################################### # 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 15094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.07 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.39 _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 5 '3D CBCA(CO)NH' . . . 15094 1 8 '2D CACO' . . . 15094 1 9 '2D CON' . . . 15094 1 10 '2D CBCACO' . . . 15094 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 $CARA . . 15094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.01 0.07 . 1 . . . . 1 MET HA . 15094 1 2 . 1 1 1 1 MET C C 13 173.17 0.16 . 1 . . . . 1 MET C . 15094 1 3 . 1 1 1 1 MET CA C 13 55.08 0.11 . 1 . . . . 1 MET CA . 15094 1 4 . 1 1 1 1 MET CB C 13 33.37 0.17 . 1 . . . . 1 MET CB . 15094 1 5 . 1 1 1 1 MET CG C 13 31.03 0.17 . 1 . . . . 1 MET CG . 15094 1 6 . 1 1 2 2 LEU HA H 1 4.32 0.07 . 1 . . . . 2 LEU HA . 15094 1 7 . 1 1 2 2 LEU C C 13 176.54 0.16 . 1 . . . . 2 LEU C . 15094 1 8 . 1 1 2 2 LEU CA C 13 55.29 0.11 . 1 . . . . 2 LEU CA . 15094 1 9 . 1 1 2 2 LEU CB C 13 42.21 0.17 . 1 . . . . 2 LEU CB . 15094 1 10 . 1 1 2 2 LEU CG C 13 26.93 0.17 . 1 . . . . 2 LEU CG . 15094 1 11 . 1 1 2 2 LEU CD1 C 13 24.71 0.17 . 2 . . . . 2 LEU CD1 . 15094 1 12 . 1 1 2 2 LEU CD2 C 13 23.65 0.17 . 2 . . . . 2 LEU CD2 . 15094 1 13 . 1 1 2 2 LEU N N 15 125.46 0.39 . 1 . . . . 2 LEU N . 15094 1 14 . 1 1 3 3 ASP H H 1 8.44 0.07 . 1 . . . . 3 ASP H . 15094 1 15 . 1 1 3 3 ASP HA H 1 4.57 0.07 . 1 . . . . 3 ASP HA . 15094 1 16 . 1 1 3 3 ASP HB2 H 1 2.69 0.07 . 2 . . . . 3 ASP HB2 . 15094 1 17 . 1 1 3 3 ASP HB3 H 1 2.53 0.07 . 2 . . . . 3 ASP HB3 . 15094 1 18 . 1 1 3 3 ASP C C 13 176.31 0.16 . 1 . . . . 3 ASP C . 15094 1 19 . 1 1 3 3 ASP CA C 13 53.97 0.11 . 1 . . . . 3 ASP CA . 15094 1 20 . 1 1 3 3 ASP CB C 13 41.19 0.17 . 1 . . . . 3 ASP CB . 15094 1 21 . 1 1 3 3 ASP CG C 13 180.35 0.16 . 1 . . . . 3 ASP CG . 15094 1 22 . 1 1 3 3 ASP N N 15 122.85 0.39 . 1 . . . . 3 ASP N . 15094 1 23 . 1 1 4 4 GLU H H 1 8.5 0.07 . 1 . . . . 4 GLU H . 15094 1 24 . 1 1 4 4 GLU HA H 1 4.2 0.07 . 1 . . . . 4 GLU HA . 15094 1 25 . 1 1 4 4 GLU HB2 H 1 2.24 0.07 . 2 . . . . 4 GLU HB2 . 15094 1 26 . 1 1 4 4 GLU HB3 H 1 2.02 0.07 . 2 . . . . 4 GLU HB3 . 15094 1 27 . 1 1 4 4 GLU C C 13 176.95 0.16 . 1 . . . . 4 GLU C . 15094 1 28 . 1 1 4 4 GLU CA C 13 57.01 0.11 . 1 . . . . 4 GLU CA . 15094 1 29 . 1 1 4 4 GLU CB C 13 30.17 0.17 . 1 . . . . 4 GLU CB . 15094 1 30 . 1 1 4 4 GLU CG C 13 36.35 0.17 . 1 . . . . 4 GLU CG . 15094 1 31 . 1 1 4 4 GLU CD C 13 183.98 0.16 . 1 . . . . 4 GLU CD . 15094 1 32 . 1 1 4 4 GLU N N 15 123.08 0.39 . 1 . . . . 4 GLU N . 15094 1 33 . 1 1 5 5 LYS H H 1 8.39 0.07 . 1 . . . . 5 LYS H . 15094 1 34 . 1 1 5 5 LYS HA H 1 4.28 0.07 . 1 . . . . 5 LYS HA . 15094 1 35 . 1 1 5 5 LYS HB2 H 1 1.82 0.07 . 2 . . . . 5 LYS HB2 . 15094 1 36 . 1 1 5 5 LYS HB3 H 1 1.78 0.07 . 2 . . . . 5 LYS HB3 . 15094 1 37 . 1 1 5 5 LYS HG2 H 1 1.41 0.07 . 2 . . . . 5 LYS HG2 . 15094 1 38 . 1 1 5 5 LYS C C 13 177.12 0.16 . 1 . . . . 5 LYS C . 15094 1 39 . 1 1 5 5 LYS CA C 13 56.48 0.11 . 1 . . . . 5 LYS CA . 15094 1 40 . 1 1 5 5 LYS CB C 13 32.55 0.17 . 1 . . . . 5 LYS CB . 15094 1 41 . 1 1 5 5 LYS CG C 13 24.76 0.17 . 1 . . . . 5 LYS CG . 15094 1 42 . 1 1 5 5 LYS CD C 13 29.08 0.17 . 1 . . . . 5 LYS CD . 15094 1 43 . 1 1 5 5 LYS CE C 13 41.98 0.17 . 1 . . . . 5 LYS CE . 15094 1 44 . 1 1 5 5 LYS N N 15 122.21 0.39 . 1 . . . . 5 LYS N . 15094 1 45 . 1 1 6 6 SER H H 1 8.2 0.07 . 1 . . . . 6 SER H . 15094 1 46 . 1 1 6 6 SER HA H 1 4.42 0.07 . 1 . . . . 6 SER HA . 15094 1 47 . 1 1 6 6 SER HB2 H 1 3.87 0.07 . 2 . . . . 6 SER HB2 . 15094 1 48 . 1 1 6 6 SER HB3 H 1 4.42 0.07 . 2 . . . . 6 SER HB3 . 15094 1 49 . 1 1 6 6 SER C C 13 174.8 0.16 . 1 . . . . 6 SER C . 15094 1 50 . 1 1 6 6 SER CA C 13 58.49 0.11 . 1 . . . . 6 SER CA . 15094 1 51 . 1 1 6 6 SER CB C 13 63.83 0.17 . 1 . . . . 6 SER CB . 15094 1 52 . 1 1 6 6 SER N N 15 117.03 0.39 . 1 . . . . 6 SER N . 15094 1 53 . 1 1 7 7 SER H H 1 8.29 0.07 . 1 . . . . 7 SER H . 15094 1 54 . 1 1 7 7 SER HA H 1 4.44 0.07 . 1 . . . . 7 SER HA . 15094 1 55 . 1 1 7 7 SER HB2 H 1 3.84 0.07 . 2 . . . . 7 SER HB2 . 15094 1 56 . 1 1 7 7 SER HB3 H 1 4.12 0.07 . 2 . . . . 7 SER HB3 . 15094 1 57 . 1 1 7 7 SER C C 13 174.44 0.16 . 1 . . . . 7 SER C . 15094 1 58 . 1 1 7 7 SER CA C 13 58.43 0.11 . 1 . . . . 7 SER CA . 15094 1 59 . 1 1 7 7 SER CB C 13 63.77 0.17 . 1 . . . . 7 SER CB . 15094 1 60 . 1 1 7 7 SER N N 15 118.34 0.39 . 1 . . . . 7 SER N . 15094 1 61 . 1 1 8 8 ASN H H 1 8.36 0.07 . 1 . . . . 8 ASN H . 15094 1 62 . 1 1 8 8 ASN HA H 1 4.61 0.07 . 1 . . . . 8 ASN HA . 15094 1 63 . 1 1 8 8 ASN HB2 H 1 2.64 0.07 . 2 . . . . 8 ASN HB2 . 15094 1 64 . 1 1 8 8 ASN HD21 H 1 6.91 0.07 . 2 . . . . 8 ASN HD21 . 15094 1 65 . 1 1 8 8 ASN HD22 H 1 7.59 0.07 . 2 . . . . 8 ASN HD22 . 15094 1 66 . 1 1 8 8 ASN C C 13 175.51 0.16 . 1 . . . . 8 ASN C . 15094 1 67 . 1 1 8 8 ASN CA C 13 53.47 0.11 . 1 . . . . 8 ASN CA . 15094 1 68 . 1 1 8 8 ASN CB C 13 39.12 0.17 . 1 . . . . 8 ASN CB . 15094 1 69 . 1 1 8 8 ASN CG C 13 176.58 0.16 . 1 . . . . 8 ASN CG . 15094 1 70 . 1 1 8 8 ASN N N 15 121.58 0.39 . 1 . . . . 8 ASN N . 15094 1 71 . 1 1 8 8 ASN ND2 N 15 112.98 0.39 . 1 . . . . 8 ASN ND2 . 15094 1 72 . 1 1 9 9 THR H H 1 8.12 0.07 . 1 . . . . 9 THR H . 15094 1 73 . 1 1 9 9 THR HA H 1 4.26 0.07 . 1 . . . . 9 THR HA . 15094 1 74 . 1 1 9 9 THR HB H 1 4.32 0.07 . 1 . . . . 9 THR HB . 15094 1 75 . 1 1 9 9 THR HG21 H 1 1.12 0.07 . 1 . . . . 9 THR HG2 . 15094 1 76 . 1 1 9 9 THR HG22 H 1 1.12 0.07 . 1 . . . . 9 THR HG2 . 15094 1 77 . 1 1 9 9 THR HG23 H 1 1.12 0.07 . 1 . . . . 9 THR HG2 . 15094 1 78 . 1 1 9 9 THR C C 13 174.05 0.16 . 1 . . . . 9 THR C . 15094 1 79 . 1 1 9 9 THR CA C 13 61.54 0.11 . 1 . . . . 9 THR CA . 15094 1 80 . 1 1 9 9 THR CB C 13 69.91 0.17 . 1 . . . . 9 THR CB . 15094 1 81 . 1 1 9 9 THR CG2 C 13 21.65 0.17 . 1 . . . . 9 THR CG2 . 15094 1 82 . 1 1 9 9 THR N N 15 113.95 0.39 . 1 . . . . 9 THR N . 15094 1 83 . 1 1 10 10 ALA H H 1 8.14 0.07 . 1 . . . . 10 ALA H . 15094 1 84 . 1 1 10 10 ALA HA H 1 4.31 0.07 . 1 . . . . 10 ALA HA . 15094 1 85 . 1 1 10 10 ALA C C 13 176.79 0.16 . 1 . . . . 10 ALA C . 15094 1 86 . 1 1 10 10 ALA CA C 13 52.74 0.11 . 1 . . . . 10 ALA CA . 15094 1 87 . 1 1 10 10 ALA CB C 13 19.05 0.17 . 1 . . . . 10 ALA CB . 15094 1 88 . 1 1 10 10 ALA N N 15 126.49 0.39 . 1 . . . . 10 ALA N . 15094 1 89 . 1 1 11 11 SER H H 1 8.87 0.07 . 1 . . . . 11 SER H . 15094 1 90 . 1 1 11 11 SER HB2 H 1 3.68 0.07 . 2 . . . . 