30 ASP H H 1 7.626 0.002 . 1 . . . . . 30 Asp H A 27377 1 82 . 1 1 30 30 ASP CA C 13 52.84 0.014 . 1 . . . . . 30 Asp CA A 27377 1 83 . 1 1 30 30 ASP N N 15 115.925 0.017 . 1 . . . . . 30 Asp N A 27377 1 84 . 1 1 31 31 THR H H 1 8.295 0.002 . 1 . . . . . 31 Thr H A 27377 1 85 . 1 1 31 31 THR CA C 13 63.101 0.014 . 1 . . . . . 31 Thr CA A 27377 1 86 . 1 1 31 31 THR N N 15 117.259 0.017 . 1 . . . . . 31 Thr N A 27377 1 87 . 1 1 32 32 VAL H H 1 8.229 0.002 . 1 . . . . . 32 Val H A 27377 1 88 . 1 1 32 32 VAL CA C 13 60.296 0.014 . 1 . . . . . 32 Val CA A 27377 1 89 . 1 1 32 32 VAL N N 15 127.948 0.017 . 1 . . . . . 32 Val N A 27377 1 90 . 1 1 33 33 ILE H H 1 9.213 0.002 . 1 . . . . . 33 Ile H A 27377 1 91 . 1 1 33 33 ILE CA C 13 57.141 0.014 . 1 . . . . . 33 Ile CA A 27377 1 92 . 1 1 33 33 ILE N N 15 125.259 0.017 . 1 . . . . . 33 Ile N A 27377 1 93 . 1 1 34 34 GLU H H 1 8.055 0.002 . 1 . . . . . 34 Glu H A 27377 1 94 . 1 1 34 34 GLU CA C 13 55.321 0.014 . 1 . . . . . 34 Glu CA A 27377 1 95 . 1 1 34 34 GLU N N 15 119.758 0.017 . 1 . . . . . 34 Glu N A 27377 1 96 . 1 1 35 35 GLU H H 1 7.573 0.002 . 1 . . . . . 35 Glu H A 27377 1 97 . 1 1 35 35 GLU CA C 13 58.14 0.014 . 1 . . . . . 35 Glu CA A 27377 1 98 . 1 1 35 35 GLU N N 15 115.292 0.017 . 1 . . . . . 35 Glu N A 27377 1 99 . 1 1 36 36 MET H H 1 7.037 0.002 . 1 . . . . . 36 Met H A 27377 1 100 . 1 1 36 36 MET CA C 13 54.689 0.014 . 1 . . . . . 36 Met CA A 27377 1 101 . 1 1 36 36 MET N N 15 120.415 0.017 . 1 . . . . . 36 Met N A 27377 1 102 . 1 1 37 37 ASN H H 1 8.628 0.002 . 6 . . . . . 37 Asn H . 27377 1 103 . 1 1 37 37 ASN CA C 13 52.683 0.014 . 6 . . . . . 37 Asn CA . 27377 1 104 . 1 1 37 37 ASN N N 15 118.709 0.017 . 6 . . . . . 37 Asn N . 27377 1 105 . 1 1 38 38 LEU H H 1 7.284 0.002 . 6 . . . . . 38 Leu H . 27377 1 106 . 1 1 38 38 LEU CA C 13 51.875 0.014 . 6 . . . . . 38 Leu CA . 27377 1 107 . 1 1 38 38 LEU N N 15 124.626 0.017 . 6 . . . . . 38 Leu N . 27377 1 108 . 1 1 39 39 PRO CA C 13 62.701 0.014 . 6 . . . . . 39 Pro CA . 27377 1 109 . 1 1 40 40 GLY H H 1 8.36 0.002 . 6 . . . . . 40 Gly H . 27377 1 110 . 1 1 40 40 GLY CA C 13 44.309 0.014 . 6 . . . . . 40 Gly CA . 27377 1 111 . 1 1 40 40 GLY N N 15 106.18 0.017 . 6 . . . . . 40 Gly N . 27377 1 112 . 1 1 41 41 LYS H H 1 8.395 0.002 . 6 . . . . . 41 Lys H . 27377 1 113 . 1 1 41 41 LYS CA C 13 56.21 0.014 . 6 . . . . . 41 Lys CA . 27377 1 114 . 1 1 41 41 LYS N N 15 119.226 0.017 . 6 . . . . . 41 Lys N . 27377 1 115 . 1 1 42 42 TRP H H 1 7.405 0.002 . 6 . . . . . 42 Trp H . 27377 1 116 . 1 1 42 42 TRP CA C 13 53.874 0.014 . 6 . . . . . 42 Trp CA . 27377 1 117 . 1 1 42 42 TRP N N 15 118.647 0.017 . 6 . . . . . 42 Trp N . 27377 1 118 . 1 1 43 43 LYS H H 1 8.491 0.002 . 6 . . . . . 43 Lys H . 27377 1 119 . 1 1 43 43 LYS CA C 13 52.934 0.014 . 6 . . . . . 43 Lys CA . 27377 1 120 . 1 1 43 43 LYS N N 15 118.073 0.017 . 6 . . . . . 43 Lys N . 27377 1 121 . 1 1 44 44 PRO CA C 13 63.01 0.014 . 6 . . . . . 44 Pro CA . 27377 1 122 . 1 1 45 45 LYS H H 1 8.554 0.002 . 1 . . . . . 45 Lys H A 27377 1 123 . 1 1 45 45 LYS CA C 13 55.607 0.014 . 1 . . . . . 45 Lys CA A 27377 1 124 . 1 1 45 45 LYS N N 15 122.379 0.017 . 1 . . . . . 45 Lys N A 27377 1 125 . 1 1 46 46 MET H H 1 8.527 0.002 . 1 . . . . . 46 Met H A 27377 1 126 . 1 1 46 46 MET CA C 13 53.741 0.014 . 1 . . . . . 46 Met CA A 27377 1 127 . 1 1 46 46 MET N N 15 122.574 0.017 . 1 . . . . . 46 Met N A 27377 1 128 . 1 1 47 47 ILE H H 1 8.854 0.002 . 1 . . . . . 47 Ile H A 27377 1 129 . 1 1 47 47 ILE CA C 13 59.172 0.014 . 1 . . . . . 47 Ile CA A 27377 1 130 . 1 1 47 47 ILE N N 15 118.261 0.017 . 1 . . . . . 47 Ile N A 27377 1 131 . 1 1 48 48 VAL H H 1 8.068 0.002 . 1 . . . . . 48 Val H A 27377 1 132 . 1 1 48 48 VAL CA C 13 61.066 0.014 . 1 . . . . . 48 Val CA A 27377 1 133 . 1 1 48 48 VAL N N 15 121.072 0.017 . 1 . . . . . 48 Val N A 27377 1 134 . 1 1 49 49 GLY H H 1 7.643 0.002 . 