################################### # 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 15811 _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 '3D HNCO' . . . 15811 1 2 '3D CBCA(CO)NH' . . . 15811 1 3 '3D HNCACB' . . . 15811 1 4 '3D HN(CO)CA' . . . 15811 1 5 '3D HNCA' . . . 15811 1 6 '3D C(CO)NH' . . . 15811 1 7 '3D H(CCO)NH' . . . 15811 1 8 '3D HBHA(CO)NH' . . . 15811 1 9 '3D HCCH-TOCSY' . . . 15811 1 10 '3D CCH-TOCSY' . . . 15811 1 11 '3D 1H-15N NOESY' . . . 15811 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 $AutoAssign . . 15811 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.396 0.03 . 1 . . . . . 1 MET H . 15811 1 2 . 1 1 1 1 MET HA H 1 4.256 0.03 . 1 . . . . . 1 MET HA . 15811 1 3 . 1 1 1 1 MET HB2 H 1 2.026 0.03 . 2 . . . . . 1 MET HB2 . 15811 1 4 . 1 1 1 1 MET HB3 H 1 1.928 0.03 . 2 . . . . . 1 MET HB3 . 15811 1 5 . 1 1 1 1 MET HE1 H 1 2.021 0.03 . 1 . . . . . 1 MET HE . 15811 1 6 . 1 1 1 1 MET HE2 H 1 2.021 0.03 . 1 . . . . . 1 MET HE . 15811 1 7 . 1 1 1 1 MET HE3 H 1 2.021 0.03 . 1 . . . . . 1 MET HE . 15811 1 8 . 1 1 1 1 MET HG2 H 1 2.302 0.03 . 2 . . . . . 1 MET HG2 . 15811 1 9 . 1 1 1 1 MET HG3 H 1 2.302 0.03 . 2 . . . . . 1 MET HG3 . 15811 1 10 . 1 1 1 1 MET C C 13 175.790 0.3 . 1 . . . . . 1 MET C . 15811 1 11 . 1 1 1 1 MET CA C 13 55.820 0.3 . 1 . . . . . 1 MET CA . 15811 1 12 . 1 1 1 1 MET CB C 13 29.500 0.3 . 1 . . . . . 1 MET CB . 15811 1 13 . 1 1 1 1 MET CE C 13 16.990 0.3 . 1 . . . . . 1 MET CE . 15811 1 14 . 1 1 1 1 MET CG C 13 33.590 0.3 . 1 . . . . . 1 MET CG . 15811 1 15 . 1 1 1 1 MET N N 15 122.134 0.3 . 1 . . . . . 1 MET N . 15811 1 16 . 1 1 2 2 GLN H H 1 8.326 0.03 . 1 . . . . . 2 GLN H . 15811 1 17 . 1 1 2 2 GLN HA H 1 4.252 0.03 . 1 . . . . . 2 GLN HA . 15811 1 18 . 1 1 2 2 GLN CA C 13 55.970 0.3 . 1 . . . . . 2 GLN CA . 15811 1 19 . 1 1 2 2 GLN CB C 13 29.990 0.3 . 1 . . . . . 2 GLN CB . 15811 1 20 . 1 1 2 2 GLN N N 15 123.332 0.3 . 1 . . . . . 2 GLN N . 15811 1 21 . 1 1 3 3 LYS HA H 1 4.229 0.03 . 1 . . . . . 3 LYS HA . 15811 1 22 . 1 1 3 3 LYS C C 13 176.404 0.3 . 1 . . . . . 3 LYS C . 15811 1 23 . 1 1 3 3 LYS CA C 13 56.570 0.3 . 1 . . . . . 3 LYS CA . 15811 1 24 . 1 1 3 3 LYS CB C 13 32.880 0.3 . 1 . . . . . 3 LYS CB . 15811 1 25 . 1 1 4 4 ARG H H 1 8.303 0.03 . 1 . . . . . 4 ARG H . 15811 1 26 . 1 1 4 4 ARG HA H 1 4.237 0.03 . 1 . . . . . 4 ARG HA . 15811 1 27 . 1 1 4 4 ARG HB2 H 1 1.746 0.03 . 2 . . . . . 4 ARG HB2 . 15811 1 28 . 1 1 4 4 ARG HB3 H 1 1.685 0.03 . 2 . . . . . 4 ARG HB3 . 15811 1 29 . 1 1 4 4 ARG HD2 H 1 3.101 0.03 . 2 . . . . . 4 ARG HD2 . 15811 1 30 . 1 1 4 4 ARG HD3 H 1 3.101 0.03 . 2 . . . . . 4 ARG HD3 . 15811 1 31 . 1 1 4 4 ARG HG2 H 1 1.544 0.03 . 2 . . . . . 4 ARG HG2 . 15811 1 32 . 1 1 4 4 ARG HG3 H 1 1.544 0.03 . 2 . . . . . 4 ARG HG3 . 15811 1 33 . 1 1 4 4 ARG C C 13 176.656 0.3 . 1 . . . . . 4 ARG C . 15811 1 34 . 1 1 4 4 ARG CA C 13 56.420 0.3 . 1 . . . . . 4 ARG CA . 15811 1 35 . 1 1 4 4 ARG CB C 13 30.910 0.3 . 1 . . . . . 4 ARG CB . 15811 1 36 . 1 1 4 4 ARG CD C 13 43.560 0.3 . 1 . . . . . 4 ARG CD . 15811 1 37 . 1 1 4 4 ARG CG C 13 26.960 0.3 . 1 . . . . . 4 ARG CG . 15811 1 38 . 1 1 4 4 ARG N N 15 122.770 0.3 . 1 . . . . . 4 ARG N . 15811 1 39 . 1 1 5 5 GLU H H 1 8.472 0.03 . 1 . . . . . 5 GLU H . 15811 1 40 . 1 1 5 5 GLU HA H 1 4.201 0.03 . 1 . . . . . 5 GLU HA . 15811 1 41 . 1 1 5 5 GLU HB2 H 1 1.906 0.03 . 2 . . . . . 5 GLU HB2 . 15811 1 42 . 1 1 5 5 GLU HB3 H 1 1.804 0.03 . 2 . . . . . 5 GLU HB3 . 15811 1 43 . 1 1 5 5 GLU HG2 H 1 2.174 0.03 . 2 . . . . . 5 GLU HG2 . 15811 1 44 . 1 1 5 5 GLU HG3 H 1 2.174 0.03 . 2 . . . . . 5 GLU HG3 . 15811 1 45 . 1 1 5 5 GLU C C 13 176.137 0.3 . 1 . . . . . 5 GLU C . 15811 1 46 . 1 1 5 5 GLU CA C 13 56.650 0.3 . 1 . . . . . 5 GLU CA . 15811 1 47 . 1 1 5 5 GLU CB C 13 30.400 0.3 . 1 . . . . . 5 GLU CB . 15811 1 48 . 1 1 5 5 GLU CG C 13 36.190 0.3 . 1 . . . . . 5 GLU CG . 15811 1 49 . 1 1 5 5 GLU N N 15 121.724 0.3 . 1 . . . . . 5 GLU N . 15811 1 50 . 1 1 6 6 LEU H H 1 8.127 0.03 . 1 . . . . . 6 LEU H . 15811 1 51 . 1 1 6 6 LEU HA H 1 4.200 0.03 . 1 . . . . . 6 LEU HA . 15811 1 52 . 1 1 6 6 LEU HB2 H 1 1.493 0.03 . 2 . . . . . 6 LEU HB2 . 15811 1 53 . 1 1 6 6 LEU HB3 H 1 1.353 0.03 . 2 . . . . . 6 LEU HB3 . 15811 1 54 . 1 1 6 6 LEU HD11 H 1 0.811 0.03 . 2 . . . . . 6 LEU HD1 . 15811 1 55 . 1 1 6 6 LEU HD12 H 1 0.811 0.03 . 2 . . . . . 6 LEU HD1 . 15811 1 56 . 1 1 6 6 LEU HD13 H 1 0.811 0.03 . 2 . . . . . 6 LEU HD1 . 15811 1 57 . 1 1 6 6 LEU HD21 H 1 0.737 0.03 . 2 . . . . . 6 LEU HD2 . 15811 1 58 . 1 1 6 6 LEU HD22 H 1 0.737 0.03 . 2 . . . . . 6 LEU HD2 . 15811 1 59 . 1 1 6 6 LEU HD23 H 1 0.737 0.03 . 2 . . . . . 6 LEU HD2 . 15811 1 60 . 1 1 6 6 LEU HG H 1 1.458 0.03 . 1 . . . . . 6 LEU HG . 15811 1 61 . 1 1 6 6 LEU C C 13 176.782 0.3 . 1 . . . . . 6 LEU C . 15811 1 62 . 1 1 6 6 LEU CA C 13 55.200 0.3 . 1 . . . . . 6 LEU CA . 15811 1 63 . 1 1 6 6 LEU CB C 13 42.520 0.3 . 1 . . . . . 6 LEU CB . 15811 1 64 . 1 1 6 6 LEU CD1 C 13 24.990 0.3 . 1 . . . . . 6 LEU CD1 . 15811 1 65 . 1 1 6 6 LEU CD2 C 13 23.480 0.3 . 1 . . . . . 6 LEU CD2 . 15811 1 66 . 1 1 6 6 LEU CG C 13 26.900 0.3 . 1 . . . . . 6 LEU CG . 15811 1 67 . 1 1 6 6 LEU N N 15 122.169 0.3 . 1 . . . . . 6 LEU N . 15811 1 68 . 1 1 7 7 TYR H H 1 7.943 0.03 . 1 . . . . . 7 TYR H . 15811 1 69 . 1 1 7 7 TYR HA H 1 4.636 0.03 . 1 . . . . . 7 TYR HA . 15811 1 70 . 1 1 7 7 TYR HB2 H 1 2.953 0.03 . 2 . . . . . 7 TYR HB2 . 15811 1 71 . 1 1 7 7 TYR HB3 H 1 2.838 0.03 . 2 . . . . . 7 TYR HB3 . 15811 1 72 . 1 1 7 7 TYR HD1 H 1 6.988 0.03 . 1 . . . . . 7 TYR HD1 . 15811 1 73 . 1 1 7 7 TYR HD2 H 1 6.988 0.03 . 1 . . . . . 7 TYR HD2 . 15811 1 74 . 1 1 7 7 TYR HE1 H 1 6.725 0.03 . 1 . . . . . 7 TYR HE1 . 15811 1 75 . 1 1 7 7 TYR HE2 H 1 6.725 0.03 . 1 . . . . . 7 TYR HE2 . 15811 1 76 . 