################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7241 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Text describing the reported assigned chemical shifts.' _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 '1H15N HSQC' 1 $sample_1 isotropic 7241 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 . $SPARKY . . 7241 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.09 0.01 . 1 . . . . 1 GLY H . 7241 1 2 . 1 1 1 1 GLY HA2 H 1 3.80 0.01 . 1 . . . . 1 GLY HA2 . 7241 1 3 . 1 1 1 1 GLY HA3 H 1 3.80 0.01 . 1 . . . . 1 GLY HA3 . 7241 1 4 . 1 1 1 1 GLY CA C 13 40.57 0.05 . 1 . . . . 1 GLY CA . 7241 1 5 . 1 1 1 1 GLY N N 15 119.80 0.1 . 1 . . . . 1 GLY N . 7241 1 6 . 1 1 2 2 SER H H 1 8.56 0.01 . 1 . . . . 2 SER H . 7241 1 7 . 1 1 2 2 SER HA H 1 4.40 0.01 . 1 . . . . 2 SER HA . 7241 1 8 . 1 1 2 2 SER HB2 H 1 3.74 0.01 . 2 . . . . 2 SER HB2 . 7241 1 9 . 1 1 2 2 SER CA C 13 55.59 0.05 . 1 . . . . 2 SER CA . 7241 1 10 . 1 1 2 2 SER CB C 13 61.2 0.05 . 1 . . . . 2 SER CB . 7241 1 11 . 1 1 2 2 SER N N 15 115.8 0.1 . 1 . . . . 2 SER N . 7241 1 12 . 1 1 3 3 GLN H H 1 8.44 0.01 . 1 . . . . 3 GLN H . 7241 1 13 . 1 1 3 3 GLN HA H 1 4.19 0.01 . 1 . . . . 3 GLN HA . 7241 1 14 . 1 1 3 3 GLN HB2 H 1 2.08 0.01 . 2 . . . . 3 GLN HB2 . 7241 1 15 . 1 1 3 3 GLN HB3 H 1 1.82 0.01 . 2 . . . . 3 GLN HB3 . 7241 1 16 . 1 1 3 3 GLN CA C 13 53.04 0.05 . 1 . . . . 3 GLN CA . 7241 1 17 . 1 1 3 3 GLN CB C 13 26.48 0.05 . 1 . . . . 3 GLN CB . 7241 1 18 . 1 1 3 3 GLN CG C 13 31.02 0.05 . 1 . . . . 3 GLN CG . 7241 1 19 . 1 1 3 3 GLN N N 15 122.6 0.1 . 1 . . . . 3 GLN N . 7241 1 20 . 1 1 4 4 VAL HA H 1 3.87 0.01 . 1 . . . . 4 VAL HA . 7241 1 21 . 1 1 4 4 VAL HB H 1 1.72 0.01 . 1 . . . . 4 VAL HB . 7241 1 22 . 1 1 4 4 VAL HG11 H 1 0.68 0.01 . 2 . . . . 4 VAL HG11 . 7241 1 23 . 1 1 4 4 VAL HG12 H 1 0.68 0.01 . 2 . . . . 4 VAL HG12 . 7241 1 24 . 1 1 4 4 VAL HG13 H 1 0.68 0.01 . 2 . . . . 4 VAL HG13 . 7241 1 25 . 1 1 4 4 VAL HG21 H 1 0.52 0.01 . 2 . . . . 4 VAL HG21 . 7241 1 26 . 1 1 4 4 VAL HG22 H 1 0.52 0.01 . 2 . . . . 4 VAL HG22 . 7241 1 27 . 1 1 4 4 VAL HG23 H 1 0.52 0.01 . 2 . . . . 4 VAL HG23 . 7241 1 28 . 1 1 4 4 VAL CA C 13 60.01 0.05 . 1 . . . . 4 VAL CA . 7241 1 29 . 1 1 4 4 VAL CB C 13 30.01 0.05 . 1 . . . . 4 VAL CB . 7241 1 30 . 1 1 4 4 VAL N N 15 121.84 0.1 . 1 . . . . 4 VAL N . 7241 1 31 . 1 1 5 5 PHE H H 1 8.05 0.01 . 1 . . . . 5 PHE H . 7241 1 32 . 1 1 5 5 PHE HA H 1 5.4 0.01 . 1 . . . . 5 PHE HA . 7241 1 33 . 1 1 5 5 PHE HB2 H 1 2.56 0.01 . 1 . . . . 5 PHE HB2 . 7241 1 34 . 1 1 5 5 PHE HB3 H 1 2.56 0.01 . 1 . . . . 5 PHE HB3 . 7241 1 35 . 1 1 5 5 PHE CA C 13 53.85 0.05 . 1 . . . . 5 PHE CA . 7241 1 36 . 1 1 5 5 PHE CB C 13 39.14 0.05 . 1 . . . . 5 PHE CB . 7241 1 37 . 1 1 5 5 PHE N N 15 120.5 0.1 . 1 . . . . 5 PHE N . 7241 1 38 . 1 1 6 6 GLU H H 1 9.06 0.01 . 1 . . . . 6 GLU H . 7241 1 39 . 1 1 6 6 GLU HA H 1 4.76 0.01 . 1 . . . . 6 GLU HA . 7241 1 40 . 1 1 6 6 GLU HB2 H 1 2.83 0.01 . 2 . . . . 6 GLU HB2 . 7241 1 41 . 1 1 6 6 GLU HB3 H 1 2.56 0.01 . 2 . . . . 6 GLU HB3 . 7241 1 42 . 1 1 6 6 GLU CA C 13 50.70 0.05 . 1 . . . . 6 GLU CA . 7241 1 43 . 1 1 6 6 GLU CB C 13 31.64 0.05 . 1 . . . . 6 GLU CB . 7241 1 44 . 1 1 6 6 GLU N N 15 118.2 0.1 . 1 . . . . 6 GLU N . 7241 1 45 . 1 1 7 7 TYR H H 1 8.66 0.01 . 1 . . . . 7 TYR H . 7241 1 46 . 1 1 7 7 TYR HA H 1 4.89 0.01 . 1 . . . . 7 TYR HA . 7241 1 47 . 1 1 7 7 TYR HB2 H 1 2.88 0.01 . 2 . . . . 7 TYR HB2 . 7241 1 48 . 1 1 7 7 TYR HB3 H 1 2.67 0.01 . 2 . . . . 7 TYR HB3 . 7241 1 49 . 1 1 7 7 TYR CA C 13 55.41 0.05 . 1 . . . . 7 TYR CA . 7241 1 50 . 1 1 7 7 TYR CB C 13 34.72 0.05 . 1 . . . . 7 TYR CB . 7241 1 51 . 1 1 7 7 TYR N N 15 120.12 0.1 . 1 . . . . 7 TYR N . 7241 1 52 . 1 1 8 8 ALA H H 1 8.42 0.01 . 1 . . . . 8 ALA H . 7241 1 53 . 1 1 8 8 ALA HA H 1 4.69 0.01 . 1 . . . . 8 ALA HA . 7241 1 54 . 1 1 8 8 ALA HB1 H 1 0.97 0.01 . 1 . . . . 8 ALA HB1 . 7241 1 55 . 1 1 8 8 ALA HB2 H 1 0.97 0.01 . 1 . . . . 8 ALA HB2 . 7241 1 56 . 1 1 8 8 ALA HB3 H 1 0.97 0.01 . 1 . . . . 8 ALA HB3 . 7241 1 57 . 1 1 8 8 ALA CA C 13 47.32 0.05 . 1 . . . . 8 ALA CA . 7241 1 58 . 1 1 8 8 ALA CB C 13 19.15 0.05 . 1 . . . . 8 ALA CB . 7241 1 59 . 1 1 8 8 ALA N N 15 127.22 0.1 . 1 . . . . 8 ALA N . 7241 1 60 . 1 1 9 9 GLU H H 1 8.68 0.01 . 1 . . . . 9 GLU H . 7241 1 61 . 1 1 9 9 GLU HA H 1 4.21 0.01 . 1 . . . . 9 GLU HA . 7241 1 62 . 1 1 9 9 GLU HB2 H 1 1.90 0.01 . 2 . . . . 9 GLU HB2 . 7241 1 63 . 1 1 9 9 GLU HG2 H 1 2.41 0.01 . 2 . . . . 9 GLU HG2 . 