1 . . . . . 49 Gly H A 27377 1 135 . 1 1 49 49 GLY CA C 13 43.1 0.014 . 1 . . . . . 49 Gly CA A 27377 1 136 . 1 1 49 49 GLY N N 15 109.155 0.017 . 1 . . . . . 49 Gly N A 27377 1 137 . 1 1 50 50 ILE H H 1 8.91 0.002 . 1 . . . . . 50 Ile H A 27377 1 138 . 1 1 50 50 ILE CA C 13 64.812 0.014 . 1 . . . . . 50 Ile CA A 27377 1 139 . 1 1 50 50 ILE N N 15 120.623 0.017 . 1 . . . . . 50 Ile N A 27377 1 140 . 1 1 51 51 GLY H H 1 8.108 0.002 . 1 . . . . . 51 Gly H A 27377 1 141 . 1 1 51 51 GLY N N 15 103.614 0.017 . 1 . . . . . 51 Gly N A 27377 1 142 . 1 1 52 52 GLY H H 1 7.062 0.002 . 1 . . . . . 52 Gly H A 27377 1 143 . 1 1 52 52 GLY CA C 13 44.133 0.014 . 1 . . . . . 52 Gly CA A 27377 1 144 . 1 1 52 52 GLY N N 15 106.842 0.017 . 1 . . . . . 52 Gly N A 27377 1 145 . 1 1 53 53 PHE H H 1 8.217 0.002 . 1 . . . . . 53 Phe H A 27377 1 146 . 1 1 53 53 PHE CA C 13 57.001 0.014 . 1 . . . . . 53 Phe CA A 27377 1 147 . 1 1 53 53 PHE N N 15 118.106 0.017 . 1 . . . . . 53 Phe N A 27377 1 148 . 1 1 54 54 VAL H H 1 9.072 0.002 . 1 . . . . . 54 Val H A 27377 1 149 . 1 1 54 54 VAL CA C 13 60.704 0.014 . 1 . . . . . 54 Val CA A 27377 1 150 . 1 1 54 54 VAL N N 15 117.424 0.017 . 1 . . . . . 54 Val N A 27377 1 151 . 1 1 55 55 LYS H H 1 8.369 0.002 . 1 . . . . . 55 Lys H A 27377 1 152 . 1 1 55 55 LYS CA C 13 56.249 0.014 . 1 . . . . . 55 Lys CA A 27377 1 153 . 1 1 55 55 LYS N N 15 125.667 0.017 . 1 . . . . . 55 Lys N A 27377 1 154 . 1 1 56 56 VAL H H 1 9.075 0.002 . 1 . . . . . 56 Val H A 27377 1 155 . 1 1 56 56 VAL CA C 13 58.405 0.014 . 1 . . . . . 56 Val CA A 27377 1 156 . 1 1 56 56 VAL N N 15 116.815 0.017 . 1 . . . . . 56 Val N A 27377 1 157 . 1 1 57 57 ARG H H 1 8.699 0.002 . 1 . . . . . 57 Arg H A 27377 1 158 . 1 1 57 57 ARG CA C 13 55.79 0.014 . 1 . . . . . 57 Arg CA A 27377 1 159 . 1 1 57 57 ARG N N 15 118.532 0.017 . 1 . . . . . 57 Arg N A 27377 1 160 . 1 1 58 58 GLN H H 1 9.649 0.002 . 1 . . . . . 58 Gln H A 27377 1 161 . 1 1 58 58 GLN CA C 13 55.862 0.014 . 1 . . . . . 58 Gln CA A 27377 1 162 . 1 1 58 58 GLN N N 15 123.693 0.017 . 1 . . . . . 58 Gln N A 27377 1 163 . 1 1 59 59 TYR H H 1 9.203 0.002 . 1 . . . . . 59 Tyr H A 27377 1 164 . 1 1 59 59 TYR CA C 13 57.281 0.014 . 1 . . . . . 59 Tyr CA A 27377 1 165 . 1 1 59 59 TYR N N 15 129.125 0.017 . 1 . . . . . 59 Tyr N A 27377 1 166 . 1 1 60 60 ASP H H 1 8.862 0.002 . 1 . . . . . 60 Asp H A 27377 1 167 . 1 1 60 60 ASP CA C 13 53.807 0.014 . 1 . . . . . 60 Asp CA A 27377 1 168 . 1 1 60 60 ASP N N 15 121.154 0.017 . 1 . . . . . 60 Asp N A 27377 1 169 . 1 1 61 61 GLN H H 1 8.979 0.002 . 1 . . . . . 61 Gln H A 27377 1 170 . 1 1 61 61 GLN CA C 13 56.294 0.014 . 1 . . . . . 61 Gln CA A 27377 1 171 . 1 1 61 61 GLN N N 15 114.149 0.017 . 1 . . . . . 61 Gln N A 27377 1 172 . 1 1 62 62 ILE H H 1 8.763 0.002 . 1 . . . . . 62 Ile H A 27377 1 173 . 1 1 62 62 ILE CA C 13 55.296 0.014 . 1 . . . . . 62 Ile CA A 27377 1 174 . 1 1 62 62 ILE N N 15 122.159 0.017 . 1 . . . . . 62 Ile N A 27377 1 175 . 1 1 63 63 PRO CA C 13 61.873 0.014 . 6 . . . . . 63 Pro CA . 27377 1 176 . 1 1 64 64 ILE H H 1 8.838 0.002 . 6 . . . . . 64 Ile H . 27377 1 177 . 1 1 64 64 ILE CA C 13 59.483 0.014 . 6 . . . . . 64 Ile CA . 27377 1 178 . 1 1 64 64 ILE N N 15 123.341 0.017 . 6 . . . . . 64 Ile N . 27377 1 179 . 1 1 65 65 GLU H H 1 8.288 0.002 . 6 . . . . . 65 Glu H . 27377 1 180 . 1 1 65 65 GLU CA C 13 54.212 0.014 . 6 . . . . . 65 Glu CA . 27377 1 181 . 1 1 65 65 GLU N N 15 125.49 0.017 . 6 . . . . . 65 Glu N . 27377 1 182 . 1 1 66 66 ILE H H 1 9.161 0.002 . 6 . . . . . 66 Ile H . 27377 1 183 . 1 1 66 66 ILE CA C 13 60.307 0.014 . 6 . . . . . 66 Ile CA . 27377 1 184 . 1 1 66 66 ILE N N 15 124.98 0.017 . 6 . . . . . 66 Ile N . 27377 1 185 . 1 1 67 67 ALA H H 1 9.02 0.002 . 6 . . . . . 67 Ala H . 27377 1 186 . 1 1 67 67 ALA CA C 13 53.223 0.014 . 6 . . . . . 67 Ala CA . 27377 1 187 . 