################################### # 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 16920 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . 16920 1 8 '3D 1H-15N NOESY' . . . 16920 1 9 '3D 1H-13C NOESY' . . . 16920 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 3 $SPARKY . . 16920 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.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 A H1' H 1 5.914 0.002 . 1 . . . . 1 A H1' . 16920 1 2 . 1 1 1 1 A H2 H 1 7.920 0.003 . 1 . . . . 1 A H2 . 16920 1 3 . 1 1 1 1 A H2' H 1 4.813 0.003 . 1 . . . . 1 A H2' . 16920 1 4 . 1 1 1 1 A H3' H 1 4.596 0.002 . 1 . . . . 1 A H3' . 16920 1 5 . 1 1 1 1 A H4' H 1 4.445 0.005 . 1 . . . . 1 A H4' . 16920 1 6 . 1 1 1 1 A H5' H 1 4.036 0.008 . 2 . . . . 1 A H5' . 16920 1 7 . 1 1 1 1 A H5'' H 1 3.905 0.008 . 2 . . . . 1 A H5'' . 16920 1 8 . 1 1 1 1 A H8 H 1 8.224 0.004 . 1 . . . . 1 A H8 . 16920 1 9 . 1 1 2 2 A H1' H 1 5.980 0.005 . 1 . . . . 2 A H1' . 16920 1 10 . 1 1 2 2 A H2 H 1 8.083 0.001 . 1 . . . . 2 A H2 . 16920 1 11 . 1 1 2 2 A H2' H 1 4.459 0.004 . 1 . . . . 2 A H2' . 16920 1 12 . 1 1 2 2 A H3' H 1 4.816 0.001 . 1 . . . . 2 A H3' . 16920 1 13 . 1 1 2 2 A H4' H 1 4.550 0.003 . 1 . . . . 2 A H4' . 16920 1 14 . 1 1 2 2 A H5' H 1 4.595 0.003 . 2 . . . . 2 A H5' . 16920 1 15 . 1 1 2 2 A H5'' H 1 4.259 0.006 . 2 . . . . 2 A H5'' . 16920 1 16 . 1 1 2 2 A H8 H 1 7.850 0.003 . 1 . . . . 2 A H8 . 16920 1 17 . 1 1 3 3 G H1' H 1 5.270 0.002 . 1 . . . . 3 G H1' . 16920 1 18 . 1 1 3 3 G H2' H 1 4.333 0.005 . 1 . . . . 3 G H2' . 16920 1 19 . 1 1 3 3 G H3' H 1 4.777 0.003 . 1 . . . . 3 G H3' . 16920 1 20 . 1 1 3 3 G H4' H 1 3.862 0.001 . 1 . . . . 3 G H4' . 16920 1 21 . 1 1 3 3 G H5' H 1 4.143 0.003 . 2 . . . . 3 G H5' . 16920 1 22 . 1 1 3 3 G H5'' H 1 3.987 0.023 . 2 . . . . 3 G H5'' . 16920 1 23 . 1 1 3 3 G H8 H 1 7.991 0.002 . 1 . . . . 3 G H8 . 16920 1 24 . 1 1 4 4 A H1' H 1 6.121 0.003 . 1 . . . . 4 A H1' . 16920 1 25 . 1 1 4 4 A H2 H 1 8.563 0.002 . 1 . . . . 4 A H2 . 16920 1 26 . 1 1 4 4 A H2' H 1 5.907 0.003 . 1 . . . . 4 A H2' . 16920 1 27 . 1 1 4 4 A H3' H 1 5.364 0.003 . 1 . . . . 4 A H3' . 16920 1 28 . 1 1 4 4 A H4' H 1 4.517 0.003 . 1 . . . . 4 A H4' . 16920 1 29 . 1 1 4 4 A H5' H 1 4.942 0.003 . 2 . . . . 4 A H5' . 16920 1 30 . 1 1 4 4 A H5'' H 1 4.660 0.004 . 2 . . . . 4 A H5'' . 16920 1 31 . 1 1 4 4 A H8 H 1 8.890 0.009 . 1 . . . . 4 A H8 . 16920 1 32 . 1 1 5 5 A H1' H 1 6.186 0.002 . 1 . . . . 5 A H1' . 16920 1 33 . 1 1 5 5 A H2 H 1 8.236 0.002 . 1 . . . . 5 A H2 . 16920 1 34 . 1 1 5 5 A H2' H 1 4.546 0.014 . 1 . . . . 5 A H2' . 16920 1 35 . 1 1 5 5 A H3' H 1 4.863 0.003 . 1 . . . . 5 A H3' . 16920 1 36 . 1 1 5 5 A H4' H 1 4.767 0.002 . 1 . . . . 5 A H4' . 16920 1 37 . 1 1 5 5 A H8 H 1 8.607 0.008 . 1 . . . . 5 A H8 . 16920 1 38 . 1 1 6 6 C H1' H 1 6.006 0.003 . 1 . . . . 6 C H1' . 16920 1 39 . 1 1 6 6 C H2' H 1 4.348 0.002 . 1 . . . . 6 C H2' . 16920 1 40 . 1 1 6 6 C H3' H 1 4.421 0.005 . 1 . . . . 6 C H3' . 16920 1 41 . 1 1 6 6 C H5 H 1 6.184 0.004 . 1 . . . . 6 C H5 . 16920 1 42 . 1 1 6 6 C H5' H 1 4.264 0.004 . 2 . . . . 6 C H5' . 16920 1 43 . 1 1 6 6 C H5'' H 1 4.264 0.003 . 2 . . . . 6 C H5'' . 16920 1 44 . 1 1 6 6 C H6 H 1 7.990 0.003 . 1 . . . . 6 C H6 . 16920 1 45 . 2 2 5 5 ASN H H 1 8.370 0.016 . 1 . . . . 110 N HN . 16920 1 46 . 2 2 5 5 ASN HA H 1 4.726 0.030 . 1 . . . . 110 N HA . 16920 1 47 . 2 2 5 5 ASN HB2 H 1 2.845 0.013 . 2 . . . . 110 N HB2 . 16920 1 48 . 2 2 5 5 ASN HB3 H 1 2.948 0.008 . 2 . . . . 110 N HB3 . 16920 1 49 . 2 2 5 5 ASN HD21 H 1 7.619 0.000 . 2 . . . . 110 N HD21 . 16920 1 50 . 2 2 5 5 ASN HD22 H 1 6.975 0.000 . 2 . . . . 110 N HD22 . 16920 1 51 . 2 2 5 5 ASN CA C 13 52.787 0.045 . 1 . . . . 110 N CA . 16920 1 52 . 2 2 5 5 ASN CB C 13 38.797 0.002 . 1 . . . . 110 N CB . 16920 1 53 . 2 2 5 5 ASN N N 15 119.060 0.002 . 1 . . . . 110 N N . 16920 1 54 . 2 2 5 5 ASN ND2 N 15 112.200 0.000 . 1 . . . . 110 N ND . 16920 1 55 . 2 2 6 6 ARG H H 1 8.357 0.002 . 1 . . . . 111 R HN . 16920 1 56 . 2 2 6 6 ARG HA H 1 4.133 0.004 . 1 . . . . 111 R HA . 16920 1 57 . 2 2 6 6 ARG HB2 H 1 1.796 0.008 . 2 . . . . 111 R HB2 . 16920 1 58 . 2 2 6 6 ARG HB3 H 1 1.919 0.007 . 2 . . . . 111 R HB3 . 16920 1 59 . 2 2 6 6 ARG HD2 H 1 3.123 0.000 . 2 . . . . 111 R HD2 . 16920 1 60 . 2 2 6 6 ARG HD3 H 1 3.234 0.003 . 2 . . . . 111 R HD3 . 16920 1 61 . 2 2 6 6 ARG HG2 H 1 1.429 0.000 . 2 . . . . 111 R HG2 . 16920 1 62 . 2 2 6 6 ARG HG3 H 1 1.633 0.000 . 2 . . . . 111 R HG3 . 16920 1 63 . 2 2 6 6 ARG CA C 13 57.320 0.000 . 1 . . . . 111 R CA . 16920 1 64 . 2 2 6 6 ARG CB C 13 30.760 0.071 . 1 . . . . 111 R CB . 16920 1 65 . 2 2 6 6 ARG N N 15 120.812 0.001 . 1 . . . . 111 R N . 16920 1 66 . 2 2 7 7 ALA H H 1 8.037 0.005 . 1 . . . . 112 A HN . 16920 1 67 . 2 2 7 7 ALA HA H 1 4.375 0.004 . 1 . . . . 112 A HA . 16920 1 68 . 2 2 7 7 ALA HB1 H 1 1.469 0.010 . 2 . . . . 112 A QB . 16920 1 69 . 2 2 7 7 ALA HB2 H 1 1.469 0.010 . 2 . . . . 112 A QB . 16920 1 70 . 2 2 7 7 ALA HB3 H 1 1.469 0.010 . 2 . . . . 112 A QB . 16920 1 71 . 2 2 7 7 ALA CA C 13 53.031 0.001 . 1 . . . . 112 A CA . 16920 1 72 . 2 2 7 7 ALA CB C 13 19.222 0.044 . 1 . . . . 112 A CB . 16920 1 73 . 2 2 7 7 ALA N N 15 122.060 0.017 . 1 . . . . 112 A N . 16920 1 74 . 2 2 8 8 ASN H H 1 8.155 0.004 . 1 . . . . 113 N HN . 16920 1 75 . 2 2 8 8 ASN HA H 1 5.069 0.005 . 1 . . . . 113 N HA . 16920 1 76 . 2 2 8 8 ASN HB2 H 1 2.737 0.006 . 2 . . . . 113 N HB2 . 16920 1 77 . 2 2 8 8 ASN HB3 H 1 2.913 0.003 . 2 . . . . 113 N HB3 . 16920 1 78 . 2 2 8 8 ASN HD21 H 1 7.613 0.000 . 2 . . . . 113 N HD21 . 16920 1 79 . 2 2 8 8 ASN HD22 H 1 6.896 0.000 . 2 . . . . 113 N HD22 . 16920 1 80 . 2 2 8 8 ASN CA C 13 51.887 0.019 . 1 . . . . 113 N CA . 16920 1 81 . 2 2 8 8 ASN CB C 13 38.960 0.014 . 1 . . . . 113 N CB . 16920 1 82 . 2 2 8 8 ASN N N 15 115.928 0.049 . 1 . . . . 113 N N . 16920 1 83 . 2 2 8 8 ASN ND2 N 15 112.639 0.059 . 1 . . . . 113 N ND2 . 16920 1 84 . 2 2 9 9 PRO HD2 H 1 3.780 0.005 . 2 . . . . 114 P HD2 . 16920 1 85 . 2 2 9 9 PRO HD3 H 1 3.924 0.003 . 2 . . . . 114 P HD3 . 16920 1 86 . 2 2 9 9 PRO HG2 H 1 2.282 0.007 . 2 . . . . 114 P HG . 16920 1 87 . 2 2 9 9 PRO HG3 H 1 2.282 0.007 . 2 . . . . 114 P HG . 16920 1 88 . 2 2 9 9 PRO CD C 13 50.493 0.084 . 1 . . . . 114 P CD . 16920 1 89 . 2 2 9 9 PRO CG C 13 28.007 0.000 . 1 . . . . 114 P CG . 16920 1 90 . 2 2 10 10 ASP H H 1 8.259 0.002 . 1 . . . . 115 D HN . 16920 1 91 . 2 2 10 10 ASP HB2 H 1 2.474 0.000 . 2 . . . . 115 D HB2 . 16920 1 92 . 2 2 10 10 ASP HB3 H 1 2.677 0.000 . 2 . . . . 115 D HB3 . 16920 1 93 . 2 2 10 10 ASP CB C 13 40.633 0.051 . 1 . . . . 115 D CB . 16920 1 94 . 2 2 11 11 PRO HB2 H 1 1.518 0.009 . 2 . . . . 116 P QB . 16920 1 95 . 2 2 11 11 PRO HB3 H 1 1.518 0.009 . 2 . . . . 116 P QB . 16920 1 96 . 2 2 11 11 PRO HD2 H 1 3.567 0.004 . 2 . . . . 116 P HD2 . 16920 1 97 . 2 2 11 11 PRO HD3 H 1 3.906 0.004 . 2 . . . . 116 P HD3 . 16920 1 98 . 2 2 11 11 PRO HG2 H 1 2.024 0.000 . 2 . . . . 116 P HG . 16920 1 99 . 2 2 11 11 PRO HG3 H 1 2.024 0.000 . 2 . . . . 116 P HG . 16920 1 100 . 2 2 11 11 PRO CB C 13 32.018 0.000 . 1 . . . . 116 P CB . 16920 1 101 . 2 2 11 11 PRO CD C 13 50.303 0.036 . 1 . . . . 116 P CD . 16920 1 102 . 2 2 11 11 PRO CG C 13 27.688 0.233 . 1 . . . . 116 P CG . 16920 1 103 . 2 2 12 12 ASN H H 1 8.245 0.003 . 1 . . . . 117 N HN . 16920 1 104 . 2 2 12 12 ASN HA H 1 4.742 0.000 . 1 . . . . 117 N HA . 16920 1 105 . 2 2 12 12 ASN HB2 H 1 2.477 0.001 . 2 . . . . 117 N HB2 . 16920 1 106 . 2 2 12 12 ASN HB3 H 1 2.681 0.001 . 2 . . . . 117 N HB3 . 16920 1 107 . 2 2 12 12 ASN CB C 13 40.611 0.017 . 1 . . . . 117 N CB . 16920 1 108 . 2 2 12 12 ASN N N 15 121.588 0.051 . 1 . . . . 117 N N . 16920 1 109 . 2 2 13 13 CYS HA H 1 4.252 0.015 . 1 . . . . 118 C HA . 16920 1 110 . 2 2 13 13 CYS HB2 H 1 3.288 0.000 . 2 . . . . 118 C HB2 . 16920 1 111 . 2 2 13 13 CYS HB3 H 1 3.423 0.000 . 2 . . . . 118 C HB3 . 16920 1 112 . 2 2 13 13 CYS CA C 13 61.585 0.015 . 1 . . . . 118 C CA . 16920 1 113 . 2 2 13 13 CYS CB C 13 27.839 0.025 . 1 . . . . 118 C CB . 16920 1 114 . 2 2 14 14 CYS H H 1 8.265 0.001 . 1 . . . . 119 C HN . 16920 1 115 . 2 2 14 14 CYS HA H 1 5.094 0.003 . 1 . . . . 119 C HA . 16920 1 116 . 2 2 14 14 CYS HB2 H 1 2.536 0.014 . 2 . . . . 119 C HB2 . 16920 1 117 . 2 2 14 14 CYS HB3 H 1 3.010 0.009 . 2 . . . . 119 C HB3 . 16920 1 118 . 2 2 14 14 CYS CA C 13 57.150 0.000 . 1 . . . . 119 C CA . 16920 1 119 . 2 2 14 14 CYS CB C 13 29.466 0.029 . 1 . . . . 119 C CB . 16920 1 120 . 2 2 14 14 CYS N N 15 120.941 0.038 . 1 . . . . 119 C N . 16920 1 121 . 2 2 15 15 LEU H H 1 9.359 0.003 . 1 . . . . 120 L HN . 16920 1 122 . 2 2 15 15 LEU HA H 1 4.997 0.010 . 1 . . . . 120 L HA . 16920 1 123 . 2 2 15 15 LEU HB2 H 1 1.209 0.007 . 2 . . . . 120 L HB2 . 16920 1 124 . 2 2 15 15 LEU HB3 H 1 1.427 0.008 . 2 . . . . 120 L HB3 . 16920 1 125 . 2 2 15 15 LEU HD11 H 1 0.702 0.007 . 2 . . . . 120 L QD1 . 16920 1 126 . 2 2 15 15 LEU HD12 H 1 0.702 0.007 . 2 . . . . 120 L QD1 . 16920 1 127 . 2 2 15 15 LEU HD13 H 1 0.702 0.007 . 2 . . . . 120 L QD1 . 16920 1 128 . 2 2 15 15 LEU HD21 H 1 0.808 0.008 . 2 . . . . 120 L QD2 . 16920 1 129 . 2 2 15 15 LEU HD22 H 1 0.808 0.008 . 2 . . . . 120 L QD2 . 16920 1 130 . 