1 1 7 7 TYR C C 13 175.350 0.3 . 1 . . . . . 7 TYR C . 15811 1 77 . 1 1 7 7 TYR CA C 13 57.420 0.3 . 1 . . . . . 7 TYR CA . 15811 1 78 . 1 1 7 7 TYR CB C 13 39.370 0.3 . 1 . . . . . 7 TYR CB . 15811 1 79 . 1 1 7 7 TYR CD1 C 13 132.862 0.3 . 1 . . . . . 7 TYR CD1 . 15811 1 80 . 1 1 7 7 TYR CE1 C 13 118.369 0.3 . 1 . . . . . 7 TYR CE1 . 15811 1 81 . 1 1 7 7 TYR N N 15 119.193 0.3 . 1 . . . . . 7 TYR N . 15811 1 82 . 1 1 8 8 GLU H H 1 8.314 0.03 . 1 . . . . . 8 GLU H . 15811 1 83 . 1 1 8 8 GLU HA H 1 4.314 0.03 . 1 . . . . . 8 GLU HA . 15811 1 84 . 1 1 8 8 GLU HB2 H 1 1.913 0.03 . 2 . . . . . 8 GLU HB2 . 15811 1 85 . 1 1 8 8 GLU HB3 H 1 1.845 0.03 . 2 . . . . . 8 GLU HB3 . 15811 1 86 . 1 1 8 8 GLU HG2 H 1 2.092 0.03 . 2 . . . . . 8 GLU HG2 . 15811 1 87 . 1 1 8 8 GLU HG3 H 1 2.092 0.03 . 2 . . . . . 8 GLU HG3 . 15811 1 88 . 1 1 8 8 GLU C C 13 175.665 0.3 . 1 . . . . . 8 GLU C . 15811 1 89 . 1 1 8 8 GLU CA C 13 55.880 0.3 . 1 . . . . . 8 GLU CA . 15811 1 90 . 1 1 8 8 GLU CB C 13 31.100 0.3 . 1 . . . . . 8 GLU CB . 15811 1 91 . 1 1 8 8 GLU CG C 13 36.150 0.3 . 1 . . . . . 8 GLU CG . 15811 1 92 . 1 1 8 8 GLU N N 15 121.754 0.3 . 1 . . . . . 8 GLU N . 15811 1 93 . 1 1 9 9 ILE H H 1 8.116 0.03 . 1 . . . . . 9 ILE H . 15811 1 94 . 1 1 9 9 ILE HA H 1 4.204 0.03 . 1 . . . . . 9 ILE HA . 15811 1 95 . 1 1 9 9 ILE HB H 1 1.767 0.03 . 1 . . . . . 9 ILE HB . 15811 1 96 . 1 1 9 9 ILE HD11 H 1 0.770 0.03 . 1 . . . . . 9 ILE HD1 . 15811 1 97 . 1 1 9 9 ILE HD12 H 1 0.770 0.03 . 1 . . . . . 9 ILE HD1 . 15811 1 98 . 1 1 9 9 ILE HD13 H 1 0.770 0.03 . 1 . . . . . 9 ILE HD1 . 15811 1 99 . 1 1 9 9 ILE HG12 H 1 1.416 0.03 . 2 . . . . . 9 ILE HG12 . 15811 1 100 . 1 1 9 9 ILE HG13 H 1 1.090 0.03 . 2 . . . . . 9 ILE HG13 . 15811 1 101 . 1 1 9 9 ILE HG21 H 1 0.805 0.03 . 1 . . . . . 9 ILE HG2 . 15811 1 102 . 1 1 9 9 ILE HG22 H 1 0.805 0.03 . 1 . . . . . 9 ILE HG2 . 15811 1 103 . 1 1 9 9 ILE HG23 H 1 0.805 0.03 . 1 . . . . . 9 ILE HG2 . 15811 1 104 . 1 1 9 9 ILE C C 13 176.058 0.3 . 1 . . . . . 9 ILE C . 15811 1 105 . 1 1 9 9 ILE CA C 13 60.640 0.3 . 1 . . . . . 9 ILE CA . 15811 1 106 . 1 1 9 9 ILE CB C 13 38.440 0.3 . 1 . . . . . 9 ILE CB . 15811 1 107 . 1 1 9 9 ILE CD1 C 13 12.860 0.3 . 1 . . . . . 9 ILE CD1 . 15811 1 108 . 1 1 9 9 ILE CG1 C 13 27.380 0.3 . 1 . . . . . 9 ILE CG1 . 15811 1 109 . 1 1 9 9 ILE CG2 C 13 17.460 0.3 . 1 . . . . . 9 ILE CG2 . 15811 1 110 . 1 1 9 9 ILE N N 15 121.966 0.3 . 1 . . . . . 9 ILE N . 15811 1 111 . 1 1 10 10 ALA H H 1 8.472 0.03 . 1 . . . . . 10 ALA H . 15811 1 112 . 1 1 10 10 ALA HA H 1 4.342 0.03 . 1 . . . . . 10 ALA HA . 15811 1 113 . 1 1 10 10 ALA HB1 H 1 1.301 0.03 . 1 . . . . . 10 ALA HB . 15811 1 114 . 1 1 10 10 ALA HB2 H 1 1.301 0.03 . 1 . . . . . 10 ALA HB . 15811 1 115 . 1 1 10 10 ALA HB3 H 1 1.301 0.03 . 1 . . . . . 10 ALA HB . 15811 1 116 . 1 1 10 10 ALA C C 13 177.286 0.3 . 1 . . . . . 10 ALA C . 15811 1 117 . 1 1 10 10 ALA CA C 13 52.450 0.3 . 1 . . . . . 10 ALA CA . 15811 1 118 . 1 1 10 10 ALA CB C 13 19.420 0.3 . 1 . . . . . 10 ALA CB . 15811 1 119 . 1 1 10 10 ALA N N 15 128.558 0.3 . 1 . . . . . 10 ALA N . 15811 1 120 . 1 1 11 11 ASP H H 1 8.423 0.03 . 1 . . . . . 11 ASP H . 15811 1 121 . 1 1 11 11 ASP HA H 1 4.423 0.03 . 1 . . . . . 11 ASP HA . 15811 1 122 . 1 1 11 11 ASP HB2 H 1 2.688 0.03 . 2 . . . . . 11 ASP HB2 . 15811 1 123 . 1 1 11 11 ASP HB3 H 1 2.593 0.03 . 2 . . . . . 11 ASP HB3 . 15811 1 124 . 1 1 11 11 ASP C C 13 176.798 0.3 . 1 . . . . . 11 ASP C . 15811 1 125 . 1 1 11 11 ASP CA C 13 54.780 0.3 . 1 . . . . . 11 ASP CA . 15811 1 126 . 1 1 11 11 ASP CB C 13 40.900 0.3 . 1 . . . . . 11 ASP CB . 15811 1 127 . 1 1 11 11 ASP N N 15 120.945 0.3 . 1 . . . . . 11 ASP N . 15811 1 128 . 1 1 12 12 GLY H H 1 8.263 0.03 . 1 . . . . . 12 GLY H . 15811 1 129 . 1 1 12 12 GLY HA2 H 1 3.928 0.03 . 2 . . . . . 12 GLY HA2 . 15811 1 130 . 1 1 12 12 GLY HA3 H 1 3.765 0.03 . 2 . . . . . 12 GLY HA3 . 15811 1 131 . 1 1 12 12 GLY C C 13 174.326 0.3 . 1 . . . . . 12 GLY C . 15811 1 132 . 1 1 12 12 GLY CA C 13 45.630 0.3 . 1 . . . . . 12 GLY CA . 15811 1 133 . 1 1 12 12 GLY N N 15 107.572 0.3 . 1 . . . . . 12 GLY N . 15811 1 134 . 1 1 13 13 LYS H H 1 7.974 0.03 . 1 . . . . . 13 LYS H . 15811 1 135 . 1 1 13 13 LYS HA H 1 4.286 0.03 . 1 . . . . . 13 LYS HA . 15811 1 136 . 1 1 13 13 LYS HB2 H 1 1.759 0.03 . 2 . . . . . 13 LYS HB2 . 15811 1 137 . 1 1 13 13 LYS HB3 H 1 1.759 0.03 . 2 . . . . . 13 LYS HB3 . 15811 1 138 . 1 1 13 13 LYS HD2 H 1 1.617 0.03 . 2 . . . . . 13 LYS HD2 . 15811 1 139 . 1 1 13 13 LYS HD3 H 1 1.617 0.03 . 2 . . . . . 13 LYS HD3 . 15811 1 140 . 1 1 13 13 LYS HE2 H 1 2.931 0.03 . 2 . . . . . 13 LYS HE2 . 15811 1 141 . 1 1 13 13 LYS HE3 H 1 2.931 0.03 . 2 . . . . . 13 LYS HE3 . 15811 1 142 . 1 1 13 13 LYS HG2 H 1 1.384 0.03 . 2 . . . . . 13 LYS HG2 . 15811 1 143 . 1 1 13 13 LYS HG3 H 1 1.384 0.03 . 2 . . . . . 13 LYS HG3 . 15811 1 144 . 1 1 13 13 LYS C C 13 176.105 0.3 . 1 . . . . . 13 LYS C . 15811 1 145 . 1 1 13 13 LYS CA C 13 55.970 0.3 . 1 . . . . . 13 LYS CA . 15811 1 146 . 1 1 13 13 LYS CB C 13 33.000 0.3 . 1 . . . . . 13 LYS CB . 15811 1 147 . 1 1 13 13 LYS CD C 13 28.890 0.3 . 1 . . . . . 13 LYS CD . 15811 1 148 . 1 1 13 13 LYS CE C 13 42.460 0.3 . 1 . . . . . 13 LYS CE . 15811 1 149 . 1 1 13 13 LYS CG C 13 24.640 0.3 . 1 . . . . . 13 LYS CG . 15811 1 150 . 1 1 13 13 LYS N N 15 120.339 0.3 . 1 . . . . . 13 LYS N . 15811 1 151 . 1 1 14 14 LEU H H 1 8.103 0.03 . 1 . . . . . 14 LEU H . 15811 1 152 . 1 1 14 14 LEU HA H 1 4.355 0.03 . 1 . . . . . 14 LEU HA . 15811 1 153 . 1 1 14 14 LEU HB2 H 1 1.546 0.03 . 2 . . . . . 14 LEU HB2 . 15811 1 154 . 1 1 14 14 LEU HB3 H 1 1.465 0.03 . 2 . . . . . 14 LEU HB3 . 15811 1 155 . 1 1 14 14 LEU HD11 H 1 0.801 0.03 . 2 . . . . . 14 LEU HD1 . 15811 1 156 . 1 1 14 14 LEU HD12 H 1 0.801 0.03 . 2 . . . . . 