11 SER HB2 . 15094 1 91 . 1 1 11 11 SER HB3 H 1 3.72 0.07 . 2 . . . . 11 SER HB3 . 15094 1 92 . 1 1 11 11 SER C C 13 173 0.16 . 1 . . . . 11 SER C . 15094 1 93 . 1 1 11 11 SER CA C 13 58.76 0.11 . 1 . . . . 11 SER CA . 15094 1 94 . 1 1 11 11 SER CB C 13 65.43 0.17 . 1 . . . . 11 SER CB . 15094 1 95 . 1 1 11 11 SER N N 15 117.94 0.39 . 1 . . . . 11 SER N . 15094 1 96 . 1 1 12 12 VAL H H 1 8.42 0.07 . 1 . . . . 12 VAL H . 15094 1 97 . 1 1 12 12 VAL C C 13 174.56 0.16 . 1 . . . . 12 VAL C . 15094 1 98 . 1 1 12 12 VAL CA C 13 59.77 0.11 . 1 . . . . 12 VAL CA . 15094 1 99 . 1 1 12 12 VAL CB C 13 36.09 0.17 . 1 . . . . 12 VAL CB . 15094 1 100 . 1 1 12 12 VAL N N 15 113.97 0.39 . 1 . . . . 12 VAL N . 15094 1 101 . 1 1 13 13 VAL H H 1 8.77 0.07 . 1 . . . . 13 VAL H . 15094 1 102 . 1 1 13 13 VAL C C 13 174.12 0.16 . 1 . . . . 13 VAL C . 15094 1 103 . 1 1 13 13 VAL CA C 13 59.98 0.11 . 1 . . . . 13 VAL CA . 15094 1 104 . 1 1 13 13 VAL CB C 13 34.67 0.17 . 1 . . . . 13 VAL CB . 15094 1 105 . 1 1 13 13 VAL N N 15 118.01 0.39 . 1 . . . . 13 VAL N . 15094 1 106 . 1 1 14 14 VAL H H 1 9.24 0.07 . 1 . . . . 14 VAL H . 15094 1 107 . 1 1 14 14 VAL C C 13 175.24 0.16 . 1 . . . . 14 VAL C . 15094 1 108 . 1 1 14 14 VAL CA C 13 59.83 0.11 . 1 . . . . 14 VAL CA . 15094 1 109 . 1 1 14 14 VAL CB C 13 34.52 0.17 . 1 . . . . 14 VAL CB . 15094 1 110 . 1 1 14 14 VAL N N 15 125.38 0.39 . 1 . . . . 14 VAL N . 15094 1 111 . 1 1 15 15 LEU H H 1 9.16 0.07 . 1 . . . . 15 LEU H . 15094 1 112 . 1 1 15 15 LEU HA H 1 4.87 0.07 . 1 . . . . 15 LEU HA . 15094 1 113 . 1 1 15 15 LEU C C 13 175.04 0.16 . 1 . . . . 15 LEU C . 15094 1 114 . 1 1 15 15 LEU CA C 13 53.3 0.11 . 1 . . . . 15 LEU CA . 15094 1 115 . 1 1 15 15 LEU CB C 13 43.19 0.17 . 1 . . . . 15 LEU CB . 15094 1 116 . 1 1 15 15 LEU N N 15 128 0.39 . 1 . . . . 15 LEU N . 15094 1 117 . 1 1 16 16 CYS H H 1 7.74 0.07 . 1 . . . . 16 CYS H . 15094 1 118 . 1 1 16 16 CYS C C 13 172.93 0.16 . 1 . . . . 16 CYS C . 15094 1 119 . 1 1 16 16 CYS CA C 13 56.34 0.11 . 1 . . . . 16 CYS CA . 15094 1 120 . 1 1 16 16 CYS CB C 13 30.14 0.17 . 1 . . . . 16 CYS CB . 15094 1 121 . 1 1 16 16 CYS N N 15 120.36 0.39 . 1 . . . . 16 CYS N . 15094 1 122 . 1 1 17 17 THR H H 1 7.55 0.07 . 1 . . . . 17 THR H . 15094 1 123 . 1 1 17 17 THR HB H 1 3.95 0.07 . 1 . . . . 17 THR HB . 15094 1 124 . 1 1 17 17 THR C C 13 173.12 0.16 . 1 . . . . 17 THR C . 15094 1 125 . 1 1 17 17 THR CA C 13 59.64 0.11 . 1 . . . . 17 THR CA . 15094 1 126 . 1 1 17 17 THR CB C 13 71.92 0.17 . 1 . . . . 17 THR CB . 15094 1 127 . 1 1 17 17 THR N N 15 117.26 0.39 . 1 . . . . 17 THR N . 15094 1 128 . 1 1 18 18 ALA H H 1 8.61 0.07 . 1 . . . . 18 ALA H . 15094 1 129 . 1 1 18 18 ALA C C 13 175.14 0.16 . 1 . . . . 18 ALA C . 15094 1 130 . 1 1 18 18 ALA CA C 13 48.57 0.11 . 1 . . . . 18 ALA CA . 15094 1 131 . 1 1 18 18 ALA CB C 13 21.75 0.17 . 1 . . . . 18 ALA CB . 15094 1 132 . 1 1 18 18 ALA N N 15 122.93 0.39 . 1 . . . . 18 ALA N . 15094 1 133 . 1 1 19 19 PRO C C 13 174.96 0.16 . 1 . . . . 19 PRO C . 15094 1 134 . 1 1 19 19 PRO CA C 13 64.35 0.11 . 1 . . . . 19 PRO CA . 15094 1 135 . 1 1 19 19 PRO CB C 13 32.26 0.17 . 1 . . . . 19 PRO CB . 15094 1 136 . 1 1 19 19 PRO N N 15 129.89 0.39 . 1 . . . . 19 PRO N . 15094 1 137 . 1 1 20 20 ASP H H 1 6.91 0.07 . 1 . . . . 20 ASP H . 15094 1 138 . 1 1 20 20 ASP HA H 1 4.56 0.07 . 1 . . . . 20 ASP HA . 15094 1 139 . 1 1 20 20 ASP C C 13 175.5 0.16 . 1 . . . . 20 ASP C . 15094 1 140 . 1 1 20 20 ASP CA C 13 52.37 0.11 . 1 . . . . 20 ASP CA . 15094 1 141 . 1 1 20 20 ASP CB C 13 41.98 0.17 . 1 . . . . 20 ASP CB . 15094 1 142 . 1 1 20 20 ASP CG C 13 179.62 0.16 . 1 . . . . 20 ASP CG . 15094 1 143 . 1 1 20 20 ASP N N 15 109.66 0.39 . 1 . . . . 20 ASP N . 15094 1 144 . 1 1 21 21 GLU H H 1 9.28 0.07 . 1 . . . . 21 GLU H . 15094 1 145 . 1 1 21 21 GLU C C 13 177.58 0.16 . 1 . . . . 21 GLU C . 15094 1 146 . 1 1 21 21 GLU CA C 13 61.06 0.11 . 1 . . . . 21 GLU CA . 15094 1 147 . 1 1 21 21 GLU CB C 13 29.92 0.17 . 1 . . . . 21 GLU CB . 15094 1 148 . 1 1 21 21 GLU CG C 13 38.34 0.17 . 1 . . . . 21 GLU CG . 15094 1 149 . 1 1 21 21 GLU CD C 13 182.97 0.16 . 1 . . . . 21 GLU CD . 15094 1 150 . 1 1 21 21 GLU N N 15 121.72 0.39 . 1 . . . . 21 GLU N . 15094 1 151 . 1 1 22 22 ALA H H 1 8.48 0.07 . 1 . . . . 22 ALA H . 15094 1 152 . 1 1 22 22 ALA HB1 H 1 0.66 0.07 . 1 . . . . 22 ALA HB . 15094 1 153 . 1 1 22 22 ALA HB2 H 1 0.66 0.07 . 1 . . . . 22 ALA HB . 15094 1 154 . 1 1 22 22 ALA HB3 H 1 0.66 0.07 . 1 . . . . 22 ALA HB . 15094 1 155 . 1 1 22 22 ALA C C 13 180.92 0.16 . 1 . . . . 22 ALA C . 15094 1 156 . 1 1 22 22 ALA CA C 13 55.33 0.11 . 1 . . . . 22 ALA CA . 15094 1 157 . 1 1 22 22 ALA CB C 13 17.67 0.17 . 1 . . . . 22 ALA CB . 15094 1 158 . 1 1 22 22 ALA N N 15 123.81 0.39 . 1 . . . . 22 ALA N . 15094 1 159 . 1 1 23 23 THR H H 1 8.74 0.07 . 1 . . . . 23 THR H . 15094 1 160 . 1 1 23 23 THR HA H 1 3.82 0.07 . 1 . . . . 23 THR HA . 15094 1 161 . 1 1 23 23 THR HB H 1 3.73 0.07 . 1 . . . . 23 THR HB . 15094 1 162 . 1 1 23 23 THR C C 13 176.21 0.16 . 1 . . . . 23 THR C . 15094 1 163 . 1 1 23 23 THR CA C 13 66.43 0.11 . 1 . . . . 23 THR CA . 15094 1 164 . 1 1 23 23 THR CB C 13 67.77 0.17 . 1 . . . . 23 THR CB . 15094 1 165 . 1 1 23 23 THR N N 15 116.68 0.39 . 1 . . . . 23 THR N . 15094 1 166 . 1 1 24 24 ALA H H 1 8.02 0.07 . 1 . . . . 24 ALA H . 15094 1 167 . 1 1 24 24 ALA HA H 1 3.79 0.07 . 1 . . . . 24 ALA HA . 15094 1 168 . 1 1 24 24 ALA C C 13 178.61 0.16 . 1 . . . . 24 ALA C . 15094 1 169 . 1 1 24 24 ALA CA C 13 55.49 0.11 . 1 . . . . 24 ALA CA . 15094 1 170 . 1 1 24 24 ALA CB C 13 19.35 0.17 . 1 . . . . 24 ALA CB . 15094 1 171 . 1 1 24 24 ALA N N 15 124.01 0.39 . 1 . . . . 24 ALA N . 15094 1 172 . 1 1 25 25 GLN H H 1 8.49 0.07 . 1 . . . . 25 GLN H . 15094 1 173 . 1 1 25 25 GLN HA H 1 3.58 0.07 . 1 . . . . 25 GLN HA . 15094 1 174 . 1 1 25 25 GLN HE21 H 1 6.64 0.07 . 2 . . . . 25 GLN HE21 . 15094 1 175 . 1 1 25 25 GLN HE22 H 1 7.35 0.07 . 2 . . . . 25 GLN HE22 . 15094 1 176 . 1 1 25 25 GLN C C 13 177.76 0.16 . 1 . . . . 25 GLN C . 15094 1 177 . 1 1 25 25 GLN CA C 13 59.74 0.11 . 1 . . . . 25 GLN CA . 15094 1 178 . 1 1 25 25 GLN CB C 13 27.43 0.17 . 1 . . . . 25 GLN CB . 15094 1 179 . 1 1 25 25 GLN CG C 13 34.18 0.17 . 1 . . . . 25 GLN CG . 15094 1 180 . 1 1 25 25 GLN CD C 13 179.19 0.16 . 1 . . . . 25 GLN CD . 15094 1 181 . 1 1 25 25 GLN N N 15 116.97 0.39 . 1 . . . . 25 GLN N . 15094 1 182 . 1 1 25 25 GLN NE2 N 15 110.32 0.39 . 1 . . . . 25 GLN NE2 . 