################################### # 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 15172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15172 1 2 '3D HNCA' . . . 15172 1 3 '3D HNCACB' . . . 15172 1 4 '3D CBCA(CO)NH' . . . 15172 1 6 '3D HACANH' . . . 15172 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 $SPARKY . . 15172 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 4.65 0.01 . 1 . . . . 1 MET HA . 15172 1 2 . 1 1 1 1 MET CA C 13 53.9 0.1 . 1 . . . . 1 MET CA . 15172 1 3 . 1 1 1 1 MET CB C 13 40.7 0.1 . 1 . . . . 1 MET CB . 15172 1 4 . 1 1 2 2 GLY H H 1 8.29 0.01 . 1 . . . . 2 GLY HN . 15172 1 5 . 1 1 2 2 GLY HA2 H 1 4.02 0.01 . 1 . . . . 2 GLY HA1 . 15172 1 6 . 1 1 2 2 GLY HA3 H 1 4.02 0.01 . 1 . . . . 2 GLY HA2 . 15172 1 7 . 1 1 2 2 GLY CA C 13 45.0 0.1 . 1 . . . . 2 GLY CA . 15172 1 8 . 1 1 2 2 GLY N N 15 110.1 0.1 . 1 . . . . 2 GLY N . 15172 1 9 . 1 1 3 3 THR H H 1 7.93 0.01 . 1 . . . . 3 THR HN . 15172 1 10 . 1 1 3 3 THR HA H 1 4.30 0.01 . 1 . . . . 3 THR HA . 15172 1 11 . 1 1 3 3 THR CA C 13 59.6 0.1 . 1 . . . . 3 THR CA . 15172 1 12 . 1 1 3 3 THR CB C 13 64.5 0.1 . 1 . . . . 3 THR CB . 15172 1 13 . 1 1 3 3 THR N N 15 121.6 0.1 . 1 . . . . 3 THR N . 15172 1 14 . 1 1 11 11 SER CA C 13 57.7 0.1 . 1 . . . . 11 SER CA . 15172 1 15 . 1 1 11 11 SER CB C 13 63.3 0.1 . 1 . . . . 11 SER CB . 15172 1 16 . 1 1 12 12 SER H H 1 8.55 0.01 . 1 . . . . 12 SER HN . 15172 1 17 . 1 1 12 12 SER HA H 1 4.52 0.01 . 1 . . . . 12 SER HA . 15172 1 18 . 1 1 12 12 SER CA C 13 58.1 0.1 . 1 . . . . 12 SER CA . 15172 1 19 . 1 1 12 12 SER CB C 13 63.3 0.1 . 1 . . . . 12 SER CB . 15172 1 20 . 1 1 12 12 SER N N 15 118.3 0.1 . 1 . . . . 12 SER N . 15172 1 21 . 1 1 13 13 GLY H H 1 8.50 0.01 . 1 . . . . 13 GLY HN . 15172 1 22 . 1 1 13 13 GLY HA2 H 1 4.03 0.01 . 1 . . . . 13 GLY HA1 . 15172 1 23 . 1 1 13 13 GLY HA3 H 1 4.03 0.01 . 1 . . . . 13 GLY HA2 . 15172 1 24 . 1 1 13 13 GLY CA C 13 45.0 0.1 . 1 . . . . 13 GLY CA . 15172 1 25 . 1 1 13 13 GLY N N 15 111.1 0.1 . 1 . . . . 13 GLY N . 15172 1 26 . 1 1 14 14 ARG H H 1 8.19 0.01 . 1 . . . . 14 ARG HN . 15172 1 27 . 1 1 14 14 ARG HA H 1 4.34 0.01 . 1 . . . . 14 ARG HA . 15172 1 28 . 1 1 14 14 ARG CA C 13 55.7 0.1 . 1 . . . . 14 ARG CA . 15172 1 29 . 1 1 14 14 ARG CB C 13 30.1 0.1 . 1 . . . . 14 ARG CB . 15172 1 30 . 1 1 14 14 ARG N N 15 120.5 0.1 . 1 . . . . 14 ARG N . 15172 1 31 . 1 1 15 15 GLU H H 1 8.59 0.01 . 1 . . . . 15 GLU HN . 15172 1 32 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . 15 GLU HA . 15172 1 33 . 1 1 15 15 GLU CA C 13 56.6 0.1 . 1 . . . . 15 GLU CA . 15172 1 34 . 1 1 15 15 GLU CB C 13 29.4 0.1 . 1 . . . . 15 GLU CB . 15172 1 35 . 1 1 15 15 GLU N N 15 121.2 0.1 . 1 . . . . 15 GLU N . 15172 1 36 . 1 1 16 16 ASN H H 1 8.37 0.01 . 1 . . . . 16 ASN HN . 15172 1 37 . 1 1 16 16 ASN HA H 1 4.67 0.01 . 1 . . . . 16 ASN HA . 15172 1 38 . 1 1 16 16 ASN HD21 H 1 7.66 0.01 . 2 . . . . 16 ASN HD21 . 15172 1 39 . 1 1 16 16 ASN HD22 H 1 6.97 0.01 . 2 . . . . 16 ASN HD22 . 15172 1 40 . 1 1 16 16 ASN CA C 13 52.8 0.1 . 1 . . . . 16 ASN CA . 15172 1 41 . 1 1 16 16 ASN CB C 13 38.2 0.1 . 1 . . . . 16 ASN CB . 15172 1 42 . 1 1 16 16 ASN N N 15 119.1 0.1 . 1 . . . . 16 ASN N . 15172 1 43 . 1 1 16 16 ASN ND2 N 15 111.2 0.1 . 1 . . . . 16 ASN ND2 . 15172 1 44 . 1 1 17 17 LEU H H 1 8.06 0.01 . 1 . . . . 17 LEU HN . 15172 1 45 . 1 1 17 17 LEU HA H 1 4.22 0.01 . 1 . . . . 17 LEU HA . 15172 1 46 . 1 1 17 17 LEU CA C 13 55.0 0.1 . 1 . . . . 17 LEU CA . 15172 1 47 . 1 1 17 17 LEU CB C 13 41.7 0.1 . 1 . . . . 17 LEU CB . 15172 1 48 . 1 1 17 17 LEU N N 15 122.0 0.1 . 1 . . . . 17 LEU N . 15172 1 49 . 1 1 18 18 TYR H H 1 8.04 0.01 . 1 . . . . 18 TYR HN . 15172 1 50 . 1 1 18 18 TYR HA H 1 4.47 0.01 . 1 . . . . 18 TYR HA . 15172 1 51 . 1 1 18 18 TYR CA C 13 57.6 0.1 . 1 . . . . 18 TYR CA . 15172 1 52 . 1 1 18 18 TYR CB C 13 37.9 0.1 . 1 . . . . 18 TYR CB . 15172 1 53 . 1 1 18 18 TYR N N 15 119.8 0.1 . 1 . . . . 18 TYR N . 15172 1 54 . 1 1 19 19 PHE H H 1 7.96 0.01 . 1 . . . . 19 PHE HN . 15172 1 55 . 1 1 19 19 PHE HA H 1 4.50 0.01 . 1 . . . . 19 PHE HA . 15172 1 56 . 1 1 19 19 PHE CA C 13 57.2 0.1 . 1 . . . . 19 PHE CA . 15172 1 57 . 1 1 19 19 PHE CB C 13 38.9 0.1 . 1 . . . . 19 PHE CB . 15172 1 58 . 1 1 19 19 PHE N N 15 121.1 0.1 . 1 . . . . 19 PHE N . 15172 1 59 . 1 1 20 20 GLN H H 1 8.17 0.01 . 1 . . . . 20 GLN HN . 15172 1 60 . 1 1 20 20 GLN HA H 1 4.24 0.01 . 1 . . . . 20 GLN HA . 15172 1 61 . 1 1 20 20 GLN HE21 H 1 7.46 0.01 . 2 . . . . 20 GLN HE21 . 15172 1 62 . 1 1 20 20 GLN HE22 H 1 6.79 0.01 . 2 . . . . 20 GLN HE22 . 15172 1 63 . 1 1 20 20 GLN CA C 13 55.6 0.1 . 1 . . . . 20 GLN CA . 15172 1 64 . 1 1 20 20 GLN CB C 13 28.8 0.1 . 1 . . . . 20 GLN CB . 15172 1 65 . 1 1 20 20 GLN N N 15 121.6 0.1 . 1 . . . . 20 GLN N . 15172 1 66 . 1 1 20 20 GLN NE2 N 15 112.3 0.1 . 1 . . . . 20 GLN NE2 . 15172 1 67 . 1 1 21 21 GLY H H 1 7.94 0.01 . 1 . . . . 21 GLY HN . 15172 1 68 . 1 1 21 21 GLY HA2 H 1 3.89 0.01 . 1 . . . . 21 GLY HA1 . 15172 1 69 . 1 1 21 21 GLY HA3 H 1 3.89 0.01 . 1 . . . . 21 GLY HA2 . 15172 1 70 . 1 1 21 21 GLY CA C 13 44.9 0.1 . 1 . . . . 21 GLY CA . 15172 1 71 . 1 1 21 21 GLY N N 15 109.1 0.1 . 1 . . . . 21 GLY N . 15172 1 72 . 1 1 22 22 HIS H H 1 8.10 0.01 . 1 . . . . 22 HIS HN . 15172 1 73 . 1 1 22 22 HIS HA H 1 4.76 0.01 . 1 . . . . 22 HIS HA . 15172 1 74 . 1 1 22 22 HIS CA C 13 55.0 0.1 . 1 . . . . 22 HIS CA . 15172 1 75 . 1 1 22 22 HIS CB C 13 29.5 0.1 . 1 . . . . 22 HIS CB . 15172 1 76 . 1 1 22 22 HIS N N 15 118.5 0.1 . 1 . . . . 22 HIS N . 15172 1 77 . 1 1 23 23 MET H H 1 8.24 0.01 . 1 . . . . 23 MET HN . 15172 1 78 . 1 1 23 23 MET HA H 1 4.70 0.01 . 1 . . . . 23 MET HA . 15172 1 79 . 1 1 23 23 MET CA C 13 55.0 0.1 . 1 . . . . 23 MET CA . 15172 1 80 . 1 1 23 23 MET N N 15 121.6 0.1 . 1 . . . . 23 MET N . 15172 1 81 . 1 1 24 24 ARG H H 1 8.89 0.01 . 1 . . . . 24 ARG HN . 15172 1 82 . 1 1 24 24 ARG HA H 1 4.51 0.01 . 1 . . . . 24 ARG HA . 15172 1 83 . 1 1 24 24 ARG CA C 13 54.4 0.1 . 1 . . . . 24 ARG CA . 15172 1 84 . 1 1 24 24 ARG CB C 13 33.0 0.1 . 1 . . . . 24 ARG CB . 15172 1 85 . 1 1 24 24 ARG N N 15 124.4 0.1 . 1 . . . . 24 ARG N . 15172 1 86 . 1 1 25 25 GLU H H 1 8.20 0.01 . 1 . . . . 25 GLU HN . 15172 1 87 . 1 1 25 25 GLU HA H 1 5.04 0.01 . 1 . . . . 25 GLU HA . 15172 1 88 . 1 1 25 25 GLU CA C 13 54.2 0.1 . 1 . . . . 25 GLU CA . 15172 1 89 . 1 1 25 25 GLU CB C 13 31.7 0.1 . 1 . . . . 25 GLU CB . 15172 1 90 . 1 1 25 25 GLU N N 15 120.9 0.1 . 1 . . . . 25 GLU N . 15172 1 91 . 1 1 26 26 TYR H H 1 9.06 0.01 . 1 . . . . 26 TYR HN . 15172 1 92 . 1 1 26 26 TYR HA H 1 5.06 0.01 . 1 . . . . 26 TYR HA . 15172 1 93 . 1 1 26 26 TYR CA C 13 54.4 0.1 . 1 . . . . 26 TYR CA . 15172 1 94 . 1 1 26 26 TYR CB C 13 39.4 0.1 . 1 . . . . 26 TYR CB . 15172 1 95 . 1 1 26 26 TYR N N 15 122.1 0.1 . 1 . . . . 26 TYR N . 15172 1 96 . 1 1 27 27 PRO HA H 1 4.72 0.01 . 1 . . . . 27 PRO HA . 15172 1 97 . 1 1 27 27 PRO CA C 13 61.6 0.1 . 1 . . . . 27 PRO CA . 15172 1 98 . 1 1 27 27 PRO CB C 13 32.0 0.1 . 1 . . . . 27 PRO CB . 15172 1 99 . 1 1 28 28 VAL H H 1 7.69 0.01 . 1 . . . . 28 VAL HN . 15172 1 100 . 1 1 28 28 VAL HA H 1 4.50 0.01 . 1 . . . . 28 VAL HA . 15172 1 101 . 1 1 28 28 VAL CA C 13 60.8 0.1 . 1 . . . . 28 VAL CA . 15172 1 102 . 1 1 28 28 VAL CB C 13 33.5 0.1 . 1 . . . . 28 VAL CB . 15172 1 103 . 1 1 28 28 VAL N N 15 118.4 0.1 . 1 . . . . 28 VAL N . 15172 1 104 . 1 1 29 29 LYS H H 1 8.59 0.01 . 1 . . . . 29 LYS HN . 15172 1 105 . 1 1 29 29 LYS HA H 1 3.87 0.01 . 1 . . . . 29 LYS HA . 15172 1 106 . 1 1 29 29 LYS CA C 13 56.2 0.1 . 1 . . . . 29 LYS CA . 15172 1 107 . 1 1 29 29 LYS CB C 13 32.5 0.1 . 1 . . . . 29 LYS CB . 15172 1 108 . 1 1 29 29 LYS N N 15 132.7 0.1 . 1 . . . . 29 LYS N . 15172 1 109 . 1 1 30 30 LYS H H 1 8.30 0.01 . 1 . . . . 30 LYS HN . 15172 1 110 . 1 1 30 30 LYS HA H 1 4.15 0.01 . 1 . . . . 30 LYS HA . 15172 1 111 . 1 1 30 30 LYS CA C 13 58.5 0.1 . 1 . . . . 30 LYS CA . 15172 1 112 . 1 1 30 30 LYS CB C 13 31.6 0.1 . 1 . . . . 30 LYS CB . 15172 1 113 . 1 1 30 30 LYS N N 15 125.4 0.1 . 1 . . . . 30 LYS N . 15172 1 114 . 1 1 31 31 GLY H H 1 8.84 0.01 . 1 . . . . 31 GLY HN . 15172 1 115 . 1 1 31 31 GLY HA2 H 1 4.35 0.01 . 2 . . . . 31 GLY HA1 . 15172 1 116 . 1 1 31 31 GLY HA3 H 1 3.63 0.01 . 2 . . . . 31 GLY HA2 . 15172 1 117 . 1 1 31 31 GLY CA C 13 44.3 0.1 . 1 . . . . 31 GLY CA . 15172 1 118 . 1 1 31 31 GLY N N 15 114.4 0.1 . 1 . . . . 31 GLY N . 15172 1 119 . 1 1 32 32 PHE H H 1 8.45 0.01 . 1 . . . . 32 PHE HN . 15172 1 120 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 1 121 . 1 1 32 32 PHE CA C 13 56.2 0.1 . 1 . . . . 32 PHE CA . 15172 1 122 . 1 1 32 32 PHE CB C 13 36.6 0.1 . 1 . . . . 32 PHE CB . 15172 1 123 . 1 1 32 32 PHE N N 15 124.2 0.1 . 1 . . . . 32 PHE N . 15172 1 124 . 1 1 33 33 PRO CA C 13 63.1 0.1 . 1 . . . . 33 PRO CA . 15172 1 125 . 1 1 33 33 PRO CB C 13 32.2 0.1 . 1 . . . . 33 PRO CB . 15172 1 126 . 1 1 34 34 THR H H 1 8.29 0.01 . 1 . . . . 34 THR HN . 15172 1 127 . 1 1 34 34 THR HA H 1 4.53 0.01 . 1 . . . . 34 THR HA . 15172 1 128 . 1 1 34 34 THR CA C 13 59.6 0.1 . 1 . . . . 34 THR CA . 15172 1 129 . 1 1 34 34 THR CB C 13 69.4 0.1 . 1 . . . . 34 THR CB . 15172 1 130 . 1 1 34 34 THR N N 15 106.1 0.1 . 1 . . . . 34 THR N . 15172 1 131 . 1 1 35 35 ASP H H 1 7.61 0.01 . 1 . . . . 35 ASP HN . 15172 1 132 . 1 1 35 35 ASP HA H 1 4.97 0.01 . 1 . . . . 35 ASP HA . 15172 1 133 . 1 1 35 35 ASP CA C 13 51.8 0.1 . 1 . . . . 35 ASP CA . 15172 1 134 . 1 1 35 35 ASP CB C 13 42.4 0.1 . 1 . . . . 35 ASP CB . 15172 1 135 . 1 1 35 35 ASP N N 15 118.1 0.1 . 1 . . . . 35 ASP N . 15172 1 136 . 1 1 36 36 TYR H H 1 8.66 0.01 . 1 . . . . 36 TYR HN . 15172 1 137 . 1 1 36 36 TYR HA H 1 3.81 0.01 . 1 . . . . 36 TYR HA . 15172 1 138 . 1 1 36 36 TYR CA C 13 62.9 0.1 . 1 . . . . 36 TYR CA . 15172 1 139 . 1 1 36 36 TYR CB C 13 38.8 0.1 . 1 . . . . 36 TYR CB . 15172 1 140 . 1 1 36 36 TYR N N 15 120.0 0.1 . 1 . . . . 36 TYR N . 15172 1 141 . 1 1 37 37 ASP H H 1 8.63 0.01 . 1 . . . . 37 ASP HN . 15172 1 142 . 1 1 37 37 ASP HA H 1 4.42 0.01 . 1 . . . . 37 ASP HA . 15172 1 143 . 1 1 37 37 ASP CA C 13 57.5 0.1 . 1 . . . . 37 ASP CA . 15172 1 144 . 1 1 37 37 ASP CB C 13 40.1 0.1 . 1 . . . . 37 ASP CB . 15172 1 145 . 1 1 37 37 ASP N N 15 117.0 0.1 . 1 . . . . 37 ASP N . 15172 1 146 . 1 1 38 38 SER H H 1 8.28 0.01 . 1 . . . . 38 SER HN . 15172 1 147 . 1 1 38 38 SER HA H 1 4.22 0.01 . 1 . . . . 38 SER HA . 15172 1 148 . 1 1 38 38 SER CA C 13 61.5 0.1 . 1 . . . . 38 SER CA . 15172 1 149 . 1 1 38 38 SER N N 15 116.6 0.1 . 1 . . . . 38 SER N . 15172 1 150 . 1 1 39 39 ILE H H 1 8.34 0.01 . 1 . . . . 39 ILE HN . 15172 1 151 . 1 1 39 39 ILE HA H 1 3.56 0.01 . 1 . . . . 39 ILE HA . 15172 1 152 . 1 1 39 39 ILE CA C 13 65.2 0.1 . 1 . . . . 39 ILE CA . 15172 1 153 . 1 1 39 39 ILE N N 15 124.0 0.1 . 1 . . . . 39 ILE N . 15172 1 154 . 1 1 40 40 LYS H H 1 8.07 0.01 . 1 . . . . 40 LYS HN . 15172 1 155 . 1 1 40 40 LYS HA H 1 3.79 0.01 . 1 . . . . 40 LYS HA . 15172 1 156 . 1 1 40 40 LYS CA C 13 60.8 0.1 . 1 . . . . 40 LYS CA . 15172 1 157 . 1 1 40 40 LYS CB C 13 31.6 0.1 . 1 . . . . 40 LYS CB . 15172 1 158 . 1 1 40 40 LYS N N 15 118.7 0.1 . 1 . . . . 40 LYS N . 15172 1 159 . 1 1 41 41 ARG H H 1 8.01 0.01 . 1 . . . . 41 ARG HN . 15172 1 160 . 1 1 41 41 ARG HA H 1 4.06 0.01 . 1 . . . . 41 ARG HA . 15172 1 161 . 1 1 41 41 ARG CA C 13 58.9 0.1 . 1 . . . . 41 ARG CA . 15172 1 162 . 1 1 41 41 ARG CB C 13 29.6 0.1 . 1 . . . . 41 ARG CB . 15172 1 163 . 1 1 41 41 ARG N N 15 117.2 0.1 . 1 . . . . 41 ARG N . 15172 1 164 . 1 1 42 42 LYS H H 1 7.98 0.01 . 1 . . . . 42 LYS HN . 15172 1 165 . 1 1 42 42 LYS HA H 1 4.18 0.01 . 1 . . . . 42 LYS HA . 15172 1 166 . 1 1 42 42 LYS CA C 13 57.6 0.1 . 1 . . . . 42 LYS CA . 15172 1 167 . 1 1 42 42 LYS CB C 13 30.9 0.1 . 1 . . . . 42 LYS CB . 15172 1 168 . 1 1 42 42 LYS N N 15 120.1 0.1 . 1 . . . . 42 LYS N . 15172 1 169 . 1 1 43 43 ILE H H 1 8.18 0.01 . 1 . . . . 43 ILE HN . 15172 1 170 . 1 1 43 43 ILE HA H 1 3.67 0.01 . 1 . . . . 43 ILE HA . 15172 1 171 . 1 1 43 43 ILE CA C 13 66.6 0.1 . 1 . . . . 43 ILE CA . 15172 1 172 . 1 1 43 43 ILE CB C 13 37.7 0.1 . 1 . . . . 43 ILE CB . 15172 1 173 . 1 1 43 43 ILE N N 15 117.9 0.1 . 1 . . . . 43 ILE N . 15172 1 174 . 1 1 44 44 SER H H 1 7.88 0.01 . 1 . . . . 44 SER HN . 15172 1 175 . 1 1 44 44 SER HA H 1 4.64 0.01 . 1 . . . . 44 SER HA . 15172 1 176 . 1 1 44 44 SER CA C 13 61.0 0.1 . 1 . . . . 44 SER CA . 15172 1 177 . 1 1 44 44 SER CB C 13 62.4 0.1 . 1 . . . . 44 SER CB . 15172 1 178 . 1 1 44 44 SER N N 15 113.4 0.1 . 1 . . . . 44 SER N . 15172 1 179 . 1 1 45 45 GLU H H 1 8.58 0.01 . 1 . . . . 45 GLU HN . 15172 1 180 . 1 1 45 45 GLU HA H 1 4.06 0.01 . 1 . . . . 45 GLU HA . 15172 1 181 . 1 1 45 45 GLU CA C 13 58.7 0.1 . 1 . . . . 45 GLU CA . 15172 1 182 . 1 1 45 45 GLU CB C 13 28.9 0.1 . 1 . . . . 45 GLU CB . 15172 1 183 . 1 1 45 45 GLU N N 15 124.8 0.1 . 1 . . . . 45 GLU N . 15172 1 184 . 1 1 46 46 LEU H H 1 7.89 0.01 . 1 . . . . 46 LEU HN . 15172 1 185 . 1 1 46 46 LEU HA H 1 4.15 0.01 . 1 . . . . 46 LEU HA . 15172 1 186 . 1 1 46 46 LEU CA C 13 54.9 0.1 . 1 . . . . 46 LEU CA . 15172 1 187 . 1 1 46 46 LEU CB C 13 42.0 0.1 . 1 . . . . 46 LEU CB . 15172 1 188 . 1 1 46 46 LEU N N 15 118.5 0.1 . 1 . . . . 46 LEU N . 15172 1 189 . 1 1 47 47 GLY H H 1 7.80 0.01 . 1 . . . . 47 GLY HN . 