################################### # 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 16808 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16808 1 2 '2D 1H-13C HSQC' . . . 16808 1 4 '3D HNCO' . . . 16808 1 17 '2D 1H-13C HSQC high res. (L/V methyl stereospecific assignment)' . . . 16808 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 8 $SPARKY . . 16808 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 12 12 LYS HA H 1 4.188 0.03 . 1 . . . . . 62 Lys HA . 16808 1 2 . 1 . 1 12 12 LYS HB2 H 1 1.528 0.03 . 2 . . . . . 62 Lys HB2 . 16808 1 3 . 1 . 1 12 12 LYS HB3 H 1 1.728 0.03 . 2 . . . . . 62 Lys HB3 . 16808 1 4 . 1 . 1 12 12 LYS HD2 H 1 1.473 0.03 . 2 . . . . . 62 Lys HD2 . 16808 1 5 . 1 . 1 12 12 LYS HD3 H 1 1.638 0.03 . 2 . . . . . 62 Lys HD3 . 16808 1 6 . 1 . 1 12 12 LYS HE2 H 1 2.856 0.03 . 2 . . . . . 62 Lys HE2 . 16808 1 7 . 1 . 1 12 12 LYS HE3 H 1 2.856 0.03 . 2 . . . . . 62 Lys HE3 . 16808 1 8 . 1 . 1 12 12 LYS HG2 H 1 1.373 0.03 . 2 . . . . . 62 Lys HG2 . 16808 1 9 . 1 . 1 12 12 LYS HG3 H 1 1.355 0.03 . 2 . . . . . 62 Lys HG3 . 16808 1 10 . 1 . 1 12 12 LYS C C 13 178.364 0.30 . 1 . . . . . 62 Lys C . 16808 1 11 . 1 . 1 12 12 LYS CA C 13 58.767 0.30 . 1 . . . . . 62 Lys CA . 16808 1 12 . 1 . 1 12 12 LYS CB C 13 32.033 0.30 . 1 . . . . . 62 Lys CB . 16808 1 13 . 1 . 1 12 12 LYS CD C 13 28.792 0.30 . 1 . . . . . 62 Lys CD . 16808 1 14 . 1 . 1 12 12 LYS CE C 13 42.041 0.30 . 1 . . . . . 62 Lys CE . 16808 1 15 . 1 . 1 12 12 LYS CG C 13 25.000 0.30 . 1 . . . . . 62 Lys CG . 16808 1 16 . 1 . 1 13 13 TYR H H 1 7.873 0.03 . 1 . . . . . 63 Tyr H . 16808 1 17 . 1 . 1 13 13 TYR HA H 1 4.252 0.03 . 1 . . . . . 63 Tyr HA . 16808 1 18 . 1 . 1 13 13 TYR HB2 H 1 3.000 0.03 . 2 . . . . . 63 Tyr HB2 . 16808 1 19 . 1 . 1 13 13 TYR HB3 H 1 3.000 0.03 . 2 . . . . . 63 Tyr HB3 . 16808 1 20 . 1 . 1 13 13 TYR HD1 H 1 7.062 0.03 . 3 . . . . . 63 Tyr HD1 . 16808 1 21 . 1 . 1 13 13 TYR HD2 H 1 7.062 0.03 . 3 . . . . . 63 Tyr HD2 . 16808 1 22 . 1 . 1 13 13 TYR HE1 H 1 6.789 0.03 . 3 . . . . . 63 Tyr HE1 . 16808 1 23 . 1 . 1 13 13 TYR HE2 H 1 6.789 0.03 . 3 . . . . . 63 Tyr HE2 . 16808 1 24 . 1 . 1 13 13 TYR C C 13 177.566 0.30 . 1 . . . . . 63 Tyr C . 16808 1 25 . 1 . 1 13 13 TYR CA C 13 60.967 0.30 . 1 . . . . . 63 Tyr CA . 16808 1 26 . 1 . 1 13 13 TYR CB C 13 37.870 0.30 . 1 . . . . . 63 Tyr CB . 16808 1 27 . 1 . 1 13 13 TYR CD1 C 13 132.131 0.30 . 3 . . . . . 63 Tyr CD1 . 16808 1 28 . 1 . 1 13 13 TYR CD2 C 13 132.131 0.30 . 3 . . . . . 63 Tyr CD2 . 16808 1 29 . 1 . 1 13 13 TYR CE1 C 13 118.745 0.30 . 3 . . . . . 63 Tyr CE1 . 16808 1 30 . 1 . 1 13 13 TYR CE2 C 13 118.745 0.30 . 3 . . . . . 63 Tyr CE2 . 16808 1 31 . 1 . 1 13 13 TYR N N 15 117.647 0.30 . 1 . . . . . 63 Tyr N . 16808 1 32 . 1 . 1 14 14 ALA H H 1 7.958 0.03 . 1 . . . . . 64 Ala H . 16808 1 33 . 1 . 1 14 14 ALA HA H 1 4.072 0.03 . 1 . . . . . 64 Ala HA . 16808 1 34 . 1 . 1 14 14 ALA HB1 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1 35 . 1 . 1 14 14 ALA HB2 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1 36 . 1 . 1 14 14 ALA HB3 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1 37 . 1 . 1 14 14 ALA C C 13 180.871 0.30 . 1 . . . . . 64 Ala C . 16808 1 38 . 1 . 1 14 14 ALA CA C 13 55.412 0.30 . 1 . . . . . 64 Ala CA . 16808 1 39 . 1 . 1 14 14 ALA CB C 13 18.056 0.30 . 1 . . . . . 64 Ala CB . 16808 1 40 . 1 . 1 14 14 ALA N N 15 121.127 0.30 . 1 . . . . . 64 Ala N . 16808 1 41 . 1 . 1 15 15 GLU H H 1 8.058 0.03 . 1 . . . . . 65 Glu H . 16808 1 42 . 1 . 1 15 15 GLU HA H 1 4.002 0.03 . 1 . . . . . 65 Glu HA . 16808 1 43 . 1 . 1 15 15 GLU HB2 H 1 2.129 0.03 . 2 . . . . . 65 Glu HB2 . 16808 1 44 . 1 . 1 15 15 GLU HB3 H 1 2.087 0.03 . 2 . . . . . 65 Glu HB3 . 16808 1 45 . 1 . 1 15 15 GLU HG2 H 1 2.401 0.03 . 2 . . . . . 65 Glu HG2 . 16808 1 46 . 1 . 1 15 15 GLU HG3 H 1 2.133 0.03 . 2 . . . . . 65 Glu HG3 . 16808 1 47 . 1 . 1 15 15 GLU C C 13 178.678 0.30 . 1 . . . . . 65 Glu C . 16808 1 48 . 1 . 1 15 15 GLU CA C 13 59.637 0.30 . 1 . . . . . 65 Glu CA . 16808 1 49 . 1 . 1 15 15 GLU CB C 13 29.740 0.30 . 1 . . . . . 65 Glu CB . 16808 1 50 . 1 . 1 15 15 GLU CG C 13 36.419 0.30 . 1 . . . . . 65 Glu CG . 16808 1 51 . 1 . 1 15 15 GLU N N 15 120.895 0.30 . 1 . . . . . 65 Glu N . 16808 1 52 . 1 . 1 16 16 LEU H H 1 8.222 0.03 . 1 . . . . . 66 Leu H . 16808 1 53 . 1 . 1 16 16 LEU HA H 1 3.991 0.03 . 1 . . . . . 66 Leu HA . 16808 1 54 . 1 . 1 16 16 LEU HB2 H 1 1.883 0.03 . 2 . . . . . 66 Leu HB2 . 16808 1 55 . 1 . 1 16 16 LEU HB3 H 1 1.760 0.03 . 2 . . . . . 66 Leu HB3 . 16808 1 56 . 1 . 1 16 16 LEU HG H 1 1.676 0.03 . 1 . . . . . 66 Leu HG . 16808 1 57 . 1 . 1 16 16 LEU HD11 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1 58 . 1 . 1 16 16 LEU HD12 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1 59 . 1 . 1 16 16 LEU HD13 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1 60 . 1 . 1 16 16 LEU HD21 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1 61 . 1 . 1 16 16 LEU HD22 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1 62 . 1 . 1 16 16 LEU HD23 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1 63 . 1 . 1 16 16 LEU C C 13 178.013 0.30 . 1 . . . . . 66 Leu C . 16808 1 64 . 1 . 1 16 16 LEU CA C 13 57.948 0.30 . 1 . . . . . 66 Leu CA . 16808 1 65 . 1 . 1 16 16 LEU CB C 13 42.072 0.30 . 1 . . . . . 66 Leu CG . 16808 1 66 . 1 . 1 16 16 LEU CG C 13 26.922 0.30 . 1 . . . . . 66 Leu CG . 16808 1 67 . 1 . 1 16 16 LEU CD1 C 13 23.805 0.30 . 1 . . . . . 66 Leu CD1 . 16808 1 68 . 1 . 1 16 16 LEU CD2 C 13 26.832 0.30 . 1 . . . . . 66 Leu CD2 . 16808 1 69 . 1 . 1 16 16 LEU N N 15 120.253 0.30 . 1 . . . . . 66 Leu N . 16808 1 70 . 1 . 1 17 17 LEU H H 1 8.351 0.03 . 1 . . . . . 67 Leu H . 16808 1 71 . 1 . 1 17 17 LEU HA H 1 3.946 0.03 . 1 . . . . . 67 Leu HA . 16808 1 72 . 1 . 1 17 17 LEU HB2 H 1 1.825 0.03 . 2 . . . . . 67 Leu HB2 . 16808 1 73 . 1 . 1 17 17 LEU HB3 H 1 1.652 0.03 . 2 . . . . . 67 Leu HB3 . 16808 1 74 . 1 . 1 17 17 LEU HD11 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1 75 . 1 . 1 17 17 LEU HD12 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1 76 . 1 . 1 17 17 LEU HD13 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1 77 . 1 . 1 17 17 LEU HD21 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1 78 . 1 . 1 17 17 LEU HD22 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1 79 . 1 . 1 17 17 LEU HD23 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1 80 . 1 . 1 17 17 LEU HG H 1 1.710 0.03 . 1 . . . . . 67 Leu HG . 16808 1 81 . 1 . 1 17 17 LEU C C 13 178.091 0.30 . 1 . . . . . 67 Leu C . 16808 1 82 . 1 . 1 17 17 LEU CA C 13 58.555 0.30 . 