15094 1 183 . 1 1 26 26 ASP H H 1 7.88 0.07 . 1 . . . . 26 ASP H . 15094 1 184 . 1 1 26 26 ASP C C 13 178.91 0.16 . 1 . . . . 26 ASP C . 15094 1 185 . 1 1 26 26 ASP CA C 13 57.5 0.11 . 1 . . . . 26 ASP CA . 15094 1 186 . 1 1 26 26 ASP CB C 13 41.45 0.17 . 1 . . . . 26 ASP CB . 15094 1 187 . 1 1 26 26 ASP CG C 13 179.22 0.16 . 1 . . . . 26 ASP CG . 15094 1 188 . 1 1 26 26 ASP N N 15 121.41 0.39 . 1 . . . . 26 ASP N . 15094 1 189 . 1 1 27 27 LEU H H 1 8.43 0.07 . 1 . . . . 27 LEU H . 15094 1 190 . 1 1 27 27 LEU C C 13 178.67 0.16 . 1 . . . . 27 LEU C . 15094 1 191 . 1 1 27 27 LEU CA C 13 57.69 0.11 . 1 . . . . 27 LEU CA . 15094 1 192 . 1 1 27 27 LEU CB C 13 42.56 0.17 . 1 . . . . 27 LEU CB . 15094 1 193 . 1 1 27 27 LEU N N 15 119.87 0.39 . 1 . . . . 27 LEU N . 15094 1 194 . 1 1 28 28 ALA H H 1 8.09 0.07 . 1 . . . . 28 ALA H . 15094 1 195 . 1 1 28 28 ALA C C 13 177.98 0.16 . 1 . . . . 28 ALA C . 15094 1 196 . 1 1 28 28 ALA CA C 13 54.57 0.11 . 1 . . . . 28 ALA CA . 15094 1 197 . 1 1 28 28 ALA CB C 13 18.83 0.17 . 1 . . . . 28 ALA CB . 15094 1 198 . 1 1 28 28 ALA N N 15 119.02 0.39 . 1 . . . . 28 ALA N . 15094 1 199 . 1 1 29 29 ALA H H 1 8.65 0.07 . 1 . . . . 29 ALA H . 15094 1 200 . 1 1 29 29 ALA C C 13 180.76 0.16 . 1 . . . . 29 ALA C . 15094 1 201 . 1 1 29 29 ALA CA C 13 55.6 0.11 . 1 . . . . 29 ALA CA . 15094 1 202 . 1 1 29 29 ALA CB C 13 17.79 0.17 . 1 . . . . 29 ALA CB . 15094 1 203 . 1 1 29 29 ALA N N 15 119.22 0.39 . 1 . . . . 29 ALA N . 15094 1 204 . 1 1 30 30 LYS H H 1 7.76 0.07 . 1 . . . . 30 LYS H . 15094 1 205 . 1 1 30 30 LYS HA H 1 4.69 0.07 . 1 . . . . 30 LYS HA . 15094 1 206 . 1 1 30 30 LYS C C 13 178.73 0.16 . 1 . . . . 30 LYS C . 15094 1 207 . 1 1 30 30 LYS CA C 13 59.06 0.11 . 1 . . . . 30 LYS CA . 15094 1 208 . 1 1 30 30 LYS CB C 13 31.8 0.17 . 1 . . . . 30 LYS CB . 15094 1 209 . 1 1 30 30 LYS N N 15 118.52 0.39 . 1 . . . . 30 LYS N . 15094 1 210 . 1 1 31 31 VAL H H 1 7.6 0.07 . 1 . . . . 31 VAL H . 15094 1 211 . 1 1 31 31 VAL HA H 1 3.92 0.07 . 1 . . . . 31 VAL HA . 15094 1 212 . 1 1 31 31 VAL C C 13 178.34 0.16 . 1 . . . . 31 VAL C . 15094 1 213 . 1 1 31 31 VAL CA C 13 64.7 0.11 . 1 . . . . 31 VAL CA . 15094 1 214 . 1 1 31 31 VAL CB C 13 30.89 0.17 . 1 . . . . 31 VAL CB . 15094 1 215 . 1 1 31 31 VAL N N 15 111.22 0.39 . 1 . . . . 31 VAL N . 15094 1 216 . 1 1 32 32 LEU H H 1 8.28 0.07 . 1 . . . . 32 LEU H . 15094 1 217 . 1 1 32 32 LEU HA H 1 5.55 0.07 . 1 . . . . 32 LEU HA . 15094 1 218 . 1 1 32 32 LEU C C 13 181.1 0.16 . 1 . . . . 32 LEU C . 15094 1 219 . 1 1 32 32 LEU CA C 13 57.36 0.11 . 1 . . . . 32 LEU CA . 15094 1 220 . 1 1 32 32 LEU CB C 13 41 0.17 . 1 . . . . 32 LEU CB . 15094 1 221 . 1 1 32 32 LEU N N 15 123.08 0.39 . 1 . . . . 32 LEU N . 15094 1 222 . 1 1 33 33 ALA H H 1 8.18 0.07 . 1 . . . . 33 ALA H . 15094 1 223 . 1 1 33 33 ALA HA H 1 4.44 0.07 . 1 . . . . 33 ALA HA . 15094 1 224 . 1 1 33 33 ALA HB1 H 1 1.34 0.07 . 1 . . . . 33 ALA HB . 15094 1 225 . 1 1 33 33 ALA HB2 H 1 1.34 0.07 . 1 . . . . 33 ALA HB . 15094 1 226 . 1 1 33 33 ALA HB3 H 1 1.34 0.07 . 1 . . . . 33 ALA HB . 15094 1 227 . 1 1 33 33 ALA C C 13 180.03 0.16 . 1 . . . . 33 ALA C . 15094 1 228 . 1 1 33 33 ALA CA C 13 55.09 0.11 . 1 . . . . 33 ALA CA . 15094 1 229 . 1 1 33 33 ALA CB C 13 17.78 0.17 . 1 . . . . 33 ALA CB . 15094 1 230 . 1 1 33 33 ALA N N 15 125.25 0.39 . 1 . . . . 33 ALA N . 15094 1 231 . 1 1 34 34 GLU H H 1 7.31 0.07 . 1 . . . . 34 GLU H . 15094 1 232 . 1 1 34 34 GLU C C 13 174.75 0.16 . 1 . . . . 34 GLU C . 15094 1 233 . 1 1 34 34 GLU CA C 13 56 0.11 . 1 . . . . 34 GLU CA . 15094 1 234 . 1 1 34 34 GLU CB C 13 30.15 0.17 . 1 . . . . 34 GLU CB . 15094 1 235 . 1 1 34 34 GLU CG C 13 36.2 0.17 . 1 . . . . 34 GLU CG . 15094 1 236 . 1 1 34 34 GLU CD C 13 183.09 0.16 . 1 . . . . 34 GLU CD . 15094 1 237 . 1 1 34 34 GLU N N 15 114.77 0.39 . 1 . . . . 34 GLU N . 15094 1 238 . 1 1 35 35 LYS H H 1 7.74 0.07 . 1 . . . . 35 LYS H . 15094 1 239 . 1 1 35 35 LYS C C 13 174.73 0.16 . 1 . . . . 35 LYS C . 15094 1 240 . 1 1 35 35 LYS CA C 13 57.54 0.11 . 1 . . . . 35 LYS CA . 15094 1 241 . 1 1 35 35 LYS CB C 13 28.94 0.17 . 1 . . . . 35 LYS CB . 15094 1 242 . 1 1 35 35 LYS N N 15 114.65 0.39 . 1 . . . . 35 LYS N . 15094 1 243 . 1 1 36 36 LEU H H 1 7.86 0.07 . 1 . . . . 36 LEU H . 15094 1 244 . 1 1 36 36 LEU C C 13 176.32 0.16 . 1 . . . . 36 LEU C . 15094 1 245 . 1 1 36 36 LEU CA C 13 54.24 0.11 . 1 . . . . 36 LEU CA . 15094 1 246 . 1 1 36 36 LEU CB C 13 44.92 0.17 . 1 . . . . 36 LEU CB . 15094 1 247 . 1 1 36 36 LEU N N 15 113.05 0.39 . 1 . . . . 36 LEU N . 15094 1 248 . 1 1 37 37 ALA H H 1 7.35 0.07 . 1 . . . . 37 ALA H . 15094 1 249 . 1 1 37 37 ALA HA H 1 4.39 0.07 . 1 . . . . 37 ALA HA . 15094 1 250 . 1 1 37 37 ALA C C 13 174.19 0.16 . 1 . . . . 37 ALA C . 15094 1 251 . 1 1 37 37 ALA CA C 13 49.91 0.11 . 1 . . . . 37 ALA CA . 15094 1 252 . 1 1 37 37 ALA CB C 13 22 0.17 . 1 . . . . 37 ALA CB . 15094 1 253 . 1 1 37 37 ALA N N 15 118.42 0.39 . 1 . . . . 37 ALA N . 15094 1 254 . 1 1 38 38 ALA H H 1 8.46 0.07 . 1 . . . . 38 ALA H . 15094 1 255 . 1 1 38 38 ALA HA H 1 4.15 0.07 . 1 . . . . 38 ALA HA . 15094 1 256 . 1 1 38 38 ALA C C 13 175.96 0.16 . 1 . . . . 38 ALA C . 15094 1 257 . 1 1 38 38 ALA CA C 13 52.73 0.11 . 1 . . . . 38 ALA CA . 15094 1 258 . 1 1 38 38 ALA CB C 13 21.77 0.17 . 1 . . . . 38 ALA CB . 15094 1 259 . 1 1 38 38 ALA N N 15 122.29 0.39 . 1 . . . . 38 ALA N . 15094 1 260 . 1 1 39 39 CYS H H 1 7.26 0.07 . 1 . . . . 39 CYS H . 15094 1 261 . 1 1 39 39 CYS C C 13 172.61 0.16 . 1 . . . . 39 CYS C . 15094 1 262 . 1 1 39 39 CYS CA C 13 55.64 0.11 . 1 . . . . 39 CYS CA . 15094 1 263 . 1 1 39 39 CYS CB C 13 29.69 0.17 . 1 . . . . 39 CYS CB . 15094 1 264 . 1 1 39 39 CYS N N 15 109.57 0.39 . 1 . . . . 39 CYS N . 15094 1 265 . 1 1 40 40 ALA H H 1 9.14 0.07 . 1 . . . . 40 ALA H . 15094 1 266 . 1 1 40 40 ALA HA H 1 5.28 0.07 . 1 . . . . 40 ALA HA . 15094 1 267 . 1 1 40 40 ALA C C 13 174.35 0.16 . 1 . . . . 40 ALA C . 15094 1 268 . 1 1 40 40 ALA CA C 13 50.52 0.11 . 1 . . . . 40 ALA CA . 15094 1 269 . 1 1 40 40 ALA CB C 13 23.28 0.17 . 1 . . . . 40 ALA CB . 15094 1 270 . 1 1 40 40 ALA N N 15 127.28 0.39 . 1 . . . . 40 ALA N . 15094 1 271 . 1 1 41 41 THR H H 1 9.24 0.07 . 1 . . . . 41 THR H . 15094 1 272 . 1 1 41 41 THR HB H 1 3.86 0.07 . 1 . . . . 41 THR HB . 15094 1 273 . 1 1 41 41 THR C C 13 172.81 0.16 . 1 . . . . 41 THR C . 15094 1 274 . 1 1 41 41 THR CA C 13 62.08 0.11 . 1 . . . . 41 THR CA . 15094 1 275 . 1 1 41 41 THR CB C 13 70.86 0.17 . 