################################### # 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 19473 _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 1 '2D 1H-15N HSQC' . . . 19473 1 2 '2D 1H-13C HSQC' . . . 19473 1 3 '2D 1H-1H TOCSY' . . . 19473 1 4 '2D 1H-1H TOCSY' . . . 19473 1 5 '2D 1H-1H NOESY' . . . 19473 1 6 '2D 1H-1H NOESY' . . . 19473 1 7 '3D CBCA(CO)NH' . . . 19473 1 8 '3D C(CO)NH' . . . 19473 1 9 '3D HNCO' . . . 19473 1 10 '3D HNCA' . . . 19473 1 11 '3D HNCACB' . . . 19473 1 12 '3D H(CCO)NH' . . . 19473 1 13 '3D HCCH-TOCSY' . . . 19473 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 GLY HA3 H 1 4.366 0.002 . 1 . . . . 1 Gly HA3 . 19473 1 2 . 1 1 1 1 GLY C C 13 175.865 0.000 . 1 . . . . 1 Gly C . 19473 1 3 . 1 1 1 1 GLY CA C 13 56.247 0.064 . 1 . . . . 1 Gly CA . 19473 1 4 . 1 1 2 2 ALA H H 1 8.412 0.002 . 1 . . . . 2 Ala H . 19473 1 5 . 1 1 2 2 ALA HA H 1 4.369 0.012 . 1 . . . . 2 Ala HA . 19473 1 6 . 1 1 2 2 ALA HB1 H 1 1.461 0.008 . 1 . . . . 2 Ala HB1 . 19473 1 7 . 1 1 2 2 ALA HB2 H 1 1.461 0.008 . 1 . . . . 2 Ala HB2 . 19473 1 8 . 1 1 2 2 ALA HB3 H 1 1.461 0.008 . 1 . . . . 2 Ala HB3 . 19473 1 9 . 1 1 2 2 ALA C C 13 177.984 0.000 . 1 . . . . 2 Ala C . 19473 1 10 . 1 1 2 2 ALA CA C 13 52.532 0.056 . 1 . . . . 2 Ala CA . 19473 1 11 . 1 1 2 2 ALA CB C 13 19.489 0.034 . 1 . . . . 2 Ala CB . 19473 1 12 . 1 1 2 2 ALA N N 15 126.848 0.032 . 1 . . . . 2 Ala N . 19473 1 13 . 1 1 3 3 MET H H 1 8.580 0.002 . 1 . . . . 3 Met H . 19473 1 14 . 1 1 3 3 MET HA H 1 4.532 0.012 . 1 . . . . 3 Met HA . 19473 1 15 . 1 1 3 3 MET HB2 H 1 2.103 0.034 . 2 . . . . 3 Met HB2 . 19473 1 16 . 1 1 3 3 MET HB3 H 1 2.091 0.024 . 2 . . . . 3 Met HB3 . 19473 1 17 . 1 1 3 3 MET HG2 H 1 2.651 0.022 . 2 . . . . 3 Met HG2 . 19473 1 18 . 1 1 3 3 MET HG3 H 1 2.605 0.012 . 2 . . . . 3 Met HG3 . 19473 1 19 . 1 1 3 3 MET C C 13 176.901 0.000 . 1 . . . . 3 Met C . 19473 1 20 . 1 1 3 3 MET CA C 13 55.644 0.033 . 1 . . . . 3 Met CA . 19473 1 21 . 1 1 3 3 MET CB C 13 32.952 0.057 . 1 . . . . 3 Met CB . 19473 1 22 . 1 1 3 3 MET N N 15 120.481 0.098 . 1 . . . . 3 Met N . 19473 1 23 . 1 1 4 4 GLY H H 1 8.559 0.004 . 1 . . . . 4 Gly H . 19473 1 24 . 1 1 4 4 GLY HA2 H 1 3.994 0.011 . 2 . . . . 4 Gly HA2 . 19473 1 25 . 1 1 4 4 GLY HA3 H 1 3.985 0.005 . 2 . . . . 4 Gly HA3 . 19473 1 26 . 1 1 4 4 GLY C C 13 174.026 0.000 . 1 . . . . 4 Gly C . 19473 1 27 . 1 1 4 4 GLY CA C 13 45.304 0.014 . 1 . . . . 4 Gly CA . 19473 1 28 . 1 1 4 4 GLY N N 15 110.838 0.022 . 1 . . . . 4 Gly N . 19473 1 29 . 1 1 5 5 MET H H 1 8.277 0.003 . 1 . . . . 5 Met H . 19473 1 30 . 1 1 5 5 MET HA H 1 4.545 0.005 . 1 . . . . 5 Met HA . 19473 1 31 . 1 1 5 5 MET HB2 H 1 2.079 0.010 . 2 . . . . 5 Met HB2 . 19473 1 32 . 1 1 5 5 MET HB3 H 1 2.130 0.012 . 2 . . . . 5 Met HB3 . 19473 1 33 . 1 1 5 5 MET HG2 H 1 2.655 0.015 . 2 . . . . 5 Met HG2 . 19473 1 34 . 1 1 5 5 MET HG3 H 1 2.611 0.011 . 2 . . . . 5 Met HG3 . 19473 1 35 . 1 1 5 5 MET C C 13 176.221 0.000 . 1 . . . . 5 Met C . 19473 1 36 . 1 1 5 5 MET CA C 13 55.410 0.015 . 1 . . . . 5 Met CA . 19473 1 37 . 1 1 5 5 MET CB C 13 32.973 0.019 . 1 . . . . 5 Met CB . 19473 1 38 . 1 1 5 5 MET N N 15 120.597 0.021 . 1 . . . . 5 Met N . 19473 1 39 . 1 1 6 6 ARG H H 1 8.488 0.004 . 1 . . . . 6 Arg H . 19473 1 40 . 1 1 6 6 ARG HA H 1 4.439 0.008 . 1 . . . . 6 Arg HA . 19473 1 41 . 1 1 6 6 ARG HB2 H 1 1.846 0.006 . 2 . . . . 6 Arg HB2 . 19473 1 42 . 1 1 6 6 ARG HB3 H 1 1.847 0.007 . 2 . . . . 6 Arg HB3 . 19473 1 43 . 1 1 6 6 ARG HG2 H 1 1.724 0.012 . 2 . . . . 6 Arg HG2 . 19473 1 44 . 1 1 6 6 ARG HG3 H 1 1.719 0.014 . 2 . . . . 6 Arg HG3 . 19473 1 45 . 1 1 6 6 ARG HD2 H 1 3.266 0.007 . 2 . . . . 6 Arg HD2 . 19473 1 46 . 1 1 6 6 ARG HD3 H 1 3.267 0.007 . 2 . . . . 6 Arg HD3 . 19473 1 47 . 1 1 6 6 ARG C C 13 175.812 0.000 . 1 . . . . 6 Arg C . 19473 1 48 . 1 1 6 6 ARG CA C 13 56.321 0.048 . 1 . . . . 6 Arg CA . 19473 1 49 . 1 1 6 6 ARG CB C 13 31.036 0.030 . 1 . . . . 6 Arg CB . 19473 1 50 . 1 1 6 6 ARG N N 15 122.923 0.079 . 1 . . . . 6 Arg N . 19473 1 51 . 1 1 7 7 ASN H H 1 8.655 0.005 . 1 . . . . 7 Asn H . 19473 1 52 . 1 1 7 7 ASN HA H 1 4.806 0.013 . 1 . . . . 7 Asn HA . 19473 1 53 . 1 1 7 7 ASN HB2 H 1 2.726 0.011 . 2 . . . . 7 Asn HB2 . 19473 1 54 . 1 1 7 7 ASN HB3 H 1 2.906 0.006 . 2 . . . . 7 Asn HB3 . 19473 1 55 . 1 1 7 7 ASN HD21 H 1 7.030 0.004 . 1 . . . . 7 Asn HD21 . 19473 1 56 . 1 1 7 7 ASN HD22 H 1 7.644 0.001 . 1 . . . . 7 Asn HD22 . 19473 1 57 . 1 1 7 7 ASN C C 13 175.326 0.000 . 1 . . . . 7 Asn C . 19473 1 58 . 1 1 7 7 ASN CA C 13 52.922 0.033 . 1 . . . . 7 Asn CA . 19473 1 59 . 1 1 7 7 ASN CB C 13 38.658 0.031 . 1 . . . . 7 Asn CB . 19473 1 60 . 1 1 7 7 ASN N N 15 121.334 0.080 . 1 . . . . 7 Asn N . 19473 1 61 . 1 1 8 8 LEU H H 1 8.424 0.003 . 1 . . . . 8 Leu H . 19473 1 62 . 1 1 8 8 LEU HA H 1 4.179 0.010 . 1 . . . . 8 Leu HA . 19473 1 63 . 1 1 8 8 LEU HB2 H 1 1.649 0.017 . 2 . . . . 8 Leu HB2 . 19473 1 64 . 1 1 8 8 LEU HB3 H 1 1.610 0.027 . 2 . . . . 8 Leu HB3 . 19473 1 65 . 1 1 8 8 LEU HG H 1 1.617 0.013 . 1 . . . . 8 Leu HG . 19473 1 66 . 1 1 8 8 LEU HD11 H 1 0.834 0.013 . 2 . . . . 8 Leu HD11 . 19473 1 67 . 1 1 8 8 LEU HD12 H 1 0.834 0.013 . 2 . . . . 8 Leu HD12 . 