1 . . . . . 67 Leu CA . 16808 1 83 . 1 . 1 17 17 LEU CB C 13 41.522 0.30 . 1 . . . . . 67 Leu CB . 16808 1 84 . 1 . 1 17 17 LEU CD1 C 13 24.457 0.30 . 1 . . . . . 67 Leu CD1 . 16808 1 85 . 1 . 1 17 17 LEU CD2 C 13 25.414 0.30 . 1 . . . . . 67 Leu CD2 . 16808 1 86 . 1 . 1 17 17 LEU CG C 13 26.895 0.30 . 1 . . . . . 67 Leu CG . 16808 1 87 . 1 . 1 17 17 LEU N N 15 119.123 0.30 . 1 . . . . . 67 Leu N . 16808 1 88 . 1 . 1 18 18 ALA H H 1 7.649 0.03 . 1 . . . . . 68 Ala H . 16808 1 89 . 1 . 1 18 18 ALA HA H 1 4.162 0.03 . 1 . . . . . 68 Ala HA . 16808 1 90 . 1 . 1 18 18 ALA HB1 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1 91 . 1 . 1 18 18 ALA HB2 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1 92 . 1 . 1 18 18 ALA HB3 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1 93 . 1 . 1 18 18 ALA C C 13 180.998 0.30 . 1 . . . . . 68 Ala C . 16808 1 94 . 1 . 1 18 18 ALA CA C 13 55.410 0.30 . 1 . . . . . 68 Ala CA . 16808 1 95 . 1 . 1 18 18 ALA CB C 13 17.745 0.30 . 1 . . . . . 68 Ala CB . 16808 1 96 . 1 . 1 18 18 ALA N N 15 120.015 0.30 . 1 . . . . . 68 Ala N . 16808 1 97 . 1 . 1 19 19 ILE H H 1 8.101 0.03 . 1 . . . . . 69 Ile H . 16808 1 98 . 1 . 1 19 19 ILE HA H 1 3.898 0.03 . 1 . . . . . 69 Ile HA . 16808 1 99 . 1 . 1 19 19 ILE HB H 1 1.990 0.03 . 1 . . . . . 69 Ile HB . 16808 1 100 . 1 . 1 19 19 ILE HD11 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1 101 . 1 . 1 19 19 ILE HD12 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1 102 . 1 . 1 19 19 ILE HD13 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1 103 . 1 . 1 19 19 ILE HG12 H 1 1.213 0.03 . 2 . . . . . 69 Ile HG12 . 16808 1 104 . 1 . 1 19 19 ILE HG13 H 1 1.634 0.03 . 2 . . . . . 69 Ile HG13 . 16808 1 105 . 1 . 1 19 19 ILE HG21 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1 106 . 1 . 1 19 19 ILE HG22 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1 107 . 1 . 1 19 19 ILE HG23 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1 108 . 1 . 1 19 19 ILE C C 13 178.255 0.30 . 1 . . . . . 69 Ile C . 16808 1 109 . 1 . 1 19 19 ILE CA C 13 64.301 0.30 . 1 . . . . . 69 Ile CA . 16808 1 110 . 1 . 1 19 19 ILE CB C 13 38.149 0.30 . 1 . . . . . 69 Ile CB . 16808 1 111 . 1 . 1 19 19 ILE CD1 C 13 13.704 0.30 . 1 . . . . . 69 Ile CD1 . 16808 1 112 . 1 . 1 19 19 ILE CG1 C 13 28.908 0.30 . 1 . . . . . 69 Ile CG1 . 16808 1 113 . 1 . 1 19 19 ILE CG2 C 13 17.780 0.30 . 1 . . . . . 69 Ile CG2 . 16808 1 114 . 1 . 1 19 19 ILE N N 15 119.130 0.30 . 1 . . . . . 69 Ile N . 16808 1 115 . 1 . 1 20 20 ILE H H 1 8.316 0.03 . 1 . . . . . 70 Ile H . 16808 1 116 . 1 . 1 20 20 ILE HA H 1 3.565 0.03 . 1 . . . . . 70 Ile HA . 16808 1 117 . 1 . 1 20 20 ILE HB H 1 2.074 0.03 . 1 . . . . . 70 Ile HB . 16808 1 118 . 1 . 1 20 20 ILE HD11 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1 119 . 1 . 1 20 20 ILE HD12 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1 120 . 1 . 1 20 20 ILE HD13 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1 121 . 1 . 1 20 20 ILE HG12 H 1 1.696 0.03 . 2 . . . . . 70 Ile HG12 . 16808 1 122 . 1 . 1 20 20 ILE HG13 H 1 1.114 0.03 . 2 . . . . . 70 Ile HG13 . 16808 1 123 . 1 . 1 20 20 ILE HG21 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1 124 . 1 . 1 20 20 ILE HG22 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1 125 . 1 . 1 20 20 ILE HG23 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1 126 . 1 . 1 20 20 ILE C C 13 178.031 0.30 . 1 . . . . . 70 Ile C . 16808 1 127 . 1 . 1 20 20 ILE CA C 13 65.111 0.30 . 1 . . . . . 70 Ile CA . 16808 1 128 . 1 . 1 20 20 ILE CB C 13 37.049 0.30 . 1 . . . . . 70 Ile CB . 16808 1 129 . 1 . 1 20 20 ILE CD1 C 13 12.796 0.30 . 1 . . . . . 70 Ile CD1 . 16808 1 130 . 1 . 1 20 20 ILE CG1 C 13 29.688 0.30 . 1 . . . . . 70 Ile CG1 . 16808 1 131 . 1 . 1 20 20 ILE CG2 C 13 18.276 0.30 . 1 . . . . . 70 Ile CG2 . 16808 1 132 . 1 . 1 20 20 ILE N N 15 120.575 0.30 . 1 . . . . . 70 Ile N . 16808 1 133 . 1 . 1 21 21 GLU H H 1 8.300 0.03 . 1 . . . . . 71 Glu H . 16808 1 134 . 1 . 1 21 21 GLU HA H 1 4.129 0.03 . 1 . . . . . 71 Glu HA . 16808 1 135 . 1 . 1 21 21 GLU C C 13 179.749 0.30 . 1 . . . . . 71 Glu C . 16808 1 136 . 1 . 1 21 21 GLU CA C 13 59.339 0.30 . 1 . . . . . 71 Glu CA . 16808 1 137 . 1 . 1 21 21 GLU CB C 13 29.346 0.30 . 1 . . . . . 71 Glu CB . 16808 1 138 . 1 . 1 21 21 GLU N N 15 118.628 0.30 . 1 . . . . . 71 Glu N . 16808 1 139 . 1 . 1 22 22 GLU H H 1 7.820 0.03 . 1 . . . . . 72 Glu H . 16808 1 140 . 1 . 1 22 22 GLU HA H 1 4.135 0.03 . 1 . . . . . 72 Glu HA . 16808 1 141 . 1 . 1 22 22 GLU C C 13 179.065 0.30 . 1 . . . . . 72 Glu C . 16808 1 142 . 1 . 1 22 22 GLU N N 15 119.637 0.30 . 1 . . . . . 72 Glu N . 16808 1 143 . 1 . 1 22 22 GLU HB2 H 1 2.195 0.03 . 2 . . . . . 72 Glu HB2 . 16808 1 144 . 1 . 1 22 22 GLU HB3 H 1 2.089 0.03 . 2 . . . . . 72 Glu HB3 . 16808 1 145 . 1 . 1 22 22 GLU HG2 H 1 2.453 0.03 . 2 . . . . . 72 Glu HG2 . 16808 1 146 . 1 . 1 22 22 GLU HG3 H 1 2.394 0.03 . 2 . . . . . 72 Glu HG3 . 16808 1 147 . 1 . 1 22 22 GLU CA C 13 59.114 0.30 . 1 . . . . . 72 Glu CA . 16808 1 148 . 1 . 1 22 22 GLU CB C 13 29.400 0.30 . 1 . . . . . 72 Glu CB . 16808 1 149 . 1 . 1 22 22 GLU CG C 13 36.170 0.30 . 1 . . . . . 72 Glu CG . 16808 1 150 . 1 . 1 23 23 LEU H H 1 8.307 0.03 . 1 . . . . . 73 Leu H . 16808 1 151 . 1 . 1 23 23 LEU HA H 1 4.044 0.03 . 1 . . . . . 73 Leu HA . 16808 1 152 . 1 . 1 23 23 LEU HB2 H 1 2.087 0.03 . 2 . . . . . 73 Leu HB2 . 16808 1 153 . 1 . 1 23 23 LEU HB3 H 1 1.252 0.03 . 2 . . . . . 73 Leu HB3 . 16808 1 154 . 1 . 1 23 23 LEU HD11 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1 155 . 1 . 1 23 23 LEU HD12 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1 156 . 1 . 1 23 23 LEU HD13 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1 157 . 1 . 1 23 23 LEU HD21 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1 158 . 1 . 1 23 23 LEU HD22 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1 159 . 1 . 1 23 23 LEU HD23 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1 160 . 1 . 1 23 23 LEU HG H 1 2.347 0.03 . 1 . . . . . 73 Leu HG . 16808 1 161 . 1 . 1 23 23 LEU C C 13 179.972 0.30 . 1 . . . . . 73 Leu C . 16808 1 162 . 1 . 1 23 23 LEU CA C 13 57.979 0.30 . 1 . . . . . 73 Leu CA . 16808 1 163 . 1 . 1 23 23 LEU CB C 13 41.743 0.30 . 1 . . . . . 73 Leu CB . 16808 1 164 . 1 . 1 23 23 LEU CD1 C 13 25.613 0.30 . 1 . . . . . 73 Leu CD1 . 16808 1 165 . 1 . 1 23 23 LEU CD2 C 13 23.337 0.30 . 1 . . . . . 73 Leu CD2 . 16808 1 166 . 1 . 1 23 23 LEU CG C 13 25.596 0.30 . 1 . . . . . 73 Leu CG . 16808 1 167 . 1 . 1 23 23 LEU N N 15 118.049 0.30 . 1 . . . . . 73 Leu N . 16808 1 168 . 