1 . . . . 41 THR CB . 15094 1 276 . 1 1 41 41 THR N N 15 121.5 0.39 . 1 . . . . 41 THR N . 15094 1 277 . 1 1 42 42 LEU H H 1 9.78 0.07 . 1 . . . . 42 LEU H . 15094 1 278 . 1 1 42 42 LEU HA H 1 5.04 0.07 . 1 . . . . 42 LEU HA . 15094 1 279 . 1 1 42 42 LEU C C 13 175.84 0.16 . 1 . . . . 42 LEU C . 15094 1 280 . 1 1 42 42 LEU CA C 13 53.19 0.11 . 1 . . . . 42 LEU CA . 15094 1 281 . 1 1 42 42 LEU CB C 13 43.32 0.17 . 1 . . . . 42 LEU CB . 15094 1 282 . 1 1 42 42 LEU N N 15 129.28 0.39 . 1 . . . . 42 LEU N . 15094 1 283 . 1 1 43 43 ILE H H 1 9.18 0.07 . 1 . . . . 43 ILE H . 15094 1 284 . 1 1 43 43 ILE C C 13 172.85 0.16 . 1 . . . . 43 ILE C . 15094 1 285 . 1 1 43 43 ILE CA C 13 58.47 0.11 . 1 . . . . 43 ILE CA . 15094 1 286 . 1 1 43 43 ILE CB C 13 39.87 0.17 . 1 . . . . 43 ILE CB . 15094 1 287 . 1 1 43 43 ILE N N 15 122.6 0.39 . 1 . . . . 43 ILE N . 15094 1 288 . 1 1 44 44 PRO C C 13 175.59 0.16 . 1 . . . . 44 PRO C . 15094 1 289 . 1 1 44 44 PRO CA C 13 62.17 0.11 . 1 . . . . 44 PRO CA . 15094 1 290 . 1 1 44 44 PRO CB C 13 32.78 0.17 . 1 . . . . 44 PRO CB . 15094 1 291 . 1 1 44 44 PRO N N 15 136.52 0.39 . 1 . . . . 44 PRO N . 15094 1 292 . 1 1 45 45 GLY H H 1 8.01 0.07 . 1 . . . . 45 GLY H . 15094 1 293 . 1 1 45 45 GLY HA2 H 1 3.73 0.07 . 2 . . . . 45 GLY HA2 . 15094 1 294 . 1 1 45 45 GLY HA3 H 1 4.08 0.07 . 2 . . . . 45 GLY HA3 . 15094 1 295 . 1 1 45 45 GLY C C 13 174.59 0.16 . 1 . . . . 45 GLY C . 15094 1 296 . 1 1 45 45 GLY CA C 13 46.02 0.11 . 1 . . . . 45 GLY CA . 15094 1 297 . 1 1 45 45 GLY N N 15 103.76 0.39 . 1 . . . . 45 GLY N . 15094 1 298 . 1 1 46 46 ALA H H 1 7.75 0.07 . 1 . . . . 46 ALA H . 15094 1 299 . 1 1 46 46 ALA HA H 1 5.07 0.07 . 1 . . . . 46 ALA HA . 15094 1 300 . 1 1 46 46 ALA C C 13 176.87 0.16 . 1 . . . . 46 ALA C . 15094 1 301 . 1 1 46 46 ALA CA C 13 50.73 0.11 . 1 . . . . 46 ALA CA . 15094 1 302 . 1 1 46 46 ALA CB C 13 20.11 0.17 . 1 . . . . 46 ALA CB . 15094 1 303 . 1 1 46 46 ALA N N 15 123.11 0.39 . 1 . . . . 46 ALA N . 15094 1 304 . 1 1 47 47 THR H H 1 8.79 0.07 . 1 . . . . 47 THR H . 15094 1 305 . 1 1 47 47 THR HB H 1 3.81 0.07 . 1 . . . . 47 THR HB . 15094 1 306 . 1 1 47 47 THR C C 13 173.71 0.16 . 1 . . . . 47 THR C . 15094 1 307 . 1 1 47 47 THR CA C 13 61.73 0.11 . 1 . . . . 47 THR CA . 15094 1 308 . 1 1 47 47 THR CB C 13 71.92 0.17 . 1 . . . . 47 THR CB . 15094 1 309 . 1 1 47 47 THR N N 15 116.6 0.39 . 1 . . . . 47 THR N . 15094 1 310 . 1 1 48 48 SER H H 1 9.51 0.07 . 1 . . . . 48 SER H . 15094 1 311 . 1 1 48 48 SER C C 13 172.91 0.16 . 1 . . . . 48 SER C . 15094 1 312 . 1 1 48 48 SER CA C 13 56.68 0.11 . 1 . . . . 48 SER CA . 15094 1 313 . 1 1 48 48 SER CB C 13 65.13 0.17 . 1 . . . . 48 SER CB . 15094 1 314 . 1 1 48 48 SER N N 15 123.56 0.39 . 1 . . . . 48 SER N . 15094 1 315 . 1 1 49 49 LEU H H 1 9.17 0.07 . 1 . . . . 49 LEU H . 15094 1 316 . 1 1 49 49 LEU C C 13 175.32 0.16 . 1 . . . . 49 LEU C . 15094 1 317 . 1 1 49 49 LEU CA C 13 54.41 0.11 . 1 . . . . 49 LEU CA . 15094 1 318 . 1 1 49 49 LEU CB C 13 45.82 0.17 . 1 . . . . 49 LEU CB . 15094 1 319 . 1 1 49 49 LEU N N 15 125.28 0.39 . 1 . . . . 49 LEU N . 15094 1 320 . 1 1 50 50 TYR H H 1 8.12 0.07 . 1 . . . . 50 TYR H . 15094 1 321 . 1 1 50 50 TYR C C 13 172.56 0.16 . 1 . . . . 50 TYR C . 15094 1 322 . 1 1 50 50 TYR CA C 13 56.58 0.11 . 1 . . . . 50 TYR CA . 15094 1 323 . 1 1 50 50 TYR CB C 13 39.64 0.17 . 1 . . . . 50 TYR CB . 15094 1 324 . 1 1 50 50 TYR N N 15 117.36 0.39 . 1 . . . . 50 TYR N . 15094 1 325 . 1 1 51 51 TYR H H 1 9.66 0.07 . 1 . . . . 51 TYR H . 15094 1 326 . 1 1 51 51 TYR C C 13 176.34 0.16 . 1 . . . . 51 TYR C . 15094 1 327 . 1 1 51 51 TYR CA C 13 57.8 0.11 . 1 . . . . 51 TYR CA . 15094 1 328 . 1 1 51 51 TYR CB C 13 40.93 0.17 . 1 . . . . 51 TYR CB . 15094 1 329 . 1 1 51 51 TYR N N 15 122.55 0.39 . 1 . . . . 51 TYR N . 15094 1 330 . 1 1 52 52 TRP H H 1 9.09 0.07 . 1 . . . . 52 TRP H . 15094 1 331 . 1 1 52 52 TRP HD1 H 1 7.28 0.07 . 1 . . . . 52 TRP HD1 . 15094 1 332 . 1 1 52 52 TRP HE1 H 1 10.04 0.07 . 1 . . . . 52 TRP HE1 . 15094 1 333 . 1 1 52 52 TRP HZ2 H 1 7.41 0.07 . 1 . . . . 52 TRP HZ2 . 15094 1 334 . 1 1 52 52 TRP HH2 H 1 7.12 0.07 . 1 . . . . 52 TRP HH2 . 15094 1 335 . 1 1 52 52 TRP C C 13 175.72 0.16 . 1 . . . . 52 TRP C . 15094 1 336 . 1 1 52 52 TRP CA C 13 56.8 0.11 . 1 . . . . 52 TRP CA . 15094 1 337 . 1 1 52 52 TRP CB C 13 32.26 0.17 . 1 . . . . 52 TRP CB . 15094 1 338 . 1 1 52 52 TRP N N 15 124.53 0.39 . 1 . . . . 52 TRP N . 15094 1 339 . 1 1 52 52 TRP NE1 N 15 130.37 0.39 . 1 . . . . 52 TRP NE1 . 15094 1 340 . 1 1 53 53 GLU H H 1 9 0.07 . 1 . . . . 53 GLU H . 15094 1 341 . 1 1 53 53 GLU C C 13 176.61 0.16 . 1 . . . . 53 GLU C . 15094 1 342 . 1 1 53 53 GLU CA C 13 56.74 0.11 . 1 . . . . 53 GLU CA . 15094 1 343 . 1 1 53 53 GLU CB C 13 27.24 0.17 . 1 . . . . 53 GLU CB . 15094 1 344 . 1 1 53 53 GLU CG C 13 35.62 0.17 . 1 . . . . 53 GLU CG . 15094 1 345 . 1 1 53 53 GLU CD C 13 184.36 0.16 . 1 . . . . 53 GLU CD . 15094 1 346 . 1 1 53 53 GLU N N 15 127.35 0.39 . 1 . . . . 53 GLU N . 15094 1 347 . 1 1 54 54 GLY H H 1 8.31 0.07 . 1 . . . . 54 GLY H . 15094 1 348 . 1 1 54 54 GLY HA2 H 1 3.57 0.07 . 2 . . . . 54 GLY HA2 . 15094 1 349 . 1 1 54 54 GLY HA3 H 1 4.06 0.07 . 2 . . . . 54 GLY HA3 . 15094 1 350 . 1 1 54 54 GLY C C 13 173.55 0.16 . 1 . . . . 54 GLY C . 15094 1 351 . 1 1 54 54 GLY CA C 13 45.39 0.11 . 1 . . . . 54 GLY CA . 15094 1 352 . 1 1 54 54 GLY N N 15 103.5 0.39 . 1 . . . . 54 GLY N . 15094 1 353 . 1 1 55 55 LYS H H 1 7.69 0.07 . 1 . . . . 55 LYS H . 15094 1 354 . 1 1 55 55 LYS HA H 1 4.52 0.07 . 1 . . . . 55 LYS HA . 15094 1 355 . 1 1 55 55 LYS HB2 H 1 1.76 0.07 . 2 . . . . 55 LYS HB2 . 15094 1 356 . 1 1 55 55 LYS C C 13 173.93 0.16 . 1 . . . . 55 LYS C . 15094 1 357 . 1 1 55 55 LYS CA C 13 54.37 0.11 . 1 . . . . 55 LYS CA . 15094 1 358 . 1 1 55 55 LYS CB C 13 35.23 0.17 . 1 . . . . 55 LYS CB . 15094 1 359 . 1 1 55 55 LYS CG C 13 24.38 0.17 . 1 . . . . 55 LYS CG . 15094 1 360 . 1 1 55 55 LYS CD C 13 29.09 0.17 . 1 . . . . 55 LYS CD . 15094 1 361 . 1 1 55 55 LYS CE C 13 42.29 0.17 . 1 . . . . 55 LYS CE . 15094 1 362 . 1 1 55 55 LYS N N 15 121.69 0.39 . 1 . . . . 55 LYS N . 15094 1 363 . 1 1 56 56 LEU H H 1 8.22 0.07 . 1 . . . . 56 LEU H . 15094 1 364 . 1 1 56 56 LEU HA H 1 4.41 0.07 . 1 . . . . 56 LEU HA . 15094 1 365 . 1 1 56 56 LEU HB2 H 1 1.42 0.07 . 2 . . . . 56 LEU HB2 . 15094 1 366 . 1 1 56 56 LEU C C 13 175.71 0.16 . 1 . . . . 56 LEU C . 15094 1 367 . 1 1 56 56 LEU CA C 13 55.03 0.11 . 