14 LEU HD1 . 15811 1 157 . 1 1 14 14 LEU HD13 H 1 0.801 0.03 . 2 . . . . . 14 LEU HD1 . 15811 1 158 . 1 1 14 14 LEU HD21 H 1 0.730 0.03 . 2 . . . . . 14 LEU HD2 . 15811 1 159 . 1 1 14 14 LEU HD22 H 1 0.730 0.03 . 2 . . . . . 14 LEU HD2 . 15811 1 160 . 1 1 14 14 LEU HD23 H 1 0.730 0.03 . 2 . . . . . 14 LEU HD2 . 15811 1 161 . 1 1 14 14 LEU HG H 1 1.424 0.03 . 1 . . . . . 14 LEU HG . 15811 1 162 . 1 1 14 14 LEU C C 13 177.050 0.3 . 1 . . . . . 14 LEU C . 15811 1 163 . 1 1 14 14 LEU CA C 13 54.990 0.3 . 1 . . . . . 14 LEU CA . 15811 1 164 . 1 1 14 14 LEU CB C 13 42.180 0.3 . 1 . . . . . 14 LEU CB . 15811 1 165 . 1 1 14 14 LEU CD1 C 13 24.720 0.3 . 1 . . . . . 14 LEU CD1 . 15811 1 166 . 1 1 14 14 LEU CD2 C 13 23.940 0.3 . 1 . . . . . 14 LEU CD2 . 15811 1 167 . 1 1 14 14 LEU CG C 13 27.330 0.3 . 1 . . . . . 14 LEU CG . 15811 1 168 . 1 1 14 14 LEU N N 15 122.169 0.3 . 1 . . . . . 14 LEU N . 15811 1 169 . 1 1 15 15 VAL H H 1 8.236 0.03 . 1 . . . . . 15 VAL H . 15811 1 170 . 1 1 15 15 VAL HA H 1 4.090 0.03 . 1 . . . . . 15 VAL HA . 15811 1 171 . 1 1 15 15 VAL HB H 1 1.969 0.03 . 1 . . . . . 15 VAL HB . 15811 1 172 . 1 1 15 15 VAL HG11 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG1 . 15811 1 173 . 1 1 15 15 VAL HG12 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG1 . 15811 1 174 . 1 1 15 15 VAL HG13 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG1 . 15811 1 175 . 1 1 15 15 VAL HG21 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG2 . 15811 1 176 . 1 1 15 15 VAL HG22 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG2 . 15811 1 177 . 1 1 15 15 VAL HG23 H 1 0.845 0.03 . 2 . . . . . 15 VAL HG2 . 15811 1 178 . 1 1 15 15 VAL C C 13 175.680 0.3 . 1 . . . . . 15 VAL C . 15811 1 179 . 1 1 15 15 VAL CA C 13 62.000 0.3 . 1 . . . . . 15 VAL CA . 15811 1 180 . 1 1 15 15 VAL CB C 13 33.050 0.3 . 1 . . . . . 15 VAL CB . 15811 1 181 . 1 1 15 15 VAL CG1 C 13 20.660 0.3 . 1 . . . . . 15 VAL CG1 . 15811 1 182 . 1 1 15 15 VAL N N 15 122.264 0.3 . 1 . . . . . 15 VAL N . 15811 1 183 . 1 1 16 16 ARG H H 1 8.293 0.03 . 1 . . . . . 16 ARG H . 15811 1 184 . 1 1 16 16 ARG HA H 1 4.187 0.03 . 1 . . . . . 16 ARG HA . 15811 1 185 . 1 1 16 16 ARG HB2 H 1 1.659 0.03 . 2 . . . . . 16 ARG HB2 . 15811 1 186 . 1 1 16 16 ARG HB3 H 1 1.590 0.03 . 2 . . . . . 16 ARG HB3 . 15811 1 187 . 1 1 16 16 ARG HD2 H 1 3.038 0.03 . 2 . . . . . 16 ARG HD2 . 15811 1 188 . 1 1 16 16 ARG HD3 H 1 3.038 0.03 . 2 . . . . . 16 ARG HD3 . 15811 1 189 . 1 1 16 16 ARG HG2 H 1 1.446 0.03 . 2 . . . . . 16 ARG HG2 . 15811 1 190 . 1 1 16 16 ARG HG3 H 1 1.446 0.03 . 2 . . . . . 16 ARG HG3 . 15811 1 191 . 1 1 16 16 ARG C C 13 175.822 0.3 . 1 . . . . . 16 ARG C . 15811 1 192 . 1 1 16 16 ARG CA C 13 55.820 0.3 . 1 . . . . . 16 ARG CA . 15811 1 193 . 1 1 16 16 ARG CB C 13 30.820 0.3 . 1 . . . . . 16 ARG CB . 15811 1 194 . 1 1 16 16 ARG CD C 13 43.470 0.3 . 1 . . . . . 16 ARG CD . 15811 1 195 . 1 1 16 16 ARG CG C 13 27.360 0.3 . 1 . . . . . 16 ARG CG . 15811 1 196 . 1 1 16 16 ARG N N 15 124.903 0.3 . 1 . . . . . 16 ARG N . 15811 1 197 . 1 1 17 17 LYS H H 1 8.239 0.03 . 1 . . . . . 17 LYS H . 15811 1 198 . 1 1 17 17 LYS HA H 1 4.130 0.03 . 1 . . . . . 17 LYS HA . 15811 1 199 . 1 1 17 17 LYS HB2 H 1 1.560 0.03 . 2 . . . . . 17 LYS HB2 . 15811 1 200 . 1 1 17 17 LYS HB3 H 1 1.486 0.03 . 2 . . . . . 17 LYS HB3 . 15811 1 201 . 1 1 17 17 LYS HD2 H 1 1.525 0.03 . 2 . . . . . 17 LYS HD2 . 15811 1 202 . 1 1 17 17 LYS HD3 H 1 1.525 0.03 . 2 . . . . . 17 LYS HD3 . 15811 1 203 . 1 1 17 17 LYS HE2 H 1 2.852 0.03 . 2 . . . . . 17 LYS HE2 . 15811 1 204 . 1 1 17 17 LYS HE3 H 1 2.852 0.03 . 2 . . . . . 17 LYS HE3 . 15811 1 205 . 1 1 17 17 LYS HG2 H 1 1.217 0.03 . 2 . . . . . 17 LYS HG2 . 15811 1 206 . 1 1 17 17 LYS HG3 H 1 1.158 0.03 . 2 . . . . . 17 LYS HG3 . 15811 1 207 . 1 1 17 17 LYS C C 13 175.995 0.3 . 1 . . . . . 17 LYS C . 15811 1 208 . 1 1 17 17 LYS CA C 13 56.270 0.3 . 1 . . . . . 17 LYS CA . 15811 1 209 . 1 1 17 17 LYS CB C 13 33.130 0.3 . 1 . . . . . 17 LYS CB . 15811 1 210 . 1 1 17 17 LYS CD C 13 29.370 0.3 . 1 . . . . . 17 LYS CD . 15811 1 211 . 1 1 17 17 LYS CE C 13 41.870 0.3 . 1 . . . . . 17 LYS CE . 15811 1 212 . 1 1 17 17 LYS CG C 13 24.680 0.3 . 1 . . . . . 17 LYS CG . 15811 1 213 . 1 1 17 17 LYS N N 15 123.108 0.3 . 1 . . . . . 17 LYS N . 15811 1 214 . 1 1 18 18 HIS H H 1 8.067 0.03 . 1 . . . . . 18 HIS H . 15811 1 215 . 1 1 18 18 HIS HA H 1 4.572 0.03 . 1 . . . . . 18 HIS HA . 15811 1 216 . 1 1 18 18 HIS HB2 H 1 2.823 0.03 . 2 . . . . . 18 HIS HB2 . 15811 1 217 . 1 1 18 18 HIS HB3 H 1 2.636 0.03 . 2 . . . . . 18 HIS HB3 . 15811 1 218 . 1 1 18 18 HIS C C 13 174.736 0.3 . 1 . . . . . 18 HIS C . 15811 1 219 . 1 1 18 18 HIS CA C 13 55.460 0.3 . 1 . . . . . 18 HIS CA . 15811 1 220 . 1 1 18 18 HIS CB C 13 31.390 0.3 . 1 . . . . . 18 HIS CB . 15811 1 221 . 1 1 18 18 HIS N N 15 120.275 0.3 . 1 . . . . . 18 HIS N . 15811 1 222 . 1 1 19 19 ARG H H 1 8.767 0.03 . 1 . . . . . 19 ARG H . 15811 1 223 . 1 1 19 19 ARG HA H 1 4.254 0.03 . 1 . . . . . 19 ARG HA . 15811 1 224 . 1 1 19 19 ARG HB2 H 1 1.558 0.03 . 2 . . . . . 19 ARG HB2 . 15811 1 225 . 1 1 19 19 ARG HB3 H 1 1.383 0.03 . 2 . . . . . 19 ARG HB3 . 15811 1 226 . 1 1 19 19 ARG HD2 H 1 2.595 0.03 . 2 . . . . . 19 ARG HD2 . 15811 1 227 . 1 1 19 19 ARG HD3 H 1 2.478 0.03 . 2 . . . . . 19 ARG HD3 . 15811 1 228 . 1 1 19 19 ARG HG2 H 1 1.333 0.03 . 2 . . . . . 19 ARG HG2 . 15811 1 229 . 1 1 19 19 ARG HG3 H 1 1.279 0.03 . 2 . . . . . 19 ARG HG3 . 15811 1 230 . 1 1 19 19 ARG C C 13 175.790 0.3 . 1 . . . . . 19 ARG C . 15811 1 231 . 1 1 19 19 ARG CA C 13 55.480 0.3 . 1 . . . . . 19 ARG CA . 15811 1 232 . 1 1 19 19 ARG CB C 13 32.050 0.3 . 1 . . . . . 19 ARG CB . 15811 1 233 . 1 1 19 19 ARG CD C 13 42.940 0.3 . 1 . . . . . 19 ARG CD . 15811 1 234 . 1 1 19 19 ARG CG C 13 26.570 0.3 . 