1 1 67 67 ALA N N 15 131.025 0.017 . 6 . . . . . 67 Ala N . 27377 1 188 . 1 1 68 68 GLY H H 1 8.673 0.002 . 6 . . . . . 68 Gly H . 27377 1 189 . 1 1 68 68 GLY CA C 13 45.406 0.014 . 6 . . . . . 68 Gly CA . 27377 1 190 . 1 1 68 68 GLY N N 15 103.011 0.017 . 6 . . . . . 68 Gly N . 27377 1 191 . 1 1 69 69 HIS H H 1 8.296 0.002 . 6 . . . . . 69 His H . 27377 1 192 . 1 1 69 69 HIS CA C 13 54.516 0.014 . 6 . . . . . 69 His CA . 27377 1 193 . 1 1 69 69 HIS N N 15 119.388 0.017 . 6 . . . . . 69 His N . 27377 1 194 . 1 1 70 70 LYS H H 1 8.985 0.002 . 6 . . . . . 70 Lys H . 27377 1 195 . 1 1 70 70 LYS CA C 13 57.713 0.014 . 6 . . . . . 70 Lys CA . 27377 1 196 . 1 1 70 70 LYS N N 15 125.434 0.017 . 6 . . . . . 70 Lys N . 27377 1 197 . 1 1 71 71 ALA H H 1 8.806 0.002 . 6 . . . . . 71 Ala H . 27377 1 198 . 1 1 71 71 ALA CA C 13 50.801 0.014 . 6 . . . . . 71 Ala CA . 27377 1 199 . 1 1 71 71 ALA N N 15 126.505 0.017 . 6 . . . . . 71 Ala N . 27377 1 200 . 1 1 72 72 ILE H H 1 8.482 0.002 . 6 . . . . . 72 Ile H . 27377 1 201 . 1 1 72 72 ILE CA C 13 60.018 0.014 . 6 . . . . . 72 Ile CA . 27377 1 202 . 1 1 72 72 ILE N N 15 119.345 0.017 . 6 . . . . . 72 Ile N . 27377 1 203 . 1 1 73 73 GLY H H 1 8.459 0.002 . 6 . . . . . 73 Gly H . 27377 1 204 . 1 1 73 73 GLY CA C 13 45.994 0.014 . 6 . . . . . 73 Gly CA . 27377 1 205 . 1 1 73 73 GLY N N 15 112.343 0.017 . 6 . . . . . 73 Gly N . 27377 1 206 . 1 1 74 74 THR H H 1 8.709 0.002 . 6 . . . . . 74 Thr H . 27377 1 207 . 1 1 74 74 THR CA C 13 63.436 0.014 . 6 . . . . . 74 Thr CA . 27377 1 208 . 1 1 74 74 THR N N 15 118.55 0.017 . 6 . . . . . 74 Thr N . 27377 1 209 . 1 1 75 75 VAL H H 1 9.26 0.002 . 6 . . . . . 75 Val H . 27377 1 210 . 1 1 75 75 VAL CA C 13 61.437 0.014 . 6 . . . . . 75 Val CA . 27377 1 211 . 1 1 75 75 VAL N N 15 126.911 0.017 . 6 . . . . . 75 Val N . 27377 1 212 . 1 1 76 76 LEU H H 1 8.36 0.002 . 6 . . . . . 76 Leu H . 27377 1 213 . 1 1 76 76 LEU CA C 13 52.226 0.014 . 6 . . . . . 76 Leu CA . 27377 1 214 . 1 1 76 76 LEU N N 15 125.157 0.017 . 6 . . . . . 76 Leu N . 27377 1 215 . 1 1 77 77 VAL H H 1 9.179 0.002 . 6 . . . . . 77 Val H . 27377 1 216 . 1 1 77 77 VAL CA C 13 59.853 0.014 . 6 . . . . . 77 Val CA . 27377 1 217 . 1 1 77 77 VAL N N 15 121.731 0.017 . 6 . . . . . 77 Val N . 27377 1 218 . 1 1 78 78 GLY H H 1 8.941 0.002 . 6 . . . . . 78 Gly H . 27377 1 219 . 1 1 78 78 GLY CA C 13 45.62 0.014 . 6 . . . . . 78 Gly CA . 27377 1 220 . 1 1 78 78 GLY N N 15 115.694 0.017 . 6 . . . . . 78 Gly N . 27377 1 221 . 1 1 79 79 PRO CA C 13 63.043 0.014 . 6 . . . . . 79 Pro CA . 27377 1 222 . 1 1 80 80 THR H H 1 7.727 0.002 . 6 . . . . . 80 Thr H . 27377 1 223 . 1 1 80 80 THR CA C 13 56.557 0.014 . 6 . . . . . 80 Thr CA . 27377 1 224 . 1 1 80 80 THR N N 15 119.799 0.017 . 6 . . . . . 80 Thr N . 27377 1 225 . 1 1 81 81 PRO CA C 13 63.604 0.014 . 6 . . . . . 81 Pro CA . 27377 1 226 . 1 1 82 82 ALA H H 1 7.473 0.002 . 1 . . . . . 82 Ala H A 27377 1 227 . 1 1 82 82 ALA CA C 13 51.156 0.014 . 1 . . . . . 82 Ala CA A 27377 1 228 . 1 1 82 82 ALA N N 15 119.603 0.017 . 1 . . . . . 82 Ala N A 27377 1 229 . 1 1 83 83 ASN H H 1 8.616 0.002 . 1 . . . . . 83 Asn H A 27377 1 230 . 1 1 83 83 ASN CA C 13 53.601 0.014 . 1 . . . . . 83 Asn CA A 27377 1 231 . 1 1 83 83 ASN N N 15 121.203 0.017 . 1 . . . . . 83 Asn N A 27377 1 232 . 1 1 84 84 ILE H H 1 9.47 0.002 . 1 . . . . . 84 Ile H A 27377 1 233 . 1 1 84 84 ILE CA C 13 59.577 0.014 . 1 . . . . . 84 Ile CA A 27377 1 234 . 1 1 84 84 ILE N N 15 120.557 0.017 . 1 . . . . . 84 Ile N A 27377 1 235 . 1 1 85 85 ILE H H 1 8.764 0.002 . 1 . . . . . 85 Ile H A 27377 1 236 . 1 1 85 85 ILE CA C 13 57.796 0.014 . 1 . . . . . 85 Ile CA A 27377 1 237 . 1 1 85 85 ILE N N 15 121.904 0.017 . 1 . . . . . 85 Ile N A 27377 1 238 . 1 1 86 86 GLY H H 1 8.132 0.002 . 1 . . . . . 86 Gly H A 27377 1 239 . 1 1 86 86 GLY CA C 13 43.48 0.014 . 1 . . . . . 86 Gly CA A 27377 1 240 . 