7241 1 64 . 1 1 9 9 GLU HG3 H 1 2.17 0.01 . 2 . . . . 9 GLU HG3 . 7241 1 65 . 1 1 9 9 GLU CA C 13 55.48 0.05 . 1 . . . . 9 GLU CA . 7241 1 66 . 1 1 9 9 GLU CB C 13 27.72 0.05 . 1 . . . . 9 GLU CB . 7241 1 67 . 1 1 9 9 GLU N N 15 119.0 0.1 . 1 . . . . 9 GLU N . 7241 1 68 . 1 1 10 10 VAL H H 1 8.38 0.01 . 1 . . . . 10 VAL H . 7241 1 69 . 1 1 10 10 VAL HA H 1 3.68 0.01 . 1 . . . . 10 VAL HA . 7241 1 70 . 1 1 10 10 VAL HB H 1 1.68 0.01 . 1 . . . . 10 VAL HB . 7241 1 71 . 1 1 10 10 VAL HG11 H 1 0.81 0.01 . 2 . . . . 10 VAL HG11 . 7241 1 72 . 1 1 10 10 VAL HG12 H 1 0.81 0.01 . 2 . . . . 10 VAL HG12 . 7241 1 73 . 1 1 10 10 VAL HG13 H 1 0.81 0.01 . 2 . . . . 10 VAL HG13 . 7241 1 74 . 1 1 10 10 VAL HG21 H 1 0.43 0.01 . 2 . . . . 10 VAL HG21 . 7241 1 75 . 1 1 10 10 VAL HG22 H 1 0.43 0.01 . 2 . . . . 10 VAL HG22 . 7241 1 76 . 1 1 10 10 VAL HG23 H 1 0.43 0.01 . 2 . . . . 10 VAL HG23 . 7241 1 77 . 1 1 10 10 VAL CA C 13 60.5 0.05 . 1 . . . . 10 VAL CA . 7241 1 78 . 1 1 10 10 VAL CB C 13 30.84 0.05 . 1 . . . . 10 VAL CB . 7241 1 79 . 1 1 10 10 VAL CG1 C 13 20.04 0.05 . 1 . . . . 10 VAL CG1 . 7241 1 80 . 1 1 10 10 VAL CG2 C 13 20.04 0.05 . 1 . . . . 10 VAL CG2 . 7241 1 81 . 1 1 10 10 VAL N N 15 126.97 0.1 . 1 . . . . 10 VAL N . 7241 1 82 . 1 1 11 11 ASP H H 1 9.23 0.01 . 1 . . . . 11 ASP H . 7241 1 83 . 1 1 11 11 ASP HA H 1 4.52 0.01 . 1 . . . . 11 ASP HA . 7241 1 84 . 1 1 11 11 ASP HB2 H 1 2.23 0.01 . 2 . . . . 11 ASP HB2 . 7241 1 85 . 1 1 11 11 ASP HB3 H 1 2.02 0.01 . 2 . . . . 11 ASP HB3 . 7241 1 86 . 1 1 11 11 ASP CA C 13 52.94 0.05 . 1 . . . . 11 ASP CA . 7241 1 87 . 1 1 11 11 ASP CB C 13 39.9 0.05 . 1 . . . . 11 ASP CB . 7241 1 88 . 1 1 11 11 ASP N N 15 127.06 0.1 . 1 . . . . 11 ASP N . 7241 1 89 . 1 1 12 12 GLU H H 1 7.12 0.01 . 1 . . . . 12 GLU H . 7241 1 90 . 1 1 12 12 GLU HA H 1 4.29 0.01 . 1 . . . . 12 GLU HA . 7241 1 91 . 1 1 12 12 GLU HB2 H 1 1.84 0.01 . 2 . . . . 12 GLU HB2 . 7241 1 92 . 1 1 12 12 GLU HB3 H 1 1.64 0.01 . 2 . . . . 12 GLU HB3 . 7241 1 93 . 1 1 12 12 GLU CA C 13 51.51 0.05 . 1 . . . . 12 GLU CA . 7241 1 94 . 1 1 12 12 GLU CB C 13 29.2 0.05 . 1 . . . . 12 GLU CB . 7241 1 95 . 1 1 12 12 GLU CG C 13 31.66 0.05 . 1 . . . . 12 GLU CG . 7241 1 96 . 1 1 12 12 GLU N N 15 111.5 0.1 . 1 . . . . 12 GLU N . 7241 1 97 . 1 1 13 13 ILE H H 1 8.68 0.01 . 1 . . . . 13 ILE H . 7241 1 98 . 1 1 13 13 ILE HA H 1 3.99 0.01 . 1 . . . . 13 ILE HA . 7241 1 99 . 1 1 13 13 ILE HB H 1 1.04 0.01 . 1 . . . . 13 ILE HB . 7241 1 100 . 1 1 13 13 ILE HD11 H 1 -0.99 0.01 . 1 . . . . 13 ILE HD11 . 7241 1 101 . 1 1 13 13 ILE HD12 H 1 -0.99 0.01 . 1 . . . . 13 ILE HD12 . 7241 1 102 . 1 1 13 13 ILE HD13 H 1 -0.99 0.01 . 1 . . . . 13 ILE HD13 . 7241 1 103 . 1 1 13 13 ILE CA C 13 57.74 0.05 . 1 . . . . 13 ILE CA . 7241 1 104 . 1 1 13 13 ILE CB C 13 35.02 0.05 . 1 . . . . 13 ILE CB . 7241 1 105 . 1 1 13 13 ILE CG2 C 13 14.32 0.05 . 1 . . . . 13 ILE CG2 . 7241 1 106 . 1 1 13 13 ILE CD1 C 13 9.76 0.05 . 1 . . . . 13 ILE CD1 . 7241 1 107 . 1 1 13 13 ILE N N 15 122.0 0.1 . 1 . . . . 13 ILE N . 7241 1 108 . 1 1 14 14 VAL H H 1 8.68 0.01 . 1 . . . . 14 VAL H . 7241 1 109 . 1 1 14 14 VAL HA H 1 3.90 0.01 . 1 . . . . 14 VAL HA . 7241 1 110 . 1 1 14 14 VAL HB H 1 1.65 0.01 . 1 . . . . 14 VAL HB . 7241 1 111 . 1 1 14 14 VAL HG11 H 1 0.72 0.01 . 2 . . . . 14 VAL HG11 . 7241 1 112 . 1 1 14 14 VAL HG12 H 1 0.72 0.01 . 2 . . . . 14 VAL HG12 . 7241 1 113 . 1 1 14 14 VAL HG13 H 1 0.72 0.01 . 2 . . . . 14 VAL HG13 . 7241 1 114 . 1 1 14 14 VAL HG21 H 1 0.57 0.01 . 2 . . . . 14 VAL HG21 . 7241 1 115 . 1 1 14 14 VAL HG22 H 1 0.57 0.01 . 2 . . . . 14 VAL HG22 . 7241 1 116 . 1 1 14 14 VAL HG23 H 1 0.57 0.01 . 2 . . . . 14 VAL HG23 . 7241 1 117 . 1 1 14 14 VAL CA C 13 60.21 0.01 . 1 . . . . 14 VAL CA . 7241 1 118 . 1 1 14 14 VAL CB C 13 30.56 0.01 . 1 . . . . 14 VAL CB . 7241 1 119 . 1 1 14 14 VAL CG1 C 13 18.39 0.01 . 2 . . . . 14 VAL CG1 . 7241 1 120 . 1 1 14 14 VAL N N 15 122.10 0.01 . 1 . . . . 14 VAL N . 7241 1 121 . 1 1 15 15 GLU H H 1 7.04 0.01 . 1 . . . . 15 GLU H . 7241 1 122 . 1 1 15 15 GLU HA H 1 4.54 0.01 . 1 . . . . 15 GLU HA . 7241 1 123 . 1 1 15 15 GLU HB2 H 1 1.93 0.01 . 1 . . . . 15 GLU HB2 . 7241 1 124 . 1 1 15 15 GLU HB3 H 1 1.93 0.01 . 1 . . . . 15 GLU HB3 . 7241 1 125 . 1 1 15 15 GLU HG2 H 1 2.34 0.01 . 1 . . . . 15 GLU HG2 . 7241 1 126 . 1 1 15 15 GLU HG3 H 1 2.34 0.01 . 1 . . . . 15 GLU HG3 . 7241 1 127 . 1 1 15 15 GLU CA C 13 52.78 0.05 . 1 . . . . 15 GLU CA . 7241 1 128 . 1 1 15 15 GLU CB C 13 31.26 0.05 . 