2 2 15 15 LEU HD23 H 1 0.808 0.008 . 2 . . . . 120 L QD2 . 16920 1 131 . 2 2 15 15 LEU HG H 1 1.796 0.007 . 1 . . . . 120 L HG . 16920 1 132 . 2 2 15 15 LEU CA C 13 52.908 0.010 . 1 . . . . 120 L CA . 16920 1 133 . 2 2 15 15 LEU CB C 13 43.362 0.029 . 1 . . . . 120 L CB . 16920 1 134 . 2 2 15 15 LEU CD1 C 13 24.237 0.023 . 2 . . . . 120 L CD1 . 16920 1 135 . 2 2 15 15 LEU CD2 C 13 26.656 0.014 . 2 . . . . 120 L CD2 . 16920 1 136 . 2 2 15 15 LEU CG C 13 26.761 0.021 . 1 . . . . 120 L CG . 16920 1 137 . 2 2 15 15 LEU N N 15 128.461 0.025 . 1 . . . . 120 L N . 16920 1 138 . 2 2 16 16 GLY H H 1 9.075 0.004 . 1 . . . . 121 G HN . 16920 1 139 . 2 2 16 16 GLY HA2 H 1 3.792 0.003 . 2 . . . . 121 G QA . 16920 1 140 . 2 2 16 16 GLY HA3 H 1 3.792 0.003 . 2 . . . . 121 G QA . 16920 1 141 . 2 2 16 16 GLY CA C 13 44.951 0.001 . 1 . . . . 121 G CA . 16920 1 142 . 2 2 16 16 GLY N N 15 109.324 0.006 . 1 . . . . 121 G N . 16920 1 143 . 2 2 17 17 VAL H H 1 7.886 0.006 . 1 . . . . 122 V HN . 16920 1 144 . 2 2 17 17 VAL HA H 1 4.199 0.008 . 1 . . . . 122 V HA . 16920 1 145 . 2 2 17 17 VAL HB H 1 1.368 0.008 . 1 . . . . 122 V HB . 16920 1 146 . 2 2 17 17 VAL HG11 H 1 0.777 0.004 . 2 . . . . 122 V QG1 . 16920 1 147 . 2 2 17 17 VAL HG12 H 1 0.777 0.004 . 2 . . . . 122 V QG1 . 16920 1 148 . 2 2 17 17 VAL HG13 H 1 0.777 0.004 . 2 . . . . 122 V QG1 . 16920 1 149 . 2 2 17 17 VAL HG21 H 1 0.348 0.003 . 2 . . . . 122 V QG2 . 16920 1 150 . 2 2 17 17 VAL HG22 H 1 0.348 0.003 . 2 . . . . 122 V QG2 . 16920 1 151 . 2 2 17 17 VAL HG23 H 1 0.348 0.003 . 2 . . . . 122 V QG2 . 16920 1 152 . 2 2 17 17 VAL CA C 13 60.610 0.000 . 1 . . . . 122 V CA . 16920 1 153 . 2 2 17 17 VAL CB C 13 32.704 0.016 . 1 . . . . 122 V CB . 16920 1 154 . 2 2 17 17 VAL CG1 C 13 23.743 0.029 . 2 . . . . 122 V CG1 . 16920 1 155 . 2 2 17 17 VAL CG2 C 13 20.831 0.014 . 2 . . . . 122 V CG2 . 16920 1 156 . 2 2 17 17 VAL N N 15 124.058 0.007 . 1 . . . . 122 V N . 16920 1 157 . 2 2 18 18 PHE H H 1 9.214 0.005 . 1 . . . . 123 F HN . 16920 1 158 . 2 2 18 18 PHE HA H 1 4.622 0.017 . 1 . . . . 123 F HA . 16920 1 159 . 2 2 18 18 PHE HB2 H 1 2.420 0.022 . 2 . . . . 123 F QB . 16920 1 160 . 2 2 18 18 PHE HB3 H 1 2.420 0.022 . 2 . . . . 123 F QB . 16920 1 161 . 2 2 18 18 PHE HD1 H 1 6.213 0.013 . 3 . . . . 123 F QD . 16920 1 162 . 2 2 18 18 PHE HD2 H 1 6.213 0.013 . 3 . . . . 123 F QD . 16920 1 163 . 2 2 18 18 PHE HE1 H 1 6.060 0.009 . 3 . . . . 123 F QE . 16920 1 164 . 2 2 18 18 PHE HE2 H 1 6.060 0.009 . 3 . . . . 123 F QE . 16920 1 165 . 2 2 18 18 PHE HZ H 1 5.115 0.009 . 1 . . . . 123 F HZ . 16920 1 166 . 2 2 18 18 PHE CA C 13 55.700 0.000 . 1 . . . . 123 F CA . 16920 1 167 . 2 2 18 18 PHE CB C 13 41.748 0.000 . 1 . . . . 123 F CB . 16920 1 168 . 2 2 18 18 PHE CD1 C 13 131.300 0.024 . 3 . . . . 123 F CD1 . 16920 1 169 . 2 2 18 18 PHE CE1 C 13 128.874 0.000 . 3 . . . . 123 F CE1 . 16920 1 170 . 2 2 18 18 PHE N N 15 122.940 0.014 . 1 . . . . 123 F N . 16920 1 171 . 2 2 19 19 GLY H H 1 9.610 0.026 . 1 . . . . 124 G HN . 16920 1 172 . 2 2 19 19 GLY HA2 H 1 3.925 0.005 . 2 . . . . 124 G HA2 . 16920 1 173 . 2 2 19 19 GLY HA3 H 1 4.167 0.009 . 2 . . . . 124 G HA3 . 16920 1 174 . 2 2 19 19 GLY CA C 13 45.490 0.031 . 1 . . . . 124 G CA . 16920 1 175 . 2 2 19 19 GLY N N 15 108.667 0.014 . 1 . . . . 124 G N . 16920 1 176 . 2 2 20 20 LEU H H 1 7.690 0.011 . 1 . . . . 125 L HN . 16920 1 177 . 2 2 20 20 LEU HA H 1 4.216 0.006 . 1 . . . . 125 L HA . 16920 1 178 . 2 2 20 20 LEU HB2 H 1 1.179 0.009 . 2 . . . . 125 L HB2 . 16920 1 179 . 2 2 20 20 LEU HB3 H 1 1.419 0.011 . 2 . . . . 125 L HB3 . 16920 1 180 . 2 2 20 20 LEU HD11 H 1 0.406 0.002 . 2 . . . . 125 L QD1 . 16920 1 181 . 2 2 20 20 LEU HD12 H 1 0.406 0.002 . 2 . . . . 125 L QD1 . 16920 1 182 . 2 2 20 20 LEU HD13 H 1 0.406 0.002 . 2 . . . . 125 L QD1 . 16920 1 183 . 2 2 20 20 LEU HD21 H 1 0.780 0.003 . 2 . . . . 125 L QD2 . 16920 1 184 . 2 2 20 20 LEU HD22 H 1 0.780 0.003 . 2 . . . . 125 L QD2 . 16920 1 185 . 2 2 20 20 LEU HD23 H 1 0.780 0.003 . 2 . . . . 125 L QD2 . 16920 1 186 . 2 2 20 20 LEU HG H 1 1.317 0.016 . 1 . . . . 125 L HG . 16920 1 187 . 2 2 20 20 LEU CA C 13 54.124 0.000 . 1 . . . . 125 L CA . 16920 1 188 . 2 2 20 20 LEU CB C 13 43.534 0.019 . 1 . . . . 125 L CB . 16920 1 189 . 2 2 20 20 LEU CD1 C 13 26.338 0.024 . 2 . . . . 125 L CD1 . 16920 1 190 . 2 2 20 20 LEU CD2 C 13 23.836 0.000 . 2 . . . . 125 L CD2 . 16920 1 191 . 2 2 20 20 LEU CG C 13 26.888 0.000 . 1 . . . . 125 L CG . 16920 1 192 . 2 2 20 20 LEU N N 15 115.666 0.029 . 1 . . . . 125 L N . 16920 1 193 . 2 2 21 21 SER H H 1 9.269 0.018 . 1 . . . . 126 S HN . 16920 1 194 . 2 2 21 21 SER HA H 1 4.408 0.007 . 1 . . . . 126 S HA . 16920 1 195 . 2 2 21 21 SER HB2 H 1 4.228 0.007 . 2 . . . . 126 S QB . 16920 1 196 . 2 2 21 21 SER HB3 H 1 4.228 0.007 . 2 . . . . 126 S QB . 16920 1 197 . 2 2 21 21 SER CA C 13 57.561 0.031 . 1 . . . . 126 S CA . 16920 1 198 . 2 2 21 21 SER CB C 13 63.721 0.006 . 1 . . . . 126 S CB . 16920 1 199 . 2 2 21 21 SER N N 15 114.679 0.007 . 1 . . . . 126 S N . 16920 1 200 . 2 2 22 22 LEU H H 1 8.893 0.007 . 1 . . . . 127 L HN . 16920 1 201 . 2 2 22 22 LEU HA H 1 3.961 0.021 . 1 . . . . 127 L HA . 16920 1 202 . 2 2 22 22 LEU HB2 H 1 1.381 0.001 . 2 . . . . 127 L QB . 16920 1 203 . 2 2 22 22 LEU HB3 H 1 1.381 0.001 . 2 . . . . 127 L QB . 16920 1 204 . 2 2 22 22 LEU HD11 H 1 0.737 0.003 . 2 . . . . 127 L QD1 . 16920 1 205 . 2 2 22 22 LEU HD12 H 1 0.737 0.003 . 2 . . . . 127 L QD1 . 16920 1 206 . 2 2 22 22 LEU HD13 H 1 0.737 0.003 . 2 . . . . 127 L QD1 . 16920 1 207 . 2 2 22 22 LEU HD21 H 1 0.918 0.020 . 2 . . . . 127 L QD2 . 16920 1 208 . 2 2 22 22 LEU HD22 H 1 0.918 0.020 . 2 . . . . 127 L QD2 . 16920 1 209 . 2 2 22 22 LEU HD23 H 1 0.918 0.020 . 2 . . . . 127 L QD2 . 16920 1 210 . 2 2 22 22 LEU HG H 1 1.699 0.030 . 1 . . . . 127 L HG . 16920 1 211 . 2 2 22 22 LEU CA C 13 56.830 0.000 . 1 . . . . 127 L CA . 16920 1 212 . 2 2 22 22 LEU CB C 13 40.158 0.010 . 1 . . . . 127 L CB . 16920 1 213 . 2 2 22 22 LEU CD1 C 13 21.849 0.023 . 2 . . . . 127 L CD1 . 16920 1 214 . 2 2 22 22 LEU CD2 C 13 24.835 0.033 . 2 . . . . 127 L CD2 . 16920 1 215 . 2 2 22 22 LEU CG C 13 26.855 0.033 . 1 . . . . 127 L CG . 16920 1 216 . 2 2 22 22 LEU N N 15 125.379 0.006 . 1 . . . . 127 L N . 16920 1 217 . 2 2 23 23 TYR H H 1 7.857 0.003 . 1 . . . . 128 Y HN . 16920 1 218 . 2 2 23 23 TYR HA H 1 4.627 0.002 . 1 . . . . 128 Y HA . 16920 1 219 . 2 2 23 23 TYR HB2 H 1 2.804 0.008 . 2 . . . . 128 Y HB2 . 16920 1 220 . 2 2 23 23 TYR HB3 H 1 3.353 0.007 . 2 . . . . 128 Y HB3 . 16920 1 221 . 2 2 23 23 TYR HD1 H 1 7.194 0.018 . 3 . . . . 128 Y QD . 16920 1 222 . 2 2 23 23 TYR HD2 H 1 7.194 0.018 . 3 . . . . 128 Y QD . 16920 1 223 . 2 2 23 23 TYR HE1 H 1 6.928 0.000 . 3 . . . . 128 Y QE . 16920 1 224 . 2 2 23 23 TYR HE2 H 1 6.928 0.000 . 3 . . . . 128 Y QE . 16920 1 225 . 2 2 23 23 TYR CA C 13 57.413 0.027 . 1 . . . . 128 Y CA . 16920 1 226 . 2 2 23 23 TYR CB C 13 38.506 0.013 . 1 . . . . 128 Y CB . 16920 1 227 . 2 2 23 23 TYR CD1 C 13 133.077 0.016 . 3 . . . . 128 Y CD1 . 16920 1 228 . 2 2 23 23 TYR CE1 C 13 118.235 0.019 . 3 . . . . 128 Y CE1 . 16920 1 229 . 2 2 23 23 TYR N N 15 114.939 0.005 . 1 . . . . 128 Y N . 16920 1 230 . 2 2 24 24 THR H H 1 7.135 0.003 . 1 . . . . 129 T HN . 16920 1 231 . 2 2 24 24 THR HA H 1 4.388 0.006 . 1 . . . . 129 T HA . 16920 1 232 . 2 2 24 24 THR HB H 1 3.906 0.002 . 1 . . . . 129 T HB . 16920 1 233 . 2 2 24 24 THR HG21 H 1 1.355 0.002 . 2 . . . . 129 T QG2 . 16920 1 234 . 2 2 24 24 THR HG22 H 1 1.355 0.002 . 2 . . . . 129 T QG2 . 16920 1 235 . 2 2 24 24 THR HG23 H 1 1.355 0.002 . 2 . . . . 129 T QG2 . 16920 1 236 . 2 2 24 24 THR CA C 13 64.706 0.000 . 1 . . . . 129 T CA . 16920 1 237 . 2 2 24 24 THR CB C 13 69.339 0.017 . 1 . . . . 129 T CB . 16920 1 238 . 2 2 24 24 THR CG2 C 13 23.289 0.014 . 1 . . . . 129 T CG2 . 16920 1 239 . 2 2 24 24 THR N N 15 119.310 0.002 . 1 . . . . 129 T N . 16920 1 240 . 2 2 25 25 THR H H 1 9.236 0.018 . 1 . . . . 130 T HN . 16920 1 241 . 2 2 25 25 THR HA H 1 4.723 0.031 . 1 . . . . 130 T HA . 16920 1 242 . 2 2 25 25 THR HB H 1 4.383 0.006 . 1 . . . . 130 T HB . 16920 1 243 . 2 2 25 25 THR HG21 H 1 1.470 0.004 . 2 . . . . 130 T QG2 . 16920 1 244 . 2 2 25 25 THR HG22 H 1 1.470 0.004 . 2 . . . . 130 T QG2 . 16920 1 245 . 2 2 25 25 THR HG23 H 1 1.470 0.004 . 2 . . . . 130 T QG2 . 16920 1 246 . 2 2 25 25 THR CA C 13 60.617 0.000 . 1 . . . . 130 T CA . 16920 1 247 . 2 2 25 25 THR CB C 13 68.720 0.006 . 1 . . . . 130 T CB . 16920 1 248 . 2 2 25 25 THR CG2 C 13 21.747 0.036 . 1 . . . . 130 T CG2 . 16920 1 249 . 2 2 25 25 THR N N 15 119.668 0.006 . 1 . . . . 130 T N . 16920 1 250 . 2 2 26 26 GLU H H 1 9.618 0.011 . 1 . . . . 131 E HN . 16920 1 251 . 2 2 26 26 GLU HA H 1 3.740 0.003 . 1 . . . . 131 E HA . 16920 1 252 . 2 2 26 26 GLU HB2 H 1 2.291 0.007 . 2 . . . . 131 E HB2 . 16920 1 253 . 2 2 26 26 GLU HB3 H 1 2.015 0.004 . 2 . . . . 131 E HB3 . 16920 1 254 . 2 2 26 26 GLU HG2 H 1 2.584 0.002 . 2 . . . . 131 E HG2 . 16920 1 255 . 2 2 26 26 GLU HG3 H 1 2.329 0.003 . 2 . . . . 131 E HG3 . 16920 1 256 . 2 2 26 26 GLU CA C 13 61.147 0.029 . 1 . . . . 131 E CA . 16920 1 257 . 2 2 26 26 GLU CB C 13 28.635 0.030 . 1 . . . . 131 E CB . 