1 . . . . 56 LEU CA . 15094 1 368 . 1 1 56 56 LEU CB C 13 41.72 0.17 . 1 . . . . 56 LEU CB . 15094 1 369 . 1 1 56 56 LEU N N 15 125.46 0.39 . 1 . . . . 56 LEU N . 15094 1 370 . 1 1 57 57 GLU H H 1 9.04 0.07 . 1 . . . . 57 GLU H . 15094 1 371 . 1 1 57 57 GLU C C 13 173.9 0.16 . 1 . . . . 57 GLU C . 15094 1 372 . 1 1 57 57 GLU CA C 13 54.51 0.11 . 1 . . . . 57 GLU CA . 15094 1 373 . 1 1 57 57 GLU CB C 13 31.37 0.17 . 1 . . . . 57 GLU CB . 15094 1 374 . 1 1 57 57 GLU CG C 13 34.96 0.17 . 1 . . . . 57 GLU CG . 15094 1 375 . 1 1 57 57 GLU CD C 13 183.21 0.16 . 1 . . . . 57 GLU CD . 15094 1 376 . 1 1 57 57 GLU N N 15 131.43 0.39 . 1 . . . . 57 GLU N . 15094 1 377 . 1 1 58 58 GLN H H 1 8.12 0.07 . 1 . . . . 58 GLN H . 15094 1 378 . 1 1 58 58 GLN HA H 1 5.35 0.07 . 1 . . . . 58 GLN HA . 15094 1 379 . 1 1 58 58 GLN HE21 H 1 6.57 0.07 . 2 . . . . 58 GLN HE21 . 15094 1 380 . 1 1 58 58 GLN HE22 H 1 7.14 0.07 . 2 . . . . 58 GLN HE22 . 15094 1 381 . 1 1 58 58 GLN C C 13 175.12 0.16 . 1 . . . . 58 GLN C . 15094 1 382 . 1 1 58 58 GLN CA C 13 53.75 0.11 . 1 . . . . 58 GLN CA . 15094 1 383 . 1 1 58 58 GLN CB C 13 31.69 0.17 . 1 . . . . 58 GLN CB . 15094 1 384 . 1 1 58 58 GLN CG C 13 33.39 0.17 . 1 . . . . 58 GLN CG . 15094 1 385 . 1 1 58 58 GLN CD C 13 180.12 0.16 . 1 . . . . 58 GLN CD . 15094 1 386 . 1 1 58 58 GLN N N 15 118.99 0.39 . 1 . . . . 58 GLN N . 15094 1 387 . 1 1 58 58 GLN NE2 N 15 110.88 0.39 . 1 . . . . 58 GLN NE2 . 15094 1 388 . 1 1 59 59 GLU H H 1 8.94 0.07 . 1 . . . . 59 GLU H . 15094 1 389 . 1 1 59 59 GLU C C 13 174.87 0.16 . 1 . . . . 59 GLU C . 15094 1 390 . 1 1 59 59 GLU CA C 13 54.18 0.11 . 1 . . . . 59 GLU CA . 15094 1 391 . 1 1 59 59 GLU CB C 13 33.63 0.17 . 1 . . . . 59 GLU CB . 15094 1 392 . 1 1 59 59 GLU CG C 13 35.36 0.17 . 1 . . . . 59 GLU CG . 15094 1 393 . 1 1 59 59 GLU CD C 13 183.72 0.16 . 1 . . . . 59 GLU CD . 15094 1 394 . 1 1 59 59 GLU N N 15 123.69 0.39 . 1 . . . . 59 GLU N . 15094 1 395 . 1 1 60 60 TYR H H 1 8.76 0.07 . 1 . . . . 60 TYR H . 15094 1 396 . 1 1 60 60 TYR C C 13 175.61 0.16 . 1 . . . . 60 TYR C . 15094 1 397 . 1 1 60 60 TYR CA C 13 58.34 0.11 . 1 . . . . 60 TYR CA . 15094 1 398 . 1 1 60 60 TYR CB C 13 38.59 0.17 . 1 . . . . 60 TYR CB . 15094 1 399 . 1 1 60 60 TYR N N 15 126.03 0.39 . 1 . . . . 60 TYR N . 15094 1 400 . 1 1 61 61 GLU H H 1 8.29 0.07 . 1 . . . . 61 GLU H . 15094 1 401 . 1 1 61 61 GLU HB2 H 1 2.65 0.07 . 2 . . . . 61 GLU HB2 . 15094 1 402 . 1 1 61 61 GLU C C 13 173.63 0.16 . 1 . . . . 61 GLU C . 15094 1 403 . 1 1 61 61 GLU CA C 13 54.36 0.11 . 1 . . . . 61 GLU CA . 15094 1 404 . 1 1 61 61 GLU CB C 13 34.49 0.17 . 1 . . . . 61 GLU CB . 15094 1 405 . 1 1 61 61 GLU N N 15 121.85 0.39 . 1 . . . . 61 GLU N . 15094 1 406 . 1 1 62 62 VAL H H 1 8.76 0.07 . 1 . . . . 62 VAL H . 15094 1 407 . 1 1 62 62 VAL C C 13 176.66 0.16 . 1 . . . . 62 VAL C . 15094 1 408 . 1 1 62 62 VAL CA C 13 60.38 0.11 . 1 . . . . 62 VAL CA . 15094 1 409 . 1 1 62 62 VAL CB C 13 34.47 0.17 . 1 . . . . 62 VAL CB . 15094 1 410 . 1 1 62 62 VAL CG1 C 13 20.6 0.17 . 1 . . . . 62 VAL CG1 . 15094 1 411 . 1 1 62 62 VAL N N 15 118.26 0.39 . 1 . . . . 62 VAL N . 15094 1 412 . 1 1 63 63 GLN H H 1 8.59 0.07 . 1 . . . . 63 GLN H . 15094 1 413 . 1 1 63 63 GLN C C 13 174.09 0.16 . 1 . . . . 63 GLN C . 15094 1 414 . 1 1 63 63 GLN CA C 13 55.04 0.11 . 1 . . . . 63 GLN CA . 15094 1 415 . 1 1 63 63 GLN CB C 13 30.52 0.17 . 1 . . . . 63 GLN CB . 15094 1 416 . 1 1 63 63 GLN N N 15 127.54 0.39 . 1 . . . . 63 GLN N . 15094 1 417 . 1 1 64 64 MET H H 1 9.35 0.07 . 1 . . . . 64 MET H . 15094 1 418 . 1 1 64 64 MET C C 13 176.27 0.16 . 1 . . . . 64 MET C . 15094 1 419 . 1 1 64 64 MET CA C 13 54.3 0.11 . 1 . . . . 64 MET CA . 15094 1 420 . 1 1 64 64 MET CB C 13 35.83 0.17 . 1 . . . . 64 MET CB . 15094 1 421 . 1 1 64 64 MET N N 15 126.52 0.39 . 1 . . . . 64 MET N . 15094 1 422 . 1 1 65 65 ILE H H 1 9.22 0.07 . 1 . . . . 65 ILE H . 15094 1 423 . 1 1 65 65 ILE C C 13 176.41 0.16 . 1 . . . . 65 ILE C . 15094 1 424 . 1 1 65 65 ILE CA C 13 61.15 0.11 . 1 . . . . 65 ILE CA . 15094 1 425 . 1 1 65 65 ILE CB C 13 40.17 0.17 . 1 . . . . 65 ILE CB . 15094 1 426 . 1 1 65 65 ILE CG1 C 13 32.77 0.17 . 1 . . . . 65 ILE CG1 . 15094 1 427 . 1 1 65 65 ILE N N 15 122.63 0.39 . 1 . . . . 65 ILE N . 15094 1 428 . 1 1 66 66 LEU H H 1 10.1 0.07 . 1 . . . . 66 LEU H . 15094 1 429 . 1 1 66 66 LEU C C 13 175.29 0.16 . 1 . . . . 66 LEU C . 15094 1 430 . 1 1 66 66 LEU CA C 13 54.5 0.11 . 1 . . . . 66 LEU CA . 15094 1 431 . 1 1 66 66 LEU CB C 13 44.36 0.17 . 1 . . . . 66 LEU CB . 15094 1 432 . 1 1 66 66 LEU CD1 C 13 26.53 0.17 . 2 . . . . 66 LEU CD1 . 15094 1 433 . 1 1 66 66 LEU CD2 C 13 23.52 0.17 . 2 . . . . 66 LEU CD2 . 15094 1 434 . 1 1 66 66 LEU N N 15 128.56 0.39 . 1 . . . . 66 LEU N . 15094 1 435 . 1 1 67 67 LYS H H 1 8.04 0.07 . 1 . . . . 67 LYS H . 15094 1 436 . 1 1 67 67 LYS C C 13 175.55 0.16 . 1 . . . . 67 LYS C . 15094 1 437 . 1 1 67 67 LYS CA C 13 56.36 0.11 . 1 . . . . 67 LYS CA . 15094 1 438 . 1 1 67 67 LYS CB C 13 33.09 0.17 . 1 . . . . 67 LYS CB . 15094 1 439 . 1 1 67 67 LYS N N 15 122.05 0.39 . 1 . . . . 67 LYS N . 15094 1 440 . 1 1 68 68 THR H H 1 8.34 0.07 . 1 . . . . 68 THR H . 15094 1 441 . 1 1 68 68 THR HA H 1 4.5 0.07 . 1 . . . . 68 THR HA . 15094 1 442 . 1 1 68 68 THR C C 13 171.86 0.16 . 1 . . . . 68 THR C . 15094 1 443 . 1 1 68 68 THR CA C 13 59.92 0.11 . 1 . . . . 68 THR CA . 15094 1 444 . 1 1 68 68 THR CB C 13 68.7 0.17 . 1 . . . . 68 THR CB . 15094 1 445 . 1 1 68 68 THR CG2 C 13 21.87 0.17 . 1 . . . . 68 THR CG2 . 15094 1 446 . 1 1 68 68 THR N N 15 119.34 0.39 . 1 . . . . 68 THR N . 15094 1 447 . 1 1 69 69 THR H H 1 8.06 0.07 . 1 . . . . 69 THR H . 15094 1 448 . 1 1 69 69 THR HB H 1 4.54 0.07 . 1 . . . . 69 THR HB . 15094 1 449 . 1 1 69 69 THR C C 13 177.07 0.16 . 1 . . . . 69 THR C . 15094 1 450 . 1 1 69 69 THR CA C 13 58.87 0.11 . 1 . . . . 69 THR CA . 15094 1 451 . 1 1 69 69 THR CB C 13 72.22 0.17 . 1 . . . . 69 THR CB . 15094 1 452 . 1 1 69 69 THR CG2 C 13 21.07 0.17 . 1 . . . . 69 THR CG2 . 15094 1 453 . 1 1 69 69 THR N N 15 110.57 0.39 . 1 . . . . 69 THR N . 15094 1 454 . 1 1 70 70 VAL H H 1 8.86 0.07 . 1 . . . . 70 VAL H . 15094 1 455 . 1 1 70 70 VAL HA H 1 3.62 0.07 . 1 . . . . 70 VAL HA . 15094 1 456 . 1 1 70 70 VAL C C 13 178.51 0.16 . 1 . . . . 70 VAL C . 15094 1 457 . 1 1 70 70 VAL CA C 13 65.75 0.11 . 1 . . . . 70 VAL CA . 15094 1 458 . 1 1 70 70 VAL CB C 13 31.8 0.17 . 1 . . . . 70 VAL CB . 15094 1 459 . 