1 1 86 86 GLY N N 15 113.749 0.017 . 1 . . . . . 86 Gly N A 27377 1 241 . 1 1 87 87 ARG H H 1 9.378 0.002 . 1 . . . . . 87 Arg H A 27377 1 242 . 1 1 87 87 ARG CA C 13 61.283 0.014 . 1 . . . . . 87 Arg CA A 27377 1 243 . 1 1 87 87 ARG N N 15 116.792 0.017 . 1 . . . . . 87 Arg N A 27377 1 244 . 1 1 88 88 ASN H H 1 7.998 0.002 . 1 . . . . . 88 Asn H A 27377 1 245 . 1 1 88 88 ASN CA C 13 56.956 0.014 . 1 . . . . . 88 Asn CA A 27377 1 246 . 1 1 88 88 ASN N N 15 115.886 0.017 . 1 . . . . . 88 Asn N A 27377 1 247 . 1 1 89 89 LEU H H 1 6.92 0.002 . 1 . . . . . 89 Leu H A 27377 1 248 . 1 1 89 89 LEU CA C 13 55.2 0.014 . 1 . . . . . 89 Leu CA A 27377 1 249 . 1 1 89 89 LEU N N 15 116.568 0.017 . 1 . . . . . 89 Leu N A 27377 1 250 . 1 1 90 90 LEU H H 1 8.251 0.002 . 6 . . . . . 90 Leu H . 27377 1 251 . 1 1 90 90 LEU CA C 13 57.853 0.014 . 6 . . . . . 90 Leu CA . 27377 1 252 . 1 1 90 90 LEU N N 15 120.345 0.017 . 6 . . . . . 90 Leu N . 27377 1 253 . 1 1 91 91 THR H H 1 7.853 0.002 . 6 . . . . . 91 Thr H . 27377 1 254 . 1 1 91 91 THR CA C 13 63.556 0.014 . 6 . . . . . 91 Thr CA . 27377 1 255 . 1 1 91 91 THR N N 15 106.22 0.017 . 6 . . . . . 91 Thr N . 27377 1 256 . 1 1 92 92 GLN H H 1 6.68 0.002 . 6 . . . . . 92 Gln H . 27377 1 257 . 1 1 92 92 GLN CA C 13 57.835 0.014 . 6 . . . . . 92 Gln CA . 27377 1 258 . 1 1 92 92 GLN N N 15 120.052 0.017 . 6 . . . . . 92 Gln N . 27377 1 259 . 1 1 93 93 ILE H H 1 6.938 0.002 . 6 . . . . . 93 Ile H . 27377 1 260 . 1 1 93 93 ILE CA C 13 60.436 0.014 . 6 . . . . . 93 Ile CA . 27377 1 261 . 1 1 93 93 ILE N N 15 108.65 0.017 . 6 . . . . . 93 Ile N . 27377 1 262 . 1 1 94 94 GLY H H 1 7.217 0.002 . 6 . . . . . 94 Gly H . 27377 1 263 . 1 1 94 94 GLY CA C 13 45.955 0.014 . 6 . . . . . 94 Gly CA . 27377 1 264 . 1 1 94 94 GLY N N 15 108.139 0.017 . 6 . . . . . 94 Gly N . 27377 1 265 . 1 1 95 95 ALA H H 1 7.485 0.002 . 6 . . . . . 95 Ala H . 27377 1 266 . 1 1 95 95 ALA CA C 13 51.49 0.014 . 6 . . . . . 95 Ala CA . 27377 1 267 . 1 1 95 95 ALA N N 15 120.376 0.017 . 6 . . . . . 95 Ala N . 27377 1 268 . 1 1 96 96 THR H H 1 9.013 0.002 . 6 . . . . . 96 Thr H . 27377 1 269 . 1 1 96 96 THR CA C 13 59.452 0.014 . 6 . . . . . 96 Thr CA . 27377 1 270 . 1 1 96 96 THR N N 15 108.952 0.017 . 6 . . . . . 96 Thr N . 27377 1 271 . 1 1 97 97 LEU H H 1 8.544 0.002 . 6 . . . . . 97 Leu H . 27377 1 272 . 1 1 97 97 LEU CA C 13 53.326 0.014 . 6 . . . . . 97 Leu CA . 27377 1 273 . 1 1 97 97 LEU N N 15 121.333 0.017 . 6 . . . . . 97 Leu N . 27377 1 274 . 1 1 98 98 ASN H H 1 8.926 0.002 . 6 . . . . . 98 Asn H . 27377 1 275 . 1 1 98 98 ASN CA C 13 52.844 0.014 . 6 . . . . . 98 Asn CA . 27377 1 276 . 1 1 98 98 ASN N N 15 121.734 0.017 . 6 . . . . . 98 Asn N . 27377 1 277 . 1 1 99 99 PHE H H 1 8.022 0.002 . 6 . . . . . 99 Phe H . 27377 1 278 . 1 1 99 99 PHE CA C 13 58.954 0.014 . 6 . . . . . 99 Phe CA . 27377 1 279 . 1 1 99 99 PHE N N 15 122.135 0.017 . 6 . . . . . 99 Phe N . 27377 1 280 . 2 1 2 2 GLN CA C 13 55.52 0.014 . 6 . . . . . 2 Gln CA . 27377 1 281 . 2 1 3 3 ILE H H 1 9.459 0.002 . 6 . . . . . 3 Ile H . 27377 1 282 . 2 1 3 3 ILE CA C 13 55.481 0.014 . 6 . . . . . 3 Ile CA . 27377 1 283 . 2 1 3 3 ILE N N 15 127.724 0.017 . 6 . . . . . 3 Ile N . 27377 1 284 . 2 1 8 8 ARG H H 1 8.803 0.002 . 6 . . . . . 8 Arg H . 27377 1 285 . 2 1 8 8 ARG CA C 13 56.175 0.014 . 6 . . . . . 8 Arg CA . 27377 1 286 . 2 1 8 8 ARG N N 15 120.992 0.017 . 6 . . . . . 8 Arg N . 27377 1 287 . 2 1 9 9 PRO CA C 13 61.675 0.014 . 6 . . . . . 9 Pro CA . 27377 1 288 . 2 1 10 10 ILE H H 1 7.594 0.002 . 6 . . . . . 10 Ile H . 27377 1 289 . 2 1 10 10 ILE CA C 13 59.207 0.014 . 6 . . . . . 10 Ile CA . 27377 1 290 . 2 1 10 10 ILE N N 15 126.87 0.017 . 6 . . . . . 10 Ile N . 27377 1 291 . 2 1 11 11 VAL H H 1 9.168 0.002 . 6 . . . . . 11 Val H . 27377 1 292 . 2 1 11 11 VAL CA C 13 58.412 0.014 . 6 . . . . . 11 Val CA . 27377 1 293 . 2 1 11 11 VAL N N 15 119.997 0.017 . 