16920 1 258 . 2 2 26 26 GLU CG C 13 37.312 0.019 . 1 . . . . 131 E CG . 16920 1 259 . 2 2 26 26 GLU N N 15 121.153 0.002 . 1 . . . . 131 E N . 16920 1 260 . 2 2 27 27 ARG H H 1 8.177 0.001 . 1 . . . . 132 R HN . 16920 1 261 . 2 2 27 27 ARG HA H 1 4.039 0.004 . 1 . . . . 132 R HA . 16920 1 262 . 2 2 27 27 ARG HB2 H 1 1.819 0.002 . 2 . . . . 132 R HB2 . 16920 1 263 . 2 2 27 27 ARG HB3 H 1 2.003 0.018 . 2 . . . . 132 R HB3 . 16920 1 264 . 2 2 27 27 ARG HD2 H 1 3.167 0.009 . 2 . . . . 132 R HD2 . 16920 1 265 . 2 2 27 27 ARG HD3 H 1 3.212 0.016 . 2 . . . . 132 R HD3 . 16920 1 266 . 2 2 27 27 ARG HG2 H 1 1.703 0.008 . 2 . . . . 132 R QG . 16920 1 267 . 2 2 27 27 ARG HG3 H 1 1.703 0.008 . 2 . . . . 132 R QG . 16920 1 268 . 2 2 27 27 ARG CA C 13 59.534 0.000 . 1 . . . . 132 R CA . 16920 1 269 . 2 2 27 27 ARG CB C 13 29.950 0.000 . 1 . . . . 132 R CB . 16920 1 270 . 2 2 27 27 ARG CD C 13 42.591 0.013 . 1 . . . . 132 R CD . 16920 1 271 . 2 2 27 27 ARG CG C 13 26.627 0.000 . 1 . . . . 132 R CG . 16920 1 272 . 2 2 27 27 ARG N N 15 119.257 0.062 . 1 . . . . 132 R N . 16920 1 273 . 2 2 28 28 ASP H H 1 7.498 0.003 . 1 . . . . 133 D HN . 16920 1 274 . 2 2 28 28 ASP HA H 1 4.441 0.005 . 1 . . . . 133 D HA . 16920 1 275 . 2 2 28 28 ASP HB2 H 1 2.734 0.001 . 2 . . . . 133 D HB2 . 16920 1 276 . 2 2 28 28 ASP HB3 H 1 3.164 0.003 . 2 . . . . 133 D HB3 . 16920 1 277 . 2 2 28 28 ASP CA C 13 57.408 0.041 . 1 . . . . 133 D CA . 16920 1 278 . 2 2 28 28 ASP CB C 13 41.235 0.023 . 1 . . . . 133 D CB . 16920 1 279 . 2 2 28 28 ASP N N 15 119.367 0.003 . 1 . . . . 133 D N . 16920 1 280 . 2 2 29 29 LEU H H 1 7.695 0.009 . 1 . . . . 134 L HN . 16920 1 281 . 2 2 29 29 LEU HA H 1 4.153 0.003 . 1 . . . . 134 L HA . 16920 1 282 . 2 2 29 29 LEU HB2 H 1 1.271 0.007 . 2 . . . . 134 L HB2 . 16920 1 283 . 2 2 29 29 LEU HB3 H 1 1.995 0.004 . 2 . . . . 134 L HB3 . 16920 1 284 . 2 2 29 29 LEU HD11 H 1 0.516 0.003 . 2 . . . . 134 L QD1 . 16920 1 285 . 2 2 29 29 LEU HD12 H 1 0.516 0.003 . 2 . . . . 134 L QD1 . 16920 1 286 . 2 2 29 29 LEU HD13 H 1 0.516 0.003 . 2 . . . . 134 L QD1 . 16920 1 287 . 2 2 29 29 LEU HD21 H 1 0.740 0.007 . 2 . . . . 134 L QD2 . 16920 1 288 . 2 2 29 29 LEU HD22 H 1 0.740 0.007 . 2 . . . . 134 L QD2 . 16920 1 289 . 2 2 29 29 LEU HD23 H 1 0.740 0.007 . 2 . . . . 134 L QD2 . 16920 1 290 . 2 2 29 29 LEU HG H 1 1.684 0.011 . 1 . . . . 134 L HG . 16920 1 291 . 2 2 29 29 LEU CA C 13 57.550 0.035 . 1 . . . . 134 L CA . 16920 1 292 . 2 2 29 29 LEU CB C 13 42.688 0.032 . 1 . . . . 134 L CB . 16920 1 293 . 2 2 29 29 LEU CD1 C 13 26.303 0.038 . 2 . . . . 134 L CD1 . 16920 1 294 . 2 2 29 29 LEU CD2 C 13 23.544 0.025 . 2 . . . . 134 L CD2 . 16920 1 295 . 2 2 29 29 LEU CG C 13 26.755 0.033 . 1 . . . . 134 L CG . 16920 1 296 . 2 2 29 29 LEU N N 15 117.157 0.003 . 1 . . . . 134 L N . 16920 1 297 . 2 2 30 30 ARG H H 1 8.739 0.003 . 1 . . . . 135 R HN . 16920 1 298 . 2 2 30 30 ARG HA H 1 3.827 0.004 . 1 . . . . 135 R HA . 16920 1 299 . 2 2 30 30 ARG HB2 H 1 2.012 0.012 . 2 . . . . 135 R QB . 16920 1 300 . 2 2 30 30 ARG HB3 H 1 2.012 0.012 . 2 . . . . 135 R QB . 16920 1 301 . 2 2 30 30 ARG HD2 H 1 3.201 0.000 . 2 . . . . 135 R HD2 . 16920 1 302 . 2 2 30 30 ARG HD3 H 1 3.364 0.000 . 2 . . . . 135 R HD3 . 16920 1 303 . 2 2 30 30 ARG HE H 1 7.873 0.000 . 1 . . . . 135 R HE . 16920 1 304 . 2 2 30 30 ARG HG2 H 1 1.582 0.001 . 2 . . . . 135 R HG2 . 16920 1 305 . 2 2 30 30 ARG HG3 H 1 1.644 0.014 . 2 . . . . 135 R HG3 . 16920 1 306 . 2 2 30 30 ARG CA C 13 60.610 0.000 . 1 . . . . 135 R CA . 16920 1 307 . 2 2 30 30 ARG CB C 13 30.170 0.000 . 1 . . . . 135 R CB . 16920 1 308 . 2 2 30 30 ARG CD C 13 43.123 0.085 . 1 . . . . 135 R CD . 16920 1 309 . 2 2 30 30 ARG CG C 13 29.412 0.057 . 1 . . . . 135 R CG . 16920 1 310 . 2 2 30 30 ARG N N 15 119.830 0.025 . 1 . . . . 135 R N . 16920 1 311 . 2 2 30 30 ARG NE N 15 118.267 0.000 . 1 . . . . 135 R NE . 16920 1 312 . 2 2 31 31 GLU H H 1 8.194 0.002 . 1 . . . . 136 E HN . 16920 1 313 . 2 2 31 31 GLU HA H 1 4.041 0.000 . 1 . . . . 136 E HA . 16920 1 314 . 2 2 31 31 GLU HB2 H 1 2.216 0.009 . 2 . . . . 136 E HB2 . 16920 1 315 . 2 2 31 31 GLU HB3 H 1 2.267 0.017 . 2 . . . . 136 E HB3 . 16920 1 316 . 2 2 31 31 GLU HG2 H 1 2.347 0.021 . 2 . . . . 136 E HG2 . 16920 1 317 . 2 2 31 31 GLU HG3 H 1 2.418 0.012 . 2 . . . . 136 E HG3 . 16920 1 318 . 2 2 31 31 GLU CA C 13 59.650 0.000 . 1 . . . . 136 E CA . 16920 1 319 . 2 2 31 31 GLU CB C 13 29.510 0.000 . 1 . . . . 136 E CB . 16920 1 320 . 2 2 31 31 GLU CG C 13 36.250 0.000 . 1 . . . . 136 E CG . 16920 1 321 . 2 2 31 31 GLU N N 15 119.300 0.000 . 1 . . . . 136 E N . 16920 1 322 . 2 2 32 32 VAL H H 1 7.617 0.014 . 1 . . . . 137 V HN . 16920 1 323 . 2 2 32 32 VAL HA H 1 3.830 0.002 . 1 . . . . 137 V HA . 16920 1 324 . 2 2 32 32 VAL HB H 1 2.048 0.006 . 1 . . . . 137 V HB . 16920 1 325 . 2 2 32 32 VAL HG11 H 1 0.563 0.002 . 2 . . . . 137 V QG1 . 16920 1 326 . 2 2 32 32 VAL HG12 H 1 0.563 0.002 . 2 . . . . 137 V QG1 . 16920 1 327 . 2 2 32 32 VAL HG13 H 1 0.563 0.002 . 2 . . . . 137 V QG1 . 16920 1 328 . 2 2 32 32 VAL HG21 H 1 1.114 0.002 . 2 . . . . 137 V QG2 . 16920 1 329 . 2 2 32 32 VAL HG22 H 1 1.114 0.002 . 2 . . . . 137 V QG2 . 16920 1 330 . 2 2 32 32 VAL HG23 H 1 1.114 0.002 . 2 . . . . 137 V QG2 . 16920 1 331 . 2 2 32 32 VAL CA C 13 65.575 0.035 . 1 . . . . 137 V CA . 16920 1 332 . 2 2 32 32 VAL CB C 13 32.635 0.038 . 1 . . . . 137 V CB . 16920 1 333 . 2 2 32 32 VAL CG1 C 13 20.940 0.012 . 2 . . . . 137 V CG1 . 16920 1 334 . 2 2 32 32 VAL CG2 C 13 22.415 0.005 . 2 . . . . 137 V CG2 . 16920 1 335 . 2 2 32 32 VAL N N 15 116.072 0.006 . 1 . . . . 137 V N . 16920 1 336 . 2 2 33 33 PHE H H 1 8.520 0.006 . 1 . . . . 138 F HN . 16920 1 337 . 2 2 33 33 PHE HA H 1 4.598 0.016 . 1 . . . . 138 F HA . 16920 1 338 . 2 2 33 33 PHE HB2 H 1 2.913 0.003 . 2 . . . . 138 F HB2 . 16920 1 339 . 2 2 33 33 PHE HB3 H 1 3.413 0.004 . 2 . . . . 138 F HB3 . 16920 1 340 . 2 2 33 33 PHE HD1 H 1 7.661 0.010 . 3 . . . . 138 F QD . 16920 1 341 . 2 2 33 33 PHE HD2 H 1 7.661 0.010 . 3 . . . . 138 F QD . 16920 1 342 . 2 2 33 33 PHE HE1 H 1 6.969 0.024 . 3 . . . . 138 F QE . 16920 1 343 . 2 2 33 33 PHE HE2 H 1 6.969 0.024 . 3 . . . . 138 F QE . 16920 1 344 . 2 2 33 33 PHE HZ H 1 7.470 0.011 . 1 . . . . 138 F HZ . 16920 1 345 . 2 2 33 33 PHE CA C 13 62.920 0.000 . 1 . . . . 138 F CA . 16920 1 346 . 2 2 33 33 PHE CB C 13 38.541 0.040 . 1 . . . . 138 F CB . 16920 1 347 . 2 2 33 33 PHE CD1 C 13 131.100 0.029 . 3 . . . . 138 F CD1 . 16920 1 348 . 2 2 33 33 PHE CE1 C 13 130.565 0.000 . 3 . . . . 138 F CE1 . 16920 1 349 . 2 2 33 33 PHE CZ C 13 131.412 0.000 . 1 . . . . 138 F CZ . 16920 1 350 . 2 2 33 33 PHE N N 15 114.967 0.002 . 1 . . . . 138 F N . 16920 1 351 . 2 2 34 34 SER H H 1 8.390 0.008 . 1 . . . . 139 S HN . 16920 1 352 . 2 2 34 34 SER HA H 1 4.901 0.003 . 1 . . . . 139 S HA . 16920 1 353 . 2 2 34 34 SER HB2 H 1 4.115 0.009 . 2 . . . . 139 S HB2 . 16920 1 354 . 2 2 34 34 SER HB3 H 1 4.166 0.007 . 2 . . . . 139 S HB3 . 16920 1 355 . 2 2 34 34 SER CA C 13 61.110 0.026 . 1 . . . . 139 S CA . 16920 1 356 . 2 2 34 34 SER CB C 13 63.076 0.026 . 1 . . . . 139 S CB . 16920 1 357 . 2 2 34 34 SER N N 15 114.913 0.065 . 1 . . . . 139 S N . 16920 1 358 . 2 2 35 35 LYS H H 1 6.988 0.006 . 1 . . . . 140 K HN . 16920 1 359 . 2 2 35 35 LYS HA H 1 4.035 0.001 . 1 . . . . 140 K HA . 16920 1 360 . 2 2 35 35 LYS HB2 H 1 1.381 0.014 . 2 . . . . 140 K HB2 . 16920 1 361 . 2 2 35 35 LYS HB3 H 1 1.413 0.000 . 2 . . . . 140 K HB3 . 16920 1 362 . 2 2 35 35 LYS HE2 H 1 2.954 0.012 . 2 . . . . 140 K QE . 16920 1 363 . 2 2 35 35 LYS HE3 H 1 2.954 0.012 . 2 . . . . 140 K QE . 16920 1 364 . 2 2 35 35 LYS HG2 H 1 1.098 0.007 . 2 . . . . 140 K HG2 . 16920 1 365 . 2 2 35 35 LYS HG3 H 1 1.179 0.015 . 2 . . . . 140 K HG3 . 16920 1 366 . 2 2 35 35 LYS CA C 13 57.780 0.000 . 1 . . . . 140 K CA . 16920 1 367 . 2 2 35 35 LYS CB C 13 31.790 0.000 . 1 . . . . 140 K CB . 16920 1 368 . 2 2 35 35 LYS CE C 13 42.041 0.000 . 1 . . . . 140 K CE . 16920 1 369 . 2 2 35 35 LYS CG C 13 23.993 0.034 . 1 . . . . 140 K CG . 16920 1 370 . 2 2 35 35 LYS N N 15 119.371 0.019 . 1 . . . . 140 K N . 16920 1 371 . 2 2 36 36 TYR H H 1 7.687 0.009 . 1 . . . . 141 Y HN . 16920 1 372 . 2 2 36 36 TYR HA H 1 4.546 0.017 . 1 . . . . 141 Y HA . 16920 1 373 . 2 2 36 36 TYR HB2 H 1 3.099 0.010 . 2 . . . . 141 Y HB2 . 16920 1 374 . 2 2 36 36 TYR HB3 H 1 3.415 0.008 . 2 . . . . 141 Y HB3 . 16920 1 375 . 2 2 36 36 TYR HD1 H 1 7.448 0.014 . 3 . . . . 141 Y QD . 16920 1 376 . 2 2 36 36 TYR HD2 H 1 7.448 0.014 . 3 . . . . 141 Y QD . 16920 1 377 . 2 2 36 36 TYR HE1 H 1 6.559 0.001 . 3 . . . . 141 Y QE . 16920 1 378 . 2 2 36 36 TYR HE2 H 1 6.559 0.001 . 3 . . . . 141 Y QE . 16920 1 379 . 2 2 36 36 TYR CA C 13 58.986 0.000 . 1 . . . . 141 Y CA . 16920 1 380 . 2 2 36 36 TYR CB C 13 38.762 0.037 . 1 . . . . 141 Y CB . 16920 1 381 . 2 2 36 36 TYR CD1 C 13 132.986 0.026 . 3 . . . . 141 Y CD1 . 16920 1 382 . 2 2 36 36 TYR CE1 C 13 118.028 0.002 . 3 . . . . 141 Y CE1 . 16920 1 383 . 2 2 36 36 TYR N N 15 116.207 0.053 . 1 . . . . 141 Y N . 16920 1 384 . 2 2 37 37 GLY H H 1 7.415 0.008 . 1 . . . . 142 G HN . 16920 1 385 . 2 2 37 37 GLY HA2 H 1 3.995 0.002 . 2 . . . . 142 G HA2 . 16920 1 386 . 