################################### # 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 27378 _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.011 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 27378 1 2 '3D HNCA' . . . 27378 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 . . 27378 1 2 $NMRDraw . . 27378 1 3 $TopSpin . . 27378 1 4 $Analysis . . 27378 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 62.023 0.011 . 6 . . . . . 1 Pro CA . 27378 1 2 . 1 1 2 2 GLN H H 1 8.537 0.001 . 6 . . . . . 2 Gln H . 27378 1 3 . 1 1 2 2 GLN CA C 13 55.549 0.011 . 6 . . . . . 2 Gln CA . 27378 1 4 . 1 1 2 2 GLN N N 15 120.354 0.01 . 6 . . . . . 2 Gln N . 27378 1 5 . 1 1 3 3 ILE H H 1 9.408 0.001 . 6 . . . . . 3 Ile H . 27378 1 6 . 1 1 3 3 ILE CA C 13 60.618 0.011 . 6 . . . . . 3 Ile CA . 27378 1 7 . 1 1 3 3 ILE N N 15 128.235 0.01 . 6 . . . . . 3 Ile N . 27378 1 8 . 1 1 4 4 THR H H 1 8.337 0.001 . 6 . . . . . 4 Thr H . 27378 1 9 . 1 1 4 4 THR CA C 13 60.778 0.011 . 6 . . . . . 4 Thr CA . 27378 1 10 . 1 1 4 4 THR N N 15 115.752 0.01 . 6 . . . . . 4 Thr N . 27378 1 11 . 1 1 5 5 LEU H H 1 9.15 0.001 . 6 . . . . . 5 Leu H . 27378 1 12 . 1 1 5 5 LEU CA C 13 54.094 0.011 . 6 . . . . . 5 Leu CA . 27378 1 13 . 1 1 5 5 LEU N N 15 116.833 0.01 . 6 . . . . . 5 Leu N . 27378 1 14 . 1 1 6 6 TRP H H 1 7.329 0.001 . 6 . . . . . 6 Trp H . 27378 1 15 . 1 1 6 6 TRP CA C 13 58.977 0.011 . 6 . . . . . 6 Trp CA . 27378 1 16 . 1 1 6 6 TRP N N 15 120.865 0.01 . 6 . . . . . 6 Trp N . 27378 1 17 . 1 1 7 7 LYS H H 1 7.458 0.001 . 6 . . . . . 7 Lys H . 27378 1 18 . 1 1 7 7 LYS CA C 13 53.494 0.011 . 6 . . . . . 7 Lys CA . 27378 1 19 . 1 1 7 7 LYS N N 15 115.14 0.01 . 6 . . . . . 7 Lys N . 27378 1 20 . 1 1 8 8 ARG H H 1 8.834 0.001 . 6 . . . . . 8 Arg H . 27378 1 21 . 1 1 8 8 ARG CA C 13 56.112 0.011 . 6 . . . . . 8 Arg CA . 27378 1 22 . 1 1 8 8 ARG N N 15 120.51 0.01 . 6 . . . . . 8 Arg N . 27378 1 23 . 1 1 9 9 PRO CA C 13 61.706 0.011 . 6 . . . . . 9 Pro CA . 27378 1 24 . 1 1 10 10 LEU H H 1 7.612 0.001 . 6 . . . . . 10 Leu H . 27378 1 25 . 1 1 10 10 LEU CA C 13 53.635 0.011 . 6 . . . . . 10 Leu CA . 27378 1 26 . 1 1 10 10 LEU N N 15 126.975 0.01 . 6 . . . . . 10 Leu N . 27378 1 27 . 1 1 11 11 VAL H H 1 9.169 0.001 . 6 . . . . . 11 Val H . 27378 1 28 . 1 1 11 11 VAL CA C 13 58.663 0.011 . 6 . . . . . 11 Val CA . 27378 1 29 . 1 1 11 11 VAL N N 15 120.076 0.01 . 6 . . . . . 11 Val N . 27378 1 30 . 1 1 12 12 THR H H 1 8.522 0.001 . 6 . . . . . 12 Thr H . 27378 1 31 . 1 1 12 12 THR CA C 13 62.765 0.011 . 6 . . . . . 12 Thr CA . 27378 1 32 . 1 1 12 12 THR N N 15 116.18 0.01 . 6 . . . . . 12 Thr N . 27378 1 33 . 1 1 13 13 ILE H H 1 9.305 0.001 . 6 . . . . . 13 Ile H . 27378 1 34 . 1 1 13 13 ILE CA C 13 57.994 0.011 . 6 . . . . . 13 Ile CA . 27378 1 35 . 1 1 13 13 ILE N N 15 121.05 0.01 . 6 . . . . . 13 Ile N . 27378 1 36 . 1 1 14 14 ARG H H 1 8.59 0.001 . 6 . . . . . 14 Arg H . 27378 1 37 . 1 1 14 14 ARG CA C 13 54.656 0.011 . 6 . . . . . 14 Arg CA . 27378 1 38 . 1 1 14 14 ARG N N 15 120.572 0.01 . 6 . . . . . 14 Arg N . 27378 1 39 . 1 1 15 15 ILE H H 1 8.908 0.001 . 6 . . . . . 15 Ile H . 27378 1 40 . 1 1 15 15 ILE CA C 13 59.101 0.011 . 6 . . . . . 15 Ile CA . 27378 1 41 . 1 1 15 15 ILE N N 15 124.82 0.01 . 6 . . . . . 15 Ile N . 27378 1 42 . 1 1 16 16 GLY H H 1 9.729 0.001 . 6 . . . . . 16 Gly H . 27378 1 43 . 1 1 16 16 GLY CA C 13 46.909 0.011 . 6 . . . . . 16 Gly CA . 27378 1 44 . 1 1 16 16 GLY N N 15 118.144 0.01 . 6 . . . . . 16 Gly N . 27378 1 45 . 1 1 17 17 GLY H H 1 8.765 0.001 . 6 . . . . . 17 Gly H . 27378 1 46 . 1 1 17 17 GLY CA C 13 45.036 0.011 . 6 . . . . . 17 Gly CA . 27378 1 47 . 1 1 17 17 GLY N N 15 105.52 0.01 . 6 . . . . . 17 Gly N . 27378 1 48 . 1 1 18 18 GLN H H 1 8.003 0.001 . 6 . . . . . 18 Gln H . 27378 1 49 . 1 1 18 18 GLN CA C 13 54.246 0.011 . 6 . . . . . 18 Gln CA . 27378 1 50 . 1 1 18 18 GLN N N 15 119.947 0.01 . 6 . . . . . 18 Gln N . 27378 1 51 . 1 1 19 19 LEU H H 1 8.461 0.001 . 6 . . . . . 19 Leu H . 27378 1 52 . 1 1 19 19 LEU CA C 13 54.151 0.011 . 6 . . . . . 19 Leu CA . 27378 1 53 . 1 1 19 19 LEU N N 15 123.376 0.01 . 6 . . . . . 19 Leu N . 27378 1 54 . 1 1 20 20 LYS H H 1 8.982 0.001 . 6 . . . . . 20 Lys H . 27378 1 55 . 1 1 20 20 LYS CA C 13 54.117 0.011 . 6 . . . . . 20 Lys CA . 27378 1 56 . 1 1 20 20 LYS N N 15 123.227 0.01 . 6 . . . . . 20 Lys N . 27378 1 57 . 1 1 21 21 GLU H H 1 8.654 0.001 . 6 . . . . . 21 Glu H . 27378 1 58 . 1 1 21 21 GLU CA C 13 55.093 0.011 . 6 . . . . . 21 Glu CA . 27378 1 59 . 1 1 21 21 GLU N N 15 120.64 0.01 . 