1 . 1 24 24 GLY H H 1 7.979 0.03 . 1 . . . . . 74 Gly H . 16808 1 169 . 1 . 1 24 24 GLY HA2 H 1 4.051 0.03 . 2 . . . . . 74 Gly HA2 . 16808 1 170 . 1 . 1 24 24 GLY HA3 H 1 3.730 0.03 . 2 . . . . . 74 Gly HA3 . 16808 1 171 . 1 . 1 24 24 GLY C C 13 176.663 0.30 . 1 . . . . . 74 Gly C . 16808 1 172 . 1 . 1 24 24 GLY CA C 13 47.316 0.30 . 1 . . . . . 74 Gly CA . 16808 1 173 . 1 . 1 24 24 GLY N N 15 102.237 0.30 . 1 . . . . . 74 Gly N . 16808 1 174 . 1 . 1 25 25 LYS H H 1 7.693 0.03 . 1 . . . . . 75 Lys H . 16808 1 175 . 1 . 1 25 25 LYS HA H 1 4.230 0.03 . 1 . . . . . 75 Lys HA . 16808 1 176 . 1 . 1 25 25 LYS HB2 H 1 2.039 0.03 . 2 . . . . . 75 Lys HB2 . 16808 1 177 . 1 . 1 25 25 LYS HB3 H 1 1.954 0.03 . 2 . . . . . 75 Lys HB3 . 16808 1 178 . 1 . 1 25 25 LYS HE2 H 1 3.027 0.03 . 2 . . . . . 75 Lys HE2 . 16808 1 179 . 1 . 1 25 25 LYS HE3 H 1 2.964 0.03 . 2 . . . . . 75 Lys HE3 . 16808 1 180 . 1 . 1 25 25 LYS HG2 H 1 1.566 0.03 . 2 . . . . . 75 Lys HG2 . 16808 1 181 . 1 . 1 25 25 LYS HG3 H 1 1.566 0.03 . 2 . . . . . 75 Lys HG3 . 16808 1 182 . 1 . 1 25 25 LYS HD2 H 1 1.736 0.03 . 2 . . . . . 75 Lys HD2 . 16808 1 183 . 1 . 1 25 25 LYS HD3 H 1 1.736 0.03 . 2 . . . . . 75 Lys HD3 . 16808 1 184 . 1 . 1 25 25 LYS C C 13 177.405 0.30 . 1 . . . . . 75 Lys C . 16808 1 185 . 1 . 1 25 25 LYS CA C 13 58.491 0.30 . 1 . . . . . 75 Lys CA . 16808 1 186 . 1 . 1 25 25 LYS CB C 13 32.538 0.30 . 1 . . . . . 75 Lys CB . 16808 1 187 . 1 . 1 25 25 LYS CE C 13 42.177 0.30 . 1 . . . . . 75 Lys CE . 16808 1 188 . 1 . 1 25 25 LYS CG C 13 24.925 0.30 . 1 . . . . . 75 Lys CG . 16808 1 189 . 1 . 1 25 25 LYS CD C 13 29.580 0.30 . 1 . . . . . 75 Lys CD . 16808 1 190 . 1 . 1 25 25 LYS N N 15 119.650 0.30 . 1 . . . . . 75 Lys N . 16808 1 191 . 1 . 1 26 26 GLU H H 1 7.658 0.03 . 1 . . . . . 76 Glu H . 16808 1 192 . 1 . 1 26 26 GLU HA H 1 5.175 0.03 . 1 . . . . . 76 Glu HA . 16808 1 193 . 1 . 1 26 26 GLU HB2 H 1 2.401 0.03 . 2 . . . . . 76 Glu HB2 . 16808 1 194 . 1 . 1 26 26 GLU HB3 H 1 1.802 0.03 . 2 . . . . . 76 Glu HB3 . 16808 1 195 . 1 . 1 26 26 GLU HG2 H 1 2.608 0.03 . 2 . . . . . 76 Glu HG2 . 16808 1 196 . 1 . 1 26 26 GLU HG3 H 1 2.104 0.03 . 2 . . . . . 76 Glu HG3 . 16808 1 197 . 1 . 1 26 26 GLU C C 13 179.332 0.30 . 1 . . . . . 76 Glu C . 16808 1 198 . 1 . 1 26 26 GLU CA C 13 54.792 0.30 . 1 . . . . . 76 Glu CA . 16808 1 199 . 1 . 1 26 26 GLU CB C 13 29.889 0.30 . 1 . . . . . 76 Glu CB . 16808 1 200 . 1 . 1 26 26 GLU CG C 13 32.845 0.30 . 1 . . . . . 76 Glu CG . 16808 1 201 . 1 . 1 26 26 GLU N N 15 113.842 0.30 . 1 . . . . . 76 Glu N . 16808 1 202 . 1 . 1 27 27 ILE H H 1 7.441 0.03 . 1 . . . . . 77 Ile H . 16808 1 203 . 1 . 1 27 27 ILE HA H 1 3.436 0.03 . 1 . . . . . 77 Ile HA . 16808 1 204 . 1 . 1 27 27 ILE HB H 1 1.940 0.03 . 1 . . . . . 77 Ile HB . 16808 1 205 . 1 . 1 27 27 ILE HD11 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1 206 . 1 . 1 27 27 ILE HD12 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1 207 . 1 . 1 27 27 ILE HD13 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1 208 . 1 . 1 27 27 ILE HG12 H 1 2.048 0.03 . 2 . . . . . 77 Ile HG12 . 16808 1 209 . 1 . 1 27 27 ILE HG13 H 1 0.939 0.03 . 2 . . . . . 77 Ile HG13 . 16808 1 210 . 1 . 1 27 27 ILE HG21 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1 211 . 1 . 1 27 27 ILE HG22 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1 212 . 1 . 1 27 27 ILE HG23 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1 213 . 1 . 1 27 27 ILE C C 13 175.991 0.30 . 1 . . . . . 77 Ile C . 16808 1 214 . 1 . 1 27 27 ILE CA C 13 67.327 0.30 . 1 . . . . . 77 Ile CA . 16808 1 215 . 1 . 1 27 27 ILE CB C 13 37.983 0.30 . 1 . . . . . 77 Ile CB . 16808 1 216 . 1 . 1 27 27 ILE CD1 C 13 14.432 0.30 . 1 . . . . . 77 Ile CD1 . 16808 1 217 . 1 . 1 27 27 ILE CG1 C 13 28.128 0.30 . 1 . . . . . 77 Ile CG1 . 16808 1 218 . 1 . 1 27 27 ILE CG2 C 13 17.651 0.30 . 1 . . . . . 77 Ile CG2 . 16808 1 219 . 1 . 1 27 27 ILE N N 15 121.725 0.30 . 1 . . . . . 77 Ile N . 16808 1 220 . 1 . 1 28 28 ARG H H 1 8.940 0.03 . 1 . . . . . 78 Arg H . 16808 1 221 . 1 . 1 28 28 ARG HA H 1 4.320 0.03 . 1 . . . . . 78 Arg HA . 16808 1 222 . 1 . 1 28 28 ARG HB2 H 1 2.013 0.03 . 2 . . . . . 78 Arg HB2 . 16808 1 223 . 1 . 1 28 28 ARG HB3 H 1 1.955 0.03 . 2 . . . . . 78 Arg HB3 . 16808 1 224 . 1 . 1 28 28 ARG HD2 H 1 3.313 0.03 . 2 . . . . . 78 Arg HD2 . 16808 1 225 . 1 . 1 28 28 ARG HD3 H 1 3.284 0.03 . 2 . . . . . 78 Arg HD3 . 16808 1 226 . 1 . 1 28 28 ARG HG2 H 1 1.833 0.03 . 2 . . . . . 78 Arg HG2 . 16808 1 227 . 1 . 1 28 28 ARG HG3 H 1 1.707 0.03 . 2 . . . . . 78 Arg HG3 . 16808 1 228 . 1 . 1 28 28 ARG C C 13 176.735 0.30 . 1 . . . . . 78 Arg C . 16808 1 229 . 1 . 1 28 28 ARG CA C 13 61.505 0.30 . 1 . . . . . 78 Arg CA . 16808 1 230 . 1 . 1 28 28 ARG CB C 13 26.903 0.30 . 1 . . . . . 78 Arg CB . 16808 1 231 . 1 . 1 28 28 ARG CD C 13 43.221 0.30 . 1 . . . . . 78 Arg CD . 16808 1 232 . 1 . 1 28 28 ARG CG C 13 27.815 0.30 . 1 . . . . . 78 Arg CG . 16808 1 233 . 1 . 1 28 28 ARG N N 15 118.922 0.30 . 1 . . . . . 78 Arg N . 16808 1 234 . 1 . 1 29 29 PRO HA H 1 4.499 0.03 . 1 . . . . . 79 Pro HA . 16808 1 235 . 1 . 1 29 29 PRO HB2 H 1 2.340 0.03 . 2 . . . . . 79 Pro HB2 . 16808 1 236 . 1 . 1 29 29 PRO HB3 H 1 1.847 0.03 . 2 . . . . . 79 Pro HB3 . 16808 1 237 . 1 . 1 29 29 PRO HD2 H 1 3.813 0.03 . 2 . . . . . 79 Pro HD2 . 16808 1 238 . 1 . 1 29 29 PRO HD3 H 1 3.583 0.03 . 2 . . . . . 79 Pro HD3 . 16808 1 239 . 1 . 1 29 29 PRO HG2 H 1 2.328 0.03 . 2 . . . . . 79 Pro HG2 . 16808 1 240 . 1 . 1 29 29 PRO HG3 H 1 2.136 0.03 . 2 . . . . . 79 Pro HG3 . 16808 1 241 . 1 . 1 29 29 PRO C C 13 178.801 0.30 . 1 . . . . . 79 Pro C . 16808 1 242 . 1 . 1 29 29 PRO CA C 13 65.880 0.30 . 1 . . . . . 79 Pro CA . 16808 1 243 . 1 . 1 29 29 PRO CB C 13 30.173 0.30 . 1 . . . . . 79 Pro CB . 16808 1 244 . 1 . 1 29 29 PRO CD C 13 49.985 0.30 . 1 . . . . . 79 Pro CD . 16808 1 245 . 1 . 1 29 29 PRO CG C 13 28.181 0.30 . 1 . . . . . 79 Pro CG . 16808 1 246 . 1 . 1 30 30 THR H H 1 7.607 0.03 . 1 . . . . . 80 Thr H . 16808 1 247 . 1 . 1 30 30 THR HB H 1 4.088 0.03 . 1 . . . . . 80 Thr HB . 16808 1 248 . 1 . 1 30 30 THR HA H 1 4.403 0.03 . 1 . . . . . 80 Thr HA . 16808 1 249 . 1 . 1 30 30 THR HG21 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1 250 . 1 . 1 30 30 THR HG22 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1 251 . 1 . 1 30 30 THR HG23 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1 252 . 1 . 1 30 30 THR C C 13 176.922 0.30 . 1 . . . . . 80 Thr C . 16808 1 253 . 1 . 1 30 30 THR CB C 13 69.604 0.30 . 1 . . . . . 80 Thr CB . 16808 1 254 . 1 . 1 30 30 THR CA C 13 67.286 0.30 . 