2 2 37 37 GLY HA3 H 1 4.934 0.014 . 2 . . . . 142 G HA3 . 16920 1 387 . 2 2 37 37 GLY CA C 13 44.716 0.076 . 1 . . . . 142 G CA . 16920 1 388 . 2 2 37 37 GLY N N 15 106.300 0.001 . 1 . . . . 142 G N . 16920 1 389 . 2 2 38 38 PRO HA H 1 4.478 0.011 . 1 . . . . 143 P HA . 16920 1 390 . 2 2 38 38 PRO HB2 H 1 1.981 0.000 . 2 . . . . 143 P HB2 . 16920 1 391 . 2 2 38 38 PRO HB3 H 1 2.283 0.011 . 2 . . . . 143 P HB3 . 16920 1 392 . 2 2 38 38 PRO HD2 H 1 3.724 0.004 . 2 . . . . 143 P HD2 . 16920 1 393 . 2 2 38 38 PRO HD3 H 1 3.923 0.002 . 2 . . . . 143 P HD3 . 16920 1 394 . 2 2 38 38 PRO HG2 H 1 2.024 0.003 . 2 . . . . 143 P QG . 16920 1 395 . 2 2 38 38 PRO HG3 H 1 2.024 0.003 . 2 . . . . 143 P QG . 16920 1 396 . 2 2 38 38 PRO CA C 13 63.290 0.000 . 1 . . . . 143 P CA . 16920 1 397 . 2 2 38 38 PRO CB C 13 32.270 0.000 . 1 . . . . 143 P CB . 16920 1 398 . 2 2 38 38 PRO CD C 13 51.026 0.033 . 1 . . . . 143 P CD . 16920 1 399 . 2 2 38 38 PRO CG C 13 27.600 0.000 . 1 . . . . 143 P CG . 16920 1 400 . 2 2 39 39 ILE H H 1 8.447 0.012 . 1 . . . . 144 I HN . 16920 1 401 . 2 2 39 39 ILE HA H 1 4.188 0.009 . 1 . . . . 144 I HA . 16920 1 402 . 2 2 39 39 ILE HB H 1 1.748 0.004 . 1 . . . . 144 I HB . 16920 1 403 . 2 2 39 39 ILE HD11 H 1 0.287 0.005 . 2 . . . . 144 I QD1 . 16920 1 404 . 2 2 39 39 ILE HD12 H 1 0.287 0.005 . 2 . . . . 144 I QD1 . 16920 1 405 . 2 2 39 39 ILE HD13 H 1 0.287 0.005 . 2 . . . . 144 I QD1 . 16920 1 406 . 2 2 39 39 ILE HG12 H 1 0.901 0.011 . 2 . . . . 144 I HG12 . 16920 1 407 . 2 2 39 39 ILE HG13 H 1 1.411 0.004 . 2 . . . . 144 I HG13 . 16920 1 408 . 2 2 39 39 ILE HG21 H 1 0.569 0.002 . 2 . . . . 144 I QG2 . 16920 1 409 . 2 2 39 39 ILE HG22 H 1 0.569 0.002 . 2 . . . . 144 I QG2 . 16920 1 410 . 2 2 39 39 ILE HG23 H 1 0.569 0.002 . 2 . . . . 144 I QG2 . 16920 1 411 . 2 2 39 39 ILE CA C 13 58.947 0.025 . 1 . . . . 144 I CA . 16920 1 412 . 2 2 39 39 ILE CB C 13 39.608 0.038 . 1 . . . . 144 I CB . 16920 1 413 . 2 2 39 39 ILE CD1 C 13 12.467 0.014 . 1 . . . . 144 I CD1 . 16920 1 414 . 2 2 39 39 ILE CG1 C 13 26.998 0.002 . 1 . . . . 144 I CG1 . 16920 1 415 . 2 2 39 39 ILE CG2 C 13 18.204 0.017 . 1 . . . . 144 I CG2 . 16920 1 416 . 2 2 39 39 ILE N N 15 123.774 0.005 . 1 . . . . 144 I N . 16920 1 417 . 2 2 40 40 ALA H H 1 9.196 0.007 . 1 . . . . 145 A HN . 16920 1 418 . 2 2 40 40 ALA HA H 1 4.493 0.004 . 1 . . . . 145 A HA . 16920 1 419 . 2 2 40 40 ALA HB1 H 1 1.319 0.004 . 2 . . . . 145 A QB . 16920 1 420 . 2 2 40 40 ALA HB2 H 1 1.319 0.004 . 2 . . . . 145 A QB . 16920 1 421 . 2 2 40 40 ALA HB3 H 1 1.319 0.004 . 2 . . . . 145 A QB . 16920 1 422 . 2 2 40 40 ALA CA C 13 53.221 0.021 . 1 . . . . 145 A CA . 16920 1 423 . 2 2 40 40 ALA CB C 13 19.868 0.000 . 1 . . . . 145 A CB . 16920 1 424 . 2 2 40 40 ALA N N 15 130.758 0.004 . 1 . . . . 145 A N . 16920 1 425 . 2 2 41 41 ASP H H 1 7.670 0.012 . 1 . . . . 146 D HN . 16920 1 426 . 2 2 41 41 ASP HA H 1 4.799 0.008 . 1 . . . . 146 D HA . 16920 1 427 . 2 2 41 41 ASP HB2 H 1 2.245 0.004 . 2 . . . . 146 D HB2 . 16920 1 428 . 2 2 41 41 ASP HB3 H 1 2.638 0.003 . 2 . . . . 146 D HB3 . 16920 1 429 . 2 2 41 41 ASP CA C 13 54.240 0.000 . 1 . . . . 146 D CA . 16920 1 430 . 2 2 41 41 ASP CB C 13 43.834 0.032 . 1 . . . . 146 D CB . 16920 1 431 . 2 2 41 41 ASP N N 15 114.601 0.002 . 1 . . . . 146 D N . 16920 1 432 . 2 2 42 42 VAL H H 1 8.266 0.005 . 1 . . . . 147 V HN . 16920 1 433 . 2 2 42 42 VAL HA H 1 4.821 0.021 . 1 . . . . 147 V HA . 16920 1 434 . 2 2 42 42 VAL HB H 1 1.995 0.004 . 1 . . . . 147 V HB . 16920 1 435 . 2 2 42 42 VAL HG11 H 1 0.915 0.009 . 2 . . . . 147 V QG1 . 16920 1 436 . 2 2 42 42 VAL HG12 H 1 0.915 0.009 . 2 . . . . 147 V QG1 . 16920 1 437 . 2 2 42 42 VAL HG13 H 1 0.915 0.009 . 2 . . . . 147 V QG1 . 16920 1 438 . 2 2 42 42 VAL HG21 H 1 0.930 0.011 . 2 . . . . 147 V QG2 . 16920 1 439 . 2 2 42 42 VAL HG22 H 1 0.930 0.011 . 2 . . . . 147 V QG2 . 16920 1 440 . 2 2 42 42 VAL HG23 H 1 0.930 0.011 . 2 . . . . 147 V QG2 . 16920 1 441 . 2 2 42 42 VAL CB C 13 35.487 0.016 . 1 . . . . 147 V CB . 16920 1 442 . 2 2 42 42 VAL CG1 C 13 22.294 0.000 . 2 . . . . 147 V CG1 . 16920 1 443 . 2 2 42 42 VAL CG2 C 13 22.333 0.015 . 2 . . . . 147 V CG2 . 16920 1 444 . 2 2 42 42 VAL N N 15 120.886 0.013 . 1 . . . . 147 V N . 16920 1 445 . 2 2 43 43 SER H H 1 9.190 0.008 . 1 . . . . 148 S HN . 16920 1 446 . 2 2 43 43 SER HA H 1 5.091 0.009 . 1 . . . . 148 S HA . 16920 1 447 . 2 2 43 43 SER HB2 H 1 3.885 0.009 . 2 . . . . 148 S HB2 . 16920 1 448 . 2 2 43 43 SER HB3 H 1 4.046 0.014 . 2 . . . . 148 S HB3 . 16920 1 449 . 2 2 43 43 SER CA C 13 56.770 0.019 . 1 . . . . 148 S CA . 16920 1 450 . 2 2 43 43 SER CB C 13 65.620 0.033 . 1 . . . . 148 S CB . 16920 1 451 . 2 2 43 43 SER N N 15 121.305 0.012 . 1 . . . . 148 S N . 16920 1 452 . 2 2 44 44 ILE H H 1 8.890 0.010 . 1 . . . . 149 I HN . 16920 1 453 . 2 2 44 44 ILE HA H 1 3.830 0.007 . 1 . . . . 149 I HA . 16920 1 454 . 2 2 44 44 ILE HB H 1 1.610 0.003 . 1 . . . . 149 I HB . 16920 1 455 . 2 2 44 44 ILE HD11 H 1 0.609 0.005 . 2 . . . . 149 I QD1 . 16920 1 456 . 2 2 44 44 ILE HD12 H 1 0.609 0.005 . 2 . . . . 149 I QD1 . 16920 1 457 . 2 2 44 44 ILE HD13 H 1 0.609 0.005 . 2 . . . . 149 I QD1 . 16920 1 458 . 2 2 44 44 ILE HG12 H 1 0.753 0.007 . 2 . . . . 149 I HG12 . 16920 1 459 . 2 2 44 44 ILE HG13 H 1 1.386 0.004 . 2 . . . . 149 I HG13 . 16920 1 460 . 2 2 44 44 ILE HG21 H 1 0.223 0.007 . 2 . . . . 149 I QG2 . 16920 1 461 . 2 2 44 44 ILE HG22 H 1 0.223 0.007 . 2 . . . . 149 I QG2 . 16920 1 462 . 2 2 44 44 ILE HG23 H 1 0.223 0.007 . 2 . . . . 149 I QG2 . 16920 1 463 . 2 2 44 44 ILE CA C 13 60.933 0.019 . 1 . . . . 149 I CA . 16920 1 464 . 2 2 44 44 ILE CB C 13 38.281 0.030 . 1 . . . . 149 I CB . 16920 1 465 . 2 2 44 44 ILE CD1 C 13 12.917 0.009 . 1 . . . . 149 I CD1 . 16920 1 466 . 2 2 44 44 ILE CG1 C 13 29.729 0.043 . 1 . . . . 149 I CG1 . 16920 1 467 . 2 2 44 44 ILE CG2 C 13 16.303 0.010 . 1 . . . . 149 I CG2 . 16920 1 468 . 2 2 44 44 ILE N N 15 127.870 0.010 . 1 . . . . 149 I N . 16920 1 469 . 2 2 45 45 VAL H H 1 7.468 0.005 . 1 . . . . 150 V HN . 16920 1 470 . 2 2 45 45 VAL HA H 1 3.970 0.008 . 1 . . . . 150 V HA . 16920 1 471 . 2 2 45 45 VAL HB H 1 1.730 0.007 . 1 . . . . 150 V HB . 16920 1 472 . 2 2 45 45 VAL HG11 H 1 0.788 0.055 . 2 . . . . 150 V QG1 . 16920 1 473 . 2 2 45 45 VAL HG12 H 1 0.788 0.055 . 2 . . . . 150 V QG1 . 16920 1 474 . 2 2 45 45 VAL HG13 H 1 0.788 0.055 . 2 . . . . 150 V QG1 . 16920 1 475 . 2 2 45 45 VAL HG21 H 1 0.850 0.013 . 2 . . . . 150 V QG2 . 16920 1 476 . 2 2 45 45 VAL HG22 H 1 0.850 0.013 . 2 . . . . 150 V QG2 . 16920 1 477 . 2 2 45 45 VAL HG23 H 1 0.850 0.013 . 2 . . . . 150 V QG2 . 16920 1 478 . 2 2 45 45 VAL CA C 13 62.899 0.012 . 1 . . . . 150 V CA . 16920 1 479 . 2 2 45 45 VAL CB C 13 30.345 0.087 . 1 . . . . 150 V CB . 16920 1 480 . 2 2 45 45 VAL CG1 C 13 22.426 0.019 . 2 . . . . 150 V CG1 . 16920 1 481 . 2 2 45 45 VAL CG2 C 13 22.493 0.000 . 2 . . . . 150 V CG2 . 16920 1 482 . 2 2 45 45 VAL N N 15 126.864 0.053 . 1 . . . . 150 V N . 16920 1 483 . 2 2 46 46 TYR H H 1 8.562 0.009 . 1 . . . . 151 Y HN . 16920 1 484 . 2 2 46 46 TYR HA H 1 4.779 0.021 . 1 . . . . 151 Y HA . 16920 1 485 . 2 2 46 46 TYR HB2 H 1 2.624 0.017 . 2 . . . . 151 Y HB2 . 16920 1 486 . 2 2 46 46 TYR HB3 H 1 2.698 0.006 . 2 . . . . 151 Y HB3 . 16920 1 487 . 2 2 46 46 TYR HD1 H 1 6.942 0.006 . 3 . . . . 151 Y QD . 16920 1 488 . 2 2 46 46 TYR HD2 H 1 6.942 0.006 . 3 . . . . 151 Y QD . 16920 1 489 . 2 2 46 46 TYR HE1 H 1 6.815 0.009 . 3 . . . . 151 Y QE . 16920 1 490 . 2 2 46 46 TYR HE2 H 1 6.815 0.009 . 3 . . . . 151 Y QE . 16920 1 491 . 2 2 46 46 TYR CA C 13 57.979 0.000 . 1 . . . . 151 Y CA . 16920 1 492 . 2 2 46 46 TYR CB C 13 41.047 0.055 . 1 . . . . 151 Y CB . 16920 1 493 . 2 2 46 46 TYR CD1 C 13 133.316 0.008 . 3 . . . . 151 Y CD1 . 16920 1 494 . 2 2 46 46 TYR CE1 C 13 117.772 0.015 . 3 . . . . 151 Y CE1 . 16920 1 495 . 2 2 46 46 TYR N N 15 125.841 0.021 . 1 . . . . 151 Y N . 16920 1 496 . 2 2 47 47 ASP H H 1 9.011 0.010 . 1 . . . . 152 D HN . 16920 1 497 . 2 2 47 47 ASP HA H 1 4.789 0.014 . 1 . . . . 152 D HA . 16920 1 498 . 2 2 47 47 ASP HB2 H 1 2.628 0.002 . 2 . . . . 152 D HB2 . 16920 1 499 . 2 2 47 47 ASP HB3 H 1 3.120 0.004 . 2 . . . . 152 D HB3 . 16920 1 500 . 2 2 47 47 ASP CA C 13 54.052 0.000 . 1 . . . . 152 D CA . 16920 1 501 . 2 2 47 47 ASP CB C 13 42.609 0.034 . 1 . . . . 152 D CB . 16920 1 502 . 2 2 47 47 ASP N N 15 122.984 0.017 . 1 . . . . 152 D N . 16920 1 503 . 2 2 48 48 GLN H H 1 9.073 0.013 . 1 . . . . 153 Q HN . 16920 1 504 . 2 2 48 48 GLN HA H 1 4.112 0.004 . 1 . . . . 153 Q HA . 16920 1 505 . 2 2 48 48 GLN HB2 H 1 2.175 0.000 . 2 . . . . 153 Q HB2 . 16920 1 506 . 2 2 48 48 GLN HB3 H 1 2.268 0.010 . 2 . . . . 153 Q HB3 . 16920 1 507 . 2 2 48 48 GLN HE21 H 1 7.646 0.000 . 2 . . . . 153 Q HE21 . 16920 1 508 . 2 2 48 48 GLN HE22 H 1 6.921 0.000 . 2 . . . . 153 Q HE22 . 16920 1 509 . 2 2 48 48 GLN HG2 H 1 2.574 0.012 . 2 . . . . 153 Q HG2 . 16920 1 510 . 2 2 48 48 GLN HG3 H 1 2.612 0.011 . 2 . . . . 153 Q HG3 . 16920 1 511 . 2 2 48 48 GLN CA C 13 58.615 0.046 . 1 . . . . 153 Q CA . 16920 1 512 . 2 2 48 48 GLN CB C 13 28.730 0.012 . 1 . . . . 153 Q CB . 16920 1 513 . 2 2 48 48 GLN CG C 13 34.104 0.028 . 1 . . . . 