15172 1 190 . 1 1 47 47 GLY HA2 H 1 3.96 0.01 . 2 . . . . 47 GLY HA1 . 15172 1 191 . 1 1 47 47 GLY HA3 H 1 3.67 0.01 . 2 . . . . 47 GLY HA2 . 15172 1 192 . 1 1 47 47 GLY CA C 13 44.2 0.1 . 1 . . . . 47 GLY CA . 15172 1 193 . 1 1 47 47 GLY N N 15 104.9 0.1 . 1 . . . . 47 GLY N . 15172 1 194 . 1 1 48 48 PHE H H 1 7.23 0.01 . 1 . . . . 48 PHE HN . 15172 1 195 . 1 1 48 48 PHE HA H 1 5.21 0.01 . 1 . . . . 48 PHE HA . 15172 1 196 . 1 1 48 48 PHE CA C 13 54.8 0.1 . 1 . . . . 48 PHE CA . 15172 1 197 . 1 1 48 48 PHE CB C 13 39.0 0.1 . 1 . . . . 48 PHE CB . 15172 1 198 . 1 1 48 48 PHE N N 15 119.9 0.1 . 1 . . . . 48 PHE N . 15172 1 199 . 1 1 49 49 ASP H H 1 8.30 0.01 . 1 . . . . 49 ASP HN . 15172 1 200 . 1 1 49 49 ASP HA H 1 4.70 0.01 . 1 . . . . 49 ASP HA . 15172 1 201 . 1 1 49 49 ASP CA C 13 54.4 0.1 . 1 . . . . 49 ASP CA . 15172 1 202 . 1 1 49 49 ASP CB C 13 41.9 0.1 . 1 . . . . 49 ASP CB . 15172 1 203 . 1 1 49 49 ASP N N 15 121.6 0.1 . 1 . . . . 49 ASP N . 15172 1 204 . 1 1 50 50 VAL H H 1 8.03 0.01 . 1 . . . . 50 VAL HN . 15172 1 205 . 1 1 50 50 VAL HA H 1 5.40 0.01 . 1 . . . . 50 VAL HA . 15172 1 206 . 1 1 50 50 VAL CA C 13 58.7 0.1 . 1 . . . . 50 VAL CA . 15172 1 207 . 1 1 50 50 VAL CB C 13 34.3 0.1 . 1 . . . . 50 VAL CB . 15172 1 208 . 1 1 50 50 VAL N N 15 118.5 0.1 . 1 . . . . 50 VAL N . 15172 1 209 . 1 1 51 51 LYS H H 1 8.86 0.01 . 1 . . . . 51 LYS HN . 15172 1 210 . 1 1 51 51 LYS HA H 1 4.86 0.01 . 1 . . . . 51 LYS HA . 15172 1 211 . 1 1 51 51 LYS CA C 13 54.1 0.1 . 1 . . . . 51 LYS CA . 15172 1 212 . 1 1 51 51 LYS CB C 13 35.4 0.1 . 1 . . . . 51 LYS CB . 15172 1 213 . 1 1 51 51 LYS N N 15 124.7 0.1 . 1 . . . . 51 LYS N . 15172 1 214 . 1 1 52 52 SER H H 1 8.75 0.01 . 1 . . . . 52 SER HN . 15172 1 215 . 1 1 52 52 SER HA H 1 5.14 0.01 . 1 . . . . 52 SER HA . 15172 1 216 . 1 1 52 52 SER CA C 13 58.2 0.1 . 1 . . . . 52 SER CA . 15172 1 217 . 1 1 52 52 SER CB C 13 64.4 0.1 . 1 . . . . 52 SER CB . 15172 1 218 . 1 1 52 52 SER N N 15 116.5 0.1 . 1 . . . . 52 SER N . 15172 1 219 . 1 1 53 53 GLU H H 1 8.54 0.01 . 1 . . . . 53 GLU HN . 15172 1 220 . 1 1 53 53 GLU HA H 1 4.54 0.01 . 1 . . . . 53 GLU HA . 15172 1 221 . 1 1 53 53 GLU CA C 13 54.9 0.1 . 1 . . . . 53 GLU CA . 15172 1 222 . 1 1 53 53 GLU CB C 13 31.6 0.1 . 1 . . . . 53 GLU CB . 15172 1 223 . 1 1 53 53 GLU N N 15 125.4 0.1 . 1 . . . . 53 GLU N . 15172 1 224 . 1 1 54 54 GLY H H 1 9.05 0.01 . 1 . . . . 54 GLY HN . 15172 1 225 . 1 1 54 54 GLY HA2 H 1 4.06 0.01 . 2 . . . . 54 GLY HA1 . 15172 1 226 . 1 1 54 54 GLY HA3 H 1 3.71 0.01 . 2 . . . . 54 GLY HA2 . 15172 1 227 . 1 1 54 54 GLY CA C 13 46.9 0.1 . 1 . . . . 54 GLY CA . 15172 1 228 . 1 1 54 54 GLY N N 15 117.3 0.1 . 1 . . . . 54 GLY N . 15172 1 229 . 1 1 55 55 ASP H H 1 8.83 0.01 . 1 . . . . 55 ASP HN . 15172 1 230 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 1 231 . 1 1 55 55 ASP CA C 13 53.5 0.1 . 1 . . . . 55 ASP CA . 15172 1 232 . 1 1 55 55 ASP CB C 13 39.9 0.1 . 1 . . . . 55 ASP CB . 15172 1 233 . 1 1 55 55 ASP N N 15 127.1 0.1 . 1 . . . . 55 ASP N . 15172 1 234 . 1 1 56 56 LEU H H 1 8.23 0.01 . 1 . . . . 56 LEU HN . 15172 1 235 . 1 1 56 56 LEU HA H 1 5.07 0.01 . 1 . . . . 56 LEU HA . 15172 1 236 . 1 1 56 56 LEU CA C 13 53.3 0.1 . 1 . . . . 56 LEU CA . 15172 1 237 . 1 1 56 56 LEU CB C 13 44.8 0.1 . 1 . . . . 56 LEU CB . 15172 1 238 . 1 1 56 56 LEU N N 15 119.2 0.1 . 1 . . . . 56 LEU N . 15172 1 239 . 1 1 57 57 ILE H H 1 9.16 0.01 . 1 . . . . 57 ILE HN . 15172 1 240 . 1 1 57 57 ILE HA H 1 4.37 0.01 . 1 . . . . 57 ILE HA . 15172 1 241 . 1 1 57 57 ILE CA C 13 60.6 0.1 . 1 . . . . 57 ILE CA . 15172 1 242 . 1 1 57 57 ILE CB C 13 39.0 0.1 . 1 . . . . 57 ILE CB . 15172 1 243 . 1 1 57 57 ILE N N 15 124.7 0.1 . 1 . . . . 57 ILE N . 15172 1 244 . 1 1 58 58 ILE H H 1 9.14 0.01 . 1 . . . . 58 ILE HN . 15172 1 245 . 1 1 58 58 ILE HA H 1 5.28 0.01 . 1 . . . . 58 ILE HA . 15172 1 246 . 1 1 58 58 ILE CA C 13 57.1 0.1 . 1 . . . . 58 ILE CA . 15172 1 247 . 1 1 58 58 ILE N N 15 126.7 0.1 . 1 . . . . 58 ILE N . 15172 1 248 . 1 1 59 59 ALA H H 1 9.38 0.01 . 1 . . . . 59 ALA HN . 15172 1 249 . 1 1 59 59 ALA HA H 1 5.55 0.01 . 1 . . . . 59 ALA HA . 15172 1 250 . 1 1 59 59 ALA CA C 13 49.0 0.1 . 1 . . . . 59 ALA CA . 15172 1 251 . 1 1 59 59 ALA CB C 13 22.3 0.1 . 1 . . . . 59 ALA CB . 15172 1 252 . 1 1 59 59 ALA N N 15 130.5 0.1 . 1 . . . . 59 ALA N . 15172 1 253 . 1 1 60 60 SER H H 1 7.69 0.01 . 1 . . . . 60 SER HN . 15172 1 254 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 1 255 . 1 1 60 60 SER CA C 13 56.6 0.1 . 1 . . . . 60 SER CA . 15172 1 256 . 1 1 60 60 SER CB C 13 64.6 0.1 . 1 . . . . 60 SER CB . 15172 1 257 . 1 1 60 60 SER N N 15 113.3 0.1 . 1 . . . . 60 SER N . 15172 1 258 . 1 1 61 61 ILE H H 1 8.07 0.01 . 1 . . . . 61 ILE HN . 15172 1 259 . 1 1 61 61 ILE HA H 1 4.61 0.01 . 1 . . . . 61 ILE HA . 15172 1 260 . 1 1 61 61 ILE CA C 13 57.0 0.1 . 1 . . . . 61 ILE CA . 15172 1 261 . 1 1 61 61 ILE N N 15 118.8 0.1 . 1 . . . . 61 ILE N . 15172 1 262 . 1 1 62 62 PRO HA H 1 4.22 0.01 . 1 . . . . 62 PRO HA . 15172 1 263 . 1 1 62 62 PRO CA C 13 64.6 0.1 . 1 . . . . 62 PRO CA . 15172 1 264 . 1 1 62 62 PRO CB C 13 30.1 0.1 . 1 . . . . 62 PRO CB . 15172 1 265 . 1 1 63 63 GLY H H 1 8.33 0.01 . 1 . . . . 63 GLY HN . 15172 1 266 . 1 1 63 63 GLY HA2 H 1 4.44 0.01 . 2 . . . . 63 GLY HA1 . 15172 1 267 . 1 1 63 63 GLY HA3 H 1 3.47 0.01 . 2 . . . . 63 GLY HA2 . 15172 1 268 . 1 1 63 63 GLY CA C 13 45.2 0.1 . 1 . . . . 63 GLY CA . 15172 1 269 . 1 1 63 63 GLY N N 15 114.5 0.1 . 1 . . . . 63 GLY N . 15172 1 270 . 1 1 64 64 ILE H H 1 7.99 0.01 . 1 . . . . 64 ILE HN . 15172 1 271 . 1 1 64 64 ILE HA H 1 4.25 0.01 . 1 . . . . 64 ILE HA . 15172 1 272 . 1 1 64 64 ILE CA C 13 61.4 0.1 . 1 . . . . 64 ILE CA . 15172 1 273 . 1 1 64 64 ILE CB C 13 39.7 0.1 . 1 . . . . 64 ILE CB . 15172 1 274 . 1 1 64 64 ILE N N 15 118.8 0.1 . 1 . . . . 64 ILE N . 15172 1 275 . 1 1 65 65 SER H H 1 8.86 0.01 . 1 . . . . 65 SER HN . 15172 1 276 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 1 277 . 1 1 65 65 SER CA C 13 60.9 0.1 . 1 . . . . 65 SER CA . 15172 1 278 . 1 1 65 65 SER CB C 13 63.1 0.1 . 1 . . . . 65 SER CB . 15172 1 279 . 1 1 65 65 SER N N 15 121.8 0.1 . 1 . . . . 65 SER N . 15172 1 280 . 1 1 66 66 ARG H H 1 8.13 0.01 . 1 . . . . 66 ARG HN . 15172 1 281 . 1 1 66 66 ARG HA H 1 4.51 0.01 . 1 . . . . 66 ARG HA . 15172 1 282 . 1 1 66 66 ARG CA C 13 56.1 0.1 . 1 . . . . 66 ARG CA . 15172 1 283 . 1 1 66 66 ARG CB C 13 32.0 0.1 . 1 . . . . 66 ARG CB . 15172 1 284 . 1 1 66 66 ARG N N 15 123.1 0.1 . 1 . . . . 66 ARG N . 15172 1 285 . 1 1 67 67 ILE H H 1 8.82 0.01 . 1 . . . . 67 ILE HN . 15172 1 286 . 1 1 67 67 ILE HA H 1 4.48 0.01 . 1 . . . . 67 ILE HA . 15172 1 287 . 1 1 67 67 ILE CA C 13 60.5 0.1 . 1 . . . . 67 ILE CA . 15172 1 288 . 1 1 67 67 ILE N N 15 128.3 0.1 . 1 . . . . 67 ILE N . 15172 1 289 . 1 1 68 68 GLU H H 1 8.79 0.01 . 1 . . . . 68 GLU HN . 15172 1 290 . 1 1 68 68 GLU HA H 1 4.95 0.01 . 1 . . . . 68 GLU HA . 15172 1 291 . 1 1 68 68 GLU CA C 13 54.2 0.1 . 1 . . . . 68 GLU CA . 15172 1 292 . 1 1 68 68 GLU N N 15 125.4 0.1 . 1 . . . . 68 GLU N . 15172 1 293 . 1 1 69 69 ILE H H 1 9.76 0.01 . 1 . . . . 69 ILE HN . 15172 1 294 . 1 1 69 69 ILE HA H 1 5.14 0.01 . 1 . . . . 69 ILE HA . 15172 1 295 . 1 1 69 69 ILE CA C 13 59.9 0.1 . 1 . . . . 69 ILE CA . 15172 1 296 . 1 1 69 69 ILE N N 15 123.9 0.1 . 1 . . . . 69 ILE N . 15172 1 297 . 1 1 70 70 LYS H H 1 9.35 0.01 . 1 . . . . 70 LYS HN . 15172 1 298 . 1 1 70 70 LYS HA H 1 5.23 0.01 . 1 . . . . 70 LYS HA . 15172 1 299 . 1 1 70 70 LYS CA C 13 51.9 0.1 . 1 . . . . 70 LYS CA . 15172 1 300 . 1 1 70 70 LYS N N 15 127.8 0.1 . 1 . . . . 70 LYS N . 15172 1 301 . 1 1 71 71 PRO HA H 1 4.59 0.01 . 1 . . . . 71 PRO HA . 15172 1 302 . 1 1 71 71 PRO CA C 13 62.2 0.1 . 1 . . . . 71 PRO CA . 15172 1 303 . 1 1 71 71 PRO CB C 13 31.9 0.1 . 1 . . . . 71 PRO CB . 15172 1 304 . 1 1 72 72 ASP H H 1 8.40 0.01 . 1 . . . . 72 ASP HN . 15172 1 305 . 1 1 72 72 ASP HA H 1 4.81 0.01 . 1 . . . . 72 ASP HA . 15172 1 306 . 1 1 72 72 ASP CA C 13 53.1 0.1 . 1 . . . . 72 ASP CA . 15172 1 307 . 1 1 72 72 ASP CB C 13 43.4 0.1 . 1 . . . . 72 ASP CB . 15172 1 308 . 1 1 72 72 ASP N N 15 124.2 0.1 . 1 . . . . 72 ASP N . 15172 1 309 . 1 1 73 73 LYS H H 1 9.42 0.01 . 1 . . . . 73 LYS HN . 15172 1 310 . 1 1 73 73 LYS HA H 1 4.18 0.01 . 1 . . . . 73 LYS HA . 15172 1 311 . 1 1 73 73 LYS CA C 13 57.7 0.1 . 1 . . . . 73 LYS CA . 15172 1 312 . 1 1 73 73 LYS CB C 13 30.5 0.1 . 1 . . . . 73 LYS CB . 15172 1 313 . 1 1 73 73 LYS N N 15 122.4 0.1 . 1 . . . . 73 LYS N . 15172 1 314 . 1 1 74 74 ARG H H 1 8.77 0.01 . 1 . . . . 74 ARG HN . 15172 1 315 . 1 1 74 74 ARG HA H 1 4.18 0.01 . 1 . . . . 74 ARG HA . 15172 1 316 . 1 1 74 74 ARG CA C 13 55.9 0.1 . 1 . . . . 74 ARG CA . 15172 1 317 . 1 1 74 74 ARG CB C 13 27.8 0.1 . 1 . . . . 74 ARG CB . 15172 1 318 . 1 1 74 74 ARG N N 15 119.5 0.1 . 1 . . . . 74 ARG N . 15172 1 319 . 1 1 75 75 LYS H H 1 7.71 0.01 . 1 . . . . 75 LYS HN . 15172 1 320 . 1 1 75 75 LYS HA H 1 5.22 0.01 . 1 . . . . 75 LYS HA . 15172 1 321 . 1 1 75 75 LYS CA C 13 54.3 0.1 . 1 . . . . 75 LYS CA . 15172 1 322 . 1 1 75 75 LYS CB C 13 35.3 0.1 . 1 . . . . 75 LYS CB . 15172 1 323 . 1 1 75 75 LYS N N 15 116.8 0.1 . 1 . . . . 75 LYS N . 15172 1 324 . 1 1 76 76 ILE H H 1 8.70 0.01 . 1 . . . . 76 ILE HN . 15172 1 325 . 1 1 76 76 ILE HA H 1 4.76 0.01 . 1 . . . . 76 ILE HA . 15172 1 326 . 1 1 76 76 ILE CA C 13 59.5 0.1 . 1 . . . . 76 ILE CA . 15172 1 327 . 1 1 76 76 ILE CB C 13 41.1 0.1 . 1 . . . . 76 ILE CB . 15172 1 328 . 1 1 76 76 ILE N N 15 112.0 0.1 . 1 . . . . 76 ILE N . 15172 1 329 . 1 1 77 77 LEU H H 1 8.53 0.01 . 1 . . . . 77 LEU HN . 15172 1 330 . 1 1 77 77 LEU HA H 1 5.21 0.01 . 1 . . . . 77 LEU HA . 15172 1 331 . 1 1 77 77 LEU CA C 13 53.2 0.1 . 1 . . . . 77 LEU CA . 15172 1 332 . 1 1 77 77 LEU N N 15 125.2 0.1 . 1 . . . . 77 LEU N . 15172 1 333 . 1 1 78 78 VAL H H 1 9.23 0.01 . 1 . . . . 78 VAL HN . 15172 1 334 . 1 1 78 78 VAL HA H 1 5.38 0.01 . 1 . . . . 78 VAL HA . 15172 1 335 . 1 1 78 78 VAL CA C 13 60.4 0.1 . 1 . . . . 78 VAL CA . 15172 1 336 . 1 1 78 78 VAL N N 15 123.0 0.1 . 1 . . . . 78 VAL N . 15172 1 337 . 1 1 79 79 ASN H H 1 9.52 0.01 . 1 . . . . 79 ASN HN . 15172 1 338 . 1 1 79 79 ASN HA H 1 5.50 0.01 . 1 . . . . 79 ASN HA . 15172 1 339 . 1 1 79 79 ASN HD21 H 1 7.56 0.01 . 2 . . . . 79 ASN HD21 . 15172 1 340 . 1 1 79 79 ASN HD22 H 1 6.89 0.01 . 2 . . . . 79 ASN HD22 . 15172 1 341 . 1 1 79 79 ASN CA C 13 51.3 0.1 . 1 . . . . 79 ASN CA . 15172 1 342 . 1 1 79 79 ASN CB C 13 41.3 0.1 . 1 . . . . 79 ASN CB . 15172 1 343 . 1 1 79 79 ASN N N 15 127.0 0.1 . 1 . . . . 79 ASN N . 15172 1 344 . 1 1 79 79 ASN ND2 N 15 113.0 0.1 . 1 . . . . 79 ASN ND2 . 15172 1 345 . 1 1 80 80 THR H H 1 8.64 0.01 . 1 . . . . 80 THR HN . 15172 1 346 . 1 1 80 80 THR HA H 1 4.58 0.01 . 1 . . . . 80 THR HA . 15172 1 347 . 1 1 80 80 THR CA C 13 61.2 0.1 . 1 . . . . 80 THR CA . 15172 1 348 . 1 1 80 80 THR CB C 13 69.3 0.1 . 1 . . . . 80 THR CB . 15172 1 349 . 1 1 80 80 THR N N 15 118.0 0.1 . 1 . . . . 80 THR N . 15172 1 350 . 1 1 81 81 GLY H H 1 8.08 0.01 . 1 . . . . 81 GLY HN . 15172 1 351 . 1 1 81 81 GLY CA C 13 44.3 0.1 . 1 . . . . 81 GLY CA . 15172 1 352 . 1 1 81 81 GLY N N 15 110.4 0.1 . 1 . . . . 81 GLY N . 15172 1 353 . 1 1 82 82 ASP H H 1 8.10 0.01 . 1 . . . . 82 ASP HN . 15172 1 354 . 1 1 82 82 ASP HA H 1 4.46 0.01 . 1 . . . . 82 ASP HA . 15172 1 355 . 1 1 82 82 ASP CA C 13 53.8 0.1 . 1 . . . . 82 ASP CA . 15172 1 356 . 1 1 82 82 ASP CB C 13 40.8 0.1 . 1 . . . . 82 ASP CB . 15172 1 357 . 1 1 82 82 ASP N N 15 118.2 0.1 . 1 . . . . 82 ASP N . 15172 1 358 . 1 1 83 83 TYR H H 1 8.38 0.01 . 1 . . . . 83 TYR HN . 15172 1 359 . 1 1 83 83 TYR HA H 1 4.93 0.01 . 1 . . . . 83 TYR HA . 15172 1 360 . 1 1 83 83 TYR CA C 13 55.4 0.1 . 1 . . . . 83 TYR CA . 15172 1 361 . 1 1 83 83 TYR CB C 13 37.7 0.1 . 1 . . . . 83 TYR CB . 15172 1 362 . 1 1 83 83 TYR N N 15 121.2 0.1 . 1 . . . . 83 TYR N . 15172 1 363 . 1 1 84 84 ASP H H 1 8.75 0.01 . 1 . . . . 84 ASP HN . 15172 1 364 . 1 1 84 84 ASP HA H 1 4.49 0.01 . 1 . . . . 84 ASP HA . 15172 1 365 . 1 1 84 84 ASP CA C 13 54.1 0.1 . 1 . . . . 84 ASP CA . 15172 1 366 . 1 1 84 84 ASP CB C 13 40.6 0.1 . 1 . . . . 84 ASP CB . 15172 1 367 . 1 1 84 84 ASP N N 15 123.7 0.1 . 1 . . . . 84 ASP N . 15172 1 368 . 1 1 85 85 SER H H 1 8.73 0.01 . 1 . . . . 85 SER HN . 15172 1 369 . 1 1 85 85 SER HA H 1 4.22 0.01 . 1 . . . . 85 SER HA . 15172 1 370 . 1 1 85 85 SER CA C 13 60.2 0.1 . 1 . . . . 85 SER CA . 15172 1 371 . 1 1 85 85 SER CB C 13 62.6 0.1 . 1 . . . . 85 SER CB . 15172 1 372 . 1 1 85 85 SER N N 15 119.1 0.1 . 1 . . . . 85 SER N . 15172 1 373 . 1 1 86 86 ASP H H 1 8.46 0.01 . 1 . . . . 86 ASP HN . 15172 1 374 . 1 1 86 86 ASP HA H 1 4.69 0.01 . 1 . . . . 86 ASP HA . 15172 1 375 . 1 1 86 86 ASP CA C 13 53.2 0.1 . 1 . . . . 86 ASP CA . 15172 1 376 . 1 1 86 86 ASP CB C 13 39.9 0.1 . 1 . . . . 86 ASP CB . 15172 1 377 . 1 1 86 86 ASP N N 15 119.0 0.1 . 1 . . . . 86 ASP N . 15172 1 378 . 1 1 87 87 ALA H H 1 7.37 0.01 . 1 . . . . 87 ALA HN . 15172 1 379 . 1 1 87 87 ALA HA H 1 4.30 0.01 . 1 . . . . 87 ALA HA . 15172 1 380 . 1 1 87 87 ALA CA C 13 51.5 0.1 . 1 . . . . 87 ALA CA . 15172 1 381 . 1 1 87 87 ALA CB C 13 19.6 0.1 . 1 . . . . 87 ALA CB . 15172 1 382 . 1 1 87 87 ALA N N 15 122.1 0.1 . 1 . . . . 