################################### # 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 19472 _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' . . . 19472 1 2 '2D 1H-13C HSQC' . . . 19472 1 3 '2D 1H-1H TOCSY' . . . 19472 1 4 '2D 1H-1H TOCSY' . . . 19472 1 5 '2D 1H-1H NOESY' . . . 19472 1 6 '2D 1H-1H NOESY' . . . 19472 1 7 '3D CBCA(CO)NH' . . . 19472 1 8 '3D C(CO)NH' . . . 19472 1 9 '3D HNCO' . . . 19472 1 10 '3D HNCA' . . . 19472 1 11 '3D HNCACB' . . . 19472 1 13 '3D H(CCO)NH' . . . 19472 1 14 '3D HCCH-TOCSY' . . . 19472 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 4.350 0.008 . 1 . . . . 1 GLY HA3 . 19472 1 2 . 1 1 1 1 GLY C C 13 175.875 0.000 . 1 . . . . 1 GLY C . 19472 1 3 . 1 1 1 1 GLY CA C 13 56.247 0.064 . 1 . . . . 1 GLY CA . 19472 1 4 . 1 1 2 2 ALA H H 1 8.413 0.002 . 1 . . . . 2 ALA H . 19472 1 5 . 1 1 2 2 ALA HA H 1 4.432 0.003 . 1 . . . . 2 ALA HA . 19472 1 6 . 1 1 2 2 ALA HB1 H 1 1.467 0.006 . 1 . . . . 2 ALA HB1 . 19472 1 7 . 1 1 2 2 ALA HB2 H 1 1.467 0.006 . 1 . . . . 2 ALA HB2 . 19472 1 8 . 1 1 2 2 ALA HB3 H 1 1.467 0.006 . 1 . . . . 2 ALA HB3 . 19472 1 9 . 1 1 2 2 ALA C C 13 177.917 0.000 . 1 . . . . 2 ALA C . 19472 1 10 . 1 1 2 2 ALA CA C 13 52.547 0.055 . 1 . . . . 2 ALA CA . 19472 1 11 . 1 1 2 2 ALA CB C 13 19.509 0.032 . 1 . . . . 2 ALA CB . 19472 1 12 . 1 1 2 2 ALA N N 15 126.844 0.031 . 1 . . . . 2 ALA N . 19472 1 13 . 1 1 3 3 MET H H 1 8.633 0.006 . 1 . . . . 3 MET H . 19472 1 14 . 1 1 3 3 MET HA H 1 4.540 0.008 . 1 . . . . 3 MET HA . 19472 1 15 . 1 1 3 3 MET HB2 H 1 2.122 0.021 . 2 . . . . 3 MET HB2 . 19472 1 16 . 1 1 3 3 MET HB3 H 1 2.126 0.019 . 2 . . . . 3 MET HB3 . 19472 1 17 . 1 1 3 3 MET HG2 H 1 2.612 0.020 . 2 . . . . 3 MET HG2 . 19472 1 18 . 1 1 3 3 MET HG3 H 1 2.659 0.023 . 2 . . . . 3 MET HG3 . 19472 1 19 . 1 1 3 3 MET C C 13 176.819 0.000 . 1 . . . . 3 MET C . 19472 1 20 . 1 1 3 3 MET CA C 13 55.634 0.024 . 1 . . . . 3 MET CA . 19472 1 21 . 1 1 3 3 MET CB C 13 32.623 0.033 . 1 . . . . 3 MET CB . 19472 1 22 . 1 1 3 3 MET N N 15 120.450 0.047 . 1 . . . . 3 MET N . 19472 1 23 . 1 1 4 4 GLY H H 1 8.511 0.004 . 1 . . . . 4 GLY H . 19472 1 24 . 1 1 4 4 GLY HA2 H 1 3.991 0.007 . 2 . . . . 4 GLY HA2 . 19472 1 25 . 1 1 4 4 GLY HA3 H 1 3.988 0.005 . 2 . . . . 4 GLY HA3 . 19472 1 26 . 1 1 4 4 GLY C C 13 173.965 0.000 . 1 . . . . 4 GLY C . 19472 1 27 . 1 1 4 4 GLY CA C 13 45.425 0.022 . 1 . . . . 4 GLY CA . 19472 1 28 . 1 1 4 4 GLY N N 15 110.698 0.079 . 1 . . . . 4 GLY N . 19472 1 29 . 1 1 5 5 MET H H 1 8.296 0.011 . 1 . . . . 5 MET H . 19472 1 30 . 1 1 5 5 MET HA H 1 4.546 0.007 . 1 . . . . 5 MET HA . 19472 1 31 . 1 1 5 5 MET HB2 H 1 2.112 0.021 . 2 . . . . 5 MET HB2 . 19472 1 32 . 1 1 5 5 MET HB3 H 1 2.098 0.021 . 2 . . . . 5 MET HB3 . 19472 1 33 . 1 1 5 5 MET HG2 H 1 2.614 0.019 . 2 . . . . 5 MET HG2 . 19472 1 34 . 1 1 5 5 MET HG3 H 1 2.645 0.030 . 2 . . . . 5 MET HG3 . 19472 1 35 . 1 1 5 5 MET C C 13 176.221 0.000 . 1 . . . . 5 MET C . 19472 1 36 . 1 1 5 5 MET CA C 13 55.554 0.109 . 1 . . . . 5 MET CA . 19472 1 37 . 1 1 5 5 MET CB C 13 32.968 0.063 . 1 . . . . 5 MET CB . 19472 1 38 . 1 1 5 5 MET N N 15 120.796 0.086 . 1 . . . . 5 MET N . 19472 1 39 . 1 1 6 6 ARG H H 1 8.483 0.009 . 1 . . . . 6 ARG H . 19472 1 40 . 1 1 6 6 ARG HA H 1 4.443 0.007 . 1 . . . . 6 ARG HA . 19472 1 41 . 1 1 6 6 ARG HB2 H 1 1.849 0.006 . 2 . . . . 6 ARG HB2 . 19472 1 42 . 1 1 6 6 ARG HB3 H 1 1.845 0.005 . 2 . . . . 6 ARG HB3 . 19472 1 43 . 1 1 6 6 ARG HG2 H 1 1.712 0.007 . 2 . . . . 6 ARG HG2 . 19472 1 44 . 1 1 6 6 ARG HG3 H 1 1.711 0.003 . 2 . . . . 6 ARG HG3 . 19472 1 45 . 1 1 6 6 ARG HD2 H 1 3.270 0.007 . 2 . . . . 6 ARG HD2 . 19472 1 46 . 1 1 6 6 ARG HD3 H 1 3.270 0.008 . 2 . . . . 6 ARG HD3 . 19472 1 47 . 1 1 6 6 ARG C C 13 175.812 0.000 . 1 . . . . 6 ARG C . 19472 1 48 . 1 1 6 6 ARG CA C 13 56.294 0.077 . 1 . . . . 6 ARG CA . 19472 1 49 . 1 1 6 6 ARG CB C 13 31.036 0.023 . 1 . . . . 6 ARG CB . 19472 1 50 . 1 1 6 6 ARG N N 15 122.905 0.074 . 1 . . . . 6 ARG N . 19472 1 51 . 1 1 7 7 ASN H H 1 8.653 0.005 . 1 . . . . 7 ASN H . 19472 1 52 . 1 1 7 7 ASN HA H 1 4.798 0.015 . 1 . . . . 7 ASN HA . 19472 1 53 . 1 1 7 7 ASN HB2 H 1 2.722 0.017 . 2 . . . . 7 ASN HB2 . 19472 1 54 . 1 1 7 7 ASN HB3 H 1 2.907 0.005 . 2 . . . . 7 ASN HB3 . 19472 1 55 . 1 1 7 7 ASN HD21 H 1 7.650 0.012 . 1 . . . . 7 ASN HD21 . 19472 1 56 . 1 1 7 7 ASN HD22 H 1 7.034 0.011 . 1 . . . . 7 ASN HD22 . 19472 1 57 . 1 1 7 7 ASN C C 13 175.326 0.000 . 1 . . . . 7 ASN C . 19472 1 58 . 1 1 7 7 ASN CA C 13 52.922 0.033 . 1 . . . . 7 ASN CA . 19472 1 59 . 1 1 7 7 ASN CB C 13 38.646 0.067 . 1 . . . . 7 ASN CB . 19472 1 60 . 1 1 7 7 ASN N N 15 121.329 0.083 . 1 . . . . 7 ASN N . 19472 1 61 . 1 1 8 8 LEU H H 1 8.424 0.006 . 1 . . . . 8 LEU H . 19472 1 62 . 1 1 8 8 LEU HA H 1 4.179 0.011 . 1 . . . . 8 LEU HA . 19472 1 63 . 1 1 8 8 LEU HB2 H 1 1.644 0.019 . 2 . . . . 8 LEU HB2 . 19472 1 64 . 1 1 8 8 LEU HB3 H 1 1.603 0.026 . 2 . . . . 8 LEU HB3 . 19472 1 65 . 1 1 8 8 LEU HG H 1 1.619 0.013 . 1 . . . . 8 LEU HG . 19472 1 66 . 1 1 8 8 LEU HD11 H 1 0.840 0.018 . 2 . . . . 8 LEU HD11 . 19472 1 67 . 1 1 8 8 LEU HD12 H 1 0.840 0.018 . 