1 . . . . . 19 ARG CG . 15811 1 235 . 1 1 19 19 ARG N N 15 122.186 0.3 . 1 . . . . . 19 ARG N . 15811 1 236 . 1 1 20 20 PHE H H 1 7.866 0.03 . 1 . . . . . 20 PHE H . 15811 1 237 . 1 1 20 20 PHE HA H 1 5.296 0.03 . 1 . . . . . 20 PHE HA . 15811 1 238 . 1 1 20 20 PHE HB2 H 1 2.923 0.03 . 2 . . . . . 20 PHE HB2 . 15811 1 239 . 1 1 20 20 PHE HB3 H 1 2.693 0.03 . 2 . . . . . 20 PHE HB3 . 15811 1 240 . 1 1 20 20 PHE HD1 H 1 6.902 0.03 . 1 . . . . . 20 PHE HD1 . 15811 1 241 . 1 1 20 20 PHE HD2 H 1 6.902 0.03 . 1 . . . . . 20 PHE HD2 . 15811 1 242 . 1 1 20 20 PHE HE1 H 1 7.066 0.03 . 1 . . . . . 20 PHE HE1 . 15811 1 243 . 1 1 20 20 PHE HE2 H 1 7.066 0.03 . 1 . . . . . 20 PHE HE2 . 15811 1 244 . 1 1 20 20 PHE HZ H 1 7.193 0.03 . 1 . . . . . 20 PHE HZ . 15811 1 245 . 1 1 20 20 PHE C C 13 174.673 0.3 . 1 . . . . . 20 PHE C . 15811 1 246 . 1 1 20 20 PHE CA C 13 54.520 0.3 . 1 . . . . . 20 PHE CA . 15811 1 247 . 1 1 20 20 PHE CB C 13 40.050 0.3 . 1 . . . . . 20 PHE CB . 15811 1 248 . 1 1 20 20 PHE CD1 C 13 132.481 0.3 . 1 . . . . . 20 PHE CD1 . 15811 1 249 . 1 1 20 20 PHE CE1 C 13 130.130 0.3 . 1 . . . . . 20 PHE CE1 . 15811 1 250 . 1 1 20 20 PHE CZ C 13 130.130 0.3 . 1 . . . . . 20 PHE CZ . 15811 1 251 . 1 1 20 20 PHE N N 15 120.369 0.3 . 1 . . . . . 20 PHE N . 15811 1 252 . 1 1 21 21 CYS H H 1 8.557 0.03 . 1 . . . . . 21 CYS H . 15811 1 253 . 1 1 21 21 CYS HA H 1 4.062 0.03 . 1 . . . . . 21 CYS HA . 15811 1 254 . 1 1 21 21 CYS HB2 H 1 2.832 0.03 . 2 . . . . . 21 CYS HB2 . 15811 1 255 . 1 1 21 21 CYS HB3 H 1 2.785 0.03 . 2 . . . . . 21 CYS HB3 . 15811 1 256 . 1 1 21 21 CYS CA C 13 56.880 0.3 . 1 . . . . . 21 CYS CA . 15811 1 257 . 1 1 21 21 CYS CB C 13 30.710 0.3 . 1 . . . . . 21 CYS CB . 15811 1 258 . 1 1 21 21 CYS N N 15 123.994 0.3 . 1 . . . . . 21 CYS N . 15811 1 259 . 1 1 22 22 PRO HA H 1 4.211 0.03 . 1 . . . . . 22 PRO HA . 15811 1 260 . 1 1 22 22 PRO HB2 H 1 2.056 0.03 . 2 . . . . . 22 PRO HB2 . 15811 1 261 . 1 1 22 22 PRO HB3 H 1 1.601 0.03 . 2 . . . . . 22 PRO HB3 . 15811 1 262 . 1 1 22 22 PRO HD2 H 1 3.443 0.03 . 2 . . . . . 22 PRO HD2 . 15811 1 263 . 1 1 22 22 PRO HD3 H 1 3.087 0.03 . 2 . . . . . 22 PRO HD3 . 15811 1 264 . 1 1 22 22 PRO HG2 H 1 1.561 0.03 . 2 . . . . . 22 PRO HG2 . 15811 1 265 . 1 1 22 22 PRO HG3 H 1 1.153 0.03 . 2 . . . . . 22 PRO HG3 . 15811 1 266 . 1 1 22 22 PRO C C 13 177.475 0.3 . 1 . . . . . 22 PRO C . 15811 1 267 . 1 1 22 22 PRO CA C 13 64.260 0.3 . 1 . . . . . 22 PRO CA . 15811 1 268 . 1 1 22 22 PRO CB C 13 31.730 0.3 . 1 . . . . . 22 PRO CB . 15811 1 269 . 1 1 22 22 PRO CD C 13 50.550 0.3 . 1 . . . . . 22 PRO CD . 15811 1 270 . 1 1 22 22 PRO CG C 13 26.720 0.3 . 1 . . . . . 22 PRO CG . 15811 1 271 . 1 1 23 23 ARG H H 1 8.569 0.03 . 1 . . . . . 23 ARG H . 15811 1 272 . 1 1 23 23 ARG HA H 1 4.223 0.03 . 1 . . . . . 23 ARG HA . 15811 1 273 . 1 1 23 23 ARG HB2 H 1 2.091 0.03 . 2 . . . . . 23 ARG HB2 . 15811 1 274 . 1 1 23 23 ARG HB3 H 1 1.898 0.03 . 2 . . . . . 23 ARG HB3 . 15811 1 275 . 1 1 23 23 ARG HD2 H 1 3.277 0.03 . 2 . . . . . 23 ARG HD2 . 15811 1 276 . 1 1 23 23 ARG HD3 H 1 3.228 0.03 . 2 . . . . . 23 ARG HD3 . 15811 1 277 . 1 1 23 23 ARG HG2 H 1 1.475 0.03 . 2 . . . . . 23 ARG HG2 . 15811 1 278 . 1 1 23 23 ARG HG3 H 1 1.398 0.03 . 2 . . . . . 23 ARG HG3 . 15811 1 279 . 1 1 23 23 ARG C C 13 178.246 0.3 . 1 . . . . . 23 ARG C . 15811 1 280 . 1 1 23 23 ARG CA C 13 58.030 0.3 . 1 . . . . . 23 ARG CA . 15811 1 281 . 1 1 23 23 ARG CB C 13 31.240 0.3 . 1 . . . . . 23 ARG CB . 15811 1 282 . 1 1 23 23 ARG CD C 13 43.920 0.3 . 1 . . . . . 23 ARG CD . 15811 1 283 . 1 1 23 23 ARG CG C 13 27.140 0.3 . 1 . . . . . 23 ARG CG . 15811 1 284 . 1 1 23 23 ARG N N 15 121.075 0.3 . 1 . . . . . 23 ARG N . 15811 1 285 . 1 1 24 24 CYS H H 1 9.550 0.03 . 1 . . . . . 24 CYS H . 15811 1 286 . 1 1 24 24 CYS HA H 1 3.872 0.03 . 1 . . . . . 24 CYS HA . 15811 1 287 . 1 1 24 24 CYS HB2 H 1 2.911 0.03 . 2 . . . . . 24 CYS HB2 . 15811 1 288 . 1 1 24 24 CYS HB3 H 1 2.709 0.03 . 2 . . . . . 24 CYS HB3 . 15811 1 289 . 1 1 24 24 CYS C C 13 177.302 0.3 . 1 . . . . . 24 CYS C . 15811 1 290 . 1 1 24 24 CYS CA C 13 63.060 0.3 . 1 . . . . . 24 CYS CA . 15811 1 291 . 1 1 24 24 CYS CB C 13 30.120 0.3 . 1 . . . . . 24 CYS CB . 15811 1 292 . 1 1 24 24 CYS N N 15 123.692 0.3 . 1 . . . . . 24 CYS N . 15811 1 293 . 1 1 25 25 GLY H H 1 8.166 0.03 . 1 . . . . . 25 GLY H . 15811 1 294 . 1 1 25 25 GLY HA2 H 1 4.142 0.03 . 2 . . . . . 25 GLY HA2 . 15811 1 295 . 1 1 25 25 GLY HA3 H 1 3.623 0.03 . 2 . . . . . 25 GLY HA3 . 15811 1 296 . 1 1 25 25 GLY CA C 13 44.640 0.3 . 1 . . . . . 25 GLY CA . 15811 1 297 . 1 1 25 25 GLY N N 15 107.593 0.3 . 1 . . . . . 25 GLY N . 15811 1 298 . 1 1 26 26 PRO HA H 1 2.807 0.03 . 1 . . . . . 26 PRO HA . 15811 1 299 . 1 1 26 26 PRO HB2 H 1 1.533 0.03 . 2 . . . . . 26 PRO HB2 . 15811 1 300 . 1 1 26 26 PRO HB3 H 1 1.376 0.03 . 2 . . . . . 26 PRO HB3 . 15811 1 301 . 1 1 26 26 PRO HD2 H 1 3.265 0.03 . 2 . . . . . 26 PRO HD2 . 15811 1 302 . 1 1 26 26 PRO HD3 H 1 3.144 0.03 . 2 . . . . . 26 PRO HD3 . 15811 1 303 . 1 1 26 26 PRO HG2 H 1 1.687 0.03 . 2 . . . . . 26 PRO HG2 . 15811 1 304 . 1 1 26 26 PRO HG3 H 1 1.265 0.03 . 2 . . . . . 26 PRO HG3 . 15811 1 305 . 1 1 26 26 PRO C C 13 176.940 0.3 . 1 . . . . . 26 PRO C . 15811 1 306 . 1 1 26 26 PRO CA C 13 63.060 0.3 . 1 . . . . . 26 PRO CA . 15811 1 307 . 1 1 26 26 PRO CB C 13 31.650 0.3 . 1 . . . . . 26 PRO CB . 15811 1 308 . 1 1 26 26 PRO CD C 13 49.300 0.3 . 1 . . . . . 26 PRO CD . 15811 1 309 . 1 1 26 26 PRO CG C 13 26.900 0.3 . 1 . . . . . 26 PRO CG . 15811 1 310 . 1 1 27 27 GLY H H 1 6.847 0.03 . 1 . . . . . 27 GLY H . 15811 1 311 . 1 1 27 27 GLY HA2 H 1 3.800 0.03 . 2 . . . . . 27 GLY HA2 . 15811 1 312 . 1 1 27 27 GLY HA3 H 1 3.334 0.03 . 2 . . . . . 27 GLY HA3 . 15811 1 313 . 