19473 1 68 . 1 1 8 8 LEU HD13 H 1 0.834 0.013 . 2 . . . . 8 Leu HD13 . 19473 1 69 . 1 1 8 8 LEU HD21 H 1 0.914 0.009 . 2 . . . . 8 Leu HD21 . 19473 1 70 . 1 1 8 8 LEU HD22 H 1 0.914 0.009 . 2 . . . . 8 Leu HD22 . 19473 1 71 . 1 1 8 8 LEU HD23 H 1 0.914 0.009 . 2 . . . . 8 Leu HD23 . 19473 1 72 . 1 1 8 8 LEU CA C 13 56.236 0.018 . 1 . . . . 8 Leu CA . 19473 1 73 . 1 1 8 8 LEU CB C 13 41.820 0.029 . 1 . . . . 8 Leu CB . 19473 1 74 . 1 1 8 8 LEU N N 15 123.548 0.057 . 1 . . . . 8 Leu N . 19473 1 75 . 1 1 9 9 ASP H H 1 8.299 0.002 . 1 . . . . 9 Asp H . 19473 1 76 . 1 1 9 9 ASP HA H 1 4.505 0.007 . 1 . . . . 9 Asp HA . 19473 1 77 . 1 1 9 9 ASP HB2 H 1 2.685 0.010 . 2 . . . . 9 Asp HB2 . 19473 1 78 . 1 1 9 9 ASP HB3 H 1 2.694 0.011 . 2 . . . . 9 Asp HB3 . 19473 1 79 . 1 1 9 9 ASP C C 13 176.739 0.000 . 1 . . . . 9 Asp C . 19473 1 80 . 1 1 9 9 ASP CA C 13 55.550 0.035 . 1 . . . . 9 Asp CA . 19473 1 81 . 1 1 9 9 ASP CB C 13 40.864 0.019 . 1 . . . . 9 Asp CB . 19473 1 82 . 1 1 9 9 ASP N N 15 119.761 0.033 . 1 . . . . 9 Asp N . 19473 1 83 . 1 1 10 10 GLU H H 1 7.856 0.005 . 1 . . . . 10 Glu H . 19473 1 84 . 1 1 10 10 GLU HA H 1 4.350 0.011 . 1 . . . . 10 Glu HA . 19473 1 85 . 1 1 10 10 GLU HB2 H 1 2.161 0.016 . 2 . . . . 10 Glu HB2 . 19473 1 86 . 1 1 10 10 GLU HB3 H 1 2.148 0.011 . 2 . . . . 10 Glu HB3 . 19473 1 87 . 1 1 10 10 GLU HG2 H 1 1.904 0.004 . 2 . . . . 10 Glu HG2 . 19473 1 88 . 1 1 10 10 GLU HG3 H 1 1.902 0.006 . 2 . . . . 10 Glu HG3 . 19473 1 89 . 1 1 10 10 GLU C C 13 175.546 0.000 . 1 . . . . 10 Glu C . 19473 1 90 . 1 1 10 10 GLU CA C 13 56.141 0.021 . 1 . . . . 10 Glu CA . 19473 1 91 . 1 1 10 10 GLU CB C 13 30.733 0.019 . 1 . . . . 10 Glu CB . 19473 1 92 . 1 1 10 10 GLU N N 15 118.270 0.030 . 1 . . . . 10 Glu N . 19473 1 93 . 1 1 11 11 CYS H H 1 7.895 0.006 . 1 . . . . 11 Cys H . 19473 1 94 . 1 1 11 11 CYS HA H 1 4.616 0.004 . 1 . . . . 11 Cys HA . 19473 1 95 . 1 1 11 11 CYS HB2 H 1 3.159 0.010 . 2 . . . . 11 Cys HB2 . 19473 1 96 . 1 1 11 11 CYS HB3 H 1 2.974 0.007 . 2 . . . . 11 Cys HB3 . 19473 1 97 . 1 1 11 11 CYS C C 13 176.541 0.000 . 1 . . . . 11 Cys C . 19473 1 98 . 1 1 11 11 CYS CA C 13 58.652 0.021 . 1 . . . . 11 Cys CA . 19473 1 99 . 1 1 11 11 CYS CB C 13 29.237 0.044 . 1 . . . . 11 Cys CB . 19473 1 100 . 1 1 11 11 CYS N N 15 123.172 0.043 . 1 . . . . 11 Cys N . 19473 1 101 . 1 1 12 12 GLU H H 1 9.516 0.003 . 1 . . . . 12 Glu H . 19473 1 102 . 1 1 12 12 GLU HA H 1 3.951 0.004 . 1 . . . . 12 Glu HA . 19473 1 103 . 1 1 12 12 GLU HB2 H 1 2.132 0.014 . 2 . . . . 12 Glu HB2 . 19473 1 104 . 1 1 12 12 GLU HB3 H 1 2.121 0.013 . 2 . . . . 12 Glu HB3 . 19473 1 105 . 1 1 12 12 GLU HG2 H 1 2.383 0.011 . 2 . . . . 12 Glu HG2 . 19473 1 106 . 1 1 12 12 GLU HG3 H 1 2.420 0.015 . 2 . . . . 12 Glu HG3 . 19473 1 107 . 1 1 12 12 GLU C C 13 177.203 0.000 . 1 . . . . 12 Glu C . 19473 1 108 . 1 1 12 12 GLU CA C 13 59.486 0.039 . 1 . . . . 12 Glu CA . 19473 1 109 . 1 1 12 12 GLU CB C 13 29.641 0.021 . 1 . . . . 12 Glu CB . 19473 1 110 . 1 1 12 12 GLU N N 15 131.989 0.041 . 1 . . . . 12 Glu N . 19473 1 111 . 1 1 13 13 VAL H H 1 8.091 0.004 . 1 . . . . 13 Val H . 19473 1 112 . 1 1 13 13 VAL HA H 1 3.753 0.008 . 1 . . . . 13 Val HA . 19473 1 113 . 1 1 13 13 VAL HB H 1 1.219 0.011 . 1 . . . . 13 Val HB . 19473 1 114 . 1 1 13 13 VAL HG11 H 1 0.955 0.005 . 2 . . . . 13 Val HG11 . 19473 1 115 . 1 1 13 13 VAL HG12 H 1 0.955 0.005 . 2 . . . . 13 Val HG12 . 19473 1 116 . 1 1 13 13 VAL HG13 H 1 0.955 0.005 . 2 . . . . 13 Val HG13 . 19473 1 117 . 1 1 13 13 VAL HG21 H 1 0.401 0.003 . 2 . . . . 13 Val HG21 . 19473 1 118 . 1 1 13 13 VAL HG22 H 1 0.401 0.003 . 2 . . . . 13 Val HG22 . 19473 1 119 . 1 1 13 13 VAL HG23 H 1 0.401 0.003 . 2 . . . . 13 Val HG23 . 19473 1 120 . 1 1 13 13 VAL C C 13 180.331 0.000 . 1 . . . . 13 Val C . 19473 1 121 . 1 1 13 13 VAL CA C 13 66.055 0.014 . 1 . . . . 13 Val CA . 19473 1 122 . 1 1 13 13 VAL CB C 13 32.170 0.042 . 1 . . . . 13 Val CB . 19473 1 123 . 1 1 13 13 VAL N N 15 123.125 0.018 . 1 . . . . 13 Val N . 19473 1 124 . 1 1 14 14 CYS H H 1 9.127 0.002 . 1 . . . . 14 Cys H . 19473 1 125 . 1 1 14 14 CYS HA H 1 4.208 0.005 . 1 . . . . 14 Cys HA . 19473 1 126 . 1 1 14 14 CYS HB2 H 1 3.177 0.009 . 2 . . . . 14 Cys HB2 . 19473 1 127 . 1 1 14 14 CYS HB3 H 1 2.992 0.013 . 2 . . . . 14 Cys HB3 . 19473 1 128 . 1 1 14 14 CYS C C 13 179.874 0.000 . 1 . . . . 14 Cys C . 19473 1 129 . 1 1 14 14 CYS CA C 13 66.240 0.030 . 1 . . . . 14 Cys CA . 19473 1 130 . 1 1 14 14 CYS CB C 13 28.719 0.056 . 1 . . . . 14 Cys CB . 19473 1 131 . 1 1 14 14 CYS N N 15 125.679 0.026 . 1 . . . . 14 Cys N . 19473 1 132 . 1 1 15 15 ARG H H 1 8.074 0.004 . 1 . . . . 15 Arg H . 19473 1 133 . 1 1 15 15 ARG HA H 1 4.027 0.011 . 1 . . . . 15 Arg HA . 19473 1 134 . 1 1 15 15 ARG HB2 H 1 2.029 0.007 . 2 . . . . 15 Arg HB2 . 19473 1 135 . 1 1 15 15 ARG HB3 H 1 2.029 0.006 . 2 . . . . 15 Arg HB3 . 19473 1 136 . 1 1 15 15 ARG HG2 H 1 1.648 0.007 . 2 . . . . 15 Arg HG2 . 19473 1 137 . 1 1 15 15 ARG HG3 H 1 1.916 0.006 . 2 . . . . 15 Arg HG3 . 19473 1 138 . 1 1 15 15 ARG HD2 H 1 3.287 0.017 . 2 . . . . 15 Arg HD2 . 19473 1 139 . 1 1 15 15 ARG HD3 H 1 3.287 0.015 . 2 . . . . 15 Arg HD3 . 19473 1 140 . 