6 . . . . . 11 Val N . 27377 1 294 . 2 1 12 12 THR H H 1 8.515 0.002 . 6 . . . . . 12 Thr H . 27377 1 295 . 2 1 12 12 THR CA C 13 62.727 0.014 . 6 . . . . . 12 Thr CA . 27377 1 296 . 2 1 12 12 THR N N 15 116.357 0.017 . 6 . . . . . 12 Thr N . 27377 1 297 . 2 1 13 13 ILE H H 1 9.265 0.002 . 6 . . . . . 13 Ile H . 27377 1 298 . 2 1 13 13 ILE CA C 13 57.967 0.014 . 6 . . . . . 13 Ile CA . 27377 1 299 . 2 1 13 13 ILE N N 15 120.862 0.017 . 6 . . . . . 13 Ile N . 27377 1 300 . 2 1 14 14 ARG H H 1 8.548 0.002 . 6 . . . . . 14 Arg H . 27377 1 301 . 2 1 14 14 ARG CA C 13 54.628 0.014 . 6 . . . . . 14 Arg CA . 27377 1 302 . 2 1 14 14 ARG N N 15 121.102 0.017 . 6 . . . . . 14 Arg N . 27377 1 303 . 2 1 15 15 ILE H H 1 8.932 0.002 . 6 . . . . . 15 Ile H . 27377 1 304 . 2 1 15 15 ILE CA C 13 59.172 0.014 . 6 . . . . . 15 Ile CA . 27377 1 305 . 2 1 15 15 ILE N N 15 124.854 0.017 . 6 . . . . . 15 Ile N . 27377 1 306 . 2 1 17 17 GLY CA C 13 45.024 0.014 . 6 . . . . . 17 Gly CA . 27377 1 307 . 2 1 18 18 GLN H H 1 8.033 0.002 . 6 . . . . . 18 Gln H . 27377 1 308 . 2 1 18 18 GLN CA C 13 54.354 0.014 . 6 . . . . . 18 Gln CA . 27377 1 309 . 2 1 18 18 GLN N N 15 120.018 0.017 . 6 . . . . . 18 Gln N . 27377 1 310 . 2 1 22 22 ALA H H 1 9.238 0.002 . 1 . . . . . 22 Ala H B 27377 1 311 . 2 1 22 22 ALA CA C 13 50.821 0.014 . 1 . . . . . 22 Ala CA B 27377 1 312 . 2 1 22 22 ALA N N 15 123.589 0.017 . 1 . . . . . 22 Ala N B 27377 1 313 . 2 1 23 23 LEU H H 1 8.58 0.002 . 1 . . . . . 23 Leu H B 27377 1 314 . 2 1 23 23 LEU CA C 13 53.632 0.014 . 1 . . . . . 23 Leu CA B 27377 1 315 . 2 1 23 23 LEU N N 15 119.767 0.017 . 1 . . . . . 23 Leu N B 27377 1 316 . 2 1 24 24 LEU H H 1 8.301 0.002 . 1 . . . . . 24 Leu H B 27377 1 317 . 2 1 24 24 LEU CA C 13 54.729 0.014 . 1 . . . . . 24 Leu CA B 27377 1 318 . 2 1 24 24 LEU N N 15 121.664 0.017 . 1 . . . . . 24 Leu N B 27377 1 319 . 2 1 25 25 ASP H H 1 8.76 0.002 . 1 . . . . . 25 Asp H B 27377 1 320 . 2 1 25 25 ASP CA C 13 53.082 0.014 . 1 . . . . . 25 Asp CA B 27377 1 321 . 2 1 25 25 ASP N N 15 126.955 0.017 . 1 . . . . . 25 Asp N B 27377 1 322 . 2 1 26 26 THR H H 1 8.383 0.002 . 1 . . . . . 26 Thr H B 27377 1 323 . 2 1 26 26 THR CA C 13 64.691 0.014 . 1 . . . . . 26 Thr CA B 27377 1 324 . 2 1 26 26 THR N N 15 112.668 0.017 . 1 . . . . . 26 Thr N B 27377 1 325 . 2 1 27 27 GLY H H 1 9.357 0.002 . 1 . . . . . 27 Gly H B 27377 1 326 . 2 1 27 27 GLY CA C 13 44.956 0.014 . 1 . . . . . 27 Gly CA B 27377 1 327 . 2 1 27 27 GLY N N 15 109.178 0.017 . 1 . . . . . 27 Gly N B 27377 1 328 . 2 1 28 28 ALA H H 1 6.89 0.002 . 1 . . . . . 28 Ala H B 27377 1 329 . 2 1 28 28 ALA CA C 13 49.174 0.014 . 1 . . . . . 28 Ala CA B 27377 1 330 . 2 1 28 28 ALA N N 15 124.298 0.017 . 1 . . . . . 28 Ala N B 27377 1 331 . 2 1 29 29 ASP H H 1 8.437 0.002 . 1 . . . . . 29 Asp H B 27377 1 332 . 2 1 29 29 ASP CA C 13 58.258 0.014 . 1 . . . . . 29 Asp CA B 27377 1 333 . 2 1 29 29 ASP N N 15 124.127 0.017 . 1 . . . . . 29 Asp N B 27377 1 334 . 2 1 30 30 ASP H H 1 7.138 0.002 . 1 . . . . . 30 Asp H B 27377 1 335 . 2 1 30 30 ASP CA C 13 52.368 0.014 . 1 . . . . . 30 Asp CA B 27377 1 336 . 2 1 30 30 ASP N N 15 113.082 0.017 . 1 . . . . . 30 Asp N B 27377 1 337 . 2 1 31 31 THR H H 1 7.773 0.002 . 1 . . . . . 31 Thr H B 27377 1 338 . 2 1 31 31 THR CA C 13 63.83 0.014 . 1 . . . . . 31 Thr CA B 27377 1 339 . 2 1 31 31 THR N N 15 119.52 0.017 . 1 . . . . . 31 Thr N B 27377 1 340 . 2 1 32 32 VAL H H 1 9.101 0.002 . 1 . . . . . 32 Val H B 27377 1 341 . 2 1 32 32 VAL CA C 13 59.669 0.014 . 1 . . . . . 32 Val CA B 27377 1 342 . 2 1 32 32 VAL N N 15 128.175 0.017 . 1 . . . . . 32 Val N B 27377 1 343 . 2 1 33 33 ILE H H 1 9.193 0.002 . 1 . . . . . 33 Ile H B 27377 1 344 . 2 1 33 33 ILE CA C 13 56.924 0.014 . 1 . . . . . 33 Ile CA B 27377 1 345 . 2 1 33 33 ILE N N 15 125.749 0.017 . 1 . . . . . 33 Ile N B 27377 1 346 . 2 1 34 34 GLU H H 1 7.943 0.002 . 