1 . . . . 15 GLU CB . 7241 1 129 . 1 1 15 15 GLU CG C 13 34.09 0.05 . 1 . . . . 15 GLU CG . 7241 1 130 . 1 1 15 15 GLU N N 15 117.90 0.1 . 1 . . . . 15 GLU N . 7241 1 131 . 1 1 16 16 LYS H H 1 8.68 0.01 . 1 . . . . 16 LYS H . 7241 1 132 . 1 1 16 16 LYS HA H 1 5.58 0.01 . 1 . . . . 16 LYS HA . 7241 1 133 . 1 1 16 16 LYS HB2 H 1 1.80 0.01 . 1 . . . . 16 LYS HB2 . 7241 1 134 . 1 1 16 16 LYS HB3 H 1 1.80 0.01 . 1 . . . . 16 LYS HB3 . 7241 1 135 . 1 1 16 16 LYS HG2 H 1 1.14 0.01 . 1 . . . . 16 LYS HG2 . 7241 1 136 . 1 1 16 16 LYS HG3 H 1 1.14 0.01 . 1 . . . . 16 LYS HG3 . 7241 1 137 . 1 1 16 16 LYS HD2 H 1 1.43 0.01 . 1 . . . . 16 LYS HD2 . 7241 1 138 . 1 1 16 16 LYS HD3 H 1 1.43 0.01 . 1 . . . . 16 LYS HD3 . 7241 1 139 . 1 1 16 16 LYS CA C 13 52.38 0.05 . 1 . . . . 16 LYS CA . 7241 1 140 . 1 1 16 16 LYS CB C 13 34.94 0.05 . 1 . . . . 16 LYS CB . 7241 1 141 . 1 1 16 16 LYS CG C 13 21.21 0.05 . 1 . . . . 16 LYS CG . 7241 1 142 . 1 1 16 16 LYS CD C 13 27.91 0.05 . 1 . . . . 16 LYS CD . 7241 1 143 . 1 1 16 16 LYS N N 15 121.00 0.01 . 1 . . . . 16 LYS N . 7241 1 144 . 1 1 17 17 ARG H H 1 9.07 0.01 . 1 . . . . 17 ARG H . 7241 1 145 . 1 1 17 17 ARG HA H 1 4.72 0.01 . 1 . . . . 17 ARG HA . 7241 1 146 . 1 1 17 17 ARG HB2 H 1 1.65 0.01 . 2 . . . . 17 ARG HB2 . 7241 1 147 . 1 1 17 17 ARG HB3 H 1 1.43 0.01 . 2 . . . . 17 ARG HB3 . 7241 1 148 . 1 1 17 17 ARG HG2 H 1 1.09 0.01 . 2 . . . . 17 ARG HG2 . 7241 1 149 . 1 1 17 17 ARG CA C 13 52.28 0.05 . 1 . . . . 17 ARG CA . 7241 1 150 . 1 1 17 17 ARG CB C 13 29.99 0.05 . 1 . . . . 17 ARG CB . 7241 1 151 . 1 1 17 17 ARG CG C 13 22.06 0.05 . 1 . . . . 17 ARG CG . 7241 1 152 . 1 1 17 17 ARG CD C 13 40.03 0.05 . 1 . . . . 17 ARG CD . 7241 1 153 . 1 1 17 17 ARG N N 15 121.6 0.05 . 1 . . . . 17 ARG N . 7241 1 154 . 1 1 18 18 GLY H H 1 8.22 0.01 . 1 . . . . 18 GLY H . 7241 1 155 . 1 1 18 18 GLY HA2 H 1 4.14 0.01 . 1 . . . . 18 GLY HA2 . 7241 1 156 . 1 1 18 18 GLY HA3 H 1 3.56 0.01 . 1 . . . . 18 GLY HA3 . 7241 1 157 . 1 1 18 18 GLY CA C 13 41.36 0.01 . 1 . . . . 18 GLY CA . 7241 1 158 . 1 1 18 18 GLY N N 15 106.68 0.01 . 1 . . . . 18 GLY N . 7241 1 159 . 1 1 19 19 LYS H H 1 7.74 0.01 . 1 . . . . 19 LYS H . 7241 1 160 . 1 1 19 19 LYS HA H 1 4.47 0.01 . 1 . . . . 19 LYS HA . 7241 1 161 . 1 1 19 19 LYS HB2 H 1 1.64 0.01 . 2 . . . . 19 LYS HB2 . 7241 1 162 . 1 1 19 19 LYS HB3 H 1 1.56 0.01 . 2 . . . . 19 LYS HB3 . 7241 1 163 . 1 1 19 19 LYS HG2 H 1 0.62 0.01 . 1 . . . . 19 LYS HG2 . 7241 1 164 . 1 1 19 19 LYS HG3 H 1 0.62 0.01 . 1 . . . . 19 LYS HG3 . 7241 1 165 . 1 1 19 19 LYS HD2 H 1 1.21 0.01 . 1 . . . . 19 LYS HD2 . 7241 1 166 . 1 1 19 19 LYS HD3 H 1 1.21 0.01 . 1 . . . . 19 LYS HD3 . 7241 1 167 . 1 1 19 19 LYS HE2 H 1 2.85 0.01 . 1 . . . . 19 LYS HE2 . 7241 1 168 . 1 1 19 19 LYS HE3 H 1 2.85 0.01 . 1 . . . . 19 LYS HE3 . 7241 1 169 . 1 1 19 19 LYS CA C 13 52.11 0.05 . 1 . . . . 19 LYS CA . 7241 1 170 . 1 1 19 19 LYS CB C 13 33.03 0.05 . 1 . . . . 19 LYS CB . 7241 1 171 . 1 1 19 19 LYS N N 15 115.36 0.1 . 1 . . . . 19 LYS N . 7241 1 172 . 1 1 20 20 GLY H H 1 8.73 0.01 . 1 . . . . 20 GLY H . 7241 1 173 . 1 1 20 20 GLY HA2 H 1 3.83 0.01 . 1 . . . . 20 GLY HA2 . 7241 1 174 . 1 1 20 20 GLY HA3 H 1 3.62 0.01 . 1 . . . . 20 GLY HA3 . 7241 1 175 . 1 1 20 20 GLY CA C 13 43.77 0.05 . 1 . . . . 20 GLY CA . 7241 1 176 . 1 1 20 20 GLY N N 15 111.3 0.1 . 1 . . . . 20 GLY N . 7241 1 177 . 1 1 21 21 LYS H H 1 8.92 0.01 . 1 . . . . 21 LYS H . 7241 1 178 . 1 1 21 21 LYS HA H 1 4.1 0.01 . 1 . . . . 21 LYS HA . 7241 1 179 . 1 1 21 21 LYS HB2 H 1 1.75 0.01 . 1 . . . . 21 LYS HB2 . 7241 1 180 . 1 1 21 21 LYS HG3 H 1 0.487 0.01 . 1 . . . . 21 LYS HG3 . 7241 1 181 . 1 1 21 21 LYS HD2 H 1 1.36 0.01 . 1 . . . . 21 LYS HD2 . 7241 1 182 . 1 1 21 21 LYS HD3 H 1 1.36 0.01 . 1 . . . . 21 LYS HD3 . 7241 1 183 . 1 1 21 21 LYS CA C 13 54.82 0.05 . 1 . . . . 21 LYS CA . 7241 1 184 . 1 1 21 21 LYS CB C 13 28.84 0.05 . 1 . . . . 21 LYS CB . 7241 1 185 . 1 1 21 21 LYS CG C 13 21.44 0.05 . 1 . . . . 21 LYS CG . 7241 1 186 . 1 1 21 21 LYS CD C 13 26.02 0.05 . 1 . . . . 21 LYS CD . 7241 1 187 . 1 1 21 21 LYS CE C 13 39.23 0.05 . 1 . . . . 21 LYS CE . 7241 1 188 . 1 1 21 21 LYS N N 15 126 0.1 . 1 . . . . 21 LYS N . 7241 1 189 . 1 1 22 22 ASP H H 1 7.88 0.01 . 1 . . . . 22 ASP H . 7241 1 190 . 1 1 22 22 ASP HA H 1 4.76 0.01 . 1 . . . . 22 ASP HA . 7241 1 191 . 1 1 22 22 ASP HB2 H 1 2.85 0.01 . 2 . . . . 22 ASP HB2 . 7241 1 192 . 1 1 22 22 ASP HB3 H 1 2.59 0.01 . 2 . . . . 22 ASP HB3 . 7241 1 193 . 