1 1 70 70 VAL CG1 C 13 22.09 0.17 . 2 . . . . 70 VAL CG1 . 15094 1 460 . 1 1 70 70 VAL N N 15 121.58 0.39 . 1 . . . . 70 VAL N . 15094 1 461 . 1 1 71 71 SER H H 1 7.98 0.07 . 1 . . . . 71 SER H . 15094 1 462 . 1 1 71 71 SER HA H 1 4.74 0.07 . 1 . . . . 71 SER HA . 15094 1 463 . 1 1 71 71 SER C C 13 175.31 0.16 . 1 . . . . 71 SER C . 15094 1 464 . 1 1 71 71 SER CA C 13 60.31 0.11 . 1 . . . . 71 SER CA . 15094 1 465 . 1 1 71 71 SER CB C 13 62.94 0.17 . 1 . . . . 71 SER CB . 15094 1 466 . 1 1 71 71 SER N N 15 114.16 0.39 . 1 . . . . 71 SER N . 15094 1 467 . 1 1 72 72 HIS H H 1 7.66 0.07 . 1 . . . . 72 HIS H . 15094 1 468 . 1 1 72 72 HIS C C 13 175.63 0.16 . 1 . . . . 72 HIS C . 15094 1 469 . 1 1 72 72 HIS CA C 13 56.33 0.11 . 1 . . . . 72 HIS CA . 15094 1 470 . 1 1 72 72 HIS CB C 13 31.14 0.17 . 1 . . . . 72 HIS CB . 15094 1 471 . 1 1 72 72 HIS N N 15 118.31 0.39 . 1 . . . . 72 HIS N . 15094 1 472 . 1 1 73 73 GLN H H 1 7.52 0.07 . 1 . . . . 73 GLN H . 15094 1 473 . 1 1 73 73 GLN HE21 H 1 5.92 0.07 . 2 . . . . 73 GLN HE21 . 15094 1 474 . 1 1 73 73 GLN HE22 H 1 6.89 0.07 . 2 . . . . 73 GLN HE22 . 15094 1 475 . 1 1 73 73 GLN C C 13 175.64 0.16 . 1 . . . . 73 GLN C . 15094 1 476 . 1 1 73 73 GLN CA C 13 60.21 0.11 . 1 . . . . 73 GLN CA . 15094 1 477 . 1 1 73 73 GLN CB C 13 27.28 0.17 . 1 . . . . 73 GLN CB . 15094 1 478 . 1 1 73 73 GLN CG C 13 31.82 0.17 . 1 . . . . 73 GLN CG . 15094 1 479 . 1 1 73 73 GLN CD C 13 177.12 0.16 . 1 . . . . 73 GLN CD . 15094 1 480 . 1 1 73 73 GLN N N 15 120.19 0.39 . 1 . . . . 73 GLN N . 15094 1 481 . 1 1 73 73 GLN NE2 N 15 106.39 0.39 . 1 . . . . 73 GLN NE2 . 15094 1 482 . 1 1 74 74 GLN H H 1 8.41 0.07 . 1 . . . . 74 GLN H . 15094 1 483 . 1 1 74 74 GLN HA H 1 4.74 0.07 . 1 . . . . 74 GLN HA . 15094 1 484 . 1 1 74 74 GLN HE21 H 1 6.89 0.07 . 2 . . . . 74 GLN HE21 . 15094 1 485 . 1 1 74 74 GLN HE22 H 1 7.91 0.07 . 2 . . . . 74 GLN HE22 . 15094 1 486 . 1 1 74 74 GLN C C 13 177.93 0.16 . 1 . . . . 74 GLN C . 15094 1 487 . 1 1 74 74 GLN CA C 13 59.06 0.11 . 1 . . . . 74 GLN CA . 15094 1 488 . 1 1 74 74 GLN CB C 13 27.61 0.17 . 1 . . . . 74 GLN CB . 15094 1 489 . 1 1 74 74 GLN CG C 13 33.28 0.17 . 1 . . . . 74 GLN CG . 15094 1 490 . 1 1 74 74 GLN CD C 13 180.08 0.16 . 1 . . . . 74 GLN CD . 15094 1 491 . 1 1 74 74 GLN N N 15 121.83 0.39 . 1 . . . . 74 GLN N . 15094 1 492 . 1 1 74 74 GLN NE2 N 15 113.69 0.39 . 1 . . . . 74 GLN NE2 . 15094 1 493 . 1 1 75 75 ALA H H 1 8.49 0.07 . 1 . . . . 75 ALA H . 15094 1 494 . 1 1 75 75 ALA HA H 1 4.74 0.07 . 1 . . . . 75 ALA HA . 15094 1 495 . 1 1 75 75 ALA C C 13 181.46 0.16 . 1 . . . . 75 ALA C . 15094 1 496 . 1 1 75 75 ALA CA C 13 54.57 0.11 . 1 . . . . 75 ALA CA . 15094 1 497 . 1 1 75 75 ALA CB C 13 18.61 0.17 . 1 . . . . 75 ALA CB . 15094 1 498 . 1 1 75 75 ALA N N 15 123.28 0.39 . 1 . . . . 75 ALA N . 15094 1 499 . 1 1 76 76 LEU H H 1 8.67 0.07 . 1 . . . . 76 LEU H . 15094 1 500 . 1 1 76 76 LEU C C 13 177.85 0.16 . 1 . . . . 76 LEU C . 15094 1 501 . 1 1 76 76 LEU CA C 13 58.57 0.11 . 1 . . . . 76 LEU CA . 15094 1 502 . 1 1 76 76 LEU CB C 13 39.87 0.17 . 1 . . . . 76 LEU CB . 15094 1 503 . 1 1 76 76 LEU N N 15 120.19 0.39 . 1 . . . . 76 LEU N . 15094 1 504 . 1 1 77 77 LEU H H 1 8.1 0.07 . 1 . . . . 77 LEU H . 15094 1 505 . 1 1 77 77 LEU C C 13 179.17 0.16 . 1 . . . . 77 LEU C . 15094 1 506 . 1 1 77 77 LEU CA C 13 59.38 0.11 . 1 . . . . 77 LEU CA . 15094 1 507 . 1 1 77 77 LEU CB C 13 40.25 0.17 . 1 . . . . 77 LEU CB . 15094 1 508 . 1 1 77 77 LEU CD1 C 13 27.99 0.17 . 2 . . . . 77 LEU CD1 . 15094 1 509 . 1 1 77 77 LEU CD2 C 13 21.83 0.17 . 2 . . . . 77 LEU CD2 . 15094 1 510 . 1 1 77 77 LEU N N 15 120.38 0.39 . 1 . . . . 77 LEU N . 15094 1 511 . 1 1 78 78 GLU H H 1 8.2 0.07 . 1 . . . . 78 GLU H . 15094 1 512 . 1 1 78 78 GLU HA H 1 4.33 0.07 . 1 . . . . 78 GLU HA . 15094 1 513 . 1 1 78 78 GLU C C 13 178.96 0.16 . 1 . . . . 78 GLU C . 15094 1 514 . 1 1 78 78 GLU CA C 13 59.27 0.11 . 1 . . . . 78 GLU CA . 15094 1 515 . 1 1 78 78 GLU CB C 13 29.39 0.17 . 1 . . . . 78 GLU CB . 15094 1 516 . 1 1 78 78 GLU CG C 13 36.55 0.17 . 1 . . . . 78 GLU CG . 15094 1 517 . 1 1 78 78 GLU CD C 13 183.48 0.16 . 1 . . . . 78 GLU CD . 15094 1 518 . 1 1 78 78 GLU N N 15 117.99 0.39 . 1 . . . . 78 GLU N . 15094 1 519 . 1 1 79 79 CYS H H 1 8.11 0.07 . 1 . . . . 79 CYS H . 15094 1 520 . 1 1 79 79 CYS C C 13 178.07 0.16 . 1 . . . . 79 CYS C . 15094 1 521 . 1 1 79 79 CYS CA C 13 62.63 0.11 . 1 . . . . 79 CYS CA . 15094 1 522 . 1 1 79 79 CYS CB C 13 27.44 0.17 . 1 . . . . 79 CYS CB . 15094 1 523 . 1 1 79 79 CYS N N 15 122.13 0.39 . 1 . . . . 79 CYS N . 15094 1 524 . 1 1 80 80 LEU H H 1 8.46 0.07 . 1 . . . . 80 LEU H . 15094 1 525 . 1 1 80 80 LEU C C 13 178.32 0.16 . 1 . . . . 80 LEU C . 15094 1 526 . 1 1 80 80 LEU CA C 13 58.41 0.11 . 1 . . . . 80 LEU CA . 15094 1 527 . 1 1 80 80 LEU N N 15 119.43 0.39 . 1 . . . . 80 LEU N . 15094 1 528 . 1 1 81 81 LYS H H 1 8.42 0.07 . 1 . . . . 81 LYS H . 15094 1 529 . 1 1 81 81 LYS C C 13 179.04 0.16 . 1 . . . . 81 LYS C . 15094 1 530 . 1 1 81 81 LYS CA C 13 59.79 0.11 . 1 . . . . 81 LYS CA . 15094 1 531 . 1 1 81 81 LYS CB C 13 33.61 0.17 . 1 . . . . 81 LYS CB . 15094 1 532 . 1 1 81 81 LYS N N 15 118.2 0.39 . 1 . . . . 81 LYS N . 15094 1 533 . 1 1 82 82 SER H H 1 7.97 0.07 . 1 . . . . 82 SER H . 15094 1 534 . 1 1 82 82 SER HA H 1 4.13 0.07 . 1 . . . . 82 SER HA . 15094 1 535 . 1 1 82 82 SER C C 13 175.39 0.16 . 1 . . . . 82 SER C . 15094 1 536 . 1 1 82 82 SER CA C 13 60.96 0.11 . 1 . . . . 82 SER CA . 15094 1 537 . 1 1 82 82 SER CB C 13 63.17 0.17 . 1 . . . . 82 SER CB . 15094 1 538 . 1 1 82 82 SER N N 15 112 0.39 . 1 . . . . 82 SER N . 15094 1 539 . 1 1 83 83 HIS H H 1 7.28 0.07 . 1 . . . . 83 HIS H . 15094 1 540 . 1 1 83 83 HIS HA H 1 3.49 0.07 . 1 . . . . 83 HIS HA . 15094 1 541 . 1 1 83 83 HIS C C 13 173.63 0.16 . 1 . . . . 83 HIS C . 15094 1 542 . 1 1 83 83 HIS CA C 13 56.67 0.11 . 1 . . . . 83 HIS CA . 15094 1 543 . 1 1 83 83 HIS CB C 13 30.72 0.17 . 1 . . . . 83 HIS CB . 15094 1 544 . 1 1 83 83 HIS N N 15 116.72 0.39 . 1 . . . . 83 HIS N . 15094 1 545 . 1 1 84 84 HIS H H 1 7.84 0.07 . 1 . . . . 84 HIS H . 15094 1 546 . 1 1 84 84 HIS C C 13 174.68 0.16 . 1 . . . . 84 HIS C . 15094 1 547 . 1 1 84 84 HIS CA C 13 56.58 0.11 . 1 . . . . 84 HIS CA . 15094 1 548 . 1 1 84 84 HIS CB C 13 31.54 0.17 . 1 . . . . 84 HIS CB . 15094 1 549 . 1 1 84 84 HIS N N 15 126.27 0.39 . 1 . . . . 84 HIS N . 15094 1 550 . 1 1 85 85 PRO C C 13 178.44 0.16 . 1 . . . . 85 PRO C . 15094 1 551 . 