87 ALA N . 15172 1 383 . 1 1 88 88 ASP H H 1 8.56 0.01 . 1 . . . . 88 ASP HN . 15172 1 384 . 1 1 88 88 ASP HA H 1 4.65 0.01 . 1 . . . . 88 ASP HA . 15172 1 385 . 1 1 88 88 ASP CA C 13 53.1 0.1 . 1 . . . . 88 ASP CA . 15172 1 386 . 1 1 88 88 ASP CB C 13 40.6 0.1 . 1 . . . . 88 ASP CB . 15172 1 387 . 1 1 88 88 ASP N N 15 121.7 0.1 . 1 . . . . 88 ASP N . 15172 1 388 . 1 1 89 89 LYS H H 1 8.58 0.01 . 1 . . . . 89 LYS HN . 15172 1 389 . 1 1 89 89 LYS HA H 1 3.83 0.01 . 1 . . . . 89 LYS HA . 15172 1 390 . 1 1 89 89 LYS CA C 13 59.4 0.1 . 1 . . . . 89 LYS CA . 15172 1 391 . 1 1 89 89 LYS CB C 13 31.8 0.1 . 1 . . . . 89 LYS CB . 15172 1 392 . 1 1 89 89 LYS N N 15 125.9 0.1 . 1 . . . . 89 LYS N . 15172 1 393 . 1 1 90 90 LEU H H 1 8.01 0.01 . 1 . . . . 90 LEU HN . 15172 1 394 . 1 1 90 90 LEU HA H 1 4.17 0.01 . 1 . . . . 90 LEU HA . 15172 1 395 . 1 1 90 90 LEU CA C 13 57.0 0.1 . 1 . . . . 90 LEU CA . 15172 1 396 . 1 1 90 90 LEU CB C 13 40.5 0.1 . 1 . . . . 90 LEU CB . 15172 1 397 . 1 1 90 90 LEU N N 15 117.9 0.1 . 1 . . . . 90 LEU N . 15172 1 398 . 1 1 91 91 ALA H H 1 7.66 0.01 . 1 . . . . 91 ALA HN . 15172 1 399 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 1 400 . 1 1 91 91 ALA CA C 13 54.2 0.1 . 1 . . . . 91 ALA CA . 15172 1 401 . 1 1 91 91 ALA CB C 13 17.8 0.1 . 1 . . . . 91 ALA CB . 15172 1 402 . 1 1 91 91 ALA N N 15 122.5 0.1 . 1 . . . . 91 ALA N . 15172 1 403 . 1 1 92 92 VAL H H 1 8.15 0.01 . 1 . . . . 92 VAL HN . 15172 1 404 . 1 1 92 92 VAL HA H 1 3.83 0.01 . 1 . . . . 92 VAL HA . 15172 1 405 . 1 1 92 92 VAL CA C 13 65.6 0.1 . 1 . . . . 92 VAL CA . 15172 1 406 . 1 1 92 92 VAL CB C 13 30.8 0.1 . 1 . . . . 92 VAL CB . 15172 1 407 . 1 1 92 92 VAL N N 15 119.7 0.1 . 1 . . . . 92 VAL N . 15172 1 408 . 1 1 93 93 VAL H H 1 7.97 0.01 . 1 . . . . 93 VAL HN . 15172 1 409 . 1 1 93 93 VAL HA H 1 3.79 0.01 . 1 . . . . 93 VAL HA . 15172 1 410 . 1 1 93 93 VAL CA C 13 66.2 0.1 . 1 . . . . 93 VAL CA . 15172 1 411 . 1 1 93 93 VAL CB C 13 31.2 0.1 . 1 . . . . 93 VAL CB . 15172 1 412 . 1 1 93 93 VAL N N 15 120.2 0.1 . 1 . . . . 93 VAL N . 15172 1 413 . 1 1 94 94 ARG H H 1 7.60 0.01 . 1 . . . . 94 ARG HN . 15172 1 414 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 1 415 . 1 1 94 94 ARG CA C 13 59.4 0.1 . 1 . . . . 94 ARG CA . 15172 1 416 . 1 1 94 94 ARG CB C 13 29.4 0.1 . 1 . . . . 94 ARG CB . 15172 1 417 . 1 1 94 94 ARG N N 15 119.8 0.1 . 1 . . . . 94 ARG N . 15172 1 418 . 1 1 95 95 THR H H 1 8.23 0.01 . 1 . . . . 95 THR HN . 15172 1 419 . 1 1 95 95 THR HA H 1 4.06 0.01 . 1 . . . . 95 THR HA . 15172 1 420 . 1 1 95 95 THR CA C 13 66.0 0.1 . 1 . . . . 95 THR CA . 15172 1 421 . 1 1 95 95 THR CB C 13 67.8 0.1 . 1 . . . . 95 THR CB . 15172 1 422 . 1 1 95 95 THR N N 15 117.9 0.1 . 1 . . . . 95 THR N . 15172 1 423 . 1 1 96 96 TYR H H 1 9.07 0.01 . 1 . . . . 96 TYR HN . 15172 1 424 . 1 1 96 96 TYR HA H 1 3.94 0.01 . 1 . . . . 96 TYR HA . 15172 1 425 . 1 1 96 96 TYR CA C 13 61.4 0.1 . 1 . . . . 96 TYR CA . 15172 1 426 . 1 1 96 96 TYR CB C 13 37.6 0.1 . 1 . . . . 96 TYR CB . 15172 1 427 . 1 1 96 96 TYR N N 15 124.1 0.1 . 1 . . . . 96 TYR N . 15172 1 428 . 1 1 97 97 ASN H H 1 9.04 0.01 . 1 . . . . 97 ASN HN . 15172 1 429 . 1 1 97 97 ASN HA H 1 4.29 0.01 . 1 . . . . 97 ASN HA . 15172 1 430 . 1 1 97 97 ASN HD21 H 1 7.62 0.01 . 2 . . . . 97 ASN HD21 . 15172 1 431 . 1 1 97 97 ASN HD22 H 1 6.65 0.01 . 2 . . . . 97 ASN HD22 . 15172 1 432 . 1 1 97 97 ASN CA C 13 55.6 0.1 . 1 . . . . 97 ASN CA . 15172 1 433 . 1 1 97 97 ASN CB C 13 37.0 0.1 . 1 . . . . 97 ASN CB . 15172 1 434 . 1 1 97 97 ASN N N 15 118.8 0.1 . 1 . . . . 97 ASN N . 15172 1 435 . 1 1 97 97 ASN ND2 N 15 112.2 0.1 . 1 . . . . 97 ASN ND2 . 15172 1 436 . 1 1 98 98 ASP H H 1 8.32 0.01 . 1 . . . . 98 ASP HN . 15172 1 437 . 1 1 98 98 ASP HA H 1 4.46 0.01 . 1 . . . . 98 ASP HA . 15172 1 438 . 1 1 98 98 ASP CA C 13 57.4 0.1 . 1 . . . . 98 ASP CA . 15172 1 439 . 1 1 98 98 ASP CB C 13 40.7 0.1 . 1 . . . . 98 ASP CB . 15172 1 440 . 1 1 98 98 ASP N N 15 122.6 0.1 . 1 . . . . 98 ASP N . 15172 1 441 . 1 1 99 99 PHE H H 1 8.03 0.01 . 1 . . . . 99 PHE HN . 15172 1 442 . 1 1 99 99 PHE HA H 1 4.32 0.01 . 1 . . . . 99 PHE HA . 15172 1 443 . 1 1 99 99 PHE CA C 13 60.1 0.1 . 1 . . . . 99 PHE CA . 15172 1 444 . 1 1 99 99 PHE CB C 13 38.0 0.1 . 1 . . . . 99 PHE CB . 15172 1 445 . 1 1 99 99 PHE N N 15 121.7 0.1 . 1 . . . . 99 PHE N . 15172 1 446 . 1 1 100 100 ILE H H 1 8.18 0.01 . 1 . . . . 100 ILE HN . 15172 1 447 . 1 1 100 100 ILE HA H 1 3.13 0.01 . 1 . . . . 100 ILE HA . 15172 1 448 . 1 1 100 100 ILE CA C 13 60.5 0.1 . 1 . . . . 100 ILE CA . 15172 1 449 . 1 1 100 100 ILE N N 15 117.7 0.1 . 1 . . . . 100 ILE N . 15172 1 450 . 1 1 101 101 GLU H H 1 8.33 0.01 . 1 . . . . 101 GLU HN . 15172 1 451 . 1 1 101 101 GLU HA H 1 3.97 0.01 . 1 . . . . 101 GLU HA . 15172 1 452 . 1 1 101 101 GLU CA C 13 58.9 0.1 . 1 . . . . 101 GLU CA . 15172 1 453 . 1 1 101 101 GLU CB C 13 29.0 0.1 . 1 . . . . 101 GLU CB . 15172 1 454 . 1 1 101 101 GLU N N 15 125.7 0.1 . 1 . . . . 101 GLU N . 15172 1 455 . 1 1 102 102 LYS H H 1 8.24 0.01 . 1 . . . . 102 LYS HN . 15172 1 456 . 1 1 102 102 LYS HA H 1 4.09 0.01 . 1 . . . . 102 LYS HA . 15172 1 457 . 1 1 102 102 LYS CA C 13 57.9 0.1 . 1 . . . . 102 LYS CA . 15172 1 458 . 1 1 102 102 LYS CB C 13 32.6 0.1 . 1 . . . . 102 LYS CB . 15172 1 459 . 1 1 102 102 LYS N N 15 120.4 0.1 . 1 . . . . 102 LYS N . 15172 1 460 . 1 1 103 103 LEU H H 1 7.85 0.01 . 1 . . . . 103 LEU HN . 15172 1 461 . 1 1 103 103 LEU HA H 1 4.12 0.01 . 1 . . . . 103 LEU HA . 15172 1 462 . 1 1 103 103 LEU CA C 13 56.6 0.1 . 1 . . . . 103 LEU CA . 15172 1 463 . 1 1 103 103 LEU CB C 13 43.0 0.1 . 1 . . . . 103 LEU CB . 15172 1 464 . 1 1 103 103 LEU N N 15 116.8 0.1 . 1 . . . . 103 LEU N . 15172 1 465 . 1 1 104 104 THR H H 1 7.87 0.01 . 1 . . . . 104 THR HN . 15172 1 466 . 1 1 104 104 THR HA H 1 4.45 0.01 . 1 . . . . 104 THR HA . 15172 1 467 . 1 1 104 104 THR CA C 13 61.6 0.1 . 1 . . . . 104 THR CA . 15172 1 468 . 1 1 104 104 THR CB C 13 71.4 0.1 . 1 . . . . 104 THR CB . 15172 1 469 . 1 1 104 104 THR N N 15 103.6 0.1 . 1 . . . . 104 THR N . 15172 1 470 . 1 1 105 105 GLY H H 1 7.51 0.01 . 1 . . . . 105 GLY HN . 15172 1 471 . 1 1 105 105 GLY HA2 H 1 2.50 0.01 . 2 . . . . 105 GLY HA1 . 15172 1 472 . 1 1 105 105 GLY HA3 H 1 2.76 0.01 . 2 . . . . 105 GLY HA2 . 15172 1 473 . 1 1 105 105 GLY CA C 13 44.0 0.1 . 1 . . . . 105 GLY CA . 15172 1 474 . 1 1 105 105 GLY N N 15 110.1 0.1 . 1 . . . . 105 GLY N . 15172 1 475 . 1 1 106 106 TYR H H 1 7.18 0.01 . 1 . . . . 106 TYR HN . 15172 1 476 . 1 1 106 106 TYR HA H 1 5.07 0.01 . 1 . . . . 106 TYR HA . 15172 1 477 . 1 1 106 106 TYR CA C 13 55.8 0.1 . 1 . . . . 106 TYR CA . 15172 1 478 . 1 1 106 106 TYR CB C 13 40.2 0.1 . 1 . . . . 106 TYR CB . 15172 1 479 . 1 1 106 106 TYR N N 15 116.9 0.1 . 1 . . . . 106 TYR N . 15172 1 480 . 1 1 107 107 SER H H 1 9.07 0.01 . 1 . . . . 107 SER HN . 15172 1 481 . 1 1 107 107 SER HA H 1 4.38 0.01 . 1 . . . . 107 SER HA . 15172 1 482 . 1 1 107 107 SER CA C 13 55.7 0.1 . 1 . . . . 107 SER CA . 15172 1 483 . 1 1 107 107 SER CB C 13 65.3 0.1 . 1 . . . . 107 SER CB . 15172 1 484 . 1 1 107 107 SER N N 15 117.6 0.1 . 1 . . . . 107 SER N . 15172 1 485 . 1 1 108 108 ALA H H 1 9.00 0.01 . 1 . . . . 108 ALA HN . 15172 1 486 . 1 1 108 108 ALA HA H 1 4.00 0.01 . 1 . . . . 108 ALA HA . 15172 1 487 . 1 1 108 108 ALA CA C 13 55.0 0.1 . 1 . . . . 108 ALA CA . 15172 1 488 . 1 1 108 108 ALA CB C 13 17.3 0.1 . 1 . . . . 108 ALA CB . 15172 1 489 . 1 1 108 108 ALA N N 15 124.4 0.1 . 1 . . . . 108 ALA N . 15172 1 490 . 1 1 109 109 LYS H H 1 8.30 0.01 . 1 . . . . 109 LYS HN . 15172 1 491 . 1 1 109 109 LYS HA H 1 4.05 0.01 . 1 . . . . 109 LYS HA . 15172 1 492 . 1 1 109 109 LYS CA C 13 58.8 0.1 . 1 . . . . 109 LYS CA . 15172 1 493 . 1 1 109 109 LYS CB C 13 32.0 0.1 . 1 . . . . 109 LYS CB . 15172 1 494 . 1 1 109 109 LYS N N 15 118.5 0.1 . 1 . . . . 109 LYS N . 15172 1 495 . 1 1 110 110 GLU H H 1 7.74 0.01 . 1 . . . . 110 GLU HN . 15172 1 496 . 1 1 110 110 GLU HA H 1 4.02 0.01 . 1 . . . . 110 GLU HA . 15172 1 497 . 1 1 110 110 GLU CA C 13 58.5 0.1 . 1 . . . . 110 GLU CA . 15172 1 498 . 1 1 110 110 GLU CB C 13 29.9 0.1 . 1 . . . . 110 GLU CB . 15172 1 499 . 1 1 110 110 GLU N N 15 119.8 0.1 . 1 . . . . 110 GLU N . 15172 1 500 . 1 1 111 111 ARG H H 1 8.29 0.01 . 1 . . . . 111 ARG HN . 15172 1 501 . 1 1 111 111 ARG HA H 1 3.90 0.01 . 1 . . . . 111 ARG HA . 15172 1 502 . 1 1 111 111 ARG CA C 13 59.0 0.1 . 1 . . . . 111 ARG CA . 15172 1 503 . 1 1 111 111 ARG CB C 13 29.8 0.1 . 1 . . . . 111 ARG CB . 15172 1 504 . 1 1 111 111 ARG N N 15 118.5 0.1 . 1 . . . . 111 ARG N . 15172 1 505 . 1 1 112 112 LYS H H 1 7.85 0.01 . 1 . . . . 112 LYS HN . 15172 1 506 . 1 1 112 112 LYS HA H 1 4.11 0.01 . 1 . . . . 112 LYS HA . 15172 1 507 . 1 1 112 112 LYS CA C 13 58.3 0.1 . 1 . . . . 112 LYS CA . 15172 1 508 . 1 1 112 112 LYS CB C 13 31.7 0.1 . 1 . . . . 112 LYS CB . 15172 1 509 . 1 1 112 112 LYS N N 15 119.5 0.1 . 1 . . . . 112 LYS N . 15172 1 510 . 1 1 113 113 LYS H H 1 7.53 0.01 . 1 . . . . 113 LYS HN . 15172 1 511 . 1 1 113 113 LYS HA H 1 4.18 0.01 . 1 . . . . 113 LYS HA . 15172 1 512 . 1 1 113 113 LYS CA C 13 57.4 0.1 . 1 . . . . 113 LYS CA . 15172 1 513 . 1 1 113 113 LYS CB C 13 31.9 0.1 . 1 . . . . 113 LYS CB . 15172 1 514 . 1 1 113 113 LYS N N 15 118.6 0.1 . 1 . . . . 113 LYS N . 15172 1 515 . 1 1 114 114 MET H H 1 7.70 0.01 . 1 . . . . 114 MET HN . 15172 1 516 . 1 1 114 114 MET HA H 1 4.30 0.01 . 1 . . . . 114 MET HA . 15172 1 517 . 1 1 114 114 MET CA C 13 56.5 0.1 . 1 . . . . 114 MET CA . 15172 1 518 . 1 1 114 114 MET CB C 13 32.6 0.1 . 1 . . . . 114 MET CB . 15172 1 519 . 1 1 114 114 MET N N 15 117.5 0.1 . 1 . . . . 114 MET N . 15172 1 520 . 1 1 115 115 MET H H 1 7.79 0.01 . 1 . . . . 115 MET HN . 15172 1 521 . 1 1 115 115 MET HA H 1 4.50 0.01 . 1 . . . . 115 MET HA . 15172 1 522 . 1 1 115 115 MET CA C 13 55.4 0.1 . 1 . . . . 115 MET CA . 15172 1 523 . 1 1 115 115 MET CB C 13 32.2 0.1 . 1 . . . . 115 MET CB . 15172 1 524 . 1 1 115 115 MET N N 15 118.4 0.1 . 1 . . . . 115 MET N . 15172 1 525 . 1 1 116 116 THR H H 1 7.88 0.01 . 1 . . . . 116 THR HN . 15172 1 526 . 1 1 116 116 THR HA H 1 4.37 0.01 . 1 . . . . 116 THR HA . 15172 1 527 . 1 1 116 116 THR CA C 13 61.6 0.1 . 1 . . . . 116 THR CA . 15172 1 528 . 1 1 116 116 THR CB C 13 69.3 0.1 . 1 . . . . 116 THR CB . 15172 1 529 . 1 1 116 116 THR N N 15 114.3 0.1 . 1 . . . . 116 THR N . 15172 1 530 . 1 1 117 117 LYS H H 1 8.29 0.01 . 1 . . . . 117 LYS HN . 15172 1 531 . 1 1 117 117 LYS HA H 1 4.37 0.01 . 1 . . . . 117 LYS HA . 15172 1 532 . 1 1 117 117 LYS CA C 13 56.0 0.1 . 1 . . . . 117 LYS CA . 15172 1 533 . 1 1 117 117 LYS CB C 13 32.3 0.1 . 1 . . . . 117 LYS CB . 15172 1 534 . 1 1 117 117 LYS N N 15 123.6 0.1 . 1 . . . . 117 LYS N . 15172 1 535 . 1 1 118 118 ASP H H 1 8.34 0.01 . 1 . . . . 118 ASP HN . 15172 1 536 . 1 1 118 118 ASP HA H 1 4.66 0.01 . 1 . . . . 118 ASP HA . 15172 1 537 . 1 1 118 118 ASP CA C 13 53.9 0.1 . 1 . . . . 118 ASP CA . 15172 1 538 . 1 1 118 118 ASP CB C 13 40.7 0.1 . 1 . . . . 118 ASP CB . 15172 1 539 . 1 1 118 118 ASP N N 15 121.3 0.1 . 1 . . . . 118 ASP N . 15172 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15172 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; 6 HIS HB2 and HB3 protons are geminal atoms (code 2), but also they have interreesidue ambiguity (code 5), they could be for HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10 10 HIS HB2 and HB3 protons are geminal atoms (code 2), but also they have interreesidue ambiguity (code 5), they could be for HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10 Ambiguity code 5 for 6 HIS HA and 10 HIS HA is right; ambiguity is among HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10. Ambiguity code 5 for 1 MET atoms is right. This is the most likely assignment, but it could be for MET 23, MET 114 or MET 115. ; _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 13 '2D 1H-1H COSY' . . . 15172 2 14 '2D 1H-1H TOCSY' . . . 15172 2 15 '2D 1H-1H NOESY' . . . 15172 2 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 $SPARKY . . 15172 2 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 2 2 GLY H H 1 8.33 0.01 . 1 . . . . 2 GLY HN . 15172 2 2 . 1 1 2 2 GLY HA2 H 1 4.07 0.01 . 2 . . . . 2 GLY HA1 . 15172 2 3 . 1 1 2 2 GLY HA3 H 1 3.99 0.01 . 2 . . . . 2 GLY HA2 . 15172 2 4 . 1 1 3 3 THR H H 1 7.97 0.01 . 1 . . . . 3 THR HN . 15172 2 5 . 1 1 3 3 THR HA H 1 4.32 0.01 . 1 . . . . 3 THR HA . 15172 2 6 . 1 1 3 3 THR HB H 1 3.92 0.01 . 1 . . . . 3 THR HB . 15172 2 7 . 1 1 3 3 THR HG21 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 8 . 1 1 3 3 THR HG22 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 9 . 1 1 3 3 THR HG23 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 10 . 1 1 4 4 SER H H 1 8.46 0.01 . 1 . . . . 4 SER HN . 15172 2 11 . 1 1 4 4 SER HA H 1 4.30 0.01 . 1 . . . . 4 SER HA . 15172 2 12 . 1 1 4 4 SER HB2 H 1 3.79 0.01 . 2 . . . . 4 SER HB2 . 15172 2 13 . 1 1 4 4 SER HB3 H 1 3.95 0.01 . 2 . . . . 4 SER HB3 . 15172 2 14 . 1 1 6 6 HIS HA H 1 5.02 0.01 . 5 . . . . 6 HIS HA . 15172 2 15 . 1 1 6 6 HIS HB2 H 1 3.63 0.01 . 5 . . . . 6 HIS HB2 . 15172 2 16 . 1 1 6 6 HIS HB3 H 1 3.78 0.01 . 5 . . . . 6 HIS HB3 . 15172 2 17 . 1 1 10 10 HIS HA H 1 4.66 0.01 . 5 . . . . 10 HIS HA . 15172 2 18 . 