1 . . . . . 80 Thr CA . 16808 1 255 . 1 . 1 30 30 THR CG2 C 13 21.420 0.30 . 1 . . . . . 80 Thr CG2 . 16808 1 256 . 1 . 1 30 30 THR N N 15 117.830 0.30 . 1 . . . . . 80 Thr N . 16808 1 257 . 1 . 1 31 31 TYR H H 1 8.365 0.03 . 1 . . . . . 81 Tyr H . 16808 1 258 . 1 . 1 31 31 TYR HA H 1 4.822 0.03 . 1 . . . . . 81 Tyr HA . 16808 1 259 . 1 . 1 31 31 TYR HB2 H 1 3.255 0.03 . 2 . . . . . 81 Tyr HB2 . 16808 1 260 . 1 . 1 31 31 TYR HB3 H 1 3.015 0.03 . 2 . . . . . 81 Tyr HB3 . 16808 1 261 . 1 . 1 31 31 TYR HD1 H 1 7.246 0.03 . 3 . . . . . 81 Tyr HD1 . 16808 1 262 . 1 . 1 31 31 TYR HD2 H 1 7.246 0.03 . 3 . . . . . 81 Tyr HD2 . 16808 1 263 . 1 . 1 31 31 TYR HE1 H 1 6.619 0.03 . 3 . . . . . 81 Tyr HE1 . 16808 1 264 . 1 . 1 31 31 TYR HE2 H 1 6.619 0.03 . 3 . . . . . 81 Tyr HE2 . 16808 1 265 . 1 . 1 31 31 TYR C C 13 177.239 0.30 . 1 . . . . . 81 Tyr C . 16808 1 266 . 1 . 1 31 31 TYR CA C 13 58.938 0.30 . 1 . . . . . 81 Tyr CA . 16808 1 267 . 1 . 1 31 31 TYR CB C 13 39.246 0.30 . 1 . . . . . 81 Tyr CB . 16808 1 268 . 1 . 1 31 31 TYR CD1 C 13 133.267 0.30 . 3 . . . . . 81 Tyr CD1 . 16808 1 269 . 1 . 1 31 31 TYR CD2 C 13 133.267 0.30 . 3 . . . . . 81 Tyr CD2 . 16808 1 270 . 1 . 1 31 31 TYR CE1 C 13 117.995 0.30 . 3 . . . . . 81 Tyr CE1 . 16808 1 271 . 1 . 1 31 31 TYR CE2 C 13 117.995 0.30 . 3 . . . . . 81 Tyr CE2 . 16808 1 272 . 1 . 1 31 31 TYR N N 15 123.518 0.30 . 1 . . . . . 81 Tyr N . 16808 1 273 . 1 . 1 32 32 ALA H H 1 7.912 0.03 . 1 . . . . . 82 Ala H . 16808 1 274 . 1 . 1 32 32 ALA HA H 1 4.136 0.03 . 1 . . . . . 82 Ala HA . 16808 1 275 . 1 . 1 32 32 ALA HB1 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1 276 . 1 . 1 32 32 ALA HB2 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1 277 . 1 . 1 32 32 ALA HB3 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1 278 . 1 . 1 32 32 ALA C C 13 177.706 0.30 . 1 . . . . . 82 Ala C . 16808 1 279 . 1 . 1 32 32 ALA CA C 13 51.948 0.30 . 1 . . . . . 82 Ala CA . 16808 1 280 . 1 . 1 32 32 ALA CB C 13 18.666 0.30 . 1 . . . . . 82 Ala CB . 16808 1 281 . 1 . 1 32 32 ALA N N 15 120.093 0.30 . 1 . . . . . 82 Ala N . 16808 1 282 . 1 . 1 33 33 GLY H H 1 8.281 0.03 . 1 . . . . . 83 Gly H . 16808 1 283 . 1 . 1 33 33 GLY HA2 H 1 4.137 0.03 . 2 . . . . . 83 Gly HA2 . 16808 1 284 . 1 . 1 33 33 GLY HA3 H 1 3.615 0.03 . 2 . . . . . 83 Gly HA3 . 16808 1 285 . 1 . 1 33 33 GLY C C 13 174.904 0.30 . 1 . . . . . 83 Gly C . 16808 1 286 . 1 . 1 33 33 GLY CA C 13 45.869 0.30 . 1 . . . . . 83 Gly CA . 16808 1 287 . 1 . 1 33 33 GLY N N 15 108.730 0.30 . 1 . . . . . 83 Gly N . 16808 1 288 . 1 . 1 34 34 SER H H 1 8.341 0.03 . 1 . . . . . 84 Ser H . 16808 1 289 . 1 . 1 34 34 SER HA H 1 4.716 0.03 . 1 . . . . . 84 Ser HA . 16808 1 290 . 1 . 1 34 34 SER HB2 H 1 3.958 0.03 . 2 . . . . . 84 Ser HB2 . 16808 1 291 . 1 . 1 34 34 SER HB3 H 1 3.816 0.03 . 2 . . . . . 84 Ser HB3 . 16808 1 292 . 1 . 1 34 34 SER C C 13 175.016 0.30 . 1 . . . . . 84 Ser C . 16808 1 293 . 1 . 1 34 34 SER CA C 13 57.262 0.30 . 1 . . . . . 84 Ser CA . 16808 1 294 . 1 . 1 34 34 SER CB C 13 62.566 0.30 . 1 . . . . . 84 Ser CB . 16808 1 295 . 1 . 1 34 34 SER N N 15 115.242 0.30 . 1 . . . . . 84 Ser N . 16808 1 296 . 1 . 1 35 35 LYS H H 1 9.069 0.03 . 1 . . . . . 85 Lys H . 16808 1 297 . 1 . 1 35 35 LYS HA H 1 3.951 0.03 . 1 . . . . . 85 Lys HA . 16808 1 298 . 1 . 1 35 35 LYS HB2 H 1 2.126 0.03 . 2 . . . . . 85 Lys HB2 . 16808 1 299 . 1 . 1 35 35 LYS HB3 H 1 1.917 0.03 . 2 . . . . . 85 Lys HB3 . 16808 1 300 . 1 . 1 35 35 LYS HD2 H 1 1.730 0.03 . 2 . . . . . 85 Lys HD2 . 16808 1 301 . 1 . 1 35 35 LYS HD3 H 1 1.680 0.03 . 2 . . . . . 85 Lys HD3 . 16808 1 302 . 1 . 1 35 35 LYS HE2 H 1 3.008 0.03 . 2 . . . . . 85 Lys HE2 . 16808 1 303 . 1 . 1 35 35 LYS HE3 H 1 2.986 0.03 . 2 . . . . . 85 Lys HE3 . 16808 1 304 . 1 . 1 35 35 LYS HG2 H 1 1.394 0.03 . 2 . . . . . 85 Lys HG2 . 16808 1 305 . 1 . 1 35 35 LYS HG3 H 1 1.441 0.03 . 2 . . . . . 85 Lys HG3 . 16808 1 306 . 1 . 1 35 35 LYS C C 13 178.153 0.30 . 1 . . . . . 85 Lys C . 16808 1 307 . 1 . 1 35 35 LYS CA C 13 60.040 0.30 . 1 . . . . . 85 Lys CA . 16808 1 308 . 1 . 1 35 35 LYS CB C 13 32.832 0.30 . 1 . . . . . 85 Lys CB . 16808 1 309 . 1 . 1 35 35 LYS CD C 13 29.611 0.30 . 1 . . . . . 85 Lys CD . 16808 1 310 . 1 . 1 35 35 LYS CE C 13 42.181 0.30 . 1 . . . . . 85 Lys CE . 16808 1 311 . 1 . 1 35 35 LYS CG C 13 25.160 0.30 . 1 . . . . . 85 Lys CG . 16808 1 312 . 1 . 1 35 35 LYS N N 15 134.136 0.30 . 1 . . . . . 85 Lys N . 16808 1 313 . 1 . 1 36 36 SER H H 1 8.339 0.03 . 1 . . . . . 86 Ser H . 16808 1 314 . 1 . 1 36 36 SER HA H 1 4.186 0.03 . 1 . . . . . 86 Ser HA . 16808 1 315 . 1 . 1 36 36 SER HB2 H 1 3.902 0.03 . 2 . . . . . 86 Ser HB2 . 16808 1 316 . 1 . 1 36 36 SER HB3 H 1 3.813 0.03 . 2 . . . . . 86 Ser HB3 . 16808 1 317 . 1 . 1 36 36 SER C C 13 177.368 0.30 . 1 . . . . . 86 Ser C . 16808 1 318 . 1 . 1 36 36 SER CA C 13 61.234 0.30 . 1 . . . . . 86 Ser CA . 16808 1 319 . 1 . 1 36 36 SER CB C 13 62.142 0.30 . 1 . . . . . 86 Ser CB . 16808 1 320 . 1 . 1 36 36 SER N N 15 113.383 0.30 . 1 . . . . . 86 Ser N . 16808 1 321 . 1 . 1 37 37 ALA H H 1 7.721 0.03 . 1 . . . . . 87 Ala H . 16808 1 322 . 1 . 1 37 37 ALA HA H 1 3.993 0.03 . 1 . . . . . 87 Ala HA . 16808 1 323 . 1 . 1 37 37 ALA HB1 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1 324 . 1 . 1 37 37 ALA HB2 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1 325 . 1 . 1 37 37 ALA HB3 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1 326 . 1 . 1 37 37 ALA C C 13 178.192 0.30 . 1 . . . . . 87 Ala C . 16808 1 327 . 1 . 1 37 37 ALA CA C 13 55.322 0.30 . 1 . . . . . 87 Ala CA . 16808 1 328 . 1 . 1 37 37 ALA CB C 13 19.698 0.30 . 1 . . . . . 87 Ala CB . 16808 1 329 . 1 . 1 37 37 ALA N N 15 126.501 0.30 . 1 . . . . . 87 Ala N . 16808 1 330 . 1 . 1 38 38 MET H H 1 7.859 0.03 . 1 . . . . . 88 Met H . 16808 1 331 . 1 . 1 38 38 MET HA H 1 3.910 0.03 . 1 . . . . . 88 Met HA . 16808 1 332 . 1 . 1 38 38 MET HB2 H 1 1.869 0.03 . 2 . . . . . 88 Met HB2 . 16808 1 333 . 1 . 1 38 38 MET HB3 H 1 1.869 0.03 . 2 . . . . . 88 Met HB3 . 16808 1 334 . 1 . 1 38 38 MET HG2 H 1 2.058 0.03 . 2 . . . . . 88 Met HG2 . 16808 1 335 . 1 . 1 38 38 MET HG3 H 1 2.112 0.03 . 2 . . . . . 88 Met HG3 . 16808 1 336 . 1 . 1 38 38 MET HE1 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1 337 . 1 . 1 38 38 MET HE2 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1 338 . 1 . 1 38 38 MET HE3 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1 339 . 1 . 1 38 38 MET C C 13 178.474 0.30 . 1 . . . . . 88 Met C . 16808 1 340 . 1 . 1 38 38 MET CA C 13 59.578 0.30 . 1 . . . . . 88 Met CA . 16808 1 341 . 1 . 