1 . . . . . 34 Glu H B 27377 1 347 . 2 1 34 34 GLU CA C 13 55.286 0.014 . 1 . . . . . 34 Glu CA B 27377 1 348 . 2 1 34 34 GLU N N 15 119.702 0.017 . 1 . . . . . 34 Glu N B 27377 1 349 . 2 1 35 35 GLU H H 1 7.091 0.002 . 1 . . . . . 35 Glu H B 27377 1 350 . 2 1 35 35 GLU CA C 13 58.305 0.014 . 1 . . . . . 35 Glu CA B 27377 1 351 . 2 1 35 35 GLU N N 15 115.405 0.017 . 1 . . . . . 35 Glu N B 27377 1 352 . 2 1 36 36 MET H H 1 6.963 0.002 . 1 . . . . . 36 Met H B 27377 1 353 . 2 1 36 36 MET CA C 13 54.705 0.014 . 1 . . . . . 36 Met CA B 27377 1 354 . 2 1 36 36 MET N N 15 120.597 0.017 . 1 . . . . . 36 Met N B 27377 1 355 . 2 1 37 37 ASN H H 1 8.641 0.002 . 6 . . . . . 37 Asn H . 27377 1 356 . 2 1 37 37 ASN CA C 13 52.617 0.014 . 6 . . . . . 37 Asn CA . 27377 1 357 . 2 1 37 37 ASN N N 15 118.909 0.017 . 6 . . . . . 37 Asn N . 27377 1 358 . 2 1 38 38 LEU H H 1 7.43 0.002 . 6 . . . . . 38 Leu H . 27377 1 359 . 2 1 38 38 LEU CA C 13 51.765 0.014 . 6 . . . . . 38 Leu CA . 27377 1 360 . 2 1 38 38 LEU N N 15 124.991 0.017 . 6 . . . . . 38 Leu N . 27377 1 361 . 2 1 40 40 GLY H H 1 8.37 0.002 . 6 . . . . . 40 Gly H . 27377 1 362 . 2 1 40 40 GLY N N 15 106.012 0.017 . 6 . . . . . 40 Gly N . 27377 1 363 . 2 1 41 41 LYS H H 1 8.405 0.002 . 6 . . . . . 41 Lys H . 27377 1 364 . 2 1 41 41 LYS CA C 13 56.15 0.014 . 6 . . . . . 41 Lys CA . 27377 1 365 . 2 1 41 41 LYS N N 15 119.339 0.017 . 6 . . . . . 41 Lys N . 27377 1 366 . 2 1 42 42 TRP H H 1 7.368 0.002 . 6 . . . . . 42 Trp H . 27377 1 367 . 2 1 42 42 TRP CA C 13 53.715 0.014 . 6 . . . . . 42 Trp CA . 27377 1 368 . 2 1 42 42 TRP N N 15 117.918 0.017 . 6 . . . . . 42 Trp N . 27377 1 369 . 2 1 43 43 LYS H H 1 8.321 0.002 . 6 . . . . . 43 Lys H . 27377 1 370 . 2 1 43 43 LYS CA C 13 52.86 0.014 . 6 . . . . . 43 Lys CA . 27377 1 371 . 2 1 43 43 LYS N N 15 117.931 0.017 . 6 . . . . . 43 Lys N . 27377 1 372 . 2 1 44 44 PRO CA C 13 63.198 0.014 . 6 . . . . . 44 Pro CA . 27377 1 373 . 2 1 45 45 LYS H H 1 8.595 0.002 . 1 . . . . . 45 Lys H B 27377 1 374 . 2 1 45 45 LYS CA C 13 55.213 0.014 . 1 . . . . . 45 Lys CA B 27377 1 375 . 2 1 45 45 LYS N N 15 122.259 0.017 . 1 . . . . . 45 Lys N B 27377 1 376 . 2 1 46 46 MET H H 1 8.389 0.002 . 1 . . . . . 46 Met H B 27377 1 377 . 2 1 46 46 MET CA C 13 54.199 0.014 . 1 . . . . . 46 Met CA B 27377 1 378 . 2 1 46 46 MET N N 15 121.854 0.017 . 1 . . . . . 46 Met N B 27377 1 379 . 2 1 47 47 ILE H H 1 8.781 0.002 . 1 . . . . . 47 Ile H B 27377 1 380 . 2 1 47 47 ILE CA C 13 59.702 0.014 . 1 . . . . . 47 Ile CA B 27377 1 381 . 2 1 47 47 ILE N N 15 118.373 0.017 . 1 . . . . . 47 Ile N B 27377 1 382 . 2 1 48 48 VAL H H 1 8.412 0.002 . 1 . . . . . 48 Val H B 27377 1 383 . 2 1 48 48 VAL CA C 13 61.012 0.014 . 1 . . . . . 48 Val CA B 27377 1 384 . 2 1 48 48 VAL N N 15 121.117 0.017 . 1 . . . . . 48 Val N B 27377 1 385 . 2 1 49 49 GLY H H 1 7.757 0.002 . 1 . . . . . 49 Gly H B 27377 1 386 . 2 1 49 49 GLY CA C 13 44.895 0.014 . 1 . . . . . 49 Gly CA B 27377 1 387 . 2 1 49 49 GLY N N 15 111.623 0.017 . 1 . . . . . 49 Gly N B 27377 1 388 . 2 1 50 50 ILE H H 1 8.134 0.002 . 1 . . . . . 50 Ile H B 27377 1 389 . 2 1 50 50 ILE CA C 13 64.634 0.014 . 1 . . . . . 50 Ile CA B 27377 1 390 . 2 1 50 50 ILE N N 15 123.378 0.017 . 1 . . . . . 50 Ile N B 27377 1 391 . 2 1 51 51 GLY CA C 13 43.632 0.014 . 1 . . . . . 51 Gly CA B 27377 1 392 . 2 1 52 52 GLY H H 1 7.297 0.002 . 1 . . . . . 52 Gly H B 27377 1 393 . 2 1 52 52 GLY CA C 13 44.515 0.014 . 1 . . . . . 52 Gly CA B 27377 1 394 . 2 1 52 52 GLY N N 15 105.352 0.017 . 1 . . . . . 52 Gly N B 27377 1 395 . 2 1 53 53 PHE H H 1 8.034 0.002 . 1 . . . . . 53 Phe H B 27377 1 396 . 2 1 53 53 PHE CA C 13 56.141 0.014 . 1 . . . . . 53 Phe CA B 27377 1 397 . 2 1 53 53 PHE N N 15 117.894 0.017 . 1 . . . . . 53 Phe N B 27377 1 398 . 2 1 54 54 VAL H H 1 8.942 0.002 . 1 . . . . . 54 Val H B 27377 1 399 . 2 1 54 54 VAL CA C 13 61.344 0.014 . 