1 1 15 15 ARG HE H 1 7.389 0.002 . 1 . . . . 15 Arg HE . 19473 1 141 . 1 1 15 15 ARG C C 13 177.657 0.000 . 1 . . . . 15 Arg C . 19473 1 142 . 1 1 15 15 ARG CA C 13 59.669 0.026 . 1 . . . . 15 Arg CA . 19473 1 143 . 1 1 15 15 ARG CB C 13 29.972 0.013 . 1 . . . . 15 Arg CB . 19473 1 144 . 1 1 15 15 ARG N N 15 122.006 0.073 . 1 . . . . 15 Arg N . 19473 1 145 . 1 1 15 15 ARG NE N 15 85.195 0.024 . 1 . . . . 15 Arg NE . 19473 1 146 . 1 1 16 16 ASP H H 1 7.562 0.005 . 1 . . . . 16 Asp H . 19473 1 147 . 1 1 16 16 ASP HA H 1 4.823 0.010 . 1 . . . . 16 Asp HA . 19473 1 148 . 1 1 16 16 ASP HB2 H 1 2.740 0.006 . 2 . . . . 16 Asp HB2 . 19473 1 149 . 1 1 16 16 ASP HB3 H 1 2.963 0.010 . 2 . . . . 16 Asp HB3 . 19473 1 150 . 1 1 16 16 ASP C C 13 176.502 0.000 . 1 . . . . 16 Asp C . 19473 1 151 . 1 1 16 16 ASP CA C 13 54.349 0.021 . 1 . . . . 16 Asp CA . 19473 1 152 . 1 1 16 16 ASP CB C 13 40.757 0.012 . 1 . . . . 16 Asp CB . 19473 1 153 . 1 1 16 16 ASP N N 15 117.964 0.025 . 1 . . . . 16 Asp N . 19473 1 154 . 1 1 17 17 GLY H H 1 7.933 0.007 . 1 . . . . 17 Gly H . 19473 1 155 . 1 1 17 17 GLY HA2 H 1 3.856 0.014 . 2 . . . . 17 Gly HA2 . 19473 1 156 . 1 1 17 17 GLY HA3 H 1 4.268 0.003 . 2 . . . . 17 Gly HA3 . 19473 1 157 . 1 1 17 17 GLY C C 13 175.569 0.000 . 1 . . . . 17 Gly C . 19473 1 158 . 1 1 17 17 GLY CA C 13 45.673 0.007 . 1 . . . . 17 Gly CA . 19473 1 159 . 1 1 17 17 GLY N N 15 108.524 0.049 . 1 . . . . 17 Gly N . 19473 1 160 . 1 1 18 18 GLY H H 1 8.548 0.003 . 1 . . . . 18 Gly H . 19473 1 161 . 1 1 18 18 GLY HA2 H 1 4.084 0.003 . 2 . . . . 18 Gly HA2 . 19473 1 162 . 1 1 18 18 GLY HA3 H 1 3.424 0.006 . 2 . . . . 18 Gly HA3 . 19473 1 163 . 1 1 18 18 GLY C C 13 173.675 0.000 . 1 . . . . 18 Gly C . 19473 1 164 . 1 1 18 18 GLY CA C 13 45.786 0.010 . 1 . . . . 18 Gly CA . 19473 1 165 . 1 1 18 18 GLY N N 15 110.089 0.042 . 1 . . . . 18 Gly N . 19473 1 166 . 1 1 19 19 GLU H H 1 8.734 0.002 . 1 . . . . 19 Glu H . 19473 1 167 . 1 1 19 19 GLU HA H 1 4.157 0.003 . 1 . . . . 19 Glu HA . 19473 1 168 . 1 1 19 19 GLU HB2 H 1 1.644 0.006 . 2 . . . . 19 Glu HB2 . 19473 1 169 . 1 1 19 19 GLU HB3 H 1 1.920 0.005 . 2 . . . . 19 Glu HB3 . 19473 1 170 . 1 1 19 19 GLU HG2 H 1 2.166 0.004 . 2 . . . . 19 Glu HG2 . 19473 1 171 . 1 1 19 19 GLU HG3 H 1 1.916 0.004 . 2 . . . . 19 Glu HG3 . 19473 1 172 . 1 1 19 19 GLU C C 13 176.228 0.000 . 1 . . . . 19 Glu C . 19473 1 173 . 1 1 19 19 GLU CA C 13 56.982 0.012 . 1 . . . . 19 Glu CA . 19473 1 174 . 1 1 19 19 GLU CB C 13 31.338 0.031 . 1 . . . . 19 Glu CB . 19473 1 175 . 1 1 19 19 GLU N N 15 125.040 0.049 . 1 . . . . 19 Glu N . 19473 1 176 . 1 1 20 20 LEU H H 1 8.532 0.007 . 1 . . . . 20 Leu H . 19473 1 177 . 1 1 20 20 LEU HA H 1 4.498 0.006 . 1 . . . . 20 Leu HA . 19473 1 178 . 1 1 20 20 LEU HB2 H 1 1.658 0.006 . 2 . . . . 20 Leu HB2 . 19473 1 179 . 1 1 20 20 LEU HB3 H 1 1.333 0.015 . 2 . . . . 20 Leu HB3 . 19473 1 180 . 1 1 20 20 LEU HG H 1 1.299 0.021 . 1 . . . . 20 Leu HG . 19473 1 181 . 1 1 20 20 LEU HD11 H 1 0.651 0.004 . 2 . . . . 20 Leu HD11 . 19473 1 182 . 1 1 20 20 LEU HD12 H 1 0.651 0.004 . 2 . . . . 20 Leu HD12 . 19473 1 183 . 1 1 20 20 LEU HD13 H 1 0.651 0.004 . 2 . . . . 20 Leu HD13 . 19473 1 184 . 1 1 20 20 LEU HD21 H 1 0.087 0.009 . 2 . . . . 20 Leu HD21 . 19473 1 185 . 1 1 20 20 LEU HD22 H 1 0.087 0.009 . 2 . . . . 20 Leu HD22 . 19473 1 186 . 1 1 20 20 LEU HD23 H 1 0.087 0.009 . 2 . . . . 20 Leu HD23 . 19473 1 187 . 1 1 20 20 LEU C C 13 176.799 0.000 . 1 . . . . 20 Leu C . 19473 1 188 . 1 1 20 20 LEU CA C 13 53.358 0.041 . 1 . . . . 20 Leu CA . 19473 1 189 . 1 1 20 20 LEU CB C 13 45.743 0.028 . 1 . . . . 20 Leu CB . 19473 1 190 . 1 1 20 20 LEU N N 15 124.732 0.057 . 1 . . . . 20 Leu N . 19473 1 191 . 1 1 21 21 PHE H H 1 8.833 0.004 . 1 . . . . 21 Phe H . 19473 1 192 . 1 1 21 21 PHE HA H 1 4.647 0.006 . 1 . . . . 21 Phe HA . 19473 1 193 . 1 1 21 21 PHE HB2 H 1 3.522 0.017 . 2 . . . . 21 Phe HB2 . 19473 1 194 . 1 1 21 21 PHE HB3 H 1 2.680 0.002 . 2 . . . . 21 Phe HB3 . 19473 1 195 . 1 1 21 21 PHE HD1 H 1 7.105 0.011 . 3 . . . . 21 Phe HD1 . 19473 1 196 . 1 1 21 21 PHE HD2 H 1 7.105 0.011 . 3 . . . . 21 Phe HD2 . 19473 1 197 . 1 1 21 21 PHE HE1 H 1 7.336 0.004 . 3 . . . . 21 Phe HE1 . 19473 1 198 . 1 1 21 21 PHE HE2 H 1 7.336 0.004 . 3 . . . . 21 Phe HE2 . 19473 1 199 . 1 1 21 21 PHE HZ H 1 7.245 0.012 . 1 . . . . 21 Phe HZ . 19473 1 200 . 1 1 21 21 PHE C C 13 173.681 0.000 . 1 . . . . 21 Phe C . 19473 1 201 . 1 1 21 21 PHE CA C 13 57.733 0.064 . 1 . . . . 21 Phe CA . 19473 1 202 . 1 1 21 21 PHE CB C 13 38.281 0.016 . 1 . . . . 21 Phe CB . 19473 1 203 . 1 1 21 21 PHE N N 15 123.079 0.045 . 1 . . . . 21 Phe N . 19473 1 204 . 1 1 22 22 CYS H H 1 6.899 0.003 . 1 . . . . 22 Cys H . 19473 1 205 . 1 1 22 22 CYS HA H 1 6.050 0.010 . 1 . . . . 22 Cys HA . 19473 1 206 . 1 1 22 22 CYS HB2 H 1 4.274 0.009 . 2 . . . . 22 Cys HB2 . 19473 1 207 . 1 1 22 22 CYS HB3 H 1 2.670 0.008 . 2 . . . . 22 Cys HB3 . 19473 1 208 . 1 1 22 22 CYS C C 13 173.741 0.000 . 1 . . . . 22 Cys C . 19473 1 209 . 1 1 22 22 CYS CA C 13 52.376 0.004 . 1 . . . . 22 Cys CA . 19473 1 210 . 1 1 22 22 CYS CB C 13 50.955 0.024 . 1 . . . . 22 Cys CB . 19473 1 211 . 1 1 22 22 CYS N N 15 113.568 0.041 . 