6 . . . . . 21 Glu N . 27378 1 60 . 1 1 22 22 ALA H H 1 9.31 0.001 . 1 . . . . . 22 Ala H A 27378 1 61 . 1 1 22 22 ALA CA C 13 50.705 0.011 . 1 . . . . . 22 Ala CA A 27378 1 62 . 1 1 22 22 ALA N N 15 125.548 0.01 . 1 . . . . . 22 Ala N A 27378 1 63 . 1 1 23 23 LEU H H 1 8.776 0.001 . 1 . . . . . 23 Leu H A 27378 1 64 . 1 1 23 23 LEU CA C 13 53.259 0.011 . 1 . . . . . 23 Leu CA A 27378 1 65 . 1 1 23 23 LEU N N 15 121.888 0.01 . 1 . . . . . 23 Leu N A 27378 1 66 . 1 1 24 24 LEU H H 1 8.411 0.001 . 1 . . . . . 24 Leu H A 27378 1 67 . 1 1 24 24 LEU CA C 13 55.542 0.011 . 1 . . . . . 24 Leu CA A 27378 1 68 . 1 1 24 24 LEU N N 15 125.341 0.01 . 1 . . . . . 24 Leu N A 27378 1 69 . 1 1 25 25 ASP H H 1 8.698 0.001 . 1 . . . . . 25 Asp H A 27378 1 70 . 1 1 25 25 ASP CA C 13 52.264 0.011 . 1 . . . . . 25 Asp CA A 27378 1 71 . 1 1 25 25 ASP N N 15 128.875 0.01 . 1 . . . . . 25 Asp N A 27378 1 72 . 1 1 26 26 THR H H 1 8.215 0.001 . 1 . . . . . 26 Thr H A 27378 1 73 . 1 1 26 26 THR CA C 13 65.528 0.011 . 1 . . . . . 26 Thr CA A 27378 1 74 . 1 1 26 26 THR N N 15 111.071 0.01 . 1 . . . . . 26 Thr N A 27378 1 75 . 1 1 27 27 GLY H H 1 7.821 0.001 . 1 . . . . . 27 Gly H A 27378 1 76 . 1 1 27 27 GLY CA C 13 45.34 0.011 . 1 . . . . . 27 Gly CA A 27378 1 77 . 1 1 27 27 GLY N N 15 108.859 0.01 . 1 . . . . . 27 Gly N A 27378 1 78 . 1 1 28 28 ALA H H 1 7.581 0.001 . 1 . . . . . 28 Ala H A 27378 1 79 . 1 1 28 28 ALA CA C 13 50.014 0.011 . 1 . . . . . 28 Ala CA A 27378 1 80 . 1 1 28 28 ALA N N 15 126.505 0.01 . 1 . . . . . 28 Ala N A 27378 1 81 . 1 1 29 29 ASP H H 1 8.688 0.001 . 1 . . . . . 29 Asp H A 27378 1 82 . 1 1 29 29 ASP CA C 13 57.693 0.011 . 1 . . . . . 29 Asp CA A 27378 1 83 . 1 1 29 29 ASP N N 15 125.937 0.01 . 1 . . . . . 29 Asp N A 27378 1 84 . 1 1 30 30 ASP H H 1 7.602 0.001 . 1 . . . . . 30 Asp H A 27378 1 85 . 1 1 30 30 ASP CA C 13 52.877 0.011 . 1 . . . . . 30 Asp CA A 27378 1 86 . 1 1 30 30 ASP N N 15 115.638 0.01 . 1 . . . . . 30 Asp N A 27378 1 87 . 1 1 31 31 THR H H 1 8.253 0.001 . 1 . . . . . 31 Thr H A 27378 1 88 . 1 1 31 31 THR CA C 13 63.088 0.011 . 1 . . . . . 31 Thr CA A 27378 1 89 . 1 1 31 31 THR N N 15 117.133 0.01 . 1 . . . . . 31 Thr N A 27378 1 90 . 1 1 32 32 VAL H H 1 8.318 0.001 . 1 . . . . . 32 Val H A 27378 1 91 . 1 1 32 32 VAL CA C 13 59.989 0.011 . 1 . . . . . 32 Val CA A 27378 1 92 . 1 1 32 32 VAL N N 15 128.12 0.01 . 1 . . . . . 32 Val N A 27378 1 93 . 1 1 33 33 ILE H H 1 9.245 0.001 . 1 . . . . . 33 Ile H A 27378 1 94 . 1 1 33 33 ILE CA C 13 57.138 0.011 . 1 . . . . . 33 Ile CA A 27378 1 95 . 1 1 33 33 ILE N N 15 125.942 0.01 . 1 . . . . . 33 Ile N A 27378 1 96 . 1 1 34 34 GLU H H 1 8.064 0.001 . 1 . . . . . 34 Glu H A 27378 1 97 . 1 1 34 34 GLU CA C 13 55.223 0.011 . 1 . . . . . 34 Glu CA A 27378 1 98 . 1 1 34 34 GLU N N 15 120.019 0.01 . 1 . . . . . 34 Glu N A 27378 1 99 . 1 1 35 35 GLU H H 1 7.54 0.001 . 1 . . . . . 35 Glu H A 27378 1 100 . 1 1 35 35 GLU CA C 13 58.163 0.011 . 1 . . . . . 35 Glu CA A 27378 1 101 . 1 1 35 35 GLU N N 15 115.073 0.01 . 1 . . . . . 35 Glu N A 27378 1 102 . 1 1 36 36 MET H H 1 6.979 0.001 . 1 . . . . . 36 Met H A 27378 1 103 . 1 1 36 36 MET CA C 13 54.708 0.011 . 1 . . . . . 36 Met CA A 27378 1 104 . 1 1 36 36 MET N N 15 120.515 0.01 . 1 . . . . . 36 Met N A 27378 1 105 . 1 1 37 37 ASN H H 1 8.631 0.001 . 6 . . . . . 37 Asn H . 27378 1 106 . 1 1 37 37 ASN CA C 13 52.602 0.011 . 6 . . . . . 37 Asn CA . 27378 1 107 . 1 1 37 37 ASN N N 15 118.687 0.01 . 6 . . . . . 37 Asn N . 27378 1 108 . 1 1 38 38 LEU H H 1 7.261 0.001 . 6 . . . . . 38 Leu H . 27378 1 109 . 1 1 38 38 LEU CA C 13 51.844 0.011 . 6 . . . . . 38 Leu CA . 27378 1 110 . 1 1 38 38 LEU N N 15 124.555 0.01 . 6 . . . . . 38 Leu N . 27378 1 111 . 1 1 39 39 PRO CA C 13 62.677 0.011 . 6 . . . . . 39 Pro CA . 27378 1 112 . 1 1 40 40 GLY H H 1 8.381 0.001 . 6 . . . . . 40 Gly H . 27378 1 113 . 1 1 40 40 GLY CA C 13 44.301 0.011 . 6 . . . . . 40 Gly CA . 27378 1 114 . 1 1 40 40 GLY N N 15 106.078 0.01 . 6 . . . . . 40 Gly N . 27378 1 115 . 1 1 41 41 LYS H H 1 8.399 0.001 . 6 . . . . . 41 Lys H . 27378 1 116 . 1 1 41 41 LYS CA C 13 56.236 0.011 . 6 . . . . . 41 Lys CA . 27378 1 117 . 1 1 41 41 LYS N N 15 119.167 0.01 . 6 . . . . . 41 Lys N . 27378 1 118 . 1 1 42 42 TRP H H 1 7.406 0.001 . 6 . . . . . 42 Trp H . 27378 1 119 . 1 1 42 42 TRP CA C 13 53.898 0.011 . 6 . . . . . 42 Trp CA . 27378 1 120 . 1 1 42 42 TRP N N 15 118.258 0.01 . 6 . . . . . 42 Trp N . 27378 1 121 . 1 1 43 43 LYS H H 1 8.353 0.001 . 6 . . . . . 43 Lys H . 27378 1 122 . 