1 38 38 MET CB C 13 30.845 0.30 . 1 . . . . . 88 Met CB . 16808 1 342 . 1 . 1 38 38 MET CG C 13 30.844 0.30 . 1 . . . . . 88 Met CG . 16808 1 343 . 1 . 1 38 38 MET CE C 13 16.426 0.30 . 1 . . . . . 88 Met CE . 16808 1 344 . 1 . 1 38 38 MET N N 15 119.633 0.30 . 1 . . . . . 88 Met N . 16808 1 345 . 1 . 1 39 39 GLU H H 1 8.209 0.03 . 1 . . . . . 89 Glu H . 16808 1 346 . 1 . 1 39 39 GLU HA H 1 3.949 0.03 . 1 . . . . . 89 Glu HA . 16808 1 347 . 1 . 1 39 39 GLU HB2 H 1 2.073 0.03 . 2 . . . . . 89 Glu HB2 . 16808 1 348 . 1 . 1 39 39 GLU HB3 H 1 2.009 0.03 . 2 . . . . . 89 Glu HB3 . 16808 1 349 . 1 . 1 39 39 GLU HG2 H 1 2.452 0.03 . 2 . . . . . 89 Glu HG2 . 16808 1 350 . 1 . 1 39 39 GLU HG3 H 1 2.391 0.03 . 2 . . . . . 89 Glu HG3 . 16808 1 351 . 1 . 1 39 39 GLU C C 13 180.112 0.30 . 1 . . . . . 89 Glu C . 16808 1 352 . 1 . 1 39 39 GLU CA C 13 59.385 0.30 . 1 . . . . . 89 Glu CA . 16808 1 353 . 1 . 1 39 39 GLU CB C 13 29.183 0.30 . 1 . . . . . 89 Glu CB . 16808 1 354 . 1 . 1 39 39 GLU CG C 13 36.243 0.30 . 1 . . . . . 89 Glu CG . 16808 1 355 . 1 . 1 39 39 GLU N N 15 117.924 0.30 . 1 . . . . . 89 Glu N . 16808 1 356 . 1 . 1 40 40 ARG H H 1 7.894 0.03 . 1 . . . . . 90 Arg H . 16808 1 357 . 1 . 1 40 40 ARG HA H 1 3.993 0.03 . 1 . . . . . 90 Arg HA . 16808 1 358 . 1 . 1 40 40 ARG HB2 H 1 2.065 0.03 . 2 . . . . . 90 Arg HB2 . 16808 1 359 . 1 . 1 40 40 ARG HB3 H 1 1.679 0.03 . 2 . . . . . 90 Arg HB3 . 16808 1 360 . 1 . 1 40 40 ARG HD2 H 1 3.368 0.03 . 2 . . . . . 90 Arg HD2 . 16808 1 361 . 1 . 1 40 40 ARG HD3 H 1 3.067 0.03 . 2 . . . . . 90 Arg HD3 . 16808 1 362 . 1 . 1 40 40 ARG HE H 1 8.410 0.03 . 1 . . . . . 90 Arg HE . 16808 1 363 . 1 . 1 40 40 ARG HG2 H 1 1.957 0.03 . 2 . . . . . 90 Arg HG2 . 16808 1 364 . 1 . 1 40 40 ARG HG3 H 1 1.387 0.03 . 2 . . . . . 90 Arg HG3 . 16808 1 365 . 1 . 1 40 40 ARG C C 13 180.328 0.30 . 1 . . . . . 90 Arg C . 16808 1 366 . 1 . 1 40 40 ARG CA C 13 60.873 0.30 . 1 . . . . . 90 Arg CA . 16808 1 367 . 1 . 1 40 40 ARG CB C 13 30.824 0.30 . 1 . . . . . 90 Arg CB . 16808 1 368 . 1 . 1 40 40 ARG CD C 13 43.393 0.30 . 1 . . . . . 90 Arg CD . 16808 1 369 . 1 . 1 40 40 ARG CG C 13 28.768 0.30 . 1 . . . . . 90 Arg CG . 16808 1 370 . 1 . 1 40 40 ARG N N 15 120.656 0.30 . 1 . . . . . 90 Arg N . 16808 1 371 . 1 . 1 40 40 ARG NE N 15 84.679 0.30 . 1 . . . . . 90 Arg NE . 16808 1 372 . 1 . 1 41 41 LEU H H 1 8.749 0.03 . 1 . . . . . 91 Leu H . 16808 1 373 . 1 . 1 41 41 LEU HA H 1 4.043 0.03 . 1 . . . . . 91 Leu HA . 16808 1 374 . 1 . 1 41 41 LEU HB2 H 1 2.024 0.03 . 2 . . . . . 91 Leu HB2 . 16808 1 375 . 1 . 1 41 41 LEU HB3 H 1 1.733 0.03 . 2 . . . . . 91 Leu HB3 . 16808 1 376 . 1 . 1 41 41 LEU HD11 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1 377 . 1 . 1 41 41 LEU HD12 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1 378 . 1 . 1 41 41 LEU HD13 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1 379 . 1 . 1 41 41 LEU HD21 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1 380 . 1 . 1 41 41 LEU HD22 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1 381 . 1 . 1 41 41 LEU HD23 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1 382 . 1 . 1 41 41 LEU HG H 1 1.628 0.03 . 1 . . . . . 91 Leu HG . 16808 1 383 . 1 . 1 41 41 LEU C C 13 177.808 0.30 . 1 . . . . . 91 Leu C . 16808 1 384 . 1 . 1 41 41 LEU CA C 13 58.798 0.30 . 1 . . . . . 91 Leu CA . 16808 1 385 . 1 . 1 41 41 LEU CB C 13 42.116 0.30 . 1 . . . . . 91 Leu CB . 16808 1 386 . 1 . 1 41 41 LEU CD1 C 13 25.028 0.30 . 1 . . . . . 91 Leu CD1 . 16808 1 387 . 1 . 1 41 41 LEU CD2 C 13 27.050 0.30 . 1 . . . . . 91 Leu CD2 . 16808 1 388 . 1 . 1 41 41 LEU CG C 13 27.473 0.30 . 1 . . . . . 91 Leu CG . 16808 1 389 . 1 . 1 41 41 LEU N N 15 124.877 0.30 . 1 . . . . . 91 Leu N . 16808 1 390 . 1 . 1 42 42 LYS H H 1 8.615 0.03 . 1 . . . . . 92 Lys H . 16808 1 391 . 1 . 1 42 42 LYS HA H 1 3.804 0.03 . 1 . . . . . 92 Lys HA . 16808 1 392 . 1 . 1 42 42 LYS HB2 H 1 1.919 0.03 . 2 . . . . . 92 Lys HB2 . 16808 1 393 . 1 . 1 42 42 LYS HB3 H 1 1.847 0.03 . 2 . . . . . 92 Lys HB3 . 16808 1 394 . 1 . 1 42 42 LYS HD2 H 1 1.714 0.03 . 2 . . . . . 92 Lys HD2 . 16808 1 395 . 1 . 1 42 42 LYS HD3 H 1 1.674 0.03 . 2 . . . . . 92 Lys HD3 . 16808 1 396 . 1 . 1 42 42 LYS HE2 H 1 2.930 0.03 . 2 . . . . . 92 Lys HE2 . 16808 1 397 . 1 . 1 42 42 LYS HE3 H 1 2.930 0.03 . 2 . . . . . 92 Lys HE3 . 16808 1 398 . 1 . 1 42 42 LYS HG2 H 1 1.614 0.03 . 2 . . . . . 92 Lys HG2 . 16808 1 399 . 1 . 1 42 42 LYS HG3 H 1 1.614 0.03 . 2 . . . . . 92 Lys HG3 . 16808 1 400 . 1 . 1 42 42 LYS C C 13 179.005 0.30 . 1 . . . . . 92 Lys C . 16808 1 401 . 1 . 1 42 42 LYS CA C 13 60.492 0.30 . 1 . . . . . 92 Lys CA . 16808 1 402 . 1 . 1 42 42 LYS CB C 13 32.977 0.30 . 1 . . . . . 92 Lys CB . 16808 1 403 . 1 . 1 42 42 LYS CD C 13 29.859 0.30 . 1 . . . . . 92 Lys CD . 16808 1 404 . 1 . 1 42 42 LYS CE C 13 41.750 0.30 . 1 . . . . . 92 Lys CE . 16808 1 405 . 1 . 1 42 42 LYS CG C 13 25.136 0.30 . 1 . . . . . 92 Lys CG . 16808 1 406 . 1 . 1 42 42 LYS N N 15 118.379 0.30 . 1 . . . . . 92 Lys N . 16808 1 407 . 1 . 1 43 43 ARG H H 1 8.271 0.03 . 1 . . . . . 93 Arg H . 16808 1 408 . 1 . 1 43 43 ARG HA H 1 3.986 0.03 . 1 . . . . . 93 Arg HA . 16808 1 409 . 1 . 1 43 43 ARG HB2 H 1 1.923 0.03 . 2 . . . . . 93 Arg HB2 . 16808 1 410 . 1 . 1 43 43 ARG HB3 H 1 1.844 0.03 . 2 . . . . . 93 Arg HB3 . 16808 1 411 . 1 . 1 43 43 ARG HD2 H 1 3.222 0.03 . 2 . . . . . 93 Arg HD2 . 16808 1 412 . 1 . 1 43 43 ARG HD3 H 1 3.182 0.03 . 2 . . . . . 93 Arg HD3 . 16808 1 413 . 1 . 1 43 43 ARG HG2 H 1 1.836 0.03 . 2 . . . . . 93 Arg HG2 . 16808 1 414 . 1 . 1 43 43 ARG HG3 H 1 1.618 0.03 . 2 . . . . . 93 Arg HG3 . 16808 1 415 . 1 . 1 43 43 ARG C C 13 179.459 0.30 . 1 . . . . . 93 Arg C . 16808 1 416 . 1 . 1 43 43 ARG CA C 13 59.508 0.30 . 1 . . . . . 93 Arg CA . 16808 1 417 . 1 . 1 43 43 ARG CB C 13 30.147 0.30 . 1 . . . . . 93 Arg CB . 16808 1 418 . 1 . 1 43 43 ARG CD C 13 43.648 0.30 . 1 . . . . . 93 Arg CD . 16808 1 419 . 1 . 1 43 43 ARG CG C 13 27.823 0.30 . 1 . . . . . 93 Arg CG . 16808 1 420 . 1 . 1 43 43 ARG N N 15 117.272 0.30 . 1 . . . . . 93 Arg N . 16808 1 421 . 1 . 1 44 44 GLY H H 1 8.364 0.03 . 1 . . . . . 94 Gly H . 16808 1 422 . 1 . 1 44 44 GLY HA2 H 1 4.046 0.03 . 2 . . . . . 94 Gly HA2 . 16808 1 423 . 1 . 1 44 44 GLY HA3 H 1 3.856 0.03 . 2 . . . . . 94 Gly HA3 . 16808 1 424 . 1 . 1 44 44 GLY C C 13 175.428 0.30 . 1 . . . . . 94 Gly C . 16808 1 425 . 1 . 1 44 44 GLY CA C 13 47.706 0.30 . 1 . . . . . 94 Gly CA . 16808 1 426 . 1 . 1 44 44 GLY N N 15 108.885 0.30 . 1 . . . . . 94 Gly N . 16808 1 427 . 1 . 1 45 45 ILE H H 1 8.223 0.03 . 1 . . . . . 95 Ile H . 