1 1 22 22 ASP CA C 13 51.22 0.05 . 1 . . . . 22 ASP CA . 7241 1 194 . 1 1 22 22 ASP CB C 13 38.58 0.05 . 1 . . . . 22 ASP CB . 7241 1 195 . 1 1 22 22 ASP N N 15 118.9 0.1 . 1 . . . . 22 ASP N . 7241 1 196 . 1 1 23 23 VAL H H 1 6.83 0.01 . 1 . . . . 23 VAL H . 7241 1 197 . 1 1 23 23 VAL HA H 1 4.08 0.01 . 1 . . . . 23 VAL HA . 7241 1 198 . 1 1 23 23 VAL HB H 1 1.65 0.01 . 1 . . . . 23 VAL HB . 7241 1 199 . 1 1 23 23 VAL HG11 H 1 0.61 0.01 . 2 . . . . 23 VAL HG11 . 7241 1 200 . 1 1 23 23 VAL HG12 H 1 0.61 0.01 . 2 . . . . 23 VAL HG12 . 7241 1 201 . 1 1 23 23 VAL HG13 H 1 0.61 0.01 . 2 . . . . 23 VAL HG13 . 7241 1 202 . 1 1 23 23 VAL HG21 H 1 0.51 0.01 . 2 . . . . 23 VAL HG21 . 7241 1 203 . 1 1 23 23 VAL HG22 H 1 0.51 0.01 . 2 . . . . 23 VAL HG22 . 7241 1 204 . 1 1 23 23 VAL HG23 H 1 0.51 0.01 . 2 . . . . 23 VAL HG23 . 7241 1 205 . 1 1 23 23 VAL CA C 13 59.97 0.05 . 1 . . . . 23 VAL CA . 7241 1 206 . 1 1 23 23 VAL CB C 13 29.66 0.05 . 1 . . . . 23 VAL CB . 7241 1 207 . 1 1 23 23 VAL CG1 C 13 18.94 0.05 . 2 . . . . 23 VAL CG1 . 7241 1 208 . 1 1 23 23 VAL CG2 C 13 17.74 0.05 . 2 . . . . 23 VAL CG2 . 7241 1 209 . 1 1 23 23 VAL N N 15 120.5 0.1 . 1 . . . . 23 VAL N . 7241 1 210 . 1 1 24 24 GLU H H 1 8.92 0.01 . 1 . . . . 24 GLU H . 7241 1 211 . 1 1 24 24 GLU HA H 1 4.72 0.01 . 1 . . . . 24 GLU HA . 7241 1 212 . 1 1 24 24 GLU HB2 H 1 1.96 0.01 . 2 . . . . 24 GLU HB2 . 7241 1 213 . 1 1 24 24 GLU HB3 H 1 1.68 0.01 . 2 . . . . 24 GLU HB3 . 7241 1 214 . 1 1 24 24 GLU HG2 H 1 2.15 0.01 . 1 . . . . 24 GLU HG2 . 7241 1 215 . 1 1 24 24 GLU HG3 H 1 2.15 0.01 . 1 . . . . 24 GLU HG3 . 7241 1 216 . 1 1 24 24 GLU CA C 13 51.85 0.05 . 1 . . . . 24 GLU CA . 7241 1 217 . 1 1 24 24 GLU CB C 13 32.76 0.05 . 1 . . . . 24 GLU CB . 7241 1 218 . 1 1 24 24 GLU CG C 13 34.31 0.05 . 1 . . . . 24 GLU CG . 7241 1 219 . 1 1 24 24 GLU N N 15 126 0.1 . 1 . . . . 24 GLU N . 7241 1 220 . 1 1 25 25 TYR H H 1 9.11 0.01 . 1 . . . . 25 TYR H . 7241 1 221 . 1 1 25 25 TYR HA H 1 5.23 0.01 . 1 . . . . 25 TYR HA . 7241 1 222 . 1 1 25 25 TYR HB2 H 1 2.68 0.01 . 2 . . . . 25 TYR HB2 . 7241 1 223 . 1 1 25 25 TYR HB3 H 1 2.25 0.01 . 2 . . . . 25 TYR HB3 . 7241 1 224 . 1 1 25 25 TYR CA C 13 53.4 0.05 . 1 . . . . 25 TYR CA . 7241 1 225 . 1 1 25 25 TYR CB C 13 39.12 0.05 . 1 . . . . 25 TYR CB . 7241 1 226 . 1 1 25 25 TYR N N 15 118.52 0.1 . 1 . . . . 25 TYR N . 7241 1 227 . 1 1 26 26 LEU H H 1 8.22 0.01 . 1 . . . . 26 LEU H . 7241 1 228 . 1 1 26 26 LEU HA H 1 3.5 0.01 . 1 . . . . 26 LEU HA . 7241 1 229 . 1 1 26 26 LEU HD11 H 1 0.85 0.01 . 2 . . . . 26 LEU HD11 . 7241 1 230 . 1 1 26 26 LEU HD12 H 1 0.85 0.01 . 2 . . . . 26 LEU HD12 . 7241 1 231 . 1 1 26 26 LEU HD13 H 1 0.85 0.01 . 2 . . . . 26 LEU HD13 . 7241 1 232 . 1 1 26 26 LEU HD21 H 1 0.22 0.01 . 2 . . . . 26 LEU HD21 . 7241 1 233 . 1 1 26 26 LEU HD22 H 1 0.22 0.01 . 2 . . . . 26 LEU HD22 . 7241 1 234 . 1 1 26 26 LEU HD23 H 1 0.22 0.01 . 2 . . . . 26 LEU HD23 . 7241 1 235 . 1 1 26 26 LEU CA C 13 50.73 0.05 . 1 . . . . 26 LEU CA . 7241 1 236 . 1 1 26 26 LEU CB C 13 36.27 0.05 . 1 . . . . 26 LEU CB . 7241 1 237 . 1 1 26 26 LEU N N 15 127.6 0.1 . 1 . . . . 26 LEU N . 7241 1 238 . 1 1 27 27 VAL H H 1 8.29 0.01 . 1 . . . . 27 VAL H . 7241 1 239 . 1 1 27 27 VAL HA H 1 3.5 0.01 . 1 . . . . 27 VAL HA . 7241 1 240 . 1 1 27 27 VAL HB H 1 1.22 0.01 . 1 . . . . 27 VAL HB . 7241 1 241 . 1 1 27 27 VAL HG11 H 1 0.2 0.01 . 2 . . . . 27 VAL HG11 . 7241 1 242 . 1 1 27 27 VAL HG12 H 1 0.2 0.01 . 2 . . . . 27 VAL HG12 . 7241 1 243 . 1 1 27 27 VAL HG13 H 1 0.2 0.01 . 2 . . . . 27 VAL HG13 . 7241 1 244 . 1 1 27 27 VAL CA C 13 59.46 0.05 . 1 . . . . 27 VAL CA . 7241 1 245 . 1 1 27 27 VAL CB C 13 30.99 0.05 . 1 . . . . 27 VAL CB . 7241 1 246 . 1 1 27 27 VAL CG1 C 13 18.15 0.05 . 1 . . . . 27 VAL CG1 . 7241 1 247 . 1 1 27 27 VAL CG2 C 13 18.15 0.05 . 1 . . . . 27 VAL CG2 . 7241 1 248 . 1 1 27 27 VAL N N 15 128.3 0.1 . 1 . . . . 27 VAL N . 7241 1 249 . 1 1 28 28 ARG H H 1 8.07 0.01 . 1 . . . . 28 ARG H . 7241 1 250 . 1 1 28 28 ARG HA H 1 4.5 0.01 . 1 . . . . 28 ARG HA . 7241 1 251 . 1 1 28 28 ARG HB2 H 1 1.6 0.01 . 2 . . . . 28 ARG HB2 . 7241 1 252 . 1 1 28 28 ARG HB3 H 1 1.29 0.01 . 2 . . . . 28 ARG HB3 . 7241 1 253 . 1 1 28 28 ARG HD2 H 1 3.04 0.01 . 1 . . . . 28 ARG HD2 . 7241 1 254 . 1 1 28 28 ARG HD3 H 1 3.04 0.01 . 1 . . . . 28 ARG HD3 . 7241 1 255 . 1 1 28 28 ARG CA C 13 51.22 0.05 . 1 . . . . 28 ARG CA . 7241 1 256 . 1 1 28 28 ARG CB C 13 29.63 0.05 . 1 . . . . 28 ARG CB . 7241 1 257 . 