################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11196 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 11196 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11196 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11196 1 2 $NMRPipe . . 11196 1 3 $NMRView . . 11196 1 4 $Kujira . . 11196 1 5 $CYANA . . 11196 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 6 6 SER HA H 1 4.615 0.030 . 1 . . . . 6 SER HA . 11196 1 2 . 1 1 6 6 SER HB2 H 1 3.975 0.030 . 1 . . . . 6 SER HB2 . 11196 1 3 . 1 1 6 6 SER HB3 H 1 3.975 0.030 . 1 . . . . 6 SER HB3 . 11196 1 4 . 1 1 6 6 SER C C 13 174.611 0.300 . 1 . . . . 6 SER C . 11196 1 5 . 1 1 6 6 SER CA C 13 58.453 0.300 . 1 . . . . 6 SER CA . 11196 1 6 . 1 1 6 6 SER CB C 13 63.956 0.300 . 1 . . . . 6 SER CB . 11196 1 7 . 1 1 7 7 GLY H H 1 8.392 0.030 . 1 . . . . 7 GLY H . 11196 1 8 . 1 1 7 7 GLY HA2 H 1 3.331 0.030 . 2 . . . . 7 GLY HA2 . 11196 1 9 . 1 1 7 7 GLY HA3 H 1 4.098 0.030 . 2 . . . . 7 GLY HA3 . 11196 1 10 . 1 1 7 7 GLY C C 13 172.933 0.300 . 1 . . . . 7 GLY C . 11196 1 11 . 1 1 7 7 GLY CA C 13 45.179 0.300 . 1 . . . . 7 GLY CA . 11196 1 12 . 1 1 7 7 GLY N N 15 110.962 0.300 . 1 . . . . 7 GLY N . 11196 1 13 . 1 1 8 8 LYS H H 1 8.571 0.030 . 1 . . . . 8 LYS H . 11196 1 14 . 1 1 8 8 LYS HA H 1 4.563 0.030 . 1 . . . . 8 LYS HA . 11196 1 15 . 1 1 8 8 LYS HB2 H 1 1.530 0.030 . 2 . . . . 8 LYS HB2 . 11196 1 16 . 1 1 8 8 LYS HB3 H 1 1.636 0.030 . 2 . . . . 8 LYS HB3 . 11196 1 17 . 1 1 8 8 LYS HD2 H 1 1.581 0.030 . 1 . . . . 8 LYS HD2 . 11196 1 18 . 1 1 8 8 LYS HD3 H 1 1.581 0.030 . 1 . . . . 8 LYS HD3 . 11196 1 19 . 1 1 8 8 LYS HE2 H 1 2.889 0.030 . 1 . . . . 8 LYS HE2 . 11196 1 20 . 1 1 8 8 LYS HE3 H 1 2.889 0.030 . 1 . . . . 8 LYS HE3 . 11196 1 21 . 1 1 8 8 LYS HG2 H 1 1.281 0.030 . 1 . . . . 8 LYS HG2 . 11196 1 22 . 1 1 8 8 LYS HG3 H 1 1.281 0.030 . 1 . . . . 8 LYS HG3 . 11196 1 23 . 1 1 8 8 LYS C C 13 174.661 0.300 . 1 . . . . 8 LYS C . 11196 1 24 . 1 1 8 8 LYS CA C 13 54.663 0.300 . 1 . . . . 8 LYS CA . 11196 1 25 . 1 1 8 8 LYS CB C 13 35.056 0.300 . 1 . . . . 8 LYS CB . 11196 1 26 . 1 1 8 8 LYS CD C 13 29.226 0.300 . 1 . . . . 8 LYS CD . 11196 1 27 . 1 1 8 8 LYS CE C 13 42.079 0.300 . 1 . . . . 8 LYS CE . 11196 1 28 . 1 1 8 8 LYS CG C 13 24.459 0.300 . 1 . . . . 8 LYS CG . 11196 1 29 . 1 1 8 8 LYS N N 15 122.375 0.300 . 1 . . . . 8 LYS N . 11196 1 30 . 1 1 9 9 ILE H H 1 8.293 0.030 . 1 . . . . 9 ILE H . 11196 1 31 . 1 1 9 9 ILE HA H 1 4.460 0.030 . 1 . . . . 9 ILE HA . 11196 1 32 . 1 1 9 9 ILE HB H 1 1.697 0.030 . 1 . . . . 9 ILE HB . 11196 1 33 . 1 1 9 9 ILE HD11 H 1 0.794 0.030 . 1 . . . . 9 ILE HD1 . 11196 1 34 . 1 1 9 9 ILE HD12 H 1 0.794 0.030 . 1 . . . . 9 ILE HD1 . 11196 1 35 . 1 1 9 9 ILE HD13 H 1 0.794 0.030 . 1 . . . . 9 ILE HD1 . 11196 1 36 . 1 1 9 9 ILE HG12 H 1 1.037 0.030 . 2 . . . . 9 ILE HG12 . 11196 1 37 . 1 1 9 9 ILE HG13 H 1 1.544 0.030 . 2 . . . . 9 ILE HG13 . 11196 1 38 . 1 1 9 9 ILE HG21 H 1 0.806 0.030 . 1 . . . . 9 ILE HG2 . 11196 1 39 . 1 1 9 9 ILE HG22 H 1 0.806 0.030 . 1 . . . . 9 ILE HG2 . 11196 1 40 . 1 1 9 9 ILE HG23 H 1 0.806 0.030 . 1 . . . . 9 ILE HG2 . 11196 1 41 . 1 1 9 9 ILE C C 13 175.654 0.300 . 1 . . . . 9 ILE C . 11196 1 42 . 1 1 9 9 ILE CA C 13 61.370 0.300 . 1 . . . . 9 ILE CA . 11196 1 43 . 1 1 9 9 ILE CB C 13 38.275 0.300 . 1 . . . . 9 ILE CB . 11196 1 44 . 1 1 9 9 ILE CD1 C 13 12.960 0.300 . 1 . . . . 9 ILE CD1 . 11196 1 45 . 1 1 9 9 ILE CG1 C 13 27.852 0.300 . 1 . . . . 9 ILE CG1 . 11196 1 46 . 1 1 9 9 ILE CG2 C 13 18.525 0.300 . 1 . . . . 9 ILE CG2 . 11196 1 47 . 1 1 9 9 ILE N N 15 123.561 0.300 . 1 . . . . 9 ILE N . 11196 1 48 . 1 1 10 10 MET H H 1 9.020 0.030 . 1 . . . . 10 MET H . 11196 1 49 . 1 1 10 10 MET HA H 1 4.857 0.030 . 1 . . . . 10 MET HA . 11196 1 50 . 1 1 10 10 MET HB2 H 1 1.482 0.030 . 2 . . . . 10 MET HB2 . 11196 1 51 . 1 1 10 10 MET HB3 H 1 1.879 0.030 . 2 . . . . 10 MET HB3 . 11196 1 52 . 1 1 10 10 MET HE1 H 1 1.381 0.030 . 1 . . . . 10 MET HE . 11196 1 53 . 1 1 10 10 MET HE2 H 1 1.381 0.030 . 1 . . . . 10 MET HE . 11196 1 54 . 1 1 10 10 MET HE3 H 1 1.381 0.030 . 1 . . . . 10 MET HE . 11196 1 55 . 1 1 10 10 MET HG2 H 1 2.035 0.030 . 2 . . . . 10 MET HG2 . 11196 1 56 . 1 1 10 10 MET HG3 H 1 2.178 0.030 . 2 . . . . 10 MET HG3 . 11196 1 57 . 1 1 10 10 MET C C 13 172.995 0.300 . 1 . . . . 10 MET C . 11196 1 58 . 1 1 10 10 MET CA C 13 53.980 0.300 . 1 . . . . 10 MET CA . 11196 1 59 . 1 1 10 10 MET CB C 13 37.862 0.300 . 1 . . . . 10 MET CB . 11196 1 60 . 1 1 10 10 MET CE C 13 17.520 0.300 . 1 . . . . 10 MET CE . 11196 1 61 . 1 1 10 10 MET CG C 13 33.639 0.300 . 1 . . . . 10 MET CG . 11196 1 62 . 1 1 10 10 MET N N 15 126.074 0.300 . 1 . . . . 10 MET N . 11196 1 63 . 1 1 11 11 ILE H H 1 8.809 0.030 . 1 . . . . 11 ILE H . 11196 1 64 . 1 1 11 11 ILE HA H 1 5.137 0.030 . 1 . . . . 11 ILE HA . 11196 1 65 . 1 1 11 11 ILE HB H 1 1.631 0.030 . 1 . . . . 11 ILE HB . 11196 1 66 . 1 1 11 11 ILE HD11 H 1 0.774 0.030 . 1 . . . . 11 ILE HD1 . 11196 1 67 . 1 1 11 11 ILE HD12 H 1 0.774 0.030 . 1 . . . . 11 ILE HD1 . 11196 1 68 . 1 1 11 11 ILE HD13 H 1 0.774 0.030 . 1 . . . . 11 ILE HD1 . 11196 1 69 . 1 1 11 11 ILE HG12 H 1 1.358 0.030 . 2 . . . . 11 ILE HG12 . 11196 1 70 . 1 1 11 11 ILE HG13 H 1 1.039 0.030 . 2 . . . . 11 ILE HG13 . 11196 1 71 . 1 1 11 11 ILE HG21 H 1 0.740 0.030 . 1 . . . . 11 ILE HG2 . 11196 1 72 . 1 1 11 11 ILE HG22 H 1 0.740 0.030 . 1 . . . . 11 ILE HG2 . 11196 1 73 . 1 1 11 11 ILE HG23 H 1 0.740 0.030 . 1 . . . . 11 ILE HG2 . 11196 1 74 . 1 1 11 11 ILE C C 13 176.224 0.300 . 1 . . . . 11 ILE C . 11196 1 75 . 1 1 11 11 ILE CA C 13 58.159 0.300 . 1 . . . . 11 ILE CA . 11196 1 76 . 1 1 11 11 ILE CB C 13 40.852 0.300 . 1 . . . . 11 ILE CB . 11196 1 77 . 1 1 11 11 ILE CD1 C 13 13.135 0.300 . 1 . . . . 11 ILE CD1 . 11196 1 78 . 1 1 11 11 ILE CG1 C 13 27.975 0.300 . 1 . . . . 11 ILE CG1 . 11196 1 79 . 1 1 11 11 ILE CG2 C 13 16.726 0.300 . 1 . . . . 11 ILE CG2 . 11196 1 80 . 1 1 11 11 ILE N N 15 118.667 0.300 . 1 . . . . 11 ILE N . 11196 1 81 . 1 1 12 12 ALA H H 1 9.112 0.030 . 1 . . . . 12 ALA H . 11196 1 82 . 1 1 12 12 ALA HA H 1 4.551 0.030 . 1 . . . . 12 ALA HA . 11196 1 83 . 1 1 12 12 ALA HB1 H 1 1.455 0.030 . 1 . . . . 12 ALA HB . 11196 1 84 . 1 1 12 12 ALA HB2 H 1 1.455 0.030 . 1 . . . . 12 ALA HB . 11196 1 85 . 1 1 12 12 ALA HB3 H 1 1.455 0.030 . 1 . . . . 12 ALA HB . 11196 1 86 . 1 1 12 12 ALA C C 13 178.173 0.300 . 1 . . . . 12 ALA C . 11196 1 87 . 1 1 12 12 ALA CA C 13 52.338 0.300 . 1 . . . . 12 ALA CA . 11196 1 88 . 1 1 12 12 ALA CB C 13 19.507 0.300 . 1 . . . . 12 ALA CB . 11196 1 89 . 1 1 12 12 ALA N N 15 129.126 0.300 . 1 . . . . 12 ALA N . 11196 1 90 . 1 1 13 13 ALA H H 1 9.445 0.030 . 1 . . . . 13 ALA H . 11196 1 91 . 1 1 13 13 ALA HA H 1 4.260 0.030 . 1 . . . . 13 ALA HA . 11196 1 92 . 1 1 13 13 ALA HB1 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11196 1 93 . 1 1 13 13 ALA HB2 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11196 1 94 . 1 1 13 13 ALA HB3 H 1 1.333 0.030 . 1 . . . . 13 ALA HB . 11196 1 95 . 1 1 13 13 ALA C C 13 176.698 0.300 . 1 . . . . 13 ALA C . 11196 1 96 . 1 1 13 13 ALA CA C 13 53.351 0.300 . 1 . . . . 13 ALA CA . 11196 1 97 . 1 1 13 13 ALA CB C 13 20.108 0.300 . 1 . . . . 13 ALA CB . 11196 1 98 . 1 1 13 13 ALA N N 15 129.181 0.300 . 1 . . . . 13 ALA N . 11196 1 99 . 1 1 14 14 LEU H H 1 7.185 0.030 . 1 . . . . 14 LEU H . 11196 1 100 . 1 1 14 14 LEU HA H 1 4.516 0.030 . 1 . . . . 14 LEU HA . 11196 1 101 . 1 1 14 14 LEU HB2 H 1 1.453 0.030 . 2 . . . . 14 LEU HB2 . 