16808 1 428 . 1 . 1 45 45 ILE HA H 1 3.689 0.03 . 1 . . . . . 95 Ile HA . 16808 1 429 . 1 . 1 45 45 ILE HB H 1 2.074 0.03 . 1 . . . . . 95 Ile HB . 16808 1 430 . 1 . 1 45 45 ILE HD11 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1 431 . 1 . 1 45 45 ILE HD12 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1 432 . 1 . 1 45 45 ILE HD13 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1 433 . 1 . 1 45 45 ILE HG12 H 1 1.707 0.03 . 2 . . . . . 95 Ile HG12 . 16808 1 434 . 1 . 1 45 45 ILE HG13 H 1 1.253 0.03 . 2 . . . . . 95 Ile HG13 . 16808 1 435 . 1 . 1 45 45 ILE HG21 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1 436 . 1 . 1 45 45 ILE HG22 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1 437 . 1 . 1 45 45 ILE HG23 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1 438 . 1 . 1 45 45 ILE C C 13 177.578 0.30 . 1 . . . . . 95 Ile C . 16808 1 439 . 1 . 1 45 45 ILE CA C 13 64.842 0.30 . 1 . . . . . 95 Ile CA . 16808 1 440 . 1 . 1 45 45 ILE CB C 13 36.918 0.30 . 1 . . . . . 95 Ile CB . 16808 1 441 . 1 . 1 45 45 ILE CD1 C 13 13.020 0.30 . 1 . . . . . 95 Ile CD1 . 16808 1 442 . 1 . 1 45 45 ILE CG1 C 13 30.168 0.30 . 1 . . . . . 95 Ile CG1 . 16808 1 443 . 1 . 1 45 45 ILE CG2 C 13 17.562 0.30 . 1 . . . . . 95 Ile CG2 . 16808 1 444 . 1 . 1 45 45 ILE N N 15 123.012 0.30 . 1 . . . . . 95 Ile N . 16808 1 445 . 1 . 1 46 46 ILE H H 1 7.817 0.03 . 1 . . . . . 96 Ile H . 16808 1 446 . 1 . 1 46 46 ILE HA H 1 3.651 0.03 . 1 . . . . . 96 Ile HA . 16808 1 447 . 1 . 1 46 46 ILE HB H 1 1.965 0.03 . 1 . . . . . 96 Ile HB . 16808 1 448 . 1 . 1 46 46 ILE HD11 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1 449 . 1 . 1 46 46 ILE HD12 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1 450 . 1 . 1 46 46 ILE HD13 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1 451 . 1 . 1 46 46 ILE HG12 H 1 1.772 0.03 . 2 . . . . . 96 Ile HG12 . 16808 1 452 . 1 . 1 46 46 ILE HG13 H 1 1.171 0.03 . 2 . . . . . 96 Ile HG13 . 16808 1 453 . 1 . 1 46 46 ILE HG21 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1 454 . 1 . 1 46 46 ILE HG22 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1 455 . 1 . 1 46 46 ILE HG23 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1 456 . 1 . 1 46 46 ILE C C 13 179.569 0.30 . 1 . . . . . 96 Ile C . 16808 1 457 . 1 . 1 46 46 ILE CA C 13 65.612 0.30 . 1 . . . . . 96 Ile CA . 16808 1 458 . 1 . 1 46 46 ILE CB C 13 37.927 0.30 . 1 . . . . . 96 Ile CB . 16808 1 459 . 1 . 1 46 46 ILE CD1 C 13 13.287 0.30 . 1 . . . . . 96 Ile CD1 . 16808 1 460 . 1 . 1 46 46 ILE CG1 C 13 29.585 0.30 . 1 . . . . . 96 Ile CG1 . 16808 1 461 . 1 . 1 46 46 ILE CG2 C 13 17.319 0.30 . 1 . . . . . 96 Ile CG2 . 16808 1 462 . 1 . 1 46 46 ILE N N 15 120.801 0.30 . 1 . . . . . 96 Ile N . 16808 1 463 . 1 . 1 47 47 HIS H H 1 8.402 0.03 . 1 . . . . . 97 His H . 16808 1 464 . 1 . 1 47 47 HIS HA H 1 4.591 0.03 . 1 . . . . . 97 His HA . 16808 1 465 . 1 . 1 47 47 HIS HB2 H 1 3.395 0.03 . 2 . . . . . 97 His HB2 . 16808 1 466 . 1 . 1 47 47 HIS HB3 H 1 3.346 0.03 . 2 . . . . . 97 His HB3 . 16808 1 467 . 1 . 1 47 47 HIS HD2 H 1 7.076 0.03 . 1 . . . . . 97 His HD2 . 16808 1 468 . 1 . 1 47 47 HIS C C 13 178.105 0.30 . 1 . . . . . 97 His C . 16808 1 469 . 1 . 1 47 47 HIS CA C 13 57.964 0.30 . 1 . . . . . 97 His CA . 16808 1 470 . 1 . 1 47 47 HIS CB C 13 30.340 0.30 . 1 . . . . . 97 His CB . 16808 1 471 . 1 . 1 47 47 HIS CD2 C 13 118.40 0.30 . 1 . . . . . 97 His CD2 . 16808 1 472 . 1 . 1 47 47 HIS N N 15 121.221 0.30 . 1 . . . . . 97 His N . 16808 1 473 . 1 . 1 48 48 ALA H H 1 9.037 0.03 . 1 . . . . . 98 Ala H . 16808 1 474 . 1 . 1 48 48 ALA HA H 1 3.875 0.03 . 1 . . . . . 98 Ala HA . 16808 1 475 . 1 . 1 48 48 ALA HB1 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1 476 . 1 . 1 48 48 ALA HB2 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1 477 . 1 . 1 48 48 ALA HB3 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1 478 . 1 . 1 48 48 ALA C C 13 178.342 0.30 . 1 . . . . . 98 Ala C . 16808 1 479 . 1 . 1 48 48 ALA CA C 13 55.708 0.30 . 1 . . . . . 98 Ala CA . 16808 1 480 . 1 . 1 48 48 ALA CB C 13 17.340 0.30 . 1 . . . . . 98 Ala CB . 16808 1 481 . 1 . 1 48 48 ALA N N 15 121.780 0.30 . 1 . . . . . 98 Ala N . 16808 1 482 . 1 . 1 49 49 ARG H H 1 8.653 0.03 . 1 . . . . . 99 Arg H . 16808 1 483 . 1 . 1 49 49 ARG HA H 1 3.697 0.03 . 1 . . . . . 99 Arg HA . 16808 1 484 . 1 . 1 49 49 ARG HB2 H 1 2.071 0.03 . 2 . . . . . 99 Arg HB2 . 16808 1 485 . 1 . 1 49 49 ARG HB3 H 1 1.886 0.03 . 2 . . . . . 99 Arg HB3 . 16808 1 486 . 1 . 1 49 49 ARG HD2 H 1 3.171 0.03 . 2 . . . . . 99 Arg HD2 . 16808 1 487 . 1 . 1 49 49 ARG HD3 H 1 3.251 0.03 . 2 . . . . . 99 Arg HD3 . 16808 1 488 . 1 . 1 49 49 ARG HG2 H 1 1.649 0.03 . 2 . . . . . 99 Arg HG2 . 16808 1 489 . 1 . 1 49 49 ARG HG3 H 1 1.502 0.03 . 2 . . . . . 99 Arg HG3 . 16808 1 490 . 1 . 1 49 49 ARG C C 13 178.281 0.30 . 1 . . . . . 99 Arg C . 16808 1 491 . 1 . 1 49 49 ARG CA C 13 60.310 0.30 . 1 . . . . . 99 Arg CA . 16808 1 492 . 1 . 1 49 49 ARG CB C 13 30.509 0.30 . 1 . . . . . 99 Arg CB . 16808 1 493 . 1 . 1 49 49 ARG CD C 13 44.206 0.30 . 1 . . . . . 99 Arg CD . 16808 1 494 . 1 . 1 49 49 ARG CG C 13 27.523 0.30 . 1 . . . . . 99 Arg CG . 16808 1 495 . 1 . 1 49 49 ARG N N 15 117.577 0.30 . 1 . . . . . 99 Arg N . 16808 1 496 . 1 . 1 50 50 GLY H H 1 7.948 0.03 . 1 . . . . . 100 Gly H . 16808 1 497 . 1 . 1 50 50 GLY HA2 H 1 4.082 0.03 . 2 . . . . . 100 Gly HA2 . 16808 1 498 . 1 . 1 50 50 GLY HA3 H 1 3.834 0.03 . 2 . . . . . 100 Gly HA3 . 16808 1 499 . 1 . 1 50 50 GLY C C 13 176.710 0.30 . 1 . . . . . 100 Gly C . 16808 1 500 . 1 . 1 50 50 GLY CA C 13 47.553 0.30 . 1 . . . . . 100 Gly CA . 16808 1 501 . 1 . 1 50 50 GLY N N 15 105.389 0.30 . 1 . . . . . 100 Gly N . 16808 1 502 . 1 . 1 51 51 LEU H H 1 8.048 0.03 . 1 . . . . . 101 Leu H . 16808 1 503 . 1 . 1 51 51 LEU HA H 1 4.179 0.03 . 1 . . . . . 101 Leu HA . 16808 1 504 . 1 . 1 51 51 LEU HB2 H 1 1.338 0.03 . 2 . . . . . 101 Leu HB2 . 16808 1 505 . 1 . 1 51 51 LEU HB3 H 1 1.887 0.03 . 2 . . . . . 101 Leu HB3 . 16808 1 506 . 1 . 1 51 51 LEU HD11 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1 507 . 1 . 1 51 51 LEU HD12 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1 508 . 1 . 1 51 51 LEU HD13 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1 509 . 1 . 1 51 51 LEU HD21 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1 510 . 1 . 1 51 51 LEU HD22 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1 511 . 1 . 1 51 51 LEU HD23 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1 512 . 1 . 1 51 51 LEU HG H 1 1.570 0.03 . 1 . . . . . 101 Leu HG . 16808 1 513 . 1 . 