1 1 28 28 ARG CG C 13 24.51 0.05 . 1 . . . . 28 ARG CG . 7241 1 258 . 1 1 28 28 ARG CD C 13 40.95 0.05 . 1 . . . . 28 ARG CD . 7241 1 259 . 1 1 28 28 ARG N N 15 123.1 0.1 . 1 . . . . 28 ARG N . 7241 1 260 . 1 1 29 29 TRP H H 1 8.65 0.01 . 1 . . . . 29 TRP H . 7241 1 261 . 1 1 29 29 TRP HA H 1 4.72 0.01 . 1 . . . . 29 TRP HA . 7241 1 262 . 1 1 29 29 TRP HB2 H 1 3.55 0.01 . 2 . . . . 29 TRP HB2 . 7241 1 263 . 1 1 29 29 TRP HB3 H 1 3.03 0.01 . 2 . . . . 29 TRP HB3 . 7241 1 264 . 1 1 29 29 TRP CA C 13 53.06 0.05 . 1 . . . . 29 TRP CA . 7241 1 265 . 1 1 29 29 TRP CB C 13 27.76 0.05 . 1 . . . . 29 TRP CB . 7241 1 266 . 1 1 29 29 TRP N N 15 129.8 0.1 . 1 . . . . 29 TRP N . 7241 1 267 . 1 1 30 30 LYS H H 1 8.36 0.01 . 1 . . . . 30 LYS H . 7241 1 268 . 1 1 30 30 LYS HA H 1 3.91 0.01 . 1 . . . . 30 LYS HA . 7241 1 269 . 1 1 30 30 LYS HB2 H 1 1.81 0.01 . 2 . . . . 30 LYS HB2 . 7241 1 270 . 1 1 30 30 LYS HB3 H 1 1.5 0.01 . 2 . . . . 30 LYS HB3 . 7241 1 271 . 1 1 30 30 LYS HD2 H 1 1.26 0.01 . 1 . . . . 30 LYS HD2 . 7241 1 272 . 1 1 30 30 LYS HD3 H 1 1.26 0.01 . 1 . . . . 30 LYS HD3 . 7241 1 273 . 1 1 30 30 LYS CA C 13 57.02 0.05 . 1 . . . . 30 LYS CA . 7241 1 274 . 1 1 30 30 LYS CB C 13 30.04 0.05 . 1 . . . . 30 LYS CB . 7241 1 275 . 1 1 30 30 LYS CG C 13 22.52 0.05 . 1 . . . . 30 LYS CG . 7241 1 276 . 1 1 30 30 LYS CD C 13 26.34 0.05 . 1 . . . . 30 LYS CD . 7241 1 277 . 1 1 30 30 LYS CE C 13 39.26 0.05 . 1 . . . . 30 LYS CE . 7241 1 278 . 1 1 30 30 LYS N N 15 124.3 0.1 . 1 . . . . 30 LYS N . 7241 1 279 . 1 1 31 31 ASP H H 1 8.86 0.01 . 1 . . . . 31 ASP H . 7241 1 280 . 1 1 31 31 ASP HA H 1 4.46 0.01 . 1 . . . . 31 ASP HA . 7241 1 281 . 1 1 31 31 ASP HB2 H 1 2.85 0.01 . 2 . . . . 31 ASP HB2 . 7241 1 282 . 1 1 31 31 ASP HB3 H 1 2.55 0.01 . 2 . . . . 31 ASP HB3 . 7241 1 283 . 1 1 31 31 ASP CA C 13 50.75 0.05 . 1 . . . . 31 ASP CA . 7241 1 284 . 1 1 31 31 ASP CB C 13 36.46 0.05 . 1 . . . . 31 ASP CB . 7241 1 285 . 1 1 31 31 ASP N N 15 116.13 0.05 . 1 . . . . 31 ASP N . 7241 1 286 . 1 1 32 32 GLY H H 1 7.67 0.01 . 1 . . . . 32 GLY H . 7241 1 287 . 1 1 32 32 GLY HA2 H 1 4.21 0.01 . 2 . . . . 32 GLY HA2 . 7241 1 288 . 1 1 32 32 GLY HA3 H 1 3.76 0.01 . 2 . . . . 32 GLY HA3 . 7241 1 289 . 1 1 32 32 GLY CA C 13 42.77 0.05 . 1 . . . . 32 GLY CA . 7241 1 290 . 1 1 32 32 GLY N N 15 108.0 0.1 . 1 . . . . 32 GLY N . 7241 1 291 . 1 1 33 33 GLY H H 1 8.01 0.01 . 1 . . . . 33 GLY H . 7241 1 292 . 1 1 33 33 GLY HA2 H 1 3.86 0.01 . 2 . . . . 33 GLY HA2 . 7241 1 293 . 1 1 33 33 GLY CA C 13 42.73 0.05 . 1 . . . . 33 GLY CA . 7241 1 294 . 1 1 33 33 GLY N N 15 107.7 0.1 . 1 . . . . 33 GLY N . 7241 1 295 . 1 1 34 34 ASP H H 1 8.52 0.01 . 1 . . . . 34 ASP H . 7241 1 296 . 1 1 34 34 ASP HA H 1 4.60 0.01 . 1 . . . . 34 ASP HA . 7241 1 297 . 1 1 34 34 ASP HB2 H 1 2.71 0.01 . 2 . . . . 34 ASP HB2 . 7241 1 298 . 1 1 34 34 ASP HB3 H 1 2.55 0.01 . 2 . . . . 34 ASP HB3 . 7241 1 299 . 1 1 34 34 ASP CA C 13 51.47 0.05 . 1 . . . . 34 ASP CA . 7241 1 300 . 1 1 34 34 ASP CB C 13 37.98 0.05 . 1 . . . . 34 ASP CB . 7241 1 301 . 1 1 34 34 ASP N N 15 119.76 0.1 . 1 . . . . 34 ASP N . 7241 1 302 . 1 1 35 35 CYS H H 1 8.49 0.01 . 1 . . . . 35 CYS H . 7241 1 303 . 1 1 35 35 CYS HA H 1 5.07 0.01 . 1 . . . . 35 CYS HA . 7241 1 304 . 1 1 35 35 CYS HB2 H 1 2.73 0.01 . 2 . . . . 35 CYS HB2 . 7241 1 305 . 1 1 35 35 CYS HB3 H 1 2.57 0.01 . 2 . . . . 35 CYS HB3 . 7241 1 306 . 1 1 35 35 CYS CA C 13 52.96 0.05 . 1 . . . . 35 CYS CA . 7241 1 307 . 1 1 35 35 CYS CB C 13 41.9 0.05 . 1 . . . . 35 CYS CB . 7241 1 308 . 1 1 35 35 CYS N N 15 118.64 0.1 . 1 . . . . 35 CYS N . 7241 1 309 . 1 1 36 36 GLU H H 1 8.17 0.01 . 1 . . . . 36 GLU H . 7241 1 310 . 1 1 36 36 GLU HA H 1 4.55 0.01 . 1 . . . . 36 GLU HA . 7241 1 311 . 1 1 36 36 GLU HB2 H 1 2.33 0.01 . 2 . . . . 36 GLU HB2 . 7241 1 312 . 1 1 36 36 GLU HB3 H 1 2.14 0.01 . 2 . . . . 36 GLU HB3 . 7241 1 313 . 1 1 36 36 GLU HG2 H 1 2.52 0.01 . 1 . . . . 36 GLU HG2 . 7241 1 314 . 1 1 36 36 GLU HG3 H 1 2.52 0.01 . 1 . . . . 36 GLU HG3 . 7241 1 315 . 1 1 36 36 GLU CA C 13 52.34 0.05 . 1 . . . . 36 GLU CA . 7241 1 316 . 1 1 36 36 GLU CB C 13 32.46 0.05 . 1 . . . . 36 GLU CB . 7241 1 317 . 1 1 36 36 GLU CG C 13 33.56 0.05 . 1 . . . . 36 GLU CG . 7241 1 318 . 1 1 36 36 GLU N N 15 120.85 0.1 . 1 . . . . 36 GLU N . 7241 1 319 . 1 1 37 37 TRP H H 1 8.73 0.01 . 1 . . . . 37 TRP H . 7241 1 320 . 1 1 37 37 TRP HA H 1 4.87 0.01 . 1 . . . . 37 TRP HA . 7241 1 321 . 1 1 37 37 TRP HB2 H 1 2.95 0.01 . 2 . . . . 37 TRP HB2 . 7241 1 322 . 