11196 1 102 . 1 1 14 14 LEU HB3 H 1 1.756 0.030 . 2 . . . . 14 LEU HB3 . 11196 1 103 . 1 1 14 14 LEU HD11 H 1 0.943 0.030 . 1 . . . . 14 LEU HD1 . 11196 1 104 . 1 1 14 14 LEU HD12 H 1 0.943 0.030 . 1 . . . . 14 LEU HD1 . 11196 1 105 . 1 1 14 14 LEU HD13 H 1 0.943 0.030 . 1 . . . . 14 LEU HD1 . 11196 1 106 . 1 1 14 14 LEU HD21 H 1 0.994 0.030 . 1 . . . . 14 LEU HD2 . 11196 1 107 . 1 1 14 14 LEU HD22 H 1 0.994 0.030 . 1 . . . . 14 LEU HD2 . 11196 1 108 . 1 1 14 14 LEU HD23 H 1 0.994 0.030 . 1 . . . . 14 LEU HD2 . 11196 1 109 . 1 1 14 14 LEU HG H 1 1.617 0.030 . 1 . . . . 14 LEU HG . 11196 1 110 . 1 1 14 14 LEU C C 13 173.802 0.300 . 1 . . . . 14 LEU C . 11196 1 111 . 1 1 14 14 LEU CA C 13 53.038 0.300 . 1 . . . . 14 LEU CA . 11196 1 112 . 1 1 14 14 LEU CB C 13 47.635 0.300 . 1 . . . . 14 LEU CB . 11196 1 113 . 1 1 14 14 LEU CD1 C 13 25.488 0.300 . 2 . . . . 14 LEU CD1 . 11196 1 114 . 1 1 14 14 LEU CD2 C 13 24.390 0.300 . 2 . . . . 14 LEU CD2 . 11196 1 115 . 1 1 14 14 LEU CG C 13 26.982 0.300 . 1 . . . . 14 LEU CG . 11196 1 116 . 1 1 14 14 LEU N N 15 115.232 0.300 . 1 . . . . 14 LEU N . 11196 1 117 . 1 1 15 15 ASP H H 1 7.871 0.030 . 1 . . . . 15 ASP H . 11196 1 118 . 1 1 15 15 ASP HA H 1 4.461 0.030 . 1 . . . . 15 ASP HA . 11196 1 119 . 1 1 15 15 ASP HB2 H 1 2.565 0.030 . 2 . . . . 15 ASP HB2 . 11196 1 120 . 1 1 15 15 ASP HB3 H 1 2.725 0.030 . 2 . . . . 15 ASP HB3 . 11196 1 121 . 1 1 15 15 ASP C C 13 175.908 0.300 . 1 . . . . 15 ASP C . 11196 1 122 . 1 1 15 15 ASP CA C 13 54.308 0.300 . 1 . . . . 15 ASP CA . 11196 1 123 . 1 1 15 15 ASP CB C 13 41.542 0.300 . 1 . . . . 15 ASP CB . 11196 1 124 . 1 1 15 15 ASP N N 15 116.288 0.300 . 1 . . . . 15 ASP N . 11196 1 125 . 1 1 16 16 TYR H H 1 8.940 0.030 . 1 . . . . 16 TYR H . 11196 1 126 . 1 1 16 16 TYR HA H 1 4.713 0.030 . 1 . . . . 16 TYR HA . 11196 1 127 . 1 1 16 16 TYR HB2 H 1 3.000 0.030 . 2 . . . . 16 TYR HB2 . 11196 1 128 . 1 1 16 16 TYR HB3 H 1 2.579 0.030 . 2 . . . . 16 TYR HB3 . 11196 1 129 . 1 1 16 16 TYR HD1 H 1 7.302 0.030 . 1 . . . . 16 TYR HD1 . 11196 1 130 . 1 1 16 16 TYR HD2 H 1 7.302 0.030 . 1 . . . . 16 TYR HD2 . 11196 1 131 . 1 1 16 16 TYR HE1 H 1 6.876 0.030 . 1 . . . . 16 TYR HE1 . 11196 1 132 . 1 1 16 16 TYR HE2 H 1 6.876 0.030 . 1 . . . . 16 TYR HE2 . 11196 1 133 . 1 1 16 16 TYR C C 13 172.819 0.300 . 1 . . . . 16 TYR C . 11196 1 134 . 1 1 16 16 TYR CA C 13 57.537 0.300 . 1 . . . . 16 TYR CA . 11196 1 135 . 1 1 16 16 TYR CB C 13 42.319 0.300 . 1 . . . . 16 TYR CB . 11196 1 136 . 1 1 16 16 TYR CD1 C 13 133.527 0.300 . 1 . . . . 16 TYR CD1 . 11196 1 137 . 1 1 16 16 TYR CD2 C 13 133.527 0.300 . 1 . . . . 16 TYR CD2 . 11196 1 138 . 1 1 16 16 TYR CE1 C 13 118.000 0.300 . 1 . . . . 16 TYR CE1 . 11196 1 139 . 1 1 16 16 TYR CE2 C 13 118.000 0.300 . 1 . . . . 16 TYR CE2 . 11196 1 140 . 1 1 16 16 TYR N N 15 120.767 0.300 . 1 . . . . 16 TYR N . 11196 1 141 . 1 1 17 17 ASP H H 1 8.293 0.030 . 1 . . . . 17 ASP H . 11196 1 142 . 1 1 17 17 ASP HA H 1 4.988 0.030 . 1 . . . . 17 ASP HA . 11196 1 143 . 1 1 17 17 ASP HB2 H 1 2.441 0.030 . 2 . . . . 17 ASP HB2 . 11196 1 144 . 1 1 17 17 ASP HB3 H 1 2.668 0.030 . 2 . . . . 17 ASP HB3 . 11196 1 145 . 1 1 17 17 ASP C C 13 173.957 0.300 . 1 . . . . 17 ASP C . 11196 1 146 . 1 1 17 17 ASP CA C 13 49.705 0.300 . 1 . . . . 17 ASP CA . 11196 1 147 . 1 1 17 17 ASP CB C 13 42.293 0.300 . 1 . . . . 17 ASP CB . 11196 1 148 . 1 1 17 17 ASP N N 15 127.527 0.300 . 1 . . . . 17 ASP N . 11196 1 149 . 1 1 18 18 PRO HA H 1 4.070 0.030 . 1 . . . . 18 PRO HA . 11196 1 150 . 1 1 18 18 PRO HB2 H 1 1.941 0.030 . 2 . . . . 18 PRO HB2 . 11196 1 151 . 1 1 18 18 PRO HB3 H 1 2.115 0.030 . 2 . . . . 18 PRO HB3 . 11196 1 152 . 1 1 18 18 PRO HD2 H 1 3.760 0.030 . 2 . . . . 18 PRO HD2 . 11196 1 153 . 1 1 18 18 PRO HD3 H 1 3.110 0.030 . 2 . . . . 18 PRO HD3 . 11196 1 154 . 1 1 18 18 PRO HG2 H 1 1.839 0.030 . 2 . . . . 18 PRO HG2 . 11196 1 155 . 1 1 18 18 PRO HG3 H 1 1.675 0.030 . 2 . . . . 18 PRO HG3 . 11196 1 156 . 1 1 18 18 PRO C C 13 177.139 0.300 . 1 . . . . 18 PRO C . 11196 1 157 . 1 1 18 18 PRO CA C 13 62.968 0.300 . 1 . . . . 18 PRO CA . 11196 1 158 . 1 1 18 18 PRO CB C 13 32.311 0.300 . 1 . . . . 18 PRO CB . 11196 1 159 . 1 1 18 18 PRO CD C 13 50.139 0.300 . 1 . . . . 18 PRO CD . 11196 1 160 . 1 1 18 18 PRO CG C 13 26.070 0.300 . 1 . . . . 18 PRO CG . 11196 1 161 . 1 1 19 19 GLY H H 1 8.232 0.030 . 1 . . . . 19 GLY H . 11196 1 162 . 1 1 19 19 GLY HA2 H 1 3.798 0.030 . 2 . . . . 19 GLY HA2 . 11196 1 163 . 1 1 19 19 GLY HA3 H 1 3.933 0.030 . 2 . . . . 19 GLY HA3 . 11196 1 164 . 1 1 19 19 GLY C C 13 174.214 0.300 . 1 . . . . 19 GLY C . 11196 1 165 . 1 1 19 19 GLY CA C 13 45.253 0.300 . 1 . . . . 19 GLY CA . 11196 1 166 . 1 1 19 19 GLY N N 15 108.053 0.300 . 1 . . . . 19 GLY N . 11196 1 167 . 1 1 20 20 ASP H H 1 8.112 0.030 . 1 . . . . 20 ASP H . 11196 1 168 . 1 1 20 20 ASP HA H 1 4.556 0.030 . 1 . . . . 20 ASP HA . 11196 1 169 . 1 1 20 20 ASP HB2 H 1 2.707 0.030 . 1 . . . . 20 ASP HB2 . 11196 1 170 . 1 1 20 20 ASP HB3 H 1 2.707 0.030 . 1 . . . . 20 ASP HB3 . 11196 1 171 . 1 1 20 20 ASP C C 13 177.329 0.300 . 1 . . . . 20 ASP C . 11196 1 172 . 1 1 20 20 ASP CA C 13 54.532 0.300 . 1 . . . . 20 ASP CA . 11196 1 173 . 1 1 20 20 ASP CB C 13 41.231 0.300 . 1 . . . . 20 ASP CB . 11196 1 174 . 1 1 20 20 ASP N N 15 120.377 0.300 . 1 . . . . 20 ASP N . 11196 1 175 . 1 1 21 21 GLY H H 1 8.510 0.030 . 1 . . . . 21 GLY H . 11196 1 176 . 1 1 21 21 GLY HA2 H 1 3.940 0.030 . 1 . . . . 21 GLY HA2 . 11196 1 177 . 1 1 21 21 GLY HA3 H 1 3.940 0.030 . 1 . . . . 21 GLY HA3 . 11196 1 178 . 1 1 21 21 GLY C C 13 174.802 0.300 . 1 . . . . 21 GLY C . 11196 1 179 . 1 1 21 21 GLY CA C 13 45.761 0.300 . 1 . . . . 21 GLY CA . 11196 1 180 . 1 1 21 21 GLY N N 15 109.478 0.300 . 1 . . . . 21 GLY N . 11196 1 181 . 1 1 22 22 GLN H H 1 8.277 0.030 . 1 . . . . 22 GLN H . 11196 1 182 . 1 1 22 22 GLN HA H 1 4.345 0.030 . 1 . . . . 22 GLN HA . 11196 1 183 . 1 1 22 22 GLN HB2 H 1 2.016 0.030 . 2 . . . . 22 GLN HB2 . 11196 1 184 . 1 1 22 22 GLN HB3 H 1 2.166 0.030 . 2 . . . . 22 GLN HB3 . 11196 1 185 . 1 1 22 22 GLN HE21 H 1 6.858 0.030 . 2 . . . . 22 GLN HE21 . 11196 1 186 . 1 1 22 22 GLN HE22 H 1 7.586 0.030 . 2 . . . . 22 GLN HE22 . 11196 1 187 . 1 1 22 22 GLN HG2 H 1 2.331 0.030 . 2 . . . . 22 GLN HG2 . 11196 1 188 . 1 1 22 22 GLN HG3 H 1 2.367 0.030 . 2 . . . . 22 GLN HG3 . 11196 1 189 . 1 1 22 22 GLN C C 13 176.493 0.300 . 1 . . . . 22 GLN C . 11196 1 190 . 1 1 22 22 GLN CA C 13 56.159 0.300 . 1 . . . . 22 GLN CA . 11196 1 191 . 1 1 22 22 GLN CB C 13 29.166 0.300 . 1 . . . . 22 GLN CB . 11196 1 192 . 1 1 22 22 GLN CG C 13 33.848 0.300 . 1 . . . . 22 GLN CG . 11196 1 193 . 1 1 22 22 GLN N N 15 119.246 0.300 . 1 . . . . 22 GLN N . 11196 1 194 . 1 1 22 22 GLN NE2 N 15 112.623 0.300 . 1 . . . . 22 GLN NE2 . 11196 1 195 . 1 1 23 23 MET H H 1 8.433 0.030 . 1 . . . . 23 MET H . 11196 1 196 . 1 1 23 23 MET HA H 1 4.503 0.030 . 1 . . . . 23 MET HA . 11196 1 197 . 1 1 23 23 MET HB2 H 1 2.052 0.030 . 2 . . . . 23 MET HB2 . 11196 1 198 . 1 1 23 23 MET HB3 H 1 2.146 0.030 . 2 . . . . 23 MET HB3 . 11196 1 199 . 1 1 23 23 MET HE1 H 1 2.085 0.030 . 1 . . . . 23 MET HE . 11196 1 200 . 1 1 23 23 MET HE2 H 1 2.085 0.030 . 1 . . . . 23 MET HE . 11196 1 201 . 1 1 23 23 MET HE3 H 1 2.085 0.030 . 1 . . . . 23 MET HE . 11196 1 202 . 1 1 23 23 MET HG2 H 1 2.543 0.030 . 2 . . . . 23 MET HG2 . 11196 1 203 . 1 1 23 23 MET HG3 H 1 2.630 0.030 . 2 . . . . 23 MET HG3 . 11196 1 204 . 1 1 23 23 MET C C 13 176.925 0.300 . 1 . . . . 23 MET C . 11196 1 205 . 