1 51 51 LEU C C 13 179.803 0.30 . 1 . . . . . 101 Leu C . 16808 1 514 . 1 . 1 51 51 LEU CA C 13 57.855 0.30 . 1 . . . . . 101 Leu CA . 16808 1 515 . 1 . 1 51 51 LEU CB C 13 43.110 0.30 . 1 . . . . . 101 Leu CB . 16808 1 516 . 1 . 1 51 51 LEU CD1 C 13 25.800 0.30 . 1 . . . . . 101 Leu CD1 . 16808 1 517 . 1 . 1 51 51 LEU CD2 C 13 23.892 0.30 . 1 . . . . . 101 Leu CD2 . 16808 1 518 . 1 . 1 51 51 LEU CG C 13 27.323 0.30 . 1 . . . . . 101 Leu CG . 16808 1 519 . 1 . 1 51 51 LEU N N 15 122.711 0.30 . 1 . . . . . 101 Leu N . 16808 1 520 . 1 . 1 52 52 VAL H H 1 8.546 0.03 . 1 . . . . . 102 Val H . 16808 1 521 . 1 . 1 52 52 VAL HA H 1 3.490 0.03 . 1 . . . . . 102 Val HA . 16808 1 522 . 1 . 1 52 52 VAL HB H 1 2.165 0.03 . 1 . . . . . 102 Val HB . 16808 1 523 . 1 . 1 52 52 VAL HG11 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1 524 . 1 . 1 52 52 VAL HG12 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1 525 . 1 . 1 52 52 VAL HG13 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1 526 . 1 . 1 52 52 VAL HG21 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1 527 . 1 . 1 52 52 VAL HG22 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1 528 . 1 . 1 52 52 VAL HG23 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1 529 . 1 . 1 52 52 VAL C C 13 177.963 0.30 . 1 . . . . . 102 Val C . 16808 1 530 . 1 . 1 52 52 VAL CA C 13 67.503 0.30 . 1 . . . . . 102 Val CA . 16808 1 531 . 1 . 1 52 52 VAL CB C 13 31.039 0.30 . 1 . . . . . 102 Val CB . 16808 1 532 . 1 . 1 52 52 VAL CG1 C 13 23.550 0.30 . 1 . . . . . 102 Val CG1 . 16808 1 533 . 1 . 1 52 52 VAL CG2 C 13 24.648 0.30 . 1 . . . . . 102 Val CG2 . 16808 1 534 . 1 . 1 52 52 VAL N N 15 119.604 0.30 . 1 . . . . . 102 Val N . 16808 1 535 . 1 . 1 53 53 ARG H H 1 8.209 0.03 . 1 . . . . . 103 Arg H . 16808 1 536 . 1 . 1 53 53 ARG HA H 1 3.942 0.03 . 1 . . . . . 103 Arg HA . 16808 1 537 . 1 . 1 53 53 ARG HB2 H 1 2.041 0.03 . 2 . . . . . 103 Arg HB2 . 16808 1 538 . 1 . 1 53 53 ARG HB3 H 1 1.961 0.03 . 2 . . . . . 103 Arg HB3 . 16808 1 539 . 1 . 1 53 53 ARG HD2 H 1 3.182 0.03 . 2 . . . . . 103 Arg HD2 . 16808 1 540 . 1 . 1 53 53 ARG HD3 H 1 3.182 0.03 . 2 . . . . . 103 Arg HD3 . 16808 1 541 . 1 . 1 53 53 ARG HG2 H 1 1.962 0.03 . 2 . . . . . 103 Arg HG2 . 16808 1 542 . 1 . 1 53 53 ARG HG3 H 1 1.635 0.03 . 2 . . . . . 103 Arg HG3 . 16808 1 543 . 1 . 1 53 53 ARG C C 13 179.445 0.30 . 1 . . . . . 103 Arg C . 16808 1 544 . 1 . 1 53 53 ARG CA C 13 60.449 0.30 . 1 . . . . . 103 Arg CA . 16808 1 545 . 1 . 1 53 53 ARG CB C 13 29.944 0.30 . 1 . . . . . 103 Arg CB . 16808 1 546 . 1 . 1 53 53 ARG CD C 13 43.522 0.30 . 1 . . . . . 103 Arg CD . 16808 1 547 . 1 . 1 53 53 ARG CG C 13 28.825 0.30 . 1 . . . . . 103 Arg CG . 16808 1 548 . 1 . 1 53 53 ARG N N 15 119.128 0.30 . 1 . . . . . 103 Arg N . 16808 1 549 . 1 . 1 54 54 GLU H H 1 7.900 0.03 . 1 . . . . . 104 Glu H . 16808 1 550 . 1 . 1 54 54 GLU HA H 1 4.127 0.03 . 1 . . . . . 104 Glu HA . 16808 1 551 . 1 . 1 54 54 GLU HB2 H 1 2.273 0.03 . 2 . . . . . 104 Glu HB2 . 16808 1 552 . 1 . 1 54 54 GLU HB3 H 1 2.079 0.03 . 2 . . . . . 104 Glu HB3 . 16808 1 553 . 1 . 1 54 54 GLU HG2 H 1 2.494 0.03 . 2 . . . . . 104 Glu HG2 . 16808 1 554 . 1 . 1 54 54 GLU HG3 H 1 2.237 0.03 . 2 . . . . . 104 Glu HG3 . 16808 1 555 . 1 . 1 54 54 GLU C C 13 179.392 0.30 . 1 . . . . . 104 Glu C . 16808 1 556 . 1 . 1 54 54 GLU CA C 13 59.769 0.30 . 1 . . . . . 104 Glu CA . 16808 1 557 . 1 . 1 54 54 GLU CB C 13 29.400 0.30 . 1 . . . . . 104 Glu CB . 16808 1 558 . 1 . 1 54 54 GLU CG C 13 36.500 0.30 . 1 . . . . . 104 Glu CG . 16808 1 559 . 1 . 1 54 54 GLU N N 15 120.156 0.30 . 1 . . . . . 104 Glu N . 16808 1 560 . 1 . 1 55 55 CYS H H 1 8.046 0.03 . 1 . . . . . 105 Cys H . 16808 1 561 . 1 . 1 55 55 CYS HA H 1 3.861 0.03 . 1 . . . . . 105 Cys HA . 16808 1 562 . 1 . 1 55 55 CYS HB2 H 1 2.735 0.03 . 2 . . . . . 105 Cys HB2 . 16808 1 563 . 1 . 1 55 55 CYS HB3 H 1 2.056 0.03 . 2 . . . . . 105 Cys HB3 . 16808 1 564 . 1 . 1 55 55 CYS C C 13 177.083 0.30 . 1 . . . . . 105 Cys C . 16808 1 565 . 1 . 1 55 55 CYS CA C 13 63.878 0.30 . 1 . . . . . 105 Cys CA . 16808 1 566 . 1 . 1 55 55 CYS CB C 13 26.198 0.30 . 1 . . . . . 105 Cys CB . 16808 1 567 . 1 . 1 55 55 CYS N N 15 118.959 0.30 . 1 . . . . . 105 Cys N . 16808 1 568 . 1 . 1 56 56 LEU H H 1 8.141 0.03 . 1 . . . . . 106 Leu H . 16808 1 569 . 1 . 1 56 56 LEU HA H 1 3.891 0.03 . 1 . . . . . 106 Leu HA . 16808 1 570 . 1 . 1 56 56 LEU HB2 H 1 1.725 0.03 . 2 . . . . . 106 Leu HB2 . 16808 1 571 . 1 . 1 56 56 LEU HB3 H 1 1.589 0.03 . 2 . . . . . 106 Leu HB3 . 16808 1 572 . 1 . 1 56 56 LEU HD11 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1 573 . 1 . 1 56 56 LEU HD12 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1 574 . 1 . 1 56 56 LEU HD13 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1 575 . 1 . 1 56 56 LEU HD21 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1 576 . 1 . 1 56 56 LEU HD22 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1 577 . 1 . 1 56 56 LEU HD23 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1 578 . 1 . 1 56 56 LEU HG H 1 1.602 0.03 . 1 . . . . . 106 Leu HG . 16808 1 579 . 1 . 1 56 56 LEU C C 13 178.124 0.30 . 1 . . . . . 106 Leu C . 16808 1 580 . 1 . 1 56 56 LEU CA C 13 57.851 0.30 . 1 . . . . . 106 Leu CA . 16808 1 581 . 1 . 1 56 56 LEU CB C 13 42.194 0.30 . 1 . . . . . 106 Leu CB . 16808 1 582 . 1 . 1 56 56 LEU CD1 C 13 25.097 0.30 . 2 . . . . . 106 Leu CD1 . 16808 1 583 . 1 . 1 56 56 LEU CD2 C 13 25.036 0.30 . 2 . . . . . 106 Leu CD2 . 16808 1 584 . 1 . 1 56 56 LEU CG C 13 27.382 0.30 . 1 . . . . . 106 Leu CG . 16808 1 585 . 1 . 1 56 56 LEU N N 15 121.249 0.30 . 1 . . . . . 106 Leu N . 16808 1 586 . 1 . 1 57 57 ALA H H 1 7.902 0.03 . 1 . . . . . 107 Ala H . 16808 1 587 . 1 . 1 57 57 ALA HA H 1 4.176 0.03 . 1 . . . . . 107 Ala HA . 16808 1 588 . 1 . 1 57 57 ALA HB1 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1 589 . 1 . 1 57 57 ALA HB2 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1 590 . 1 . 1 57 57 ALA HB3 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1 591 . 1 . 1 57 57 ALA C C 13 179.923 0.30 . 1 . . . . . 107 Ala C . 16808 1 592 . 1 . 1 57 57 ALA CA C 13 54.682 0.30 . 1 . . . . . 107 Ala CA . 16808 1 593 . 1 . 1 57 57 ALA CB C 13 18.352 0.30 . 1 . . . . . 107 Ala CB . 16808 1 594 . 1 . 1 57 57 ALA N N 15 121.546 0.30 . 1 . . . . . 107 Ala N . 16808 1 595 . 1 . 1 58 58 GLU H H 1 7.912 0.03 . 1 . . . . . 108 Glu H . 16808 1 596 . 1 . 1 58 58 GLU HA H 1 4.125 0.03 . 1 . . . . . 108 Glu HA . 16808 1 597 . 1 . 1 58 58 GLU HB2 H 1 2.121 0.03 . 2 . . . . . 108 Glu HB2 . 16808 1 598 . 1 . 1 58 58 GLU HB3 H 1 2.121 0.03 . 