1 1 10 10 HIS HB2 H 1 3.09 0.01 . 5 . . . . 10 HIS HB2 . 15172 2 19 . 1 1 10 10 HIS HB3 H 1 3.15 0.01 . 5 . . . . 10 HIS HB3 . 15172 2 20 . 1 1 11 11 SER HA H 1 4.58 0.01 . 1 . . . . 11 SER HA . 15172 2 21 . 1 1 11 11 SER HB2 H 1 3.87 0.01 . 2 . . . . 11 SER HB2 . 15172 2 22 . 1 1 11 11 SER HB3 H 1 3.91 0.01 . 2 . . . . 11 SER HB3 . 15172 2 23 . 1 1 12 12 SER HA H 1 4.51 0.01 . 1 . . . . 12 SER HA . 15172 2 24 . 1 1 12 12 SER HB2 H 1 3.93 0.01 . 2 . . . . 12 SER HB2 . 15172 2 25 . 1 1 12 12 SER HB3 H 1 3.97 0.01 . 2 . . . . 12 SER HB3 . 15172 2 26 . 1 1 13 13 GLY H H 1 8.55 0.01 . 1 . . . . 13 GLY HN . 15172 2 27 . 1 1 13 13 GLY HA2 H 1 4.00 0.01 . 2 . . . . 13 GLY HA1 . 15172 2 28 . 1 1 13 13 GLY HA3 H 1 4.07 0.01 . 2 . . . . 13 GLY HA2 . 15172 2 29 . 1 1 14 14 ARG H H 1 8.24 0.01 . 1 . . . . 14 ARG HN . 15172 2 30 . 1 1 14 14 ARG HA H 1 4.35 0.01 . 1 . . . . 14 ARG HA . 15172 2 31 . 1 1 14 14 ARG HB2 H 1 1.77 0.01 . 2 . . . . 14 ARG HB2 . 15172 2 32 . 1 1 14 14 ARG HB3 H 1 1.91 0.01 . 2 . . . . 14 ARG HB3 . 15172 2 33 . 1 1 14 14 ARG HG2 H 1 1.61 0.01 . 1 . . . . 14 ARG HG2 . 15172 2 34 . 1 1 14 14 ARG HG3 H 1 1.61 0.01 . 1 . . . . 14 ARG HG3 . 15172 2 35 . 1 1 14 14 ARG HD2 H 1 3.19 0.01 . 1 . . . . 14 ARG HD2 . 15172 2 36 . 1 1 14 14 ARG HD3 H 1 3.19 0.01 . 1 . . . . 14 ARG HD3 . 15172 2 37 . 1 1 15 15 GLU H H 1 8.68 0.01 . 1 . . . . 15 GLU HN . 15172 2 38 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . 15 GLU HA . 15172 2 39 . 1 1 15 15 GLU HB2 H 1 1.98 0.01 . 2 . . . . 15 GLU HB2 . 15172 2 40 . 1 1 15 15 GLU HB3 H 1 2.07 0.01 . 2 . . . . 15 GLU HB3 . 15172 2 41 . 1 1 15 15 GLU HG2 H 1 2.30 0.01 . 1 . . . . 15 GLU HG2 . 15172 2 42 . 1 1 15 15 GLU HG3 H 1 2.30 0.01 . 1 . . . . 15 GLU HG3 . 15172 2 43 . 1 1 16 16 ASN H H 1 8.44 0.01 . 1 . . . . 16 ASN HN . 15172 2 44 . 1 1 16 16 ASN HA H 1 4.69 0.01 . 1 . . . . 16 ASN HA . 15172 2 45 . 1 1 16 16 ASN HB2 H 1 2.73 0.01 . 2 . . . . 16 ASN HB2 . 15172 2 46 . 1 1 16 16 ASN HB3 H 1 2.82 0.01 . 2 . . . . 16 ASN HB3 . 15172 2 47 . 1 1 16 16 ASN HD21 H 1 7.61 0.01 . 2 . . . . 16 ASN HD21 . 15172 2 48 . 1 1 16 16 ASN HD22 H 1 6.94 0.01 . 2 . . . . 16 ASN HD22 . 15172 2 49 . 1 1 17 17 LEU H H 1 8.12 0.01 . 1 . . . . 17 LEU HN . 15172 2 50 . 1 1 17 17 LEU HA H 1 4.24 0.01 . 1 . . . . 17 LEU HA . 15172 2 51 . 1 1 17 17 LEU HB2 H 1 1.49 0.01 . 1 . . . . 17 LEU HB2 . 15172 2 52 . 1 1 17 17 LEU HB3 H 1 1.49 0.01 . 1 . . . . 17 LEU HB3 . 15172 2 53 . 1 1 17 17 LEU HG H 1 1.37 0.01 . 1 . . . . 17 LEU HG . 15172 2 54 . 1 1 17 17 LEU HD11 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 55 . 1 1 17 17 LEU HD12 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 56 . 1 1 17 17 LEU HD13 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 57 . 1 1 17 17 LEU HD21 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 58 . 1 1 17 17 LEU HD22 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 59 . 1 1 17 17 LEU HD23 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 60 . 1 1 18 18 TYR H H 1 8.14 0.01 . 1 . . . . 18 TYR HN . 15172 2 61 . 1 1 18 18 TYR HA H 1 4.51 0.01 . 1 . . . . 18 TYR HA . 15172 2 62 . 1 1 18 18 TYR HB2 H 1 2.90 0.01 . 2 . . . . 18 TYR HB2 . 15172 2 63 . 1 1 18 18 TYR HB3 H 1 2.99 0.01 . 2 . . . . 18 TYR HB3 . 15172 2 64 . 1 1 18 18 TYR HD1 H 1 7.03 0.01 . 1 . . . . 18 TYR HD1 . 15172 2 65 . 1 1 18 18 TYR HD2 H 1 7.03 0.01 . 1 . . . . 18 TYR HD2 . 15172 2 66 . 1 1 18 18 TYR HE1 H 1 6.79 0.01 . 1 . . . . 18 TYR HE1 . 15172 2 67 . 1 1 18 18 TYR HE2 H 1 6.79 0.01 . 1 . . . . 18 TYR HE2 . 15172 2 68 . 1 1 19 19 PHE H H 1 8.07 0.01 . 1 . . . . 19 PHE HN . 15172 2 69 . 1 1 19 19 PHE HA H 1 4.51 0.01 . 1 . . . . 19 PHE HA . 15172 2 70 . 1 1 19 19 PHE HB2 H 1 3.03 0.01 . 1 . . . . 19 PHE HB2 . 15172 2 71 . 1 1 19 19 PHE HB3 H 1 3.03 0.01 . 1 . . . . 19 PHE HB3 . 15172 2 72 . 1 1 19 19 PHE HD1 H 1 7.18 0.01 . 1 . . . . 19 PHE HD1 . 15172 2 73 . 1 1 19 19 PHE HD2 H 1 7.18 0.01 . 1 . . . . 19 PHE HD2 . 15172 2 74 . 1 1 19 19 PHE HE1 H 1 7.25 0.01 . 1 . . . . 19 PHE HE1 . 15172 2 75 . 1 1 19 19 PHE HE2 H 1 7.25 0.01 . 1 . . . . 19 PHE HE2 . 15172 2 76 . 1 1 20 20 GLN H H 1 8.27 0.01 . 1 . . . . 20 GLN HN . 15172 2 77 . 1 1 20 20 GLN HA H 1 4.25 0.01 . 1 . . . . 20 GLN HA . 15172 2 78 . 1 1 20 20 GLN HG2 H 1 2.29 0.01 . 1 . . . . 20 GLN HG2 . 15172 2 79 . 1 1 20 20 GLN HG3 H 1 2.29 0.01 . 1 . . . . 20 GLN HG3 . 15172 2 80 . 1 1 20 20 GLN HE21 H 1 7.52 0.01 . 2 . . . . 20 GLN HE21 . 15172 2 81 . 1 1 20 20 GLN HE22 H 1 6.86 0.01 . 2 . . . . 20 GLN HE22 . 15172 2 82 . 1 1 21 21 GLY H H 1 7.97 0.01 . 1 . . . . 21 GLY HN . 15172 2 83 . 1 1 21 21 GLY HA2 H 1 3.91 0.01 . 1 . . . . 21 GLY HA1 . 15172 2 84 . 1 1 21 21 GLY HA3 H 1 3.91 0.01 . 1 . . . . 21 GLY HA2 . 15172 2 85 . 1 1 22 22 HIS H H 1 8.15 0.01 . 1 . . . . 22 HIS HN . 15172 2 86 . 1 1 22 22 HIS HA H 1 4.73 0.01 . 1 . . . . 22 HIS HA . 15172 2 87 . 1 1 22 22 HIS HB2 H 1 3.07 0.01 . 2 . . . . 22 HIS HB2 . 15172 2 88 . 1 1 22 22 HIS HB3 H 1 3.22 0.01 . 2 . . . . 22 HIS HB3 . 15172 2 89 . 1 1 22 22 HIS HD2 H 1 7.06 0.01 . 1 . . . . 22 HIS HD2 . 15172 2 90 . 1 1 23 23 MET H H 1 8.26 0.01 . 1 . . . . 23 MET HN . 15172 2 91 . 1 1 23 23 MET HA H 1 4.73 0.01 . 1 . . . . 23 MET HA . 15172 2 92 . 1 1 23 23 MET HB2 H 1 1.95 0.01 . 1 . . . . 23 MET HB2 . 15172 2 93 . 1 1 23 23 MET HB3 H 1 1.95 0.01 . 1 . . . . 23 MET HB3 . 15172 2 94 . 1 1 23 23 MET HG2 H 1 2.41 0.01 . 2 . . . . 23 MET HG2 . 15172 2 95 . 1 1 23 23 MET HG3 H 1 2.49 0.01 . 2 . . . . 23 MET HG3 . 15172 2 96 . 1 1 24 24 ARG H H 1 8.96 0.01 . 1 . . . . 24 ARG HN . 15172 2 97 . 1 1 24 24 ARG HA H 1 4.54 0.01 . 1 . . . . 24 ARG HA . 15172 2 98 . 1 1 24 24 ARG HB2 H 1 1.69 0.01 . 2 . . . . 24 ARG HB2 . 15172 2 99 . 1 1 24 24 ARG HB3 H 1 1.78 0.01 . 2 . . . . 24 ARG HB3 . 15172 2 100 . 1 1 24 24 ARG HG2 H 1 1.60 0.01 . 1 . . . . 24 ARG HG2 . 15172 2 101 . 1 1 24 24 ARG HG3 H 1 1.60 0.01 . 1 . . . . 24 ARG HG3 . 15172 2 102 . 1 1 25 25 GLU H H 1 8.24 0.01 . 1 . . . . 25 GLU HN . 15172 2 103 . 1 1 25 25 GLU HA H 1 5.08 0.01 . 1 . . . . 25 GLU HA . 15172 2 104 . 1 1 25 25 GLU HB2 H 1 1.84 0.01 . 1 . . . . 25 GLU HB2 . 15172 2 105 . 1 1 25 25 GLU HB3 H 1 1.84 0.01 . 1 . . . . 25 GLU HB3 . 15172 2 106 . 1 1 25 25 GLU HG2 H 1 2.03 0.01 . 2 . . . . 25 GLU HG2 . 15172 2 107 . 1 1 25 25 GLU HG3 H 1 2.14 0.01 . 2 . . . . 25 GLU HG3 . 15172 2 108 . 1 1 26 26 TYR H H 1 9.09 0.01 . 1 . . . . 26 TYR HN . 15172 2 109 . 1 1 26 26 TYR HA H 1 5.07 0.01 . 1 . . . . 26 TYR HA . 15172 2 110 . 1 1 26 26 TYR HB2 H 1 2.60 0.01 . 2 . . . . 26 TYR HB2 . 15172 2 111 . 1 1 26 26 TYR HB3 H 1 3.38 0.01 . 2 . . . . 26 TYR HB3 . 15172 2 112 . 1 1 26 26 TYR HD1 H 1 6.99 0.01 . 1 . . . . 26 TYR HD1 . 15172 2 113 . 1 1 26 26 TYR HD2 H 1 6.99 0.01 . 1 . . . . 26 TYR HD2 . 15172 2 114 . 1 1 26 26 TYR HE1 H 1 6.73 0.01 . 1 . . . . 26 TYR HE1 . 15172 2 115 . 1 1 26 26 TYR HE2 H 1 6.73 0.01 . 1 . . . . 26 TYR HE2 . 15172 2 116 . 1 1 27 27 PRO HA H 1 4.73 0.01 . 1 . . . . 27 PRO HA . 15172 2 117 . 1 1 27 27 PRO HB2 H 1 1.81 0.01 . 2 . . . . 27 PRO HB2 . 15172 2 118 . 1 1 27 27 PRO HB3 H 1 2.37 0.01 . 2 . . . . 27 PRO HB3 . 15172 2 119 . 1 1 27 27 PRO HG2 H 1 1.97 0.01 . 1 . . . . 27 PRO HG2 . 15172 2 120 . 1 1 27 27 PRO HG3 H 1 1.97 0.01 . 1 . . . . 27 PRO HG3 . 15172 2 121 . 1 1 27 27 PRO HD2 H 1 3.79 0.01 . 1 . . . . 27 PRO HD2 . 15172 2 122 . 1 1 27 27 PRO HD3 H 1 3.79 0.01 . 1 . . . . 27 PRO HD3 . 15172 2 123 . 1 1 28 28 VAL H H 1 7.76 0.01 . 1 . . . . 28 VAL HN . 15172 2 124 . 1 1 28 28 VAL HA H 1 4.51 0.01 . 1 . . . . 28 VAL HA . 15172 2 125 . 1 1 28 28 VAL HB H 1 1.54 0.01 . 1 . . . . 28 VAL HB . 15172 2 126 . 1 1 28 28 VAL HG11 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 127 . 1 1 28 28 VAL HG12 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 128 . 1 1 28 28 VAL HG13 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 129 . 1 1 28 28 VAL HG21 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 130 . 1 1 28 28 VAL HG22 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 131 . 1 1 28 28 VAL HG23 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 132 . 1 1 29 29 LYS H H 1 8.65 0.01 . 1 . . . . 29 LYS HN . 15172 2 133 . 1 1 29 29 LYS HA H 1 3.86 0.01 . 1 . . . . 29 LYS HA . 15172 2 134 . 1 1 29 29 LYS HB2 H 1 0.41 0.01 . 2 . . . . 29 LYS HB2 . 15172 2 135 . 1 1 29 29 LYS HB3 H 1 1.27 0.01 . 2 . . . . 29 LYS HB3 . 15172 2 136 . 1 1 29 29 LYS HG2 H 1 1.01 0.01 . 2 . . . . 29 LYS HG2 . 15172 2 137 . 1 1 29 29 LYS HG3 H 1 1.59 0.01 . 2 . . . . 29 LYS HG3 . 15172 2 138 . 1 1 29 29 LYS HD2 H 1 1.09 0.01 . 2 . . . . 29 LYS HD2 . 15172 2 139 . 1 1 29 29 LYS HD3 H 1 1.44 0.01 . 2 . . . . 29 LYS HD3 . 15172 2 140 . 1 1 29 29 LYS HE2 H 1 2.42 0.01 . 2 . . . . 29 LYS HE2 . 15172 2 141 . 1 1 29 29 LYS HE3 H 1 2.71 0.01 . 2 . . . . 29 LYS HE3 . 15172 2 142 . 1 1 30 30 LYS H H 1 8.35 0.01 . 1 . . . . 30 LYS HN . 15172 2 143 . 1 1 30 30 LYS HA H 1 4.15 0.01 . 1 . . . . 30 LYS HA . 15172 2 144 . 1 1 30 30 LYS HE2 H 1 3.04 0.01 . 1 . . . . 30 LYS HE2 . 15172 2 145 . 1 1 30 30 LYS HE3 H 1 3.04 0.01 . 1 . . . . 30 LYS HE3 . 15172 2 146 . 1 1 31 31 GLY H H 1 8.89 0.01 . 1 . . . . 31 GLY HN . 15172 2 147 . 1 1 31 31 GLY HA2 H 1 4.39 0.01 . 2 . . . . 31 GLY HA1 . 15172 2 148 . 1 1 31 31 GLY HA3 H 1 3.61 0.01 . 2 . . . . 31 GLY HA2 . 15172 2 149 . 1 1 32 32 PHE H H 1 8.50 0.01 . 1 . . . . 32 PHE HN . 15172 2 150 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 2 151 . 1 1 32 32 PHE HB2 H 1 2.89 0.01 . 2 . . . . 32 PHE HB2 . 15172 2 152 . 1 1 32 32 PHE HB3 H 1 3.46 0.01 . 2 . . . . 32 PHE HB3 . 15172 2 153 . 1 1 32 32 PHE HD1 H 1 7.05 0.01 . 1 . . . . 32 PHE HD1 . 15172 2 154 . 1 1 32 32 PHE HD2 H 1 7.05 0.01 . 1 . . . . 32 PHE HD2 . 15172 2 155 . 1 1 32 32 PHE HE1 H 1 7.29 0.01 . 1 . . . . 32 PHE HE1 . 15172 2 156 . 1 1 32 32 PHE HE2 H 1 7.29 0.01 . 1 . . . . 32 PHE HE2 . 15172 2 157 . 1 1 32 32 PHE HZ H 1 7.33 0.01 . 1 . . . . 32 PHE HZ . 15172 2 158 . 1 1 33 33 PRO HA H 1 4.48 0.01 . 1 . . . . 33 PRO HA . 15172 2 159 . 1 1 33 33 PRO HB2 H 1 1.97 0.01 . 2 . . . . 33 PRO HB2 . 15172 2 160 . 1 1 33 33 PRO HB3 H 1 2.14 0.01 . 2 . . . . 33 PRO HB3 . 15172 2 161 . 1 1 33 33 PRO HG2 H 1 2.13 0.01 . 1 . . . . 33 PRO HG2 . 15172 2 162 . 1 1 33 33 PRO HG3 H 1 2.13 0.01 . 1 . . . . 33 PRO HG3 . 15172 2 163 . 1 1 33 33 PRO HD2 H 1 3.70 0.01 . 2 . . . . 33 PRO HD2 . 15172 2 164 . 1 1 33 33 PRO HD3 H 1 4.12 0.01 . 2 . . . . 33 PRO HD3 . 15172 2 165 . 1 1 34 34 THR H H 1 8.32 0.01 . 1 . . . . 34 THR HN . 15172 2 166 . 1 1 34 34 THR HA H 1 4.57 0.01 . 1 . . . . 34 THR HA . 15172 2 167 . 1 1 34 34 THR HB H 1 4.67 0.01 . 1 . . . . 34 THR HB . 15172 2 168 . 1 1 34 34 THR HG21 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 169 . 1 1 34 34 THR HG22 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 170 . 1 1 34 34 THR HG23 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 171 . 1 1 35 35 ASP H H 1 7.64 0.01 . 1 . . . . 35 ASP HN . 15172 2 172 . 1 1 35 35 ASP HA H 1 5.00 0.01 . 1 . . . . 35 ASP HA . 15172 2 173 . 1 1 35 35 ASP HB2 H 1 2.80 0.01 . 2 . . . . 35 ASP HB2 . 15172 2 174 . 1 1 35 35 ASP HB3 H 1 3.05 0.01 . 2 . . . . 35 ASP HB3 . 15172 2 175 . 1 1 36 36 TYR H H 1 8.70 0.01 . 1 . . . . 36 TYR HN . 15172 2 176 . 1 1 36 36 TYR HA H 1 3.84 0.01 . 1 . . . . 36 TYR HA . 15172 2 177 . 1 1 36 36 TYR HB2 H 1 3.08 0.01 . 2 . . . . 36 TYR HB2 . 15172 2 178 . 1 1 36 36 TYR HB3 H 1 3.17 0.01 . 2 . . . . 36 TYR HB3 . 15172 2 179 . 1 1 36 36 TYR HD1 H 1 7.28 0.01 . 1 . . . . 36 TYR HD1 . 15172 2 180 . 1 1 36 36 TYR HD2 H 1 7.28 0.01 . 1 . . . . 36 TYR HD2 . 15172 2 181 . 1 1 36 36 TYR HE1 H 1 6.87 0.01 . 1 . . . . 36 TYR HE1 . 15172 2 182 . 1 1 36 36 TYR HE2 H 1 6.87 0.01 . 1 . . . . 36 TYR HE2 . 15172 2 183 . 1 1 37 37 ASP H H 1 8.71 0.01 . 1 . . . . 37 ASP HN . 15172 2 184 . 1 1 37 37 ASP HA H 1 4.43 0.01 . 1 . . . . 37 ASP HA . 15172 2 185 . 1 1 37 37 ASP HB2 H 1 2.72 0.01 . 2 . . . . 37 ASP HB2 . 15172 2 186 . 1 1 37 37 ASP HB3 H 1 2.80 0.01 . 2 . . . . 37 ASP HB3 . 15172 2 187 . 1 1 38 38 SER H H 1 8.31 0.01 . 1 . . . . 38 SER HN . 15172 2 188 . 1 1 38 38 SER HA H 1 4.23 0.01 . 1 . . . . 38 SER HA . 15172 2 189 . 1 1 38 38 SER HB2 H 1 3.85 0.01 . 2 . . . . 38 SER HB2 . 15172 2 190 . 1 1 38 38 SER HB3 H 1 3.90 0.01 . 2 . . . . 38 SER HB3 . 15172 2 191 . 1 1 39 39 ILE H H 1 8.41 0.01 . 1 . . . . 39 ILE HN . 15172 2 192 . 1 1 39 39 ILE HA H 1 3.57 0.01 . 1 . . . . 39 ILE HA . 15172 2 193 . 1 1 39 39 ILE HB H 1 1.72 0.01 . 1 . . . . 39 ILE HB . 15172 2 194 . 1 1 39 39 ILE HG12 H 1 0.94 0.01 . 2 . . . . 39 ILE HG12 . 15172 2 195 . 1 1 39 39 ILE HG13 H 1 1.59 0.01 . 2 . . . . 39 ILE HG13 . 15172 2 196 . 1 1 39 39 ILE HG21 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 197 . 1 1 39 39 ILE HG22 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 198 . 1 1 39 39 ILE HG23 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 199 . 1 1 39 39 ILE HD11 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 200 . 1 1 39 39 ILE HD12 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 201 . 1 1 39 39 ILE HD13 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 202 . 1 1 40 40 LYS H H 1 8.11 0.01 . 1 . . . . 40 LYS HN . 15172 2 203 . 1 1 40 40 LYS HA H 1 3.81 0.01 . 1 . . . . 40 LYS HA . 15172 2 204 . 1 1 40 40 LYS HB2 H 1 1.89 0.01 . 2 . . . . 40 LYS HB2 . 15172 2 205 . 