1 1 43 43 LYS CA C 13 52.884 0.011 . 6 . . . . . 43 Lys CA . 27378 1 123 . 1 1 43 43 LYS N N 15 117.96 0.01 . 6 . . . . . 43 Lys N . 27378 1 124 . 1 1 44 44 PRO CA C 13 62.935 0.011 . 6 . . . . . 44 Pro CA . 27378 1 125 . 1 1 45 45 LYS H H 1 8.546 0.001 . 1 . . . . . 45 Lys H A 27378 1 126 . 1 1 45 45 LYS CA C 13 55.51 0.011 . 1 . . . . . 45 Lys CA A 27378 1 127 . 1 1 45 45 LYS N N 15 121.692 0.01 . 1 . . . . . 45 Lys N A 27378 1 128 . 1 1 46 46 MET H H 1 8.504 0.001 . 1 . . . . . 46 Met H A 27378 1 129 . 1 1 46 46 MET CA C 13 53.741 0.011 . 1 . . . . . 46 Met CA A 27378 1 130 . 1 1 46 46 MET N N 15 121.599 0.01 . 1 . . . . . 46 Met N A 27378 1 131 . 1 1 47 47 ILE H H 1 8.871 0.001 . 1 . . . . . 47 Ile H A 27378 1 132 . 1 1 47 47 ILE CA C 13 59.048 0.011 . 1 . . . . . 47 Ile CA A 27378 1 133 . 1 1 47 47 ILE N N 15 118.026 0.01 . 1 . . . . . 47 Ile N A 27378 1 134 . 1 1 48 48 GLY H H 1 8.294 0.001 . 1 . . . . . 48 Gly H A 27378 1 135 . 1 1 48 48 GLY CA C 13 44.088 0.011 . 1 . . . . . 48 Gly CA A 27378 1 136 . 1 1 48 48 GLY N N 15 111.656 0.01 . 1 . . . . . 48 Gly N A 27378 1 137 . 1 1 49 49 GLY H H 1 7.501 0.001 . 1 . . . . . 49 Gly H A 27378 1 138 . 1 1 49 49 GLY CA C 13 43.606 0.011 . 1 . . . . . 49 Gly CA A 27378 1 139 . 1 1 49 49 GLY N N 15 109.001 0.01 . 1 . . . . . 49 Gly N A 27378 1 140 . 1 1 50 50 ILE H H 1 8.795 0.001 . 1 . . . . . 50 Ile H A 27378 1 141 . 1 1 50 50 ILE CA C 13 64.074 0.011 . 1 . . . . . 50 Ile CA A 27378 1 142 . 1 1 50 50 ILE N N 15 123.232 0.01 . 1 . . . . . 50 Ile N A 27378 1 143 . 1 1 51 51 GLY H H 1 7.782 0.001 . 1 . . . . . 51 Gly H A 27378 1 144 . 1 1 51 51 GLY N N 15 103.351 0.01 . 1 . . . . . 51 Gly N A 27378 1 145 . 1 1 52 52 GLY H H 1 6.904 0.001 . 1 . . . . . 52 Gly H A 27378 1 146 . 1 1 52 52 GLY CA C 13 44.15 0.011 . 1 . . . . . 52 Gly CA A 27378 1 147 . 1 1 52 52 GLY N N 15 105.902 0.01 . 1 . . . . . 52 Gly N A 27378 1 148 . 1 1 53 53 PHE H H 1 8.24 0.001 . 1 . . . . . 53 Phe H A 27378 1 149 . 1 1 53 53 PHE CA C 13 56.435 0.011 . 1 . . . . . 53 Phe CA A 27378 1 150 . 1 1 53 53 PHE N N 15 118.675 0.01 . 1 . . . . . 53 Phe N A 27378 1 151 . 1 1 54 54 ILE H H 1 8.998 0.001 . 1 . . . . . 54 Ile H A 27378 1 152 . 1 1 54 54 ILE CA C 13 59.654 0.011 . 1 . . . . . 54 Ile CA A 27378 1 153 . 1 1 54 54 ILE N N 15 112.997 0.01 . 1 . . . . . 54 Ile N A 27378 1 154 . 1 1 55 55 LYS H H 1 8.538 0.001 . 1 . . . . . 55 Lys H A 27378 1 155 . 1 1 55 55 LYS CA C 13 56.152 0.011 . 1 . . . . . 55 Lys CA A 27378 1 156 . 1 1 55 55 LYS N N 15 123.875 0.01 . 1 . . . . . 55 Lys N A 27378 1 157 . 1 1 56 56 VAL H H 1 8.966 0.001 . 1 . . . . . 56 Val H A 27378 1 158 . 1 1 56 56 VAL CA C 13 58.024 0.011 . 1 . . . . . 56 Val CA A 27378 1 159 . 1 1 56 56 VAL N N 15 115.537 0.01 . 1 . . . . . 56 Val N A 27378 1 160 . 1 1 57 57 ARG H H 1 8.845 0.001 . 1 . . . . . 57 Arg H A 27378 1 161 . 1 1 57 57 ARG CA C 13 55.559 0.011 . 1 . . . . . 57 Arg CA A 27378 1 162 . 1 1 57 57 ARG N N 15 118.936 0.01 . 1 . . . . . 57 Arg N A 27378 1 163 . 1 1 58 58 GLN H H 1 9.666 0.001 . 1 . . . . . 58 Gln H A 27378 1 164 . 1 1 58 58 GLN CA C 13 55.785 0.011 . 1 . . . . . 58 Gln CA A 27378 1 165 . 1 1 58 58 GLN N N 15 123.853 0.01 . 1 . . . . . 58 Gln N A 27378 1 166 . 1 1 59 59 TYR H H 1 9.159 0.001 . 1 . . . . . 59 Tyr H A 27378 1 167 . 1 1 59 59 TYR CA C 13 57.314 0.011 . 1 . . . . . 59 Tyr CA A 27378 1 168 . 1 1 59 59 TYR N N 15 129.164 0.01 . 1 . . . . . 59 Tyr N A 27378 1 169 . 1 1 60 60 ASP H H 1 8.919 0.001 . 1 . . . . . 60 Asp H A 27378 1 170 . 1 1 60 60 ASP CA C 13 53.77 0.011 . 1 . . . . . 60 Asp CA A 27378 1 171 . 1 1 60 60 ASP N N 15 121.091 0.01 . 1 . . . . . 60 Asp N A 27378 1 172 . 1 1 61 61 GLN H H 1 8.986 0.001 . 1 . . . . . 61 Gln H A 27378 1 173 . 1 1 61 61 GLN CA C 13 56.289 0.011 . 1 . . . . . 61 Gln CA A 27378 1 174 . 1 1 61 61 GLN N N 15 114.245 0.01 . 1 . . . . . 61 Gln N A 27378 1 175 . 1 1 62 62 ILE H H 1 8.767 0.001 . 1 . . . . . 62 Ile H A 27378 1 176 . 1 1 62 62 ILE CA C 13 55.239 0.011 . 1 . . . . . 62 Ile CA A 27378 1 177 . 1 1 62 62 ILE N N 15 122.206 0.01 . 1 . . . . . 62 Ile N A 27378 1 178 . 1 1 63 63 PRO CA C 13 61.853 0.011 . 6 . . . . . 63 Pro CA . 27378 1 179 . 1 1 64 64 ILE H H 1 8.838 0.001 . 6 . . . . . 64 Ile H . 27378 1 180 . 1 1 64 64 ILE CA C 13 59.551 0.011 . 6 . . . . . 64 Ile CA . 27378 1 181 . 1 1 64 64 ILE N N 15 123.18 0.01 . 6 . . . . . 64 Ile N . 27378 1 182 . 1 1 65 65 GLU H H 1 8.273 0.001 . 6 . . . . . 65 Glu H . 27378 1 183 . 1 1 65 65 GLU CA C 13 54.216 0.011 . 6 . . . . . 65 Glu CA . 27378 1 184 . 1 1 65 65 GLU N N 15 125.432 0.01 . 