1 1 37 37 TRP HB3 H 1 2.77 0.01 . 2 . . . . 37 TRP HB3 . 7241 1 323 . 1 1 37 37 TRP CA C 13 54.73 0.05 . 1 . . . . 37 TRP CA . 7241 1 324 . 1 1 37 37 TRP CB C 13 26.26 0.05 . 1 . . . . 37 TRP CB . 7241 1 325 . 1 1 37 37 TRP N N 15 125.36 0.1 . 1 . . . . 37 TRP N . 7241 1 326 . 1 1 38 38 VAL H H 1 9.85 0.01 . 1 . . . . 38 VAL H . 7241 1 327 . 1 1 38 38 VAL HA H 1 4.43 0.01 . 1 . . . . 38 VAL HA . 7241 1 328 . 1 1 38 38 VAL HB H 1 1.8 0.01 . 1 . . . . 38 VAL HB . 7241 1 329 . 1 1 38 38 VAL HG11 H 1 1.35 0.01 . 2 . . . . 38 VAL HG11 . 7241 1 330 . 1 1 38 38 VAL HG12 H 1 1.35 0.01 . 2 . . . . 38 VAL HG12 . 7241 1 331 . 1 1 38 38 VAL HG13 H 1 1.35 0.01 . 2 . . . . 38 VAL HG13 . 7241 1 332 . 1 1 38 38 VAL HG21 H 1 1.05 0.01 . 2 . . . . 38 VAL HG21 . 7241 1 333 . 1 1 38 38 VAL HG22 H 1 1.05 0.01 . 2 . . . . 38 VAL HG22 . 7241 1 334 . 1 1 38 38 VAL HG23 H 1 1.05 0.01 . 2 . . . . 38 VAL HG23 . 7241 1 335 . 1 1 38 38 VAL CA C 13 58.77 0.05 . 1 . . . . 38 VAL CA . 7241 1 336 . 1 1 38 38 VAL CB C 13 32.52 0.05 . 1 . . . . 38 VAL CB . 7241 1 337 . 1 1 38 38 VAL CG1 C 13 19.99 0.05 . 1 . . . . 38 VAL CG1 . 7241 1 338 . 1 1 38 38 VAL CG2 C 13 18.82 0.05 . 1 . . . . 38 VAL CG2 . 7241 1 339 . 1 1 38 38 VAL N N 15 128 0.1 . 1 . . . . 38 VAL N . 7241 1 340 . 1 1 39 39 LYS H H 1 9.01 0.01 . 1 . . . . 39 LYS H . 7241 1 341 . 1 1 39 39 LYS HA H 1 4.24 0.01 . 1 . . . . 39 LYS HA . 7241 1 342 . 1 1 39 39 LYS HB2 H 1 1.91 0.01 . 2 . . . . 39 LYS HB2 . 7241 1 343 . 1 1 39 39 LYS HB3 H 1 1.71 0.01 . 2 . . . . 39 LYS HB3 . 7241 1 344 . 1 1 39 39 LYS CA C 13 55.36 0.05 . 1 . . . . 39 LYS CA . 7241 1 345 . 1 1 39 39 LYS CB C 13 29.96 0.05 . 1 . . . . 39 LYS CB . 7241 1 346 . 1 1 39 39 LYS CG C 13 22.79 0.05 . 1 . . . . 39 LYS CG . 7241 1 347 . 1 1 39 39 LYS CD C 13 26.33 0.05 . 1 . . . . 39 LYS CD . 7241 1 348 . 1 1 39 39 LYS CE C 13 39.21 0.05 . 1 . . . . 39 LYS CE . 7241 1 349 . 1 1 39 39 LYS N N 15 126.9 0.1 . 1 . . . . 39 LYS N . 7241 1 350 . 1 1 40 40 GLY H H 1 8.83 0.01 . 1 . . . . 40 GLY H . 7241 1 351 . 1 1 40 40 GLY HA2 H 1 3.76 0.01 . 1 . . . . 40 GLY HA2 . 7241 1 352 . 1 1 40 40 GLY HA3 H 1 3.76 0.01 . 1 . . . . 40 GLY HA3 . 7241 1 353 . 1 1 40 40 GLY CA C 13 45.63 0.05 . 1 . . . . 40 GLY CA . 7241 1 354 . 1 1 40 40 GLY N N 15 111.2 0.1 . 1 . . . . 40 GLY N . 7241 1 355 . 1 1 41 41 VAL H H 1 7.44 0.01 . 1 . . . . 41 VAL H . 7241 1 356 . 1 1 41 41 VAL HA H 1 4.08 0.01 . 1 . . . . 41 VAL HA . 7241 1 357 . 1 1 41 41 VAL HB H 1 2.01 0.01 . 1 . . . . 41 VAL HB . 7241 1 358 . 1 1 41 41 VAL HG11 H 1 0.68 0.01 . 2 . . . . 41 VAL HG11 . 7241 1 359 . 1 1 41 41 VAL HG12 H 1 0.68 0.01 . 2 . . . . 41 VAL HG12 . 7241 1 360 . 1 1 41 41 VAL HG13 H 1 0.68 0.01 . 2 . . . . 41 VAL HG13 . 7241 1 361 . 1 1 41 41 VAL HG21 H 1 0.38 0.01 . 2 . . . . 41 VAL HG21 . 7241 1 362 . 1 1 41 41 VAL HG22 H 1 0.38 0.01 . 2 . . . . 41 VAL HG22 . 7241 1 363 . 1 1 41 41 VAL HG23 H 1 0.38 0.01 . 2 . . . . 41 VAL HG23 . 7241 1 364 . 1 1 41 41 VAL CA C 13 60.89 0.05 . 1 . . . . 41 VAL CA . 7241 1 365 . 1 1 41 41 VAL CB C 13 28.08 0.05 . 1 . . . . 41 VAL CB . 7241 1 366 . 1 1 41 41 VAL CG1 C 13 17.8 0.05 . 1 . . . . 41 VAL CG1 . 7241 1 367 . 1 1 41 41 VAL CG2 C 13 15.55 0.05 . 1 . . . . 41 VAL CG2 . 7241 1 368 . 1 1 41 41 VAL N N 15 112.26 0.1 . 1 . . . . 41 VAL N . 7241 1 369 . 1 1 42 42 HIS H H 1 8.27 0.01 . 1 . . . . 42 HIS H . 7241 1 370 . 1 1 42 42 HIS HA H 1 5.23 0.01 . 1 . . . . 42 HIS HA . 7241 1 371 . 1 1 42 42 HIS HB2 H 1 3.53 0.01 . 2 . . . . 42 HIS HB2 . 7241 1 372 . 1 1 42 42 HIS HB3 H 1 3.15 0.01 . 2 . . . . 42 HIS HB3 . 7241 1 373 . 1 1 42 42 HIS CA C 13 52.16 0.05 . 1 . . . . 42 HIS CA . 7241 1 374 . 1 1 42 42 HIS CB C 13 28.57 0.05 . 1 . . . . 42 HIS CB . 7241 1 375 . 1 1 42 42 HIS N N 15 118.8 0.1 . 1 . . . . 42 HIS N . 7241 1 376 . 1 1 43 43 VAL H H 1 7.66 0.01 . 1 . . . . 43 VAL H . 7241 1 377 . 1 1 43 43 VAL HA H 1 4.27 0.01 . 1 . . . . 43 VAL HA . 7241 1 378 . 1 1 43 43 VAL HB H 1 2.08 0.01 . 1 . . . . 43 VAL HB . 7241 1 379 . 1 1 43 43 VAL HG11 H 1 0.97 0.01 . 2 . . . . 43 VAL HG11 . 7241 1 380 . 1 1 43 43 VAL HG12 H 1 0.97 0.01 . 2 . . . . 43 VAL HG12 . 7241 1 381 . 1 1 43 43 VAL HG13 H 1 0.97 0.01 . 2 . . . . 43 VAL HG13 . 7241 1 382 . 1 1 43 43 VAL HG21 H 1 0.83 0.01 . 2 . . . . 43 VAL HG21 . 7241 1 383 . 1 1 43 43 VAL HG22 H 1 0.83 0.01 . 2 . . . . 43 VAL HG22 . 7241 1 384 . 1 1 43 43 VAL HG23 H 1 0.83 0.01 . 2 . . . . 43 VAL HG23 . 7241 1 385 . 1 1 43 43 VAL CA C 13 58.63 0.05 . 1 . . . . 43 VAL CA . 7241 1 386 . 