1 1 23 23 MET CA C 13 55.668 0.300 . 1 . . . . 23 MET CA . 11196 1 206 . 1 1 23 23 MET CB C 13 32.402 0.300 . 1 . . . . 23 MET CB . 11196 1 207 . 1 1 23 23 MET CE C 13 16.958 0.300 . 1 . . . . 23 MET CE . 11196 1 208 . 1 1 23 23 MET CG C 13 32.181 0.300 . 1 . . . . 23 MET CG . 11196 1 209 . 1 1 23 23 MET N N 15 120.095 0.300 . 1 . . . . 23 MET N . 11196 1 210 . 1 1 24 24 GLY H H 1 8.434 0.030 . 1 . . . . 24 GLY H . 11196 1 211 . 1 1 24 24 GLY HA2 H 1 3.995 0.030 . 1 . . . . 24 GLY HA2 . 11196 1 212 . 1 1 24 24 GLY HA3 H 1 3.995 0.030 . 1 . . . . 24 GLY HA3 . 11196 1 213 . 1 1 24 24 GLY C C 13 174.933 0.300 . 1 . . . . 24 GLY C . 11196 1 214 . 1 1 24 24 GLY CA C 13 45.550 0.300 . 1 . . . . 24 GLY CA . 11196 1 215 . 1 1 24 24 GLY N N 15 109.887 0.300 . 1 . . . . 24 GLY N . 11196 1 216 . 1 1 25 25 GLY H H 1 8.312 0.030 . 1 . . . . 25 GLY H . 11196 1 217 . 1 1 25 25 GLY HA2 H 1 3.978 0.030 . 1 . . . . 25 GLY HA2 . 11196 1 218 . 1 1 25 25 GLY HA3 H 1 3.978 0.030 . 1 . . . . 25 GLY HA3 . 11196 1 219 . 1 1 25 25 GLY C C 13 174.600 0.300 . 1 . . . . 25 GLY C . 11196 1 220 . 1 1 25 25 GLY CA C 13 45.436 0.300 . 1 . . . . 25 GLY CA . 11196 1 221 . 1 1 25 25 GLY N N 15 108.738 0.300 . 1 . . . . 25 GLY N . 11196 1 222 . 1 1 26 26 GLN H H 1 8.396 0.030 . 1 . . . . 26 GLN H . 11196 1 223 . 1 1 26 26 GLN HA H 1 4.331 0.030 . 1 . . . . 26 GLN HA . 11196 1 224 . 1 1 26 26 GLN HB2 H 1 2.009 0.030 . 2 . . . . 26 GLN HB2 . 11196 1 225 . 1 1 26 26 GLN HB3 H 1 2.168 0.030 . 2 . . . . 26 GLN HB3 . 11196 1 226 . 1 1 26 26 GLN HE21 H 1 7.536 0.030 . 2 . . . . 26 GLN HE21 . 11196 1 227 . 1 1 26 26 GLN HE22 H 1 6.864 0.030 . 2 . . . . 26 GLN HE22 . 11196 1 228 . 1 1 26 26 GLN HG2 H 1 2.378 0.030 . 1 . . . . 26 GLN HG2 . 11196 1 229 . 1 1 26 26 GLN HG3 H 1 2.378 0.030 . 1 . . . . 26 GLN HG3 . 11196 1 230 . 1 1 26 26 GLN C C 13 176.607 0.300 . 1 . . . . 26 GLN C . 11196 1 231 . 1 1 26 26 GLN CA C 13 56.227 0.300 . 1 . . . . 26 GLN CA . 11196 1 232 . 1 1 26 26 GLN CB C 13 28.994 0.300 . 1 . . . . 26 GLN CB . 11196 1 233 . 1 1 26 26 GLN CG C 13 33.877 0.300 . 1 . . . . 26 GLN CG . 11196 1 234 . 1 1 26 26 GLN N N 15 119.535 0.300 . 1 . . . . 26 GLN N . 11196 1 235 . 1 1 26 26 GLN NE2 N 15 112.383 0.300 . 1 . . . . 26 GLN NE2 . 11196 1 236 . 1 1 27 27 GLY H H 1 8.495 0.030 . 1 . . . . 27 GLY H . 11196 1 237 . 1 1 27 27 GLY HA2 H 1 3.912 0.030 . 1 . . . . 27 GLY HA2 . 11196 1 238 . 1 1 27 27 GLY HA3 H 1 3.912 0.030 . 1 . . . . 27 GLY HA3 . 11196 1 239 . 1 1 27 27 GLY C C 13 174.313 0.300 . 1 . . . . 27 GLY C . 11196 1 240 . 1 1 27 27 GLY CA C 13 45.751 0.300 . 1 . . . . 27 GLY CA . 11196 1 241 . 1 1 28 28 LYS H H 1 8.014 0.030 . 1 . . . . 28 LYS H . 11196 1 242 . 1 1 28 28 LYS HA H 1 4.350 0.030 . 1 . . . . 28 LYS HA . 11196 1 243 . 1 1 28 28 LYS HB2 H 1 1.716 0.030 . 2 . . . . 28 LYS HB2 . 11196 1 244 . 1 1 28 28 LYS HB3 H 1 1.867 0.030 . 2 . . . . 28 LYS HB3 . 11196 1 245 . 1 1 28 28 LYS HD2 H 1 1.630 0.030 . 1 . . . . 28 LYS HD2 . 11196 1 246 . 1 1 28 28 LYS HD3 H 1 1.630 0.030 . 1 . . . . 28 LYS HD3 . 11196 1 247 . 1 1 28 28 LYS HE2 H 1 2.941 0.030 . 1 . . . . 28 LYS HE2 . 11196 1 248 . 1 1 28 28 LYS HE3 H 1 2.941 0.030 . 1 . . . . 28 LYS HE3 . 11196 1 249 . 1 1 28 28 LYS HG2 H 1 1.365 0.030 . 2 . . . . 28 LYS HG2 . 11196 1 250 . 1 1 28 28 LYS HG3 H 1 1.446 0.030 . 2 . . . . 28 LYS HG3 . 11196 1 251 . 1 1 28 28 LYS C C 13 177.084 0.300 . 1 . . . . 28 LYS C . 11196 1 252 . 1 1 28 28 LYS CA C 13 56.292 0.300 . 1 . . . . 28 LYS CA . 11196 1 253 . 1 1 28 28 LYS CB C 13 32.929 0.300 . 1 . . . . 28 LYS CB . 11196 1 254 . 1 1 28 28 LYS CD C 13 29.031 0.300 . 1 . . . . 28 LYS CD . 11196 1 255 . 1 1 28 28 LYS CE C 13 42.136 0.300 . 1 . . . . 28 LYS CE . 11196 1 256 . 1 1 28 28 LYS CG C 13 24.908 0.300 . 1 . . . . 28 LYS CG . 11196 1 257 . 1 1 28 28 LYS N N 15 119.990 0.300 . 1 . . . . 28 LYS N . 11196 1 258 . 1 1 29 29 GLY H H 1 8.585 0.030 . 1 . . . . 29 GLY H . 11196 1 259 . 1 1 29 29 GLY HA2 H 1 4.039 0.030 . 1 . . . . 29 GLY HA2 . 11196 1 260 . 1 1 29 29 GLY HA3 H 1 4.039 0.030 . 1 . . . . 29 GLY HA3 . 11196 1 261 . 1 1 29 29 GLY C C 13 174.188 0.300 . 1 . . . . 29 GLY C . 11196 1 262 . 1 1 29 29 GLY CA C 13 45.499 0.300 . 1 . . . . 29 GLY CA . 11196 1 263 . 1 1 29 29 GLY N N 15 109.510 0.300 . 1 . . . . 29 GLY N . 11196 1 264 . 1 1 30 30 ARG H H 1 8.254 0.030 . 1 . . . . 30 ARG H . 11196 1 265 . 1 1 30 30 ARG HA H 1 5.032 0.030 . 1 . . . . 30 ARG HA . 11196 1 266 . 1 1 30 30 ARG HB2 H 1 1.765 0.030 . 2 . . . . 30 ARG HB2 . 11196 1 267 . 1 1 30 30 ARG HB3 H 1 2.040 0.030 . 2 . . . . 30 ARG HB3 . 11196 1 268 . 1 1 30 30 ARG HD2 H 1 3.136 0.030 . 2 . . . . 30 ARG HD2 . 11196 1 269 . 1 1 30 30 ARG HD3 H 1 3.200 0.030 . 2 . . . . 30 ARG HD3 . 11196 1 270 . 1 1 30 30 ARG HE H 1 7.236 0.030 . 1 . . . . 30 ARG HE . 11196 1 271 . 1 1 30 30 ARG HG2 H 1 1.504 0.030 . 2 . . . . 30 ARG HG2 . 11196 1 272 . 1 1 30 30 ARG HG3 H 1 1.604 0.030 . 2 . . . . 30 ARG HG3 . 11196 1 273 . 1 1 30 30 ARG C C 13 175.785 0.300 . 1 . . . . 30 ARG C . 11196 1 274 . 1 1 30 30 ARG CA C 13 55.055 0.300 . 1 . . . . 30 ARG CA . 11196 1 275 . 1 1 30 30 ARG CB C 13 32.360 0.300 . 1 . . . . 30 ARG CB . 11196 1 276 . 1 1 30 30 ARG CD C 13 43.325 0.300 . 1 . . . . 30 ARG CD . 11196 1 277 . 1 1 30 30 ARG CG C 13 27.742 0.300 . 1 . . . . 30 ARG CG . 11196 1 278 . 1 1 30 30 ARG N N 15 120.185 0.300 . 1 . . . . 30 ARG N . 11196 1 279 . 1 1 30 30 ARG NE N 15 85.560 0.300 . 1 . . . . 30 ARG NE . 11196 1 280 . 1 1 31 31 LEU H H 1 8.201 0.030 . 1 . . . . 31 LEU H . 11196 1 281 . 1 1 31 31 LEU HA H 1 4.368 0.030 . 1 . . . . 31 LEU HA . 11196 1 282 . 1 1 31 31 LEU HB2 H 1 1.402 0.030 . 2 . . . . 31 LEU HB2 . 11196 1 283 . 1 1 31 31 LEU HB3 H 1 1.260 0.030 . 2 . . . . 31 LEU HB3 . 11196 1 284 . 1 1 31 31 LEU HD11 H 1 0.643 0.030 . 1 . . . . 31 LEU HD1 . 11196 1 285 . 1 1 31 31 LEU HD12 H 1 0.643 0.030 . 1 . . . . 31 LEU HD1 . 11196 1 286 . 1 1 31 31 LEU HD13 H 1 0.643 0.030 . 1 . . . . 31 LEU HD1 . 11196 1 287 . 1 1 31 31 LEU HD21 H 1 0.639 0.030 . 1 . . . . 31 LEU HD2 . 11196 1 288 . 1 1 31 31 LEU HD22 H 1 0.639 0.030 . 1 . . . . 31 LEU HD2 . 11196 1 289 . 1 1 31 31 LEU HD23 H 1 0.639 0.030 . 1 . . . . 31 LEU HD2 . 11196 1 290 . 1 1 31 31 LEU HG H 1 1.274 0.030 . 1 . . . . 31 LEU HG . 11196 1 291 . 1 1 31 31 LEU C C 13 174.442 0.300 . 1 . . . . 31 LEU C . 11196 1 292 . 1 1 31 31 LEU CA C 13 53.989 0.300 . 1 . . . . 31 LEU CA . 11196 1 293 . 1 1 31 31 LEU CB C 13 43.488 0.300 . 1 . . . . 31 LEU CB . 11196 1 294 . 1 1 31 31 LEU CD1 C 13 24.856 0.300 . 2 . . . . 31 LEU CD1 . 11196 1 295 . 1 1 31 31 LEU CD2 C 13 23.275 0.300 . 2 . . . . 31 LEU CD2 . 11196 1 296 . 1 1 31 31 LEU CG C 13 26.562 0.300 . 1 . . . . 31 LEU CG . 11196 1 297 . 1 1 31 31 LEU N N 15 123.114 0.300 . 1 . . . . 31 LEU N . 11196 1 298 . 1 1 32 32 ALA H H 1 7.767 0.030 . 1 . . . . 32 ALA H . 11196 1 299 . 1 1 32 32 ALA HA H 1 4.550 0.030 . 1 . . . . 32 ALA HA . 11196 1 300 . 1 1 32 32 ALA HB1 H 1 1.379 0.030 . 1 . . . . 32 ALA HB . 11196 1 301 . 1 1 32 32 ALA HB2 H 1 1.379 0.030 . 1 . . . . 32 ALA HB . 11196 1 302 . 1 1 32 32 ALA HB3 H 1 1.379 0.030 . 1 . . . . 32 ALA HB . 11196 1 303 . 1 1 32 32 ALA C C 13 177.391 0.300 . 1 . . . . 32 ALA C . 11196 1 304 . 1 1 32 32 ALA CA C 13 51.541 0.300 . 1 . . . . 32 ALA CA . 11196 1 305 . 1 1 32 32 ALA CB C 13 19.585 0.300 . 1 . . . . 32 ALA CB . 11196 1 306 . 1 1 32 32 ALA N N 15 122.265 0.300 . 1 . . . . 32 ALA N . 11196 1 307 . 1 1 33 33 LEU H H 1 8.921 0.030 . 1 . . . . 33 LEU H . 11196 1 308 . 1 1 33 33 LEU HA H 1 4.863 0.030 . 