6 . . . . . 65 Glu N . 27378 1 185 . 1 1 66 66 ILE H H 1 9.147 0.001 . 6 . . . . . 66 Ile H . 27378 1 186 . 1 1 66 66 ILE CA C 13 60.32 0.011 . 6 . . . . . 66 Ile CA . 27378 1 187 . 1 1 66 66 ILE N N 15 125.006 0.01 . 6 . . . . . 66 Ile N . 27378 1 188 . 1 1 67 67 ALA H H 1 9.012 0.001 . 6 . . . . . 67 Ala H . 27378 1 189 . 1 1 67 67 ALA CA C 13 53.222 0.011 . 6 . . . . . 67 Ala CA . 27378 1 190 . 1 1 67 67 ALA N N 15 131.092 0.01 . 6 . . . . . 67 Ala N . 27378 1 191 . 1 1 68 68 GLY H H 1 8.677 0.001 . 6 . . . . . 68 Gly H . 27378 1 192 . 1 1 68 68 GLY CA C 13 45.412 0.011 . 6 . . . . . 68 Gly CA . 27378 1 193 . 1 1 68 68 GLY N N 15 103.047 0.01 . 6 . . . . . 68 Gly N . 27378 1 194 . 1 1 69 69 HIS H H 1 8.305 0.001 . 6 . . . . . 69 His H . 27378 1 195 . 1 1 69 69 HIS CA C 13 54.524 0.011 . 6 . . . . . 69 His CA . 27378 1 196 . 1 1 69 69 HIS N N 15 119.449 0.01 . 6 . . . . . 69 His N . 27378 1 197 . 1 1 70 70 LYS H H 1 8.986 0.001 . 6 . . . . . 70 Lys H . 27378 1 198 . 1 1 70 70 LYS CA C 13 57.74 0.011 . 6 . . . . . 70 Lys CA . 27378 1 199 . 1 1 70 70 LYS N N 15 125.534 0.01 . 6 . . . . . 70 Lys N . 27378 1 200 . 1 1 71 71 ALA H H 1 8.808 0.001 . 6 . . . . . 71 Ala H . 27378 1 201 . 1 1 71 71 ALA CA C 13 50.792 0.011 . 6 . . . . . 71 Ala CA . 27378 1 202 . 1 1 71 71 ALA N N 15 126.334 0.01 . 6 . . . . . 71 Ala N . 27378 1 203 . 1 1 72 72 ILE H H 1 8.463 0.001 . 6 . . . . . 72 Ile H . 27378 1 204 . 1 1 72 72 ILE CA C 13 60.001 0.011 . 6 . . . . . 72 Ile CA . 27378 1 205 . 1 1 72 72 ILE N N 15 119.464 0.01 . 6 . . . . . 72 Ile N . 27378 1 206 . 1 1 73 73 GLY H H 1 8.449 0.001 . 6 . . . . . 73 Gly H . 27378 1 207 . 1 1 73 73 GLY CA C 13 46.018 0.011 . 6 . . . . . 73 Gly CA . 27378 1 208 . 1 1 73 73 GLY N N 15 112.24 0.01 . 6 . . . . . 73 Gly N . 27378 1 209 . 1 1 74 74 THR H H 1 8.73 0.001 . 6 . . . . . 74 Thr H . 27378 1 210 . 1 1 74 74 THR CA C 13 63.457 0.011 . 6 . . . . . 74 Thr CA . 27378 1 211 . 1 1 74 74 THR N N 15 118.53 0.01 . 6 . . . . . 74 Thr N . 27378 1 212 . 1 1 75 75 VAL H H 1 9.241 0.001 . 6 . . . . . 75 Val H . 27378 1 213 . 1 1 75 75 VAL CA C 13 61.458 0.011 . 6 . . . . . 75 Val CA . 27378 1 214 . 1 1 75 75 VAL N N 15 126.683 0.01 . 6 . . . . . 75 Val N . 27378 1 215 . 1 1 76 76 LEU H H 1 8.187 0.001 . 6 . . . . . 76 Leu H . 27378 1 216 . 1 1 76 76 LEU CA C 13 52.318 0.011 . 6 . . . . . 76 Leu CA . 27378 1 217 . 1 1 76 76 LEU N N 15 125.135 0.01 . 6 . . . . . 76 Leu N . 27378 1 218 . 1 1 77 77 VAL H H 1 9.104 0.001 . 6 . . . . . 77 Val H . 27378 1 219 . 1 1 77 77 VAL CA C 13 59.881 0.011 . 6 . . . . . 77 Val CA . 27378 1 220 . 1 1 77 77 VAL N N 15 121.368 0.01 . 6 . . . . . 77 Val N . 27378 1 221 . 1 1 78 78 GLY H H 1 8.96 0.001 . 6 . . . . . 78 Gly H . 27378 1 222 . 1 1 78 78 GLY CA C 13 45.825 0.011 . 6 . . . . . 78 Gly CA . 27378 1 223 . 1 1 78 78 GLY N N 15 113.717 0.01 . 6 . . . . . 78 Gly N . 27378 1 224 . 1 1 79 79 PRO CA C 13 63.266 0.011 . 6 . . . . . 79 Pro CA . 27378 1 225 . 1 1 80 80 THR H H 1 8.324 0.001 . 6 . . . . . 80 Thr H . 27378 1 226 . 1 1 80 80 THR CA C 13 56.44 0.011 . 6 . . . . . 80 Thr CA . 27378 1 227 . 1 1 80 80 THR N N 15 119.115 0.01 . 6 . . . . . 80 Thr N . 27378 1 228 . 1 1 81 81 PRO CA C 13 63.963 0.011 . 6 . . . . . 81 Pro CA . 27378 1 229 . 1 1 82 82 VAL H H 1 7.15 0.001 . 1 . . . . . 82 Val H A 27378 1 230 . 1 1 82 82 VAL CA C 13 60.069 0.011 . 1 . . . . . 82 Val CA A 27378 1 231 . 1 1 82 82 VAL N N 15 115.639 0.01 . 1 . . . . . 82 Val N A 27378 1 232 . 1 1 83 83 ASN H H 1 8.616 0.001 . 1 . . . . . 83 Asn H A 27378 1 233 . 1 1 83 83 ASN CA C 13 53.753 0.011 . 1 . . . . . 83 Asn CA A 27378 1 234 . 1 1 83 83 ASN N N 15 121.57 0.01 . 1 . . . . . 83 Asn N A 27378 1 235 . 1 1 84 84 ILE H H 1 9.418 0.001 . 1 . . . . . 84 Ile H A 27378 1 236 . 1 1 84 84 ILE CA C 13 59.774 0.011 . 1 . . . . . 84 Ile CA A 27378 1 237 . 1 1 84 84 ILE N N 15 120.807 0.01 . 1 . . . . . 84 Ile N A 27378 1 238 . 1 1 85 85 ILE H H 1 8.737 0.001 . 1 . . . . . 85 Ile H A 27378 1 239 . 1 1 85 85 ILE CA C 13 57.852 0.011 . 1 . . . . . 85 Ile CA A 27378 1 240 . 1 1 85 85 ILE N N 15 122.101 0.01 . 1 . . . . . 85 Ile N A 27378 1 241 . 1 1 86 86 GLY H H 1 8.155 0.001 . 1 . . . . . 86 Gly H A 27378 1 242 . 1 1 86 86 GLY CA C 13 43.444 0.011 . 1 . . . . . 86 Gly CA A 27378 1 243 . 1 1 86 86 GLY N N 15 113.748 0.01 . 1 . . . . . 86 Gly N A 27378 1 244 . 1 1 87 87 ARG H H 1 9.391 0.001 . 1 . . . . . 87 Arg H A 27378 1 245 . 1 1 87 87 ARG CA C 13 61.305 0.011 . 1 . . . . . 87 Arg CA A 27378 1 246 . 1 1 87 87 ARG N N 15 116.763 0.01 . 