1 1 40 40 LYS HB3 H 1 1.97 0.01 . 2 . . . . 40 LYS HB3 . 15172 2 206 . 1 1 40 40 LYS HG2 H 1 1.35 0.01 . 1 . . . . 40 LYS HG2 . 15172 2 207 . 1 1 40 40 LYS HG3 H 1 1.35 0.01 . 1 . . . . 40 LYS HG3 . 15172 2 208 . 1 1 40 40 LYS HD2 H 1 1.72 0.01 . 1 . . . . 40 LYS HD2 . 15172 2 209 . 1 1 40 40 LYS HD3 H 1 1.72 0.01 . 1 . . . . 40 LYS HD3 . 15172 2 210 . 1 1 41 41 ARG H H 1 8.03 0.01 . 1 . . . . 41 ARG HN . 15172 2 211 . 1 1 41 41 ARG HA H 1 4.07 0.01 . 1 . . . . 41 ARG HA . 15172 2 212 . 1 1 41 41 ARG HB2 H 1 1.82 0.01 . 2 . . . . 41 ARG HB2 . 15172 2 213 . 1 1 41 41 ARG HB3 H 1 1.93 0.01 . 2 . . . . 41 ARG HB3 . 15172 2 214 . 1 1 41 41 ARG HG2 H 1 1.63 0.01 . 2 . . . . 41 ARG HG2 . 15172 2 215 . 1 1 41 41 ARG HG3 H 1 1.82 0.01 . 2 . . . . 41 ARG HG3 . 15172 2 216 . 1 1 41 41 ARG HD2 H 1 3.25 0.01 . 2 . . . . 41 ARG HD2 . 15172 2 217 . 1 1 41 41 ARG HD3 H 1 3.28 0.01 . 2 . . . . 41 ARG HD3 . 15172 2 218 . 1 1 41 41 ARG HE H 1 7.45 0.01 . 1 . . . . 41 ARG HE . 15172 2 219 . 1 1 42 42 LYS H H 1 8.00 0.01 . 1 . . . . 42 LYS HN . 15172 2 220 . 1 1 42 42 LYS HA H 1 4.22 0.01 . 1 . . . . 42 LYS HA . 15172 2 221 . 1 1 42 42 LYS HB2 H 1 1.76 0.01 . 2 . . . . 42 LYS HB2 . 15172 2 222 . 1 1 42 42 LYS HB3 H 1 1.99 0.01 . 2 . . . . 42 LYS HB3 . 15172 2 223 . 1 1 42 42 LYS HG2 H 1 1.51 0.01 . 1 . . . . 42 LYS HG2 . 15172 2 224 . 1 1 42 42 LYS HG3 H 1 1.51 0.01 . 1 . . . . 42 LYS HG3 . 15172 2 225 . 1 1 43 43 ILE H H 1 8.23 0.01 . 1 . . . . 43 ILE HN . 15172 2 226 . 1 1 43 43 ILE HA H 1 3.69 0.01 . 1 . . . . 43 ILE HA . 15172 2 227 . 1 1 43 43 ILE HB H 1 1.97 0.01 . 1 . . . . 43 ILE HB . 15172 2 228 . 1 1 43 43 ILE HG12 H 1 0.99 0.01 . 2 . . . . 43 ILE HG12 . 15172 2 229 . 1 1 43 43 ILE HG13 H 1 2.27 0.01 . 2 . . . . 43 ILE HG13 . 15172 2 230 . 1 1 43 43 ILE HG21 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 231 . 1 1 43 43 ILE HG22 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 232 . 1 1 43 43 ILE HG23 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 233 . 1 1 43 43 ILE HD11 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 234 . 1 1 43 43 ILE HD12 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 235 . 1 1 43 43 ILE HD13 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 236 . 1 1 44 44 SER H H 1 7.93 0.01 . 1 . . . . 44 SER HN . 15172 2 237 . 1 1 44 44 SER HA H 1 4.66 0.01 . 1 . . . . 44 SER HA . 15172 2 238 . 1 1 44 44 SER HB2 H 1 4.07 0.01 . 1 . . . . 44 SER HB2 . 15172 2 239 . 1 1 44 44 SER HB3 H 1 4.07 0.01 . 1 . . . . 44 SER HB3 . 15172 2 240 . 1 1 45 45 GLU H H 1 8.59 0.01 . 1 . . . . 45 GLU HN . 15172 2 241 . 1 1 45 45 GLU HA H 1 4.07 0.01 . 1 . . . . 45 GLU HA . 15172 2 242 . 1 1 45 45 GLU HB2 H 1 2.22 0.01 . 2 . . . . 45 GLU HB2 . 15172 2 243 . 1 1 45 45 GLU HB3 H 1 2.36 0.01 . 2 . . . . 45 GLU HB3 . 15172 2 244 . 1 1 45 45 GLU HG2 H 1 2.28 0.01 . 2 . . . . 45 GLU HG2 . 15172 2 245 . 1 1 45 45 GLU HG3 H 1 2.54 0.01 . 2 . . . . 45 GLU HG3 . 15172 2 246 . 1 1 46 46 LEU H H 1 7.86 0.01 . 1 . . . . 46 LEU HN . 15172 2 247 . 1 1 46 46 LEU HA H 1 4.14 0.01 . 1 . . . . 46 LEU HA . 15172 2 248 . 1 1 46 46 LEU HB2 H 1 1.55 0.01 . 1 . . . . 46 LEU HB2 . 15172 2 249 . 1 1 46 46 LEU HB3 H 1 1.55 0.01 . 1 . . . . 46 LEU HB3 . 15172 2 250 . 1 1 46 46 LEU HG H 1 1.62 0.01 . 1 . . . . 46 LEU HG . 15172 2 251 . 1 1 46 46 LEU HD11 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 252 . 1 1 46 46 LEU HD12 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 253 . 1 1 46 46 LEU HD13 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 254 . 1 1 46 46 LEU HD21 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 255 . 1 1 46 46 LEU HD22 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 256 . 1 1 46 46 LEU HD23 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 257 . 1 1 47 47 GLY H H 1 7.86 0.01 . 1 . . . . 47 GLY HN . 15172 2 258 . 1 1 47 47 GLY HA2 H 1 3.96 0.01 . 2 . . . . 47 GLY HA1 . 15172 2 259 . 1 1 47 47 GLY HA3 H 1 3.69 0.01 . 2 . . . . 47 GLY HA2 . 15172 2 260 . 1 1 48 48 PHE H H 1 7.29 0.01 . 1 . . . . 48 PHE HN . 15172 2 261 . 1 1 48 48 PHE HA H 1 5.22 0.01 . 1 . . . . 48 PHE HA . 15172 2 262 . 1 1 48 48 PHE HB2 H 1 2.72 0.01 . 2 . . . . 48 PHE HB2 . 15172 2 263 . 1 1 48 48 PHE HB3 H 1 3.62 0.01 . 2 . . . . 48 PHE HB3 . 15172 2 264 . 1 1 48 48 PHE HD1 H 1 7.27 0.01 . 1 . . . . 48 PHE HD1 . 15172 2 265 . 1 1 48 48 PHE HD2 H 1 7.27 0.01 . 1 . . . . 48 PHE HD2 . 15172 2 266 . 1 1 48 48 PHE HE1 H 1 7.36 0.01 . 1 . . . . 48 PHE HE1 . 15172 2 267 . 1 1 48 48 PHE HE2 H 1 7.36 0.01 . 1 . . . . 48 PHE HE2 . 15172 2 268 . 1 1 48 48 PHE HZ H 1 7.41 0.01 . 1 . . . . 48 PHE HZ . 15172 2 269 . 1 1 49 49 ASP H H 1 8.40 0.01 . 1 . . . . 49 ASP HN . 15172 2 270 . 1 1 49 49 ASP HA H 1 4.70 0.01 . 1 . . . . 49 ASP HA . 15172 2 271 . 1 1 49 49 ASP HB2 H 1 2.67 0.01 . 2 . . . . 49 ASP HB2 . 15172 2 272 . 1 1 49 49 ASP HB3 H 1 2.73 0.01 . 2 . . . . 49 ASP HB3 . 15172 2 273 . 1 1 50 50 VAL H H 1 8.05 0.01 . 1 . . . . 50 VAL HN . 15172 2 274 . 1 1 50 50 VAL HA H 1 5.41 0.01 . 1 . . . . 50 VAL HA . 15172 2 275 . 1 1 50 50 VAL HB H 1 2.10 0.01 . 1 . . . . 50 VAL HB . 15172 2 276 . 1 1 50 50 VAL HG11 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 277 . 1 1 50 50 VAL HG12 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 278 . 1 1 50 50 VAL HG13 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 279 . 1 1 50 50 VAL HG21 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 280 . 1 1 50 50 VAL HG22 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 281 . 1 1 50 50 VAL HG23 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 282 . 1 1 51 51 LYS H H 1 8.92 0.01 . 1 . . . . 51 LYS HN . 15172 2 283 . 1 1 51 51 LYS HA H 1 4.86 0.01 . 1 . . . . 51 LYS HA . 15172 2 284 . 1 1 51 51 LYS HB2 H 1 1.90 0.01 . 2 . . . . 51 LYS HB2 . 15172 2 285 . 1 1 51 51 LYS HB3 H 1 2.05 0.01 . 2 . . . . 51 LYS HB3 . 15172 2 286 . 1 1 51 51 LYS HG2 H 1 1.26 0.01 . 2 . . . . 51 LYS HG2 . 15172 2 287 . 1 1 51 51 LYS HG3 H 1 1.51 0.01 . 2 . . . . 51 LYS HG3 . 15172 2 288 . 1 1 51 51 LYS HD2 H 1 1.74 0.01 . 1 . . . . 51 LYS HD2 . 15172 2 289 . 1 1 51 51 LYS HD3 H 1 1.74 0.01 . 1 . . . . 51 LYS HD3 . 15172 2 290 . 1 1 52 52 SER H H 1 8.80 0.01 . 1 . . . . 52 SER HN . 15172 2 291 . 1 1 52 52 SER HA H 1 5.16 0.01 . 1 . . . . 52 SER HA . 15172 2 292 . 1 1 52 52 SER HB2 H 1 3.86 0.01 . 2 . . . . 52 SER HB2 . 15172 2 293 . 1 1 52 52 SER HB3 H 1 4.00 0.01 . 2 . . . . 52 SER HB3 . 15172 2 294 . 1 1 53 53 GLU H H 1 8.57 0.01 . 1 . . . . 53 GLU HN . 15172 2 295 . 1 1 53 53 GLU HA H 1 4.55 0.01 . 1 . . . . 53 GLU HA . 15172 2 296 . 1 1 53 53 GLU HB2 H 1 1.86 0.01 . 2 . . . . 53 GLU HB2 . 15172 2 297 . 1 1 53 53 GLU HB3 H 1 2.02 0.01 . 2 . . . . 53 GLU HB3 . 15172 2 298 . 1 1 53 53 GLU HG2 H 1 2.18 0.01 . 1 . . . . 53 GLU HG2 . 15172 2 299 . 1 1 53 53 GLU HG3 H 1 2.18 0.01 . 1 . . . . 53 GLU HG3 . 15172 2 300 . 1 1 54 54 GLY H H 1 9.09 0.01 . 1 . . . . 54 GLY HN . 15172 2 301 . 1 1 54 54 GLY HA2 H 1 4.06 0.01 . 2 . . . . 54 GLY HA1 . 15172 2 302 . 1 1 54 54 GLY HA3 H 1 3.71 0.01 . 2 . . . . 54 GLY HA2 . 15172 2 303 . 1 1 55 55 ASP H H 1 8.88 0.01 . 1 . . . . 55 ASP HN . 15172 2 304 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 2 305 . 1 1 55 55 ASP HB2 H 1 2.79 0.01 . 2 . . . . 55 ASP HB2 . 15172 2 306 . 1 1 55 55 ASP HB3 H 1 2.92 0.01 . 2 . . . . 55 ASP HB3 . 15172 2 307 . 1 1 56 56 LEU H H 1 8.29 0.01 . 1 . . . . 56 LEU HN . 15172 2 308 . 1 1 56 56 LEU HA H 1 5.09 0.01 . 1 . . . . 56 LEU HA . 15172 2 309 . 1 1 56 56 LEU HB2 H 1 1.35 0.01 . 2 . . . . 56 LEU HB2 . 15172 2 310 . 1 1 56 56 LEU HB3 H 1 2.11 0.01 . 2 . . . . 56 LEU HB3 . 15172 2 311 . 1 1 56 56 LEU HG H 1 1.86 0.01 . 1 . . . . 56 LEU HG . 15172 2 312 . 1 1 56 56 LEU HD11 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 313 . 1 1 56 56 LEU HD12 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 314 . 1 1 56 56 LEU HD13 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 315 . 1 1 56 56 LEU HD21 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 316 . 1 1 56 56 LEU HD22 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 317 . 1 1 56 56 LEU HD23 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 318 . 1 1 57 57 ILE H H 1 9.19 0.01 . 1 . . . . 57 ILE HN . 15172 2 319 . 1 1 57 57 ILE HA H 1 4.40 0.01 . 1 . . . . 57 ILE HA . 15172 2 320 . 1 1 57 57 ILE HB H 1 1.85 0.01 . 1 . . . . 57 ILE HB . 15172 2 321 . 1 1 57 57 ILE HG12 H 1 1.43 0.01 . 2 . . . . 57 ILE HG12 . 15172 2 322 . 1 1 57 57 ILE HG13 H 1 1.75 0.01 . 2 . . . . 57 ILE HG13 . 15172 2 323 . 1 1 57 57 ILE HG21 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 324 . 1 1 57 57 ILE HG22 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 325 . 1 1 57 57 ILE HG23 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 326 . 1 1 57 57 ILE HD11 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 327 . 1 1 57 57 ILE HD12 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 328 . 1 1 57 57 ILE HD13 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 329 . 1 1 58 58 ILE H H 1 9.18 0.01 . 1 . . . . 58 ILE HN . 15172 2 330 . 1 1 58 58 ILE HA H 1 5.27 0.01 . 1 . . . . 58 ILE HA . 15172 2 331 . 1 1 58 58 ILE HB H 1 2.02 0.01 . 1 . . . . 58 ILE HB . 15172 2 332 . 1 1 58 58 ILE HG12 H 1 1.34 0.01 . 1 . . . . 58 ILE HG12 . 15172 2 333 . 1 1 58 58 ILE HG13 H 1 1.34 0.01 . 1 . . . . 58 ILE HG13 . 15172 2 334 . 1 1 58 58 ILE HG21 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 335 . 1 1 58 58 ILE HG22 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 336 . 1 1 58 58 ILE HG23 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 337 . 1 1 58 58 ILE HD11 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 338 . 1 1 58 58 ILE HD12 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 339 . 1 1 58 58 ILE HD13 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 340 . 1 1 59 59 ALA H H 1 9.39 0.01 . 1 . . . . 59 ALA HN . 15172 2 341 . 1 1 59 59 ALA HA H 1 5.57 0.01 . 1 . . . . 59 ALA HA . 15172 2 342 . 1 1 59 59 ALA HB1 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 343 . 1 1 59 59 ALA HB2 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 344 . 1 1 59 59 ALA HB3 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 345 . 1 1 60 60 SER H H 1 7.74 0.01 . 1 . . . . 60 SER HN . 15172 2 346 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 2 347 . 1 1 60 60 SER HB2 H 1 3.69 0.01 . 2 . . . . 60 SER HB2 . 15172 2 348 . 1 1 60 60 SER HB3 H 1 3.90 0.01 . 2 . . . . 60 SER HB3 . 15172 2 349 . 1 1 61 61 ILE H H 1 8.11 0.01 . 1 . . . . 61 ILE HN . 15172 2 350 . 1 1 61 61 ILE HA H 1 4.63 0.01 . 1 . . . . 61 ILE HA . 15172 2 351 . 1 1 61 61 ILE HB H 1 1.25 0.01 . 1 . . . . 61 ILE HB . 15172 2 352 . 1 1 61 61 ILE HG12 H 1 0.58 0.01 . 2 . . . . 61 ILE HG12 . 15172 2 353 . 1 1 61 61 ILE HG13 H 1 0.94 0.01 . 2 . . . . 61 ILE HG13 . 15172 2 354 . 1 1 61 61 ILE HG21 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 355 . 1 1 61 61 ILE HG22 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 356 . 1 1 61 61 ILE HG23 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 357 . 1 1 61 61 ILE HD11 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 358 . 1 1 61 61 ILE HD12 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 359 . 1 1 61 61 ILE HD13 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 360 . 1 1 62 62 PRO HA H 1 4.22 0.01 . 1 . . . . 62 PRO HA . 15172 2 361 . 1 1 62 62 PRO HB2 H 1 2.02 0.01 . 2 . . . . 62 PRO HB2 . 15172 2 362 . 1 1 62 62 PRO HB3 H 1 2.31 0.01 . 2 . . . . 62 PRO HB3 . 15172 2 363 . 1 1 62 62 PRO HG2 H 1 2.08 0.01 . 1 . . . . 62 PRO HG2 . 15172 2 364 . 1 1 62 62 PRO HG3 H 1 2.08 0.01 . 1 . . . . 62 PRO HG3 . 15172 2 365 . 1 1 62 62 PRO HD2 H 1 3.41 0.01 . 2 . . . . 62 PRO HD2 . 15172 2 366 . 1 1 62 62 PRO HD3 H 1 3.86 0.01 . 2 . . . . 62 PRO HD3 . 15172 2 367 . 1 1 63 63 GLY H H 1 8.41 0.01 . 1 . . . . 63 GLY HN . 15172 2 368 . 1 1 63 63 GLY HA2 H 1 4.42 0.01 . 2 . . . . 63 GLY HA1 . 15172 2 369 . 1 1 63 63 GLY HA3 H 1 3.53 0.01 . 2 . . . . 63 GLY HA2 . 15172 2 370 . 1 1 64 64 ILE H H 1 8.10 0.01 . 1 . . . . 64 ILE HN . 15172 2 371 . 1 1 64 64 ILE HA H 1 4.23 0.01 . 1 . . . . 64 ILE HA . 15172 2 372 . 1 1 64 64 ILE HB H 1 1.58 0.01 . 1 . . . . 64 ILE HB . 15172 2 373 . 1 1 64 64 ILE HG12 H 1 1.16 0.01 . 1 . . . . 64 ILE HG12 . 15172 2 374 . 1 1 64 64 ILE HG13 H 1 1.16 0.01 . 1 . . . . 64 ILE HG13 . 15172 2 375 . 1 1 64 64 ILE HG21 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 376 . 1 1 64 64 ILE HG22 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 377 . 1 1 64 64 ILE HG23 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 378 . 1 1 64 64 ILE HD11 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 379 . 1 1 64 64 ILE HD12 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 380 . 1 1 64 64 ILE HD13 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 381 . 1 1 65 65 SER H H 1 8.83 0.01 . 1 . . . . 65 SER HN . 15172 2 382 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 2 383 . 1 1 65 65 SER HB2 H 1 3.97 0.01 . 1 . . . . 65 SER HB2 . 15172 2 384 . 1 1 65 65 SER HB3 H 1 3.97 0.01 . 1 . . . . 65 SER HB3 . 15172 2 385 . 1 1 66 66 ARG H H 1 8.14 0.01 . 1 . . . . 66 ARG HN . 15172 2 386 . 1 1 66 66 ARG HA H 1 4.51 0.01 . 1 . . . . 66 ARG HA . 15172 2 387 . 1 1 66 66 ARG HB2 H 1 1.72 0.01 . 1 . . . . 