1 . . . . 33 LEU HA . 11196 1 309 . 1 1 33 33 LEU HB2 H 1 1.795 0.030 . 2 . . . . 33 LEU HB2 . 11196 1 310 . 1 1 33 33 LEU HB3 H 1 1.378 0.030 . 2 . . . . 33 LEU HB3 . 11196 1 311 . 1 1 33 33 LEU HD11 H 1 0.805 0.030 . 1 . . . . 33 LEU HD1 . 11196 1 312 . 1 1 33 33 LEU HD12 H 1 0.805 0.030 . 1 . . . . 33 LEU HD1 . 11196 1 313 . 1 1 33 33 LEU HD13 H 1 0.805 0.030 . 1 . . . . 33 LEU HD1 . 11196 1 314 . 1 1 33 33 LEU HD21 H 1 0.837 0.030 . 1 . . . . 33 LEU HD2 . 11196 1 315 . 1 1 33 33 LEU HD22 H 1 0.837 0.030 . 1 . . . . 33 LEU HD2 . 11196 1 316 . 1 1 33 33 LEU HD23 H 1 0.837 0.030 . 1 . . . . 33 LEU HD2 . 11196 1 317 . 1 1 33 33 LEU HG H 1 1.852 0.030 . 1 . . . . 33 LEU HG . 11196 1 318 . 1 1 33 33 LEU C C 13 176.759 0.300 . 1 . . . . 33 LEU C . 11196 1 319 . 1 1 33 33 LEU CA C 13 53.656 0.300 . 1 . . . . 33 LEU CA . 11196 1 320 . 1 1 33 33 LEU CB C 13 46.639 0.300 . 1 . . . . 33 LEU CB . 11196 1 321 . 1 1 33 33 LEU CD1 C 13 26.284 0.300 . 2 . . . . 33 LEU CD1 . 11196 1 322 . 1 1 33 33 LEU CD2 C 13 24.900 0.300 . 2 . . . . 33 LEU CD2 . 11196 1 323 . 1 1 33 33 LEU CG C 13 26.286 0.300 . 1 . . . . 33 LEU CG . 11196 1 324 . 1 1 33 33 LEU N N 15 118.126 0.300 . 1 . . . . 33 LEU N . 11196 1 325 . 1 1 34 34 ARG H H 1 9.121 0.030 . 1 . . . . 34 ARG H . 11196 1 326 . 1 1 34 34 ARG HA H 1 4.872 0.030 . 1 . . . . 34 ARG HA . 11196 1 327 . 1 1 34 34 ARG HB2 H 1 1.716 0.030 . 1 . . . . 34 ARG HB2 . 11196 1 328 . 1 1 34 34 ARG HB3 H 1 1.716 0.030 . 1 . . . . 34 ARG HB3 . 11196 1 329 . 1 1 34 34 ARG HD2 H 1 3.193 0.030 . 1 . . . . 34 ARG HD2 . 11196 1 330 . 1 1 34 34 ARG HD3 H 1 3.193 0.030 . 1 . . . . 34 ARG HD3 . 11196 1 331 . 1 1 34 34 ARG HG2 H 1 1.584 0.030 . 2 . . . . 34 ARG HG2 . 11196 1 332 . 1 1 34 34 ARG HG3 H 1 1.677 0.030 . 2 . . . . 34 ARG HG3 . 11196 1 333 . 1 1 34 34 ARG C C 13 175.505 0.300 . 1 . . . . 34 ARG C . 11196 1 334 . 1 1 34 34 ARG CA C 13 53.113 0.300 . 1 . . . . 34 ARG CA . 11196 1 335 . 1 1 34 34 ARG CB C 13 31.425 0.300 . 1 . . . . 34 ARG CB . 11196 1 336 . 1 1 34 34 ARG CD C 13 42.969 0.300 . 1 . . . . 34 ARG CD . 11196 1 337 . 1 1 34 34 ARG CG C 13 26.730 0.300 . 1 . . . . 34 ARG CG . 11196 1 338 . 1 1 34 34 ARG N N 15 124.059 0.300 . 1 . . . . 34 ARG N . 11196 1 339 . 1 1 35 35 ALA H H 1 8.843 0.030 . 1 . . . . 35 ALA H . 11196 1 340 . 1 1 35 35 ALA HA H 1 3.394 0.030 . 1 . . . . 35 ALA HA . 11196 1 341 . 1 1 35 35 ALA HB1 H 1 1.161 0.030 . 1 . . . . 35 ALA HB . 11196 1 342 . 1 1 35 35 ALA HB2 H 1 1.161 0.030 . 1 . . . . 35 ALA HB . 11196 1 343 . 1 1 35 35 ALA HB3 H 1 1.161 0.030 . 1 . . . . 35 ALA HB . 11196 1 344 . 1 1 35 35 ALA C C 13 178.716 0.300 . 1 . . . . 35 ALA C . 11196 1 345 . 1 1 35 35 ALA CA C 13 53.747 0.300 . 1 . . . . 35 ALA CA . 11196 1 346 . 1 1 35 35 ALA CB C 13 17.682 0.300 . 1 . . . . 35 ALA CB . 11196 1 347 . 1 1 35 35 ALA N N 15 124.176 0.300 . 1 . . . . 35 ALA N . 11196 1 348 . 1 1 36 36 GLY H H 1 9.122 0.030 . 1 . . . . 36 GLY H . 11196 1 349 . 1 1 36 36 GLY HA2 H 1 4.396 0.030 . 2 . . . . 36 GLY HA2 . 11196 1 350 . 1 1 36 36 GLY HA3 H 1 3.419 0.030 . 2 . . . . 36 GLY HA3 . 11196 1 351 . 1 1 36 36 GLY C C 13 174.433 0.300 . 1 . . . . 36 GLY C . 11196 1 352 . 1 1 36 36 GLY CA C 13 44.628 0.300 . 1 . . . . 36 GLY CA . 11196 1 353 . 1 1 36 36 GLY N N 15 112.572 0.300 . 1 . . . . 36 GLY N . 11196 1 354 . 1 1 37 37 ASP H H 1 8.546 0.030 . 1 . . . . 37 ASP H . 11196 1 355 . 1 1 37 37 ASP HA H 1 4.510 0.030 . 1 . . . . 37 ASP HA . 11196 1 356 . 1 1 37 37 ASP HB2 H 1 2.397 0.030 . 2 . . . . 37 ASP HB2 . 11196 1 357 . 1 1 37 37 ASP HB3 H 1 2.724 0.030 . 2 . . . . 37 ASP HB3 . 11196 1 358 . 1 1 37 37 ASP C C 13 175.056 0.300 . 1 . . . . 37 ASP C . 11196 1 359 . 1 1 37 37 ASP CA C 13 55.819 0.300 . 1 . . . . 37 ASP CA . 11196 1 360 . 1 1 37 37 ASP CB C 13 41.916 0.300 . 1 . . . . 37 ASP CB . 11196 1 361 . 1 1 37 37 ASP N N 15 122.485 0.300 . 1 . . . . 37 ASP N . 11196 1 362 . 1 1 38 38 VAL H H 1 8.102 0.030 . 1 . . . . 38 VAL H . 11196 1 363 . 1 1 38 38 VAL HA H 1 4.416 0.030 . 1 . . . . 38 VAL HA . 11196 1 364 . 1 1 38 38 VAL HB H 1 1.952 0.030 . 1 . . . . 38 VAL HB . 11196 1 365 . 1 1 38 38 VAL HG11 H 1 0.865 0.030 . 1 . . . . 38 VAL HG1 . 11196 1 366 . 1 1 38 38 VAL HG12 H 1 0.865 0.030 . 1 . . . . 38 VAL HG1 . 11196 1 367 . 1 1 38 38 VAL HG13 H 1 0.865 0.030 . 1 . . . . 38 VAL HG1 . 11196 1 368 . 1 1 38 38 VAL HG21 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11196 1 369 . 1 1 38 38 VAL HG22 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11196 1 370 . 1 1 38 38 VAL HG23 H 1 0.973 0.030 . 1 . . . . 38 VAL HG2 . 11196 1 371 . 1 1 38 38 VAL C C 13 175.258 0.300 . 1 . . . . 38 VAL C . 11196 1 372 . 1 1 38 38 VAL CA C 13 62.277 0.300 . 1 . . . . 38 VAL CA . 11196 1 373 . 1 1 38 38 VAL CB C 13 32.026 0.300 . 1 . . . . 38 VAL CB . 11196 1 374 . 1 1 38 38 VAL CG1 C 13 21.875 0.300 . 2 . . . . 38 VAL CG1 . 11196 1 375 . 1 1 38 38 VAL CG2 C 13 21.105 0.300 . 2 . . . . 38 VAL CG2 . 11196 1 376 . 1 1 38 38 VAL N N 15 121.588 0.300 . 1 . . . . 38 VAL N . 11196 1 377 . 1 1 39 39 VAL H H 1 9.025 0.030 . 1 . . . . 39 VAL H . 11196 1 378 . 1 1 39 39 VAL HA H 1 4.319 0.030 . 1 . . . . 39 VAL HA . 11196 1 379 . 1 1 39 39 VAL HB H 1 1.663 0.030 . 1 . . . . 39 VAL HB . 11196 1 380 . 1 1 39 39 VAL HG11 H 1 0.750 0.030 . 1 . . . . 39 VAL HG1 . 11196 1 381 . 1 1 39 39 VAL HG12 H 1 0.750 0.030 . 1 . . . . 39 VAL HG1 . 11196 1 382 . 1 1 39 39 VAL HG13 H 1 0.750 0.030 . 1 . . . . 39 VAL HG1 . 11196 1 383 . 1 1 39 39 VAL HG21 H 1 0.662 0.030 . 1 . . . . 39 VAL HG2 . 11196 1 384 . 1 1 39 39 VAL HG22 H 1 0.662 0.030 . 1 . . . . 39 VAL HG2 . 11196 1 385 . 1 1 39 39 VAL HG23 H 1 0.662 0.030 . 1 . . . . 39 VAL HG2 . 11196 1 386 . 1 1 39 39 VAL C C 13 173.960 0.300 . 1 . . . . 39 VAL C . 11196 1 387 . 1 1 39 39 VAL CA C 13 60.254 0.300 . 1 . . . . 39 VAL CA . 11196 1 388 . 1 1 39 39 VAL CB C 13 35.068 0.300 . 1 . . . . 39 VAL CB . 11196 1 389 . 1 1 39 39 VAL CG1 C 13 21.992 0.300 . 2 . . . . 39 VAL CG1 . 11196 1 390 . 1 1 39 39 VAL CG2 C 13 21.507 0.300 . 2 . . . . 39 VAL CG2 . 11196 1 391 . 1 1 39 39 VAL N N 15 127.862 0.300 . 1 . . . . 39 VAL N . 11196 1 392 . 1 1 40 40 MET H H 1 8.030 0.030 . 1 . . . . 40 MET H . 11196 1 393 . 1 1 40 40 MET HA H 1 4.935 0.030 . 1 . . . . 40 MET HA . 11196 1 394 . 1 1 40 40 MET HB2 H 1 1.823 0.030 . 2 . . . . 40 MET HB2 . 11196 1 395 . 1 1 40 40 MET HB3 H 1 1.915 0.030 . 2 . . . . 40 MET HB3 . 11196 1 396 . 1 1 40 40 MET HE1 H 1 1.903 0.030 . 1 . . . . 40 MET HE . 11196 1 397 . 1 1 40 40 MET HE2 H 1 1.903 0.030 . 1 . . . . 40 MET HE . 11196 1 398 . 1 1 40 40 MET HE3 H 1 1.903 0.030 . 1 . . . . 40 MET HE . 11196 1 399 . 1 1 40 40 MET HG2 H 1 2.052 0.030 . 2 . . . . 40 MET HG2 . 11196 1 400 . 1 1 40 40 MET HG3 H 1 2.352 0.030 . 2 . . . . 40 MET HG3 . 11196 1 401 . 1 1 40 40 MET C C 13 175.074 0.300 . 1 . . . . 40 MET C . 11196 1 402 . 1 1 40 40 MET CA C 13 53.469 0.300 . 1 . . . . 40 MET CA . 11196 1 403 . 1 1 40 40 MET CB C 13 33.073 0.300 . 1 . . . . 40 MET CB . 11196 1 404 . 1 1 40 40 MET CE C 13 16.693 0.300 . 1 . . . . 40 MET CE . 11196 1 405 . 1 1 40 40 MET CG C 13 31.925 0.300 . 1 . . . . 40 MET CG . 11196 1 406 . 1 1 40 40 MET N N 15 125.026 0.300 . 1 . . . . 40 MET N . 11196 1 407 . 1 1 41 41 VAL H H 1 8.783 0.030 . 1 . . . . 41 VAL H . 11196 1 408 . 1 1 41 41 VAL HA H 1 4.809 0.030 . 1 . . . . 41 VAL HA . 11196 1 409 . 1 1 41 41 VAL HB H 1 1.629 0.030 . 1 . . . . 41 VAL HB . 11196 1 410 . 1 1 41 41 VAL HG11 H 1 0.349 0.030 . 1 . . . . 41 VAL HG1 . 11196 1 411 . 1 1 41 41 VAL HG12 H 1 0.349 0.030 . 