1 1 85 85 PRO CA C 13 63.76 0.11 . 1 . . . . 85 PRO CA . 15094 1 552 . 1 1 85 85 PRO CB C 13 32.01 0.17 . 1 . . . . 85 PRO CB . 15094 1 553 . 1 1 85 85 PRO N N 15 136.19 0.39 . 1 . . . . 85 PRO N . 15094 1 554 . 1 1 86 86 TYR H H 1 10.82 0.07 . 1 . . . . 86 TYR H . 15094 1 555 . 1 1 86 86 TYR C C 13 176.17 0.16 . 1 . . . . 86 TYR C . 15094 1 556 . 1 1 86 86 TYR CA C 13 54.04 0.11 . 1 . . . . 86 TYR CA . 15094 1 557 . 1 1 86 86 TYR CB C 13 37.05 0.17 . 1 . . . . 86 TYR CB . 15094 1 558 . 1 1 86 86 TYR N N 15 124.39 0.39 . 1 . . . . 86 TYR N . 15094 1 559 . 1 1 87 87 GLN H H 1 8.3 0.07 . 1 . . . . 87 GLN H . 15094 1 560 . 1 1 87 87 GLN HA H 1 4.25 0.07 . 1 . . . . 87 GLN HA . 15094 1 561 . 1 1 87 87 GLN HB2 H 1 2.34 0.07 . 2 . . . . 87 GLN HB2 . 15094 1 562 . 1 1 87 87 GLN HB3 H 1 1.94 0.07 . 2 . . . . 87 GLN HB3 . 15094 1 563 . 1 1 87 87 GLN HE21 H 1 6.79 0.07 . 2 . . . . 87 GLN HE21 . 15094 1 564 . 1 1 87 87 GLN HE22 H 1 7.5 0.07 . 2 . . . . 87 GLN HE22 . 15094 1 565 . 1 1 87 87 GLN C C 13 177.19 0.16 . 1 . . . . 87 GLN C . 15094 1 566 . 1 1 87 87 GLN CA C 13 58.22 0.11 . 1 . . . . 87 GLN CA . 15094 1 567 . 1 1 87 87 GLN CB C 13 29.23 0.17 . 1 . . . . 87 GLN CB . 15094 1 568 . 1 1 87 87 GLN CG C 13 33.96 0.17 . 1 . . . . 87 GLN CG . 15094 1 569 . 1 1 87 87 GLN CD C 13 180.67 0.16 . 1 . . . . 87 GLN CD . 15094 1 570 . 1 1 87 87 GLN N N 15 120.39 0.39 . 1 . . . . 87 GLN N . 15094 1 571 . 1 1 87 87 GLN NE2 N 15 113.53 0.39 . 1 . . . . 87 GLN NE2 . 15094 1 572 . 1 1 88 88 THR H H 1 7.75 0.07 . 1 . . . . 88 THR H . 15094 1 573 . 1 1 88 88 THR HA H 1 4.28 0.07 . 1 . . . . 88 THR HA . 15094 1 574 . 1 1 88 88 THR HB H 1 3.62 0.07 . 1 . . . . 88 THR HB . 15094 1 575 . 1 1 88 88 THR HG21 H 1 -0.84 0.07 . 1 . . . . 88 THR HG2 . 15094 1 576 . 1 1 88 88 THR HG22 H 1 -0.84 0.07 . 1 . . . . 88 THR HG2 . 15094 1 577 . 1 1 88 88 THR HG23 H 1 -0.84 0.07 . 1 . . . . 88 THR HG2 . 15094 1 578 . 1 1 88 88 THR C C 13 171.31 0.16 . 1 . . . . 88 THR C . 15094 1 579 . 1 1 88 88 THR CA C 13 58.02 0.11 . 1 . . . . 88 THR CA . 15094 1 580 . 1 1 88 88 THR CB C 13 68.88 0.17 . 1 . . . . 88 THR CB . 15094 1 581 . 1 1 88 88 THR CG2 C 13 21.83 0.17 . 1 . . . . 88 THR CG2 . 15094 1 582 . 1 1 88 88 THR N N 15 112.93 0.39 . 1 . . . . 88 THR N . 15094 1 583 . 1 1 89 89 PRO HA H 1 3.89 0.07 . 1 . . . . 89 PRO HA . 15094 1 584 . 1 1 89 89 PRO C C 13 175.33 0.16 . 1 . . . . 89 PRO C . 15094 1 585 . 1 1 89 89 PRO CA C 13 61.63 0.11 . 1 . . . . 89 PRO CA . 15094 1 586 . 1 1 89 89 PRO CB C 13 30.9 0.17 . 1 . . . . 89 PRO CB . 15094 1 587 . 1 1 89 89 PRO CG C 13 27.75 0.17 . 1 . . . . 89 PRO CG . 15094 1 588 . 1 1 89 89 PRO N N 15 137.43 0.39 . 1 . . . . 89 PRO N . 15094 1 589 . 1 1 90 90 GLU H H 1 8.15 0.07 . 1 . . . . 90 GLU H . 15094 1 590 . 1 1 90 90 GLU HA H 1 4.58 0.07 . 1 . . . . 90 GLU HA . 15094 1 591 . 1 1 90 90 GLU HB2 H 1 3.03 0.07 . 1 . . . . 90 GLU HB2 . 15094 1 592 . 1 1 90 90 GLU HB3 H 1 2.88 0.07 . 1 . . . . 90 GLU HB3 . 15094 1 593 . 1 1 90 90 GLU C C 13 174.86 0.16 . 1 . . . . 90 GLU C . 15094 1 594 . 1 1 90 90 GLU CA C 13 56.46 0.11 . 1 . . . . 90 GLU CA . 15094 1 595 . 1 1 90 90 GLU N N 15 121.23 0.39 . 1 . . . . 90 GLU N . 15094 1 596 . 1 1 91 91 LEU C C 13 175.11 0.16 . 1 . . . . 91 LEU C . 15094 1 597 . 1 1 91 91 LEU CA C 13 53.52 0.11 . 1 . . . . 91 LEU CA . 15094 1 598 . 1 1 91 91 LEU CB C 13 46.02 0.17 . 1 . . . . 91 LEU CB . 15094 1 599 . 1 1 92 92 LEU H H 1 7.99 0.07 . 1 . . . . 92 LEU H . 15094 1 600 . 1 1 92 92 LEU HA H 1 4.22 0.07 . 1 . . . . 92 LEU HA . 15094 1 601 . 1 1 92 92 LEU C C 13 174.17 0.16 . 1 . . . . 92 LEU C . 15094 1 602 . 1 1 92 92 LEU CA C 13 53.28 0.11 . 1 . . . . 92 LEU CA . 15094 1 603 . 1 1 92 92 LEU CB C 13 47.48 0.17 . 1 . . . . 92 LEU CB . 15094 1 604 . 1 1 92 92 LEU N N 15 122.17 0.39 . 1 . . . . 92 LEU N . 15094 1 605 . 1 1 93 93 VAL H H 1 8.58 0.07 . 1 . . . . 93 VAL H . 15094 1 606 . 1 1 93 93 VAL HA H 1 4.71 0.07 . 1 . . . . 93 VAL HA . 15094 1 607 . 1 1 93 93 VAL C C 13 173.68 0.16 . 1 . . . . 93 VAL C . 15094 1 608 . 1 1 93 93 VAL CA C 13 61.75 0.11 . 1 . . . . 93 VAL CA . 15094 1 609 . 1 1 93 93 VAL CB C 13 32.71 0.17 . 1 . . . . 93 VAL CB . 15094 1 610 . 1 1 93 93 VAL N N 15 121.74 0.39 . 1 . . . . 93 VAL N . 15094 1 611 . 1 1 94 94 LEU H H 1 9.67 0.07 . 1 . . . . 94 LEU H . 15094 1 612 . 1 1 94 94 LEU HA H 1 5.4 0.07 . 1 . . . . 94 LEU HA . 15094 1 613 . 1 1 94 94 LEU C C 13 174.11 0.16 . 1 . . . . 94 LEU C . 15094 1 614 . 1 1 94 94 LEU CA C 13 51.77 0.11 . 1 . . . . 94 LEU CA . 15094 1 615 . 1 1 94 94 LEU N N 15 128.84 0.39 . 1 . . . . 94 LEU N . 15094 1 616 . 1 1 95 95 PRO C C 13 173.86 0.16 . 1 . . . . 95 PRO C . 15094 1 617 . 1 1 95 95 PRO CA C 13 62.44 0.11 . 1 . . . . 95 PRO CA . 15094 1 618 . 1 1 95 95 PRO CB C 13 32.41 0.17 . 1 . . . . 95 PRO CB . 15094 1 619 . 1 1 95 95 PRO N N 15 132.94 0.39 . 1 . . . . 95 PRO N . 15094 1 620 . 1 1 96 96 VAL H H 1 7.1 0.07 . 1 . . . . 96 VAL H . 15094 1 621 . 1 1 96 96 VAL C C 13 179.05 0.16 . 1 . . . . 96 VAL C . 15094 1 622 . 1 1 96 96 VAL CA C 13 60.6 0.11 . 1 . . . . 96 VAL CA . 15094 1 623 . 1 1 96 96 VAL CB C 13 32.89 0.17 . 1 . . . . 96 VAL CB . 15094 1 624 . 1 1 96 96 VAL CG1 C 13 21.46 0.17 . 1 . . . . 96 VAL CG1 . 15094 1 625 . 1 1 96 96 VAL CG2 C 13 21.46 0.17 . 1 . . . . 96 VAL CG2 . 15094 1 626 . 1 1 96 96 VAL N N 15 117.03 0.39 . 1 . . . . 96 VAL N . 15094 1 627 . 1 1 97 97 THR H H 1 8.98 0.07 . 1 . . . . 97 THR H . 15094 1 628 . 1 1 97 97 THR C C 13 175.26 0.16 . 1 . . . . 97 THR C . 15094 1 629 . 1 1 97 97 THR CA C 13 62.63 0.11 . 1 . . . . 97 THR CA . 15094 1 630 . 1 1 97 97 THR CB C 13 68.45 0.17 . 1 . . . . 97 THR CB . 15094 1 631 . 1 1 97 97 THR N N 15 120.08 0.39 . 1 . . . . 97 THR N . 15094 1 632 . 1 1 98 98 HIS H H 1 7.84 0.07 . 1 . . . . 98 HIS H . 15094 1 633 . 1 1 98 98 HIS HA H 1 4.12 0.07 . 1 . . . . 98 HIS HA . 15094 1 634 . 1 1 98 98 HIS C C 13 171.8 0.16 . 1 . . . . 98 HIS C . 15094 1 635 . 1 1 98 98 HIS CA C 13 55.69 0.11 . 1 . . . . 98 HIS CA . 15094 1 636 . 1 1 98 98 HIS CB C 13 32.95 0.17 . 1 . . . . 98 HIS CB . 15094 1 637 . 1 1 98 98 HIS N N 15 120.26 0.39 . 1 . . . . 98 HIS N . 15094 1 638 . 1 1 99 99 GLY H H 1 7.15 0.07 . 1 . . . . 99 GLY H . 15094 1 639 . 1 1 99 99 GLY HA2 H 1 3.75 0.07 . 2 . . . . 99 GLY HA2 . 15094 1 640 . 1 1 99 99 GLY HA3 H 1 4.2 0.07 . 2 . . . . 99 GLY HA3 . 15094 1 641 . 1 1 99 99 GLY C C 13 170.7 0.16 . 1 . . . . 99 GLY C . 15094 1 642 . 1 1 99 99 GLY CA C 13 44.7 0.11 . 1 . . . . 99 GLY CA . 