1 . . . . . 87 Arg N A 27378 1 247 . 1 1 88 88 ASN H H 1 7.959 0.001 . 1 . . . . . 88 Asn H A 27378 1 248 . 1 1 88 88 ASN CA C 13 56.963 0.011 . 1 . . . . . 88 Asn CA A 27378 1 249 . 1 1 88 88 ASN N N 15 115.957 0.01 . 1 . . . . . 88 Asn N A 27378 1 250 . 1 1 89 89 LEU H H 1 6.885 0.001 . 1 . . . . . 89 Leu H A 27378 1 251 . 1 1 89 89 LEU CA C 13 55.193 0.011 . 1 . . . . . 89 Leu CA A 27378 1 252 . 1 1 89 89 LEU N N 15 116.401 0.01 . 1 . . . . . 89 Leu N A 27378 1 253 . 1 1 90 90 LEU H H 1 8.276 0.001 . 6 . . . . . 90 Leu H . 27378 1 254 . 1 1 90 90 LEU CA C 13 57.845 0.011 . 6 . . . . . 90 Leu CA . 27378 1 255 . 1 1 90 90 LEU N N 15 120.103 0.01 . 6 . . . . . 90 Leu N . 27378 1 256 . 1 1 91 91 THR H H 1 7.85 0.001 . 6 . . . . . 91 Thr H . 27378 1 257 . 1 1 91 91 THR CA C 13 63.564 0.011 . 6 . . . . . 91 Thr CA . 27378 1 258 . 1 1 91 91 THR N N 15 106.146 0.01 . 6 . . . . . 91 Thr N . 27378 1 259 . 1 1 92 92 GLN H H 1 6.65 0.001 . 6 . . . . . 92 Gln H . 27378 1 260 . 1 1 92 92 GLN CA C 13 57.74 0.011 . 6 . . . . . 92 Gln CA . 27378 1 261 . 1 1 92 92 GLN N N 15 120.131 0.01 . 6 . . . . . 92 Gln N . 27378 1 262 . 1 1 93 93 ILE H H 1 6.932 0.001 . 6 . . . . . 93 Ile H . 27378 1 263 . 1 1 93 93 ILE CA C 13 60.465 0.011 . 6 . . . . . 93 Ile CA . 27378 1 264 . 1 1 93 93 ILE N N 15 108.593 0.01 . 6 . . . . . 93 Ile N . 27378 1 265 . 1 1 94 94 GLY H H 1 7.218 0.001 . 6 . . . . . 94 Gly H . 27378 1 266 . 1 1 94 94 GLY CA C 13 45.951 0.011 . 6 . . . . . 94 Gly CA . 27378 1 267 . 1 1 94 94 GLY N N 15 108.169 0.01 . 6 . . . . . 94 Gly N . 27378 1 268 . 1 1 95 95 ALA H H 1 7.529 0.001 . 6 . . . . . 95 Ala H . 27378 1 269 . 1 1 95 95 ALA CA C 13 51.421 0.011 . 6 . . . . . 95 Ala CA . 27378 1 270 . 1 1 95 95 ALA N N 15 120.43 0.01 . 6 . . . . . 95 Ala N . 27378 1 271 . 1 1 96 96 THR H H 1 8.991 0.001 . 6 . . . . . 96 Thr H . 27378 1 272 . 1 1 96 96 THR CA C 13 59.365 0.011 . 6 . . . . . 96 Thr CA . 27378 1 273 . 1 1 96 96 THR N N 15 108.994 0.01 . 6 . . . . . 96 Thr N . 27378 1 274 . 1 1 97 97 LEU H H 1 8.564 0.001 . 6 . . . . . 97 Leu H . 27378 1 275 . 1 1 97 97 LEU CA C 13 53.349 0.011 . 6 . . . . . 97 Leu CA . 27378 1 276 . 1 1 97 97 LEU N N 15 121.217 0.01 . 6 . . . . . 97 Leu N . 27378 1 277 . 1 1 98 98 ASN H H 1 8.911 0.001 . 6 . . . . . 98 Asn H . 27378 1 278 . 1 1 98 98 ASN CA C 13 52.845 0.011 . 6 . . . . . 98 Asn CA . 27378 1 279 . 1 1 98 98 ASN N N 15 121.648 0.01 . 6 . . . . . 98 Asn N . 27378 1 280 . 1 1 99 99 PHE H H 1 8.005 0.001 . 6 . . . . . 99 Phe H . 27378 1 281 . 1 1 99 99 PHE CA C 13 58.904 0.011 . 6 . . . . . 99 Phe CA . 27378 1 282 . 1 1 99 99 PHE N N 15 122.07 0.01 . 6 . . . . . 99 Phe N . 27378 1 283 . 2 1 2 2 GLN CA C 13 55.469 0.011 . 6 . . . . . 2 Gln CA . 27378 1 284 . 2 1 3 3 ILE H H 1 9.478 0.001 . 6 . . . . . 3 Ile H . 27378 1 285 . 2 1 3 3 ILE CA C 13 55.481 0.011 . 6 . . . . . 3 Ile CA . 27378 1 286 . 2 1 3 3 ILE N N 15 128.103 0.01 . 6 . . . . . 3 Ile N . 27378 1 287 . 2 1 4 4 THR H H 1 8.337 0.001 . 6 . . . . . 4 Thr H . 27378 1 288 . 2 1 4 4 THR CA C 13 60.813 0.011 . 6 . . . . . 4 Thr CA . 27378 1 289 . 2 1 4 4 THR N N 15 115.752 0.01 . 6 . . . . . 4 Thr N . 27378 1 290 . 2 1 5 5 LEU H H 1 9.125 0.001 . 6 . . . . . 5 Leu H . 27378 1 291 . 2 1 5 5 LEU CA C 13 54.112 0.011 . 6 . . . . . 5 Leu CA . 27378 1 292 . 2 1 5 5 LEU N N 15 116.926 0.01 . 6 . . . . . 5 Leu N . 27378 1 293 . 2 1 7 7 LYS CA C 13 53.558 0.011 . 6 . . . . . 7 Lys CA . 27378 1 294 . 2 1 8 8 ARG H H 1 8.791 0.001 . 6 . . . . . 8 Arg H . 27378 1 295 . 2 1 8 8 ARG CA C 13 56.12 0.011 . 6 . . . . . 8 Arg CA . 27378 1 296 . 2 1 8 8 ARG N N 15 120.691 0.01 . 6 . . . . . 8 Arg N . 27378 1 297 . 2 1 9 9 PRO CA C 13 61.631 0.011 . 6 . . . . . 9 Pro CA . 27378 1 298 . 2 1 10 10 LEU H H 1 7.642 0.001 . 6 . . . . . 10 Leu H . 27378 1 299 . 2 1 10 10 LEU CA C 13 53.71 0.011 . 6 . . . . . 10 Leu CA . 27378 1 300 . 2 1 10 10 LEU N N 15 126.507 0.01 . 6 . . . . . 10 Leu N . 27378 1 301 . 2 1 11 11 VAL H H 1 9.171 0.001 . 6 . . . . . 11 Val H . 27378 1 302 . 2 1 11 11 VAL N N 15 115.871 0.01 . 6 . . . . . 11 Val N . 27378 1 303 . 2 1 12 12 THR H H 1 8.508 0.001 . 6 . . . . . 12 Thr H . 27378 1 304 . 2 1 12 12 THR N N 15 116.862 0.01 . 6 . . . . . 12 Thr N . 27378 1 305 . 2 1 13 13 ILE H H 1 9.315 0.001 . 6 . . . . . 13 Ile H . 27378 1 306 . 2 1 13 13 ILE CA C 13 57.966 0.011 . 6 . . . . . 13 Ile CA . 27378 1 307 . 2 1 13 13 ILE N N 15 120.729 0.01 . 6 . . . . . 13 Ile N . 27378 1 308 . 2 1 14 14 ARG H H 1 8.55 0.001 . 6 . . . . . 14 Arg H . 27378 1 309 . 2 1 14 14 ARG N N 15 119.945 0.01 . 