2 . . . . 8 LEU HD12 . 19472 1 68 . 1 1 8 8 LEU HD13 H 1 0.840 0.018 . 2 . . . . 8 LEU HD13 . 19472 1 69 . 1 1 8 8 LEU HD21 H 1 0.903 0.028 . 2 . . . . 8 LEU HD21 . 19472 1 70 . 1 1 8 8 LEU HD22 H 1 0.903 0.028 . 2 . . . . 8 LEU HD22 . 19472 1 71 . 1 1 8 8 LEU HD23 H 1 0.903 0.028 . 2 . . . . 8 LEU HD23 . 19472 1 72 . 1 1 8 8 LEU C C 13 177.712 0.000 . 1 . . . . 8 LEU C . 19472 1 73 . 1 1 8 8 LEU CA C 13 56.239 0.015 . 1 . . . . 8 LEU CA . 19472 1 74 . 1 1 8 8 LEU CB C 13 41.820 0.029 . 1 . . . . 8 LEU CB . 19472 1 75 . 1 1 8 8 LEU N N 15 123.542 0.074 . 1 . . . . 8 LEU N . 19472 1 76 . 1 1 9 9 ASP H H 1 8.298 0.002 . 1 . . . . 9 ASP H . 19472 1 77 . 1 1 9 9 ASP HA H 1 4.507 0.004 . 1 . . . . 9 ASP HA . 19472 1 78 . 1 1 9 9 ASP HB2 H 1 2.694 0.022 . 2 . . . . 9 ASP HB2 . 19472 1 79 . 1 1 9 9 ASP HB3 H 1 2.709 0.019 . 2 . . . . 9 ASP HB3 . 19472 1 80 . 1 1 9 9 ASP C C 13 176.739 0.000 . 1 . . . . 9 ASP C . 19472 1 81 . 1 1 9 9 ASP CA C 13 55.546 0.031 . 1 . . . . 9 ASP CA . 19472 1 82 . 1 1 9 9 ASP CB C 13 40.862 0.027 . 1 . . . . 9 ASP CB . 19472 1 83 . 1 1 9 9 ASP N N 15 119.812 0.118 . 1 . . . . 9 ASP N . 19472 1 84 . 1 1 10 10 GLU H H 1 7.859 0.014 . 1 . . . . 10 GLU H . 19472 1 85 . 1 1 10 10 GLU HA H 1 4.343 0.005 . 1 . . . . 10 GLU HA . 19472 1 86 . 1 1 10 10 GLU HB2 H 1 2.185 0.021 . 2 . . . . 10 GLU HB2 . 19472 1 87 . 1 1 10 10 GLU HB3 H 1 2.162 0.022 . 2 . . . . 10 GLU HB3 . 19472 1 88 . 1 1 10 10 GLU HG2 H 1 1.902 0.006 . 2 . . . . 10 GLU HG2 . 19472 1 89 . 1 1 10 10 GLU HG3 H 1 1.902 0.007 . 2 . . . . 10 GLU HG3 . 19472 1 90 . 1 1 10 10 GLU C C 13 175.546 0.000 . 1 . . . . 10 GLU C . 19472 1 91 . 1 1 10 10 GLU CA C 13 56.161 0.074 . 1 . . . . 10 GLU CA . 19472 1 92 . 1 1 10 10 GLU CB C 13 30.733 0.019 . 1 . . . . 10 GLU CB . 19472 1 93 . 1 1 10 10 GLU N N 15 118.272 0.040 . 1 . . . . 10 GLU N . 19472 1 94 . 1 1 11 11 CYS H H 1 7.894 0.005 . 1 . . . . 11 CYS H . 19472 1 95 . 1 1 11 11 CYS HA H 1 4.615 0.010 . 1 . . . . 11 CYS HA . 19472 1 96 . 1 1 11 11 CYS HB2 H 1 3.157 0.018 . 2 . . . . 11 CYS HB2 . 19472 1 97 . 1 1 11 11 CYS HB3 H 1 2.969 0.013 . 2 . . . . 11 CYS HB3 . 19472 1 98 . 1 1 11 11 CYS C C 13 176.541 0.000 . 1 . . . . 11 CYS C . 19472 1 99 . 1 1 11 11 CYS CA C 13 58.693 0.102 . 1 . . . . 11 CYS CA . 19472 1 100 . 1 1 11 11 CYS CB C 13 29.238 0.047 . 1 . . . . 11 CYS CB . 19472 1 101 . 1 1 11 11 CYS N N 15 123.189 0.085 . 1 . . . . 11 CYS N . 19472 1 102 . 1 1 12 12 GLU H H 1 9.514 0.011 . 1 . . . . 12 GLU H . 19472 1 103 . 1 1 12 12 GLU HA H 1 3.954 0.011 . 1 . . . . 12 GLU HA . 19472 1 104 . 1 1 12 12 GLU HB2 H 1 2.123 0.018 . 2 . . . . 12 GLU HB2 . 19472 1 105 . 1 1 12 12 GLU HB3 H 1 2.125 0.026 . 2 . . . . 12 GLU HB3 . 19472 1 106 . 1 1 12 12 GLU HG2 H 1 2.405 0.020 . 2 . . . . 12 GLU HG2 . 19472 1 107 . 1 1 12 12 GLU HG3 H 1 2.395 0.019 . 2 . . . . 12 GLU HG3 . 19472 1 108 . 1 1 12 12 GLU C C 13 177.203 0.000 . 1 . . . . 12 GLU C . 19472 1 109 . 1 1 12 12 GLU CA C 13 59.482 0.040 . 1 . . . . 12 GLU CA . 19472 1 110 . 1 1 12 12 GLU CB C 13 29.642 0.015 . 1 . . . . 12 GLU CB . 19472 1 111 . 1 1 12 12 GLU N N 15 131.984 0.038 . 1 . . . . 12 GLU N . 19472 1 112 . 1 1 13 13 VAL H H 1 8.090 0.012 . 1 . . . . 13 VAL H . 19472 1 113 . 1 1 13 13 VAL HA H 1 3.753 0.008 . 1 . . . . 13 VAL HA . 19472 1 114 . 1 1 13 13 VAL HB H 1 1.219 0.013 . 1 . . . . 13 VAL HB . 19472 1 115 . 1 1 13 13 VAL HG11 H 1 0.401 0.003 . 2 . . . . 13 VAL HG11 . 19472 1 116 . 1 1 13 13 VAL HG12 H 1 0.401 0.003 . 2 . . . . 13 VAL HG12 . 19472 1 117 . 1 1 13 13 VAL HG13 H 1 0.401 0.003 . 2 . . . . 13 VAL HG13 . 19472 1 118 . 1 1 13 13 VAL HG21 H 1 0.955 0.006 . 2 . . . . 13 VAL HG21 . 19472 1 119 . 1 1 13 13 VAL HG22 H 1 0.955 0.006 . 2 . . . . 13 VAL HG22 . 19472 1 120 . 1 1 13 13 VAL HG23 H 1 0.955 0.006 . 2 . . . . 13 VAL HG23 . 19472 1 121 . 1 1 13 13 VAL C C 13 180.331 0.000 . 1 . . . . 13 VAL C . 19472 1 122 . 1 1 13 13 VAL CA C 13 66.056 0.010 . 1 . . . . 13 VAL CA . 19472 1 123 . 1 1 13 13 VAL CB C 13 32.175 0.042 . 1 . . . . 13 VAL CB . 19472 1 124 . 1 1 13 13 VAL N N 15 123.119 0.046 . 1 . . . . 13 VAL N . 19472 1 125 . 1 1 14 14 CYS H H 1 9.128 0.004 . 1 . . . . 14 CYS H . 19472 1 126 . 1 1 14 14 CYS HA H 1 4.209 0.005 . 1 . . . . 14 CYS HA . 19472 1 127 . 1 1 14 14 CYS HB2 H 1 2.985 0.016 . 2 . . . . 14 CYS HB2 . 19472 1 128 . 1 1 14 14 CYS HB3 H 1 3.183 0.018 . 2 . . . . 14 CYS HB3 . 19472 1 129 . 1 1 14 14 CYS C C 13 179.874 0.000 . 1 . . . . 14 CYS C . 19472 1 130 . 1 1 14 14 CYS CA C 13 66.249 0.020 . 1 . . . . 14 CYS CA . 19472 1 131 . 1 1 14 14 CYS CB C 13 28.837 0.071 . 1 . . . . 14 CYS CB . 19472 1 132 . 1 1 14 14 CYS N N 15 125.667 0.037 . 1 . . . . 14 CYS N . 19472 1 133 . 1 1 15 15 ARG H H 1 8.074 0.009 . 1 . . . . 15 ARG H . 19472 1 134 . 1 1 15 15 ARG HA H 1 4.028 0.013 . 1 . . . . 15 ARG HA . 19472 1 135 . 1 1 15 15 ARG HB2 H 1 2.031 0.008 . 2 . . . . 15 ARG HB2 . 19472 1 136 . 1 1 15 15 ARG HB3 H 1 2.032 0.013 . 2 . . . . 15 ARG HB3 . 19472 1 137 . 1 1 15 15 ARG HG2 H 1 1.645 0.008 . 2 . . . . 15 ARG HG2 . 19472 1 138 . 1 1 15 15 ARG HG3 H 1 1.917 0.005 . 2 . . . . 15 ARG HG3 . 