1 . . . . 22 Cys N . 19473 1 212 . 1 1 23 23 CYS H H 1 9.642 0.004 . 1 . . . . 23 Cys H . 19473 1 213 . 1 1 23 23 CYS HA H 1 5.060 0.008 . 1 . . . . 23 Cys HA . 19473 1 214 . 1 1 23 23 CYS HB2 H 1 3.254 0.007 . 2 . . . . 23 Cys HB2 . 19473 1 215 . 1 1 23 23 CYS HB3 H 1 3.677 0.008 . 2 . . . . 23 Cys HB3 . 19473 1 216 . 1 1 23 23 CYS C C 13 175.487 0.000 . 1 . . . . 23 Cys C . 19473 1 217 . 1 1 23 23 CYS CA C 13 58.376 0.022 . 1 . . . . 23 Cys CA . 19473 1 218 . 1 1 23 23 CYS CB C 13 31.383 0.017 . 1 . . . . 23 Cys CB . 19473 1 219 . 1 1 23 23 CYS N N 15 119.782 0.021 . 1 . . . . 23 Cys N . 19473 1 220 . 1 1 24 24 ASP H H 1 8.949 0.009 . 1 . . . . 24 Asp H . 19473 1 221 . 1 1 24 24 ASP HA H 1 4.349 0.011 . 1 . . . . 24 Asp HA . 19473 1 222 . 1 1 24 24 ASP HB2 H 1 2.782 0.013 . 2 . . . . 24 Asp HB2 . 19473 1 223 . 1 1 24 24 ASP HB3 H 1 2.793 0.010 . 2 . . . . 24 Asp HB3 . 19473 1 224 . 1 1 24 24 ASP C C 13 178.262 0.000 . 1 . . . . 24 Asp C . 19473 1 225 . 1 1 24 24 ASP CA C 13 58.127 0.015 . 1 . . . . 24 Asp CA . 19473 1 226 . 1 1 24 24 ASP CB C 13 40.996 0.024 . 1 . . . . 24 Asp CB . 19473 1 227 . 1 1 24 24 ASP N N 15 120.166 0.026 . 1 . . . . 24 Asp N . 19473 1 228 . 1 1 25 25 THR H H 1 8.261 0.003 . 1 . . . . 25 Thr H . 19473 1 229 . 1 1 25 25 THR HA H 1 4.048 0.001 . 1 . . . . 25 Thr HA . 19473 1 230 . 1 1 25 25 THR HB H 1 4.431 0.005 . 1 . . . . 25 Thr HB . 19473 1 231 . 1 1 25 25 THR HG21 H 1 1.271 0.002 . 1 . . . . 25 Thr HG21 . 19473 1 232 . 1 1 25 25 THR HG22 H 1 1.271 0.002 . 1 . . . . 25 Thr HG22 . 19473 1 233 . 1 1 25 25 THR HG23 H 1 1.271 0.002 . 1 . . . . 25 Thr HG23 . 19473 1 234 . 1 1 25 25 THR C C 13 177.392 0.000 . 1 . . . . 25 Thr C . 19473 1 235 . 1 1 25 25 THR CA C 13 66.751 0.023 . 1 . . . . 25 Thr CA . 19473 1 236 . 1 1 25 25 THR CB C 13 68.592 0.021 . 1 . . . . 25 Thr CB . 19473 1 237 . 1 1 25 25 THR N N 15 116.950 0.033 . 1 . . . . 25 Thr N . 19473 1 238 . 1 1 26 26 CYS H H 1 9.039 0.008 . 1 . . . . 26 Cys H . 19473 1 239 . 1 1 26 26 CYS HA H 1 3.966 0.005 . 1 . . . . 26 Cys HA . 19473 1 240 . 1 1 26 26 CYS HB2 H 1 3.284 0.014 . 2 . . . . 26 Cys HB2 . 19473 1 241 . 1 1 26 26 CYS HB3 H 1 3.263 0.010 . 2 . . . . 26 Cys HB3 . 19473 1 242 . 1 1 26 26 CYS C C 13 177.812 0.000 . 1 . . . . 26 Cys C . 19473 1 243 . 1 1 26 26 CYS CA C 13 65.183 0.023 . 1 . . . . 26 Cys CA . 19473 1 244 . 1 1 26 26 CYS CB C 13 30.515 0.031 . 1 . . . . 26 Cys CB . 19473 1 245 . 1 1 26 26 CYS N N 15 127.681 0.038 . 1 . . . . 26 Cys N . 19473 1 246 . 1 1 27 27 SER H H 1 8.739 0.003 . 1 . . . . 27 Ser H . 19473 1 247 . 1 1 27 27 SER HA H 1 4.334 0.007 . 1 . . . . 27 Ser HA . 19473 1 248 . 1 1 27 27 SER HB2 H 1 3.982 0.007 . 2 . . . . 27 Ser HB2 . 19473 1 249 . 1 1 27 27 SER HB3 H 1 3.980 0.007 . 2 . . . . 27 Ser HB3 . 19473 1 250 . 1 1 27 27 SER C C 13 174.886 0.000 . 1 . . . . 27 Ser C . 19473 1 251 . 1 1 27 27 SER CA C 13 61.525 0.018 . 1 . . . . 27 Ser CA . 19473 1 252 . 1 1 27 27 SER CB C 13 63.240 0.015 . 1 . . . . 27 Ser CB . 19473 1 253 . 1 1 27 27 SER N N 15 113.441 0.051 . 1 . . . . 27 Ser N . 19473 1 254 . 1 1 28 28 ARG H H 1 7.165 0.004 . 1 . . . . 28 Arg H . 19473 1 255 . 1 1 28 28 ARG HA H 1 4.420 0.008 . 1 . . . . 28 Arg HA . 19473 1 256 . 1 1 28 28 ARG HB2 H 1 1.930 0.009 . 2 . . . . 28 Arg HB2 . 19473 1 257 . 1 1 28 28 ARG HB3 H 1 2.038 0.002 . 2 . . . . 28 Arg HB3 . 19473 1 258 . 1 1 28 28 ARG HG2 H 1 1.730 0.002 . 2 . . . . 28 Arg HG2 . 19473 1 259 . 1 1 28 28 ARG HG3 H 1 1.730 0.009 . 2 . . . . 28 Arg HG3 . 19473 1 260 . 1 1 28 28 ARG HD2 H 1 3.267 0.009 . 2 . . . . 28 Arg HD2 . 19473 1 261 . 1 1 28 28 ARG HD3 H 1 3.265 0.010 . 2 . . . . 28 Arg HD3 . 19473 1 262 . 1 1 28 28 ARG C C 13 177.480 0.000 . 1 . . . . 28 Arg C . 19473 1 263 . 1 1 28 28 ARG CA C 13 57.562 0.027 . 1 . . . . 28 Arg CA . 19473 1 264 . 1 1 28 28 ARG CB C 13 30.618 0.020 . 1 . . . . 28 Arg CB . 19473 1 265 . 1 1 28 28 ARG N N 15 116.951 0.072 . 1 . . . . 28 Arg N . 19473 1 266 . 1 1 29 29 VAL H H 1 7.180 0.004 . 1 . . . . 29 Val H . 19473 1 267 . 1 1 29 29 VAL HA H 1 3.955 0.007 . 1 . . . . 29 Val HA . 19473 1 268 . 1 1 29 29 VAL HB H 1 1.498 0.007 . 1 . . . . 29 Val HB . 19473 1 269 . 1 1 29 29 VAL HG11 H 1 0.669 0.006 . 2 . . . . 29 Val HG11 . 19473 1 270 . 1 1 29 29 VAL HG12 H 1 0.669 0.006 . 2 . . . . 29 Val HG12 . 19473 1 271 . 1 1 29 29 VAL HG13 H 1 0.669 0.006 . 2 . . . . 29 Val HG13 . 19473 1 272 . 1 1 29 29 VAL HG21 H 1 0.212 0.004 . 2 . . . . 29 Val HG21 . 19473 1 273 . 1 1 29 29 VAL HG22 H 1 0.212 0.004 . 2 . . . . 29 Val HG22 . 19473 1 274 . 1 1 29 29 VAL HG23 H 1 0.212 0.004 . 2 . . . . 29 Val HG23 . 19473 1 275 . 1 1 29 29 VAL C C 13 176.065 0.000 . 1 . . . . 29 Val C . 19473 1 276 . 1 1 29 29 VAL CA C 13 63.842 0.050 . 1 . . . . 29 Val CA . 19473 1 277 . 1 1 29 29 VAL CB C 13 33.305 0.028 . 1 . . . . 29 Val CB . 19473 1 278 . 1 1 29 29 VAL N N 15 117.437 0.063 . 1 . . . . 29 Val N . 19473 1 279 . 1 1 30 30 PHE H H 1 8.142 0.012 . 1 . . . . 30 Phe H . 19473 1 280 . 1 1 30 30 PHE HA H 1 5.172 0.017 . 1 . . . . 30 Phe HA . 19473 1 281 . 1 1 30 30 PHE HB2 H 1 2.548 0.018 . 2 . . . . 30 Phe HB2 . 19473 1 282 . 1 1 30 30 PHE HB3 H 1 3.147 0.011 . 