6 . . . . . 14 Arg N . 27378 1 310 . 2 1 15 15 ILE H H 1 8.944 0.001 . 6 . . . . . 15 Ile H . 27378 1 311 . 2 1 15 15 ILE N N 15 124.94 0.01 . 6 . . . . . 15 Ile N . 27378 1 312 . 2 1 18 18 GLN H H 1 8.026 0.001 . 6 . . . . . 18 Gln H . 27378 1 313 . 2 1 18 18 GLN N N 15 119.999 0.01 . 6 . . . . . 18 Gln N . 27378 1 314 . 2 1 21 21 GLU CA C 13 54.941 0.011 . 6 . . . . . 21 Glu CA . 27378 1 315 . 2 1 22 22 ALA H H 1 9.254 0.001 . 1 . . . . . 22 Ala H B 27378 1 316 . 2 1 22 22 ALA CA C 13 50.725 0.011 . 1 . . . . . 22 Ala CA B 27378 1 317 . 2 1 22 22 ALA N N 15 125.738 0.01 . 1 . . . . . 22 Ala N B 27378 1 318 . 2 1 23 23 LEU H H 1 8.748 0.001 . 1 . . . . . 23 Leu H B 27378 1 319 . 2 1 23 23 LEU CA C 13 53.711 0.011 . 1 . . . . . 23 Leu CA B 27378 1 320 . 2 1 23 23 LEU N N 15 120.834 0.01 . 1 . . . . . 23 Leu N B 27378 1 321 . 2 1 24 24 LEU H H 1 8.282 0.001 . 1 . . . . . 24 Leu H B 27378 1 322 . 2 1 24 24 LEU CA C 13 54.757 0.011 . 1 . . . . . 24 Leu CA B 27378 1 323 . 2 1 24 24 LEU N N 15 122.615 0.01 . 1 . . . . . 24 Leu N B 27378 1 324 . 2 1 25 25 ASP H H 1 8.67 0.001 . 1 . . . . . 25 Asp H B 27378 1 325 . 2 1 25 25 ASP CA C 13 53.185 0.011 . 1 . . . . . 25 Asp CA B 27378 1 326 . 2 1 25 25 ASP N N 15 127.008 0.01 . 1 . . . . . 25 Asp N B 27378 1 327 . 2 1 26 26 THR H H 1 8.418 0.001 . 1 . . . . . 26 Thr H B 27378 1 328 . 2 1 26 26 THR N N 15 112.633 0.01 . 1 . . . . . 26 Thr N B 27378 1 329 . 2 1 27 27 GLY H H 1 9.436 0.001 . 1 . . . . . 27 Gly H B 27378 1 330 . 2 1 27 27 GLY CA C 13 44.992 0.011 . 1 . . . . . 27 Gly CA B 27378 1 331 . 2 1 27 27 GLY N N 15 109.268 0.01 . 1 . . . . . 27 Gly N B 27378 1 332 . 2 1 28 28 ALA H H 1 6.893 0.001 . 1 . . . . . 28 Ala H B 27378 1 333 . 2 1 28 28 ALA CA C 13 49.066 0.011 . 1 . . . . . 28 Ala CA B 27378 1 334 . 2 1 28 28 ALA N N 15 124.433 0.01 . 1 . . . . . 28 Ala N B 27378 1 335 . 2 1 29 29 ASP H H 1 8.538 0.001 . 1 . . . . . 29 Asp H B 27378 1 336 . 2 1 29 29 ASP CA C 13 58.281 0.011 . 1 . . . . . 29 Asp CA B 27378 1 337 . 2 1 29 29 ASP N N 15 124.466 0.01 . 1 . . . . . 29 Asp N B 27378 1 338 . 2 1 30 30 ASP H H 1 7.169 0.001 . 1 . . . . . 30 Asp H B 27378 1 339 . 2 1 30 30 ASP CA C 13 52.867 0.011 . 1 . . . . . 30 Asp CA B 27378 1 340 . 2 1 30 30 ASP N N 15 112.923 0.01 . 1 . . . . . 30 Asp N B 27378 1 341 . 2 1 31 31 THR H H 1 7.756 0.001 . 1 . . . . . 31 Thr H B 27378 1 342 . 2 1 31 31 THR CA C 13 63.797 0.011 . 1 . . . . . 31 Thr CA B 27378 1 343 . 2 1 31 31 THR N N 15 119.641 0.01 . 1 . . . . . 31 Thr N B 27378 1 344 . 2 1 32 32 VAL H H 1 9.081 0.001 . 1 . . . . . 32 Val H B 27378 1 345 . 2 1 32 32 VAL CA C 13 59.286 0.011 . 1 . . . . . 32 Val CA B 27378 1 346 . 2 1 32 32 VAL N N 15 127.94 0.01 . 1 . . . . . 32 Val N B 27378 1 347 . 2 1 33 33 ILE H H 1 9.235 0.001 . 1 . . . . . 33 Ile H B 27378 1 348 . 2 1 33 33 ILE CA C 13 56.795 0.011 . 1 . . . . . 33 Ile CA B 27378 1 349 . 2 1 33 33 ILE N N 15 125.875 0.01 . 1 . . . . . 33 Ile N B 27378 1 350 . 2 1 34 34 GLU H H 1 8.00 0.001 . 1 . . . . . 34 Glu H B 27378 1 351 . 2 1 34 34 GLU CA C 13 55.288 0.011 . 1 . . . . . 34 Glu CA B 27378 1 352 . 2 1 34 34 GLU N N 15 120.042 0.01 . 1 . . . . . 34 Glu N B 27378 1 353 . 2 1 35 35 GLU H H 1 7.231 0.001 . 1 . . . . . 35 Glu H B 27378 1 354 . 2 1 35 35 GLU CA C 13 58.306 0.011 . 1 . . . . . 35 Glu CA B 27378 1 355 . 2 1 35 35 GLU N N 15 115.093 0.01 . 1 . . . . . 35 Glu N B 27378 1 356 . 2 1 36 36 MET H H 1 6.964 0.001 . 1 . . . . . 36 Met H B 27378 1 357 . 2 1 36 36 MET CA C 13 54.676 0.011 . 6 . . . . . 36 Met CA B 27378 1 358 . 2 1 36 36 MET N N 15 120.724 0.01 . 1 . . . . . 36 Met N B 27378 1 359 . 2 1 37 37 ASN H H 1 8.65 0.001 . 6 . . . . . 37 Asn H . 27378 1 360 . 2 1 37 37 ASN CA C 13 52.53 0.011 . 6 . . . . . 37 Asn CA . 27378 1 361 . 2 1 37 37 ASN N N 15 118.779 0.01 . 6 . . . . . 37 Asn N . 27378 1 362 . 2 1 38 38 LEU H H 1 7.396 0.001 . 6 . . . . . 38 Leu H . 27378 1 363 . 2 1 38 38 LEU CA C 13 51.755 0.011 . 6 . . . . . 38 Leu CA . 27378 1 364 . 2 1 38 38 LEU N N 15 124.814 0.01 . 6 . . . . . 38 Leu N . 27378 1 365 . 2 1 41 41 LYS H H 1 8.403 0.001 . 6 . . . . . 41 Lys H . 27378 1 366 . 2 1 41 41 LYS CA C 13 56.202 0.011 . 6 . . . . . 41 Lys CA . 27378 1 367 . 2 1 41 41 LYS N N 15 119.067 0.01 . 6 . . . . . 41 Lys N . 27378 1 368 . 2 1 42 42 TRP H H 1 7.384 0.001 . 6 . . . . . 42 Trp H . 27378 1 369 . 2 1 42 42 TRP CA C 13 53.702 0.011 . 6 . . . . . 42 Trp CA . 27378 1 370 . 2 1 42 42 TRP N N 15 117.772 0.01 . 6 . . . . . 42 Trp N . 27378 1 371 . 2 1 43 43 LYS H H 1 8.222 0.001 . 6 . . . . . 