19472 1 139 . 1 1 15 15 ARG HD2 H 1 3.287 0.018 . 2 . . . . 15 ARG HD2 . 19472 1 140 . 1 1 15 15 ARG HD3 H 1 3.288 0.016 . 2 . . . . 15 ARG HD3 . 19472 1 141 . 1 1 15 15 ARG C C 13 177.657 0.000 . 1 . . . . 15 ARG C . 19472 1 142 . 1 1 15 15 ARG CA C 13 59.665 0.026 . 1 . . . . 15 ARG CA . 19472 1 143 . 1 1 15 15 ARG CB C 13 29.972 0.013 . 1 . . . . 15 ARG CB . 19472 1 144 . 1 1 15 15 ARG N N 15 122.000 0.078 . 1 . . . . 15 ARG N . 19472 1 145 . 1 1 16 16 ASP H H 1 7.561 0.004 . 1 . . . . 16 ASP H . 19472 1 146 . 1 1 16 16 ASP HA H 1 4.823 0.010 . 1 . . . . 16 ASP HA . 19472 1 147 . 1 1 16 16 ASP HB2 H 1 2.965 0.008 . 2 . . . . 16 ASP HB2 . 19472 1 148 . 1 1 16 16 ASP HB3 H 1 2.740 0.009 . 2 . . . . 16 ASP HB3 . 19472 1 149 . 1 1 16 16 ASP C C 13 176.502 0.000 . 1 . . . . 16 ASP C . 19472 1 150 . 1 1 16 16 ASP CA C 13 54.343 0.015 . 1 . . . . 16 ASP CA . 19472 1 151 . 1 1 16 16 ASP CB C 13 40.756 0.011 . 1 . . . . 16 ASP CB . 19472 1 152 . 1 1 16 16 ASP N N 15 117.958 0.022 . 1 . . . . 16 ASP N . 19472 1 153 . 1 1 17 17 GLY H H 1 7.933 0.007 . 1 . . . . 17 GLY H . 19472 1 154 . 1 1 17 17 GLY HA2 H 1 4.266 0.012 . 2 . . . . 17 GLY HA2 . 19472 1 155 . 1 1 17 17 GLY HA3 H 1 3.856 0.017 . 2 . . . . 17 GLY HA3 . 19472 1 156 . 1 1 17 17 GLY C C 13 175.569 0.000 . 1 . . . . 17 GLY C . 19472 1 157 . 1 1 17 17 GLY CA C 13 45.672 0.006 . 1 . . . . 17 GLY CA . 19472 1 158 . 1 1 17 17 GLY N N 15 108.518 0.045 . 1 . . . . 17 GLY N . 19472 1 159 . 1 1 18 18 GLY H H 1 8.548 0.003 . 1 . . . . 18 GLY H . 19472 1 160 . 1 1 18 18 GLY HA2 H 1 3.420 0.013 . 2 . . . . 18 GLY HA2 . 19472 1 161 . 1 1 18 18 GLY HA3 H 1 4.085 0.011 . 2 . . . . 18 GLY HA3 . 19472 1 162 . 1 1 18 18 GLY C C 13 173.675 0.000 . 1 . . . . 18 GLY C . 19472 1 163 . 1 1 18 18 GLY CA C 13 45.785 0.009 . 1 . . . . 18 GLY CA . 19472 1 164 . 1 1 18 18 GLY N N 15 110.087 0.038 . 1 . . . . 18 GLY N . 19472 1 165 . 1 1 19 19 GLU H H 1 8.733 0.005 . 1 . . . . 19 GLU H . 19472 1 166 . 1 1 19 19 GLU HA H 1 4.158 0.004 . 1 . . . . 19 GLU HA . 19472 1 167 . 1 1 19 19 GLU HB2 H 1 1.920 0.011 . 2 . . . . 19 GLU HB2 . 19472 1 168 . 1 1 19 19 GLU HB3 H 1 1.646 0.009 . 2 . . . . 19 GLU HB3 . 19472 1 169 . 1 1 19 19 GLU HG2 H 1 2.167 0.004 . 2 . . . . 19 GLU HG2 . 19472 1 170 . 1 1 19 19 GLU HG3 H 1 2.167 0.004 . 2 . . . . 19 GLU HG3 . 19472 1 171 . 1 1 19 19 GLU C C 13 176.228 0.000 . 1 . . . . 19 GLU C . 19472 1 172 . 1 1 19 19 GLU CA C 13 56.979 0.024 . 1 . . . . 19 GLU CA . 19472 1 173 . 1 1 19 19 GLU CB C 13 31.342 0.029 . 1 . . . . 19 GLU CB . 19472 1 174 . 1 1 19 19 GLU N N 15 125.025 0.042 . 1 . . . . 19 GLU N . 19472 1 175 . 1 1 20 20 LEU H H 1 8.533 0.007 . 1 . . . . 20 LEU H . 19472 1 176 . 1 1 20 20 LEU HA H 1 4.494 0.010 . 1 . . . . 20 LEU HA . 19472 1 177 . 1 1 20 20 LEU HB2 H 1 1.273 0.010 . 2 . . . . 20 LEU HB2 . 19472 1 178 . 1 1 20 20 LEU HB3 H 1 1.652 0.008 . 2 . . . . 20 LEU HB3 . 19472 1 179 . 1 1 20 20 LEU HG H 1 1.266 0.015 . 1 . . . . 20 LEU HG . 19472 1 180 . 1 1 20 20 LEU HD11 H 1 0.016 0.008 . 2 . . . . 20 LEU HD11 . 19472 1 181 . 1 1 20 20 LEU HD12 H 1 0.016 0.008 . 2 . . . . 20 LEU HD12 . 19472 1 182 . 1 1 20 20 LEU HD13 H 1 0.016 0.008 . 2 . . . . 20 LEU HD13 . 19472 1 183 . 1 1 20 20 LEU HD21 H 1 0.655 0.005 . 2 . . . . 20 LEU HD21 . 19472 1 184 . 1 1 20 20 LEU HD22 H 1 0.655 0.005 . 2 . . . . 20 LEU HD22 . 19472 1 185 . 1 1 20 20 LEU HD23 H 1 0.655 0.005 . 2 . . . . 20 LEU HD23 . 19472 1 186 . 1 1 20 20 LEU C C 13 176.681 0.000 . 1 . . . . 20 LEU C . 19472 1 187 . 1 1 20 20 LEU CA C 13 53.345 0.031 . 1 . . . . 20 LEU CA . 19472 1 188 . 1 1 20 20 LEU CB C 13 45.832 0.027 . 1 . . . . 20 LEU CB . 19472 1 189 . 1 1 20 20 LEU N N 15 124.736 0.091 . 1 . . . . 20 LEU N . 19472 1 190 . 1 1 21 21 PHE H H 1 8.764 0.002 . 1 . . . . 21 PHE H . 19472 1 191 . 1 1 21 21 PHE HA H 1 4.769 0.012 . 1 . . . . 21 PHE HA . 19472 1 192 . 1 1 21 21 PHE HB2 H 1 2.678 0.006 . 2 . . . . 21 PHE HB2 . 19472 1 193 . 1 1 21 21 PHE HB3 H 1 3.572 0.009 . 2 . . . . 21 PHE HB3 . 19472 1 194 . 1 1 21 21 PHE HD1 H 1 7.163 0.016 . 3 . . . . 21 PHE HD1 . 19472 1 195 . 1 1 21 21 PHE HD2 H 1 7.163 0.016 . 3 . . . . 21 PHE HD2 . 19472 1 196 . 1 1 21 21 PHE HE1 H 1 7.240 0.030 . 3 . . . . 21 PHE HE1 . 19472 1 197 . 1 1 21 21 PHE HE2 H 1 7.240 0.030 . 3 . . . . 21 PHE HE2 . 19472 1 198 . 1 1 21 21 PHE HZ H 1 7.302 0.022 . 1 . . . . 21 PHE HZ . 19472 1 199 . 1 1 21 21 PHE C C 13 174.253 0.000 . 1 . . . . 21 PHE C . 19472 1 200 . 1 1 21 21 PHE CA C 13 57.569 0.056 . 1 . . . . 21 PHE CA . 19472 1 201 . 1 1 21 21 PHE CB C 13 38.386 0.041 . 1 . . . . 21 PHE CB . 19472 1 202 . 1 1 21 21 PHE N N 15 122.602 0.038 . 1 . . . . 21 PHE N . 19472 1 203 . 1 1 22 22 CYS H H 1 6.850 0.003 . 1 . . . . 22 CYS H . 19472 1 204 . 1 1 22 22 CYS HA H 1 5.993 0.008 . 1 . . . . 22 CYS HA . 19472 1 205 . 1 1 22 22 CYS HB2 H 1 4.257 0.009 . 2 . . . . 22 CYS HB2 . 19472 1 206 . 1 1 22 22 CYS HB3 H 1 2.669 0.010 . 2 . . . . 22 CYS HB3 . 19472 1 207 . 1 1 22 22 CYS C C 13 173.584 0.000 . 1 . . . . 22 CYS C . 19472 1 208 . 1 1 22 22 CYS CA C 13 52.441 0.054 . 1 . . . . 22 CYS CA . 19472 1 209 . 1 1 22 22 CYS CB C 13 50.915 0.038 . 