2 . . . . 30 Phe HB3 . 19473 1 283 . 1 1 30 30 PHE HD1 H 1 6.838 0.006 . 3 . . . . 30 Phe HD1 . 19473 1 284 . 1 1 30 30 PHE HD2 H 1 6.838 0.006 . 3 . . . . 30 Phe HD2 . 19473 1 285 . 1 1 30 30 PHE HE1 H 1 7.157 0.006 . 3 . . . . 30 Phe HE1 . 19473 1 286 . 1 1 30 30 PHE HE2 H 1 7.157 0.006 . 3 . . . . 30 Phe HE2 . 19473 1 287 . 1 1 30 30 PHE HZ H 1 7.144 0.010 . 1 . . . . 30 Phe HZ . 19473 1 288 . 1 1 30 30 PHE C C 13 176.539 0.000 . 1 . . . . 30 Phe C . 19473 1 289 . 1 1 30 30 PHE CA C 13 54.799 0.018 . 1 . . . . 30 Phe CA . 19473 1 290 . 1 1 30 30 PHE CB C 13 39.378 0.037 . 1 . . . . 30 Phe CB . 19473 1 291 . 1 1 30 30 PHE N N 15 123.211 0.038 . 1 . . . . 30 Phe N . 19473 1 292 . 1 1 31 31 HIS H H 1 7.685 0.007 . 1 . . . . 31 His H . 19473 1 293 . 1 1 31 31 HIS HA H 1 3.736 0.005 . 1 . . . . 31 His HA . 19473 1 294 . 1 1 31 31 HIS HB2 H 1 3.147 0.004 . 2 . . . . 31 His HB2 . 19473 1 295 . 1 1 31 31 HIS HB3 H 1 3.498 0.007 . 2 . . . . 31 His HB3 . 19473 1 296 . 1 1 31 31 HIS HD1 H 1 11.622 0.005 . 1 . . . . 31 His HD1 . 19473 1 297 . 1 1 31 31 HIS HD2 H 1 7.204 0.006 . 1 . . . . 31 His HD2 . 19473 1 298 . 1 1 31 31 HIS HE1 H 1 7.677 0.004 . 1 . . . . 31 His HE1 . 19473 1 299 . 1 1 31 31 HIS C C 13 176.486 0.000 . 1 . . . . 31 His C . 19473 1 300 . 1 1 31 31 HIS CA C 13 63.365 0.042 . 1 . . . . 31 His CA . 19473 1 301 . 1 1 31 31 HIS CB C 13 29.477 0.030 . 1 . . . . 31 His CB . 19473 1 302 . 1 1 31 31 HIS N N 15 119.888 0.028 . 1 . . . . 31 His N . 19473 1 303 . 1 1 32 32 GLU H H 1 8.764 0.003 . 1 . . . . 32 Glu H . 19473 1 304 . 1 1 32 32 GLU HA H 1 4.188 0.005 . 1 . . . . 32 Glu HA . 19473 1 305 . 1 1 32 32 GLU HB2 H 1 2.235 0.010 . 2 . . . . 32 Glu HB2 . 19473 1 306 . 1 1 32 32 GLU HB3 H 1 2.212 0.010 . 2 . . . . 32 Glu HB3 . 19473 1 307 . 1 1 32 32 GLU HG2 H 1 2.561 0.007 . 2 . . . . 32 Glu HG2 . 19473 1 308 . 1 1 32 32 GLU HG3 H 1 2.561 0.009 . 2 . . . . 32 Glu HG3 . 19473 1 309 . 1 1 32 32 GLU C C 13 180.770 0.000 . 1 . . . . 32 Glu C . 19473 1 310 . 1 1 32 32 GLU CA C 13 60.765 0.034 . 1 . . . . 32 Glu CA . 19473 1 311 . 1 1 32 32 GLU CB C 13 29.253 0.003 . 1 . . . . 32 Glu CB . 19473 1 312 . 1 1 32 32 GLU N N 15 114.077 0.019 . 1 . . . . 32 Glu N . 19473 1 313 . 1 1 33 33 ASP H H 1 8.359 0.003 . 1 . . . . 33 Asp H . 19473 1 314 . 1 1 33 33 ASP HA H 1 4.680 0.006 . 1 . . . . 33 Asp HA . 19473 1 315 . 1 1 33 33 ASP HB2 H 1 2.929 0.013 . 2 . . . . 33 Asp HB2 . 19473 1 316 . 1 1 33 33 ASP HB3 H 1 2.883 0.019 . 2 . . . . 33 Asp HB3 . 19473 1 317 . 1 1 33 33 ASP C C 13 178.865 0.000 . 1 . . . . 33 Asp C . 19473 1 318 . 1 1 33 33 ASP CA C 13 56.903 0.033 . 1 . . . . 33 Asp CA . 19473 1 319 . 1 1 33 33 ASP CB C 13 41.268 0.027 . 1 . . . . 33 Asp CB . 19473 1 320 . 1 1 33 33 ASP N N 15 120.381 0.057 . 1 . . . . 33 Asp N . 19473 1 321 . 1 1 34 34 CYS H H 1 8.281 0.002 . 1 . . . . 34 Cys H . 19473 1 322 . 1 1 34 34 CYS HA H 1 4.565 0.007 . 1 . . . . 34 Cys HA . 19473 1 323 . 1 1 34 34 CYS HB2 H 1 3.295 0.010 . 2 . . . . 34 Cys HB2 . 19473 1 324 . 1 1 34 34 CYS HB3 H 1 2.643 0.009 . 2 . . . . 34 Cys HB3 . 19473 1 325 . 1 1 34 34 CYS C C 13 174.421 0.000 . 1 . . . . 34 Cys C . 19473 1 326 . 1 1 34 34 CYS CA C 13 59.206 0.008 . 1 . . . . 34 Cys CA . 19473 1 327 . 1 1 34 34 CYS CB C 13 42.851 0.025 . 1 . . . . 34 Cys CB . 19473 1 328 . 1 1 34 34 CYS N N 15 116.794 0.052 . 1 . . . . 34 Cys N . 19473 1 329 . 1 1 35 35 HIS H H 1 7.759 0.007 . 1 . . . . 35 His H . 19473 1 330 . 1 1 35 35 HIS HA H 1 5.296 0.005 . 1 . . . . 35 His HA . 19473 1 331 . 1 1 35 35 HIS HB2 H 1 3.374 0.007 . 2 . . . . 35 His HB2 . 19473 1 332 . 1 1 35 35 HIS HB3 H 1 3.582 0.009 . 2 . . . . 35 His HB3 . 19473 1 333 . 1 1 35 35 HIS HD1 H 1 11.402 0.003 . 1 . . . . 35 His HD1 . 19473 1 334 . 1 1 35 35 HIS HD2 H 1 6.839 0.004 . 1 . . . . 35 His HD2 . 19473 1 335 . 1 1 35 35 HIS HE1 H 1 7.907 0.006 . 1 . . . . 35 His HE1 . 19473 1 336 . 1 1 35 35 HIS C C 13 174.513 0.000 . 1 . . . . 35 His C . 19473 1 337 . 1 1 35 35 HIS CA C 13 56.381 0.014 . 1 . . . . 35 His CA . 19473 1 338 . 1 1 35 35 HIS CB C 13 30.010 0.038 . 1 . . . . 35 His CB . 19473 1 339 . 1 1 35 35 HIS N N 15 117.507 0.003 . 1 . . . . 35 His N . 19473 1 340 . 1 1 36 36 ILE H H 1 7.718 0.006 . 1 . . . . 36 Ile H . 19473 1 341 . 1 1 36 36 ILE HA H 1 4.535 0.004 . 1 . . . . 36 Ile HA . 19473 1 342 . 1 1 36 36 ILE HB H 1 2.143 0.004 . 1 . . . . 36 Ile HB . 19473 1 343 . 1 1 36 36 ILE HG12 H 1 1.800 0.006 . 2 . . . . 36 Ile HG12 . 19473 1 344 . 1 1 36 36 ILE HG13 H 1 1.327 0.004 . 2 . . . . 36 Ile HG13 . 19473 1 345 . 1 1 36 36 ILE HG21 H 1 0.937 0.012 . 1 . . . . 36 Ile HG21 . 19473 1 346 . 1 1 36 36 ILE HG22 H 1 0.937 0.012 . 1 . . . . 36 Ile HG22 . 19473 1 347 . 1 1 36 36 ILE HG23 H 1 0.937 0.012 . 1 . . . . 36 Ile HG23 . 19473 1 348 . 1 1 36 36 ILE HD11 H 1 1.002 0.007 . 1 . . . . 36 Ile HD11 . 19473 1 349 . 1 1 36 36 ILE HD12 H 1 1.002 0.007 . 1 . . . . 36 Ile HD12 . 19473 1 350 . 1 1 36 36 ILE HD13 H 1 1.002 0.007 . 1 . . . . 36 Ile HD13 . 19473 1 351 . 1 1 36 36 ILE CA C 13 58.730 0.007 . 1 . . . . 36 Ile CA . 19473 1 352 . 1 1 36 36 ILE CB C 13 37.798 0.025 . 1 . . . . 36 Ile CB . 19473 1 353 . 1 1 36 36 ILE N N 15 125.930 0.064 . 1 . . . . 