153 Q CG . 16920 1 514 . 2 2 48 48 GLN N N 15 125.981 0.013 . 1 . . . . 153 Q N . 16920 1 515 . 2 2 48 48 GLN NE2 N 15 112.481 0.007 . 1 . . . . 153 Q NE2 . 16920 1 516 . 2 2 49 49 GLN H H 1 8.565 0.011 . 1 . . . . 154 Q HN . 16920 1 517 . 2 2 49 49 GLN HA H 1 4.388 0.012 . 1 . . . . 154 Q HA . 16920 1 518 . 2 2 49 49 GLN HB2 H 1 2.183 0.013 . 2 . . . . 154 Q HB2 . 16920 1 519 . 2 2 49 49 GLN HB3 H 1 2.273 0.003 . 2 . . . . 154 Q HB3 . 16920 1 520 . 2 2 49 49 GLN HG2 H 1 2.444 0.021 . 2 . . . . 154 Q HG2 . 16920 1 521 . 2 2 49 49 GLN HG3 H 1 2.513 0.012 . 2 . . . . 154 Q HG3 . 16920 1 522 . 2 2 49 49 GLN CA C 13 58.050 0.001 . 1 . . . . 154 Q CA . 16920 1 523 . 2 2 49 49 GLN CB C 13 29.277 0.037 . 1 . . . . 154 Q CB . 16920 1 524 . 2 2 49 49 GLN CG C 13 34.308 0.024 . 1 . . . . 154 Q CG . 16920 1 525 . 2 2 49 49 GLN N N 15 116.941 0.029 . 1 . . . . 154 Q N . 16920 1 526 . 2 2 50 50 SER H H 1 8.448 0.006 . 1 . . . . 155 S HN . 16920 1 527 . 2 2 50 50 SER HA H 1 4.471 0.007 . 1 . . . . 155 S HA . 16920 1 528 . 2 2 50 50 SER HB2 H 1 3.941 0.000 . 2 . . . . 155 S HB2 . 16920 1 529 . 2 2 50 50 SER HB3 H 1 4.033 0.000 . 2 . . . . 155 S HB3 . 16920 1 530 . 2 2 50 50 SER CA C 13 58.776 0.000 . 1 . . . . 155 S CA . 16920 1 531 . 2 2 50 50 SER CB C 13 64.962 0.000 . 1 . . . . 155 S CB . 16920 1 532 . 2 2 50 50 SER N N 15 113.573 0.002 . 1 . . . . 155 S N . 16920 1 533 . 2 2 51 51 ARG H H 1 8.146 0.006 . 1 . . . . 156 R HN . 16920 1 534 . 2 2 51 51 ARG HA H 1 4.021 0.006 . 1 . . . . 156 R HA . 16920 1 535 . 2 2 51 51 ARG HB2 H 1 1.554 0.010 . 2 . . . . 156 R HB2 . 16920 1 536 . 2 2 51 51 ARG HB3 H 1 1.627 0.000 . 2 . . . . 156 R HB3 . 16920 1 537 . 2 2 51 51 ARG HD2 H 1 3.161 0.023 . 2 . . . . 156 R HD2 . 16920 1 538 . 2 2 51 51 ARG HD3 H 1 3.183 0.000 . 2 . . . . 156 R HD3 . 16920 1 539 . 2 2 51 51 ARG HG2 H 1 2.064 0.003 . 2 . . . . 156 R HG2 . 16920 1 540 . 2 2 51 51 ARG HG3 H 1 2.173 0.007 . 2 . . . . 156 R HG3 . 16920 1 541 . 2 2 51 51 ARG CA C 13 57.288 0.007 . 1 . . . . 156 R CA . 16920 1 542 . 2 2 51 51 ARG CD C 13 42.728 0.023 . 1 . . . . 156 R CD . 16920 1 543 . 2 2 51 51 ARG CG C 13 26.740 0.028 . 1 . . . . 156 R CG . 16920 1 544 . 2 2 51 51 ARG N N 15 116.696 0.038 . 1 . . . . 156 R N . 16920 1 545 . 2 2 52 52 ARG H H 1 7.797 0.006 . 1 . . . . 157 R HN . 16920 1 546 . 2 2 52 52 ARG HA H 1 4.627 0.005 . 1 . . . . 157 R HA . 16920 1 547 . 2 2 52 52 ARG HB2 H 1 1.772 0.004 . 2 . . . . 157 R HB2 . 16920 1 548 . 2 2 52 52 ARG HB3 H 1 1.935 0.006 . 2 . . . . 157 R HB3 . 16920 1 549 . 2 2 52 52 ARG HD2 H 1 2.628 0.004 . 2 . . . . 157 R HD2 . 16920 1 550 . 2 2 52 52 ARG HD3 H 1 3.119 0.003 . 2 . . . . 157 R HD3 . 16920 1 551 . 2 2 52 52 ARG HG2 H 1 1.764 0.004 . 2 . . . . 157 R QG . 16920 1 552 . 2 2 52 52 ARG HG3 H 1 1.764 0.004 . 2 . . . . 157 R QG . 16920 1 553 . 2 2 52 52 ARG CA C 13 55.120 0.000 . 1 . . . . 157 R CA . 16920 1 554 . 2 2 52 52 ARG CB C 13 32.342 0.043 . 1 . . . . 157 R CB . 16920 1 555 . 2 2 52 52 ARG CD C 13 42.626 0.042 . 1 . . . . 157 R CD . 16920 1 556 . 2 2 52 52 ARG CG C 13 27.320 0.000 . 1 . . . . 157 R CG . 16920 1 557 . 2 2 52 52 ARG N N 15 117.844 0.020 . 1 . . . . 157 R N . 16920 1 558 . 2 2 53 53 SER H H 1 8.855 0.009 . 1 . . . . 158 S HN . 16920 1 559 . 2 2 53 53 SER HA H 1 3.954 0.010 . 1 . . . . 158 S HA . 16920 1 560 . 2 2 53 53 SER HB2 H 1 3.820 0.018 . 2 . . . . 158 S HB2 . 16920 1 561 . 2 2 53 53 SER HB3 H 1 3.919 0.011 . 2 . . . . 158 S HB3 . 16920 1 562 . 2 2 53 53 SER CA C 13 58.027 0.000 . 1 . . . . 158 S CA . 16920 1 563 . 2 2 53 53 SER CB C 13 63.892 0.033 . 1 . . . . 158 S CB . 16920 1 564 . 2 2 53 53 SER N N 15 117.140 0.081 . 1 . . . . 158 S N . 16920 1 565 . 2 2 54 54 ARG H H 1 9.150 0.014 . 1 . . . . 159 R HN . 16920 1 566 . 2 2 54 54 ARG HA H 1 4.402 0.010 . 1 . . . . 159 R HA . 16920 1 567 . 2 2 54 54 ARG HB2 H 1 1.174 0.004 . 2 . . . . 159 R HB2 . 16920 1 568 . 2 2 54 54 ARG HB3 H 1 2.267 0.008 . 2 . . . . 159 R HB3 . 16920 1 569 . 2 2 54 54 ARG HD2 H 1 3.371 0.021 . 2 . . . . 159 R QD . 16920 1 570 . 2 2 54 54 ARG HD3 H 1 3.371 0.021 . 2 . . . . 159 R QD . 16920 1 571 . 2 2 54 54 ARG HE H 1 7.589 0.001 . 1 . . . . 159 R HE . 16920 1 572 . 2 2 54 54 ARG HG2 H 1 1.722 0.008 . 2 . . . . 159 R QG . 16920 1 573 . 2 2 54 54 ARG HG3 H 1 1.722 0.008 . 2 . . . . 159 R QG . 16920 1 574 . 2 2 54 54 ARG CA C 13 56.492 0.032 . 1 . . . . 159 R CA . 16920 1 575 . 2 2 54 54 ARG CB C 13 30.371 0.005 . 1 . . . . 159 R CB . 16920 1 576 . 2 2 54 54 ARG CD C 13 43.773 0.000 . 1 . . . . 159 R CD . 16920 1 577 . 2 2 54 54 ARG CG C 13 28.051 0.036 . 1 . . . . 159 R CG . 16920 1 578 . 2 2 54 54 ARG N N 15 122.705 0.005 . 1 . . . . 159 R N . 16920 1 579 . 2 2 54 54 ARG NE N 15 117.640 0.016 . 1 . . . . 159 R NE . 16920 1 580 . 2 2 55 55 GLY H H 1 9.234 0.005 . 1 . . . . 160 G HN . 16920 1 581 . 2 2 55 55 GLY HA2 H 1 3.137 0.003 . 2 . . . . 160 G HA2 . 16920 1 582 . 2 2 55 55 GLY HA3 H 1 4.005 0.008 . 2 . . . . 160 G HA3 . 16920 1 583 . 2 2 55 55 GLY CA C 13 46.263 0.002 . 1 . . . . 160 G CA . 16920 1 584 . 2 2 55 55 GLY N N 15 107.791 0.002 . 1 . . . . 160 G N . 16920 1 585 . 2 2 56 56 PHE H H 1 6.950 0.009 . 1 . . . . 161 F HN . 16920 1 586 . 2 2 56 56 PHE HA H 1 5.041 0.006 . 1 . . . . 161 F HA . 16920 1 587 . 2 2 56 56 PHE HB2 H 1 2.332 0.012 . 2 . . . . 161 F HB2 . 16920 1 588 . 2 2 56 56 PHE HB3 H 1 3.386 0.020 . 2 . . . . 161 F HB3 . 16920 1 589 . 2 2 56 56 PHE HD1 H 1 6.669 0.007 . 3 . . . . 161 F QD . 16920 1 590 . 2 2 56 56 PHE HD2 H 1 6.669 0.007 . 3 . . . . 161 F QD . 16920 1 591 . 2 2 56 56 PHE HE1 H 1 7.251 0.005 . 3 . . . . 161 F QE . 16920 1 592 . 2 2 56 56 PHE HE2 H 1 7.251 0.005 . 3 . . . . 161 F QE . 16920 1 593 . 2 2 56 56 PHE HZ H 1 7.333 0.010 . 1 . . . . 161 F HZ . 16920 1 594 . 2 2 56 56 PHE CA C 13 55.082 0.013 . 1 . . . . 161 F CA . 16920 1 595 . 2 2 56 56 PHE CB C 13 41.404 0.007 . 1 . . . . 161 F CB . 16920 1 596 . 2 2 56 56 PHE CD1 C 13 132.871 0.021 . 3 . . . . 161 F CD1 . 16920 1 597 . 2 2 56 56 PHE CE1 C 13 130.333 0.027 . 3 . . . . 161 F CE1 . 16920 1 598 . 2 2 56 56 PHE CZ C 13 128.698 0.035 . 1 . . . . 161 F CZ . 16920 1 599 . 2 2 56 56 PHE N N 15 111.857 0.046 . 1 . . . . 161 F N . 16920 1 600 . 2 2 57 57 ALA H H 1 8.287 0.004 . 1 . . . . 162 A HN . 16920 1 601 . 2 2 57 57 ALA HA H 1 4.573 0.006 . 1 . . . . 162 A HA . 16920 1 602 . 2 2 57 57 ALA HB1 H 1 0.768 0.003 . 2 . . . . 162 A QB . 16920 1 603 . 2 2 57 57 ALA HB2 H 1 0.768 0.003 . 2 . . . . 162 A QB . 16920 1 604 . 2 2 57 57 ALA HB3 H 1 0.768 0.003 . 2 . . . . 162 A QB . 16920 1 605 . 2 2 57 57 ALA CA C 13 49.571 0.017 . 1 . . . . 162 A CA . 16920 1 606 . 2 2 57 57 ALA CB C 13 26.502 0.009 . 1 . . . . 162 A CB . 16920 1 607 . 2 2 57 57 ALA N N 15 119.574 0.001 . 1 . . . . 162 A N . 16920 1 608 . 2 2 58 58 PHE H H 1 8.278 0.005 . 1 . . . . 163 F HN . 16920 1 609 . 2 2 58 58 PHE HA H 1 5.084 0.011 . 1 . . . . 163 F HA . 16920 1 610 . 2 2 58 58 PHE HB2 H 1 2.205 0.017 . 2 . . . . 163 F HB2 . 16920 1 611 . 2 2 58 58 PHE HB3 H 1 2.339 0.010 . 2 . . . . 163 F HB3 . 16920 1 612 . 2 2 58 58 PHE HD1 H 1 6.382 0.047 . 3 . . . . 163 F QD . 16920 1 613 . 2 2 58 58 PHE HD2 H 1 6.382 0.047 . 3 . . . . 163 F QD . 16920 1 614 . 2 2 58 58 PHE HE1 H 1 6.426 0.011 . 3 . . . . 163 F QE . 16920 1 615 . 2 2 58 58 PHE HE2 H 1 6.426 0.011 . 3 . . . . 163 F QE . 16920 1 616 . 2 2 58 58 PHE HZ H 1 6.836 0.029 . 1 . . . . 163 F HZ . 16920 1 617 . 2 2 58 58 PHE CA C 13 56.784 0.000 . 1 . . . . 163 F CA . 16920 1 618 . 2 2 58 58 PHE CB C 13 42.927 0.047 . 1 . . . . 163 F CB . 16920 1 619 . 2 2 58 58 PHE CD1 C 13 130.709 0.032 . 3 . . . . 163 F CD1 . 16920 1 620 . 2 2 58 58 PHE CE1 C 13 128.989 0.000 . 3 . . . . 163 F CE1 . 16920 1 621 . 2 2 58 58 PHE CZ C 13 127.688 0.001 . 1 . . . . 163 F CZ . 16920 1 622 . 2 2 58 58 PHE N N 15 114.345 0.036 . 1 . . . . 163 F N . 16920 1 623 . 2 2 59 59 VAL H H 1 9.019 0.007 . 1 . . . . 164 V HN . 16920 1 624 . 2 2 59 59 VAL HA H 1 4.327 0.002 . 1 . . . . 164 V HA . 16920 1 625 . 2 2 59 59 VAL HB H 1 1.416 0.003 . 1 . . . . 164 V HB . 16920 1 626 . 2 2 59 59 VAL HG11 H 1 0.270 0.009 . 2 . . . . 164 V QG1 . 16920 1 627 . 2 2 59 59 VAL HG12 H 1 0.270 0.009 . 2 . . . . 164 V QG1 . 16920 1 628 . 2 2 59 59 VAL HG13 H 1 0.270 0.009 . 2 . . . . 164 V QG1 . 16920 1 629 . 2 2 59 59 VAL HG21 H 1 0.317 0.011 . 2 . . . . 164 V QG2 . 16920 1 630 . 2 2 59 59 VAL HG22 H 1 0.317 0.011 . 2 . . . . 164 V QG2 . 16920 1 631 . 2 2 59 59 VAL HG23 H 1 0.317 0.011 . 2 . . . . 164 V QG2 . 16920 1 632 . 2 2 59 59 VAL CA C 13 61.128 0.036 . 1 . . . . 164 V CA . 16920 1 633 . 2 2 59 59 VAL CB C 13 34.302 0.024 . 1 . . . . 164 V CB . 16920 1 634 . 2 2 59 59 VAL CG1 C 13 20.523 0.033 . 2 . . . . 164 V CG1 . 16920 1 635 . 2 2 59 59 VAL CG2 C 13 21.481 0.018 . 2 . . . . 164 V CG2 . 16920 1 636 . 2 2 59 59 VAL N N 15 123.030 0.078 . 1 . . . . 164 V N . 16920 1 637 . 2 2 60 60 TYR H H 1 9.003 0.014 . 1 . . . . 165 Y HN . 16920 1 638 . 2 2 60 60 TYR HA H 1 4.997 0.040 . 1 . . . . 165 Y HA . 16920 1 639 . 2 2 60 60 TYR HB2 H 1 2.949 0.030 . 2 . . . . 165 Y HB2 . 16920 1 640 . 2 2 60 60 TYR HB3 H 1 3.029 0.010 . 2 . . . . 165 Y HB3 . 16920 1 641 . 2 2 60 60 TYR HD1 H 1 7.123 0.015 . 3 . . . . 165 Y QD . 16920 1 642 . 