1 . . . . . 54 Val CA B 27377 1 400 . 2 1 54 54 VAL N N 15 119.873 0.017 . 1 . . . . . 54 Val N B 27377 1 401 . 2 1 55 55 LYS H H 1 8.62 0.002 . 1 . . . . . 55 Lys H B 27377 1 402 . 2 1 55 55 LYS CA C 13 56.817 0.014 . 1 . . . . . 55 Lys CA B 27377 1 403 . 2 1 55 55 LYS N N 15 127.969 0.017 . 1 . . . . . 55 Lys N B 27377 1 404 . 2 1 56 56 VAL H H 1 8.782 0.002 . 1 . . . . . 56 Val H B 27377 1 405 . 2 1 56 56 VAL CA C 13 58.274 0.014 . 1 . . . . . 56 Val CA B 27377 1 406 . 2 1 56 56 VAL N N 15 116.245 0.017 . 1 . . . . . 56 Val N B 27377 1 407 . 2 1 57 57 ARG H H 1 9.033 0.002 . 1 . . . . . 57 Arg H B 27377 1 408 . 2 1 57 57 ARG CA C 13 55.366 0.014 . 1 . . . . . 57 Arg CA B 27377 1 409 . 2 1 57 57 ARG N N 15 119.467 0.017 . 1 . . . . . 57 Arg N B 27377 1 410 . 2 1 58 58 GLN H H 1 9.745 0.002 . 1 . . . . . 58 Gln H B 27377 1 411 . 2 1 58 58 GLN CA C 13 56.055 0.014 . 1 . . . . . 58 Gln CA B 27377 1 412 . 2 1 58 58 GLN N N 15 123.551 0.017 . 1 . . . . . 58 Gln N B 27377 1 413 . 2 1 59 59 TYR H H 1 9.214 0.002 . 1 . . . . . 59 Tyr H B 27377 1 414 . 2 1 59 59 TYR CA C 13 57.419 0.014 . 1 . . . . . 59 Tyr CA B 27377 1 415 . 2 1 59 59 TYR N N 15 129.134 0.017 . 1 . . . . . 59 Tyr N B 27377 1 416 . 2 1 60 60 ASP H H 1 8.954 0.002 . 1 . . . . . 60 Asp H B 27377 1 417 . 2 1 60 60 ASP CA C 13 53.707 0.014 . 1 . . . . . 60 Asp CA B 27377 1 418 . 2 1 60 60 ASP N N 15 120.572 0.017 . 1 . . . . . 60 Asp N B 27377 1 419 . 2 1 61 61 GLN H H 1 8.916 0.002 . 1 . . . . . 61 Gln H B 27377 1 420 . 2 1 61 61 GLN CA C 13 56.276 0.014 . 1 . . . . . 61 Gln CA B 27377 1 421 . 2 1 61 61 GLN N N 15 113.985 0.017 . 1 . . . . . 61 Gln N B 27377 1 422 . 2 1 62 62 ILE H H 1 8.732 0.002 . 1 . . . . . 62 Ile H B 27377 1 423 . 2 1 62 62 ILE CA C 13 55.265 0.014 . 1 . . . . . 62 Ile CA B 27377 1 424 . 2 1 62 62 ILE N N 15 122.333 0.017 . 1 . . . . . 62 Ile N B 27377 1 425 . 2 1 63 63 PRO CA C 13 61.927 0.014 . 6 . . . . . 63 Pro CA . 27377 1 426 . 2 1 64 64 ILE H H 1 8.861 0.002 . 6 . . . . . 64 Ile H . 27377 1 427 . 2 1 64 64 ILE CA C 13 59.21 0.014 . 6 . . . . . 64 Ile CA . 27377 1 428 . 2 1 64 64 ILE N N 15 123.77 0.017 . 6 . . . . . 64 Ile N . 27377 1 429 . 2 1 65 65 GLU H H 1 8.266 0.002 . 6 . . . . . 65 Glu H . 27377 1 430 . 2 1 65 65 GLU N N 15 125.557 0.017 . 6 . . . . . 65 Glu N . 27377 1 431 . 2 1 66 66 ILE H H 1 9.21 0.002 . 6 . . . . . 66 Ile H . 27377 1 432 . 2 1 66 66 ILE N N 15 125.237 0.017 . 6 . . . . . 66 Ile N . 27377 1 433 . 2 1 71 71 ALA CA C 13 50.799 0.014 . 6 . . . . . 71 Ala CA . 27377 1 434 . 2 1 72 72 ILE H H 1 8.44 0.002 . 6 . . . . . 72 Ile H . 27377 1 435 . 2 1 72 72 ILE CA C 13 59.99 0.014 . 6 . . . . . 72 Ile CA . 27377 1 436 . 2 1 72 72 ILE N N 15 119.489 0.017 . 6 . . . . . 72 Ile N . 27377 1 437 . 2 1 73 73 GLY H H 1 8.46 0.002 . 6 . . . . . 73 Gly H . 27377 1 438 . 2 1 73 73 GLY CA C 13 46.045 0.014 . 6 . . . . . 73 Gly CA . 27377 1 439 . 2 1 73 73 GLY N N 15 112.594 0.017 . 6 . . . . . 73 Gly N . 27377 1 440 . 2 1 74 74 THR H H 1 8.612 0.002 . 6 . . . . . 74 Thr H . 27377 1 441 . 2 1 74 74 THR CA C 13 63.752 0.014 . 6 . . . . . 74 Thr CA . 27377 1 442 . 2 1 74 74 THR N N 15 118.691 0.017 . 6 . . . . . 74 Thr N . 27377 1 443 . 2 1 75 75 VAL H H 1 9.036 0.002 . 6 . . . . . 75 Val H . 27377 1 444 . 2 1 75 75 VAL CA C 13 61.47 0.014 . 6 . . . . . 75 Val CA . 27377 1 445 . 2 1 75 75 VAL N N 15 124.348 0.017 . 6 . . . . . 75 Val N . 27377 1 446 . 2 1 76 76 LEU H H 1 8.402 0.002 . 6 . . . . . 76 Leu H . 27377 1 447 . 2 1 76 76 LEU CA C 13 52.445 0.014 . 6 . . . . . 76 Leu CA . 27377 1 448 . 2 1 76 76 LEU N N 15 125.425 0.017 . 6 . . . . . 76 Leu N . 27377 1 449 . 2 1 77 77 VAL H H 1 9.253 0.002 . 6 . . . . . 77 Val H . 27377 1 450 . 2 1 77 77 VAL CA C 13 59.92 0.014 . 6 . . . . . 77 Val CA . 27377 1 451 . 2 1 77 77 VAL N N 15 121.455 0.017 . 6 . . . . . 77 Val N . 27377 1 452 . 2 1 78 78 GLY H H 1 8.784 0.002 . 