1 1 27 27 GLY C C 13 172.705 0.3 . 1 . . . . . 27 GLY C . 15811 1 314 . 1 1 27 27 GLY CA C 13 44.400 0.3 . 1 . . . . . 27 GLY CA . 15811 1 315 . 1 1 27 27 GLY N N 15 108.726 0.3 . 1 . . . . . 27 GLY N . 15811 1 316 . 1 1 28 28 VAL H H 1 7.416 0.03 . 1 . . . . . 28 VAL H . 15811 1 317 . 1 1 28 28 VAL HA H 1 3.964 0.03 . 1 . . . . . 28 VAL HA . 15811 1 318 . 1 1 28 28 VAL HB H 1 2.013 0.03 . 1 . . . . . 28 VAL HB . 15811 1 319 . 1 1 28 28 VAL HG11 H 1 0.959 0.03 . 2 . . . . . 28 VAL HG1 . 15811 1 320 . 1 1 28 28 VAL HG12 H 1 0.959 0.03 . 2 . . . . . 28 VAL HG1 . 15811 1 321 . 1 1 28 28 VAL HG13 H 1 0.959 0.03 . 2 . . . . . 28 VAL HG1 . 15811 1 322 . 1 1 28 28 VAL HG21 H 1 0.587 0.03 . 2 . . . . . 28 VAL HG2 . 15811 1 323 . 1 1 28 28 VAL HG22 H 1 0.587 0.03 . 2 . . . . . 28 VAL HG2 . 15811 1 324 . 1 1 28 28 VAL HG23 H 1 0.587 0.03 . 2 . . . . . 28 VAL HG2 . 15811 1 325 . 1 1 28 28 VAL C C 13 174.626 0.3 . 1 . . . . . 28 VAL C . 15811 1 326 . 1 1 28 28 VAL CA C 13 62.040 0.3 . 1 . . . . . 28 VAL CA . 15811 1 327 . 1 1 28 28 VAL CB C 13 32.080 0.3 . 1 . . . . . 28 VAL CB . 15811 1 328 . 1 1 28 28 VAL CG1 C 13 23.130 0.3 . 1 . . . . . 28 VAL CG1 . 15811 1 329 . 1 1 28 28 VAL CG2 C 13 20.870 0.3 . 1 . . . . . 28 VAL CG2 . 15811 1 330 . 1 1 28 28 VAL N N 15 123.159 0.3 . 1 . . . . . 28 VAL N . 15811 1 331 . 1 1 29 29 PHE H H 1 8.484 0.03 . 1 . . . . . 29 PHE H . 15811 1 332 . 1 1 29 29 PHE HA H 1 4.905 0.03 . 1 . . . . . 29 PHE HA . 15811 1 333 . 1 1 29 29 PHE HB2 H 1 3.056 0.03 . 2 . . . . . 29 PHE HB2 . 15811 1 334 . 1 1 29 29 PHE HB3 H 1 2.816 0.03 . 2 . . . . . 29 PHE HB3 . 15811 1 335 . 1 1 29 29 PHE HD1 H 1 7.060 0.03 . 1 . . . . . 29 PHE HD1 . 15811 1 336 . 1 1 29 29 PHE HD2 H 1 7.060 0.03 . 1 . . . . . 29 PHE HD2 . 15811 1 337 . 1 1 29 29 PHE HE1 H 1 7.196 0.03 . 1 . . . . . 29 PHE HE1 . 15811 1 338 . 1 1 29 29 PHE HE2 H 1 7.196 0.03 . 1 . . . . . 29 PHE HE2 . 15811 1 339 . 1 1 29 29 PHE HZ H 1 7.206 0.03 . 1 . . . . . 29 PHE HZ . 15811 1 340 . 1 1 29 29 PHE C C 13 177.349 0.3 . 1 . . . . . 29 PHE C . 15811 1 341 . 1 1 29 29 PHE CA C 13 57.800 0.3 . 1 . . . . . 29 PHE CA . 15811 1 342 . 1 1 29 29 PHE CB C 13 40.050 0.3 . 1 . . . . . 29 PHE CB . 15811 1 343 . 1 1 29 29 PHE CD1 C 13 131.465 0.3 . 1 . . . . . 29 PHE CD1 . 15811 1 344 . 1 1 29 29 PHE CE1 C 13 131.505 0.3 . 1 . . . . . 29 PHE CE1 . 15811 1 345 . 1 1 29 29 PHE CZ C 13 129.711 0.3 . 1 . . . . . 29 PHE CZ . 15811 1 346 . 1 1 29 29 PHE N N 15 124.513 0.3 . 1 . . . . . 29 PHE N . 15811 1 347 . 1 1 30 30 LEU H H 1 8.615 0.03 . 1 . . . . . 30 LEU H . 15811 1 348 . 1 1 30 30 LEU HA H 1 4.425 0.03 . 1 . . . . . 30 LEU HA . 15811 1 349 . 1 1 30 30 LEU HB2 H 1 1.679 0.03 . 2 . . . . . 30 LEU HB2 . 15811 1 350 . 1 1 30 30 LEU HB3 H 1 1.352 0.03 . 2 . . . . . 30 LEU HB3 . 15811 1 351 . 1 1 30 30 LEU HD11 H 1 0.647 0.03 . 2 . . . . . 30 LEU HD1 . 15811 1 352 . 1 1 30 30 LEU HD12 H 1 0.647 0.03 . 2 . . . . . 30 LEU HD1 . 15811 1 353 . 1 1 30 30 LEU HD13 H 1 0.647 0.03 . 2 . . . . . 30 LEU HD1 . 15811 1 354 . 1 1 30 30 LEU HD21 H 1 0.861 0.03 . 2 . . . . . 30 LEU HD2 . 15811 1 355 . 1 1 30 30 LEU HD22 H 1 0.861 0.03 . 2 . . . . . 30 LEU HD2 . 15811 1 356 . 1 1 30 30 LEU HD23 H 1 0.861 0.03 . 2 . . . . . 30 LEU HD2 . 15811 1 357 . 1 1 30 30 LEU HG H 1 1.364 0.03 . 1 . . . . . 30 LEU HG . 15811 1 358 . 1 1 30 30 LEU C C 13 176.877 0.3 . 1 . . . . . 30 LEU C . 15811 1 359 . 1 1 30 30 LEU CA C 13 54.180 0.3 . 1 . . . . . 30 LEU CA . 15811 1 360 . 1 1 30 30 LEU CB C 13 42.470 0.3 . 1 . . . . . 30 LEU CB . 15811 1 361 . 1 1 30 30 LEU CD1 C 13 25.530 0.3 . 1 . . . . . 30 LEU CD1 . 15811 1 362 . 1 1 30 30 LEU CD2 C 13 23.800 0.3 . 1 . . . . . 30 LEU CD2 . 15811 1 363 . 1 1 30 30 LEU CG C 13 26.310 0.3 . 1 . . . . . 30 LEU CG . 15811 1 364 . 1 1 30 30 LEU N N 15 120.729 0.3 . 1 . . . . . 30 LEU N . 15811 1 365 . 1 1 31 31 ALA H H 1 9.109 0.03 . 1 . . . . . 31 ALA H . 15811 1 366 . 1 1 31 31 ALA HA H 1 4.502 0.03 . 1 . . . . . 31 ALA HA . 15811 1 367 . 1 1 31 31 ALA HB1 H 1 1.360 0.03 . 1 . . . . . 31 ALA HB . 15811 1 368 . 1 1 31 31 ALA HB2 H 1 1.360 0.03 . 1 . . . . . 31 ALA HB . 15811 1 369 . 1 1 31 31 ALA HB3 H 1 1.360 0.03 . 1 . . . . . 31 ALA HB . 15811 1 370 . 1 1 31 31 ALA C C 13 176.231 0.3 . 1 . . . . . 31 ALA C . 15811 1 371 . 1 1 31 31 ALA CA C 13 51.170 0.3 . 1 . . . . . 31 ALA CA . 15811 1 372 . 1 1 31 31 ALA CB C 13 20.140 0.3 . 1 . . . . . 31 ALA CB . 15811 1 373 . 1 1 31 31 ALA N N 15 126.827 0.3 . 1 . . . . . 31 ALA N . 15811 1 374 . 1 1 32 32 GLU H H 1 8.580 0.03 . 1 . . . . . 32 GLU H . 15811 1 375 . 1 1 32 32 GLU HA H 1 4.172 0.03 . 1 . . . . . 32 GLU HA . 15811 1 376 . 1 1 32 32 GLU HB2 H 1 1.865 0.03 . 2 . . . . . 32 GLU HB2 . 15811 1 377 . 1 1 32 32 GLU HB3 H 1 1.778 0.03 . 2 . . . . . 32 GLU HB3 . 15811 1 378 . 1 1 32 32 GLU HG2 H 1 1.997 0.03 . 2 . . . . . 32 GLU HG2 . 15811 1 379 . 1 1 32 32 GLU HG3 H 1 1.507 0.03 . 2 . . . . . 32 GLU HG3 . 15811 1 380 . 1 1 32 32 GLU C C 13 174.736 0.3 . 1 . . . . . 32 GLU C . 15811 1 381 . 1 1 32 32 GLU CA C 13 56.140 0.3 . 1 . . . . . 32 GLU CA . 15811 1 382 . 1 1 32 32 GLU CB C 13 30.540 0.3 . 1 . . . . . 32 GLU CB . 15811 1 383 . 1 1 32 32 GLU CG C 13 36.060 0.3 . 1 . . . . . 32 GLU CG . 15811 1 384 . 1 1 32 32 GLU N N 15 122.632 0.3 . 1 . . . . . 32 GLU N . 15811 1 385 . 1 1 33 33 HIS H H 1 8.596 0.03 . 1 . . . . . 33 HIS H . 15811 1 386 . 1 1 33 33 HIS HA H 1 4.816 0.03 . 1 . . . . . 33 HIS HA . 15811 1 387 . 1 1 33 33 HIS HB2 H 1 3.372 0.03 . 2 . . . . . 33 HIS HB2 . 15811 1 388 . 1 1 33 33 HIS HB3 H 1 2.788 0.03 . 2 . . . . . 33 HIS HB3 . 15811 1 389 . 1 1 33 33 HIS HD2 H 1 6.541 0.03 . 1 . . . . . 33 HIS HD2 . 15811 1 390 . 1 1 33 33 HIS CA C 13 53.900 0.3 . 1 . . . . . 33 HIS CA . 15811 1 391 . 1 1 33 33 HIS CB C 13 33.160 0.3 . 1 . . . . . 33 HIS CB . 15811 1 392 . 