1 . . . . 22 CYS CB . 19472 1 210 . 1 1 22 22 CYS N N 15 113.955 0.049 . 1 . . . . 22 CYS N . 19472 1 211 . 1 1 23 23 CYS H H 1 9.573 0.004 . 1 . . . . 23 CYS H . 19472 1 212 . 1 1 23 23 CYS HA H 1 4.958 0.006 . 1 . . . . 23 CYS HA . 19472 1 213 . 1 1 23 23 CYS HB2 H 1 3.186 0.020 . 2 . . . . 23 CYS HB2 . 19472 1 214 . 1 1 23 23 CYS HB3 H 1 3.607 0.004 . 2 . . . . 23 CYS HB3 . 19472 1 215 . 1 1 23 23 CYS C C 13 175.485 0.000 . 1 . . . . 23 CYS C . 19472 1 216 . 1 1 23 23 CYS CA C 13 58.336 0.030 . 1 . . . . 23 CYS CA . 19472 1 217 . 1 1 23 23 CYS CB C 13 31.086 0.043 . 1 . . . . 23 CYS CB . 19472 1 218 . 1 1 23 23 CYS N N 15 119.842 0.038 . 1 . . . . 23 CYS N . 19472 1 219 . 1 1 24 24 ASP H H 1 8.924 0.005 . 1 . . . . 24 ASP H . 19472 1 220 . 1 1 24 24 ASP HA H 1 4.345 0.004 . 1 . . . . 24 ASP HA . 19472 1 221 . 1 1 24 24 ASP HB2 H 1 2.779 0.010 . 2 . . . . 24 ASP HB2 . 19472 1 222 . 1 1 24 24 ASP HB3 H 1 2.790 0.010 . 2 . . . . 24 ASP HB3 . 19472 1 223 . 1 1 24 24 ASP C C 13 178.262 0.000 . 1 . . . . 24 ASP C . 19472 1 224 . 1 1 24 24 ASP CA C 13 58.123 0.013 . 1 . . . . 24 ASP CA . 19472 1 225 . 1 1 24 24 ASP CB C 13 41.003 0.027 . 1 . . . . 24 ASP CB . 19472 1 226 . 1 1 24 24 ASP N N 15 120.211 0.035 . 1 . . . . 24 ASP N . 19472 1 227 . 1 1 25 25 THR H H 1 8.262 0.005 . 1 . . . . 25 THR H . 19472 1 228 . 1 1 25 25 THR HA H 1 4.047 0.009 . 1 . . . . 25 THR HA . 19472 1 229 . 1 1 25 25 THR HB H 1 4.431 0.004 . 1 . . . . 25 THR HB . 19472 1 230 . 1 1 25 25 THR HG21 H 1 1.270 0.003 . 1 . . . . 25 THR HG21 . 19472 1 231 . 1 1 25 25 THR HG22 H 1 1.270 0.003 . 1 . . . . 25 THR HG22 . 19472 1 232 . 1 1 25 25 THR HG23 H 1 1.270 0.003 . 1 . . . . 25 THR HG23 . 19472 1 233 . 1 1 25 25 THR C C 13 177.392 0.000 . 1 . . . . 25 THR C . 19472 1 234 . 1 1 25 25 THR CA C 13 66.749 0.025 . 1 . . . . 25 THR CA . 19472 1 235 . 1 1 25 25 THR CB C 13 68.596 0.021 . 1 . . . . 25 THR CB . 19472 1 236 . 1 1 25 25 THR N N 15 116.939 0.046 . 1 . . . . 25 THR N . 19472 1 237 . 1 1 26 26 CYS H H 1 9.037 0.005 . 1 . . . . 26 CYS H . 19472 1 238 . 1 1 26 26 CYS HA H 1 3.962 0.007 . 1 . . . . 26 CYS HA . 19472 1 239 . 1 1 26 26 CYS HB2 H 1 3.267 0.016 . 2 . . . . 26 CYS HB2 . 19472 1 240 . 1 1 26 26 CYS HB3 H 1 3.283 0.015 . 2 . . . . 26 CYS HB3 . 19472 1 241 . 1 1 26 26 CYS C C 13 177.812 0.000 . 1 . . . . 26 CYS C . 19472 1 242 . 1 1 26 26 CYS CA C 13 65.189 0.014 . 1 . . . . 26 CYS CA . 19472 1 243 . 1 1 26 26 CYS CB C 13 30.514 0.030 . 1 . . . . 26 CYS CB . 19472 1 244 . 1 1 26 26 CYS N N 15 127.683 0.037 . 1 . . . . 26 CYS N . 19472 1 245 . 1 1 27 27 SER H H 1 8.739 0.004 . 1 . . . . 27 SER H . 19472 1 246 . 1 1 27 27 SER HA H 1 4.332 0.009 . 1 . . . . 27 SER HA . 19472 1 247 . 1 1 27 27 SER HB2 H 1 3.979 0.014 . 2 . . . . 27 SER HB2 . 19472 1 248 . 1 1 27 27 SER HB3 H 1 3.979 0.012 . 2 . . . . 27 SER HB3 . 19472 1 249 . 1 1 27 27 SER C C 13 174.886 0.000 . 1 . . . . 27 SER C . 19472 1 250 . 1 1 27 27 SER CA C 13 61.518 0.016 . 1 . . . . 27 SER CA . 19472 1 251 . 1 1 27 27 SER CB C 13 63.230 0.010 . 1 . . . . 27 SER CB . 19472 1 252 . 1 1 27 27 SER N N 15 113.442 0.050 . 1 . . . . 27 SER N . 19472 1 253 . 1 1 28 28 ARG H H 1 7.167 0.006 . 1 . . . . 28 ARG H . 19472 1 254 . 1 1 28 28 ARG HA H 1 4.413 0.016 . 1 . . . . 28 ARG HA . 19472 1 255 . 1 1 28 28 ARG HB2 H 1 1.933 0.007 . 2 . . . . 28 ARG HB2 . 19472 1 256 . 1 1 28 28 ARG HB3 H 1 1.932 0.008 . 2 . . . . 28 ARG HB3 . 19472 1 257 . 1 1 28 28 ARG HG2 H 1 1.730 0.003 . 2 . . . . 28 ARG HG2 . 19472 1 258 . 1 1 28 28 ARG HG3 H 1 1.727 0.007 . 2 . . . . 28 ARG HG3 . 19472 1 259 . 1 1 28 28 ARG HD2 H 1 3.258 0.008 . 2 . . . . 28 ARG HD2 . 19472 1 260 . 1 1 28 28 ARG HD3 H 1 3.263 0.009 . 2 . . . . 28 ARG HD3 . 19472 1 261 . 1 1 28 28 ARG C C 13 177.480 0.000 . 1 . . . . 28 ARG C . 19472 1 262 . 1 1 28 28 ARG CA C 13 57.562 0.035 . 1 . . . . 28 ARG CA . 19472 1 263 . 1 1 28 28 ARG CB C 13 30.619 0.015 . 1 . . . . 28 ARG CB . 19472 1 264 . 1 1 28 28 ARG N N 15 116.960 0.103 . 1 . . . . 28 ARG N . 19472 1 265 . 1 1 29 29 VAL H H 1 7.180 0.011 . 1 . . . . 29 VAL H . 19472 1 266 . 1 1 29 29 VAL HA H 1 3.952 0.004 . 1 . . . . 29 VAL HA . 19472 1 267 . 1 1 29 29 VAL HB H 1 1.500 0.006 . 1 . . . . 29 VAL HB . 19472 1 268 . 1 1 29 29 VAL HG11 H 1 0.668 0.006 . 2 . . . . 29 VAL HG11 . 19472 1 269 . 1 1 29 29 VAL HG12 H 1 0.668 0.006 . 2 . . . . 29 VAL HG12 . 19472 1 270 . 1 1 29 29 VAL HG13 H 1 0.668 0.006 . 2 . . . . 29 VAL HG13 . 19472 1 271 . 1 1 29 29 VAL HG21 H 1 0.213 0.004 . 2 . . . . 29 VAL HG21 . 19472 1 272 . 1 1 29 29 VAL HG22 H 1 0.213 0.004 . 2 . . . . 29 VAL HG22 . 19472 1 273 . 1 1 29 29 VAL HG23 H 1 0.213 0.004 . 2 . . . . 29 VAL HG23 . 19472 1 274 . 1 1 29 29 VAL C C 13 176.045 0.000 . 1 . . . . 29 VAL C . 19472 1 275 . 1 1 29 29 VAL CA C 13 63.873 0.033 . 1 . . . . 29 VAL CA . 19472 1 276 . 1 1 29 29 VAL CB C 13 33.379 0.064 . 1 . . . . 29 VAL CB . 19472 1 277 . 1 1 29 29 VAL N N 15 117.398 0.084 . 1 . . . . 29 VAL N . 19472 1 278 . 1 1 30 30 PHE H H 1 8.195 0.005 . 1 . . . . 30 PHE H . 19472 1 279 . 1 1 30 30 PHE HA H 1 5.168 0.008 . 1 . . . . 30 PHE HA . 