2 2 60 60 TYR HD2 H 1 7.123 0.015 . 3 . . . . 165 Y QD . 16920 1 643 . 2 2 60 60 TYR HE1 H 1 6.887 0.015 . 3 . . . . 165 Y QE . 16920 1 644 . 2 2 60 60 TYR HE2 H 1 6.887 0.015 . 3 . . . . 165 Y QE . 16920 1 645 . 2 2 60 60 TYR CA C 13 57.184 0.084 . 1 . . . . 165 Y CA . 16920 1 646 . 2 2 60 60 TYR CB C 13 39.110 0.073 . 1 . . . . 165 Y CB . 16920 1 647 . 2 2 60 60 TYR CD1 C 13 133.238 0.023 . 3 . . . . 165 Y CD1 . 16920 1 648 . 2 2 60 60 TYR CE1 C 13 119.307 0.027 . 3 . . . . 165 Y CE1 . 16920 1 649 . 2 2 60 60 TYR N N 15 125.367 0.016 . 1 . . . . 165 Y N . 16920 1 650 . 2 2 61 61 PHE H H 1 9.177 0.003 . 1 . . . . 166 F HN . 16920 1 651 . 2 2 61 61 PHE HA H 1 4.720 0.030 . 1 . . . . 166 F HA . 16920 1 652 . 2 2 61 61 PHE HB2 H 1 3.099 0.006 . 2 . . . . 166 F HB2 . 16920 1 653 . 2 2 61 61 PHE HB3 H 1 3.861 0.003 . 2 . . . . 166 F HB3 . 16920 1 654 . 2 2 61 61 PHE HD1 H 1 7.449 0.010 . 3 . . . . 166 F QD . 16920 1 655 . 2 2 61 61 PHE HD2 H 1 7.449 0.010 . 3 . . . . 166 F QD . 16920 1 656 . 2 2 61 61 PHE HE1 H 1 7.202 0.019 . 3 . . . . 166 F QE . 16920 1 657 . 2 2 61 61 PHE HE2 H 1 7.202 0.019 . 3 . . . . 166 F QE . 16920 1 658 . 2 2 61 61 PHE HZ H 1 7.650 0.013 . 1 . . . . 166 F HZ . 16920 1 659 . 2 2 61 61 PHE CA C 13 60.617 0.000 . 1 . . . . 166 F CA . 16920 1 660 . 2 2 61 61 PHE CB C 13 40.180 0.038 . 1 . . . . 166 F CB . 16920 1 661 . 2 2 61 61 PHE CD1 C 13 131.400 0.000 . 3 . . . . 166 F CD1 . 16920 1 662 . 2 2 61 61 PHE CE1 C 13 131.409 0.012 . 3 . . . . 166 F CE1 . 16920 1 663 . 2 2 61 61 PHE CZ C 13 130.900 0.000 . 1 . . . . 166 F CZ . 16920 1 664 . 2 2 61 61 PHE N N 15 124.469 0.020 . 1 . . . . 166 F N . 16920 1 665 . 2 2 62 62 GLU H H 1 8.155 0.002 . 1 . . . . 167 E HN . 16920 1 666 . 2 2 62 62 GLU HA H 1 4.354 0.004 . 1 . . . . 167 E HA . 16920 1 667 . 2 2 62 62 GLU HG2 H 1 2.143 0.075 . 2 . . . . 167 E HG2 . 16920 1 668 . 2 2 62 62 GLU HG3 H 1 2.288 0.012 . 2 . . . . 167 E HG3 . 16920 1 669 . 2 2 62 62 GLU CA C 13 58.901 0.000 . 1 . . . . 167 E CA . 16920 1 670 . 2 2 62 62 GLU CG C 13 36.547 0.026 . 1 . . . . 167 E CG . 16920 1 671 . 2 2 62 62 GLU N N 15 118.087 0.010 . 1 . . . . 167 E N . 16920 1 672 . 2 2 63 63 ASN H H 1 9.029 0.003 . 1 . . . . 168 N HN . 16920 1 673 . 2 2 63 63 ASN HA H 1 5.216 0.005 . 1 . . . . 168 N HA . 16920 1 674 . 2 2 63 63 ASN HB2 H 1 2.887 0.004 . 2 . . . . 168 N HB2 . 16920 1 675 . 2 2 63 63 ASN HB3 H 1 3.067 0.002 . 2 . . . . 168 N HB3 . 16920 1 676 . 2 2 63 63 ASN HD21 H 1 7.266 0.000 . 2 . . . . 168 N HD21 . 16920 1 677 . 2 2 63 63 ASN HD22 H 1 7.681 0.000 . 2 . . . . 168 N HD22 . 16920 1 678 . 2 2 63 63 ASN CA C 13 52.048 0.017 . 1 . . . . 168 N CA . 16920 1 679 . 2 2 63 63 ASN CB C 13 41.318 0.013 . 1 . . . . 168 N CB . 16920 1 680 . 2 2 63 63 ASN N N 15 115.919 0.003 . 1 . . . . 168 N N . 16920 1 681 . 2 2 63 63 ASN ND2 N 15 114.628 0.000 . 1 . . . . 168 N ND2 . 16920 1 682 . 2 2 64 64 VAL H H 1 8.946 0.009 . 1 . . . . 169 V HN . 16920 1 683 . 2 2 64 64 VAL HA H 1 3.750 0.002 . 1 . . . . 169 V HA . 16920 1 684 . 2 2 64 64 VAL HB H 1 2.161 0.012 . 1 . . . . 169 V HB . 16920 1 685 . 2 2 64 64 VAL HG11 H 1 0.946 0.013 . 2 . . . . 169 V QG1 . 16920 1 686 . 2 2 64 64 VAL HG12 H 1 0.946 0.013 . 2 . . . . 169 V QG1 . 16920 1 687 . 2 2 64 64 VAL HG13 H 1 0.946 0.013 . 2 . . . . 169 V QG1 . 16920 1 688 . 2 2 64 64 VAL HG21 H 1 0.953 0.006 . 2 . . . . 169 V QG2 . 16920 1 689 . 2 2 64 64 VAL HG22 H 1 0.953 0.006 . 2 . . . . 169 V QG2 . 16920 1 690 . 2 2 64 64 VAL HG23 H 1 0.953 0.006 . 2 . . . . 169 V QG2 . 16920 1 691 . 2 2 64 64 VAL CA C 13 65.518 0.011 . 1 . . . . 169 V CA . 16920 1 692 . 2 2 64 64 VAL CB C 13 31.652 0.002 . 1 . . . . 169 V CB . 16920 1 693 . 2 2 64 64 VAL CG1 C 13 20.114 0.052 . 2 . . . . 169 V CG1 . 16920 1 694 . 2 2 64 64 VAL CG2 C 13 19.850 0.000 . 2 . . . . 169 V CG2 . 16920 1 695 . 2 2 64 64 VAL N N 15 125.829 0.024 . 1 . . . . 169 V N . 16920 1 696 . 2 2 65 65 ASP H H 1 8.442 0.007 . 1 . . . . 170 D HN . 16920 1 697 . 2 2 65 65 ASP HB2 H 1 2.683 0.008 . 2 . . . . 170 D HB2 . 16920 1 698 . 2 2 65 65 ASP HB3 H 1 2.769 0.006 . 2 . . . . 170 D HB3 . 16920 1 699 . 2 2 65 65 ASP CB C 13 39.957 0.019 . 1 . . . . 170 D CB . 16920 1 700 . 2 2 65 65 ASP N N 15 121.214 0.010 . 1 . . . . 170 D N . 16920 1 701 . 2 2 66 66 ASP H H 1 7.430 0.005 . 1 . . . . 171 D HN . 16920 1 702 . 2 2 66 66 ASP HA H 1 4.475 0.009 . 1 . . . . 171 D HA . 16920 1 703 . 2 2 66 66 ASP HB2 H 1 3.010 0.040 . 2 . . . . 171 D HB2 . 16920 1 704 . 2 2 66 66 ASP HB3 H 1 3.085 0.000 . 2 . . . . 171 D HB3 . 16920 1 705 . 2 2 66 66 ASP CA C 13 56.638 0.000 . 1 . . . . 171 D CA . 16920 1 706 . 2 2 66 66 ASP CB C 13 40.217 0.016 . 1 . . . . 171 D CB . 16920 1 707 . 2 2 66 66 ASP N N 15 121.820 0.012 . 1 . . . . 171 D N . 16920 1 708 . 2 2 67 67 ALA H H 1 6.989 0.003 . 1 . . . . 172 A HN . 16920 1 709 . 2 2 67 67 ALA HA H 1 3.037 0.002 . 1 . . . . 172 A HA . 16920 1 710 . 2 2 67 67 ALA HB1 H 1 1.610 0.003 . 2 . . . . 172 A QB . 16920 1 711 . 2 2 67 67 ALA HB2 H 1 1.610 0.003 . 2 . . . . 172 A QB . 16920 1 712 . 2 2 67 67 ALA HB3 H 1 1.610 0.003 . 2 . . . . 172 A QB . 16920 1 713 . 2 2 67 67 ALA CA C 13 54.693 0.019 . 1 . . . . 172 A CA . 16920 1 714 . 2 2 67 67 ALA CB C 13 18.966 0.002 . 1 . . . . 172 A CB . 16920 1 715 . 2 2 67 67 ALA N N 15 121.663 0.002 . 1 . . . . 172 A N . 16920 1 716 . 2 2 68 68 LYS H H 1 8.369 0.003 . 1 . . . . 173 K HN . 16920 1 717 . 2 2 68 68 LYS HA H 1 4.122 0.004 . 1 . . . . 173 K HA . 16920 1 718 . 2 2 68 68 LYS HB2 H 1 2.056 0.021 . 2 . . . . 173 K HB2 . 16920 1 719 . 2 2 68 68 LYS HB3 H 1 2.132 0.019 . 2 . . . . 173 K HB3 . 16920 1 720 . 2 2 68 68 LYS HE2 H 1 3.050 0.017 . 2 . . . . 173 K QE . 16920 1 721 . 2 2 68 68 LYS HE3 H 1 3.050 0.017 . 2 . . . . 173 K QE . 16920 1 722 . 2 2 68 68 LYS HG2 H 1 1.636 0.017 . 2 . . . . 173 K HG2 . 16920 1 723 . 2 2 68 68 LYS HG3 H 1 1.885 0.016 . 2 . . . . 173 K HG3 . 16920 1 724 . 2 2 68 68 LYS CA C 13 60.360 0.000 . 1 . . . . 173 K CA . 16920 1 725 . 2 2 68 68 LYS CB C 13 32.840 0.000 . 1 . . . . 173 K CB . 16920 1 726 . 2 2 68 68 LYS CE C 13 41.250 0.000 . 1 . . . . 173 K CE . 16920 1 727 . 2 2 68 68 LYS CG C 13 25.783 0.013 . 1 . . . . 173 K CG . 16920 1 728 . 2 2 68 68 LYS N N 15 116.192 0.038 . 1 . . . . 173 K N . 16920 1 729 . 2 2 69 69 GLU H H 1 7.399 0.003 . 1 . . . . 174 E HN . 16920 1 730 . 2 2 69 69 GLU HA H 1 4.144 0.005 . 1 . . . . 174 E HA . 16920 1 731 . 2 2 69 69 GLU HB2 H 1 2.151 0.012 . 2 . . . . 174 E QB . 16920 1 732 . 2 2 69 69 GLU HB3 H 1 2.151 0.012 . 2 . . . . 174 E QB . 16920 1 733 . 2 2 69 69 GLU HG2 H 1 2.414 0.013 . 2 . . . . 174 E HG2 . 16920 1 734 . 2 2 69 69 GLU HG3 H 1 2.480 0.012 . 2 . . . . 174 E HG3 . 16920 1 735 . 2 2 69 69 GLU CA C 13 58.910 0.000 . 1 . . . . 174 E CA . 16920 1 736 . 2 2 69 69 GLU CB C 13 29.430 0.000 . 1 . . . . 174 E CB . 16920 1 737 . 2 2 69 69 GLU CG C 13 35.633 0.000 . 1 . . . . 174 E CG . 16920 1 738 . 2 2 69 69 GLU N N 15 119.878 0.027 . 1 . . . . 174 E N . 16920 1 739 . 2 2 70 70 ALA H H 1 8.069 0.005 . 1 . . . . 175 A HN . 16920 1 740 . 2 2 70 70 ALA HB1 H 1 1.183 0.002 . 2 . . . . 175 A QB . 16920 1 741 . 2 2 70 70 ALA HB2 H 1 1.183 0.002 . 2 . . . . 175 A QB . 16920 1 742 . 2 2 70 70 ALA HB3 H 1 1.183 0.002 . 2 . . . . 175 A QB . 16920 1 743 . 2 2 70 70 ALA CA C 13 54.521 0.006 . 1 . . . . 175 A CA . 16920 1 744 . 2 2 70 70 ALA CB C 13 20.647 0.025 . 1 . . . . 175 A CB . 16920 1 745 . 2 2 70 70 ALA N N 15 120.814 0.006 . 1 . . . . 175 A N . 16920 1 746 . 2 2 71 71 LYS H H 1 8.234 0.002 . 1 . . . . 176 K HN . 16920 1 747 . 2 2 71 71 LYS HA H 1 3.543 0.006 . 1 . . . . 176 K HA . 16920 1 748 . 2 2 71 71 LYS HB2 H 1 1.575 0.020 . 2 . . . . 176 K HB2 . 16920 1 749 . 2 2 71 71 LYS HB3 H 1 1.652 0.024 . 2 . . . . 176 K HB3 . 16920 1 750 . 2 2 71 71 LYS HD2 H 1 1.196 0.006 . 2 . . . . 176 K QD . 16920 1 751 . 2 2 71 71 LYS HD3 H 1 1.196 0.006 . 2 . . . . 176 K QD . 16920 1 752 . 2 2 71 71 LYS HE2 H 1 2.987 0.015 . 2 . . . . 176 K QE . 16920 1 753 . 2 2 71 71 LYS HE3 H 1 2.987 0.015 . 2 . . . . 176 K QE . 16920 1 754 . 2 2 71 71 LYS HG2 H 1 0.507 0.010 . 2 . . . . 176 K HG2 . 16920 1 755 . 2 2 71 71 LYS HG3 H 1 0.942 0.015 . 2 . . . . 176 K HG3 . 16920 1 756 . 2 2 71 71 LYS CA C 13 60.045 0.000 . 1 . . . . 176 K CA . 16920 1 757 . 2 2 71 71 LYS CB C 13 31.920 0.000 . 1 . . . . 176 K CB . 16920 1 758 . 2 2 71 71 LYS CD C 13 29.742 0.025 . 1 . . . . 176 K CD . 16920 1 759 . 2 2 71 71 LYS CE C 13 42.574 0.043 . 1 . . . . 176 K CE . 16920 1 760 . 2 2 71 71 LYS CG C 13 24.280 0.055 . 1 . . . . 176 K CG . 16920 1 761 . 2 2 71 71 LYS N N 15 117.489 0.035 . 1 . . . . 176 K N . 16920 1 762 . 2 2 72 72 GLU H H 1 7.387 0.004 . 1 . . . . 177 E HN . 16920 1 763 . 2 2 72 72 GLU HA H 1 4.132 0.005 . 1 . . . . 177 E HA . 16920 1 764 . 2 2 72 72 GLU HB2 H 1 2.162 0.001 . 2 . . . . 177 E QB . 16920 1 765 . 2 2 72 72 GLU HB3 H 1 2.162 0.001 . 2 . . . . 177 E QB . 16920 1 766 . 2 2 72 72 GLU HG2 H 1 2.410 0.008 . 2 . . . . 177 E HG2 . 16920 1 767 . 2 2 72 72 GLU HG3 H 1 2.478 0.014 . 2 . . . . 177 E HG3 . 16920 1 768 . 2 2 72 72 GLU CA C 13 58.340 0.000 . 1 . . . . 177 E CA . 16920 1 769 . 2 2 72 72 GLU CB C 13 30.043 0.017 . 1 . . . . 177 E CB . 16920 1 770 . 2 2 72 72 GLU CG C 13 35.873 0.034 . 