36 Ile N . 19473 1 354 . 1 1 37 37 PRO HA H 1 4.999 0.003 . 1 . . . . 37 Pro HA . 19473 1 355 . 1 1 37 37 PRO HB2 H 1 2.010 0.003 . 2 . . . . 37 Pro HB2 . 19473 1 356 . 1 1 37 37 PRO HB3 H 1 2.486 0.005 . 2 . . . . 37 Pro HB3 . 19473 1 357 . 1 1 37 37 PRO HG2 H 1 2.023 0.003 . 2 . . . . 37 Pro HG2 . 19473 1 358 . 1 1 37 37 PRO HG3 H 1 1.890 0.004 . 2 . . . . 37 Pro HG3 . 19473 1 359 . 1 1 37 37 PRO HD2 H 1 3.681 0.017 . 2 . . . . 37 Pro HD2 . 19473 1 360 . 1 1 37 37 PRO HD3 H 1 3.602 0.007 . 2 . . . . 37 Pro HD3 . 19473 1 361 . 1 1 37 37 PRO CA C 13 63.220 0.018 . 1 . . . . 37 Pro CA . 19473 1 362 . 1 1 37 37 PRO CB C 13 35.060 0.029 . 1 . . . . 37 Pro CB . 19473 1 363 . 1 1 38 38 PRO HA H 1 4.429 0.007 . 1 . . . . 38 Pro HA . 19473 1 364 . 1 1 38 38 PRO HB2 H 1 2.157 0.006 . 2 . . . . 38 Pro HB2 . 19473 1 365 . 1 1 38 38 PRO HB3 H 1 2.156 0.005 . 2 . . . . 38 Pro HB3 . 19473 1 366 . 1 1 38 38 PRO HG2 H 1 1.794 0.016 . 2 . . . . 38 Pro HG2 . 19473 1 367 . 1 1 38 38 PRO HG3 H 1 1.824 0.016 . 2 . . . . 38 Pro HG3 . 19473 1 368 . 1 1 38 38 PRO HD2 H 1 3.062 0.011 . 2 . . . . 38 Pro HD2 . 19473 1 369 . 1 1 38 38 PRO HD3 H 1 2.884 0.010 . 2 . . . . 38 Pro HD3 . 19473 1 370 . 1 1 38 38 PRO C C 13 176.427 0.000 . 1 . . . . 38 Pro C . 19473 1 371 . 1 1 38 38 PRO CA C 13 61.585 0.019 . 1 . . . . 38 Pro CA . 19473 1 372 . 1 1 38 38 PRO CB C 13 32.452 0.015 . 1 . . . . 38 Pro CB . 19473 1 373 . 1 1 39 39 VAL H H 1 8.222 0.004 . 1 . . . . 39 Val H . 19473 1 374 . 1 1 39 39 VAL HA H 1 3.993 0.008 . 1 . . . . 39 Val HA . 19473 1 375 . 1 1 39 39 VAL HB H 1 2.131 0.007 . 1 . . . . 39 Val HB . 19473 1 376 . 1 1 39 39 VAL HG11 H 1 0.985 0.006 . 2 . . . . 39 Val HG11 . 19473 1 377 . 1 1 39 39 VAL HG12 H 1 0.985 0.006 . 2 . . . . 39 Val HG12 . 19473 1 378 . 1 1 39 39 VAL HG13 H 1 0.985 0.006 . 2 . . . . 39 Val HG13 . 19473 1 379 . 1 1 39 39 VAL HG21 H 1 0.988 0.005 . 2 . . . . 39 Val HG21 . 19473 1 380 . 1 1 39 39 VAL HG22 H 1 0.988 0.005 . 2 . . . . 39 Val HG22 . 19473 1 381 . 1 1 39 39 VAL HG23 H 1 0.988 0.005 . 2 . . . . 39 Val HG23 . 19473 1 382 . 1 1 39 39 VAL C C 13 176.261 0.000 . 1 . . . . 39 Val C . 19473 1 383 . 1 1 39 39 VAL CA C 13 62.972 0.021 . 1 . . . . 39 Val CA . 19473 1 384 . 1 1 39 39 VAL CB C 13 31.773 0.004 . 1 . . . . 39 Val CB . 19473 1 385 . 1 1 39 39 VAL N N 15 118.069 0.045 . 1 . . . . 39 Val N . 19473 1 386 . 1 1 40 40 GLU H H 1 8.453 0.002 . 1 . . . . 40 Glu H . 19473 1 387 . 1 1 40 40 GLU HA H 1 3.991 0.005 . 1 . . . . 40 Glu HA . 19473 1 388 . 1 1 40 40 GLU HB2 H 1 2.050 0.004 . 2 . . . . 40 Glu HB2 . 19473 1 389 . 1 1 40 40 GLU HB3 H 1 2.051 0.001 . 2 . . . . 40 Glu HB3 . 19473 1 390 . 1 1 40 40 GLU HG2 H 1 2.303 0.003 . 2 . . . . 40 Glu HG2 . 19473 1 391 . 1 1 40 40 GLU HG3 H 1 2.304 0.002 . 2 . . . . 40 Glu HG3 . 19473 1 392 . 1 1 40 40 GLU C C 13 177.398 0.000 . 1 . . . . 40 Glu C . 19473 1 393 . 1 1 40 40 GLU CA C 13 58.663 0.014 . 1 . . . . 40 Glu CA . 19473 1 394 . 1 1 40 40 GLU CB C 13 29.603 0.008 . 1 . . . . 40 Glu CB . 19473 1 395 . 1 1 40 40 GLU N N 15 122.725 0.017 . 1 . . . . 40 Glu N . 19473 1 396 . 1 1 41 41 ALA H H 1 8.363 0.006 . 1 . . . . 41 Ala H . 19473 1 397 . 1 1 41 41 ALA HA H 1 4.238 0.011 . 1 . . . . 41 Ala HA . 19473 1 398 . 1 1 41 41 ALA HB1 H 1 1.435 0.003 . 1 . . . . 41 Ala HB1 . 19473 1 399 . 1 1 41 41 ALA HB2 H 1 1.435 0.003 . 1 . . . . 41 Ala HB2 . 19473 1 400 . 1 1 41 41 ALA HB3 H 1 1.435 0.003 . 1 . . . . 41 Ala HB3 . 19473 1 401 . 1 1 41 41 ALA C C 13 178.127 0.000 . 1 . . . . 41 Ala C . 19473 1 402 . 1 1 41 41 ALA CA C 13 53.708 0.010 . 1 . . . . 41 Ala CA . 19473 1 403 . 1 1 41 41 ALA CB C 13 19.121 0.017 . 1 . . . . 41 Ala CB . 19473 1 404 . 1 1 41 41 ALA N N 15 121.993 0.049 . 1 . . . . 41 Ala N . 19473 1 405 . 1 1 42 42 GLU H H 1 8.173 0.001 . 1 . . . . 42 Glu H . 19473 1 406 . 1 1 42 42 GLU HA H 1 4.449 0.004 . 1 . . . . 42 Glu HA . 19473 1 407 . 1 1 42 42 GLU HB2 H 1 1.865 0.007 . 2 . . . . 42 Glu HB2 . 19473 1 408 . 1 1 42 42 GLU HB3 H 1 1.862 0.008 . 2 . . . . 42 Glu HB3 . 19473 1 409 . 1 1 42 42 GLU HG2 H 1 2.219 0.008 . 2 . . . . 42 Glu HG2 . 19473 1 410 . 1 1 42 42 GLU HG3 H 1 2.219 0.008 . 2 . . . . 42 Glu HG3 . 19473 1 411 . 1 1 42 42 GLU C C 13 175.760 0.000 . 1 . . . . 42 Glu C . 19473 1 412 . 1 1 42 42 GLU CA C 13 55.900 0.047 . 1 . . . . 42 Glu CA . 19473 1 413 . 1 1 42 42 GLU CB C 13 30.124 0.007 . 1 . . . . 42 Glu CB . 19473 1 414 . 1 1 42 42 GLU N N 15 117.596 0.026 . 1 . . . . 42 Glu N . 19473 1 415 . 1 1 43 43 ARG H H 1 7.922 0.006 . 1 . . . . 43 Arg H . 19473 1 416 . 1 1 43 43 ARG HA H 1 4.299 0.007 . 1 . . . . 43 Arg HA . 19473 1 417 . 1 1 43 43 ARG HB2 H 1 1.854 0.009 . 2 . . . . 43 Arg HB2 . 19473 1 418 . 1 1 43 43 ARG HB3 H 1 2.005 0.006 . 2 . . . . 43 Arg HB3 . 19473 1 419 . 1 1 43 43 ARG HG2 H 1 1.674 0.018 . 2 . . . . 43 Arg HG2 . 19473 1 420 . 1 1 43 43 ARG HG3 H 1 1.690 0.014 . 2 . . . . 43 Arg HG3 . 19473 1 421 . 1 1 43 43 ARG HD2 H 1 3.246 0.010 . 2 . . . . 43 Arg HD2 . 19473 1 422 . 1 1 43 43 ARG HD3 H 1 3.240 0.005 . 2 . . . . 43 Arg HD3 . 19473 1 423 . 1 1 43 43 ARG C C 13 175.397 0.000 . 1 . . . . 43 Arg C . 19473 1 424 . 1 1 43 43 ARG CA C 13 56.932 0.013 . 1 . . . . 43 Arg CA . 