1 1 43 43 VAL CB C 13 30.42 0.05 . 1 . . . . 43 VAL CB . 7241 1 387 . 1 1 43 43 VAL CG1 C 13 19.61 0.05 . 1 . . . . 43 VAL CG1 . 7241 1 388 . 1 1 43 43 VAL CG2 C 13 18.58 0.05 . 1 . . . . 43 VAL CG2 . 7241 1 389 . 1 1 43 43 VAL N N 15 120.1 0.1 . 1 . . . . 43 VAL N . 7241 1 390 . 1 1 44 44 ALA H H 1 8.68 0.01 . 1 . . . . 44 ALA H . 7241 1 391 . 1 1 44 44 ALA HA H 1 4.08 0.01 . 1 . . . . 44 ALA HA . 7241 1 392 . 1 1 44 44 ALA HB1 H 1 1.65 0.01 . 1 . . . . 44 ALA HB1 . 7241 1 393 . 1 1 44 44 ALA HB2 H 1 1.65 0.01 . 1 . . . . 44 ALA HB2 . 7241 1 394 . 1 1 44 44 ALA HB3 H 1 1.65 0.01 . 1 . . . . 44 ALA HB3 . 7241 1 395 . 1 1 44 44 ALA CA C 13 50.86 0.05 . 1 . . . . 44 ALA CA . 7241 1 396 . 1 1 44 44 ALA CB C 13 18.51 0.05 . 1 . . . . 44 ALA CB . 7241 1 397 . 1 1 44 44 ALA N N 15 129.8 0.1 . 1 . . . . 44 ALA N . 7241 1 398 . 1 1 45 45 GLU H H 1 8.72 0.01 . 1 . . . . 45 GLU H . 7241 1 399 . 1 1 45 45 GLU HA H 1 3.9 0.01 . 1 . . . . 45 GLU HA . 7241 1 400 . 1 1 45 45 GLU HB2 H 1 2.02 0.01 . 1 . . . . 45 GLU HB2 . 7241 1 401 . 1 1 45 45 GLU HB3 H 1 2.02 0.01 . 1 . . . . 45 GLU HB3 . 7241 1 402 . 1 1 45 45 GLU HG2 H 1 2.34 0.01 . 1 . . . . 45 GLU HG2 . 7241 1 403 . 1 1 45 45 GLU HG3 H 1 2.34 0.01 . 1 . . . . 45 GLU HG3 . 7241 1 404 . 1 1 45 45 GLU CA C 13 57.08 0.05 . 1 . . . . 45 GLU CA . 7241 1 405 . 1 1 45 45 GLU CB C 13 26.78 0.05 . 1 . . . . 45 GLU CB . 7241 1 406 . 1 1 45 45 GLU CG C 13 33.68 0.05 . 1 . . . . 45 GLU CG . 7241 1 407 . 1 1 45 45 GLU N N 15 120.94 0.1 . 1 . . . . 45 GLU N . 7241 1 408 . 1 1 46 46 ASP H H 1 8.65 0.01 . 1 . . . . 46 ASP H . 7241 1 409 . 1 1 46 46 ASP HA H 1 4.12 0.01 . 1 . . . . 46 ASP HA . 7241 1 410 . 1 1 46 46 ASP HB2 H 1 2.63 0.01 . 1 . . . . 46 ASP HB2 . 7241 1 411 . 1 1 46 46 ASP HB3 H 1 2.63 0.01 . 1 . . . . 46 ASP HB3 . 7241 1 412 . 1 1 46 46 ASP CA C 13 57.08 0.05 . 1 . . . . 46 ASP CA . 7241 1 413 . 1 1 46 46 ASP CB C 13 36.29 0.05 . 1 . . . . 46 ASP CB . 7241 1 414 . 1 1 46 46 ASP N N 15 116.8 0.1 . 1 . . . . 46 ASP N . 7241 1 415 . 1 1 47 47 VAL H H 1 7.31 0.01 . 1 . . . . 47 VAL H . 7241 1 416 . 1 1 47 47 VAL HA H 1 3.61 0.01 . 1 . . . . 47 VAL HA . 7241 1 417 . 1 1 47 47 VAL HB H 1 1.96 0.01 . 1 . . . . 47 VAL HB . 7241 1 418 . 1 1 47 47 VAL HG11 H 1 0.85 0.01 . 2 . . . . 47 VAL HG11 . 7241 1 419 . 1 1 47 47 VAL HG12 H 1 0.85 0.01 . 2 . . . . 47 VAL HG12 . 7241 1 420 . 1 1 47 47 VAL HG13 H 1 0.85 0.01 . 2 . . . . 47 VAL HG13 . 7241 1 421 . 1 1 47 47 VAL HG21 H 1 0.6 0.01 . 2 . . . . 47 VAL HG21 . 7241 1 422 . 1 1 47 47 VAL HG22 H 1 0.6 0.01 . 2 . . . . 47 VAL HG22 . 7241 1 423 . 1 1 47 47 VAL HG23 H 1 0.6 0.01 . 2 . . . . 47 VAL HG23 . 7241 1 424 . 1 1 47 47 VAL CA C 13 61.73 0.05 . 1 . . . . 47 VAL CA . 7241 1 425 . 1 1 47 47 VAL CB C 13 28.9 0.05 . 1 . . . . 47 VAL CB . 7241 1 426 . 1 1 47 47 VAL CG1 C 13 18.62 0.05 . 1 . . . . 47 VAL CG1 . 7241 1 427 . 1 1 47 47 VAL CG2 C 13 16.87 0.05 . 1 . . . . 47 VAL CG2 . 7241 1 428 . 1 1 47 47 VAL N N 15 121.8 0.1 . 1 . . . . 47 VAL N . 7241 1 429 . 1 1 48 48 ALA H H 1 7.52 0.01 . 1 . . . . 48 ALA H . 7241 1 430 . 1 1 48 48 ALA HA H 1 3.46 0.01 . 1 . . . . 48 ALA HA . 7241 1 431 . 1 1 48 48 ALA HB1 H 1 1.23 0.01 . 1 . . . . 48 ALA HB1 . 7241 1 432 . 1 1 48 48 ALA HB2 H 1 1.23 0.01 . 1 . . . . 48 ALA HB2 . 7241 1 433 . 1 1 48 48 ALA HB3 H 1 1.23 0.01 . 1 . . . . 48 ALA HB3 . 7241 1 434 . 1 1 48 48 ALA CA C 13 52.68 0.05 . 1 . . . . 48 ALA CA . 7241 1 435 . 1 1 48 48 ALA CB C 13 15.03 0.05 . 1 . . . . 48 ALA CB . 7241 1 436 . 1 1 48 48 ALA N N 15 122.4 0.1 . 1 . . . . 48 ALA N . 7241 1 437 . 1 1 49 49 LYS H H 1 8.28 0.01 . 1 . . . . 49 LYS H . 7241 1 438 . 1 1 49 49 LYS HA H 1 3.87 0.01 . 1 . . . . 49 LYS HA . 7241 1 439 . 1 1 49 49 LYS HB2 H 1 1.76 0.01 . 1 . . . . 49 LYS HB2 . 7241 1 440 . 1 1 49 49 LYS HB3 H 1 1.76 0.01 . 1 . . . . 49 LYS HB3 . 7241 1 441 . 1 1 49 49 LYS HG2 H 1 1.36 0.01 . 1 . . . . 49 LYS HG2 . 7241 1 442 . 1 1 49 49 LYS HG3 H 1 1.36 0.01 . 1 . . . . 49 LYS HG3 . 7241 1 443 . 1 1 49 49 LYS HE2 H 1 2.91 0.01 . 1 . . . . 49 LYS HE2 . 7241 1 444 . 1 1 49 49 LYS HE3 H 1 2.91 0.01 . 1 . . . . 49 LYS HE3 . 7241 1 445 . 1 1 49 49 LYS CA C 13 56.79 0.05 . 1 . . . . 49 LYS CA . 7241 1 446 . 1 1 49 49 LYS CB C 13 29.23 0.05 . 1 . . . . 49 LYS CB . 7241 1 447 . 1 1 49 49 LYS CG C 13 22 0.05 . 1 . . . . 49 LYS CG . 7241 1 448 . 1 1 49 49 LYS CD C 13 26.04 0.05 . 1 . . . . 49 LYS CD . 7241 1 449 . 1 1 49 49 LYS CE C 13 39.36 0.05 . 1 . . . . 49 LYS CE . 7241 1 450 . 1 1 49 49 LYS N N 15 117.9 0.1 . 