1 . . . . 41 VAL HG1 . 11196 1 412 . 1 1 41 41 VAL HG13 H 1 0.349 0.030 . 1 . . . . 41 VAL HG1 . 11196 1 413 . 1 1 41 41 VAL HG21 H 1 0.350 0.030 . 1 . . . . 41 VAL HG2 . 11196 1 414 . 1 1 41 41 VAL HG22 H 1 0.350 0.030 . 1 . . . . 41 VAL HG2 . 11196 1 415 . 1 1 41 41 VAL HG23 H 1 0.350 0.030 . 1 . . . . 41 VAL HG2 . 11196 1 416 . 1 1 41 41 VAL C C 13 175.679 0.300 . 1 . . . . 41 VAL C . 11196 1 417 . 1 1 41 41 VAL CA C 13 60.262 0.300 . 1 . . . . 41 VAL CA . 11196 1 418 . 1 1 41 41 VAL CB C 13 33.766 0.300 . 1 . . . . 41 VAL CB . 11196 1 419 . 1 1 41 41 VAL CG1 C 13 21.311 0.300 . 2 . . . . 41 VAL CG1 . 11196 1 420 . 1 1 41 41 VAL CG2 C 13 20.001 0.300 . 2 . . . . 41 VAL CG2 . 11196 1 421 . 1 1 41 41 VAL N N 15 120.984 0.300 . 1 . . . . 41 VAL N . 11196 1 422 . 1 1 42 42 TYR H H 1 8.637 0.030 . 1 . . . . 42 TYR H . 11196 1 423 . 1 1 42 42 TYR HA H 1 4.887 0.030 . 1 . . . . 42 TYR HA . 11196 1 424 . 1 1 42 42 TYR HB2 H 1 2.879 0.030 . 2 . . . . 42 TYR HB2 . 11196 1 425 . 1 1 42 42 TYR HB3 H 1 3.095 0.030 . 2 . . . . 42 TYR HB3 . 11196 1 426 . 1 1 42 42 TYR HD1 H 1 6.979 0.030 . 1 . . . . 42 TYR HD1 . 11196 1 427 . 1 1 42 42 TYR HD2 H 1 6.979 0.030 . 1 . . . . 42 TYR HD2 . 11196 1 428 . 1 1 42 42 TYR HE1 H 1 6.599 0.030 . 1 . . . . 42 TYR HE1 . 11196 1 429 . 1 1 42 42 TYR HE2 H 1 6.599 0.030 . 1 . . . . 42 TYR HE2 . 11196 1 430 . 1 1 42 42 TYR C C 13 176.425 0.300 . 1 . . . . 42 TYR C . 11196 1 431 . 1 1 42 42 TYR CA C 13 57.158 0.300 . 1 . . . . 42 TYR CA . 11196 1 432 . 1 1 42 42 TYR CB C 13 40.364 0.300 . 1 . . . . 42 TYR CB . 11196 1 433 . 1 1 42 42 TYR CD1 C 13 132.950 0.300 . 1 . . . . 42 TYR CD1 . 11196 1 434 . 1 1 42 42 TYR CD2 C 13 132.950 0.300 . 1 . . . . 42 TYR CD2 . 11196 1 435 . 1 1 42 42 TYR CE1 C 13 117.619 0.300 . 1 . . . . 42 TYR CE1 . 11196 1 436 . 1 1 42 42 TYR CE2 C 13 117.619 0.300 . 1 . . . . 42 TYR CE2 . 11196 1 437 . 1 1 42 42 TYR N N 15 122.783 0.300 . 1 . . . . 42 TYR N . 11196 1 438 . 1 1 43 43 GLY H H 1 8.491 0.030 . 1 . . . . 43 GLY H . 11196 1 439 . 1 1 43 43 GLY HA2 H 1 4.065 0.030 . 2 . . . . 43 GLY HA2 . 11196 1 440 . 1 1 43 43 GLY HA3 H 1 4.405 0.030 . 2 . . . . 43 GLY HA3 . 11196 1 441 . 1 1 43 43 GLY C C 13 170.938 0.300 . 1 . . . . 43 GLY C . 11196 1 442 . 1 1 43 43 GLY CA C 13 44.856 0.300 . 1 . . . . 43 GLY CA . 11196 1 443 . 1 1 43 43 GLY N N 15 112.005 0.300 . 1 . . . . 43 GLY N . 11196 1 444 . 1 1 44 44 PRO HA H 1 4.839 0.030 . 1 . . . . 44 PRO HA . 11196 1 445 . 1 1 44 44 PRO HB2 H 1 2.073 0.030 . 2 . . . . 44 PRO HB2 . 11196 1 446 . 1 1 44 44 PRO HB3 H 1 2.329 0.030 . 2 . . . . 44 PRO HB3 . 11196 1 447 . 1 1 44 44 PRO HD2 H 1 3.600 0.030 . 2 . . . . 44 PRO HD2 . 11196 1 448 . 1 1 44 44 PRO HD3 H 1 3.688 0.030 . 2 . . . . 44 PRO HD3 . 11196 1 449 . 1 1 44 44 PRO HG2 H 1 1.953 0.030 . 2 . . . . 44 PRO HG2 . 11196 1 450 . 1 1 44 44 PRO HG3 H 1 2.074 0.030 . 2 . . . . 44 PRO HG3 . 11196 1 451 . 1 1 44 44 PRO C C 13 177.472 0.300 . 1 . . . . 44 PRO C . 11196 1 452 . 1 1 44 44 PRO CA C 13 62.036 0.300 . 1 . . . . 44 PRO CA . 11196 1 453 . 1 1 44 44 PRO CB C 13 32.759 0.300 . 1 . . . . 44 PRO CB . 11196 1 454 . 1 1 44 44 PRO CD C 13 49.292 0.300 . 1 . . . . 44 PRO CD . 11196 1 455 . 1 1 44 44 PRO CG C 13 26.620 0.300 . 1 . . . . 44 PRO CG . 11196 1 456 . 1 1 45 45 MET H H 1 8.566 0.030 . 1 . . . . 45 MET H . 11196 1 457 . 1 1 45 45 MET HA H 1 3.944 0.030 . 1 . . . . 45 MET HA . 11196 1 458 . 1 1 45 45 MET HB2 H 1 1.370 0.030 . 2 . . . . 45 MET HB2 . 11196 1 459 . 1 1 45 45 MET HB3 H 1 1.470 0.030 . 2 . . . . 45 MET HB3 . 11196 1 460 . 1 1 45 45 MET HE1 H 1 1.946 0.030 . 1 . . . . 45 MET HE . 11196 1 461 . 1 1 45 45 MET HE2 H 1 1.946 0.030 . 1 . . . . 45 MET HE . 11196 1 462 . 1 1 45 45 MET HE3 H 1 1.946 0.030 . 1 . . . . 45 MET HE . 11196 1 463 . 1 1 45 45 MET HG2 H 1 1.792 0.030 . 2 . . . . 45 MET HG2 . 11196 1 464 . 1 1 45 45 MET HG3 H 1 2.409 0.030 . 2 . . . . 45 MET HG3 . 11196 1 465 . 1 1 45 45 MET C C 13 175.907 0.300 . 1 . . . . 45 MET C . 11196 1 466 . 1 1 45 45 MET CA C 13 56.091 0.300 . 1 . . . . 45 MET CA . 11196 1 467 . 1 1 45 45 MET CB C 13 33.272 0.300 . 1 . . . . 45 MET CB . 11196 1 468 . 1 1 45 45 MET CE C 13 16.360 0.300 . 1 . . . . 45 MET CE . 11196 1 469 . 1 1 45 45 MET CG C 13 30.057 0.300 . 1 . . . . 45 MET CG . 11196 1 470 . 1 1 45 45 MET N N 15 121.757 0.300 . 1 . . . . 45 MET N . 11196 1 471 . 1 1 46 46 ASP H H 1 9.023 0.030 . 1 . . . . 46 ASP H . 11196 1 472 . 1 1 46 46 ASP HA H 1 4.646 0.030 . 1 . . . . 46 ASP HA . 11196 1 473 . 1 1 46 46 ASP HB2 H 1 2.875 0.030 . 2 . . . . 46 ASP HB2 . 11196 1 474 . 1 1 46 46 ASP HB3 H 1 3.335 0.030 . 2 . . . . 46 ASP HB3 . 11196 1 475 . 1 1 46 46 ASP C C 13 178.014 0.300 . 1 . . . . 46 ASP C . 11196 1 476 . 1 1 46 46 ASP CA C 13 52.897 0.300 . 1 . . . . 46 ASP CA . 11196 1 477 . 1 1 46 46 ASP CB C 13 41.217 0.300 . 1 . . . . 46 ASP CB . 11196 1 478 . 1 1 46 46 ASP N N 15 125.026 0.300 . 1 . . . . 46 ASP N . 11196 1 479 . 1 1 47 47 ASP H H 1 8.392 0.030 . 1 . . . . 47 ASP H . 11196 1 480 . 1 1 47 47 ASP HA H 1 4.398 0.030 . 1 . . . . 47 ASP HA . 11196 1 481 . 1 1 47 47 ASP HB2 H 1 2.756 0.030 . 1 . . . . 47 ASP HB2 . 11196 1 482 . 1 1 47 47 ASP HB3 H 1 2.756 0.030 . 1 . . . . 47 ASP HB3 . 11196 1 483 . 1 1 47 47 ASP C C 13 177.075 0.300 . 1 . . . . 47 ASP C . 11196 1 484 . 1 1 47 47 ASP CA C 13 56.013 0.300 . 1 . . . . 47 ASP CA . 11196 1 485 . 1 1 47 47 ASP CB C 13 40.190 0.300 . 1 . . . . 47 ASP CB . 11196 1 486 . 1 1 47 47 ASP N N 15 115.937 0.300 . 1 . . . . 47 ASP N . 11196 1 487 . 1 1 48 48 GLN H H 1 8.459 0.030 . 1 . . . . 48 GLN H . 11196 1 488 . 1 1 48 48 GLN HA H 1 4.478 0.030 . 1 . . . . 48 GLN HA . 11196 1 489 . 1 1 48 48 GLN HB2 H 1 2.339 0.030 . 2 . . . . 48 GLN HB2 . 11196 1 490 . 1 1 48 48 GLN HB3 H 1 2.527 0.030 . 2 . . . . 48 GLN HB3 . 11196 1 491 . 1 1 48 48 GLN HE21 H 1 6.821 0.030 . 2 . . . . 48 GLN HE21 . 11196 1 492 . 1 1 48 48 GLN HE22 H 1 7.644 0.030 . 2 . . . . 48 GLN HE22 . 11196 1 493 . 1 1 48 48 GLN HG2 H 1 2.407 0.030 . 1 . . . . 48 GLN HG2 . 11196 1 494 . 1 1 48 48 GLN HG3 H 1 2.407 0.030 . 1 . . . . 48 GLN HG3 . 11196 1 495 . 1 1 48 48 GLN C C 13 175.671 0.300 . 1 . . . . 48 GLN C . 11196 1 496 . 1 1 48 48 GLN CA C 13 55.407 0.300 . 1 . . . . 48 GLN CA . 11196 1 497 . 1 1 48 48 GLN CB C 13 29.689 0.300 . 1 . . . . 48 GLN CB . 11196 1 498 . 1 1 48 48 GLN CG C 13 34.845 0.300 . 1 . . . . 48 GLN CG . 11196 1 499 . 1 1 48 48 GLN N N 15 118.087 0.300 . 1 . . . . 48 GLN N . 11196 1 500 . 1 1 48 48 GLN NE2 N 15 112.993 0.300 . 1 . . . . 48 GLN NE2 . 11196 1 501 . 1 1 49 49 GLY H H 1 8.029 0.030 . 1 . . . . 49 GLY H . 11196 1 502 . 1 1 49 49 GLY HA2 H 1 3.766 0.030 . 2 . . . . 49 GLY HA2 . 11196 1 503 . 1 1 49 49 GLY HA3 H 1 4.038 0.030 . 2 . . . . 49 GLY HA3 . 11196 1 504 . 1 1 49 49 GLY C C 13 174.048 0.300 . 1 . . . . 49 GLY C . 11196 1 505 . 1 1 49 49 GLY CA C 13 45.688 0.300 . 1 . . . . 49 GLY CA . 11196 1 506 . 1 1 49 49 GLY N N 15 107.217 0.300 . 1 . . . . 49 GLY N . 11196 1 507 . 1 1 50 50 PHE H H 1 8.983 0.030 . 1 . . . . 50 PHE H . 11196 1 508 . 1 1 50 50 PHE HA H 1 4.971 0.030 . 1 . . . . 50 PHE HA . 11196 1 509 . 1 1 50 50 PHE HB2 H 1 3.514 0.030 . 2 . . . . 50 PHE HB2 . 11196 1 510 . 1 1 50 50 PHE HB3 H 1 2.740 0.030 . 2 . . . . 50 PHE HB3 . 11196 1 511 . 1 1 50 50 PHE HD1 H 1 6.997 0.030 . 1 . . . . 50 PHE HD1 . 11196 1 512 . 1 1 50 50 PHE HD2 H 1 6.997 0.030 . 1 . . . . 50 PHE HD2 . 11196 1 513 . 1 1 50 50 PHE HE1 H 1 7.253 0.030 . 1 . . . . 50 PHE HE1 . 11196 1 514 . 1 1 50 50 PHE HE2 H 1 7.253 0.030 . 