19472 1 280 . 1 1 30 30 PHE HB2 H 1 2.550 0.011 . 2 . . . . 30 PHE HB2 . 19472 1 281 . 1 1 30 30 PHE HB3 H 1 3.147 0.012 . 2 . . . . 30 PHE HB3 . 19472 1 282 . 1 1 30 30 PHE HD1 H 1 6.838 0.007 . 3 . . . . 30 PHE HD1 . 19472 1 283 . 1 1 30 30 PHE HD2 H 1 6.838 0.007 . 3 . . . . 30 PHE HD2 . 19472 1 284 . 1 1 30 30 PHE HE1 H 1 7.152 0.013 . 3 . . . . 30 PHE HE1 . 19472 1 285 . 1 1 30 30 PHE HE2 H 1 7.152 0.013 . 3 . . . . 30 PHE HE2 . 19472 1 286 . 1 1 30 30 PHE HZ H 1 7.121 0.008 . 1 . . . . 30 PHE HZ . 19472 1 287 . 1 1 30 30 PHE C C 13 176.539 0.000 . 1 . . . . 30 PHE C . 19472 1 288 . 1 1 30 30 PHE CA C 13 54.782 0.039 . 1 . . . . 30 PHE CA . 19472 1 289 . 1 1 30 30 PHE CB C 13 39.442 0.051 . 1 . . . . 30 PHE CB . 19472 1 290 . 1 1 30 30 PHE N N 15 123.330 0.036 . 1 . . . . 30 PHE N . 19472 1 291 . 1 1 31 31 HIS H H 1 7.684 0.005 . 1 . . . . 31 HIS H . 19472 1 292 . 1 1 31 31 HIS HA H 1 3.734 0.006 . 1 . . . . 31 HIS HA . 19472 1 293 . 1 1 31 31 HIS HB2 H 1 3.148 0.006 . 2 . . . . 31 HIS HB2 . 19472 1 294 . 1 1 31 31 HIS HB3 H 1 3.494 0.007 . 2 . . . . 31 HIS HB3 . 19472 1 295 . 1 1 31 31 HIS HD1 H 1 11.623 0.003 . 1 . . . . 31 HIS HD1 . 19472 1 296 . 1 1 31 31 HIS HD2 H 1 7.195 0.011 . 1 . . . . 31 HIS HD2 . 19472 1 297 . 1 1 31 31 HIS HE1 H 1 7.674 0.004 . 1 . . . . 31 HIS HE1 . 19472 1 298 . 1 1 31 31 HIS C C 13 176.486 0.000 . 1 . . . . 31 HIS C . 19472 1 299 . 1 1 31 31 HIS CA C 13 63.361 0.039 . 1 . . . . 31 HIS CA . 19472 1 300 . 1 1 31 31 HIS CB C 13 29.467 0.030 . 1 . . . . 31 HIS CB . 19472 1 301 . 1 1 31 31 HIS N N 15 119.892 0.029 . 1 . . . . 31 HIS N . 19472 1 302 . 1 1 32 32 GLU H H 1 8.765 0.002 . 1 . . . . 32 GLU H . 19472 1 303 . 1 1 32 32 GLU HA H 1 4.187 0.006 . 1 . . . . 32 GLU HA . 19472 1 304 . 1 1 32 32 GLU HB2 H 1 2.213 0.014 . 2 . . . . 32 GLU HB2 . 19472 1 305 . 1 1 32 32 GLU HB3 H 1 2.234 0.013 . 2 . . . . 32 GLU HB3 . 19472 1 306 . 1 1 32 32 GLU HG2 H 1 2.563 0.011 . 2 . . . . 32 GLU HG2 . 19472 1 307 . 1 1 32 32 GLU HG3 H 1 2.564 0.009 . 2 . . . . 32 GLU HG3 . 19472 1 308 . 1 1 32 32 GLU C C 13 180.770 0.000 . 1 . . . . 32 GLU C . 19472 1 309 . 1 1 32 32 GLU CA C 13 60.722 0.057 . 1 . . . . 32 GLU CA . 19472 1 310 . 1 1 32 32 GLU CB C 13 29.253 0.002 . 1 . . . . 32 GLU CB . 19472 1 311 . 1 1 32 32 GLU N N 15 114.056 0.048 . 1 . . . . 32 GLU N . 19472 1 312 . 1 1 33 33 ASP H H 1 8.357 0.008 . 1 . . . . 33 ASP H . 19472 1 313 . 1 1 33 33 ASP HA H 1 4.683 0.009 . 1 . . . . 33 ASP HA . 19472 1 314 . 1 1 33 33 ASP HB2 H 1 2.885 0.021 . 2 . . . . 33 ASP HB2 . 19472 1 315 . 1 1 33 33 ASP HB3 H 1 2.925 0.025 . 2 . . . . 33 ASP HB3 . 19472 1 316 . 1 1 33 33 ASP C C 13 178.865 0.000 . 1 . . . . 33 ASP C . 19472 1 317 . 1 1 33 33 ASP CA C 13 56.896 0.035 . 1 . . . . 33 ASP CA . 19472 1 318 . 1 1 33 33 ASP CB C 13 41.271 0.025 . 1 . . . . 33 ASP CB . 19472 1 319 . 1 1 33 33 ASP N N 15 120.376 0.068 . 1 . . . . 33 ASP N . 19472 1 320 . 1 1 34 34 CYS H H 1 8.281 0.002 . 1 . . . . 34 CYS H . 19472 1 321 . 1 1 34 34 CYS HA H 1 4.563 0.010 . 1 . . . . 34 CYS HA . 19472 1 322 . 1 1 34 34 CYS HB2 H 1 2.640 0.012 . 2 . . . . 34 CYS HB2 . 19472 1 323 . 1 1 34 34 CYS HB3 H 1 3.294 0.010 . 2 . . . . 34 CYS HB3 . 19472 1 324 . 1 1 34 34 CYS C C 13 174.431 0.000 . 1 . . . . 34 CYS C . 19472 1 325 . 1 1 34 34 CYS CA C 13 59.183 0.061 . 1 . . . . 34 CYS CA . 19472 1 326 . 1 1 34 34 CYS CB C 13 42.809 0.060 . 1 . . . . 34 CYS CB . 19472 1 327 . 1 1 34 34 CYS N N 15 116.785 0.047 . 1 . . . . 34 CYS N . 19472 1 328 . 1 1 35 35 HIS H H 1 7.736 0.005 . 1 . . . . 35 HIS H . 19472 1 329 . 1 1 35 35 HIS HA H 1 5.297 0.009 . 1 . . . . 35 HIS HA . 19472 1 330 . 1 1 35 35 HIS HB2 H 1 3.375 0.007 . 2 . . . . 35 HIS HB2 . 19472 1 331 . 1 1 35 35 HIS HB3 H 1 3.585 0.005 . 2 . . . . 35 HIS HB3 . 19472 1 332 . 1 1 35 35 HIS HD1 H 1 11.401 0.006 . 1 . . . . 35 HIS HD1 . 19472 1 333 . 1 1 35 35 HIS HD2 H 1 6.837 0.010 . 1 . . . . 35 HIS HD2 . 19472 1 334 . 1 1 35 35 HIS HE1 H 1 7.902 0.008 . 1 . . . . 35 HIS HE1 . 19472 1 335 . 1 1 35 35 HIS C C 13 174.507 0.000 . 1 . . . . 35 HIS C . 19472 1 336 . 1 1 35 35 HIS CA C 13 56.309 0.059 . 1 . . . . 35 HIS CA . 19472 1 337 . 1 1 35 35 HIS CB C 13 30.007 0.039 . 1 . . . . 35 HIS CB . 19472 1 338 . 1 1 35 35 HIS N N 15 117.514 0.035 . 1 . . . . 35 HIS N . 19472 1 339 . 1 1 36 36 ILE H H 1 7.721 0.006 . 1 . . . . 36 ILE H . 19472 1 340 . 1 1 36 36 ILE HA H 1 4.541 0.011 . 1 . . . . 36 ILE HA . 19472 1 341 . 1 1 36 36 ILE HB H 1 2.143 0.004 . 1 . . . . 36 ILE HB . 19472 1 342 . 1 1 36 36 ILE HG12 H 1 1.797 0.012 . 2 . . . . 36 ILE HG12 . 19472 1 343 . 1 1 36 36 ILE HG13 H 1 1.324 0.012 . 2 . . . . 36 ILE HG13 . 19472 1 344 . 1 1 36 36 ILE HG21 H 1 0.940 0.016 . 1 . . . . 36 ILE HG21 . 19472 1 345 . 1 1 36 36 ILE HG22 H 1 0.940 0.016 . 1 . . . . 36 ILE HG22 . 19472 1 346 . 1 1 36 36 ILE HG23 H 1 0.940 0.016 . 1 . . . . 36 ILE HG23 . 19472 1 347 . 1 1 36 36 ILE HD11 H 1 0.996 0.013 . 1 . . . . 36 ILE HD11 . 19472 1 348 . 1 1 36 36 ILE HD12 H 1 0.996 0.013 . 1 . . . . 36 ILE HD12 . 19472 1 349 . 1 1 36 36 ILE HD13 H 1 0.996 0.013 . 1 . . . . 36 ILE HD13 . 19472 1 350 . 