1 . . . . 49 LYS N . 7241 1 451 . 1 1 50 50 ASP H H 1 7.66 0.01 . 1 . . . . 50 ASP H . 7241 1 452 . 1 1 50 50 ASP HA H 1 4.25 0.01 . 1 . . . . 50 ASP HA . 7241 1 453 . 1 1 50 50 ASP HB2 H 1 2.74 0.01 . 2 . . . . 50 ASP HB2 . 7241 1 454 . 1 1 50 50 ASP HB3 H 1 2.6 0.01 . 2 . . . . 50 ASP HB3 . 7241 1 455 . 1 1 50 50 ASP CA C 13 54.44 0.05 . 1 . . . . 50 ASP CA . 7241 1 456 . 1 1 50 50 ASP CB C 13 37.55 0.05 . 1 . . . . 50 ASP CB . 7241 1 457 . 1 1 50 50 ASP N N 15 117.5 0.1 . 1 . . . . 50 ASP N . 7241 1 458 . 1 1 51 51 TYR H H 1 7.33 0.01 . 1 . . . . 51 TYR H . 7241 1 459 . 1 1 51 51 TYR HA H 1 4.1 0.01 . 1 . . . . 51 TYR HA . 7241 1 460 . 1 1 51 51 TYR HB2 H 1 2.89 0.01 . 2 . . . . 51 TYR HB2 . 7241 1 461 . 1 1 51 51 TYR HB3 H 1 2.84 0.01 . 2 . . . . 51 TYR HB3 . 7241 1 462 . 1 1 51 51 TYR CA C 13 58.33 0.05 . 1 . . . . 51 TYR CA . 7241 1 463 . 1 1 51 51 TYR CB C 13 35.91 0.05 . 1 . . . . 51 TYR CB . 7241 1 464 . 1 1 51 51 TYR N N 15 119.2 0.1 . 1 . . . . 51 TYR N . 7241 1 465 . 1 1 52 52 GLU H H 1 8.49 0.01 . 1 . . . . 52 GLU H . 7241 1 466 . 1 1 52 52 GLU HA H 1 3.76 0.01 . 1 . . . . 52 GLU HA . 7241 1 467 . 1 1 52 52 GLU HB2 H 1 2.08 0.01 . 2 . . . . 52 GLU HB2 . 7241 1 468 . 1 1 52 52 GLU HB3 H 1 1.86 0.01 . 2 . . . . 52 GLU HB3 . 7241 1 469 . 1 1 52 52 GLU HG2 H 1 2.59 0.01 . 2 . . . . 52 GLU HG2 . 7241 1 470 . 1 1 52 52 GLU HG3 H 1 2.44 0.01 . 2 . . . . 52 GLU HG3 . 7241 1 471 . 1 1 52 52 GLU CA C 13 55.89 0.05 . 1 . . . . 52 GLU CA . 7241 1 472 . 1 1 52 52 GLU CB C 13 26.12 0.05 . 1 . . . . 52 GLU CB . 7241 1 473 . 1 1 52 52 GLU CG C 13 32.12 0.05 . 1 . . . . 52 GLU CG . 7241 1 474 . 1 1 52 52 GLU N N 15 119.3 0.1 . 1 . . . . 52 GLU N . 7241 1 475 . 1 1 53 53 ASP H H 1 8.68 0.01 . 1 . . . . 53 ASP H . 7241 1 476 . 1 1 53 53 ASP HA H 1 4.34 0.01 . 1 . . . . 53 ASP HA . 7241 1 477 . 1 1 53 53 ASP HB2 H 1 2.69 0.01 . 1 . . . . 53 ASP HB2 . 7241 1 478 . 1 1 53 53 ASP HB3 H 1 2.69 0.01 . 1 . . . . 53 ASP HB3 . 7241 1 479 . 1 1 53 53 ASP CA C 13 53.51 0.05 . 1 . . . . 53 ASP CA . 7241 1 480 . 1 1 53 53 ASP CB C 13 37.22 0.05 . 1 . . . . 53 ASP CB . 7241 1 481 . 1 1 53 53 ASP N N 15 119.02 0.1 . 1 . . . . 53 ASP N . 7241 1 482 . 1 1 54 54 GLY H H 1 7.43 0.01 . 1 . . . . 54 GLY H . 7241 1 483 . 1 1 54 54 GLY HA2 H 1 3.91 0.01 . 2 . . . . 54 GLY HA2 . 7241 1 484 . 1 1 54 54 GLY HA3 H 1 3.73 0.01 . 2 . . . . 54 GLY HA3 . 7241 1 485 . 1 1 54 54 GLY CA C 13 42.68 0.05 . 1 . . . . 54 GLY CA . 7241 1 486 . 1 1 54 54 GLY N N 15 106.7 0.1 . 1 . . . . 54 GLY N . 7241 1 487 . 1 1 55 55 LEU H H 1 7.19 0.01 . 1 . . . . 55 LEU H . 7241 1 488 . 1 1 55 55 LEU HA H 1 4.10 0.01 . 1 . . . . 55 LEU HA . 7241 1 489 . 1 1 55 55 LEU HB2 H 1 1.58 0.01 . 2 . . . . 55 LEU HB2 . 7241 1 490 . 1 1 55 55 LEU HB3 H 1 1.38 0.01 . 2 . . . . 55 LEU HB3 . 7241 1 491 . 1 1 55 55 LEU HD11 H 1 0.71 0.01 . 2 . . . . 55 LEU HD11 . 7241 1 492 . 1 1 55 55 LEU HD12 H 1 0.71 0.01 . 2 . . . . 55 LEU HD12 . 7241 1 493 . 1 1 55 55 LEU HD13 H 1 0.71 0.01 . 2 . . . . 55 LEU HD13 . 7241 1 494 . 1 1 55 55 LEU CA C 13 52.32 0.05 . 1 . . . . 55 LEU CA . 7241 1 495 . 1 1 55 55 LEU CB C 13 39.23 0.05 . 1 . . . . 55 LEU CB . 7241 1 496 . 1 1 55 55 LEU CD1 C 13 19.46 0.05 . 1 . . . . 55 LEU CD1 . 7241 1 497 . 1 1 55 55 LEU CD2 C 13 19.46 0.05 . 1 . . . . 55 LEU CD2 . 7241 1 498 . 1 1 55 55 LEU N N 15 120 0.1 . 1 . . . . 55 LEU N . 7241 1 499 . 1 1 56 56 GLU H H 1 7.81 0.01 . 1 . . . . 56 GLU H . 7241 1 500 . 1 1 56 56 GLU HA H 1 4.16 0.01 . 1 . . . . 56 GLU HA . 7241 1 501 . 1 1 56 56 GLU HB2 H 1 1.91 0.01 . 2 . . . . 56 GLU HB2 . 7241 1 502 . 1 1 56 56 GLU HB3 H 1 1.78 0.01 . 2 . . . . 56 GLU HB3 . 7241 1 503 . 1 1 56 56 GLU HG2 H 1 2.19 0.01 . 2 . . . . 56 GLU HG2 . 7241 1 504 . 1 1 56 56 GLU HG3 H 1 2.13 0.01 . 2 . . . . 56 GLU HG3 . 7241 1 505 . 1 1 56 56 GLU CA C 13 53.48 0.05 . 1 . . . . 56 GLU CA . 7241 1 506 . 1 1 56 56 GLU CB C 13 27.43 0.05 . 1 . . . . 56 GLU CB . 7241 1 507 . 1 1 56 56 GLU N N 15 119.8 0.1 . 1 . . . . 56 GLU N . 7241 1 508 . 1 1 57 57 TYR H H 1 7.55 0.01 . 1 . . . . 57 TYR H . 7241 1 509 . 1 1 57 57 TYR HA H 1 4.29 0.01 . 1 . . . . 57 TYR HA . 7241 1 510 . 1 1 57 57 TYR HB2 H 1 2.97 0.01 . 2 . . . . 57 TYR HB2 . 7241 1 511 . 1 1 57 57 TYR HB3 H 1 2.78 0.01 . 2 . . . . 57 TYR HB3 . 7241 1 512 . 1 1 57 57 TYR CA C 13 56.41 0.05 . 1 . . . . 57 TYR CA . 7241 1 513 . 1 1 57 57 TYR CB C 13 36.51 0.05 . 1 . . . . 57 TYR CB . 7241 1 514 . 1 1 57 57 TYR N N 15 125.3 0.1 . 1 . . . . 57 TYR N . 7241 1 stop_ save_