66 ARG HB2 . 15172 2 388 . 1 1 66 66 ARG HB3 H 1 1.72 0.01 . 1 . . . . 66 ARG HB3 . 15172 2 389 . 1 1 66 66 ARG HD2 H 1 3.32 0.01 . 1 . . . . 66 ARG HD2 . 15172 2 390 . 1 1 66 66 ARG HD3 H 1 3.32 0.01 . 1 . . . . 66 ARG HD3 . 15172 2 391 . 1 1 67 67 ILE H H 1 8.87 0.01 . 1 . . . . 67 ILE HN . 15172 2 392 . 1 1 67 67 ILE HA H 1 4.50 0.01 . 1 . . . . 67 ILE HA . 15172 2 393 . 1 1 67 67 ILE HB H 1 1.75 0.01 . 1 . . . . 67 ILE HB . 15172 2 394 . 1 1 67 67 ILE HG12 H 1 0.86 0.01 . 2 . . . . 67 ILE HG12 . 15172 2 395 . 1 1 67 67 ILE HG13 H 1 1.58 0.01 . 2 . . . . 67 ILE HG13 . 15172 2 396 . 1 1 67 67 ILE HG21 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 397 . 1 1 67 67 ILE HG22 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 398 . 1 1 67 67 ILE HG23 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 399 . 1 1 67 67 ILE HD11 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 400 . 1 1 67 67 ILE HD12 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 401 . 1 1 67 67 ILE HD13 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 402 . 1 1 68 68 GLU H H 1 8.82 0.01 . 1 . . . . 68 GLU HN . 15172 2 403 . 1 1 68 68 GLU HA H 1 4.98 0.01 . 1 . . . . 68 GLU HA . 15172 2 404 . 1 1 68 68 GLU HB2 H 1 1.98 0.01 . 2 . . . . 68 GLU HB2 . 15172 2 405 . 1 1 68 68 GLU HB3 H 1 2.13 0.01 . 2 . . . . 68 GLU HB3 . 15172 2 406 . 1 1 68 68 GLU HG2 H 1 2.42 0.01 . 2 . . . . 68 GLU HG2 . 15172 2 407 . 1 1 68 68 GLU HG3 H 1 2.45 0.01 . 2 . . . . 68 GLU HG3 . 15172 2 408 . 1 1 69 69 ILE H H 1 9.81 0.01 . 1 . . . . 69 ILE HN . 15172 2 409 . 1 1 69 69 ILE HA H 1 5.16 0.01 . 1 . . . . 69 ILE HA . 15172 2 410 . 1 1 69 69 ILE HB H 1 1.75 0.01 . 1 . . . . 69 ILE HB . 15172 2 411 . 1 1 69 69 ILE HG21 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 412 . 1 1 69 69 ILE HG22 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 413 . 1 1 69 69 ILE HG23 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 414 . 1 1 69 69 ILE HD11 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 415 . 1 1 69 69 ILE HD12 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 416 . 1 1 69 69 ILE HD13 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 417 . 1 1 70 70 LYS H H 1 9.39 0.01 . 1 . . . . 70 LYS HN . 15172 2 418 . 1 1 70 70 LYS HA H 1 5.26 0.01 . 1 . . . . 70 LYS HA . 15172 2 419 . 1 1 70 70 LYS HB2 H 1 2.11 0.01 . 1 . . . . 70 LYS HB2 . 15172 2 420 . 1 1 70 70 LYS HB3 H 1 2.11 0.01 . 1 . . . . 70 LYS HB3 . 15172 2 421 . 1 1 70 70 LYS HG2 H 1 1.57 0.01 . 1 . . . . 70 LYS HG2 . 15172 2 422 . 1 1 70 70 LYS HG3 H 1 1.57 0.01 . 1 . . . . 70 LYS HG3 . 15172 2 423 . 1 1 70 70 LYS HD2 H 1 1.70 0.01 . 1 . . . . 70 LYS HD2 . 15172 2 424 . 1 1 70 70 LYS HD3 H 1 1.70 0.01 . 1 . . . . 70 LYS HD3 . 15172 2 425 . 1 1 70 70 LYS HE2 H 1 3.02 0.01 . 1 . . . . 70 LYS HE2 . 15172 2 426 . 1 1 70 70 LYS HE3 H 1 3.02 0.01 . 1 . . . . 70 LYS HE3 . 15172 2 427 . 1 1 71 71 PRO HA H 1 4.60 0.01 . 1 . . . . 71 PRO HA . 15172 2 428 . 1 1 71 71 PRO HB2 H 1 2.10 0.01 . 2 . . . . 71 PRO HB2 . 15172 2 429 . 1 1 71 71 PRO HB3 H 1 2.16 0.01 . 2 . . . . 71 PRO HB3 . 15172 2 430 . 1 1 71 71 PRO HG2 H 1 1.30 0.01 . 2 . . . . 71 PRO HG2 . 15172 2 431 . 1 1 71 71 PRO HG3 H 1 1.69 0.01 . 2 . . . . 71 PRO HG3 . 15172 2 432 . 1 1 71 71 PRO HD2 H 1 3.54 0.01 . 2 . . . . 71 PRO HD2 . 15172 2 433 . 1 1 71 71 PRO HD3 H 1 3.82 0.01 . 2 . . . . 71 PRO HD3 . 15172 2 434 . 1 1 72 72 ASP H H 1 8.42 0.01 . 1 . . . . 72 ASP HN . 15172 2 435 . 1 1 72 72 ASP HB2 H 1 2.49 0.01 . 2 . . . . 72 ASP HB2 . 15172 2 436 . 1 1 72 72 ASP HB3 H 1 2.60 0.01 . 2 . . . . 72 ASP HB3 . 15172 2 437 . 1 1 73 73 LYS H H 1 9.49 0.01 . 1 . . . . 73 LYS HN . 15172 2 438 . 1 1 73 73 LYS HA H 1 4.19 0.01 . 1 . . . . 73 LYS HA . 15172 2 439 . 1 1 73 73 LYS HB2 H 1 1.85 0.01 . 2 . . . . 73 LYS HB2 . 15172 2 440 . 1 1 73 73 LYS HB3 H 1 2.00 0.01 . 2 . . . . 73 LYS HB3 . 15172 2 441 . 1 1 73 73 LYS HG2 H 1 1.48 0.01 . 2 . . . . 73 LYS HG2 . 15172 2 442 . 1 1 73 73 LYS HG3 H 1 1.59 0.01 . 2 . . . . 73 LYS HG3 . 15172 2 443 . 1 1 73 73 LYS HD2 H 1 1.77 0.01 . 2 . . . . 73 LYS HD2 . 15172 2 444 . 1 1 73 73 LYS HD3 H 1 1.82 0.01 . 2 . . . . 73 LYS HD3 . 15172 2 445 . 1 1 73 73 LYS HE2 H 1 3.09 0.01 . 1 . . . . 73 LYS HE2 . 15172 2 446 . 1 1 73 73 LYS HE3 H 1 3.09 0.01 . 1 . . . . 73 LYS HE3 . 15172 2 447 . 1 1 74 74 ARG H H 1 8.82 0.01 . 1 . . . . 74 ARG HN . 15172 2 448 . 1 1 74 74 ARG HA H 1 4.21 0.01 . 1 . . . . 74 ARG HA . 15172 2 449 . 1 1 75 75 LYS H H 1 7.78 0.01 . 1 . . . . 75 LYS HN . 15172 2 450 . 1 1 75 75 LYS HA H 1 5.21 0.01 . 1 . . . . 75 LYS HA . 15172 2 451 . 1 1 75 75 LYS HB2 H 1 1.71 0.01 . 2 . . . . 75 LYS HB2 . 15172 2 452 . 1 1 75 75 LYS HB3 H 1 1.81 0.01 . 2 . . . . 75 LYS HB3 . 15172 2 453 . 1 1 75 75 LYS HG2 H 1 1.13 0.01 . 2 . . . . 75 LYS HG2 . 15172 2 454 . 1 1 75 75 LYS HG3 H 1 1.39 0.01 . 2 . . . . 75 LYS HG3 . 15172 2 455 . 1 1 75 75 LYS HD2 H 1 1.53 0.01 . 1 . . . . 75 LYS HD2 . 15172 2 456 . 1 1 75 75 LYS HD3 H 1 1.53 0.01 . 1 . . . . 75 LYS HD3 . 15172 2 457 . 1 1 75 75 LYS HE2 H 1 2.86 0.01 . 2 . . . . 75 LYS HE2 . 15172 2 458 . 1 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . 75 LYS HE3 . 15172 2 459 . 1 1 76 76 ILE H H 1 8.75 0.01 . 1 . . . . 76 ILE HN . 15172 2 460 . 1 1 76 76 ILE HA H 1 4.79 0.01 . 1 . . . . 76 ILE HA . 15172 2 461 . 1 1 76 76 ILE HB H 1 1.54 0.01 . 1 . . . . 76 ILE HB . 15172 2 462 . 1 1 76 76 ILE HG12 H 1 0.96 0.01 . 2 . . . . 76 ILE HG12 . 15172 2 463 . 1 1 76 76 ILE HG13 H 1 1.63 0.01 . 2 . . . . 76 ILE HG13 . 15172 2 464 . 1 1 76 76 ILE HG21 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 465 . 1 1 76 76 ILE HG22 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 466 . 1 1 76 76 ILE HG23 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 467 . 1 1 76 76 ILE HD11 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 468 . 1 1 76 76 ILE HD12 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 469 . 1 1 76 76 ILE HD13 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 470 . 1 1 77 77 LEU H H 1 8.59 0.01 . 1 . . . . 77 LEU HN . 15172 2 471 . 1 1 77 77 LEU HA H 1 5.23 0.01 . 1 . . . . 77 LEU HA . 15172 2 472 . 1 1 77 77 LEU HB2 H 1 1.70 0.01 . 2 . . . . 77 LEU HB2 . 15172 2 473 . 1 1 77 77 LEU HB3 H 1 2.00 0.01 . 2 . . . . 77 LEU HB3 . 15172 2 474 . 1 1 77 77 LEU HD11 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 475 . 1 1 77 77 LEU HD12 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 476 . 1 1 77 77 LEU HD13 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 477 . 1 1 77 77 LEU HD21 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 478 . 1 1 77 77 LEU HD22 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 479 . 1 1 77 77 LEU HD23 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 480 . 1 1 78 78 VAL H H 1 9.27 0.01 . 1 . . . . 78 VAL HN . 15172 2 481 . 1 1 78 78 VAL HA H 1 5.40 0.01 . 1 . . . . 78 VAL HA . 15172 2 482 . 1 1 78 78 VAL HB H 1 2.16 0.01 . 1 . . . . 78 VAL HB . 15172 2 483 . 1 1 78 78 VAL HG11 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 484 . 1 1 78 78 VAL HG12 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 485 . 1 1 78 78 VAL HG13 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 486 . 1 1 78 78 VAL HG21 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 487 . 1 1 78 78 VAL HG22 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 488 . 1 1 78 78 VAL HG23 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 489 . 1 1 79 79 ASN H H 1 9.56 0.01 . 1 . . . . 79 ASN HN . 15172 2 490 . 1 1 79 79 ASN HA H 1 5.52 0.01 . 1 . . . . 79 ASN HA . 15172 2 491 . 1 1 79 79 ASN HB2 H 1 2.77 0.01 . 2 . . . . 79 ASN HB2 . 15172 2 492 . 1 1 79 79 ASN HB3 H 1 3.13 0.01 . 2 . . . . 79 ASN HB3 . 15172 2 493 . 1 1 79 79 ASN HD21 H 1 7.69 0.01 . 2 . . . . 79 ASN HD21 . 15172 2 494 . 1 1 79 79 ASN HD22 H 1 6.78 0.01 . 2 . . . . 79 ASN HD22 . 15172 2 495 . 1 1 80 80 THR H H 1 8.72 0.01 . 1 . . . . 80 THR HN . 15172 2 496 . 1 1 80 80 THR HA H 1 4.63 0.01 . 1 . . . . 80 THR HA . 15172 2 497 . 1 1 80 80 THR HB H 1 4.36 0.01 . 1 . . . . 80 THR HB . 15172 2 498 . 1 1 80 80 THR HG21 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 499 . 1 1 80 80 THR HG22 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 500 . 1 1 80 80 THR HG23 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 501 . 1 1 81 81 GLY H H 1 8.10 0.01 . 1 . . . . 81 GLY HN . 15172 2 502 . 1 1 82 82 ASP H H 1 8.29 0.01 . 1 . . . . 82 ASP HN . 15172 2 503 . 1 1 82 82 ASP HA H 1 4.49 0.01 . 1 . . . . 82 ASP HA . 15172 2 504 . 1 1 82 82 ASP HB2 H 1 2.52 0.01 . 2 . . . . 82 ASP HB2 . 15172 2 505 . 1 1 82 82 ASP HB3 H 1 2.72 0.01 . 2 . . . . 82 ASP HB3 . 15172 2 506 . 1 1 83 83 TYR H H 1 8.27 0.01 . 1 . . . . 83 TYR HN . 15172 2 507 . 1 1 83 83 TYR HB2 H 1 2.99 0.01 . 2 . . . . 83 TYR HB2 . 15172 2 508 . 1 1 83 83 TYR HB3 H 1 3.05 0.01 . 2 . . . . 83 TYR HB3 . 15172 2 509 . 1 1 83 83 TYR HD1 H 1 7.00 0.01 . 1 . . . . 83 TYR HD1 . 15172 2 510 . 1 1 83 83 TYR HD2 H 1 7.00 0.01 . 1 . . . . 83 TYR HD2 . 15172 2 511 . 1 1 83 83 TYR HE1 H 1 6.62 0.01 . 1 . . . . 83 TYR HE1 . 15172 2 512 . 1 1 83 83 TYR HE2 H 1 6.62 0.01 . 1 . . . . 83 TYR HE2 . 15172 2 513 . 1 1 84 84 ASP H H 1 8.64 0.01 . 1 . . . . 84 ASP HN . 15172 2 514 . 1 1 84 84 ASP HA H 1 4.46 0.01 . 1 . . . . 84 ASP HA . 15172 2 515 . 1 1 84 84 ASP HB2 H 1 2.48 0.01 . 2 . . . . 84 ASP HB2 . 15172 2 516 . 1 1 84 84 ASP HB3 H 1 2.80 0.01 . 2 . . . . 84 ASP HB3 . 15172 2 517 . 1 1 85 85 SER H H 1 8.59 0.01 . 1 . . . . 85 SER HN . 15172 2 518 . 1 1 85 85 SER HA H 1 4.17 0.01 . 1 . . . . 85 SER HA . 15172 2 519 . 1 1 85 85 SER HB2 H 1 3.87 0.01 . 2 . . . . 85 SER HB2 . 15172 2 520 . 1 1 85 85 SER HB3 H 1 3.98 0.01 . 2 . . . . 85 SER HB3 . 15172 2 521 . 1 1 86 86 ASP H H 1 8.41 0.01 . 1 . . . . 86 ASP HN . 15172 2 522 . 1 1 86 86 ASP HA H 1 4.70 0.01 . 1 . . . . 86 ASP HA . 15172 2 523 . 1 1 86 86 ASP HB2 H 1 2.74 0.01 . 2 . . . . 86 ASP HB2 . 15172 2 524 . 1 1 86 86 ASP HB3 H 1 2.78 0.01 . 2 . . . . 86 ASP HB3 . 15172 2 525 . 1 1 87 87 ALA H H 1 7.49 0.01 . 1 . . . . 87 ALA HN . 15172 2 526 . 1 1 87 87 ALA HA H 1 4.30 0.01 . 1 . . . . 87 ALA HA . 15172 2 527 . 1 1 87 87 ALA HB1 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 528 . 1 1 87 87 ALA HB2 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 529 . 1 1 87 87 ALA HB3 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 530 . 1 1 88 88 ASP H H 1 8.46 0.01 . 1 . . . . 88 ASP HN . 15172 2 531 . 1 1 88 88 ASP HA H 1 4.64 0.01 . 1 . . . . 88 ASP HA . 15172 2 532 . 1 1 88 88 ASP HB2 H 1 2.70 0.01 . 2 . . . . 88 ASP HB2 . 15172 2 533 . 1 1 88 88 ASP HB3 H 1 2.88 0.01 . 2 . . . . 88 ASP HB3 . 15172 2 534 . 1 1 89 89 LYS H H 1 8.55 0.01 . 1 . . . . 89 LYS HN . 15172 2 535 . 1 1 89 89 LYS HA H 1 3.98 0.01 . 1 . . . . 89 LYS HA . 15172 2 536 . 1 1 89 89 LYS HB2 H 1 1.87 0.01 . 1 . . . . 89 LYS HB2 . 15172 2 537 . 1 1 89 89 LYS HB3 H 1 1.87 0.01 . 1 . . . . 89 LYS HB3 . 15172 2 538 . 1 1 89 89 LYS HG2 H 1 1.55 0.01 . 1 . . . . 89 LYS HG2 . 15172 2 539 . 1 1 89 89 LYS HG3 H 1 1.55 0.01 . 1 . . . . 89 LYS HG3 . 15172 2 540 . 1 1 89 89 LYS HD2 H 1 1.69 0.01 . 1 . . . . 89 LYS HD2 . 15172 2 541 . 1 1 89 89 LYS HD3 H 1 1.69 0.01 . 1 . . . . 89 LYS HD3 . 15172 2 542 . 1 1 90 90 LEU H H 1 8.09 0.01 . 1 . . . . 90 LEU HN . 15172 2 543 . 1 1 90 90 LEU HA H 1 4.24 0.01 . 1 . . . . 90 LEU HA . 15172 2 544 . 1 1 90 90 LEU HB2 H 1 1.75 0.01 . 2 . . . . 90 LEU HB2 . 15172 2 545 . 1 1 90 90 LEU HB3 H 1 1.94 0.01 . 2 . . . . 90 LEU HB3 . 15172 2 546 . 1 1 90 90 LEU HG H 1 1.62 0.01 . 1 . . . . 90 LEU HG . 15172 2 547 . 1 1 90 90 LEU HD11 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 548 . 1 1 90 90 LEU HD12 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 549 . 1 1 90 90 LEU HD13 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 550 . 1 1 90 90 LEU HD21 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 551 . 1 1 90 90 LEU HD22 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 552 . 1 1 90 90 LEU HD23 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 553 . 1 1 91 91 ALA H H 1 7.93 0.01 . 1 . . . . 91 ALA HN . 15172 2 554 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 2 555 . 1 1 91 91 ALA HB1 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 556 . 1 1 91 91 ALA HB2 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 557 . 1 1 91 91 ALA HB3 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 558 . 1 1 92 92 VAL H H 1 8.17 0.01 . 1 . . . . 92 VAL HN . 15172 2 559 . 1 1 92 92 VAL HA H 1 3.91 0.01 . 1 . . . . 92 VAL HA . 15172 2 560 . 1 1 92 92 VAL HB H 1 2.07 0.01 . 1 . . . . 92 VAL HB . 15172 2 561 . 1 1 92 92 VAL HG11 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 562 . 1 1 92 92 VAL HG12 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 563 . 1 1 92 92 VAL HG13 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 564 . 1 1 92 92 VAL HG21 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 565 . 1 1 92 92 VAL HG22 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 566 . 1 1 92 92 VAL HG23 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 567 . 1 1 93 93 VAL H H 1 7.85 0.01 . 1 . . . . 93 VAL HN . 15172 2 568 . 1 1 93 93 VAL HA H 1 3.86 0.01 . 1 . . . . 93 VAL HA . 15172 2 569 . 1 1 93 93 VAL HB H 1 2.24 0.01 . 1 . . . . 93 VAL HB . 15172 2 570 . 