43 Lys H . 27378 1 372 . 2 1 43 43 LYS CA C 13 52.828 0.011 . 6 . . . . . 43 Lys CA . 27378 1 373 . 2 1 43 43 LYS N N 15 117.808 0.01 . 6 . . . . . 43 Lys N . 27378 1 374 . 2 1 46 46 MET H H 1 8.437 0.001 . 1 . . . . . 46 Met H B 27378 1 375 . 2 1 46 46 MET CA C 13 54.226 0.011 . 1 . . . . . 46 Met CA B 27378 1 376 . 2 1 46 46 MET N N 15 122.399 0.01 . 1 . . . . . 46 Met N B 27378 1 377 . 2 1 47 47 ILE H H 1 8.641 0.001 . 1 . . . . . 47 Ile H B 27378 1 378 . 2 1 47 47 ILE N N 15 116.257 0.01 . 1 . . . . . 47 Ile N B 27378 1 379 . 2 1 48 48 GLY H H 1 8.481 0.001 . 1 . . . . . 48 Gly H B 27378 1 380 . 2 1 48 48 GLY CA C 13 44.594 0.011 . 1 . . . . . 48 Gly CA B 27378 1 381 . 2 1 48 48 GLY N N 15 108.493 0.01 . 1 . . . . . 48 Gly N B 27378 1 382 . 2 1 49 49 GLY H H 1 7.47 0.001 . 1 . . . . . 49 Gly H B 27378 1 383 . 2 1 49 49 GLY N N 15 107.031 0.01 . 1 . . . . . 49 Gly N B 27378 1 384 . 2 1 50 50 ILE H H 1 8.431 0.001 . 1 . . . . . 50 Ile H B 27378 1 385 . 2 1 50 50 ILE N N 15 126.159 0.01 . 1 . . . . . 50 Ile N B 27378 1 386 . 2 1 52 52 GLY H H 1 7.234 0.001 . 1 . . . . . 52 Gly H B 27378 1 387 . 2 1 52 52 GLY CA C 13 44.304 0.011 . 1 . . . . . 52 Gly CA B 27378 1 388 . 2 1 52 52 GLY N N 15 104.823 0.01 . 1 . . . . . 52 Gly N B 27378 1 389 . 2 1 53 53 PHE H H 1 8.458 0.001 . 1 . . . . . 53 Phe H B 27378 1 390 . 2 1 53 53 PHE CA C 13 56.223 0.011 . 1 . . . . . 53 Phe CA B 27378 1 391 . 2 1 53 53 PHE N N 15 119.375 0.01 . 1 . . . . . 53 Phe N B 27378 1 392 . 2 1 54 54 ILE H H 1 8.649 0.001 . 1 . . . . . 54 Ile H B 27378 1 393 . 2 1 54 54 ILE CA C 13 59.628 0.011 . 1 . . . . . 54 Ile CA B 27378 1 394 . 2 1 54 54 ILE N N 15 111.919 0.01 . 1 . . . . . 54 Ile N B 27378 1 395 . 2 1 55 55 LYS CA C 13 56.185 0.011 . 1 . . . . . 55 Lys CA B 27378 1 396 . 2 1 56 56 VAL H H 1 8.83 0.001 . 1 . . . . . 56 Val H B 27378 1 397 . 2 1 56 56 VAL CA C 13 57.99 0.011 . 1 . . . . . 56 Val CA B 27378 1 398 . 2 1 56 56 VAL N N 15 115.231 0.01 . 1 . . . . . 56 Val N B 27378 1 399 . 2 1 57 57 ARG H H 1 9.053 0.001 . 1 . . . . . 57 Arg H B 27378 1 400 . 2 1 57 57 ARG CA C 13 55.294 0.011 . 1 . . . . . 57 Arg CA B 27378 1 401 . 2 1 57 57 ARG N N 15 119.325 0.01 . 1 . . . . . 57 Arg N B 27378 1 402 . 2 1 58 58 GLN H H 1 9.742 0.001 . 1 . . . . . 58 Gln H B 27378 1 403 . 2 1 58 58 GLN CA C 13 56.026 0.011 . 1 . . . . . 58 Gln CA B 27378 1 404 . 2 1 58 58 GLN N N 15 123.518 0.01 . 1 . . . . . 58 Gln N B 27378 1 405 . 2 1 59 59 TYR H H 1 9.161 0.001 . 1 . . . . . 59 Tyr H B 27378 1 406 . 2 1 59 59 TYR CA C 13 57.465 0.011 . 1 . . . . . 59 Tyr CA B 27378 1 407 . 2 1 59 59 TYR N N 15 129.116 0.01 . 1 . . . . . 59 Tyr N B 27378 1 408 . 2 1 60 60 ASP H H 1 8.988 0.001 . 1 . . . . . 60 Asp H B 27378 1 409 . 2 1 60 60 ASP CA C 13 53.697 0.011 . 1 . . . . . 60 Asp CA B 27378 1 410 . 2 1 60 60 ASP N N 15 120.616 0.01 . 1 . . . . . 60 Asp N B 27378 1 411 . 2 1 61 61 GLN H H 1 8.917 0.001 . 1 . . . . . 61 Gln H B 27378 1 412 . 2 1 61 61 GLN CA C 13 56.271 0.011 . 1 . . . . . 61 Gln CA B 27378 1 413 . 2 1 61 61 GLN N N 15 114.059 0.01 . 1 . . . . . 61 Gln N B 27378 1 414 . 2 1 62 62 ILE H H 1 8.739 0.001 . 1 . . . . . 62 Ile H B 27378 1 415 . 2 1 62 62 ILE CA C 13 55.062 0.011 . 1 . . . . . 62 Ile CA B 27378 1 416 . 2 1 62 62 ILE N N 15 122.395 0.01 . 1 . . . . . 62 Ile N B 27378 1 417 . 2 1 63 63 PRO CA C 13 61.915 0.011 . 6 . . . . . 63 Pro CA . 27378 1 418 . 2 1 64 64 ILE H H 1 8.89 0.001 . 6 . . . . . 64 Ile H . 27378 1 419 . 2 1 64 64 ILE CA C 13 59.176 0.011 . 6 . . . . . 64 Ile CA . 27378 1 420 . 2 1 64 64 ILE N N 15 123.877 0.01 . 6 . . . . . 64 Ile N . 27378 1 421 . 2 1 65 65 GLU CA C 13 54.197 0.011 . 6 . . . . . 65 Glu CA . 27378 1 422 . 2 1 66 66 ILE H H 1 9.175 0.001 . 6 . . . . . 66 Ile H . 27378 1 423 . 2 1 66 66 ILE N N 15 125.009 0.01 . 6 . . . . . 66 Ile N . 27378 1 424 . 2 1 68 68 GLY H H 1 8.696 0.001 . 6 . . . . . 68 Gly H . 27378 1 425 . 2 1 68 68 GLY N N 15 103.085 0.01 . 6 . . . . . 68 Gly N . 27378 1 426 . 2 1 72 72 ILE H H 1 8.462 0.001 . 6 . . . . . 72 Ile H . 27378 1 427 . 2 1 72 72 ILE N N 15 119.472 0.01 . 6 . . . . . 72 Ile N . 27378 1 428 . 2 1 73 73 GLY H H 1 8.506 0.001 . 6 . . . . . 73 Gly H . 27378 1 429 . 2 1 73 73 GLY CA C 13 46.008 0.011 . 6 . . . . . 73 Gly CA . 27378 1 430 . 2 1 73 73 GLY N N 15 112.472 0.01 . 6 . . . . . 73 Gly N . 27378 1 431 . 2 1 74 74 THR H H 1 8.63 0.001 . 6 . . . . . 74 Thr H . 27378 1 432 . 2 1 74 74 THR CA C 13 63.562 0.011 . 6 . . . . . 74 Thr CA . 27378 1 433 . 2 1 74 74 THR N N 15 118.796 0.01 . 6 . . . . . 74 Thr N . 