1 . . . . 50 PHE HE2 . 11196 1 515 . 1 1 50 50 PHE HZ H 1 7.316 0.030 . 1 . . . . 50 PHE HZ . 11196 1 516 . 1 1 50 50 PHE C C 13 176.390 0.300 . 1 . . . . 50 PHE C . 11196 1 517 . 1 1 50 50 PHE CA C 13 57.387 0.300 . 1 . . . . 50 PHE CA . 11196 1 518 . 1 1 50 50 PHE CB C 13 41.240 0.300 . 1 . . . . 50 PHE CB . 11196 1 519 . 1 1 50 50 PHE CD1 C 13 131.901 0.300 . 1 . . . . 50 PHE CD1 . 11196 1 520 . 1 1 50 50 PHE CD2 C 13 131.901 0.300 . 1 . . . . 50 PHE CD2 . 11196 1 521 . 1 1 50 50 PHE CE1 C 13 130.618 0.300 . 1 . . . . 50 PHE CE1 . 11196 1 522 . 1 1 50 50 PHE CE2 C 13 130.618 0.300 . 1 . . . . 50 PHE CE2 . 11196 1 523 . 1 1 50 50 PHE CZ C 13 129.488 0.300 . 1 . . . . 50 PHE CZ . 11196 1 524 . 1 1 50 50 PHE N N 15 120.640 0.300 . 1 . . . . 50 PHE N . 11196 1 525 . 1 1 51 51 TYR H H 1 9.179 0.030 . 1 . . . . 51 TYR H . 11196 1 526 . 1 1 51 51 TYR HA H 1 4.971 0.030 . 1 . . . . 51 TYR HA . 11196 1 527 . 1 1 51 51 TYR HB2 H 1 2.401 0.030 . 2 . . . . 51 TYR HB2 . 11196 1 528 . 1 1 51 51 TYR HB3 H 1 3.012 0.030 . 2 . . . . 51 TYR HB3 . 11196 1 529 . 1 1 51 51 TYR HD1 H 1 6.955 0.030 . 1 . . . . 51 TYR HD1 . 11196 1 530 . 1 1 51 51 TYR HD2 H 1 6.955 0.030 . 1 . . . . 51 TYR HD2 . 11196 1 531 . 1 1 51 51 TYR HE1 H 1 6.790 0.030 . 1 . . . . 51 TYR HE1 . 11196 1 532 . 1 1 51 51 TYR HE2 H 1 6.790 0.030 . 1 . . . . 51 TYR HE2 . 11196 1 533 . 1 1 51 51 TYR C C 13 175.528 0.300 . 1 . . . . 51 TYR C . 11196 1 534 . 1 1 51 51 TYR CA C 13 56.799 0.300 . 1 . . . . 51 TYR CA . 11196 1 535 . 1 1 51 51 TYR CB C 13 42.206 0.300 . 1 . . . . 51 TYR CB . 11196 1 536 . 1 1 51 51 TYR CD1 C 13 132.726 0.300 . 1 . . . . 51 TYR CD1 . 11196 1 537 . 1 1 51 51 TYR CD2 C 13 132.726 0.300 . 1 . . . . 51 TYR CD2 . 11196 1 538 . 1 1 51 51 TYR CE1 C 13 118.127 0.300 . 1 . . . . 51 TYR CE1 . 11196 1 539 . 1 1 51 51 TYR CE2 C 13 118.127 0.300 . 1 . . . . 51 TYR CE2 . 11196 1 540 . 1 1 51 51 TYR N N 15 118.337 0.300 . 1 . . . . 51 TYR N . 11196 1 541 . 1 1 52 52 TYR H H 1 9.140 0.030 . 1 . . . . 52 TYR H . 11196 1 542 . 1 1 52 52 TYR HA H 1 4.916 0.030 . 1 . . . . 52 TYR HA . 11196 1 543 . 1 1 52 52 TYR HB2 H 1 3.011 0.030 . 2 . . . . 52 TYR HB2 . 11196 1 544 . 1 1 52 52 TYR HB3 H 1 3.183 0.030 . 2 . . . . 52 TYR HB3 . 11196 1 545 . 1 1 52 52 TYR HD1 H 1 7.107 0.030 . 1 . . . . 52 TYR HD1 . 11196 1 546 . 1 1 52 52 TYR HD2 H 1 7.107 0.030 . 1 . . . . 52 TYR HD2 . 11196 1 547 . 1 1 52 52 TYR HE1 H 1 6.710 0.030 . 1 . . . . 52 TYR HE1 . 11196 1 548 . 1 1 52 52 TYR HE2 H 1 6.710 0.030 . 1 . . . . 52 TYR HE2 . 11196 1 549 . 1 1 52 52 TYR C C 13 174.504 0.300 . 1 . . . . 52 TYR C . 11196 1 550 . 1 1 52 52 TYR CA C 13 57.975 0.300 . 1 . . . . 52 TYR CA . 11196 1 551 . 1 1 52 52 TYR CB C 13 38.784 0.300 . 1 . . . . 52 TYR CB . 11196 1 552 . 1 1 52 52 TYR CD1 C 13 132.810 0.300 . 1 . . . . 52 TYR CD1 . 11196 1 553 . 1 1 52 52 TYR CD2 C 13 132.810 0.300 . 1 . . . . 52 TYR CD2 . 11196 1 554 . 1 1 52 52 TYR CE1 C 13 117.740 0.300 . 1 . . . . 52 TYR CE1 . 11196 1 555 . 1 1 52 52 TYR CE2 C 13 117.740 0.300 . 1 . . . . 52 TYR CE2 . 11196 1 556 . 1 1 52 52 TYR N N 15 122.650 0.300 . 1 . . . . 52 TYR N . 11196 1 557 . 1 1 53 53 GLY H H 1 8.811 0.030 . 1 . . . . 53 GLY H . 11196 1 558 . 1 1 53 53 GLY HA2 H 1 3.280 0.030 . 2 . . . . 53 GLY HA2 . 11196 1 559 . 1 1 53 53 GLY HA3 H 1 5.158 0.030 . 2 . . . . 53 GLY HA3 . 11196 1 560 . 1 1 53 53 GLY C C 13 170.950 0.300 . 1 . . . . 53 GLY C . 11196 1 561 . 1 1 53 53 GLY CA C 13 44.932 0.300 . 1 . . . . 53 GLY CA . 11196 1 562 . 1 1 53 53 GLY N N 15 113.825 0.300 . 1 . . . . 53 GLY N . 11196 1 563 . 1 1 54 54 GLU H H 1 8.783 0.030 . 1 . . . . 54 GLU H . 11196 1 564 . 1 1 54 54 GLU HA H 1 5.272 0.030 . 1 . . . . 54 GLU HA . 11196 1 565 . 1 1 54 54 GLU HB2 H 1 1.934 0.030 . 2 . . . . 54 GLU HB2 . 11196 1 566 . 1 1 54 54 GLU HB3 H 1 2.051 0.030 . 2 . . . . 54 GLU HB3 . 11196 1 567 . 1 1 54 54 GLU HG2 H 1 2.117 0.030 . 1 . . . . 54 GLU HG2 . 11196 1 568 . 1 1 54 54 GLU HG3 H 1 2.117 0.030 . 1 . . . . 54 GLU HG3 . 11196 1 569 . 1 1 54 54 GLU C C 13 174.793 0.300 . 1 . . . . 54 GLU C . 11196 1 570 . 1 1 54 54 GLU CA C 13 54.528 0.300 . 1 . . . . 54 GLU CA . 11196 1 571 . 1 1 54 54 GLU CB C 13 34.399 0.300 . 1 . . . . 54 GLU CB . 11196 1 572 . 1 1 54 54 GLU CG C 13 36.457 0.300 . 1 . . . . 54 GLU CG . 11196 1 573 . 1 1 54 54 GLU N N 15 116.958 0.300 . 1 . . . . 54 GLU N . 11196 1 574 . 1 1 55 55 LEU H H 1 8.756 0.030 . 1 . . . . 55 LEU H . 11196 1 575 . 1 1 55 55 LEU HA H 1 4.745 0.030 . 1 . . . . 55 LEU HA . 11196 1 576 . 1 1 55 55 LEU HB2 H 1 1.449 0.030 . 2 . . . . 55 LEU HB2 . 11196 1 577 . 1 1 55 55 LEU HB3 H 1 1.839 0.030 . 2 . . . . 55 LEU HB3 . 11196 1 578 . 1 1 55 55 LEU HD11 H 1 0.968 0.030 . 1 . . . . 55 LEU HD1 . 11196 1 579 . 1 1 55 55 LEU HD12 H 1 0.968 0.030 . 1 . . . . 55 LEU HD1 . 11196 1 580 . 1 1 55 55 LEU HD13 H 1 0.968 0.030 . 1 . . . . 55 LEU HD1 . 11196 1 581 . 1 1 55 55 LEU HD21 H 1 0.946 0.030 . 1 . . . . 55 LEU HD2 . 11196 1 582 . 1 1 55 55 LEU HD22 H 1 0.946 0.030 . 1 . . . . 55 LEU HD2 . 11196 1 583 . 1 1 55 55 LEU HD23 H 1 0.946 0.030 . 1 . . . . 55 LEU HD2 . 11196 1 584 . 1 1 55 55 LEU HG H 1 1.575 0.030 . 1 . . . . 55 LEU HG . 11196 1 585 . 1 1 55 55 LEU C C 13 177.169 0.300 . 1 . . . . 55 LEU C . 11196 1 586 . 1 1 55 55 LEU CA C 13 54.911 0.300 . 1 . . . . 55 LEU CA . 11196 1 587 . 1 1 55 55 LEU CB C 13 45.805 0.300 . 1 . . . . 55 LEU CB . 11196 1 588 . 1 1 55 55 LEU CD1 C 13 24.883 0.300 . 2 . . . . 55 LEU CD1 . 11196 1 589 . 1 1 55 55 LEU CD2 C 13 26.292 0.300 . 2 . . . . 55 LEU CD2 . 11196 1 590 . 1 1 55 55 LEU CG C 13 27.706 0.300 . 1 . . . . 55 LEU CG . 11196 1 591 . 1 1 55 55 LEU N N 15 127.387 0.300 . 1 . . . . 55 LEU N . 11196 1 592 . 1 1 56 56 GLY H H 1 9.415 0.030 . 1 . . . . 56 GLY H . 11196 1 593 . 1 1 56 56 GLY HA2 H 1 3.917 0.030 . 1 . . . . 56 GLY HA2 . 11196 1 594 . 1 1 56 56 GLY HA3 H 1 3.917 0.030 . 1 . . . . 56 GLY HA3 . 11196 1 595 . 1 1 56 56 GLY C C 13 175.226 0.300 . 1 . . . . 56 GLY C . 11196 1 596 . 1 1 56 56 GLY CA C 13 47.351 0.300 . 1 . . . . 56 GLY CA . 11196 1 597 . 1 1 56 56 GLY N N 15 117.930 0.300 . 1 . . . . 56 GLY N . 11196 1 598 . 1 1 57 57 GLY H H 1 8.806 0.030 . 1 . . . . 57 GLY H . 11196 1 599 . 1 1 57 57 GLY HA2 H 1 3.708 0.030 . 2 . . . . 57 GLY HA2 . 11196 1 600 . 1 1 57 57 GLY HA3 H 1 3.974 0.030 . 2 . . . . 57 GLY HA3 . 11196 1 601 . 1 1 57 57 GLY C C 13 173.565 0.300 . 1 . . . . 57 GLY C . 11196 1 602 . 1 1 57 57 GLY CA C 13 44.896 0.300 . 1 . . . . 57 GLY CA . 11196 1 603 . 1 1 57 57 GLY N N 15 107.544 0.300 . 1 . . . . 57 GLY N . 11196 1 604 . 1 1 58 58 HIS H H 1 7.967 0.030 . 1 . . . . 58 HIS H . 11196 1 605 . 1 1 58 58 HIS HA H 1 4.890 0.030 . 1 . . . . 58 HIS HA . 11196 1 606 . 1 1 58 58 HIS HB2 H 1 3.146 0.030 . 1 . . . . 58 HIS HB2 . 11196 1 607 . 1 1 58 58 HIS HB3 H 1 3.146 0.030 . 1 . . . . 58 HIS HB3 . 11196 1 608 . 1 1 58 58 HIS HD2 H 1 7.164 0.030 . 1 . . . . 58 HIS HD2 . 11196 1 609 . 1 1 58 58 HIS C C 13 173.697 0.300 . 1 . . . . 58 HIS C . 11196 1 610 . 1 1 58 58 HIS CA C 13 54.915 0.300 . 1 . . . . 58 HIS CA . 11196 1 611 . 1 1 58 58 HIS CB C 13 32.094 0.300 . 1 . . . . 58 HIS CB . 11196 1 612 . 1 1 58 58 HIS CD2 C 13 120.300 0.300 . 1 . . . . 58 HIS CD2 . 11196 1 613 . 1 1 58 58 HIS N N 15 120.244 0.300 . 1 . . . . 58 HIS N . 11196 1 614 . 1 1 59 59 ARG H H 1 8.555 0.030 . 1 . . . . 59 ARG H . 11196 1 615 . 1 1 59 59 ARG HA H 1 5.531 0.030 . 1 . . . . 59 ARG HA . 11196 1 616 . 1 1 59 59 ARG HB2 H 1 1.768 0.030 . 1 . . . . 59 ARG HB2 . 11196 1 617 . 1 1 59 59 ARG HB3 H 1 1.768 0.030 . 