19473 1 425 . 1 1 43 43 ARG CB C 13 31.286 0.034 . 1 . . . . 43 Arg CB . 19473 1 426 . 1 1 43 43 ARG N N 15 120.615 0.040 . 1 . . . . 43 Arg N . 19473 1 427 . 1 1 44 44 THR H H 1 7.722 0.002 . 1 . . . . 44 Thr H . 19473 1 428 . 1 1 44 44 THR HA H 1 4.551 0.006 . 1 . . . . 44 Thr HA . 19473 1 429 . 1 1 44 44 THR HB H 1 4.100 0.007 . 1 . . . . 44 Thr HB . 19473 1 430 . 1 1 44 44 THR HG21 H 1 1.228 0.007 . 1 . . . . 44 Thr HG21 . 19473 1 431 . 1 1 44 44 THR HG22 H 1 1.228 0.007 . 1 . . . . 44 Thr HG22 . 19473 1 432 . 1 1 44 44 THR HG23 H 1 1.228 0.007 . 1 . . . . 44 Thr HG23 . 19473 1 433 . 1 1 44 44 THR CA C 13 58.765 0.013 . 1 . . . . 44 Thr CA . 19473 1 434 . 1 1 44 44 THR CB C 13 70.440 0.026 . 1 . . . . 44 Thr CB . 19473 1 435 . 1 1 44 44 THR N N 15 113.684 0.055 . 1 . . . . 44 Thr N . 19473 1 436 . 1 1 45 45 PRO HA H 1 4.848 0.008 . 1 . . . . 45 Pro HA . 19473 1 437 . 1 1 45 45 PRO HB2 H 1 2.430 0.004 . 2 . . . . 45 Pro HB2 . 19473 1 438 . 1 1 45 45 PRO HB3 H 1 2.133 0.004 . 2 . . . . 45 Pro HB3 . 19473 1 439 . 1 1 45 45 PRO HG2 H 1 1.697 0.010 . 2 . . . . 45 Pro HG2 . 19473 1 440 . 1 1 45 45 PRO HG3 H 1 1.949 0.005 . 2 . . . . 45 Pro HG3 . 19473 1 441 . 1 1 45 45 PRO HD2 H 1 3.506 0.004 . 2 . . . . 45 Pro HD2 . 19473 1 442 . 1 1 45 45 PRO HD3 H 1 3.505 0.001 . 2 . . . . 45 Pro HD3 . 19473 1 443 . 1 1 45 45 PRO C C 13 175.546 0.000 . 1 . . . . 45 Pro C . 19473 1 444 . 1 1 45 45 PRO CA C 13 63.026 0.017 . 1 . . . . 45 Pro CA . 19473 1 445 . 1 1 45 45 PRO CB C 13 34.506 0.017 . 1 . . . . 45 Pro CB . 19473 1 446 . 1 1 46 46 TRP H H 1 8.523 0.006 . 1 . . . . 46 Trp H . 19473 1 447 . 1 1 46 46 TRP HA H 1 4.449 0.009 . 1 . . . . 46 Trp HA . 19473 1 448 . 1 1 46 46 TRP HB2 H 1 3.330 0.023 . 2 . . . . 46 Trp HB2 . 19473 1 449 . 1 1 46 46 TRP HB3 H 1 3.416 0.019 . 2 . . . . 46 Trp HB3 . 19473 1 450 . 1 1 46 46 TRP HD1 H 1 7.482 0.004 . 1 . . . . 46 Trp HD1 . 19473 1 451 . 1 1 46 46 TRP HE1 H 1 10.185 0.005 . 1 . . . . 46 Trp HE1 . 19473 1 452 . 1 1 46 46 TRP HE3 H 1 7.479 0.009 . 1 . . . . 46 Trp HE3 . 19473 1 453 . 1 1 46 46 TRP HZ2 H 1 7.296 0.009 . 1 . . . . 46 Trp HZ2 . 19473 1 454 . 1 1 46 46 TRP HZ3 H 1 7.019 0.011 . 1 . . . . 46 Trp HZ3 . 19473 1 455 . 1 1 46 46 TRP HH2 H 1 6.953 0.009 . 1 . . . . 46 Trp HH2 . 19473 1 456 . 1 1 46 46 TRP C C 13 176.173 0.000 . 1 . . . . 46 Trp C . 19473 1 457 . 1 1 46 46 TRP CA C 13 58.942 0.021 . 1 . . . . 46 Trp CA . 19473 1 458 . 1 1 46 46 TRP CB C 13 29.741 0.030 . 1 . . . . 46 Trp CB . 19473 1 459 . 1 1 46 46 TRP N N 15 122.827 0.023 . 1 . . . . 46 Trp N . 19473 1 460 . 1 1 47 47 ASN H H 1 7.776 0.004 . 1 . . . . 47 Asn H . 19473 1 461 . 1 1 47 47 ASN HA H 1 4.541 0.004 . 1 . . . . 47 Asn HA . 19473 1 462 . 1 1 47 47 ASN HB2 H 1 2.482 0.020 . 2 . . . . 47 Asn HB2 . 19473 1 463 . 1 1 47 47 ASN HB3 H 1 2.540 0.018 . 2 . . . . 47 Asn HB3 . 19473 1 464 . 1 1 47 47 ASN HD21 H 1 7.402 0.002 . 1 . . . . 47 Asn HD21 . 19473 1 465 . 1 1 47 47 ASN HD22 H 1 6.854 0.000 . 1 . . . . 47 Asn HD22 . 19473 1 466 . 1 1 47 47 ASN C C 13 172.555 0.000 . 1 . . . . 47 Asn C . 19473 1 467 . 1 1 47 47 ASN CA C 13 52.591 0.022 . 1 . . . . 47 Asn CA . 19473 1 468 . 1 1 47 47 ASN CB C 13 41.257 0.030 . 1 . . . . 47 Asn CB . 19473 1 469 . 1 1 47 47 ASN N N 15 122.236 0.020 . 1 . . . . 47 Asn N . 19473 1 470 . 1 1 48 48 CYS H H 1 8.237 0.004 . 1 . . . . 48 Cys H . 19473 1 471 . 1 1 48 48 CYS HA H 1 4.291 0.005 . 1 . . . . 48 Cys HA . 19473 1 472 . 1 1 48 48 CYS HB2 H 1 3.078 0.008 . 2 . . . . 48 Cys HB2 . 19473 1 473 . 1 1 48 48 CYS HB3 H 1 3.143 0.007 . 2 . . . . 48 Cys HB3 . 19473 1 474 . 1 1 48 48 CYS C C 13 176.923 0.000 . 1 . . . . 48 Cys C . 19473 1 475 . 1 1 48 48 CYS CA C 13 58.946 0.020 . 1 . . . . 48 Cys CA . 19473 1 476 . 1 1 48 48 CYS CB C 13 30.101 0.025 . 1 . . . . 48 Cys CB . 19473 1 477 . 1 1 48 48 CYS N N 15 123.430 0.060 . 1 . . . . 48 Cys N . 19473 1 478 . 1 1 49 49 ILE H H 1 8.209 0.002 . 1 . . . . 49 Ile H . 19473 1 479 . 1 1 49 49 ILE HA H 1 3.743 0.006 . 1 . . . . 49 Ile HA . 19473 1 480 . 1 1 49 49 ILE HB H 1 1.620 0.007 . 1 . . . . 49 Ile HB . 19473 1 481 . 1 1 49 49 ILE HG12 H 1 1.181 0.013 . 2 . . . . 49 Ile HG12 . 19473 1 482 . 1 1 49 49 ILE HG13 H 1 1.183 0.013 . 2 . . . . 49 Ile HG13 . 19473 1 483 . 1 1 49 49 ILE HG21 H 1 0.634 0.008 . 1 . . . . 49 Ile HG21 . 19473 1 484 . 1 1 49 49 ILE HG22 H 1 0.634 0.008 . 1 . . . . 49 Ile HG22 . 19473 1 485 . 1 1 49 49 ILE HG23 H 1 0.634 0.008 . 1 . . . . 49 Ile HG23 . 19473 1 486 . 1 1 49 49 ILE HD11 H 1 0.802 0.010 . 1 . . . . 49 Ile HD11 . 19473 1 487 . 1 1 49 49 ILE HD12 H 1 0.802 0.010 . 1 . . . . 49 Ile HD12 . 19473 1 488 . 1 1 49 49 ILE HD13 H 1 0.802 0.010 . 1 . . . . 49 Ile HD13 . 19473 1 489 . 1 1 49 49 ILE C C 13 176.658 0.000 . 1 . . . . 49 Ile C . 19473 1 490 . 1 1 49 49 ILE CA C 13 64.910 0.007 . 1 . . . . 49 Ile CA . 19473 1 491 . 1 1 49 49 ILE CB C 13 38.888 0.010 . 1 . . . . 49 Ile CB . 19473 1 492 . 1 1 49 49 ILE N N 15 126.493 0.041 . 1 . . . . 49 Ile N . 19473 1 493 . 1 1 50 50 PHE H H 1 8.264 0.003 . 1 . . . . 50 Phe H . 19473 1 494 . 1 1 50 50 PHE HA H 1 4.564 0.014 . 1 . . . . 50 Phe HA . 19473 1 495 . 1 1 50 50 PHE HB2 H 1 3.221 0.012 . 2 . . . . 50 Phe HB2 . 