1 1 93 93 VAL HG11 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 571 . 1 1 93 93 VAL HG12 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 572 . 1 1 93 93 VAL HG13 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 573 . 1 1 93 93 VAL HG21 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 574 . 1 1 93 93 VAL HG22 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 575 . 1 1 93 93 VAL HG23 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 576 . 1 1 94 94 ARG H H 1 7.71 0.01 . 1 . . . . 94 ARG HN . 15172 2 577 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 2 578 . 1 1 94 94 ARG HB2 H 1 2.08 0.01 . 1 . . . . 94 ARG HB2 . 15172 2 579 . 1 1 94 94 ARG HB3 H 1 2.08 0.01 . 1 . . . . 94 ARG HB3 . 15172 2 580 . 1 1 94 94 ARG HG2 H 1 1.90 0.01 . 1 . . . . 94 ARG HG2 . 15172 2 581 . 1 1 94 94 ARG HG3 H 1 1.90 0.01 . 1 . . . . 94 ARG HG3 . 15172 2 582 . 1 1 94 94 ARG HD2 H 1 3.32 0.01 . 1 . . . . 94 ARG HD2 . 15172 2 583 . 1 1 94 94 ARG HD3 H 1 3.32 0.01 . 1 . . . . 94 ARG HD3 . 15172 2 584 . 1 1 95 95 THR H H 1 8.23 0.01 . 1 . . . . 95 THR HN . 15172 2 585 . 1 1 95 95 THR HA H 1 4.08 0.01 . 1 . . . . 95 THR HA . 15172 2 586 . 1 1 95 95 THR HB H 1 4.40 0.01 . 1 . . . . 95 THR HB . 15172 2 587 . 1 1 95 95 THR HG21 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 588 . 1 1 95 95 THR HG22 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 589 . 1 1 95 95 THR HG23 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 590 . 1 1 96 96 TYR H H 1 8.98 0.01 . 1 . . . . 96 TYR HN . 15172 2 591 . 1 1 96 96 TYR HA H 1 3.96 0.01 . 1 . . . . 96 TYR HA . 15172 2 592 . 1 1 96 96 TYR HB2 H 1 2.93 0.01 . 2 . . . . 96 TYR HB2 . 15172 2 593 . 1 1 96 96 TYR HB3 H 1 3.17 0.01 . 2 . . . . 96 TYR HB3 . 15172 2 594 . 1 1 96 96 TYR HD1 H 1 6.94 0.01 . 1 . . . . 96 TYR HD1 . 15172 2 595 . 1 1 96 96 TYR HD2 H 1 6.94 0.01 . 1 . . . . 96 TYR HD2 . 15172 2 596 . 1 1 96 96 TYR HE1 H 1 6.69 0.01 . 1 . . . . 96 TYR HE1 . 15172 2 597 . 1 1 96 96 TYR HE2 H 1 6.69 0.01 . 1 . . . . 96 TYR HE2 . 15172 2 598 . 1 1 97 97 ASN H H 1 9.03 0.01 . 1 . . . . 97 ASN HN . 15172 2 599 . 1 1 97 97 ASN HA H 1 4.30 0.01 . 1 . . . . 97 ASN HA . 15172 2 600 . 1 1 97 97 ASN HB2 H 1 2.88 0.01 . 2 . . . . 97 ASN HB2 . 15172 2 601 . 1 1 97 97 ASN HB3 H 1 3.10 0.01 . 2 . . . . 97 ASN HB3 . 15172 2 602 . 1 1 97 97 ASN HD21 H 1 7.74 0.01 . 2 . . . . 97 ASN HD21 . 15172 2 603 . 1 1 97 97 ASN HD22 H 1 7.07 0.01 . 2 . . . . 97 ASN HD22 . 15172 2 604 . 1 1 98 98 ASP H H 1 8.38 0.01 . 1 . . . . 98 ASP HN . 15172 2 605 . 1 1 98 98 ASP HA H 1 4.48 0.01 . 1 . . . . 98 ASP HA . 15172 2 606 . 1 1 98 98 ASP HB2 H 1 2.83 0.01 . 2 . . . . 98 ASP HB2 . 15172 2 607 . 1 1 98 98 ASP HB3 H 1 2.94 0.01 . 2 . . . . 98 ASP HB3 . 15172 2 608 . 1 1 99 99 PHE H H 1 8.06 0.01 . 1 . . . . 99 PHE HN . 15172 2 609 . 1 1 99 99 PHE HA H 1 4.33 0.01 . 1 . . . . 99 PHE HA . 15172 2 610 . 1 1 99 99 PHE HB2 H 1 3.12 0.01 . 2 . . . . 99 PHE HB2 . 15172 2 611 . 1 1 99 99 PHE HB3 H 1 3.33 0.01 . 2 . . . . 99 PHE HB3 . 15172 2 612 . 1 1 99 99 PHE HD1 H 1 6.93 0.01 . 1 . . . . 99 PHE HD1 . 15172 2 613 . 1 1 99 99 PHE HD2 H 1 6.93 0.01 . 1 . . . . 99 PHE HD2 . 15172 2 614 . 1 1 99 99 PHE HE1 H 1 6.90 0.01 . 1 . . . . 99 PHE HE1 . 15172 2 615 . 1 1 99 99 PHE HE2 H 1 6.90 0.01 . 1 . . . . 99 PHE HE2 . 15172 2 616 . 1 1 99 99 PHE HZ H 1 6.72 0.01 . 1 . . . . 99 PHE HZ . 15172 2 617 . 1 1 100 100 ILE H H 1 8.20 0.01 . 1 . . . . 100 ILE HN . 15172 2 618 . 1 1 100 100 ILE HA H 1 3.16 0.01 . 1 . . . . 100 ILE HA . 15172 2 619 . 1 1 100 100 ILE HB H 1 1.73 0.01 . 1 . . . . 100 ILE HB . 15172 2 620 . 1 1 100 100 ILE HG12 H 1 0.48 0.01 . 2 . . . . 100 ILE HG12 . 15172 2 621 . 1 1 100 100 ILE HG13 H 1 0.90 0.01 . 2 . . . . 100 ILE HG13 . 15172 2 622 . 1 1 100 100 ILE HG21 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 623 . 1 1 100 100 ILE HG22 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 624 . 1 1 100 100 ILE HG23 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 625 . 1 1 100 100 ILE HD11 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 626 . 1 1 100 100 ILE HD12 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 627 . 1 1 100 100 ILE HD13 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 628 . 1 1 101 101 GLU H H 1 8.37 0.01 . 1 . . . . 101 GLU HN . 15172 2 629 . 1 1 101 101 GLU HA H 1 3.98 0.01 . 1 . . . . 101 GLU HA . 15172 2 630 . 1 1 101 101 GLU HB2 H 1 1.98 0.01 . 2 . . . . 101 GLU HB2 . 15172 2 631 . 1 1 101 101 GLU HB3 H 1 2.15 0.01 . 2 . . . . 101 GLU HB3 . 15172 2 632 . 1 1 102 102 LYS H H 1 8.29 0.01 . 1 . . . . 102 LYS HN . 15172 2 633 . 1 1 102 102 LYS HA H 1 4.10 0.01 . 1 . . . . 102 LYS HA . 15172 2 634 . 1 1 102 102 LYS HB2 H 1 1.91 0.01 . 2 . . . . 102 LYS HB2 . 15172 2 635 . 1 1 102 102 LYS HB3 H 1 2.03 0.01 . 2 . . . . 102 LYS HB3 . 15172 2 636 . 1 1 102 102 LYS HG2 H 1 1.61 0.01 . 1 . . . . 102 LYS HG2 . 15172 2 637 . 1 1 102 102 LYS HG3 H 1 1.61 0.01 . 1 . . . . 102 LYS HG3 . 15172 2 638 . 1 1 102 102 LYS HD2 H 1 1.72 0.01 . 1 . . . . 102 LYS HD2 . 15172 2 639 . 1 1 102 102 LYS HD3 H 1 1.72 0.01 . 1 . . . . 102 LYS HD3 . 15172 2 640 . 1 1 102 102 LYS HE2 H 1 3.08 0.01 . 1 . . . . 102 LYS HE2 . 15172 2 641 . 1 1 102 102 LYS HE3 H 1 3.08 0.01 . 1 . . . . 102 LYS HE3 . 15172 2 642 . 1 1 103 103 LEU H H 1 7.91 0.01 . 1 . . . . 103 LEU HN . 15172 2 643 . 1 1 103 103 LEU HA H 1 4.16 0.01 . 1 . . . . 103 LEU HA . 15172 2 644 . 1 1 103 103 LEU HB2 H 1 1.01 0.01 . 2 . . . . 103 LEU HB2 . 15172 2 645 . 1 1 103 103 LEU HB3 H 1 1.32 0.01 . 2 . . . . 103 LEU HB3 . 15172 2 646 . 1 1 103 103 LEU HG H 1 1.45 0.01 . 1 . . . . 103 LEU HG . 15172 2 647 . 1 1 103 103 LEU HD11 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 648 . 1 1 103 103 LEU HD12 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 649 . 1 1 103 103 LEU HD13 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 650 . 1 1 103 103 LEU HD21 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 651 . 1 1 103 103 LEU HD22 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 652 . 1 1 103 103 LEU HD23 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 653 . 1 1 104 104 THR H H 1 7.92 0.01 . 1 . . . . 104 THR HN . 15172 2 654 . 1 1 104 104 THR HA H 1 4.47 0.01 . 1 . . . . 104 THR HA . 15172 2 655 . 1 1 104 104 THR HB H 1 3.98 0.01 . 1 . . . . 104 THR HB . 15172 2 656 . 1 1 104 104 THR HG21 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 657 . 1 1 104 104 THR HG22 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 658 . 1 1 104 104 THR HG23 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 659 . 1 1 105 105 GLY H H 1 7.53 0.01 . 1 . . . . 105 GLY HN . 15172 2 660 . 1 1 105 105 GLY HA2 H 1 2.51 0.01 . 2 . . . . 105 GLY HA1 . 15172 2 661 . 1 1 105 105 GLY HA3 H 1 2.77 0.01 . 2 . . . . 105 GLY HA2 . 15172 2 662 . 1 1 106 106 TYR H H 1 7.25 0.01 . 1 . . . . 106 TYR HN . 15172 2 663 . 1 1 106 106 TYR HA H 1 5.08 0.01 . 1 . . . . 106 TYR HA . 15172 2 664 . 1 1 106 106 TYR HB2 H 1 2.81 0.01 . 2 . . . . 106 TYR HB2 . 15172 2 665 . 1 1 106 106 TYR HB3 H 1 2.97 0.01 . 2 . . . . 106 TYR HB3 . 15172 2 666 . 1 1 106 106 TYR HD1 H 1 7.03 0.01 . 1 . . . . 106 TYR HD1 . 15172 2 667 . 1 1 106 106 TYR HD2 H 1 7.03 0.01 . 1 . . . . 106 TYR HD2 . 15172 2 668 . 1 1 106 106 TYR HE1 H 1 6.57 0.01 . 1 . . . . 106 TYR HE1 . 15172 2 669 . 1 1 106 106 TYR HE2 H 1 6.57 0.01 . 1 . . . . 106 TYR HE2 . 15172 2 670 . 1 1 107 107 SER H H 1 9.07 0.01 . 1 . . . . 107 SER HN . 15172 2 671 . 1 1 107 107 SER HA H 1 4.39 0.01 . 1 . . . . 107 SER HA . 15172 2 672 . 1 1 107 107 SER HB2 H 1 3.95 0.01 . 1 . . . . 107 SER HB2 . 15172 2 673 . 1 1 107 107 SER HB3 H 1 3.95 0.01 . 1 . . . . 107 SER HB3 . 15172 2 674 . 1 1 108 108 ALA H H 1 9.06 0.01 . 1 . . . . 108 ALA HN . 15172 2 675 . 1 1 108 108 ALA HA H 1 4.02 0.01 . 1 . . . . 108 ALA HA . 15172 2 676 . 1 1 108 108 ALA HB1 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 677 . 1 1 108 108 ALA HB2 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 678 . 1 1 108 108 ALA HB3 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 679 . 1 1 109 109 LYS H H 1 8.34 0.01 . 1 . . . . 109 LYS HN . 15172 2 680 . 1 1 109 109 LYS HB2 H 1 1.81 0.01 . 2 . . . . 109 LYS HB2 . 15172 2 681 . 1 1 109 109 LYS HB3 H 1 1.92 0.01 . 2 . . . . 109 LYS HB3 . 15172 2 682 . 1 1 109 109 LYS HD2 H 1 1.59 0.01 . 1 . . . . 109 LYS HD2 . 15172 2 683 . 1 1 109 109 LYS HD3 H 1 1.59 0.01 . 1 . . . . 109 LYS HD3 . 15172 2 684 . 1 1 110 110 GLU H H 1 7.79 0.01 . 1 . . . . 110 GLU HN . 15172 2 685 . 1 1 110 110 GLU HA H 1 4.05 0.01 . 1 . . . . 110 GLU HA . 15172 2 686 . 1 1 110 110 GLU HB2 H 1 2.10 0.01 . 1 . . . . 110 GLU HB2 . 15172 2 687 . 1 1 110 110 GLU HB3 H 1 2.10 0.01 . 1 . . . . 110 GLU HB3 . 15172 2 688 . 1 1 110 110 GLU HG2 H 1 2.35 0.01 . 2 . . . . 110 GLU HG2 . 15172 2 689 . 1 1 110 110 GLU HG3 H 1 2.42 0.01 . 2 . . . . 110 GLU HG3 . 15172 2 690 . 1 1 111 111 ARG H H 1 8.32 0.01 . 1 . . . . 111 ARG HN . 15172 2 691 . 1 1 111 111 ARG HA H 1 3.93 0.01 . 1 . . . . 111 ARG HA . 15172 2 692 . 1 1 111 111 ARG HB2 H 1 1.85 0.01 . 2 . . . . 111 ARG HB2 . 15172 2 693 . 1 1 111 111 ARG HB3 H 1 1.95 0.01 . 2 . . . . 111 ARG HB3 . 15172 2 694 . 1 1 112 112 LYS H H 1 7.86 0.01 . 1 . . . . 112 LYS HN . 15172 2 695 . 1 1 112 112 LYS HA H 1 4.14 0.01 . 1 . . . . 112 LYS HA . 15172 2 696 . 1 1 112 112 LYS HB2 H 1 1.84 0.01 . 2 . . . . 112 LYS HB2 . 15172 2 697 . 1 1 112 112 LYS HB3 H 1 1.94 0.01 . 2 . . . . 112 LYS HB3 . 15172 2 698 . 1 1 112 112 LYS HG2 H 1 1.49 0.01 . 1 . . . . 112 LYS HG2 . 15172 2 699 . 1 1 112 112 LYS HG3 H 1 1.49 0.01 . 1 . . . . 112 LYS HG3 . 15172 2 700 . 1 1 112 112 LYS HD2 H 1 1.74 0.01 . 1 . . . . 112 LYS HD2 . 15172 2 701 . 1 1 112 112 LYS HD3 H 1 1.74 0.01 . 1 . . . . 112 LYS HD3 . 15172 2 702 . 1 1 113 113 LYS H H 1 7.58 0.01 . 1 . . . . 113 LYS HN . 15172 2 703 . 1 1 113 113 LYS HA H 1 4.21 0.01 . 1 . . . . 113 LYS HA . 15172 2 704 . 1 1 113 113 LYS HB2 H 1 1.89 0.01 . 2 . . . . 113 LYS HB2 . 15172 2 705 . 1 1 113 113 LYS HB3 H 1 1.97 0.01 . 2 . . . . 113 LYS HB3 . 15172 2 706 . 1 1 113 113 LYS HG2 H 1 1.49 0.01 . 2 . . . . 113 LYS HG2 . 15172 2 707 . 1 1 113 113 LYS HG3 H 1 1.56 0.01 . 2 . . . . 113 LYS HG3 . 15172 2 708 . 1 1 113 113 LYS HD2 H 1 1.74 0.01 . 1 . . . . 113 LYS HD2 . 15172 2 709 . 1 1 113 113 LYS HD3 H 1 1.74 0.01 . 1 . . . . 113 LYS HD3 . 15172 2 710 . 1 1 114 114 MET H H 1 7.76 0.01 . 1 . . . . 114 MET HN . 15172 2 711 . 1 1 114 114 MET HA H 1 4.33 0.01 . 1 . . . . 114 MET HA . 15172 2 712 . 1 1 114 114 MET HB2 H 1 2.02 0.01 . 2 . . . . 114 MET HB2 . 15172 2 713 . 1 1 114 114 MET HB3 H 1 2.10 0.01 . 2 . . . . 114 MET HB3 . 15172 2 714 . 1 1 114 114 MET HG2 H 1 2.49 0.01 . 2 . . . . 114 MET HG2 . 15172 2 715 . 1 1 114 114 MET HG3 H 1 2.56 0.01 . 2 . . . . 114 MET HG3 . 15172 2 716 . 1 1 115 115 MET H H 1 7.91 0.01 . 1 . . . . 115 MET HN . 15172 2 717 . 1 1 115 115 MET HA H 1 4.53 0.01 . 1 . . . . 115 MET HA . 15172 2 718 . 1 1 115 115 MET HB2 H 1 2.11 0.01 . 2 . . . . 115 MET HB2 . 15172 2 719 . 1 1 115 115 MET HB3 H 1 2.24 0.01 . 2 . . . . 115 MET HB3 . 15172 2 720 . 1 1 115 115 MET HG2 H 1 2.62 0.01 . 2 . . . . 115 MET HG2 . 15172 2 721 . 1 1 115 115 MET HG3 H 1 2.71 0.01 . 2 . . . . 115 MET HG3 . 15172 2 722 . 1 1 116 116 THR H H 1 7.95 0.01 . 1 . . . . 116 THR HN . 15172 2 723 . 1 1 116 116 THR HA H 1 4.40 0.01 . 1 . . . . 116 THR HA . 15172 2 724 . 1 1 116 116 THR HB H 1 4.31 0.01 . 1 . . . . 116 THR HB . 15172 2 725 . 1 1 116 116 THR HG21 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 726 . 1 1 116 116 THR HG22 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 727 . 1 1 116 116 THR HG23 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 728 . 1 1 117 117 LYS H H 1 8.43 0.01 . 1 . . . . 117 LYS HN . 15172 2 729 . 1 1 117 117 LYS HA H 1 4.38 0.01 . 1 . . . . 117 LYS HA . 15172 2 730 . 1 1 117 117 LYS HB2 H 1 1.83 0.01 . 2 . . . . 117 LYS HB2 . 15172 2 731 . 1 1 117 117 LYS HB3 H 1 1.91 0.01 . 2 . . . . 117 LYS HB3 . 15172 2 732 . 1 1 117 117 LYS HG2 H 1 1.48 0.01 . 1 . . . . 117 LYS HG2 . 15172 2 733 . 1 1 117 117 LYS HG3 H 1 1.48 0.01 . 1 . . . . 117 LYS HG3 . 15172 2 734 . 1 1 117 117 LYS HD2 H 1 1.73 0.01 . 1 . . . . 117 LYS HD2 . 15172 2 735 . 1 1 117 117 LYS HD3 H 1 1.73 0.01 . 1 . . . . 117 LYS HD3 . 15172 2 736 . 1 1 117 117 LYS HE2 H 1 3.06 0.01 . 1 . . . . 117 LYS HE2 . 15172 2 737 . 1 1 117 117 LYS HE3 H 1 3.06 0.01 . 1 . . . . 117 LYS HE3 . 15172 2 738 . 1 1 118 118 ASP H H 1 8.39 0.01 . 1 . . . . 118 ASP HN . 15172 2 739 . 1 1 118 118 ASP HA H 1 4.68 0.01 . 1 . . . . 118 ASP HA . 15172 2 740 . 1 1 118 118 ASP HB2 H 1 2.74 0.01 . 1 . . . . 118 ASP HB2 . 15172 2 741 . 1 1 118 118 ASP HB3 H 1 2.74 0.01 . 1 . . . . 118 ASP HB3 . 15172 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 14 15172 2 1 17 15172 2 2 15 15172 2 2 16 15172 2 2 18 15172 2 2 19 15172 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15172 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 1H-1H COSY' . . . 15172 3 17 '2D 1H-1H TOCSY' . . . 15172 3 18 '2D 1H-1H NOESY' . . . 15172 3 19 '2D 1H-13C HSQC' . . . 15172 3 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 $SPARKY . . 15172 3 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 HE1 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 2 . 