1 . . . . 59 ARG HB3 . 11196 1 618 . 1 1 59 59 ARG HD2 H 1 3.141 0.030 . 1 . . . . 59 ARG HD2 . 11196 1 619 . 1 1 59 59 ARG HD3 H 1 3.141 0.030 . 1 . . . . 59 ARG HD3 . 11196 1 620 . 1 1 59 59 ARG HE H 1 6.598 0.030 . 1 . . . . 59 ARG HE . 11196 1 621 . 1 1 59 59 ARG HG2 H 1 1.510 0.030 . 2 . . . . 59 ARG HG2 . 11196 1 622 . 1 1 59 59 ARG HG3 H 1 1.647 0.030 . 2 . . . . 59 ARG HG3 . 11196 1 623 . 1 1 59 59 ARG C C 13 176.356 0.300 . 1 . . . . 59 ARG C . 11196 1 624 . 1 1 59 59 ARG CA C 13 54.251 0.300 . 1 . . . . 59 ARG CA . 11196 1 625 . 1 1 59 59 ARG CB C 13 33.052 0.300 . 1 . . . . 59 ARG CB . 11196 1 626 . 1 1 59 59 ARG CD C 13 43.481 0.300 . 1 . . . . 59 ARG CD . 11196 1 627 . 1 1 59 59 ARG CG C 13 27.761 0.300 . 1 . . . . 59 ARG CG . 11196 1 628 . 1 1 59 59 ARG N N 15 120.291 0.300 . 1 . . . . 59 ARG N . 11196 1 629 . 1 1 60 60 GLY H H 1 8.589 0.030 . 1 . . . . 60 GLY H . 11196 1 630 . 1 1 60 60 GLY HA2 H 1 3.951 0.030 . 2 . . . . 60 GLY HA2 . 11196 1 631 . 1 1 60 60 GLY HA3 H 1 4.110 0.030 . 2 . . . . 60 GLY HA3 . 11196 1 632 . 1 1 60 60 GLY C C 13 170.431 0.300 . 1 . . . . 60 GLY C . 11196 1 633 . 1 1 60 60 GLY CA C 13 45.289 0.300 . 1 . . . . 60 GLY CA . 11196 1 634 . 1 1 60 60 GLY N N 15 108.864 0.300 . 1 . . . . 60 GLY N . 11196 1 635 . 1 1 61 61 LEU H H 1 8.589 0.030 . 1 . . . . 61 LEU H . 11196 1 636 . 1 1 61 61 LEU HA H 1 5.458 0.030 . 1 . . . . 61 LEU HA . 11196 1 637 . 1 1 61 61 LEU HB2 H 1 1.462 0.030 . 2 . . . . 61 LEU HB2 . 11196 1 638 . 1 1 61 61 LEU HB3 H 1 1.223 0.030 . 2 . . . . 61 LEU HB3 . 11196 1 639 . 1 1 61 61 LEU HD11 H 1 0.601 0.030 . 1 . . . . 61 LEU HD1 . 11196 1 640 . 1 1 61 61 LEU HD12 H 1 0.601 0.030 . 1 . . . . 61 LEU HD1 . 11196 1 641 . 1 1 61 61 LEU HD13 H 1 0.601 0.030 . 1 . . . . 61 LEU HD1 . 11196 1 642 . 1 1 61 61 LEU HD21 H 1 0.805 0.030 . 1 . . . . 61 LEU HD2 . 11196 1 643 . 1 1 61 61 LEU HD22 H 1 0.805 0.030 . 1 . . . . 61 LEU HD2 . 11196 1 644 . 1 1 61 61 LEU HD23 H 1 0.805 0.030 . 1 . . . . 61 LEU HD2 . 11196 1 645 . 1 1 61 61 LEU HG H 1 1.684 0.030 . 1 . . . . 61 LEU HG . 11196 1 646 . 1 1 61 61 LEU C C 13 178.208 0.300 . 1 . . . . 61 LEU C . 11196 1 647 . 1 1 61 61 LEU CA C 13 54.472 0.300 . 1 . . . . 61 LEU CA . 11196 1 648 . 1 1 61 61 LEU CB C 13 43.586 0.300 . 1 . . . . 61 LEU CB . 11196 1 649 . 1 1 61 61 LEU CD1 C 13 25.279 0.300 . 2 . . . . 61 LEU CD1 . 11196 1 650 . 1 1 61 61 LEU CD2 C 13 22.583 0.300 . 2 . . . . 61 LEU CD2 . 11196 1 651 . 1 1 61 61 LEU CG C 13 27.203 0.300 . 1 . . . . 61 LEU CG . 11196 1 652 . 1 1 61 61 LEU N N 15 119.424 0.300 . 1 . . . . 61 LEU N . 11196 1 653 . 1 1 62 62 VAL H H 1 9.604 0.030 . 1 . . . . 62 VAL H . 11196 1 654 . 1 1 62 62 VAL HA H 1 5.013 0.030 . 1 . . . . 62 VAL HA . 11196 1 655 . 1 1 62 62 VAL HB H 1 1.933 0.030 . 1 . . . . 62 VAL HB . 11196 1 656 . 1 1 62 62 VAL HG11 H 1 0.947 0.030 . 1 . . . . 62 VAL HG1 . 11196 1 657 . 1 1 62 62 VAL HG12 H 1 0.947 0.030 . 1 . . . . 62 VAL HG1 . 11196 1 658 . 1 1 62 62 VAL HG13 H 1 0.947 0.030 . 1 . . . . 62 VAL HG1 . 11196 1 659 . 1 1 62 62 VAL HG21 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11196 1 660 . 1 1 62 62 VAL HG22 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11196 1 661 . 1 1 62 62 VAL HG23 H 1 0.914 0.030 . 1 . . . . 62 VAL HG2 . 11196 1 662 . 1 1 62 62 VAL C C 13 173.009 0.300 . 1 . . . . 62 VAL C . 11196 1 663 . 1 1 62 62 VAL CA C 13 57.484 0.300 . 1 . . . . 62 VAL CA . 11196 1 664 . 1 1 62 62 VAL CB C 13 35.582 0.300 . 1 . . . . 62 VAL CB . 11196 1 665 . 1 1 62 62 VAL CG1 C 13 22.544 0.300 . 2 . . . . 62 VAL CG1 . 11196 1 666 . 1 1 62 62 VAL CG2 C 13 21.011 0.300 . 2 . . . . 62 VAL CG2 . 11196 1 667 . 1 1 62 62 VAL N N 15 117.650 0.300 . 1 . . . . 62 VAL N . 11196 1 668 . 1 1 63 63 PRO HA H 1 3.805 0.030 . 1 . . . . 63 PRO HA . 11196 1 669 . 1 1 63 63 PRO HB2 H 1 1.268 0.030 . 2 . . . . 63 PRO HB2 . 11196 1 670 . 1 1 63 63 PRO HB3 H 1 1.678 0.030 . 2 . . . . 63 PRO HB3 . 11196 1 671 . 1 1 63 63 PRO HD2 H 1 3.594 0.030 . 2 . . . . 63 PRO HD2 . 11196 1 672 . 1 1 63 63 PRO HD3 H 1 3.027 0.030 . 2 . . . . 63 PRO HD3 . 11196 1 673 . 1 1 63 63 PRO HG2 H 1 1.400 0.030 . 2 . . . . 63 PRO HG2 . 11196 1 674 . 1 1 63 63 PRO HG3 H 1 1.271 0.030 . 2 . . . . 63 PRO HG3 . 11196 1 675 . 1 1 63 63 PRO C C 13 177.086 0.300 . 1 . . . . 63 PRO C . 11196 1 676 . 1 1 63 63 PRO CA C 13 62.772 0.300 . 1 . . . . 63 PRO CA . 11196 1 677 . 1 1 63 63 PRO CB C 13 31.457 0.300 . 1 . . . . 63 PRO CB . 11196 1 678 . 1 1 63 63 PRO CD C 13 51.164 0.300 . 1 . . . . 63 PRO CD . 11196 1 679 . 1 1 63 63 PRO CG C 13 27.141 0.300 . 1 . . . . 63 PRO CG . 11196 1 680 . 1 1 64 64 ALA H H 1 8.471 0.030 . 1 . . . . 64 ALA H . 11196 1 681 . 1 1 64 64 ALA HA H 1 3.883 0.030 . 1 . . . . 64 ALA HA . 11196 1 682 . 1 1 64 64 ALA HB1 H 1 1.086 0.030 . 1 . . . . 64 ALA HB . 11196 1 683 . 1 1 64 64 ALA HB2 H 1 1.086 0.030 . 1 . . . . 64 ALA HB . 11196 1 684 . 1 1 64 64 ALA HB3 H 1 1.086 0.030 . 1 . . . . 64 ALA HB . 11196 1 685 . 1 1 64 64 ALA C C 13 179.778 0.300 . 1 . . . . 64 ALA C . 11196 1 686 . 1 1 64 64 ALA CA C 13 55.349 0.300 . 1 . . . . 64 ALA CA . 11196 1 687 . 1 1 64 64 ALA CB C 13 20.073 0.300 . 1 . . . . 64 ALA CB . 11196 1 688 . 1 1 64 64 ALA N N 15 125.385 0.300 . 1 . . . . 64 ALA N . 11196 1 689 . 1 1 65 65 HIS H H 1 8.029 0.030 . 1 . . . . 65 HIS H . 11196 1 690 . 1 1 65 65 HIS HA H 1 4.436 0.030 . 1 . . . . 65 HIS HA . 11196 1 691 . 1 1 65 65 HIS HB2 H 1 2.916 0.030 . 2 . . . . 65 HIS HB2 . 11196 1 692 . 1 1 65 65 HIS HB3 H 1 3.250 0.030 . 2 . . . . 65 HIS HB3 . 11196 1 693 . 1 1 65 65 HIS HD2 H 1 6.862 0.030 . 1 . . . . 65 HIS HD2 . 11196 1 694 . 1 1 65 65 HIS HE1 H 1 7.549 0.030 . 1 . . . . 65 HIS HE1 . 11196 1 695 . 1 1 65 65 HIS C C 13 175.460 0.300 . 1 . . . . 65 HIS C . 11196 1 696 . 1 1 65 65 HIS CA C 13 57.790 0.300 . 1 . . . . 65 HIS CA . 11196 1 697 . 1 1 65 65 HIS CB C 13 29.124 0.300 . 1 . . . . 65 HIS CB . 11196 1 698 . 1 1 65 65 HIS CD2 C 13 119.142 0.300 . 1 . . . . 65 HIS CD2 . 11196 1 699 . 1 1 65 65 HIS CE1 C 13 138.577 0.300 . 1 . . . . 65 HIS CE1 . 11196 1 700 . 1 1 65 65 HIS N N 15 111.450 0.300 . 1 . . . . 65 HIS N . 11196 1 701 . 1 1 66 66 LEU H H 1 6.622 0.030 . 1 . . . . 66 LEU H . 11196 1 702 . 1 1 66 66 LEU HA H 1 4.305 0.030 . 1 . . . . 66 LEU HA . 11196 1 703 . 1 1 66 66 LEU HB2 H 1 1.334 0.030 . 2 . . . . 66 LEU HB2 . 11196 1 704 . 1 1 66 66 LEU HB3 H 1 1.466 0.030 . 2 . . . . 66 LEU HB3 . 11196 1 705 . 1 1 66 66 LEU HD11 H 1 0.468 0.030 . 1 . . . . 66 LEU HD1 . 11196 1 706 . 1 1 66 66 LEU HD12 H 1 0.468 0.030 . 1 . . . . 66 LEU HD1 . 11196 1 707 . 1 1 66 66 LEU HD13 H 1 0.468 0.030 . 1 . . . . 66 LEU HD1 . 11196 1 708 . 1 1 66 66 LEU HD21 H 1 0.617 0.030 . 1 . . . . 66 LEU HD2 . 11196 1 709 . 1 1 66 66 LEU HD22 H 1 0.617 0.030 . 1 . . . . 66 LEU HD2 . 11196 1 710 . 1 1 66 66 LEU HD23 H 1 0.617 0.030 . 1 . . . . 66 LEU HD2 . 11196 1 711 . 1 1 66 66 LEU HG H 1 0.604 0.030 . 1 . . . . 66 LEU HG . 11196 1 712 . 1 1 66 66 LEU C C 13 174.591 0.300 . 1 . . . . 66 LEU C . 11196 1 713 . 1 1 66 66 LEU CA C 13 53.891 0.300 . 1 . . . . 66 LEU CA . 11196 1 714 . 1 1 66 66 LEU CB C 13 41.820 0.300 . 1 . . . . 66 LEU CB . 11196 1 715 . 1 1 66 66 LEU CD1 C 13 25.803 0.300 . 2 . . . . 66 LEU CD1 . 11196 1 716 . 1 1 66 66 LEU CD2 C 13 24.132 0.300 . 2 . . . . 66 LEU CD2 . 11196 1 717 . 1 1 66 66 LEU CG C 13 26.586 0.300 . 1 . . . . 66 LEU CG . 11196 1 718 . 1 1 66 66 LEU N N 15 117.890 0.300 . 1 . . . . 66 LEU N . 11196 1 719 . 1 1 67 67 LEU H H 1 7.282 0.030 . 1 . . . . 67 LEU H . 11196 1 720 . 