19473 1 496 . 1 1 50 50 PHE HB3 H 1 3.570 0.007 . 2 . . . . 50 Phe HB3 . 19473 1 497 . 1 1 50 50 PHE HD1 H 1 7.178 0.005 . 3 . . . . 50 Phe HD1 . 19473 1 498 . 1 1 50 50 PHE HD2 H 1 7.178 0.005 . 3 . . . . 50 Phe HD2 . 19473 1 499 . 1 1 50 50 PHE HE1 H 1 7.063 0.016 . 3 . . . . 50 Phe HE1 . 19473 1 500 . 1 1 50 50 PHE HE2 H 1 7.063 0.016 . 3 . . . . 50 Phe HE2 . 19473 1 501 . 1 1 50 50 PHE HZ H 1 7.053 0.009 . 1 . . . . 50 Phe HZ . 19473 1 502 . 1 1 50 50 PHE C C 13 178.563 0.000 . 1 . . . . 50 Phe C . 19473 1 503 . 1 1 50 50 PHE CA C 13 61.473 0.027 . 1 . . . . 50 Phe CA . 19473 1 504 . 1 1 50 50 PHE CB C 13 41.423 0.002 . 1 . . . . 50 Phe CB . 19473 1 505 . 1 1 50 50 PHE N N 15 121.604 0.042 . 1 . . . . 50 Phe N . 19473 1 506 . 1 1 51 51 CYS H H 1 8.729 0.008 . 1 . . . . 51 Cys H . 19473 1 507 . 1 1 51 51 CYS HA H 1 4.404 0.006 . 1 . . . . 51 Cys HA . 19473 1 508 . 1 1 51 51 CYS HB2 H 1 3.035 0.010 . 2 . . . . 51 Cys HB2 . 19473 1 509 . 1 1 51 51 CYS HB3 H 1 3.026 0.012 . 2 . . . . 51 Cys HB3 . 19473 1 510 . 1 1 51 51 CYS C C 13 177.436 0.000 . 1 . . . . 51 Cys C . 19473 1 511 . 1 1 51 51 CYS CA C 13 63.812 0.010 . 1 . . . . 51 Cys CA . 19473 1 512 . 1 1 51 51 CYS CB C 13 30.650 0.009 . 1 . . . . 51 Cys CB . 19473 1 513 . 1 1 51 51 CYS N N 15 125.154 0.030 . 1 . . . . 51 Cys N . 19473 1 514 . 1 1 52 52 ARG H H 1 7.834 0.002 . 1 . . . . 52 Arg H . 19473 1 515 . 1 1 52 52 ARG HA H 1 4.157 0.012 . 1 . . . . 52 Arg HA . 19473 1 516 . 1 1 52 52 ARG HB2 H 1 1.801 0.001 . 2 . . . . 52 Arg HB2 . 19473 1 517 . 1 1 52 52 ARG HB3 H 1 1.809 0.012 . 2 . . . . 52 Arg HB3 . 19473 1 518 . 1 1 52 52 ARG HG2 H 1 1.483 0.008 . 2 . . . . 52 Arg HG2 . 19473 1 519 . 1 1 52 52 ARG HG3 H 1 1.480 0.008 . 2 . . . . 52 Arg HG3 . 19473 1 520 . 1 1 52 52 ARG HD2 H 1 3.033 0.003 . 2 . . . . 52 Arg HD2 . 19473 1 521 . 1 1 52 52 ARG HD3 H 1 3.030 0.004 . 2 . . . . 52 Arg HD3 . 19473 1 522 . 1 1 52 52 ARG C C 13 176.497 0.000 . 1 . . . . 52 Arg C . 19473 1 523 . 1 1 52 52 ARG CA C 13 57.490 0.018 . 1 . . . . 52 Arg CA . 19473 1 524 . 1 1 52 52 ARG CB C 13 29.109 0.013 . 1 . . . . 52 Arg CB . 19473 1 525 . 1 1 52 52 ARG N N 15 117.911 0.037 . 1 . . . . 52 Arg N . 19473 1 526 . 1 1 53 53 MET H H 1 7.845 0.003 . 1 . . . . 53 Met H . 19473 1 527 . 1 1 53 53 MET HA H 1 4.410 0.014 . 1 . . . . 53 Met HA . 19473 1 528 . 1 1 53 53 MET HB2 H 1 2.644 0.013 . 2 . . . . 53 Met HB2 . 19473 1 529 . 1 1 53 53 MET HB3 H 1 2.650 0.009 . 2 . . . . 53 Met HB3 . 19473 1 530 . 1 1 53 53 MET HG2 H 1 2.196 0.000 . 2 . . . . 53 Met HG2 . 19473 1 531 . 1 1 53 53 MET HG3 H 1 2.198 0.006 . 2 . . . . 53 Met HG3 . 19473 1 532 . 1 1 53 53 MET C C 13 176.524 0.000 . 1 . . . . 53 Met C . 19473 1 533 . 1 1 53 53 MET CA C 13 56.508 0.004 . 1 . . . . 53 Met CA . 19473 1 534 . 1 1 53 53 MET CB C 13 32.398 0.327 . 1 . . . . 53 Met CB . 19473 1 535 . 1 1 53 53 MET N N 15 119.532 0.043 . 1 . . . . 53 Met N . 19473 1 536 . 1 1 54 54 LYS H H 1 7.953 0.010 . 1 . . . . 54 Lys H . 19473 1 537 . 1 1 54 54 LYS HA H 1 4.473 0.009 . 1 . . . . 54 Lys HA . 19473 1 538 . 1 1 54 54 LYS HB2 H 1 1.943 0.026 . 2 . . . . 54 Lys HB2 . 19473 1 539 . 1 1 54 54 LYS HB3 H 1 1.962 0.021 . 2 . . . . 54 Lys HB3 . 19473 1 540 . 1 1 54 54 LYS HG2 H 1 1.555 0.012 . 2 . . . . 54 Lys HG2 . 19473 1 541 . 1 1 54 54 LYS HG3 H 1 1.574 0.022 . 2 . . . . 54 Lys HG3 . 19473 1 542 . 1 1 54 54 LYS HD2 H 1 1.787 0.004 . 2 . . . . 54 Lys HD2 . 19473 1 543 . 1 1 54 54 LYS HD3 H 1 1.783 0.005 . 2 . . . . 54 Lys HD3 . 19473 1 544 . 1 1 54 54 LYS HE2 H 1 3.075 0.001 . 2 . . . . 54 Lys HE2 . 19473 1 545 . 1 1 54 54 LYS HE3 H 1 3.076 0.003 . 2 . . . . 54 Lys HE3 . 19473 1 546 . 1 1 54 54 LYS C C 13 176.646 0.000 . 1 . . . . 54 Lys C . 19473 1 547 . 1 1 54 54 LYS CA C 13 56.740 0.010 . 1 . . . . 54 Lys CA . 19473 1 548 . 1 1 54 54 LYS CB C 13 33.209 0.037 . 1 . . . . 54 Lys CB . 19473 1 549 . 1 1 54 54 LYS N N 15 121.317 0.022 . 1 . . . . 54 Lys N . 19473 1 550 . 1 1 55 55 GLU H H 1 8.300 0.003 . 1 . . . . 55 Glu H . 19473 1 551 . 1 1 55 55 GLU HA H 1 4.395 0.008 . 1 . . . . 55 Glu HA . 19473 1 552 . 1 1 55 55 GLU HB2 H 1 2.013 0.004 . 2 . . . . 55 Glu HB2 . 19473 1 553 . 1 1 55 55 GLU HB3 H 1 2.181 0.005 . 2 . . . . 55 Glu HB3 . 19473 1 554 . 1 1 55 55 GLU HG2 H 1 2.356 0.018 . 2 . . . . 55 Glu HG2 . 19473 1 555 . 1 1 55 55 GLU HG3 H 1 2.342 0.020 . 2 . . . . 55 Glu HG3 . 19473 1 556 . 1 1 55 55 GLU C C 13 175.746 0.000 . 1 . . . . 55 Glu C . 19473 1 557 . 1 1 55 55 GLU CA C 13 56.677 0.015 . 1 . . . . 55 Glu CA . 19473 1 558 . 1 1 55 55 GLU CB C 13 30.439 0.007 . 1 . . . . 55 Glu CB . 19473 1 559 . 1 1 55 55 GLU N N 15 122.145 0.054 . 1 . . . . 55 Glu N . 19473 1 560 . 1 1 56 56 SER H H 1 8.011 0.004 . 1 . . . . 56 Ser H . 19473 1 561 . 1 1 56 56 SER HA H 1 4.323 0.004 . 1 . . . . 56 Ser HA . 19473 1 562 . 1 1 56 56 SER HB2 H 1 3.924 0.000 . 2 . . . . 56 Ser HB2 . 19473 1 563 . 1 1 56 56 SER HB3 H 1 3.917 0.008 . 2 . . . . 56 Ser HB3 . 19473 1 564 . 1 1 56 56 SER CA C 13 60.049 0.032 . 1 . . . . 56 Ser CA . 19473 1 565 . 1 1 56 56 SER CB C 13 64.807 0.005 . 1 . . . . 56 Ser CB . 19473 1 566 . 1 1 56 56 SER N N 15 122.834 0.051 . 1 . . . . 56 Ser N . 19473 1 stop_ save_