1 1 33 33 HIS CD2 C 13 120.538 0.3 . 1 . . . . . 33 HIS CD2 . 15811 1 393 . 1 1 33 33 HIS N N 15 126.719 0.3 . 1 . . . . . 33 HIS N . 15811 1 394 . 1 1 34 34 ALA HA H 1 4.011 0.03 . 1 . . . . . 34 ALA HA . 15811 1 395 . 1 1 34 34 ALA HB1 H 1 1.399 0.03 . 1 . . . . . 34 ALA HB . 15811 1 396 . 1 1 34 34 ALA HB2 H 1 1.399 0.03 . 1 . . . . . 34 ALA HB . 15811 1 397 . 1 1 34 34 ALA HB3 H 1 1.399 0.03 . 1 . . . . . 34 ALA HB . 15811 1 398 . 1 1 34 34 ALA C C 13 178.514 0.3 . 1 . . . . . 34 ALA C . 15811 1 399 . 1 1 34 34 ALA CA C 13 55.850 0.3 . 1 . . . . . 34 ALA CA . 15811 1 400 . 1 1 34 34 ALA CB C 13 18.060 0.3 . 1 . . . . . 34 ALA CB . 15811 1 401 . 1 1 35 35 ASP H H 1 8.241 0.03 . 1 . . . . . 35 ASP H . 15811 1 402 . 1 1 35 35 ASP HA H 1 4.737 0.03 . 1 . . . . . 35 ASP HA . 15811 1 403 . 1 1 35 35 ASP HB2 H 1 3.044 0.03 . 2 . . . . . 35 ASP HB2 . 15811 1 404 . 1 1 35 35 ASP HB3 H 1 2.601 0.03 . 2 . . . . . 35 ASP HB3 . 15811 1 405 . 1 1 35 35 ASP C C 13 177.003 0.3 . 1 . . . . . 35 ASP C . 15811 1 406 . 1 1 35 35 ASP CA C 13 53.040 0.3 . 1 . . . . . 35 ASP CA . 15811 1 407 . 1 1 35 35 ASP CB C 13 41.840 0.3 . 1 . . . . . 35 ASP CB . 15811 1 408 . 1 1 35 35 ASP N N 15 108.393 0.3 . 1 . . . . . 35 ASP N . 15811 1 409 . 1 1 36 36 ARG H H 1 7.175 0.03 . 1 . . . . . 36 ARG H . 15811 1 410 . 1 1 36 36 ARG HA H 1 4.940 0.03 . 1 . . . . . 36 ARG HA . 15811 1 411 . 1 1 36 36 ARG HB2 H 1 1.446 0.03 . 2 . . . . . 36 ARG HB2 . 15811 1 412 . 1 1 36 36 ARG HB3 H 1 1.060 0.03 . 2 . . . . . 36 ARG HB3 . 15811 1 413 . 1 1 36 36 ARG HD2 H 1 2.598 0.03 . 2 . . . . . 36 ARG HD2 . 15811 1 414 . 1 1 36 36 ARG HD3 H 1 2.598 0.03 . 2 . . . . . 36 ARG HD3 . 15811 1 415 . 1 1 36 36 ARG HG2 H 1 1.366 0.03 . 2 . . . . . 36 ARG HG2 . 15811 1 416 . 1 1 36 36 ARG HG3 H 1 0.893 0.03 . 2 . . . . . 36 ARG HG3 . 15811 1 417 . 1 1 36 36 ARG C C 13 171.430 0.3 . 1 . . . . . 36 ARG C . 15811 1 418 . 1 1 36 36 ARG CA C 13 54.670 0.3 . 1 . . . . . 36 ARG CA . 15811 1 419 . 1 1 36 36 ARG CB C 13 31.550 0.3 . 1 . . . . . 36 ARG CB . 15811 1 420 . 1 1 36 36 ARG CD C 13 42.640 0.3 . 1 . . . . . 36 ARG CD . 15811 1 421 . 1 1 36 36 ARG CG C 13 24.970 0.3 . 1 . . . . . 36 ARG CG . 15811 1 422 . 1 1 36 36 ARG N N 15 116.403 0.3 . 1 . . . . . 36 ARG N . 15811 1 423 . 1 1 37 37 TYR H H 1 9.025 0.03 . 1 . . . . . 37 TYR H . 15811 1 424 . 1 1 37 37 TYR HA H 1 5.546 0.03 . 1 . . . . . 37 TYR HA . 15811 1 425 . 1 1 37 37 TYR HB2 H 1 2.870 0.03 . 2 . . . . . 37 TYR HB2 . 15811 1 426 . 1 1 37 37 TYR HB3 H 1 2.618 0.03 . 2 . . . . . 37 TYR HB3 . 15811 1 427 . 1 1 37 37 TYR HD1 H 1 6.835 0.03 . 1 . . . . . 37 TYR HD1 . 15811 1 428 . 1 1 37 37 TYR HD2 H 1 6.835 0.03 . 1 . . . . . 37 TYR HD2 . 15811 1 429 . 1 1 37 37 TYR HE1 H 1 6.699 0.03 . 1 . . . . . 37 TYR HE1 . 15811 1 430 . 1 1 37 37 TYR HE2 H 1 6.699 0.03 . 1 . . . . . 37 TYR HE2 . 15811 1 431 . 1 1 37 37 TYR C C 13 176.027 0.3 . 1 . . . . . 37 TYR C . 15811 1 432 . 1 1 37 37 TYR CA C 13 56.400 0.3 . 1 . . . . . 37 TYR CA . 15811 1 433 . 1 1 37 37 TYR CB C 13 41.830 0.3 . 1 . . . . . 37 TYR CB . 15811 1 434 . 1 1 37 37 TYR CD1 C 13 133.358 0.3 . 1 . . . . . 37 TYR CD1 . 15811 1 435 . 1 1 37 37 TYR CE1 C 13 117.931 0.3 . 1 . . . . . 37 TYR CE1 . 15811 1 436 . 1 1 37 37 TYR N N 15 118.099 0.3 . 1 . . . . . 37 TYR N . 15811 1 437 . 1 1 38 38 SER H H 1 9.208 0.03 . 1 . . . . . 38 SER H . 15811 1 438 . 1 1 38 38 SER HA H 1 5.675 0.03 . 1 . . . . . 38 SER HA . 15811 1 439 . 1 1 38 38 SER HB2 H 1 3.611 0.03 . 2 . . . . . 38 SER HB2 . 15811 1 440 . 1 1 38 38 SER HB3 H 1 3.558 0.03 . 2 . . . . . 38 SER HB3 . 15811 1 441 . 1 1 38 38 SER C C 13 172.862 0.3 . 1 . . . . . 38 SER C . 15811 1 442 . 1 1 38 38 SER CA C 13 57.200 0.3 . 1 . . . . . 38 SER CA . 15811 1 443 . 1 1 38 38 SER CB C 13 67.430 0.3 . 1 . . . . . 38 SER CB . 15811 1 444 . 1 1 38 38 SER N N 15 114.608 0.3 . 1 . . . . . 38 SER N . 15811 1 445 . 1 1 39 39 CYS H H 1 9.403 0.03 . 1 . . . . . 39 CYS H . 15811 1 446 . 1 1 39 39 CYS HA H 1 4.781 0.03 . 1 . . . . . 39 CYS HA . 15811 1 447 . 1 1 39 39 CYS HB2 H 1 3.318 0.03 . 2 . . . . . 39 CYS HB2 . 15811 1 448 . 1 1 39 39 CYS HB3 H 1 2.840 0.03 . 2 . . . . . 39 CYS HB3 . 15811 1 449 . 1 1 39 39 CYS C C 13 177.931 0.3 . 1 . . . . . 39 CYS C . 15811 1 450 . 1 1 39 39 CYS CA C 13 58.680 0.3 . 1 . . . . . 39 CYS CA . 15811 1 451 . 1 1 39 39 CYS CB C 13 32.710 0.3 . 1 . . . . . 39 CYS CB . 15811 1 452 . 1 1 39 39 CYS N N 15 127.346 0.3 . 1 . . . . . 39 CYS N . 15811 1 453 . 1 1 40 40 GLY H H 1 9.147 0.03 . 1 . . . . . 40 GLY H . 15811 1 454 . 1 1 40 40 GLY HA2 H 1 4.053 0.03 . 2 . . . . . 40 GLY HA2 . 15811 1 455 . 1 1 40 40 GLY HA3 H 1 3.875 0.03 . 2 . . . . . 40 GLY HA3 . 15811 1 456 . 1 1 40 40 GLY C C 13 173.602 0.3 . 1 . . . . . 40 GLY C . 15811 1 457 . 1 1 40 40 GLY CA C 13 46.270 0.3 . 1 . . . . . 40 GLY CA . 15811 1 458 . 1 1 40 40 GLY N N 15 119.366 0.3 . 1 . . . . . 40 GLY N . 15811 1 459 . 1 1 41 41 ARG H H 1 9.279 0.03 . 1 . . . . . 41 ARG H . 15811 1 460 . 1 1 41 41 ARG HA H 1 4.362 0.03 . 1 . . . . . 41 ARG HA . 15811 1 461 . 1 1 41 41 ARG HB2 H 1 2.053 0.03 . 2 . . . . . 41 ARG HB2 . 15811 1 462 . 1 1 41 41 ARG HB3 H 1 1.902 0.03 . 2 . . . . . 41 ARG HB3 . 15811 1 463 . 1 1 41 41 ARG HD2 H 1 3.277 0.03 . 2 . . . . . 41 ARG HD2 . 15811 1 464 . 1 1 41 41 ARG HD3 H 1 3.218 0.03 . 2 . . . . . 41 ARG HD3 . 15811 1 465 . 1 1 41 41 ARG HG2 H 1 1.616 0.03 . 2 . . . . . 41 ARG HG2 . 15811 1 466 . 1 1 41 41 ARG HG3 H 1 1.521 0.03 . 2 . . . . . 41 ARG HG3 . 15811 1 467 . 1 1 41 41 ARG C C 13 177.601 0.3 . 1 . . . . . 41 ARG C . 15811 1 468 . 1 1 41 41 ARG CA C 13 58.200 0.3 . 1 . . . . . 41 ARG CA . 15811 1 469 . 1 1 41 41 ARG CB C 13 30.980 0.3 . 1 . . . . . 41 ARG CB . 15811 1 470 . 1 1 41 41 ARG CD C 13 43.310 0.3 . 1 . . . . . 41 ARG CD . 15811 1 471 . 