15094 1 643 . 1 1 99 99 GLY N N 15 108.27 0.39 . 1 . . . . 99 GLY N . 15094 1 644 . 1 1 100 100 ASP H H 1 7.49 0.07 . 1 . . . . 100 ASP H . 15094 1 645 . 1 1 100 100 ASP C C 13 176.53 0.16 . 1 . . . . 100 ASP C . 15094 1 646 . 1 1 100 100 ASP CA C 13 54.56 0.11 . 1 . . . . 100 ASP CA . 15094 1 647 . 1 1 100 100 ASP CB C 13 45.98 0.17 . 1 . . . . 100 ASP CB . 15094 1 648 . 1 1 100 100 ASP N N 15 119.72 0.39 . 1 . . . . 100 ASP N . 15094 1 649 . 1 1 101 101 THR H H 1 8.79 0.07 . 1 . . . . 101 THR H . 15094 1 650 . 1 1 101 101 THR HB H 1 4.17 0.07 . 1 . . . . 101 THR HB . 15094 1 651 . 1 1 101 101 THR C C 13 176.44 0.16 . 1 . . . . 101 THR C . 15094 1 652 . 1 1 101 101 THR CA C 13 66.54 0.11 . 1 . . . . 101 THR CA . 15094 1 653 . 1 1 101 101 THR CB C 13 68.67 0.17 . 1 . . . . 101 THR CB . 15094 1 654 . 1 1 101 101 THR CG2 C 13 21.94 0.17 . 1 . . . . 101 THR CG2 . 15094 1 655 . 1 1 101 101 THR N N 15 123.67 0.39 . 1 . . . . 101 THR N . 15094 1 656 . 1 1 102 102 ASP H H 1 8.14 0.07 . 1 . . . . 102 ASP H . 15094 1 657 . 1 1 102 102 ASP C C 13 179.12 0.16 . 1 . . . . 102 ASP C . 15094 1 658 . 1 1 102 102 ASP CA C 13 57.62 0.11 . 1 . . . . 102 ASP CA . 15094 1 659 . 1 1 102 102 ASP CB C 13 40.25 0.17 . 1 . . . . 102 ASP CB . 15094 1 660 . 1 1 102 102 ASP CG C 13 179.59 0.16 . 1 . . . . 102 ASP CG . 15094 1 661 . 1 1 102 102 ASP N N 15 123.52 0.39 . 1 . . . . 102 ASP N . 15094 1 662 . 1 1 103 103 TYR H H 1 8.67 0.07 . 1 . . . . 103 TYR H . 15094 1 663 . 1 1 103 103 TYR HA H 1 3.82 0.07 . 1 . . . . 103 TYR HA . 15094 1 664 . 1 1 103 103 TYR C C 13 177.35 0.16 . 1 . . . . 103 TYR C . 15094 1 665 . 1 1 103 103 TYR CA C 13 63.03 0.11 . 1 . . . . 103 TYR CA . 15094 1 666 . 1 1 103 103 TYR CB C 13 38.24 0.17 . 1 . . . . 103 TYR CB . 15094 1 667 . 1 1 103 103 TYR N N 15 125.42 0.39 . 1 . . . . 103 TYR N . 15094 1 668 . 1 1 104 104 LEU H H 1 8.71 0.07 . 1 . . . . 104 LEU H . 15094 1 669 . 1 1 104 104 LEU C C 13 180.34 0.16 . 1 . . . . 104 LEU C . 15094 1 670 . 1 1 104 104 LEU CA C 13 58.06 0.11 . 1 . . . . 104 LEU CA . 15094 1 671 . 1 1 104 104 LEU CB C 13 40.7 0.17 . 1 . . . . 104 LEU CB . 15094 1 672 . 1 1 104 104 LEU N N 15 118.6 0.39 . 1 . . . . 104 LEU N . 15094 1 673 . 1 1 105 105 SER H H 1 8.35 0.07 . 1 . . . . 105 SER H . 15094 1 674 . 1 1 105 105 SER C C 13 176.74 0.16 . 1 . . . . 105 SER C . 15094 1 675 . 1 1 105 105 SER CA C 13 61.85 0.11 . 1 . . . . 105 SER CA . 15094 1 676 . 1 1 105 105 SER CB C 13 66.95 0.17 . 1 . . . . 105 SER CB . 15094 1 677 . 1 1 105 105 SER N N 15 117.03 0.39 . 1 . . . . 105 SER N . 15094 1 678 . 1 1 106 106 TRP H H 1 7.95 0.07 . 1 . . . . 106 TRP H . 15094 1 679 . 1 1 106 106 TRP HA H 1 4.13 0.07 . 1 . . . . 106 TRP HA . 15094 1 680 . 1 1 106 106 TRP HB2 H 1 3.396 0.07 . 2 . . . . 106 TRP HB2 . 15094 1 681 . 1 1 106 106 TRP HB3 H 1 3.155 0.07 . 2 . . . . 106 TRP HB3 . 15094 1 682 . 1 1 106 106 TRP HD1 H 1 7.22 0.07 . 1 . . . . 106 TRP HD1 . 15094 1 683 . 1 1 106 106 TRP HE1 H 1 9.9 0.07 . 1 . . . . 106 TRP HE1 . 15094 1 684 . 1 1 106 106 TRP HZ2 H 1 7.57 0.07 . 1 . . . . 106 TRP HZ2 . 15094 1 685 . 1 1 106 106 TRP HH2 H 1 6.99 0.07 . 1 . . . . 106 TRP HH2 . 15094 1 686 . 1 1 106 106 TRP C C 13 178.28 0.16 . 1 . . . . 106 TRP C . 15094 1 687 . 1 1 106 106 TRP CA C 13 61.71 0.11 . 1 . . . . 106 TRP CA . 15094 1 688 . 1 1 106 106 TRP CB C 13 27.5 0.17 . 1 . . . . 106 TRP CB . 15094 1 689 . 1 1 106 106 TRP N N 15 126.3 0.39 . 1 . . . . 106 TRP N . 15094 1 690 . 1 1 106 106 TRP NE1 N 15 131.01 0.39 . 1 . . . . 106 TRP NE1 . 15094 1 691 . 1 1 107 107 LEU H H 1 8.56 0.07 . 1 . . . . 107 LEU H . 15094 1 692 . 1 1 107 107 LEU HA H 1 4.15 0.07 . 1 . . . . 107 LEU HA . 15094 1 693 . 1 1 107 107 LEU HB2 H 1 2.12 0.07 . 2 . . . . 107 LEU HB2 . 15094 1 694 . 1 1 107 107 LEU HB3 H 1 1.83 0.07 . 2 . . . . 107 LEU HB3 . 15094 1 695 . 1 1 107 107 LEU C C 13 178.21 0.16 . 1 . . . . 107 LEU C . 15094 1 696 . 1 1 107 107 LEU CA C 13 58.5 0.11 . 1 . . . . 107 LEU CA . 15094 1 697 . 1 1 107 107 LEU CB C 13 42.21 0.17 . 1 . . . . 107 LEU CB . 15094 1 698 . 1 1 107 107 LEU N N 15 123.73 0.39 . 1 . . . . 107 LEU N . 15094 1 699 . 1 1 108 108 ASN H H 1 7.55 0.07 . 1 . . . . 108 ASN H . 15094 1 700 . 1 1 108 108 ASN HD21 H 1 6.97 0.07 . 2 . . . . 108 ASN HD21 . 15094 1 701 . 1 1 108 108 ASN HD22 H 1 7.39 0.07 . 2 . . . . 108 ASN HD22 . 15094 1 702 . 1 1 108 108 ASN C C 13 178.11 0.16 . 1 . . . . 108 ASN C . 15094 1 703 . 1 1 108 108 ASN CA C 13 56.66 0.11 . 1 . . . . 108 ASN CA . 15094 1 704 . 1 1 108 108 ASN CB C 13 39.57 0.17 . 1 . . . . 108 ASN CB . 15094 1 705 . 1 1 108 108 ASN CG C 13 176.34 0.16 . 1 . . . . 108 ASN CG . 15094 1 706 . 1 1 108 108 ASN N N 15 114.75 0.39 . 1 . . . . 108 ASN N . 15094 1 707 . 1 1 108 108 ASN ND2 N 15 112.72 0.39 . 1 . . . . 108 ASN ND2 . 15094 1 708 . 1 1 109 109 ALA H H 1 8.17 0.07 . 1 . . . . 109 ALA H . 15094 1 709 . 1 1 109 109 ALA HA H 1 4.07 0.07 . 1 . . . . 109 ALA HA . 15094 1 710 . 1 1 109 109 ALA HB1 H 1 0.85 0.07 . 1 . . . . 109 ALA HB . 15094 1 711 . 1 1 109 109 ALA HB2 H 1 0.85 0.07 . 1 . . . . 109 ALA HB . 15094 1 712 . 1 1 109 109 ALA HB3 H 1 0.85 0.07 . 1 . . . . 109 ALA HB . 15094 1 713 . 1 1 109 109 ALA C C 13 179.78 0.16 . 1 . . . . 109 ALA C . 15094 1 714 . 1 1 109 109 ALA CA C 13 54.5 0.11 . 1 . . . . 109 ALA CA . 15094 1 715 . 1 1 109 109 ALA CB C 13 17.94 0.17 . 1 . . . . 109 ALA CB . 15094 1 716 . 1 1 109 109 ALA N N 15 122.25 0.39 . 1 . . . . 109 ALA N . 15094 1 717 . 1 1 110 110 SER H H 1 7.56 0.07 . 1 . . . . 110 SER H . 15094 1 718 . 1 1 110 110 SER C C 13 173.7 0.16 . 1 . . . . 110 SER C . 15094 1 719 . 1 1 110 110 SER CA C 13 60.6 0.11 . 1 . . . . 110 SER CA . 15094 1 720 . 1 1 110 110 SER CB C 13 63.09 0.17 . 1 . . . . 110 SER CB . 15094 1 721 . 1 1 110 110 SER N N 15 114.05 0.39 . 1 . . . . 110 SER N . 15094 1 722 . 1 1 111 111 LEU H H 1 6.69 0.07 . 1 . . . . 111 LEU H . 15094 1 723 . 1 1 111 111 LEU HA H 1 4.69 0.07 . 1 . . . . 111 LEU HA . 15094 1 724 . 1 1 111 111 LEU C C 13 176.31 0.16 . 1 . . . . 111 LEU C . 15094 1 725 . 1 1 111 111 LEU CA C 13 53.56 0.11 . 1 . . . . 111 LEU CA . 15094 1 726 . 1 1 111 111 LEU CB C 13 42.06 0.17 . 1 . . . . 111 LEU CB . 15094 1 727 . 1 1 111 111 LEU N N 15 119.08 0.39 . 1 . . . . 111 LEU N . 15094 1 728 . 1 1 112 112 ARG H H 1 7.44 0.07 . 1 . . . . 112 ARG H . 15094 1 729 . 1 1 112 112 ARG CA C 13 58.45 0.11 . 1 . . . . 112 ARG CA . 15094 1 730 . 1 1 112 112 ARG N N 15 125.8 0.39 . 1 . . . . 112 ARG N . 15094 1 stop_ save_