1 . . . . 177 E CG . 16920 1 771 . 2 2 72 72 GLU N N 15 114.825 0.063 . 1 . . . . 177 E N . 16920 1 772 . 2 2 73 73 ARG H H 1 8.242 0.009 . 1 . . . . 178 R HN . 16920 1 773 . 2 2 73 73 ARG HA H 1 4.320 0.017 . 1 . . . . 178 R HA . 16920 1 774 . 2 2 73 73 ARG HB2 H 1 1.693 0.005 . 2 . . . . 178 R HB2 . 16920 1 775 . 2 2 73 73 ARG HB3 H 1 2.050 0.011 . 2 . . . . 178 R HB3 . 16920 1 776 . 2 2 73 73 ARG HD2 H 1 3.315 0.004 . 2 . . . . 178 R QD . 16920 1 777 . 2 2 73 73 ARG HD3 H 1 3.315 0.004 . 2 . . . . 178 R QD . 16920 1 778 . 2 2 73 73 ARG HG2 H 1 1.842 0.017 . 2 . . . . 178 R HG2 . 16920 1 779 . 2 2 73 73 ARG HG3 H 1 1.909 0.018 . 2 . . . . 178 R HG3 . 16920 1 780 . 2 2 73 73 ARG CA C 13 57.440 0.000 . 1 . . . . 178 R CA . 16920 1 781 . 2 2 73 73 ARG CB C 13 31.227 0.031 . 1 . . . . 178 R CB . 16920 1 782 . 2 2 73 73 ARG CD C 13 43.339 0.023 . 1 . . . . 178 R CD . 16920 1 783 . 2 2 73 73 ARG CG C 13 27.380 0.025 . 1 . . . . 178 R CG . 16920 1 784 . 2 2 73 73 ARG N N 15 115.553 0.037 . 1 . . . . 178 R N . 16920 1 785 . 2 2 74 74 ALA H H 1 8.814 0.034 . 1 . . . . 179 A HN . 16920 1 786 . 2 2 74 74 ALA HA H 1 4.397 0.006 . 1 . . . . 179 A HA . 16920 1 787 . 2 2 74 74 ALA HB1 H 1 1.295 0.002 . 2 . . . . 179 A QB . 16920 1 788 . 2 2 74 74 ALA HB2 H 1 1.295 0.002 . 2 . . . . 179 A QB . 16920 1 789 . 2 2 74 74 ALA HB3 H 1 1.295 0.002 . 2 . . . . 179 A QB . 16920 1 790 . 2 2 74 74 ALA CA C 13 52.627 0.018 . 1 . . . . 179 A CA . 16920 1 791 . 2 2 74 74 ALA CB C 13 19.892 0.022 . 1 . . . . 179 A CB . 16920 1 792 . 2 2 74 74 ALA N N 15 119.552 0.000 . 1 . . . . 179 A N . 16920 1 793 . 2 2 75 75 ASN H H 1 6.721 0.006 . 1 . . . . 180 N HN . 16920 1 794 . 2 2 75 75 ASN HA H 1 4.322 0.004 . 1 . . . . 180 N HA . 16920 1 795 . 2 2 75 75 ASN HB2 H 1 2.933 0.002 . 2 . . . . 180 N HB2 . 16920 1 796 . 2 2 75 75 ASN HB3 H 1 3.221 0.004 . 2 . . . . 180 N HB3 . 16920 1 797 . 2 2 75 75 ASN HD21 H 1 7.827 0.000 . 2 . . . . 180 N HD21 . 16920 1 798 . 2 2 75 75 ASN HD22 H 1 7.071 0.000 . 2 . . . . 180 N HD22 . 16920 1 799 . 2 2 75 75 ASN CA C 13 56.050 0.000 . 1 . . . . 180 N CA . 16920 1 800 . 2 2 75 75 ASN CB C 13 38.898 0.035 . 1 . . . . 180 N CB . 16920 1 801 . 2 2 75 75 ASN N N 15 113.787 0.005 . 1 . . . . 180 N N . 16920 1 802 . 2 2 75 75 ASN ND2 N 15 114.109 0.003 . 1 . . . . 180 N ND2 . 16920 1 803 . 2 2 76 76 GLY H H 1 8.670 0.008 . 1 . . . . 181 G HN . 16920 1 804 . 2 2 76 76 GLY HA2 H 1 3.829 0.004 . 2 . . . . 181 G HA2 . 16920 1 805 . 2 2 76 76 GLY HA3 H 1 4.327 0.007 . 2 . . . . 181 G HA3 . 16920 1 806 . 2 2 76 76 GLY CA C 13 45.727 0.015 . 1 . . . . 181 G CA . 16920 1 807 . 2 2 76 76 GLY N N 15 116.792 0.003 . 1 . . . . 181 G N . 16920 1 808 . 2 2 77 77 MET H H 1 7.847 0.006 . 1 . . . . 182 M HN . 16920 1 809 . 2 2 77 77 MET HA H 1 4.322 0.011 . 1 . . . . 182 M HA . 16920 1 810 . 2 2 77 77 MET HB2 H 1 1.983 0.005 . 2 . . . . 182 M HB2 . 16920 1 811 . 2 2 77 77 MET HB3 H 1 2.284 0.017 . 2 . . . . 182 M HB3 . 16920 1 812 . 2 2 77 77 MET HE1 H 1 2.059 0.001 . 2 . . . . 182 M QE . 16920 1 813 . 2 2 77 77 MET HE2 H 1 2.059 0.001 . 2 . . . . 182 M QE . 16920 1 814 . 2 2 77 77 MET HE3 H 1 2.059 0.001 . 2 . . . . 182 M QE . 16920 1 815 . 2 2 77 77 MET HG2 H 1 2.336 0.005 . 2 . . . . 182 M HG2 . 16920 1 816 . 2 2 77 77 MET HG3 H 1 2.777 0.005 . 2 . . . . 182 M HG3 . 16920 1 817 . 2 2 77 77 MET CA C 13 56.166 0.020 . 1 . . . . 182 M CA . 16920 1 818 . 2 2 77 77 MET CB C 13 33.258 0.032 . 1 . . . . 182 M CB . 16920 1 819 . 2 2 77 77 MET CE C 13 16.796 0.000 . 1 . . . . 182 M CE . 16920 1 820 . 2 2 77 77 MET CG C 13 31.457 0.040 . 1 . . . . 182 M CG . 16920 1 821 . 2 2 77 77 MET N N 15 120.549 0.022 . 1 . . . . 182 M N . 16920 1 822 . 2 2 78 78 GLU H H 1 8.392 0.006 . 1 . . . . 183 E HN . 16920 1 823 . 2 2 78 78 GLU HA H 1 4.952 0.005 . 1 . . . . 183 E HA . 16920 1 824 . 2 2 78 78 GLU HB2 H 1 1.842 0.004 . 2 . . . . 183 E HB2 . 16920 1 825 . 2 2 78 78 GLU HB3 H 1 1.989 0.002 . 2 . . . . 183 E HB3 . 16920 1 826 . 2 2 78 78 GLU HG2 H 1 1.993 0.003 . 2 . . . . 183 E HG2 . 16920 1 827 . 2 2 78 78 GLU HG3 H 1 2.081 0.010 . 2 . . . . 183 E HG3 . 16920 1 828 . 2 2 78 78 GLU CA C 13 55.449 0.054 . 1 . . . . 183 E CA . 16920 1 829 . 2 2 78 78 GLU CB C 13 30.533 0.039 . 1 . . . . 183 E CB . 16920 1 830 . 2 2 78 78 GLU CG C 13 36.914 0.032 . 1 . . . . 183 E CG . 16920 1 831 . 2 2 78 78 GLU N N 15 122.257 0.031 . 1 . . . . 183 E N . 16920 1 832 . 2 2 79 79 LEU H H 1 9.233 0.003 . 1 . . . . 184 L HN . 16920 1 833 . 2 2 79 79 LEU HA H 1 4.631 0.005 . 1 . . . . 184 L HA . 16920 1 834 . 2 2 79 79 LEU HB2 H 1 1.276 0.003 . 2 . . . . 184 L HB2 . 16920 1 835 . 2 2 79 79 LEU HB3 H 1 1.829 0.018 . 2 . . . . 184 L HB3 . 16920 1 836 . 2 2 79 79 LEU HD11 H 1 0.848 0.028 . 2 . . . . 184 L QD1 . 16920 1 837 . 2 2 79 79 LEU HD12 H 1 0.848 0.028 . 2 . . . . 184 L QD1 . 16920 1 838 . 2 2 79 79 LEU HD13 H 1 0.848 0.028 . 2 . . . . 184 L QD1 . 16920 1 839 . 2 2 79 79 LEU HD21 H 1 0.920 0.009 . 2 . . . . 184 L QD2 . 16920 1 840 . 2 2 79 79 LEU HD22 H 1 0.920 0.009 . 2 . . . . 184 L QD2 . 16920 1 841 . 2 2 79 79 LEU HD23 H 1 0.920 0.009 . 2 . . . . 184 L QD2 . 16920 1 842 . 2 2 79 79 LEU HG H 1 1.518 0.004 . 1 . . . . 184 L HG . 16920 1 843 . 2 2 79 79 LEU CA C 13 54.600 0.000 . 1 . . . . 184 L CA . 16920 1 844 . 2 2 79 79 LEU CB C 13 44.929 0.019 . 1 . . . . 184 L CB . 16920 1 845 . 2 2 79 79 LEU CD1 C 13 26.136 0.019 . 2 . . . . 184 L CD1 . 16920 1 846 . 2 2 79 79 LEU CD2 C 13 24.471 0.003 . 2 . . . . 184 L CD2 . 16920 1 847 . 2 2 79 79 LEU CG C 13 27.643 0.021 . 1 . . . . 184 L CG . 16920 1 848 . 2 2 79 79 LEU N N 15 128.099 0.015 . 1 . . . . 184 L N . 16920 1 849 . 2 2 80 80 ASP H H 1 9.658 0.002 . 1 . . . . 185 D HN . 16920 1 850 . 2 2 80 80 ASP HA H 1 4.391 0.001 . 1 . . . . 185 D HA . 16920 1 851 . 2 2 80 80 ASP HB2 H 1 3.087 0.004 . 2 . . . . 185 D HB2 . 16920 1 852 . 2 2 80 80 ASP HB3 H 1 2.483 0.006 . 2 . . . . 185 D HB3 . 16920 1 853 . 2 2 80 80 ASP CA C 13 55.681 0.053 . 1 . . . . 185 D CA . 16920 1 854 . 2 2 80 80 ASP CB C 13 40.036 0.008 . 1 . . . . 185 D CB . 16920 1 855 . 2 2 80 80 ASP N N 15 129.390 0.009 . 1 . . . . 185 D N . 16920 1 856 . 2 2 81 81 GLY H H 1 8.698 0.009 . 1 . . . . 186 G HN . 16920 1 857 . 2 2 81 81 GLY HA2 H 1 3.754 0.004 . 2 . . . . 186 G HA2 . 16920 1 858 . 2 2 81 81 GLY HA3 H 1 4.185 0.002 . 2 . . . . 186 G HA3 . 16920 1 859 . 2 2 81 81 GLY CA C 13 45.608 0.020 . 1 . . . . 186 G CA . 16920 1 860 . 2 2 81 81 GLY N N 15 102.313 0.000 . 1 . . . . 186 G N . 16920 1 861 . 2 2 82 82 ARG H H 1 7.626 0.009 . 1 . . . . 187 R HN . 16920 1 862 . 2 2 82 82 ARG HB2 H 1 1.828 0.007 . 2 . . . . 187 R HB2 . 16920 1 863 . 2 2 82 82 ARG HB3 H 1 2.087 0.028 . 2 . . . . 187 R HB3 . 16920 1 864 . 2 2 82 82 ARG HD2 H 1 3.270 0.013 . 2 . . . . 187 R QD . 16920 1 865 . 2 2 82 82 ARG HD3 H 1 3.270 0.013 . 2 . . . . 187 R QD . 16920 1 866 . 2 2 82 82 ARG HE H 1 7.620 0.000 . 1 . . . . 187 R HE . 16920 1 867 . 2 2 82 82 ARG HG2 H 1 1.649 0.002 . 2 . . . . 187 R QG . 16920 1 868 . 2 2 82 82 ARG HG3 H 1 1.649 0.002 . 2 . . . . 187 R QG . 16920 1 869 . 2 2 82 82 ARG CB C 13 32.570 0.030 . 1 . . . . 187 R CB . 16920 1 870 . 2 2 82 82 ARG CD C 13 43.100 0.000 . 1 . . . . 187 R CD . 16920 1 871 . 2 2 82 82 ARG CG C 13 26.330 0.000 . 1 . . . . 187 R CG . 16920 1 872 . 2 2 82 82 ARG N N 15 119.575 0.003 . 1 . . . . 187 R N . 16920 1 873 . 2 2 82 82 ARG NE N 15 118.932 0.000 . 1 . . . . 187 R NE . 16920 1 874 . 2 2 83 83 ARG H H 1 8.492 0.006 . 1 . . . . 188 R HN . 16920 1 875 . 2 2 83 83 ARG HA H 1 4.396 0.003 . 1 . . . . 188 R HA . 16920 1 876 . 2 2 83 83 ARG HB2 H 1 1.648 0.019 . 2 . . . . 188 R HB2 . 16920 1 877 . 2 2 83 83 ARG HB3 H 1 1.840 0.009 . 2 . . . . 188 R HB3 . 16920 1 878 . 2 2 83 83 ARG HD2 H 1 3.277 0.009 . 2 . . . . 188 R QD . 16920 1 879 . 2 2 83 83 ARG HD3 H 1 3.277 0.009 . 2 . . . . 188 R QD . 16920 1 880 . 2 2 83 83 ARG HG2 H 1 2.110 0.008 . 2 . . . . 188 R QG . 16920 1 881 . 2 2 83 83 ARG HG3 H 1 2.110 0.008 . 2 . . . . 188 R QG . 16920 1 882 . 2 2 83 83 ARG CA C 13 56.367 0.000 . 1 . . . . 188 R CA . 16920 1 883 . 2 2 83 83 ARG CB C 13 29.287 0.000 . 1 . . . . 188 R CB . 16920 1 884 . 2 2 83 83 ARG CD C 13 42.703 0.000 . 1 . . . . 188 R CD . 16920 1 885 . 2 2 83 83 ARG CG C 13 32.400 0.000 . 1 . . . . 188 R CG . 16920 1 886 . 2 2 83 83 ARG N N 15 121.174 0.006 . 1 . . . . 188 R N . 16920 1 887 . 2 2 84 84 ILE H H 1 8.535 0.007 . 1 . . . . 189 I HN . 16920 1 888 . 2 2 84 84 ILE HA H 1 4.577 0.010 . 1 . . . . 189 I HA . 16920 1 889 . 2 2 84 84 ILE HB H 1 1.940 0.002 . 1 . . . . 189 I HB . 16920 1 890 . 2 2 84 84 ILE HD11 H 1 0.793 0.001 . 2 . . . . 189 I QD1 . 16920 1 891 . 2 2 84 84 ILE HD12 H 1 0.793 0.001 . 2 . . . . 189 I QD1 . 16920 1 892 . 2 2 84 84 ILE HD13 H 1 0.793 0.001 . 2 . . . . 189 I QD1 . 16920 1 893 . 2 2 84 84 ILE HG12 H 1 1.430 0.009 . 2 . . . . 189 I HG12 . 16920 1 894 . 2 2 84 84 ILE HG13 H 1 1.542 0.008 . 2 . . . . 189 I HG13 . 16920 1 895 . 2 2 84 84 ILE HG21 H 1 0.915 0.013 . 2 . . . . 189 I QG2 . 16920 1 896 . 2 2 84 84 ILE HG22 H 1 0.915 0.013 . 2 . . . . 189 I QG2 . 16920 1 897 . 2 2 84 84 ILE HG23 H 1 0.915 0.013 . 2 . . . . 189 I QG2 . 16920 1 898 . 2 2 84 84 ILE CA C 13 61.440 0.000 . 