1 1 67 67 LEU HA H 1 4.938 0.030 . 1 . . . . 67 LEU HA . 11196 1 721 . 1 1 67 67 LEU HB2 H 1 1.749 0.030 . 2 . . . . 67 LEU HB2 . 11196 1 722 . 1 1 67 67 LEU HB3 H 1 1.158 0.030 . 2 . . . . 67 LEU HB3 . 11196 1 723 . 1 1 67 67 LEU HD11 H 1 0.652 0.030 . 1 . . . . 67 LEU HD1 . 11196 1 724 . 1 1 67 67 LEU HD12 H 1 0.652 0.030 . 1 . . . . 67 LEU HD1 . 11196 1 725 . 1 1 67 67 LEU HD13 H 1 0.652 0.030 . 1 . . . . 67 LEU HD1 . 11196 1 726 . 1 1 67 67 LEU HD21 H 1 0.514 0.030 . 1 . . . . 67 LEU HD2 . 11196 1 727 . 1 1 67 67 LEU HD22 H 1 0.514 0.030 . 1 . . . . 67 LEU HD2 . 11196 1 728 . 1 1 67 67 LEU HD23 H 1 0.514 0.030 . 1 . . . . 67 LEU HD2 . 11196 1 729 . 1 1 67 67 LEU HG H 1 1.607 0.030 . 1 . . . . 67 LEU HG . 11196 1 730 . 1 1 67 67 LEU C C 13 175.591 0.300 . 1 . . . . 67 LEU C . 11196 1 731 . 1 1 67 67 LEU CA C 13 53.010 0.300 . 1 . . . . 67 LEU CA . 11196 1 732 . 1 1 67 67 LEU CB C 13 45.036 0.300 . 1 . . . . 67 LEU CB . 11196 1 733 . 1 1 67 67 LEU CD1 C 13 26.952 0.300 . 2 . . . . 67 LEU CD1 . 11196 1 734 . 1 1 67 67 LEU CD2 C 13 22.532 0.300 . 2 . . . . 67 LEU CD2 . 11196 1 735 . 1 1 67 67 LEU CG C 13 25.816 0.300 . 1 . . . . 67 LEU CG . 11196 1 736 . 1 1 67 67 LEU N N 15 117.355 0.300 . 1 . . . . 67 LEU N . 11196 1 737 . 1 1 68 68 ASP H H 1 8.978 0.030 . 1 . . . . 68 ASP H . 11196 1 738 . 1 1 68 68 ASP HA H 1 4.949 0.030 . 1 . . . . 68 ASP HA . 11196 1 739 . 1 1 68 68 ASP HB2 H 1 2.476 0.030 . 2 . . . . 68 ASP HB2 . 11196 1 740 . 1 1 68 68 ASP HB3 H 1 2.697 0.030 . 2 . . . . 68 ASP HB3 . 11196 1 741 . 1 1 68 68 ASP C C 13 176.057 0.300 . 1 . . . . 68 ASP C . 11196 1 742 . 1 1 68 68 ASP CA C 13 52.497 0.300 . 1 . . . . 68 ASP CA . 11196 1 743 . 1 1 68 68 ASP CB C 13 43.489 0.300 . 1 . . . . 68 ASP CB . 11196 1 744 . 1 1 68 68 ASP N N 15 121.011 0.300 . 1 . . . . 68 ASP N . 11196 1 745 . 1 1 69 69 HIS H H 1 8.652 0.030 . 1 . . . . 69 HIS H . 11196 1 746 . 1 1 69 69 HIS HA H 1 4.622 0.030 . 1 . . . . 69 HIS HA . 11196 1 747 . 1 1 69 69 HIS HB2 H 1 2.989 0.030 . 2 . . . . 69 HIS HB2 . 11196 1 748 . 1 1 69 69 HIS HB3 H 1 3.154 0.030 . 2 . . . . 69 HIS HB3 . 11196 1 749 . 1 1 69 69 HIS HD2 H 1 7.084 0.030 . 1 . . . . 69 HIS HD2 . 11196 1 750 . 1 1 69 69 HIS HE1 H 1 7.805 0.030 . 1 . . . . 69 HIS HE1 . 11196 1 751 . 1 1 69 69 HIS C C 13 176.013 0.300 . 1 . . . . 69 HIS C . 11196 1 752 . 1 1 69 69 HIS CA C 13 57.236 0.300 . 1 . . . . 69 HIS CA . 11196 1 753 . 1 1 69 69 HIS CB C 13 30.898 0.300 . 1 . . . . 69 HIS CB . 11196 1 754 . 1 1 69 69 HIS CD2 C 13 120.794 0.300 . 1 . . . . 69 HIS CD2 . 11196 1 755 . 1 1 69 69 HIS CE1 C 13 138.252 0.300 . 1 . . . . 69 HIS CE1 . 11196 1 756 . 1 1 69 69 HIS N N 15 120.948 0.300 . 1 . . . . 69 HIS N . 11196 1 757 . 1 1 70 70 MET H H 1 8.431 0.030 . 1 . . . . 70 MET H . 11196 1 758 . 1 1 70 70 MET HA H 1 4.360 0.030 . 1 . . . . 70 MET HA . 11196 1 759 . 1 1 70 70 MET HB2 H 1 1.861 0.030 . 2 . . . . 70 MET HB2 . 11196 1 760 . 1 1 70 70 MET HB3 H 1 2.015 0.030 . 2 . . . . 70 MET HB3 . 11196 1 761 . 1 1 70 70 MET HE1 H 1 2.016 0.030 . 1 . . . . 70 MET HE . 11196 1 762 . 1 1 70 70 MET HE2 H 1 2.016 0.030 . 1 . . . . 70 MET HE . 11196 1 763 . 1 1 70 70 MET HE3 H 1 2.016 0.030 . 1 . . . . 70 MET HE . 11196 1 764 . 1 1 70 70 MET HG2 H 1 2.423 0.030 . 2 . . . . 70 MET HG2 . 11196 1 765 . 1 1 70 70 MET HG3 H 1 2.459 0.030 . 2 . . . . 70 MET HG3 . 11196 1 766 . 1 1 70 70 MET C C 13 176.075 0.300 . 1 . . . . 70 MET C . 11196 1 767 . 1 1 70 70 MET CA C 13 56.050 0.300 . 1 . . . . 70 MET CA . 11196 1 768 . 1 1 70 70 MET CB C 13 33.096 0.300 . 1 . . . . 70 MET CB . 11196 1 769 . 1 1 70 70 MET CE C 13 17.219 0.300 . 1 . . . . 70 MET CE . 11196 1 770 . 1 1 70 70 MET CG C 13 32.105 0.300 . 1 . . . . 70 MET CG . 11196 1 771 . 1 1 70 70 MET N N 15 122.147 0.300 . 1 . . . . 70 MET N . 11196 1 772 . 1 1 71 71 SER H H 1 8.475 0.030 . 1 . . . . 71 SER H . 11196 1 773 . 1 1 71 71 SER HA H 1 4.409 0.030 . 1 . . . . 71 SER HA . 11196 1 774 . 1 1 71 71 SER HB2 H 1 3.827 0.030 . 1 . . . . 71 SER HB2 . 11196 1 775 . 1 1 71 71 SER HB3 H 1 3.827 0.030 . 1 . . . . 71 SER HB3 . 11196 1 776 . 1 1 71 71 SER C C 13 174.618 0.300 . 1 . . . . 71 SER C . 11196 1 777 . 1 1 71 71 SER CA C 13 58.375 0.300 . 1 . . . . 71 SER CA . 11196 1 778 . 1 1 71 71 SER CB C 13 63.606 0.300 . 1 . . . . 71 SER CB . 11196 1 779 . 1 1 71 71 SER N N 15 117.646 0.300 . 1 . . . . 71 SER N . 11196 1 780 . 1 1 72 72 LEU H H 1 8.248 0.030 . 1 . . . . 72 LEU H . 11196 1 781 . 1 1 72 72 LEU HA H 1 4.293 0.030 . 1 . . . . 72 LEU HA . 11196 1 782 . 1 1 72 72 LEU HB2 H 1 1.461 0.030 . 2 . . . . 72 LEU HB2 . 11196 1 783 . 1 1 72 72 LEU HB3 H 1 1.523 0.030 . 2 . . . . 72 LEU HB3 . 11196 1 784 . 1 1 72 72 LEU HD11 H 1 0.871 0.030 . 1 . . . . 72 LEU HD1 . 11196 1 785 . 1 1 72 72 LEU HD12 H 1 0.871 0.030 . 1 . . . . 72 LEU HD1 . 11196 1 786 . 1 1 72 72 LEU HD13 H 1 0.871 0.030 . 1 . . . . 72 LEU HD1 . 11196 1 787 . 1 1 72 72 LEU HD21 H 1 0.800 0.030 . 1 . . . . 72 LEU HD2 . 11196 1 788 . 1 1 72 72 LEU HD22 H 1 0.800 0.030 . 1 . . . . 72 LEU HD2 . 11196 1 789 . 1 1 72 72 LEU HD23 H 1 0.800 0.030 . 1 . . . . 72 LEU HD2 . 11196 1 790 . 1 1 72 72 LEU HG H 1 1.503 0.030 . 1 . . . . 72 LEU HG . 11196 1 791 . 1 1 72 72 LEU C C 13 177.110 0.300 . 1 . . . . 72 LEU C . 11196 1 792 . 1 1 72 72 LEU CA C 13 55.323 0.300 . 1 . . . . 72 LEU CA . 11196 1 793 . 1 1 72 72 LEU CB C 13 42.202 0.300 . 1 . . . . 72 LEU CB . 11196 1 794 . 1 1 72 72 LEU CD1 C 13 24.845 0.300 . 2 . . . . 72 LEU CD1 . 11196 1 795 . 1 1 72 72 LEU CD2 C 13 23.405 0.300 . 2 . . . . 72 LEU CD2 . 11196 1 796 . 1 1 72 72 LEU CG C 13 26.959 0.300 . 1 . . . . 72 LEU CG . 11196 1 797 . 1 1 72 72 LEU N N 15 123.968 0.300 . 1 . . . . 72 LEU N . 11196 1 798 . 1 1 73 73 HIS H H 1 8.147 0.030 . 1 . . . . 73 HIS H . 11196 1 799 . 1 1 73 73 HIS HA H 1 4.603 0.030 . 1 . . . . 73 HIS HA . 11196 1 800 . 1 1 73 73 HIS HB2 H 1 2.999 0.030 . 2 . . . . 73 HIS HB2 . 11196 1 801 . 1 1 73 73 HIS HB3 H 1 3.162 0.030 . 2 . . . . 73 HIS HB3 . 11196 1 802 . 1 1 73 73 HIS HD2 H 1 7.005 0.030 . 1 . . . . 73 HIS HD2 . 11196 1 803 . 1 1 73 73 HIS C C 13 175.747 0.300 . 1 . . . . 73 HIS C . 11196 1 804 . 1 1 73 73 HIS CA C 13 56.175 0.300 . 1 . . . . 73 HIS CA . 11196 1 805 . 1 1 73 73 HIS CB C 13 30.783 0.300 . 1 . . . . 73 HIS CB . 11196 1 806 . 1 1 73 73 HIS CD2 C 13 119.816 0.300 . 1 . . . . 73 HIS CD2 . 11196 1 807 . 1 1 73 73 HIS N N 15 119.082 0.300 . 1 . . . . 73 HIS N . 11196 1 808 . 1 1 74 74 GLY H H 1 8.651 0.030 . 1 . . . . 74 GLY H . 11196 1 809 . 1 1 74 74 GLY HA2 H 1 3.840 0.030 . 2 . . . . 74 GLY HA2 . 11196 1 810 . 1 1 74 74 GLY HA3 H 1 3.888 0.030 . 2 . . . . 74 GLY HA3 . 11196 1 811 . 1 1 74 74 GLY C C 13 173.190 0.300 . 1 . . . . 74 GLY C . 11196 1 812 . 1 1 74 74 GLY CA C 13 45.326 0.300 . 1 . . . . 74 GLY CA . 11196 1 813 . 1 1 75 75 HIS H H 1 7.860 0.030 . 1 . . . . 75 HIS H . 11196 1 814 . 1 1 75 75 HIS HA H 1 4.458 0.030 . 1 . . . . 75 HIS HA . 11196 1 815 . 1 1 75 75 HIS HB2 H 1 3.024 0.030 . 2 . . . . 75 HIS HB2 . 11196 1 816 . 1 1 75 75 HIS HB3 H 1 3.191 0.030 . 2 . . . . 75 HIS HB3 . 11196 1 817 . 1 1 75 75 HIS HD2 H 1 7.039 0.030 . 1 . . . . 75 HIS HD2 . 11196 1 818 . 1 1 75 75 HIS C C 13 179.539 0.300 . 1 . . . . 75 HIS C . 11196 1 819 . 1 1 75 75 HIS CA C 13 57.174 0.300 . 1 . . . . 75 HIS CA . 11196 1 820 . 1 1 75 75 HIS CB C 13 30.831 0.300 . 1 . . . . 75 HIS CB . 11196 1 821 . 1 1 75 75 HIS CD2 C 13 119.904 0.300 . 1 . . . . 75 HIS CD2 . 11196 1 822 . 1 1 75 75 HIS N N 15 123.956 0.300 . 1 . . . . 75 HIS N . 11196 1 stop_ save_