27378 1 434 . 2 1 75 75 VAL H H 1 9.041 0.001 . 6 . . . . . 75 Val H . 27378 1 435 . 2 1 75 75 VAL CA C 13 61.674 0.011 . 6 . . . . . 75 Val CA . 27378 1 436 . 2 1 75 75 VAL N N 15 125.024 0.01 . 6 . . . . . 75 Val N . 27378 1 437 . 2 1 76 76 LEU H H 1 8.246 0.001 . 6 . . . . . 76 Leu H . 27378 1 438 . 2 1 76 76 LEU CA C 13 52.42 0.011 . 6 . . . . . 76 Leu CA . 27378 1 439 . 2 1 76 76 LEU N N 15 125.312 0.01 . 6 . . . . . 76 Leu N . 27378 1 440 . 2 1 77 77 VAL H H 1 9.121 0.001 . 6 . . . . . 77 Val H . 27378 1 441 . 2 1 77 77 VAL CA C 13 59.83 0.011 . 6 . . . . . 77 Val CA . 27378 1 442 . 2 1 77 77 VAL N N 15 121.92 0.01 . 6 . . . . . 77 Val N . 27378 1 443 . 2 1 78 78 GLY H H 1 9.048 0.001 . 6 . . . . . 78 Gly H . 27378 1 444 . 2 1 78 78 GLY CA C 13 45.856 0.011 . 6 . . . . . 78 Gly CA . 27378 1 445 . 2 1 78 78 GLY N N 15 114.968 0.01 . 6 . . . . . 78 Gly N . 27378 1 446 . 2 1 79 79 PRO CA C 13 63.336 0.011 . 6 . . . . . 79 Pro CA . 27378 1 447 . 2 1 80 80 THR H H 1 8.33 0.001 . 6 . . . . . 80 Thr H . 27378 1 448 . 2 1 80 80 THR CA C 13 56.549 0.011 . 6 . . . . . 80 Thr CA . 27378 1 449 . 2 1 80 80 THR N N 15 119.935 0.01 . 6 . . . . . 80 Thr N . 27378 1 450 . 2 1 81 81 PRO CA C 13 63.995 0.011 . 6 . . . . . 81 Pro CA . 27378 1 451 . 2 1 82 82 VAL H H 1 6.942 0.001 . 1 . . . . . 82 Val H B 27378 1 452 . 2 1 82 82 VAL CA C 13 59.458 0.011 . 1 . . . . . 82 Val CA B 27378 1 453 . 2 1 82 82 VAL N N 15 113.865 0.01 . 1 . . . . . 82 Val N B 27378 1 454 . 2 1 83 83 ASN H H 1 8.502 0.001 . 1 . . . . . 83 Asn H B 27378 1 455 . 2 1 83 83 ASN CA C 13 54.046 0.011 . 1 . . . . . 83 Asn CA B 27378 1 456 . 2 1 83 83 ASN N N 15 122.367 0.01 . 1 . . . . . 83 Asn N B 27378 1 457 . 2 1 84 84 ILE H H 1 9.728 0.001 . 1 . . . . . 84 Ile H B 27378 1 458 . 2 1 84 84 ILE CA C 13 61.278 0.011 . 1 . . . . . 84 Ile CA B 27378 1 459 . 2 1 84 84 ILE N N 15 126.48 0.01 . 1 . . . . . 84 Ile N B 27378 1 460 . 2 1 85 85 ILE H H 1 9.252 0.001 . 1 . . . . . 85 Ile H B 27378 1 461 . 2 1 85 85 ILE CA C 13 58.213 0.011 . 1 . . . . . 85 Ile CA B 27378 1 462 . 2 1 85 85 ILE N N 15 126.024 0.01 . 1 . . . . . 85 Ile N B 27378 1 463 . 2 1 86 86 GLY H H 1 8.047 0.001 . 1 . . . . . 86 Gly H B 27378 1 464 . 2 1 86 86 GLY CA C 13 43.537 0.011 . 1 . . . . . 86 Gly CA B 27378 1 465 . 2 1 86 86 GLY N N 15 112.461 0.01 . 1 . . . . . 86 Gly N B 27378 1 466 . 2 1 87 87 ARG H H 1 9.218 0.001 . 1 . . . . . 87 Arg H B 27378 1 467 . 2 1 87 87 ARG CA C 13 61.364 0.011 . 1 . . . . . 87 Arg CA B 27378 1 468 . 2 1 87 87 ARG N N 15 116.957 0.01 . 1 . . . . . 87 Arg N B 27378 1 469 . 2 1 88 88 ASN H H 1 7.884 0.001 . 1 . . . . . 88 Asn H B 27378 1 470 . 2 1 88 88 ASN CA C 13 56.79 0.011 . 1 . . . . . 88 Asn CA B 27378 1 471 . 2 1 88 88 ASN N N 15 115.129 0.01 . 1 . . . . . 88 Asn N B 27378 1 472 . 2 1 89 89 LEU H H 1 6.948 0.001 . 1 . . . . . 89 Leu H B 27378 1 473 . 2 1 89 89 LEU CA C 13 55.122 0.011 . 1 . . . . . 89 Leu CA B 27378 1 474 . 2 1 89 89 LEU N N 15 115.853 0.01 . 1 . . . . . 89 Leu N B 27378 1 475 . 2 1 92 92 GLN H H 1 6.701 0.001 . 6 . . . . . 92 Gln H . 27378 1 476 . 2 1 92 92 GLN N N 15 120.414 0.01 . 6 . . . . . 92 Gln N . 27378 1 477 . 2 1 93 93 ILE H H 1 6.952 0.001 . 6 . . . . . 93 Ile H . 27378 1 478 . 2 1 93 93 ILE CA C 13 60.508 0.011 . 6 . . . . . 93 Ile CA . 27378 1 479 . 2 1 93 93 ILE N N 15 108.671 0.01 . 6 . . . . . 93 Ile N . 27378 1 480 . 2 1 94 94 GLY CA C 13 45.973 0.011 . 6 . . . . . 94 Gly CA . 27378 1 481 . 2 1 95 95 ALA H H 1 7.48 0.001 . 6 . . . . . 95 Ala H . 27378 1 482 . 2 1 95 95 ALA CA C 13 51.497 0.011 . 6 . . . . . 95 Ala CA . 27378 1 483 . 2 1 95 95 ALA N N 15 120.272 0.01 . 6 . . . . . 95 Ala N . 27378 1 484 . 2 1 96 96 THR H H 1 8.982 0.001 . 6 . . . . . 96 Thr H . 27378 1 485 . 2 1 96 96 THR CA C 13 59.408 0.011 . 6 . . . . . 96 Thr CA . 27378 1 486 . 2 1 96 96 THR N N 15 108.976 0.01 . 6 . . . . . 96 Thr N . 27378 1 487 . 2 1 97 97 LEU H H 1 8.494 0.001 . 6 . . . . . 97 Leu H . 27378 1 488 . 2 1 97 97 LEU CA C 13 53.223 0.011 . 6 . . . . . 97 Leu CA . 27378 1 489 . 2 1 97 97 LEU N N 15 121.72 0.01 . 6 . . . . . 97 Leu N . 27378 1 490 . 2 1 98 98 ASN H H 1 8.902 0.001 . 6 . . . . . 98 Asn H . 27378 1 491 . 2 1 98 98 ASN CA C 13 52.778 0.011 . 6 . . . . . 98 Asn CA . 27378 1 492 . 2 1 98 98 ASN N N 15 121.51 0.01 . 6 . . . . . 98 Asn N . 27378 1 493 . 2 1 99 99 PHE H H 1 7.966 0.001 . 6 . . . . . 99 Phe H . 27378 1 494 . 2 1 99 99 PHE CA C 13 58.974 0.011 . 6 . . . . . 99 Phe CA . 27378 1 495 . 2 1 99 99 PHE N N 15 121.618 0.01 . 6 . . . . . 99 Phe N . 27378 1 stop_ save_