1 . . . . 189 I CA . 16920 1 899 . 2 2 84 84 ILE CB C 13 39.070 0.000 . 1 . . . . 189 I CB . 16920 1 900 . 2 2 84 84 ILE CD1 C 13 13.727 0.018 . 1 . . . . 189 I CD1 . 16920 1 901 . 2 2 84 84 ILE CG1 C 13 25.332 0.026 . 1 . . . . 189 I CG1 . 16920 1 902 . 2 2 84 84 ILE CG2 C 13 18.638 0.007 . 1 . . . . 189 I CG2 . 16920 1 903 . 2 2 84 84 ILE N N 15 122.958 0.017 . 1 . . . . 189 I N . 16920 1 904 . 2 2 85 85 ARG H H 1 8.478 0.023 . 1 . . . . 190 R HN . 16920 1 905 . 2 2 85 85 ARG HA H 1 5.175 0.007 . 1 . . . . 190 R HA . 16920 1 906 . 2 2 85 85 ARG HB2 H 1 1.654 0.038 . 2 . . . . 190 R HB2 . 16920 1 907 . 2 2 85 85 ARG HB3 H 1 1.852 0.010 . 2 . . . . 190 R HB3 . 16920 1 908 . 2 2 85 85 ARG HD2 H 1 3.335 0.006 . 2 . . . . 190 R HD2 . 16920 1 909 . 2 2 85 85 ARG HD3 H 1 3.541 0.017 . 2 . . . . 190 R HD3 . 16920 1 910 . 2 2 85 85 ARG HE H 1 7.071 0.000 . 1 . . . . 190 R HE . 16920 1 911 . 2 2 85 85 ARG HG2 H 1 1.615 0.012 . 2 . . . . 190 R HG2 . 16920 1 912 . 2 2 85 85 ARG HG3 H 1 1.741 0.016 . 2 . . . . 190 R HG3 . 16920 1 913 . 2 2 85 85 ARG CA C 13 54.753 0.007 . 1 . . . . 190 R CA . 16920 1 914 . 2 2 85 85 ARG CB C 13 32.825 0.180 . 1 . . . . 190 R CB . 16920 1 915 . 2 2 85 85 ARG CD C 13 42.427 0.000 . 1 . . . . 190 R CD . 16920 1 916 . 2 2 85 85 ARG CG C 13 27.248 0.065 . 1 . . . . 190 R CG . 16920 1 917 . 2 2 85 85 ARG N N 15 120.666 0.034 . 1 . . . . 190 R N . 16920 1 918 . 2 2 85 85 ARG NE N 15 118.200 0.000 . 1 . . . . 190 R NE . 16920 1 919 . 2 2 86 86 VAL H H 1 8.469 0.012 . 1 . . . . 191 V HN . 16920 1 920 . 2 2 86 86 VAL HA H 1 5.261 0.010 . 1 . . . . 191 V HA . 16920 1 921 . 2 2 86 86 VAL HB H 1 1.881 0.005 . 1 . . . . 191 V HB . 16920 1 922 . 2 2 86 86 VAL HG11 H 1 0.987 0.016 . 2 . . . . 191 V QG1 . 16920 1 923 . 2 2 86 86 VAL HG12 H 1 0.987 0.016 . 2 . . . . 191 V QG1 . 16920 1 924 . 2 2 86 86 VAL HG13 H 1 0.987 0.016 . 2 . . . . 191 V QG1 . 16920 1 925 . 2 2 86 86 VAL HG21 H 1 0.991 0.021 . 2 . . . . 191 V QG2 . 16920 1 926 . 2 2 86 86 VAL HG22 H 1 0.991 0.021 . 2 . . . . 191 V QG2 . 16920 1 927 . 2 2 86 86 VAL HG23 H 1 0.991 0.021 . 2 . . . . 191 V QG2 . 16920 1 928 . 2 2 86 86 VAL CA C 13 59.807 0.092 . 1 . . . . 191 V CA . 16920 1 929 . 2 2 86 86 VAL CB C 13 34.983 0.044 . 1 . . . . 191 V CB . 16920 1 930 . 2 2 86 86 VAL CG1 C 13 20.983 0.000 . 2 . . . . 191 V CG1 . 16920 1 931 . 2 2 86 86 VAL CG2 C 13 22.118 0.057 . 2 . . . . 191 V CG2 . 16920 1 932 . 2 2 86 86 VAL N N 15 120.526 0.052 . 1 . . . . 191 V N . 16920 1 933 . 2 2 87 87 ASP H H 1 9.187 0.003 . 1 . . . . 192 D HN . 16920 1 934 . 2 2 87 87 ASP HA H 1 4.784 0.009 . 1 . . . . 192 D HA . 16920 1 935 . 2 2 87 87 ASP HB2 H 1 2.634 0.003 . 2 . . . . 192 D HB2 . 16920 1 936 . 2 2 87 87 ASP HB3 H 1 2.800 0.002 . 2 . . . . 192 D HB3 . 16920 1 937 . 2 2 87 87 ASP CA C 13 51.702 0.000 . 1 . . . . 192 D CA . 16920 1 938 . 2 2 87 87 ASP CB C 13 45.371 0.017 . 1 . . . . 192 D CB . 16920 1 939 . 2 2 87 87 ASP N N 15 125.547 0.014 . 1 . . . . 192 D N . 16920 1 940 . 2 2 88 88 PHE H H 1 9.019 0.005 . 1 . . . . 193 F HN . 16920 1 941 . 2 2 88 88 PHE HA H 1 4.784 0.030 . 1 . . . . 193 F HA . 16920 1 942 . 2 2 88 88 PHE HB2 H 1 2.693 0.022 . 2 . . . . 193 F HB2 . 16920 1 943 . 2 2 88 88 PHE HB3 H 1 3.341 0.016 . 2 . . . . 193 F HB3 . 16920 1 944 . 2 2 88 88 PHE HD1 H 1 7.510 0.006 . 3 . . . . 193 F QD . 16920 1 945 . 2 2 88 88 PHE HD2 H 1 7.510 0.006 . 3 . . . . 193 F QD . 16920 1 946 . 2 2 88 88 PHE HE1 H 1 7.463 0.004 . 3 . . . . 193 F QE . 16920 1 947 . 2 2 88 88 PHE HE2 H 1 7.463 0.004 . 3 . . . . 193 F QE . 16920 1 948 . 2 2 88 88 PHE CA C 13 59.782 0.000 . 1 . . . . 193 F CA . 16920 1 949 . 2 2 88 88 PHE CB C 13 40.090 0.028 . 1 . . . . 193 F CB . 16920 1 950 . 2 2 88 88 PHE CD1 C 13 132.189 0.041 . 3 . . . . 193 F CD1 . 16920 1 951 . 2 2 88 88 PHE CE1 C 13 132.050 0.050 . 3 . . . . 193 F CE1 . 16920 1 952 . 2 2 88 88 PHE N N 15 119.650 0.025 . 1 . . . . 193 F N . 16920 1 953 . 2 2 89 89 SER H H 1 8.984 0.004 . 1 . . . . 194 S HN . 16920 1 954 . 2 2 89 89 SER HA H 1 5.758 0.017 . 1 . . . . 194 S HA . 16920 1 955 . 2 2 89 89 SER HB2 H 1 4.037 0.012 . 2 . . . . 194 S QB . 16920 1 956 . 2 2 89 89 SER HB3 H 1 4.037 0.012 . 2 . . . . 194 S QB . 16920 1 957 . 2 2 89 89 SER CA C 13 57.154 0.049 . 1 . . . . 194 S CA . 16920 1 958 . 2 2 89 89 SER CB C 13 64.780 0.000 . 1 . . . . 194 S CB . 16920 1 959 . 2 2 89 89 SER N N 15 113.909 0.032 . 1 . . . . 194 S N . 16920 1 960 . 2 2 90 90 ILE H H 1 9.864 0.006 . 1 . . . . 195 I HN . 16920 1 961 . 2 2 90 90 ILE HA H 1 4.546 0.005 . 1 . . . . 195 I HA . 16920 1 962 . 2 2 90 90 ILE HB H 1 1.934 0.007 . 1 . . . . 195 I HB . 16920 1 963 . 2 2 90 90 ILE HD11 H 1 0.452 0.019 . 2 . . . . 195 I QD1 . 16920 1 964 . 2 2 90 90 ILE HD12 H 1 0.452 0.019 . 2 . . . . 195 I QD1 . 16920 1 965 . 2 2 90 90 ILE HD13 H 1 0.452 0.019 . 2 . . . . 195 I QD1 . 16920 1 966 . 2 2 90 90 ILE HG12 H 1 0.231 0.008 . 2 . . . . 195 I HG12 . 16920 1 967 . 2 2 90 90 ILE HG13 H 1 1.093 0.005 . 2 . . . . 195 I HG13 . 16920 1 968 . 2 2 90 90 ILE HG21 H 1 0.900 0.009 . 2 . . . . 195 I QG2 . 16920 1 969 . 2 2 90 90 ILE HG22 H 1 0.900 0.009 . 2 . . . . 195 I QG2 . 16920 1 970 . 2 2 90 90 ILE HG23 H 1 0.900 0.009 . 2 . . . . 195 I QG2 . 16920 1 971 . 2 2 90 90 ILE CA C 13 61.858 0.000 . 1 . . . . 195 I CA . 16920 1 972 . 2 2 90 90 ILE CB C 13 38.431 0.025 . 1 . . . . 195 I CB . 16920 1 973 . 2 2 90 90 ILE CD1 C 13 13.977 0.000 . 1 . . . . 195 I CD1 . 16920 1 974 . 2 2 90 90 ILE CG1 C 13 26.413 0.041 . 1 . . . . 195 I CG1 . 16920 1 975 . 2 2 90 90 ILE CG2 C 13 18.500 0.000 . 1 . . . . 195 I CG2 . 16920 1 976 . 2 2 90 90 ILE N N 15 123.300 0.000 . 1 . . . . 195 I N . 16920 1 977 . 2 2 91 91 THR H H 1 8.568 0.003 . 1 . . . . 196 T HN . 16920 1 978 . 2 2 91 91 THR HA H 1 4.741 0.011 . 1 . . . . 196 T HA . 16920 1 979 . 2 2 91 91 THR HB H 1 4.391 0.006 . 1 . . . . 196 T HB . 16920 1 980 . 2 2 91 91 THR HG21 H 1 1.281 0.014 . 2 . . . . 196 T QG2 . 16920 1 981 . 2 2 91 91 THR HG22 H 1 1.281 0.014 . 2 . . . . 196 T QG2 . 16920 1 982 . 2 2 91 91 THR HG23 H 1 1.281 0.014 . 2 . . . . 196 T QG2 . 16920 1 983 . 2 2 91 91 THR CB C 13 71.005 0.043 . 1 . . . . 196 T CB . 16920 1 984 . 2 2 91 91 THR CG2 C 13 23.853 0.000 . 1 . . . . 196 T CG2 . 16920 1 985 . 2 2 91 91 THR N N 15 113.889 0.037 . 1 . . . . 196 T N . 16920 1 986 . 2 2 92 92 LYS H H 1 8.597 0.005 . 1 . . . . 197 K HN . 16920 1 987 . 2 2 92 92 LYS HA H 1 4.561 0.008 . 1 . . . . 197 K HA . 16920 1 988 . 2 2 92 92 LYS HB2 H 1 1.780 0.006 . 2 . . . . 197 K HB2 . 16920 1 989 . 2 2 92 92 LYS HB3 H 1 1.974 0.004 . 2 . . . . 197 K HB3 . 16920 1 990 . 2 2 92 92 LYS HE2 H 1 3.032 0.022 . 2 . . . . 197 K QE . 16920 1 991 . 2 2 92 92 LYS HE3 H 1 3.032 0.022 . 2 . . . . 197 K QE . 16920 1 992 . 2 2 92 92 LYS HG2 H 1 1.489 0.003 . 2 . . . . 197 K QG . 16920 1 993 . 2 2 92 92 LYS HG3 H 1 1.489 0.003 . 2 . . . . 197 K QG . 16920 1 994 . 2 2 92 92 LYS CA C 13 55.670 0.000 . 1 . . . . 197 K CA . 16920 1 995 . 2 2 92 92 LYS CB C 13 34.187 0.035 . 1 . . . . 197 K CB . 16920 1 996 . 2 2 92 92 LYS CE C 13 42.190 0.000 . 1 . . . . 197 K CE . 16920 1 997 . 2 2 92 92 LYS CG C 13 24.900 0.063 . 1 . . . . 197 K CG . 16920 1 998 . 2 2 92 92 LYS N N 15 122.247 0.032 . 1 . . . . 197 K N . 16920 1 999 . 2 2 93 93 ARG HA H 1 4.509 0.010 . 1 . . . . 198 R HA . 16920 1 1000 . 2 2 93 93 ARG HB2 H 1 1.599 0.006 . 2 . . . . 198 R HB2 . 16920 1 1001 . 2 2 93 93 ARG HB3 H 1 1.762 0.005 . 2 . . . . 198 R HB3 . 16920 1 1002 . 2 2 93 93 ARG HD2 H 1 3.050 0.012 . 2 . . . . 198 R QD . 16920 1 1003 . 2 2 93 93 ARG HD3 H 1 3.050 0.012 . 2 . . . . 198 R QD . 16920 1 1004 . 2 2 93 93 ARG HG2 H 1 1.451 0.013 . 2 . . . . 198 R QG . 16920 1 1005 . 2 2 93 93 ARG HG3 H 1 1.451 0.013 . 2 . . . . 198 R QG . 16920 1 1006 . 2 2 93 93 ARG CA C 13 53.681 0.007 . 1 . . . . 198 R CA . 16920 1 1007 . 2 2 93 93 ARG CB C 13 30.548 0.038 . 1 . . . . 198 R CB . 16920 1 1008 . 2 2 93 93 ARG CD C 13 42.235 0.000 . 1 . . . . 198 R CD . 16920 1 1009 . 2 2 93 93 ARG CG C 13 25.834 0.010 . 1 . . . . 198 R CG . 16920 1 1010 . 2 2 94 94 PRO HA H 1 3.971 0.021 . 1 . . . . 199 P HA . 16920 1 1011 . 2 2 94 94 PRO HB2 H 1 1.768 0.000 . 2 . . . . 199 P HB2 . 16920 1 1012 . 2 2 94 94 PRO HB3 H 1 2.122 0.004 . 2 . . . . 199 P HB3 . 16920 1 1013 . 2 2 94 94 PRO HD2 H 1 3.424 0.006 . 2 . . . . 199 P QD . 16920 1 1014 . 2 2 94 94 PRO HD3 H 1 3.424 0.006 . 2 . . . . 199 P QD . 16920 1 1015 . 2 2 94 94 PRO HG2 H 1 1.771 0.003 . 2 . . . . 199 P HG2 . 16920 1 1016 . 2 2 94 94 PRO HG3 H 1 1.854 0.002 . 2 . . . . 199 P HG3 . 16920 1 1017 . 2 2 94 94 PRO CA C 13 62.754 0.000 . 1 . . . . 199 P CA . 16920 1 1018 . 2 2 94 94 PRO CB C 13 31.726 0.012 . 1 . . . . 199 P CB . 16920 1 1019 . 2 2 94 94 PRO CD C 13 50.160 0.047 . 1 . . . . 199 P CD . 16920 1 1020 . 2 2 94 94 PRO CG C 13 27.058 0.002 . 1 . . . . 199 P CG . 16920 1 1021 . 2 2 95 95 HIS HB2 H 1 3.250 0.016 . 2 . . . . 200 H QB . 16920 1 1022 . 2 2 95 95 HIS HB3 H 1 3.250 0.016 . 2 . . . . 200 H QB . 16920 1 1023 . 2 2 95 95 HIS HD2 H 1 7.182 0.004 . 1 . . . . 200 H HD2 . 16920 1 1024 . 2 2 95 95 HIS CB C 13 29.070 0.000 . 1 . . . . 200 H CB . 16920 1 1025 . 2 2 95 95 HIS CD2 C 13 120.000 0.000 . 1 . . . . 200 H CD2 . 16920 1 stop_ save_