6 . . . . . 78 Gly H . 27377 1 453 . 2 1 78 78 GLY CA C 13 45.626 0.014 . 6 . . . . . 78 Gly CA . 27377 1 454 . 2 1 78 78 GLY N N 15 113.541 0.017 . 6 . . . . . 78 Gly N . 27377 1 455 . 2 1 79 79 PRO CA C 13 62.794 0.014 . 6 . . . . . 79 Pro CA . 27377 1 456 . 2 1 80 80 THR H H 1 8.109 0.002 . 6 . . . . . 80 Thr H . 27377 1 457 . 2 1 80 80 THR CA C 13 56.689 0.014 . 6 . . . . . 80 Thr CA . 27377 1 458 . 2 1 80 80 THR N N 15 118.195 0.017 . 6 . . . . . 80 Thr N . 27377 1 459 . 2 1 81 81 PRO CA C 13 63.267 0.014 . 6 . . . . . 81 Pro CA . 27377 1 460 . 2 1 82 82 ALA H H 1 7.346 0.002 . 1 . . . . . 82 Ala H B 27377 1 461 . 2 1 82 82 ALA CA C 13 51.078 0.014 . 1 . . . . . 82 Ala CA B 27377 1 462 . 2 1 82 82 ALA N N 15 120.243 0.017 . 1 . . . . . 82 Ala N B 27377 1 463 . 2 1 83 83 ASN H H 1 8.641 0.002 . 1 . . . . . 83 Asn H B 27377 1 464 . 2 1 83 83 ASN CA C 13 53.667 0.014 . 1 . . . . . 83 Asn CA B 27377 1 465 . 2 1 83 83 ASN N N 15 119.865 0.017 . 1 . . . . . 83 Asn N B 27377 1 466 . 2 1 84 84 ILE H H 1 9.653 0.002 . 1 . . . . . 84 Ile H B 27377 1 467 . 2 1 84 84 ILE CA C 13 61.337 0.014 . 1 . . . . . 84 Ile CA B 27377 1 468 . 2 1 84 84 ILE N N 15 127.537 0.017 . 1 . . . . . 84 Ile N B 27377 1 469 . 2 1 85 85 ILE H H 1 9.295 0.002 . 1 . . . . . 85 Ile H B 27377 1 470 . 2 1 85 85 ILE CA C 13 58.245 0.014 . 1 . . . . . 85 Ile CA B 27377 1 471 . 2 1 85 85 ILE N N 15 125.928 0.017 . 1 . . . . . 85 Ile N B 27377 1 472 . 2 1 86 86 GLY H H 1 8.088 0.002 . 1 . . . . . 86 Gly H B 27377 1 473 . 2 1 86 86 GLY CA C 13 43.455 0.014 . 1 . . . . . 86 Gly CA B 27377 1 474 . 2 1 86 86 GLY N N 15 112.631 0.017 . 1 . . . . . 86 Gly N B 27377 1 475 . 2 1 87 87 ARG H H 1 9.179 0.002 . 1 . . . . . 87 Arg H B 27377 1 476 . 2 1 87 87 ARG CA C 13 61.313 0.014 . 1 . . . . . 87 Arg CA B 27377 1 477 . 2 1 87 87 ARG N N 15 116.848 0.017 . 1 . . . . . 87 Arg N B 27377 1 478 . 2 1 88 88 ASN H H 1 7.893 0.002 . 1 . . . . . 88 Asn H B 27377 1 479 . 2 1 88 88 ASN CA C 13 56.786 0.014 . 1 . . . . . 88 Asn CA B 27377 1 480 . 2 1 88 88 ASN N N 15 115.103 0.017 . 1 . . . . . 88 Asn N B 27377 1 481 . 2 1 89 89 LEU H H 1 6.96 0.002 . 1 . . . . . 89 Leu H B 27377 1 482 . 2 1 89 89 LEU CA C 13 55.219 0.014 . 1 . . . . . 89 Leu CA B 27377 1 483 . 2 1 89 89 LEU N N 15 115.95 0.017 . 1 . . . . . 89 Leu N B 27377 1 484 . 2 1 90 90 LEU H H 1 8.358 0.002 . 6 . . . . . 90 Leu H . 27377 1 485 . 2 1 90 90 LEU CA C 13 57.832 0.014 . 6 . . . . . 90 Leu CA . 27377 1 486 . 2 1 90 90 LEU N N 15 120.153 0.017 . 6 . . . . . 90 Leu N . 27377 1 487 . 2 1 91 91 THR H H 1 7.803 0.002 . 6 . . . . . 91 Thr H . 27377 1 488 . 2 1 91 91 THR CA C 13 63.519 0.014 . 6 . . . . . 91 Thr CA . 27377 1 489 . 2 1 91 91 THR N N 15 105.928 0.017 . 6 . . . . . 91 Thr N . 27377 1 490 . 2 1 93 93 ILE H H 1 6.953 0.002 . 6 . . . . . 93 Ile H . 27377 1 491 . 2 1 93 93 ILE CA C 13 60.443 0.014 . 6 . . . . . 93 Ile CA . 27377 1 492 . 2 1 93 93 ILE N N 15 108.694 0.017 . 6 . . . . . 93 Ile N . 27377 1 493 . 2 1 94 94 GLY CA C 13 45.994 0.014 . 6 . . . . . 94 Gly CA . 27377 1 494 . 2 1 95 95 ALA H H 1 7.437 0.002 . 6 . . . . . 95 Ala H . 27377 1 495 . 2 1 95 95 ALA CA C 13 51.519 0.014 . 6 . . . . . 95 Ala CA . 27377 1 496 . 2 1 95 95 ALA N N 15 120.254 0.017 . 6 . . . . . 95 Ala N . 27377 1 497 . 2 1 96 96 THR CA C 13 59.425 0.014 . 6 . . . . . 96 Thr CA . 27377 1 498 . 2 1 97 97 LEU H H 1 8.500 0.002 . 6 . . . . . 97 Leu H . 27377 1 499 . 2 1 97 97 LEU CA C 13 53.241 0.014 . 6 . . . . . 97 Leu CA . 27377 1 500 . 2 1 97 97 LEU N N 15 121.512 0.017 . 6 . . . . . 97 Leu N . 27377 1 501 . 2 1 98 98 ASN CA C 13 52.742 0.014 . 6 . . . . . 98 Asn CA . 27377 1 502 . 2 1 99 99 PHE H H 1 7.992 0.002 . 6 . . . . . 99 Phe H . 27377 1 503 . 2 1 99 99 PHE CA C 13 58.986 0.014 . 6 . . . . . 99 Phe CA . 27377 1 504 . 2 1 99 99 PHE N N 15 121.891 0.017 . 6 . . . . . 99 Phe N . 27377 1 stop_ save_