2 . . . . . 108 Glu HB3 . 16808 1 599 . 1 . 1 58 58 GLU HG2 H 1 2.367 0.03 . 2 . . . . . 108 Glu HG2 . 16808 1 600 . 1 . 1 58 58 GLU HG3 H 1 2.285 0.03 . 2 . . . . . 108 Glu HG3 . 16808 1 601 . 1 . 1 58 58 GLU C C 13 177.980 0.30 . 1 . . . . . 108 Glu C . 16808 1 602 . 1 . 1 58 58 GLU CA C 13 58.807 0.30 . 1 . . . . . 108 Glu CA . 16808 1 603 . 1 . 1 58 58 GLU CB C 13 29.810 0.30 . 1 . . . . . 108 Glu CB . 16808 1 604 . 1 . 1 58 58 GLU CG C 13 36.350 0.30 . 1 . . . . . 108 Glu CG . 16808 1 605 . 1 . 1 58 58 GLU N N 15 118.223 0.30 . 1 . . . . . 108 Glu N . 16808 1 606 . 1 . 1 59 59 THR H H 1 7.965 0.03 . 1 . . . . . 109 Thr H . 16808 1 607 . 1 . 1 59 59 THR HA H 1 4.179 0.03 . 1 . . . . . 109 Thr HA . 16808 1 608 . 1 . 1 59 59 THR HB H 1 4.325 0.03 . 1 . . . . . 109 Thr HB . 16808 1 609 . 1 . 1 59 59 THR HG21 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1 610 . 1 . 1 59 59 THR HG22 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1 611 . 1 . 1 59 59 THR HG23 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1 612 . 1 . 1 59 59 THR C C 13 176.030 0.30 . 1 . . . . . 109 Thr C . 16808 1 613 . 1 . 1 59 59 THR CA C 13 65.258 0.30 . 1 . . . . . 109 Thr CA . 16808 1 614 . 1 . 1 59 59 THR CB C 13 69.593 0.30 . 1 . . . . . 109 Thr CB . 16808 1 615 . 1 . 1 59 59 THR CG2 C 13 21.968 0.30 . 1 . . . . . 109 Thr CG2 . 16808 1 616 . 1 . 1 59 59 THR N N 15 114.417 0.30 . 1 . . . . . 109 Thr N . 16808 1 617 . 1 . 1 60 60 GLU H H 1 8.174 0.03 . 1 . . . . . 110 Glu H . 16808 1 618 . 1 . 1 60 60 GLU HA H 1 4.177 0.03 . 1 . . . . . 110 Glu HA . 16808 1 619 . 1 . 1 60 60 GLU HB2 H 1 2.075 0.03 . 2 . . . . . 110 Glu HB2 . 16808 1 620 . 1 . 1 60 60 GLU HB3 H 1 2.075 0.03 . 2 . . . . . 110 Glu HB3 . 16808 1 621 . 1 . 1 60 60 GLU HG2 H 1 2.377 0.03 . 2 . . . . . 110 Glu HG2 . 16808 1 622 . 1 . 1 60 60 GLU HG3 H 1 2.237 0.03 . 2 . . . . . 110 Glu HG3 . 16808 1 623 . 1 . 1 60 60 GLU C C 13 177.767 0.30 . 1 . . . . . 110 Glu C . 16808 1 624 . 1 . 1 60 60 GLU CA C 13 58.420 0.30 . 1 . . . . . 110 Glu CA . 16808 1 625 . 1 . 1 60 60 GLU CB C 13 29.824 0.30 . 1 . . . . . 110 Glu CB . 16808 1 626 . 1 . 1 60 60 GLU CG C 13 36.480 0.30 . 1 . . . . . 110 Glu CG . 16808 1 627 . 1 . 1 60 60 GLU N N 15 121.832 0.30 . 1 . . . . . 110 Glu N . 16808 1 628 . 1 . 1 61 61 ARG H H 1 8.004 0.03 . 1 . . . . . 111 Arg H . 16808 1 629 . 1 . 1 61 61 ARG HA H 1 4.177 0.03 . 1 . . . . . 111 Arg HA . 16808 1 630 . 1 . 1 61 61 ARG HB2 H 1 1.880 0.03 . 2 . . . . . 111 Arg HB2 . 16808 1 631 . 1 . 1 61 61 ARG HB3 H 1 1.880 0.03 . 2 . . . . . 111 Arg HB3 . 16808 1 632 . 1 . 1 61 61 ARG HD2 H 1 3.193 0.03 . 2 . . . . . 111 Arg HD2 . 16808 1 633 . 1 . 1 61 61 ARG HD3 H 1 3.193 0.03 . 2 . . . . . 111 Arg HD3 . 16808 1 634 . 1 . 1 61 61 ARG HG2 H 1 1.716 0.03 . 2 . . . . . 111 Arg HG2 . 16808 1 635 . 1 . 1 61 61 ARG HG3 H 1 1.628 0.03 . 2 . . . . . 111 Arg HG3 . 16808 1 636 . 1 . 1 61 61 ARG C C 13 177.374 0.30 . 1 . . . . . 111 Arg C . 16808 1 637 . 1 . 1 61 61 ARG CA C 13 57.932 0.30 . 1 . . . . . 111 Arg CA . 16808 1 638 . 1 . 1 61 61 ARG CB C 13 30.343 0.30 . 1 . . . . . 111 Arg CB . 16808 1 639 . 1 . 1 61 61 ARG CD C 13 43.496 0.30 . 1 . . . . . 111 Arg CD . 16808 1 640 . 1 . 1 61 61 ARG CG C 13 27.463 0.30 . 1 . . . . . 111 Arg CG . 16808 1 641 . 1 . 1 61 61 ARG N N 15 119.807 0.30 . 1 . . . . . 111 Arg N . 16808 1 642 . 1 . 1 62 62 ASN H H 1 8.180 0.03 . 1 . . . . . 112 Asn H . 16808 1 643 . 1 . 1 62 62 ASN HA H 1 4.676 0.03 . 1 . . . . . 112 Asn HA . 16808 1 644 . 1 . 1 62 62 ASN HB2 H 1 2.886 0.03 . 2 . . . . . 112 Asn HB2 . 16808 1 645 . 1 . 1 62 62 ASN HB3 H 1 2.791 0.03 . 2 . . . . . 112 Asn HB3 . 16808 1 646 . 1 . 1 62 62 ASN HD21 H 1 7.653 0.03 . 2 . . . . . 112 Asn HD21 . 16808 1 647 . 1 . 1 62 62 ASN HD22 H 1 7.006 0.03 . 2 . . . . . 112 Asn HD22 . 16808 1 648 . 1 . 1 62 62 ASN C C 13 175.247 0.30 . 1 . . . . . 112 Asn C . 16808 1 649 . 1 . 1 62 62 ASN CA C 13 53.840 0.30 . 1 . . . . . 112 Asn CA . 16808 1 650 . 1 . 1 62 62 ASN CB C 13 38.951 0.30 . 1 . . . . . 112 Asn CB . 16808 1 651 . 1 . 1 62 62 ASN N N 15 118.020 0.30 . 1 . . . . . 112 Asn N . 16808 1 652 . 1 . 1 62 62 ASN ND2 N 15 112.959 0.30 . 1 . . . . . 112 Asn ND2 . 16808 1 653 . 1 . 1 63 63 ALA H H 1 7.965 0.03 . 1 . . . . . 113 Ala H . 16808 1 654 . 1 . 1 63 63 ALA HA H 1 4.316 0.03 . 1 . . . . . 113 Ala HA . 16808 1 655 . 1 . 1 63 63 ALA HB1 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1 656 . 1 . 1 63 63 ALA HB2 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1 657 . 1 . 1 63 63 ALA HB3 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1 658 . 1 . 1 63 63 ALA C C 13 177.621 0.30 . 1 . . . . . 113 Ala C . 16808 1 659 . 1 . 1 63 63 ALA CA C 13 53.018 0.30 . 1 . . . . . 113 Ala CA . 16808 1 660 . 1 . 1 63 63 ALA CB C 13 19.092 0.30 . 1 . . . . . 113 Ala CB . 16808 1 661 . 1 . 1 63 63 ALA N N 15 123.279 0.30 . 1 . . . . . 113 Ala N . 16808 1 662 . 1 . 1 64 64 ARG H H 1 8.087 0.03 . 1 . . . . . 114 Arg H . 16808 1 663 . 1 . 1 64 64 ARG HA H 1 4.424 0.03 . 1 . . . . . 114 Arg HA . 16808 1 664 . 1 . 1 64 64 ARG HB2 H 1 1.948 0.03 . 2 . . . . . 114 Arg HB2 . 16808 1 665 . 1 . 1 64 64 ARG HB3 H 1 1.809 0.03 . 2 . . . . . 114 Arg HB3 . 16808 1 666 . 1 . 1 64 64 ARG HD2 H 1 3.210 0.03 . 2 . . . . . 114 Arg HD2 . 16808 1 667 . 1 . 1 64 64 ARG HD3 H 1 3.210 0.03 . 2 . . . . . 114 Arg HD3 . 16808 1 668 . 1 . 1 64 64 ARG HG2 H 1 1.713 0.03 . 2 . . . . . 114 Arg HG2 . 16808 1 669 . 1 . 1 64 64 ARG HG3 H 1 1.684 0.03 . 2 . . . . . 114 Arg HG3 . 16808 1 670 . 1 . 1 64 64 ARG C C 13 175.610 0.30 . 1 . . . . . 114 Arg C . 16808 1 671 . 1 . 1 64 64 ARG CA C 13 56.094 0.30 . 1 . . . . . 114 Arg CA . 16808 1 672 . 1 . 1 64 64 ARG CB C 13 30.945 0.30 . 1 . . . . . 114 Arg CB . 16808 1 673 . 1 . 1 64 64 ARG CD C 13 43.487 0.30 . 1 . . . . . 114 Arg CD . 16808 1 674 . 1 . 1 64 64 ARG CG C 13 27.166 0.30 . 1 . . . . . 114 Arg CG . 16808 1 675 . 1 . 1 64 64 ARG N N 15 119.565 0.30 . 1 . . . . . 114 Arg N . 16808 1 676 . 1 . 1 65 65 SER H H 1 7.933 0.03 . 1 . . . . . 115 Ser H . 16808 1 677 . 1 . 1 65 65 SER HA H 1 4.282 0.03 . 1 . . . . . 115 Ser HA . 16808 1 678 . 1 . 1 65 65 SER HB2 H 1 3.877 0.03 . 2 . . . . . 115 Ser HB2 . 16808 1 679 . 1 . 1 65 65 SER HB3 H 1 3.877 0.03 . 2 . . . . . 115 Ser HB3 . 16808 1 680 . 1 . 1 65 65 SER C C 13 175.512 0.30 . 1 . . . . . 115 Ser C . 16808 1 681 . 1 . 1 65 65 SER CA C 13 60.195 0.30 . 1 . . . . . 115 Ser CA . 16808 1 682 . 1 . 1 65 65 SER CB C 13 64.872 0.30 . 1 . . . . . 115 Ser CB . 16808 1 683 . 1 . 1 65 65 SER N N 15 122.348 0.30 . 1 . . . . . 115 Ser N . 16808 1 stop_ save_