1 1 41 41 ARG CG C 13 27.370 0.3 . 1 . . . . . 41 ARG CG . 15811 1 472 . 1 1 41 41 ARG N N 15 123.467 0.3 . 1 . . . . . 41 ARG N . 15811 1 473 . 1 1 42 42 CYS H H 1 8.759 0.03 . 1 . . . . . 42 CYS H . 15811 1 474 . 1 1 42 42 CYS HA H 1 4.944 0.03 . 1 . . . . . 42 CYS HA . 15811 1 475 . 1 1 42 42 CYS HB2 H 1 3.203 0.03 . 2 . . . . . 42 CYS HB2 . 15811 1 476 . 1 1 42 42 CYS HB3 H 1 2.368 0.03 . 2 . . . . . 42 CYS HB3 . 15811 1 477 . 1 1 42 42 CYS C C 13 177.160 0.3 . 1 . . . . . 42 CYS C . 15811 1 478 . 1 1 42 42 CYS CA C 13 58.390 0.3 . 1 . . . . . 42 CYS CA . 15811 1 479 . 1 1 42 42 CYS CB C 13 33.600 0.3 . 1 . . . . . 42 CYS CB . 15811 1 480 . 1 1 42 42 CYS N N 15 118.328 0.3 . 1 . . . . . 42 CYS N . 15811 1 481 . 1 1 43 43 GLY H H 1 7.686 0.03 . 1 . . . . . 43 GLY H . 15811 1 482 . 1 1 43 43 GLY HA2 H 1 4.251 0.03 . 2 . . . . . 43 GLY HA2 . 15811 1 483 . 1 1 43 43 GLY HA3 H 1 3.782 0.03 . 2 . . . . . 43 GLY HA3 . 15811 1 484 . 1 1 43 43 GLY C C 13 174.122 0.3 . 1 . . . . . 43 GLY C . 15811 1 485 . 1 1 43 43 GLY CA C 13 46.100 0.3 . 1 . . . . . 43 GLY CA . 15811 1 486 . 1 1 43 43 GLY N N 15 112.843 0.3 . 1 . . . . . 43 GLY N . 15811 1 487 . 1 1 44 44 TYR H H 1 9.285 0.03 . 1 . . . . . 44 TYR H . 15811 1 488 . 1 1 44 44 TYR HA H 1 4.109 0.03 . 1 . . . . . 44 TYR HA . 15811 1 489 . 1 1 44 44 TYR HB2 H 1 3.133 0.03 . 2 . . . . . 44 TYR HB2 . 15811 1 490 . 1 1 44 44 TYR HB3 H 1 2.851 0.03 . 2 . . . . . 44 TYR HB3 . 15811 1 491 . 1 1 44 44 TYR HD1 H 1 6.852 0.03 . 1 . . . . . 44 TYR HD1 . 15811 1 492 . 1 1 44 44 TYR HD2 H 1 6.852 0.03 . 1 . . . . . 44 TYR HD2 . 15811 1 493 . 1 1 44 44 TYR HE1 H 1 6.600 0.03 . 1 . . . . . 44 TYR HE1 . 15811 1 494 . 1 1 44 44 TYR HE2 H 1 6.600 0.03 . 1 . . . . . 44 TYR HE2 . 15811 1 495 . 1 1 44 44 TYR C C 13 174.248 0.3 . 1 . . . . . 44 TYR C . 15811 1 496 . 1 1 44 44 TYR CA C 13 60.680 0.3 . 1 . . . . . 44 TYR CA . 15811 1 497 . 1 1 44 44 TYR CB C 13 39.840 0.3 . 1 . . . . . 44 TYR CB . 15811 1 498 . 1 1 44 44 TYR CD1 C 13 132.920 0.3 . 1 . . . . . 44 TYR CD1 . 15811 1 499 . 1 1 44 44 TYR CE1 C 13 117.791 0.3 . 1 . . . . . 44 TYR CE1 . 15811 1 500 . 1 1 44 44 TYR N N 15 127.411 0.3 . 1 . . . . . 44 TYR N . 15811 1 501 . 1 1 45 45 THR H H 1 7.572 0.03 . 1 . . . . . 45 THR H . 15811 1 502 . 1 1 45 45 THR HA H 1 4.763 0.03 . 1 . . . . . 45 THR HA . 15811 1 503 . 1 1 45 45 THR HB H 1 3.543 0.03 . 1 . . . . . 45 THR HB . 15811 1 504 . 1 1 45 45 THR HG21 H 1 0.489 0.03 . 1 . . . . . 45 THR HG2 . 15811 1 505 . 1 1 45 45 THR HG22 H 1 0.489 0.03 . 1 . . . . . 45 THR HG2 . 15811 1 506 . 1 1 45 45 THR HG23 H 1 0.489 0.03 . 1 . . . . . 45 THR HG2 . 15811 1 507 . 1 1 45 45 THR C C 13 171.635 0.3 . 1 . . . . . 45 THR C . 15811 1 508 . 1 1 45 45 THR CA C 13 60.820 0.3 . 1 . . . . . 45 THR CA . 15811 1 509 . 1 1 45 45 THR CB C 13 72.660 0.3 . 1 . . . . . 45 THR CB . 15811 1 510 . 1 1 45 45 THR CG2 C 13 21.050 0.3 . 1 . . . . . 45 THR CG2 . 15811 1 511 . 1 1 45 45 THR N N 15 122.481 0.3 . 1 . . . . . 45 THR N . 15811 1 512 . 1 1 46 46 GLU H H 1 8.456 0.03 . 1 . . . . . 46 GLU H . 15811 1 513 . 1 1 46 46 GLU HA H 1 4.430 0.03 . 1 . . . . . 46 GLU HA . 15811 1 514 . 1 1 46 46 GLU HB2 H 1 1.897 0.03 . 2 . . . . . 46 GLU HB2 . 15811 1 515 . 1 1 46 46 GLU HB3 H 1 1.897 0.03 . 2 . . . . . 46 GLU HB3 . 15811 1 516 . 1 1 46 46 GLU HG2 H 1 2.282 0.03 . 2 . . . . . 46 GLU HG2 . 15811 1 517 . 1 1 46 46 GLU HG3 H 1 2.102 0.03 . 2 . . . . . 46 GLU HG3 . 15811 1 518 . 1 1 46 46 GLU C C 13 175.240 0.3 . 1 . . . . . 46 GLU C . 15811 1 519 . 1 1 46 46 GLU CA C 13 54.100 0.3 . 1 . . . . . 46 GLU CA . 15811 1 520 . 1 1 46 46 GLU CB C 13 33.180 0.3 . 1 . . . . . 46 GLU CB . 15811 1 521 . 1 1 46 46 GLU CG C 13 35.880 0.3 . 1 . . . . . 46 GLU CG . 15811 1 522 . 1 1 46 46 GLU N N 15 124.924 0.3 . 1 . . . . . 46 GLU N . 15811 1 523 . 1 1 47 47 PHE H H 1 9.084 0.03 . 1 . . . . . 47 PHE H . 15811 1 524 . 1 1 47 47 PHE HA H 1 4.417 0.03 . 1 . . . . . 47 PHE HA . 15811 1 525 . 1 1 47 47 PHE HB2 H 1 3.198 0.03 . 2 . . . . . 47 PHE HB2 . 15811 1 526 . 1 1 47 47 PHE HB3 H 1 2.848 0.03 . 2 . . . . . 47 PHE HB3 . 15811 1 527 . 1 1 47 47 PHE HD1 H 1 7.270 0.03 . 1 . . . . . 47 PHE HD1 . 15811 1 528 . 1 1 47 47 PHE HD2 H 1 7.270 0.03 . 1 . . . . . 47 PHE HD2 . 15811 1 529 . 1 1 47 47 PHE C C 13 176.987 0.3 . 1 . . . . . 47 PHE C . 15811 1 530 . 1 1 47 47 PHE CA C 13 59.920 0.3 . 1 . . . . . 47 PHE CA . 15811 1 531 . 1 1 47 47 PHE CB C 13 39.420 0.3 . 1 . . . . . 47 PHE CB . 15811 1 532 . 1 1 47 47 PHE CD1 C 13 131.247 0.3 . 1 . . . . . 47 PHE CD1 . 15811 1 533 . 1 1 47 47 PHE N N 15 125.357 0.3 . 1 . . . . . 47 PHE N . 15811 1 534 . 1 1 48 48 LYS H H 1 8.082 0.03 . 1 . . . . . 48 LYS H . 15811 1 535 . 1 1 48 48 LYS HA H 1 4.233 0.03 . 1 . . . . . 48 LYS HA . 15811 1 536 . 1 1 48 48 LYS HB2 H 1 1.899 0.03 . 2 . . . . . 48 LYS HB2 . 15811 1 537 . 1 1 48 48 LYS HB3 H 1 1.388 0.03 . 2 . . . . . 48 LYS HB3 . 15811 1 538 . 1 1 48 48 LYS HD2 H 1 1.560 0.03 . 2 . . . . . 48 LYS HD2 . 15811 1 539 . 1 1 48 48 LYS HD3 H 1 1.348 0.03 . 2 . . . . . 48 LYS HD3 . 15811 1 540 . 1 1 48 48 LYS HE2 H 1 2.602 0.03 . 2 . . . . . 48 LYS HE2 . 15811 1 541 . 1 1 48 48 LYS HE3 H 1 2.167 0.03 . 2 . . . . . 48 LYS HE3 . 15811 1 542 . 1 1 48 48 LYS HG2 H 1 1.384 0.03 . 2 . . . . . 48 LYS HG2 . 15811 1 543 . 1 1 48 48 LYS HG3 H 1 0.849 0.03 . 2 . . . . . 48 LYS HG3 . 15811 1 544 . 1 1 48 48 LYS C C 13 176.278 0.3 . 1 . . . . . 48 LYS C . 15811 1 545 . 1 1 48 48 LYS CA C 13 57.670 0.3 . 1 . . . . . 48 LYS CA . 15811 1 546 . 1 1 48 48 LYS CB C 13 33.900 0.3 . 1 . . . . . 48 LYS CB . 15811 1 547 . 1 1 48 48 LYS CD C 13 30.220 0.3 . 1 . . . . . 48 LYS CD . 15811 1 548 . 1 1 48 48 LYS CE C 13 41.420 0.3 . 1 . . . . . 48 LYS CE . 15811 1 549 . 1 1 48 48 LYS CG C 13 26.850 0.3 . 1 . . . . . 48 LYS CG . 15811 1 550 . 