1 1 36 36 ILE CA C 13 58.841 0.147 . 1 . . . . 36 ILE CA . 19472 1 351 . 1 1 36 36 ILE CB C 13 37.800 0.021 . 1 . . . . 36 ILE CB . 19472 1 352 . 1 1 36 36 ILE N N 15 125.647 0.076 . 1 . . . . 36 ILE N . 19472 1 353 . 1 1 37 37 PRO HA H 1 4.996 0.004 . 1 . . . . 37 PRO HA . 19472 1 354 . 1 1 37 37 PRO HB2 H 1 2.486 0.006 . 2 . . . . 37 PRO HB2 . 19472 1 355 . 1 1 37 37 PRO HB3 H 1 2.011 0.004 . 2 . . . . 37 PRO HB3 . 19472 1 356 . 1 1 37 37 PRO HG2 H 1 2.026 0.006 . 2 . . . . 37 PRO HG2 . 19472 1 357 . 1 1 37 37 PRO HG3 H 1 1.888 0.011 . 2 . . . . 37 PRO HG3 . 19472 1 358 . 1 1 37 37 PRO HD2 H 1 3.677 0.032 . 2 . . . . 37 PRO HD2 . 19472 1 359 . 1 1 37 37 PRO HD3 H 1 3.608 0.024 . 2 . . . . 37 PRO HD3 . 19472 1 360 . 1 1 37 37 PRO CA C 13 63.247 0.048 . 1 . . . . 37 PRO CA . 19472 1 361 . 1 1 37 37 PRO CB C 13 35.070 0.030 . 1 . . . . 37 PRO CB . 19472 1 362 . 1 1 38 38 PRO HA H 1 4.427 0.005 . 1 . . . . 38 PRO HA . 19472 1 363 . 1 1 38 38 PRO HB2 H 1 2.157 0.002 . 2 . . . . 38 PRO HB2 . 19472 1 364 . 1 1 38 38 PRO HB3 H 1 2.157 0.003 . 2 . . . . 38 PRO HB3 . 19472 1 365 . 1 1 38 38 PRO HG2 H 1 1.798 0.014 . 2 . . . . 38 PRO HG2 . 19472 1 366 . 1 1 38 38 PRO HG3 H 1 1.827 0.015 . 2 . . . . 38 PRO HG3 . 19472 1 367 . 1 1 38 38 PRO HD2 H 1 3.058 0.006 . 2 . . . . 38 PRO HD2 . 19472 1 368 . 1 1 38 38 PRO HD3 H 1 2.884 0.016 . 2 . . . . 38 PRO HD3 . 19472 1 369 . 1 1 38 38 PRO C C 13 177.005 0.000 . 1 . . . . 38 PRO C . 19472 1 370 . 1 1 38 38 PRO CA C 13 61.854 0.020 . 1 . . . . 38 PRO CA . 19472 1 371 . 1 1 38 38 PRO CB C 13 32.188 0.021 . 1 . . . . 38 PRO CB . 19472 1 372 . 1 1 39 39 VAL H H 1 8.300 0.011 . 1 . . . . 39 VAL H . 19472 1 373 . 1 1 39 39 VAL HA H 1 3.988 0.005 . 1 . . . . 39 VAL HA . 19472 1 374 . 1 1 39 39 VAL HB H 1 2.140 0.009 . 1 . . . . 39 VAL HB . 19472 1 375 . 1 1 39 39 VAL HG11 H 1 0.984 0.007 . 2 . . . . 39 VAL HG11 . 19472 1 376 . 1 1 39 39 VAL HG12 H 1 0.984 0.007 . 2 . . . . 39 VAL HG12 . 19472 1 377 . 1 1 39 39 VAL HG13 H 1 0.984 0.007 . 2 . . . . 39 VAL HG13 . 19472 1 378 . 1 1 39 39 VAL HG21 H 1 0.983 0.007 . 2 . . . . 39 VAL HG21 . 19472 1 379 . 1 1 39 39 VAL HG22 H 1 0.983 0.007 . 2 . . . . 39 VAL HG22 . 19472 1 380 . 1 1 39 39 VAL HG23 H 1 0.983 0.007 . 2 . . . . 39 VAL HG23 . 19472 1 381 . 1 1 39 39 VAL C C 13 176.915 0.000 . 1 . . . . 39 VAL C . 19472 1 382 . 1 1 39 39 VAL CA C 13 63.092 0.036 . 1 . . . . 39 VAL CA . 19472 1 383 . 1 1 39 39 VAL CB C 13 31.948 0.098 . 1 . . . . 39 VAL CB . 19472 1 384 . 1 1 39 39 VAL N N 15 120.124 0.097 . 1 . . . . 39 VAL N . 19472 1 385 . 1 1 40 40 GLU H H 1 8.450 0.013 . 1 . . . . 40 GLU H . 19472 1 386 . 1 1 40 40 GLU HA H 1 4.139 0.011 . 1 . . . . 40 GLU HA . 19472 1 387 . 1 1 40 40 GLU HB2 H 1 2.033 0.024 . 2 . . . . 40 GLU HB2 . 19472 1 388 . 1 1 40 40 GLU HB3 H 1 2.022 0.018 . 2 . . . . 40 GLU HB3 . 19472 1 389 . 1 1 40 40 GLU HG2 H 1 2.271 0.003 . 2 . . . . 40 GLU HG2 . 19472 1 390 . 1 1 40 40 GLU HG3 H 1 2.276 0.000 . 2 . . . . 40 GLU HG3 . 19472 1 391 . 1 1 40 40 GLU C C 13 176.909 0.000 . 1 . . . . 40 GLU C . 19472 1 392 . 1 1 40 40 GLU CA C 13 57.652 0.029 . 1 . . . . 40 GLU CA . 19472 1 393 . 1 1 40 40 GLU CB C 13 29.751 0.102 . 1 . . . . 40 GLU CB . 19472 1 394 . 1 1 40 40 GLU N N 15 123.144 0.108 . 1 . . . . 40 GLU N . 19472 1 395 . 1 1 41 41 ALA H H 1 8.317 0.012 . 1 . . . . 41 ALA H . 19472 1 396 . 1 1 41 41 ALA HA H 1 4.215 0.002 . 1 . . . . 41 ALA HA . 19472 1 397 . 1 1 41 41 ALA HB1 H 1 1.430 0.004 . 1 . . . . 41 ALA HB1 . 19472 1 398 . 1 1 41 41 ALA HB2 H 1 1.430 0.004 . 1 . . . . 41 ALA HB2 . 19472 1 399 . 1 1 41 41 ALA HB3 H 1 1.430 0.004 . 1 . . . . 41 ALA HB3 . 19472 1 400 . 1 1 41 41 ALA C C 13 177.980 0.000 . 1 . . . . 41 ALA C . 19472 1 401 . 1 1 41 41 ALA CA C 13 53.549 0.039 . 1 . . . . 41 ALA CA . 19472 1 402 . 1 1 41 41 ALA CB C 13 19.117 0.044 . 1 . . . . 41 ALA CB . 19472 1 403 . 1 1 41 41 ALA N N 15 123.246 0.094 . 1 . . . . 41 ALA N . 19472 1 404 . 1 1 42 42 GLU H H 1 8.217 0.003 . 1 . . . . 42 GLU H . 19472 1 405 . 1 1 42 42 GLU HA H 1 4.339 0.009 . 1 . . . . 42 GLU HA . 19472 1 406 . 1 1 42 42 GLU HB2 H 1 1.920 0.025 . 2 . . . . 42 GLU HB2 . 19472 1 407 . 1 1 42 42 GLU HB3 H 1 1.932 0.010 . 2 . . . . 42 GLU HB3 . 19472 1 408 . 1 1 42 42 GLU HG2 H 1 2.231 0.008 . 2 . . . . 42 GLU HG2 . 19472 1 409 . 1 1 42 42 GLU HG3 H 1 2.231 0.009 . 2 . . . . 42 GLU HG3 . 19472 1 410 . 1 1 42 42 GLU C C 13 176.299 0.000 . 1 . . . . 42 GLU C . 19472 1 411 . 1 1 42 42 GLU CA C 13 56.201 0.059 . 1 . . . . 42 GLU CA . 19472 1 412 . 1 1 42 42 GLU CB C 13 30.193 0.009 . 1 . . . . 42 GLU CB . 19472 1 413 . 1 1 42 42 GLU N N 15 117.800 0.062 . 1 . . . . 42 GLU N . 19472 1 414 . 1 1 43 43 ARG H H 1 8.098 0.017 . 1 . . . . 43 ARG H . 19472 1 415 . 1 1 43 43 ARG HA H 1 4.356 0.010 . 1 . . . . 43 ARG HA . 19472 1 416 . 1 1 43 43 ARG HB2 H 1 1.897 0.025 . 2 . . . . 43 ARG HB2 . 19472 1 417 . 1 1 43 43 ARG HB3 H 1 1.819 0.016 . 2 . . . . 43 ARG HB3 . 19472 1 418 . 1 1 43 43 ARG HG2 H 1 1.655 0.022 . 2 . . . . 43 ARG HG2 . 19472 1 419 . 1 1 43 43 ARG HG3 H 1 1.608 0.015 . 2 . . . . 43 ARG HG3 . 19472 1 420 . 1 1 43 43 ARG HD2 H 1 3.231 0.003 . 2 . . . . 43 ARG HD2 . 19472 1 421 . 1 1 43 43 ARG HD3 H 1 3.229 0.004 . 2 . . . . 43 ARG HD3 . 19472 1 422 . 1 1 43 43 ARG C C 13 176.096 0.000 . 1 . . . . 43 ARG C . 19472 1 423 . 1 1 43 43 ARG CA C 13 56.358 0.019 . 1 . . . . 43 ARG CA . 19472 1 424 . 1 1 43 43 ARG CB C 13 30.335 0.071 . 1 . . . . 43 ARG CB . 19472 1 425 . 1 1 43 43 ARG N N 15 121.982 0.059 . 1 . . . . 43 ARG N . 19472 1 426 . 1 1 44 44 THR H H 1 8.129 0.004 . 1 . . . . 44 THR H . 19472 1 427 . 1 1 44 44 THR HA H 1 4.567 0.007 . 1 . . . . 44 THR HA . 19472 1 428 . 1 1 44 44 THR HB H 1 3.776 0.016 . 1 . . . . 44 THR HB . 19472 1 429 . 1 1 44 44 THR HG21 H 1 1.174 0.008 . 1 . . . . 44 THR HG21 . 19472 1 430 . 1 1 44 44 THR HG22 H 1 1.174 0.008 . 1 . . . . 44 THR HG22 . 19472 1 431 . 1 1 44 44 THR HG23 H 1 1.174 0.008 . 1 . . . . 44 THR HG23 . 19472 1 432 . 1 1 44 44 THR CA C 13 59.197 0.023 . 1 . . . . 44 THR CA . 19472 1 433 . 1 1 44 44 THR CB C 13 69.627 0.030 . 1 . . . . 44 THR CB . 19472 1 434 . 1 1 44 44 THR N N 15 116.808 0.052 . 1 . . . . 44 THR N . 19472 1 435 . 1 1 45 45 PRO HA H 1 4.362 0.007 . 1 . . . . 45 PRO HA . 19472 1 436 . 1 1 45 45 PRO HB2 H 1 2.213 0.016 . 2 . . . . 45 PRO HB2 . 19472 1 437 . 1 1 45 45 PRO HB3 H 1 1.713 0.007 . 2 . . . . 45 PRO HB3 . 19472 1 438 . 1 1 45 45 PRO HG2 H 1 1.894 0.012 . 2 . . . . 45 PRO HG2 . 19472 1 439 . 1 1 45 45 PRO HG3 H 1 1.886 0.013 . 2 . . . . 45 PRO HG3 . 19472 1 440 . 1 1 45 45 PRO HD2 H 1 3.316 0.017 . 2 . . . . 45 PRO HD2 . 19472 1 441 . 1 1 45 45 PRO HD3 H 1 3.713 0.011 . 2 . . . . 45 PRO HD3 . 19472 1 442 . 1 1 45 45 PRO C C 13 177.594 0.000 . 1 . . . . 45 PRO C . 19472 1 443 . 1 1 45 45 PRO CA C 13 63.849 0.016 . 1 . . . . 45 PRO CA . 19472 1 444 . 1 1 45 45 PRO CB C 13 31.608 0.027 . 1 . . . . 45 PRO CB . 19472 1 445 . 1 1 46 46 TRP H H 1 7.553 0.012 . 1 . . . . 46 TRP H . 19472 1 446 . 1 1 46 46 TRP HA H 1 4.699 0.008 . 1 . . . . 46 TRP HA . 19472 1 447 . 1 1 46 46 TRP HB2 H 1 3.350 0.014 . 2 . . . . 46 TRP HB2 . 19472 1 448 . 1 1 46 46 TRP HB3 H 1 3.362 0.015 . 2 . . . . 46 TRP HB3 . 19472 1 449 . 1 1 46 46 TRP HD1 H 1 7.296 0.020 . 1 . . . . 46 TRP HD1 . 19472 1 450 . 1 1 46 46 TRP HE1 H 1 10.310 0.003 . 1 . . . . 46 TRP HE1 . 19472 1 451 . 1 1 46 46 TRP HE3 H 1 7.624 0.004 . 1 . . . . 46 TRP HE3 . 19472 1 452 . 1 1 46 46 TRP HZ2 H 1 7.523 0.007 . 1 . . . . 46 TRP HZ2 . 19472 1 453 . 1 1 46 46 TRP HZ3 H 1 7.195 0.005 . 1 . . . . 46 TRP HZ3 . 19472 1 454 . 1 1 46 46 TRP HH2 H 1 7.228 0.004 . 1 . . . . 46 TRP HH2 . 19472 1 455 . 1 1 46 46 TRP C C 13 175.728 0.000 . 1 . . . . 46 TRP C . 19472 1 456 . 1 1 46 46 TRP CA C 13 57.098 0.031 . 1 . . . . 46 TRP CA . 19472 1 457 . 1 1 46 46 TRP CB C 13 29.161 0.037 . 1 . . . . 46 TRP CB . 19472 1 458 . 1 1 46 46 TRP N N 15 117.832 0.075 . 1 . . . . 46 TRP N . 19472 1 459 . 1 1 47 47 ASN H H 1 7.897 0.007 . 1 . . . . 47 ASN H . 19472 1 460 . 1 1 47 47 ASN HA H 1 4.605 0.007 . 1 . . . . 47 ASN HA . 19472 1 461 . 1 1 47 47 ASN HB2 H 1 2.811 0.013 . 2 . . . . 47 ASN HB2 . 19472 1 462 . 1 1 47 47 ASN HB3 H 1 2.650 0.011 . 2 . . . . 47 ASN HB3 . 19472 1 463 . 1 1 47 47 ASN HD21 H 1 6.978 0.014 . 1 . . . . 47 ASN HD21 . 19472 1 464 . 1 1 47 47 ASN HD22 H 1 7.594 0.018 . 1 . . . . 47 ASN HD22 . 19472 1 465 . 1 1 47 47 ASN C C 13 175.760 0.000 . 1 . . . . 47 ASN C . 19472 1 466 . 1 1 47 47 ASN CA C 13 53.345 0.030 . 1 . . . . 47 ASN CA . 19472 1 467 . 1 1 47 47 ASN CB C 13 39.637 0.018 . 1 . . . . 47 ASN CB . 19472 1 468 . 1 1 47 47 ASN N N 15 120.460 0.060 . 1 . . . . 47 ASN N . 19472 1 469 . 1 1 48 48 CYS H H 1 7.989 0.012 . 1 . . . . 48 CYS H . 19472 1 470 . 1 1 48 48 CYS HA H 1 4.742 0.008 . 1 . . . . 48 CYS HA . 19472 1 471 . 1 1 48 48 CYS HB2 H 1 3.094 0.014 . 2 . . . . 48 CYS HB2 . 19472 1 472 . 1 1 48 48 CYS HB3 H 1 3.184 0.020 . 2 . . . . 48 CYS HB3 . 19472 1 473 . 1 1 48 48 CYS C C 13 176.395 0.000 . 1 . . . . 48 CYS C . 19472 1 474 . 1 1 48 48 CYS CA C 13 58.906 0.058 . 1 . . . . 48 CYS CA . 19472 1 475 . 1 1 48 48 CYS CB C 13 30.932 0.011 . 1 . . . . 48 CYS CB . 19472 1 476 . 1 1 48 48 CYS N N 15 122.391 0.104 . 1 . . . . 48 CYS N . 19472 1 477 . 1 1 49 49 ILE H H 1 8.145 0.006 . 1 . . . . 49 ILE H . 19472 1 478 . 1 1 49 49 ILE HA H 1 3.833 0.006 . 1 . . . . 49 ILE HA . 19472 1 479 . 1 1 49 49 ILE HB H 1 1.629 0.007 . 1 . . . . 49 ILE HB . 19472 1 480 . 1 1 49 49 ILE HG13 H 1 1.170 0.007 . 1 . . . . 49 ILE HG13 . 19472 1 481 . 1 1 49 49 ILE HG21 H 1 0.647 0.004 . 1 . . . . 49 ILE HG21 . 19472 1 482 . 1 1 49 49 ILE HG22 H 1 0.647 0.004 . 1 . . . . 49 ILE HG22 . 19472 1 483 . 1 1 49 49 ILE HG23 H 1 0.647 0.004 . 1 . . . . 49 ILE HG23 . 19472 1 484 . 1 1 49 49 ILE HD11 H 1 0.807 0.007 . 1 . . . . 49 ILE HD11 . 19472 1 485 . 1 1 49 49 ILE HD12 H 1 0.807 0.007 . 1 . . . . 49 ILE HD12 . 19472 1 486 . 1 1 49 49 ILE HD13 H 1 0.807 0.007 . 1 . . . . 49 ILE HD13 . 19472 1 487 . 1 1 49 49 ILE C C 13 176.479 0.000 . 1 . . . . 49 ILE C . 19472 1 488 . 1 1 49 49 ILE CA C 13 64.706 0.042 . 1 . . . . 49 ILE CA . 19472 1 489 . 1 1 49 49 ILE CB C 13 39.050 0.026 . 1 . . . . 49 ILE CB . 19472 1 490 . 1 1 49 49 ILE N N 15 125.759 0.042 . 