1 1 48 48 LYS N N 15 122.654 0.3 . 1 . . . . . 48 LYS N . 15811 1 551 . 1 1 49 49 LYS H H 1 8.475 0.03 . 1 . . . . . 49 LYS H . 15811 1 552 . 1 1 49 49 LYS HA H 1 4.299 0.03 . 1 . . . . . 49 LYS HA . 15811 1 553 . 1 1 49 49 LYS HB2 H 1 1.802 0.03 . 2 . . . . . 49 LYS HB2 . 15811 1 554 . 1 1 49 49 LYS HB3 H 1 1.695 0.03 . 2 . . . . . 49 LYS HB3 . 15811 1 555 . 1 1 49 49 LYS HD2 H 1 1.632 0.03 . 2 . . . . . 49 LYS HD2 . 15811 1 556 . 1 1 49 49 LYS HD3 H 1 1.632 0.03 . 2 . . . . . 49 LYS HD3 . 15811 1 557 . 1 1 49 49 LYS HE2 H 1 2.945 0.03 . 2 . . . . . 49 LYS HE2 . 15811 1 558 . 1 1 49 49 LYS HE3 H 1 2.945 0.03 . 2 . . . . . 49 LYS HE3 . 15811 1 559 . 1 1 49 49 LYS HG2 H 1 1.391 0.03 . 2 . . . . . 49 LYS HG2 . 15811 1 560 . 1 1 49 49 LYS HG3 H 1 1.343 0.03 . 2 . . . . . 49 LYS HG3 . 15811 1 561 . 1 1 49 49 LYS C C 13 175.979 0.3 . 1 . . . . . 49 LYS C . 15811 1 562 . 1 1 49 49 LYS CA C 13 56.100 0.3 . 1 . . . . . 49 LYS CA . 15811 1 563 . 1 1 49 49 LYS CB C 13 33.090 0.3 . 1 . . . . . 49 LYS CB . 15811 1 564 . 1 1 49 49 LYS CD C 13 29.250 0.3 . 1 . . . . . 49 LYS CD . 15811 1 565 . 1 1 49 49 LYS CE C 13 42.040 0.3 . 1 . . . . . 49 LYS CE . 15811 1 566 . 1 1 49 49 LYS CG C 13 24.900 0.3 . 1 . . . . . 49 LYS CG . 15811 1 567 . 1 1 49 49 LYS N N 15 121.521 0.3 . 1 . . . . . 49 LYS N . 15811 1 568 . 1 1 50 50 ALA H H 1 8.250 0.03 . 1 . . . . . 50 ALA H . 15811 1 569 . 1 1 50 50 ALA HA H 1 4.264 0.03 . 1 . . . . . 50 ALA HA . 15811 1 570 . 1 1 50 50 ALA HB1 H 1 1.343 0.03 . 1 . . . . . 50 ALA HB . 15811 1 571 . 1 1 50 50 ALA HB2 H 1 1.343 0.03 . 1 . . . . . 50 ALA HB . 15811 1 572 . 1 1 50 50 ALA HB3 H 1 1.343 0.03 . 1 . . . . . 50 ALA HB . 15811 1 573 . 1 1 50 50 ALA C C 13 177.617 0.3 . 1 . . . . . 50 ALA C . 15811 1 574 . 1 1 50 50 ALA CA C 13 52.490 0.3 . 1 . . . . . 50 ALA CA . 15811 1 575 . 1 1 50 50 ALA CB C 13 19.420 0.3 . 1 . . . . . 50 ALA CB . 15811 1 576 . 1 1 50 50 ALA N N 15 125.681 0.3 . 1 . . . . . 50 ALA N . 15811 1 577 . 1 1 51 51 LYS H H 1 8.279 0.03 . 1 . . . . . 51 LYS H . 15811 1 578 . 1 1 51 51 LYS HA H 1 4.296 0.03 . 1 . . . . . 51 LYS HA . 15811 1 579 . 1 1 51 51 LYS HB2 H 1 1.713 0.03 . 2 . . . . . 51 LYS HB2 . 15811 1 580 . 1 1 51 51 LYS HB3 H 1 1.713 0.03 . 2 . . . . . 51 LYS HB3 . 15811 1 581 . 1 1 51 51 LYS HE2 H 1 2.931 0.03 . 2 . . . . . 51 LYS HE2 . 15811 1 582 . 1 1 51 51 LYS HE3 H 1 2.931 0.03 . 2 . . . . . 51 LYS HE3 . 15811 1 583 . 1 1 51 51 LYS HG2 H 1 1.378 0.03 . 2 . . . . . 51 LYS HG2 . 15811 1 584 . 1 1 51 51 LYS HG3 H 1 1.378 0.03 . 2 . . . . . 51 LYS HG3 . 15811 1 585 . 1 1 51 51 LYS C C 13 176.562 0.3 . 1 . . . . . 51 LYS C . 15811 1 586 . 1 1 51 51 LYS CA C 13 56.300 0.3 . 1 . . . . . 51 LYS CA . 15811 1 587 . 1 1 51 51 LYS CB C 13 33.090 0.3 . 1 . . . . . 51 LYS CB . 15811 1 588 . 1 1 51 51 LYS CD C 13 29.580 0.3 . 1 . . . . . 51 LYS CD . 15811 1 589 . 1 1 51 51 LYS CE C 13 42.070 0.3 . 1 . . . . . 51 LYS CE . 15811 1 590 . 1 1 51 51 LYS CG C 13 24.720 0.3 . 1 . . . . . 51 LYS CG . 15811 1 591 . 1 1 51 51 LYS N N 15 121.304 0.3 . 1 . . . . . 51 LYS N . 15811 1 592 . 1 1 52 52 LYS H H 1 8.312 0.03 . 1 . . . . . 52 LYS H . 15811 1 593 . 1 1 52 52 LYS HA H 1 4.298 0.03 . 1 . . . . . 52 LYS HA . 15811 1 594 . 1 1 52 52 LYS HB2 H 1 1.727 0.03 . 2 . . . . . 52 LYS HB2 . 15811 1 595 . 1 1 52 52 LYS HB3 H 1 1.727 0.03 . 2 . . . . . 52 LYS HB3 . 15811 1 596 . 1 1 52 52 LYS HE2 H 1 2.923 0.03 . 2 . . . . . 52 LYS HE2 . 15811 1 597 . 1 1 52 52 LYS HE3 H 1 2.923 0.03 . 2 . . . . . 52 LYS HE3 . 15811 1 598 . 1 1 52 52 LYS C C 13 176.530 0.3 . 1 . . . . . 52 LYS C . 15811 1 599 . 1 1 52 52 LYS CA C 13 56.140 0.3 . 1 . . . . . 52 LYS CA . 15811 1 600 . 1 1 52 52 LYS CB C 13 33.180 0.3 . 1 . . . . . 52 LYS CB . 15811 1 601 . 1 1 52 52 LYS CE C 13 42.070 0.3 . 1 . . . . . 52 LYS CE . 15811 1 602 . 1 1 52 52 LYS CG C 13 24.770 0.3 . 1 . . . . . 52 LYS CG . 15811 1 603 . 1 1 52 52 LYS N N 15 123.129 0.3 . 1 . . . . . 52 LYS N . 15811 1 604 . 1 1 53 53 SER H H 1 8.309 0.03 . 1 . . . . . 53 SER H . 15811 1 605 . 1 1 53 53 SER HA H 1 4.399 0.03 . 1 . . . . . 53 SER HA . 15811 1 606 . 1 1 53 53 SER HB2 H 1 3.829 0.03 . 2 . . . . . 53 SER HB2 . 15811 1 607 . 1 1 53 53 SER HB3 H 1 3.797 0.03 . 2 . . . . . 53 SER HB3 . 15811 1 608 . 1 1 53 53 SER C C 13 174.531 0.3 . 1 . . . . . 53 SER C . 15811 1 609 . 1 1 53 53 SER CA C 13 58.140 0.3 . 1 . . . . . 53 SER CA . 15811 1 610 . 1 1 53 53 SER CB C 13 63.780 0.3 . 1 . . . . . 53 SER CB . 15811 1 611 . 1 1 53 53 SER N N 15 117.625 0.3 . 1 . . . . . 53 SER N . 15811 1 612 . 1 1 54 54 LYS H H 1 8.409 0.03 . 1 . . . . . 54 LYS H . 15811 1 613 . 1 1 54 54 LYS HA H 1 4.338 0.03 . 1 . . . . . 54 LYS HA . 15811 1 614 . 1 1 54 54 LYS HB2 H 1 1.767 0.03 . 2 . . . . . 54 LYS HB2 . 15811 1 615 . 1 1 54 54 LYS HB3 H 1 1.767 0.03 . 2 . . . . . 54 LYS HB3 . 15811 1 616 . 1 1 54 54 LYS HE2 H 1 2.937 0.03 . 2 . . . . . 54 LYS HE2 . 15811 1 617 . 1 1 54 54 LYS HE3 H 1 2.937 0.03 . 2 . . . . . 54 LYS HE3 . 15811 1 618 . 1 1 54 54 LYS CA C 13 56.650 0.3 . 1 . . . . . 54 LYS CA . 15811 1 619 . 1 1 54 54 LYS CB C 13 32.920 0.3 . 1 . . . . . 54 LYS CB . 15811 1 620 . 1 1 54 54 LYS CE C 13 42.070 0.3 . 1 . . . . . 54 LYS CE . 15811 1 621 . 1 1 54 54 LYS N N 15 123.196 0.3 . 1 . . . . . 54 LYS N . 15811 1 622 . 1 1 55 55 SER H H 1 8.323 0.03 . 1 . . . . . 55 SER H . 15811 1 623 . 1 1 55 55 SER HA H 1 4.419 0.03 . 1 . . . . . 55 SER HA . 15811 1 624 . 1 1 55 55 SER HB2 H 1 3.827 0.03 . 2 . . . . . 55 SER HB2 . 15811 1 625 . 1 1 55 55 SER HB3 H 1 3.827 0.03 . 2 . . . . . 55 SER HB3 . 15811 1 626 . 1 1 55 55 SER CA C 13 58.480 0.3 . 1 . . . . . 55 SER CA . 15811 1 627 . 1 1 55 55 SER CB C 13 64.168 0.3 . 1 . . . . . 55 SER CB . 15811 1 628 . 1 1 55 55 SER N N 15 116.817 0.3 . 1 . . . . . 55 SER N . 15811 1 stop_ save_