1 . . . . 49 ILE N . 19472 1 491 . 1 1 50 50 PHE H H 1 8.438 0.002 . 1 . . . . 50 PHE H . 19472 1 492 . 1 1 50 50 PHE HA H 1 4.610 0.014 . 1 . . . . 50 PHE HA . 19472 1 493 . 1 1 50 50 PHE HB2 H 1 3.570 0.007 . 2 . . . . 50 PHE HB2 . 19472 1 494 . 1 1 50 50 PHE HB3 H 1 3.234 0.017 . 2 . . . . 50 PHE HB3 . 19472 1 495 . 1 1 50 50 PHE HD1 H 1 7.183 0.012 . 3 . . . . 50 PHE HD1 . 19472 1 496 . 1 1 50 50 PHE HD2 H 1 7.183 0.012 . 3 . . . . 50 PHE HD2 . 19472 1 497 . 1 1 50 50 PHE HE1 H 1 7.055 0.012 . 3 . . . . 50 PHE HE1 . 19472 1 498 . 1 1 50 50 PHE HE2 H 1 7.055 0.012 . 3 . . . . 50 PHE HE2 . 19472 1 499 . 1 1 50 50 PHE HZ H 1 7.055 0.014 . 1 . . . . 50 PHE HZ . 19472 1 500 . 1 1 50 50 PHE C C 13 178.199 0.000 . 1 . . . . 50 PHE C . 19472 1 501 . 1 1 50 50 PHE CA C 13 61.091 0.059 . 1 . . . . 50 PHE CA . 19472 1 502 . 1 1 50 50 PHE CB C 13 41.681 0.025 . 1 . . . . 50 PHE CB . 19472 1 503 . 1 1 50 50 PHE N N 15 121.788 0.055 . 1 . . . . 50 PHE N . 19472 1 504 . 1 1 51 51 CYS H H 1 8.708 0.005 . 1 . . . . 51 CYS H . 19472 1 505 . 1 1 51 51 CYS HA H 1 4.364 0.011 . 1 . . . . 51 CYS HA . 19472 1 506 . 1 1 51 51 CYS HB2 H 1 3.014 0.025 . 2 . . . . 51 CYS HB2 . 19472 1 507 . 1 1 51 51 CYS HB3 H 1 3.030 0.019 . 2 . . . . 51 CYS HB3 . 19472 1 508 . 1 1 51 51 CYS C C 13 176.938 0.000 . 1 . . . . 51 CYS C . 19472 1 509 . 1 1 51 51 CYS CA C 13 63.792 0.072 . 1 . . . . 51 CYS CA . 19472 1 510 . 1 1 51 51 CYS CB C 13 30.825 0.004 . 1 . . . . 51 CYS CB . 19472 1 511 . 1 1 51 51 CYS N N 15 125.111 0.037 . 1 . . . . 51 CYS N . 19472 1 512 . 1 1 52 52 ARG H H 1 7.942 0.004 . 1 . . . . 52 ARG H . 19472 1 513 . 1 1 52 52 ARG HA H 1 4.159 0.008 . 1 . . . . 52 ARG HA . 19472 1 514 . 1 1 52 52 ARG HB2 H 1 1.802 0.001 . 2 . . . . 52 ARG HB2 . 19472 1 515 . 1 1 52 52 ARG HB3 H 1 1.808 0.012 . 2 . . . . 52 ARG HB3 . 19472 1 516 . 1 1 52 52 ARG HG2 H 1 1.482 0.008 . 2 . . . . 52 ARG HG2 . 19472 1 517 . 1 1 52 52 ARG HG3 H 1 1.481 0.008 . 2 . . . . 52 ARG HG3 . 19472 1 518 . 1 1 52 52 ARG HD2 H 1 3.031 0.003 . 2 . . . . 52 ARG HD2 . 19472 1 519 . 1 1 52 52 ARG HD3 H 1 3.030 0.005 . 2 . . . . 52 ARG HD3 . 19472 1 520 . 1 1 52 52 ARG C C 13 176.497 0.000 . 1 . . . . 52 ARG C . 19472 1 521 . 1 1 52 52 ARG CA C 13 56.932 0.022 . 1 . . . . 52 ARG CA . 19472 1 522 . 1 1 52 52 ARG CB C 13 29.460 0.034 . 1 . . . . 52 ARG CB . 19472 1 523 . 1 1 52 52 ARG N N 15 117.942 0.038 . 1 . . . . 52 ARG N . 19472 1 524 . 1 1 53 53 MET H H 1 7.846 0.004 . 1 . . . . 53 MET H . 19472 1 525 . 1 1 53 53 MET HA H 1 4.386 0.018 . 1 . . . . 53 MET HA . 19472 1 526 . 1 1 53 53 MET HB2 H 1 2.548 0.002 . 2 . . . . 53 MET HB2 . 19472 1 527 . 1 1 53 53 MET HB3 H 1 2.650 0.006 . 2 . . . . 53 MET HB3 . 19472 1 528 . 1 1 53 53 MET HG2 H 1 2.079 0.018 . 2 . . . . 53 MET HG2 . 19472 1 529 . 1 1 53 53 MET HG3 H 1 2.141 0.016 . 2 . . . . 53 MET HG3 . 19472 1 530 . 1 1 53 53 MET CA C 13 56.025 0.033 . 1 . . . . 53 MET CA . 19472 1 531 . 1 1 53 53 MET CB C 13 32.662 0.011 . 1 . . . . 53 MET CB . 19472 1 532 . 1 1 53 53 MET N N 15 119.526 0.042 . 1 . . . . 53 MET N . 19472 1 533 . 1 1 54 54 LYS H H 1 8.038 0.016 . 1 . . . . 54 LYS H . 19472 1 534 . 1 1 54 54 LYS HA H 1 4.419 0.019 . 1 . . . . 54 LYS HA . 19472 1 535 . 1 1 54 54 LYS HB2 H 1 1.964 0.017 . 2 . . . . 54 LYS HB2 . 19472 1 536 . 1 1 54 54 LYS HB3 H 1 1.892 0.017 . 2 . . . . 54 LYS HB3 . 19472 1 537 . 1 1 54 54 LYS HG2 H 1 1.555 0.018 . 2 . . . . 54 LYS HG2 . 19472 1 538 . 1 1 54 54 LYS HG3 H 1 1.528 0.015 . 2 . . . . 54 LYS HG3 . 19472 1 539 . 1 1 54 54 LYS HD3 H 1 1.785 0.014 . 1 . . . . 54 LYS HD3 . 19472 1 540 . 1 1 54 54 LYS HE3 H 1 3.071 0.009 . 1 . . . . 54 LYS HE3 . 19472 1 541 . 1 1 54 54 LYS C C 13 176.509 0.000 . 1 . . . . 54 LYS C . 19472 1 542 . 1 1 54 54 LYS CA C 13 56.526 0.153 . 1 . . . . 54 LYS CA . 19472 1 543 . 1 1 54 54 LYS CB C 13 33.308 0.024 . 1 . . . . 54 LYS CB . 19472 1 544 . 1 1 54 54 LYS N N 15 121.910 0.083 . 1 . . . . 54 LYS N . 19472 1 545 . 1 1 55 55 GLU H H 1 8.379 0.015 . 1 . . . . 55 GLU H . 19472 1 546 . 1 1 55 55 GLU HA H 1 4.400 0.016 . 1 . . . . 55 GLU HA . 19472 1 547 . 1 1 55 55 GLU HB2 H 1 2.013 0.006 . 2 . . . . 55 GLU HB2 . 19472 1 548 . 1 1 55 55 GLU HB3 H 1 2.181 0.009 . 2 . . . . 55 GLU HB3 . 19472 1 549 . 1 1 55 55 GLU HG2 H 1 2.365 0.008 . 2 . . . . 55 GLU HG2 . 19472 1 550 . 1 1 55 55 GLU HG3 H 1 2.348 0.018 . 2 . . . . 55 GLU HG3 . 19472 1 551 . 1 1 55 55 GLU C C 13 175.746 0.000 . 1 . . . . 55 GLU C . 19472 1 552 . 1 1 55 55 GLU CA C 13 56.634 0.112 . 1 . . . . 55 GLU CA . 19472 1 553 . 1 1 55 55 GLU CB C 13 30.451 0.057 . 1 . . . . 55 GLU CB . 19472 1 554 . 1 1 55 55 GLU N N 15 122.834 0.071 . 1 . . . . 55 GLU N . 19472 1 555 . 1 1 56 56 SER H H 1 8.014 0.014 . 1 . . . . 56 SER H . 19472 1 556 . 1 1 56 56 SER HA H 1 4.323 0.004 . 1 . . . . 56 SER HA . 19472 1 557 . 1 1 56 56 SER HB3 H 1 3.916 0.008 . 1 . . . . 56 SER HB3 . 19472 1 558 . 1 1 56 56 SER CA C 13 60.049 0.032 . 1 . . . . 56 SER CA . 19472 1 559 . 1 1 56 56 SER CB C 13 64.807 0.005 . 1 . . . . 56 SER CB . 19472 1 560 . 1 1 56 56 SER N N 15 122.853 0.070 . 1 . . . . 56 SER N . 19472 1 stop_ save_