1 1 1 1 MET HE2 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 3 . 1 1 1 1 MET HE3 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 4 . 1 1 1 1 MET CE C 13 25.3 0.1 . 5 . . . . 1 MET CE . 15172 3 5 . 1 1 3 3 THR HA H 1 4.32 0.01 . 1 . . . . 3 THR HA . 15172 3 6 . 1 1 3 3 THR HB H 1 3.92 0.01 . 1 . . . . 3 THR HB . 15172 3 7 . 1 1 3 3 THR HG21 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 8 . 1 1 3 3 THR HG22 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 9 . 1 1 3 3 THR HG23 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 10 . 1 1 3 3 THR CA C 13 59.4 0.1 . 1 . . . . 3 THR CA . 15172 3 11 . 1 1 3 3 THR CB C 13 64.1 0.1 . 1 . . . . 3 THR CB . 15172 3 12 . 1 1 15 15 GLU HA H 1 4.25 0.01 . 1 . . . . 15 GLU HA . 15172 3 13 . 1 1 15 15 GLU HB2 H 1 1.99 0.01 . 2 . . . . 15 GLU HB2 . 15172 3 14 . 1 1 15 15 GLU HB3 H 1 2.08 0.01 . 2 . . . . 15 GLU HB3 . 15172 3 15 . 1 1 15 15 GLU CA C 13 56.4 0.1 . 1 . . . . 15 GLU CA . 15172 3 16 . 1 1 15 15 GLU CB C 13 29.2 0.1 . 1 . . . . 15 GLU CB . 15172 3 17 . 1 1 16 16 ASN HA H 1 4.69 0.01 . 1 . . . . 16 ASN HA . 15172 3 18 . 1 1 16 16 ASN HB2 H 1 2.73 0.01 . 2 . . . . 16 ASN HB2 . 15172 3 19 . 1 1 16 16 ASN HB3 H 1 2.82 0.01 . 2 . . . . 16 ASN HB3 . 15172 3 20 . 1 1 16 16 ASN CA C 13 53.3 0.1 . 1 . . . . 16 ASN CA . 15172 3 21 . 1 1 16 16 ASN CB C 13 38.0 0.1 . 1 . . . . 16 ASN CB . 15172 3 22 . 1 1 17 17 LEU HD11 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 23 . 1 1 17 17 LEU HD12 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 24 . 1 1 17 17 LEU HD13 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 25 . 1 1 17 17 LEU HD21 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 26 . 1 1 17 17 LEU HD22 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 27 . 1 1 17 17 LEU HD23 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 28 . 1 1 17 17 LEU CD1 C 13 22.7 0.1 . 1 . . . . 17 LEU CD1 . 15172 3 29 . 1 1 17 17 LEU CD2 C 13 23.2 0.1 . 1 . . . . 17 LEU CD2 . 15172 3 30 . 1 1 18 18 TYR HD1 H 1 7.03 0.01 . 1 . . . . 18 TYR HD1 . 15172 3 31 . 1 1 18 18 TYR HD2 H 1 7.03 0.01 . 1 . . . . 18 TYR HD2 . 15172 3 32 . 1 1 18 18 TYR HE1 H 1 6.79 0.01 . 1 . . . . 18 TYR HE1 . 15172 3 33 . 1 1 18 18 TYR HE2 H 1 6.79 0.01 . 1 . . . . 18 TYR HE2 . 15172 3 34 . 1 1 19 19 PHE HA H 1 4.50 0.01 . 1 . . . . 19 PHE HA . 15172 3 35 . 1 1 19 19 PHE HB2 H 1 3.03 0.01 . 1 . . . . 19 PHE HB2 . 15172 3 36 . 1 1 19 19 PHE HB3 H 1 3.03 0.01 . 1 . . . . 19 PHE HB3 . 15172 3 37 . 1 1 19 19 PHE HD1 H 1 7.17 0.01 . 1 . . . . 19 PHE HD1 . 15172 3 38 . 1 1 19 19 PHE HD2 H 1 7.17 0.01 . 1 . . . . 19 PHE HD2 . 15172 3 39 . 1 1 19 19 PHE HE1 H 1 7.25 0.01 . 1 . . . . 19 PHE HE1 . 15172 3 40 . 1 1 19 19 PHE HE2 H 1 7.25 0.01 . 1 . . . . 19 PHE HE2 . 15172 3 41 . 1 1 22 22 HIS HA H 1 4.73 0.01 . 1 . . . . 22 HIS HA . 15172 3 42 . 1 1 22 22 HIS HB2 H 1 3.07 0.01 . 2 . . . . 22 HIS HB2 . 15172 3 43 . 1 1 22 22 HIS HB3 H 1 3.23 0.01 . 2 . . . . 22 HIS HB3 . 15172 3 44 . 1 1 23 23 MET HA H 1 4.73 0.01 . 1 . . . . 23 MET HA . 15172 3 45 . 1 1 23 23 MET HG3 H 1 2.49 0.01 . 2 . . . . 23 MET HG3 . 15172 3 46 . 1 1 24 24 ARG HA H 1 4.54 0.01 . 1 . . . . 24 ARG HA . 15172 3 47 . 1 1 24 24 ARG HB3 H 1 1.78 0.01 . 2 . . . . 24 ARG HB3 . 15172 3 48 . 1 1 25 25 GLU HA H 1 5.09 0.01 . 1 . . . . 25 GLU HA . 15172 3 49 . 1 1 25 25 GLU HB2 H 1 1.84 0.01 . 1 . . . . 25 GLU HB2 . 15172 3 50 . 1 1 25 25 GLU HB3 H 1 1.84 0.01 . 1 . . . . 25 GLU HB3 . 15172 3 51 . 1 1 25 25 GLU HG2 H 1 2.03 0.01 . 2 . . . . 25 GLU HG2 . 15172 3 52 . 1 1 25 25 GLU HG3 H 1 2.14 0.01 . 2 . . . . 25 GLU HG3 . 15172 3 53 . 1 1 26 26 TYR H H 1 9.10 0.01 . 1 . . . . 26 TYR HN . 15172 3 54 . 1 1 26 26 TYR HA H 1 5.08 0.01 . 1 . . . . 26 TYR HA . 15172 3 55 . 1 1 26 26 TYR HB2 H 1 2.61 0.01 . 2 . . . . 26 TYR HB2 . 15172 3 56 . 1 1 26 26 TYR HB3 H 1 3.39 0.01 . 2 . . . . 26 TYR HB3 . 15172 3 57 . 1 1 26 26 TYR HD1 H 1 7.00 0.01 . 1 . . . . 26 TYR HD1 . 15172 3 58 . 1 1 26 26 TYR HD2 H 1 7.00 0.01 . 1 . . . . 26 TYR HD2 . 15172 3 59 . 1 1 26 26 TYR HE1 H 1 6.74 0.01 . 1 . . . . 26 TYR HE1 . 15172 3 60 . 1 1 26 26 TYR HE2 H 1 6.74 0.01 . 1 . . . . 26 TYR HE2 . 15172 3 61 . 1 1 27 27 PRO HA H 1 4.73 0.01 . 1 . . . . 27 PRO HA . 15172 3 62 . 1 1 27 27 PRO HB3 H 1 2.38 0.01 . 2 . . . . 27 PRO HB3 . 15172 3 63 . 1 1 27 27 PRO HD2 H 1 3.81 0.01 . 1 . . . . 27 PRO HD2 . 15172 3 64 . 1 1 27 27 PRO HD3 H 1 3.81 0.01 . 1 . . . . 27 PRO HD3 . 15172 3 65 . 1 1 28 28 VAL H H 1 7.76 0.01 . 1 . . . . 28 VAL HN . 15172 3 66 . 1 1 28 28 VAL HB H 1 1.54 0.01 . 1 . . . . 28 VAL HB . 15172 3 67 . 1 1 28 28 VAL HG11 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 68 . 1 1 28 28 VAL HG12 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 69 . 1 1 28 28 VAL HG13 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 70 . 1 1 28 28 VAL HG21 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 71 . 1 1 28 28 VAL HG22 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 72 . 1 1 28 28 VAL HG23 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 73 . 1 1 28 28 VAL CG1 C 13 21.8 0.1 . 1 . . . . 28 VAL CG1 . 15172 3 74 . 1 1 28 28 VAL CG2 C 13 21.0 0.1 . 1 . . . . 28 VAL CG2 . 15172 3 75 . 1 1 29 29 LYS HA H 1 3.86 0.01 . 1 . . . . 29 LYS HA . 15172 3 76 . 1 1 29 29 LYS HB2 H 1 0.41 0.01 . 2 . . . . 29 LYS HB2 . 15172 3 77 . 1 1 29 29 LYS HB3 H 1 1.26 0.01 . 2 . . . . 29 LYS HB3 . 15172 3 78 . 1 1 29 29 LYS HG2 H 1 1.01 0.01 . 2 . . . . 29 LYS HG2 . 15172 3 79 . 1 1 29 29 LYS HG3 H 1 1.60 0.01 . 2 . . . . 29 LYS HG3 . 15172 3 80 . 1 1 29 29 LYS HD2 H 1 1.10 0.01 . 2 . . . . 29 LYS HD2 . 15172 3 81 . 1 1 29 29 LYS HE2 H 1 2.41 0.01 . 2 . . . . 29 LYS HE2 . 15172 3 82 . 1 1 29 29 LYS HE3 H 1 2.71 0.01 . 2 . . . . 29 LYS HE3 . 15172 3 83 . 1 1 31 31 GLY HA2 H 1 4.39 0.01 . 2 . . . . 31 GLY HA1 . 15172 3 84 . 1 1 31 31 GLY HA3 H 1 3.61 0.01 . 2 . . . . 31 GLY HA2 . 15172 3 85 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 3 86 . 1 1 32 32 PHE HB2 H 1 2.89 0.01 . 2 . . . . 32 PHE HB2 . 15172 3 87 . 1 1 32 32 PHE HB3 H 1 3.47 0.01 . 2 . . . . 32 PHE HB3 . 15172 3 88 . 1 1 32 32 PHE HD1 H 1 7.05 0.01 . 1 . . . . 32 PHE HD1 . 15172 3 89 . 1 1 32 32 PHE HD2 H 1 7.05 0.01 . 1 . . . . 32 PHE HD2 . 15172 3 90 . 1 1 32 32 PHE HE1 H 1 7.29 0.01 . 1 . . . . 32 PHE HE1 . 15172 3 91 . 1 1 32 32 PHE HE2 H 1 7.29 0.01 . 1 . . . . 32 PHE HE2 . 15172 3 92 . 1 1 32 32 PHE HZ H 1 7.33 0.01 . 1 . . . . 32 PHE HZ . 15172 3 93 . 1 1 33 33 PRO HG2 H 1 2.14 0.01 . 1 . . . . 33 PRO HG2 . 15172 3 94 . 1 1 33 33 PRO HG3 H 1 2.14 0.01 . 1 . . . . 33 PRO HG3 . 15172 3 95 . 1 1 33 33 PRO HD2 H 1 3.70 0.01 . 2 . . . . 33 PRO HD2 . 15172 3 96 . 1 1 33 33 PRO HD3 H 1 4.13 0.01 . 2 . . . . 33 PRO HD3 . 15172 3 97 . 1 1 34 34 THR HA H 1 4.58 0.01 . 1 . . . . 34 THR HA . 15172 3 98 . 1 1 34 34 THR HB H 1 4.66 0.01 . 1 . . . . 34 THR HB . 15172 3 99 . 1 1 34 34 THR HG21 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 100 . 1 1 34 34 THR HG22 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 101 . 1 1 34 34 THR HG23 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 102 . 1 1 34 34 THR CA C 13 59.6 0.1 . 1 . . . . 34 THR CA . 15172 3 103 . 1 1 34 34 THR CB C 13 69.4 0.1 . 1 . . . . 34 THR CB . 15172 3 104 . 1 1 34 34 THR CG2 C 13 21.7 0.1 . 1 . . . . 34 THR CG2 . 15172 3 105 . 1 1 35 35 ASP HA H 1 5.01 0.01 . 1 . . . . 35 ASP HA . 15172 3 106 . 1 1 35 35 ASP HB2 H 1 2.80 0.01 . 2 . . . . 35 ASP HB2 . 15172 3 107 . 1 1 35 35 ASP HB3 H 1 3.05 0.01 . 2 . . . . 35 ASP HB3 . 15172 3 108 . 1 1 35 35 ASP CA C 13 51.7 0.1 . 1 . . . . 35 ASP CA . 15172 3 109 . 1 1 35 35 ASP CB C 13 42.2 0.1 . 1 . . . . 35 ASP CB . 15172 3 110 . 1 1 36 36 TYR HA H 1 3.84 0.01 . 1 . . . . 36 TYR HA . 15172 3 111 . 1 1 36 36 TYR HB2 H 1 3.09 0.01 . 2 . . . . 36 TYR HB2 . 15172 3 112 . 1 1 36 36 TYR HB3 H 1 3.17 0.01 . 2 . . . . 36 TYR HB3 . 15172 3 113 . 1 1 36 36 TYR HD1 H 1 7.28 0.01 . 1 . . . . 36 TYR HD1 . 15172 3 114 . 1 1 36 36 TYR HD2 H 1 7.28 0.01 . 1 . . . . 36 TYR HD2 . 15172 3 115 . 1 1 36 36 TYR HE1 H 1 6.87 0.01 . 1 . . . . 36 TYR HE1 . 15172 3 116 . 1 1 36 36 TYR HE2 H 1 6.87 0.01 . 1 . . . . 36 TYR HE2 . 15172 3 117 . 1 1 37 37 ASP HA H 1 4.43 0.01 . 1 . . . . 37 ASP HA . 15172 3 118 . 1 1 37 37 ASP HB2 H 1 2.71 0.01 . 2 . . . . 37 ASP HB2 . 15172 3 119 . 1 1 37 37 ASP HB3 H 1 2.80 0.01 . 2 . . . . 37 ASP HB3 . 15172 3 120 . 1 1 37 37 ASP CA C 13 57.4 0.1 . 1 . . . . 37 ASP CA . 15172 3 121 . 1 1 37 37 ASP CB C 13 40.0 0.1 . 1 . . . . 37 ASP CB . 15172 3 122 . 1 1 38 38 SER HA H 1 4.23 0.01 . 1 . . . . 38 SER HA . 15172 3 123 . 1 1 38 38 SER HB2 H 1 3.90 0.01 . 2 . . . . 38 SER HB3 . 15172 3 124 . 1 1 38 38 SER HB3 H 1 3.85 0.01 . 2 . . . . 38 SER HB3 . 15172 3 125 . 1 1 39 39 ILE H H 1 8.42 0.01 . 1 . . . . 39 ILE HN . 15172 3 126 . 1 1 39 39 ILE HA H 1 3.58 0.01 . 1 . . . . 39 ILE HA . 15172 3 127 . 1 1 39 39 ILE HB H 1 1.73 0.01 . 1 . . . . 39 ILE HB . 15172 3 128 . 1 1 39 39 ILE HG12 H 1 0.94 0.01 . 2 . . . . 39 ILE HG12 . 15172 3 129 . 1 1 39 39 ILE HG13 H 1 1.60 0.01 . 2 . . . . 39 ILE HG13 . 15172 3 130 . 1 1 39 39 ILE HG21 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 131 . 1 1 39 39 ILE HG22 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 132 . 1 1 39 39 ILE HG23 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 133 . 1 1 39 39 ILE HD11 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 134 . 1 1 39 39 ILE HD12 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 135 . 1 1 39 39 ILE HD13 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 136 . 1 1 39 39 ILE CG2 C 13 17.5 0.1 . 1 . . . . 39 ILE CG2 . 15172 3 137 . 1 1 39 39 ILE CD1 C 13 12.9 0.1 . 1 . . . . 39 ILE CD1 . 15172 3 138 . 1 1 40 40 LYS H H 1 8.10 0.01 . 1 . . . . 40 LYS HN . 15172 3 139 . 1 1 40 40 LYS HA H 1 3.80 0.01 . 1 . . . . 40 LYS HA . 15172 3 140 . 1 1 40 40 LYS HB2 H 1 1.89 0.01 . 2 . . . . 40 LYS HB2 . 15172 3 141 . 1 1 40 40 LYS HB3 H 1 1.98 0.01 . 2 . . . . 40 LYS HB3 . 15172 3 142 . 1 1 40 40 LYS HG2 H 1 1.35 0.01 . 1 . . . . 40 LYS HG2 . 15172 3 143 . 1 1 40 40 LYS HG3 H 1 1.35 0.01 . 1 . . . . 40 LYS HG3 . 15172 3 144 . 1 1 40 40 LYS HD2 H 1 1.71 0.01 . 1 . . . . 40 LYS HD2 . 15172 3 145 . 1 1 40 40 LYS HD3 H 1 1.71 0.01 . 1 . . . . 40 LYS HD3 . 15172 3 146 . 1 1 41 41 ARG HA H 1 4.07 0.01 . 1 . . . . 41 ARG HA . 15172 3 147 . 1 1 41 41 ARG HB2 H 1 1.83 0.01 . 2 . . . . 41 ARG HB2 . 15172 3 148 . 1 1 41 41 ARG HB3 H 1 1.93 0.01 . 2 . . . . 41 ARG HB3 . 15172 3 149 . 1 1 41 41 ARG HG2 H 1 1.63 0.01 . 2 . . . . 41 ARG HG2 . 15172 3 150 . 1 1 41 41 ARG HG3 H 1 1.83 0.01 . 2 . . . . 41 ARG HG3 . 15172 3 151 . 1 1 41 41 ARG HD2 H 1 3.25 0.01 . 2 . . . . 41 ARG HD2 . 15172 3 152 . 1 1 41 41 ARG HD3 H 1 3.28 0.01 . 2 . . . . 41 ARG HD3 . 15172 3 153 . 1 1 42 42 LYS H H 1 8.01 0.01 . 1 . . . . 42 LYS HN . 15172 3 154 . 1 1 42 42 LYS HA H 1 4.22 0.01 . 1 . . . . 42 LYS HA . 15172 3 155 . 1 1 42 42 LYS HB3 H 1 1.99 0.01 . 2 . . . . 42 LYS HB3 . 15172 3 156 . 1 1 43 43 ILE H H 1 8.23 0.01 . 1 . . . . 43 ILE HN . 15172 3 157 . 1 1 43 43 ILE HA H 1 3.70 0.01 . 1 . . . . 43 ILE HA . 15172 3 158 . 1 1 43 43 ILE HB H 1 1.98 0.01 . 1 . . . . 43 ILE HB . 15172 3 159 . 1 1 43 43 ILE HG21 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 160 . 1 1 43 43 ILE HG22 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 161 . 1 1 43 43 ILE HG23 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 162 . 1 1 43 43 ILE HD11 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 163 . 1 1 43 43 ILE HD12 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 164 . 1 1 43 43 ILE HD13 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 165 . 1 1 43 43 ILE CG2 C 13 19.1 0.1 . 1 . . . . 43 ILE CG2 . 15172 3 166 . 1 1 43 43 ILE CD1 C 13 15.1 0.1 . 1 . . . . 43 ILE CD1 . 15172 3 167 . 1 1 44 44 SER HA H 1 4.67 0.01 . 1 . . . . 44 SER HA . 15172 3 168 . 1 1 44 44 SER HB2 H 1 4.07 0.01 . 1 . . . . 44 SER HB2 . 15172 3 169 . 1 1 44 44 SER HB3 H 1 4.07 0.01 . 1 . . . . 44 SER HB3 . 15172 3 170 . 1 1 45 45 GLU HA H 1 4.07 0.01 . 1 . . . . 45 GLU HA . 15172 3 171 . 1 1 45 45 GLU HB2 H 1 2.22 0.01 . 2 . . . . 45 GLU HB2 . 15172 3 172 . 1 1 45 45 GLU HB3 H 1 2.36 0.01 . 2 . . . . 45 GLU HB3 . 15172 3 173 . 1 1 45 45 GLU HG2 H 1 2.28 0.01 . 2 . . . . 45 GLU HG2 . 15172 3 174 . 1 1 45 45 GLU HG3 H 1 2.54 0.01 . 2 . . . . 45 GLU HG3 . 15172 3 175 . 1 1 47 47 GLY HA2 H 1 3.95 0.01 . 2 . . . . 47 GLY HA1 . 15172 3 176 . 1 1 47 47 GLY HA3 H 1 3.68 0.01 . 2 . . . . 47 GLY HA2 . 15172 3 177 . 1 1 48 48 PHE HA H 1 5.22 0.01 . 1 . . . . 48 PHE HA . 15172 3 178 . 1 1 48 48 PHE HB2 H 1 2.73 0.01 . 2 . . . . 48 PHE HB2 . 15172 3 179 . 1 1 48 48 PHE HB3 H 1 3.63 0.01 . 2 . . . . 48 PHE HB3 . 15172 3 180 . 1 1 48 48 PHE HD1 H 1 7.27 0.01 . 1 . . . . 48 PHE HD1 . 15172 3 181 . 1 1 48 48 PHE HD2 H 1 7.27 0.01 . 1 . . . . 48 PHE HD2 . 15172 3 182 . 1 1 48 48 PHE HE1 H 1 7.37 0.01 . 1 . . . . 48 PHE HE1 . 15172 3 183 . 1 1 48 48 PHE HE2 H 1 7.37 0.01 . 1 . . . . 48 PHE HE2 . 15172 3 184 . 1 1 48 48 PHE HZ H 1 7.42 0.01 . 1 . . . . 48 PHE HZ . 15172 3 185 . 1 1 50 50 VAL HA H 1 5.42 0.01 . 1 . . . . 50 VAL HA . 15172 3 186 . 1 1 50 50 VAL HB H 1 2.11 0.01 . 1 . . . . 50 VAL HB . 15172 3 187 . 1 1 50 50 VAL HG11 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 188 . 1 1 50 50 VAL HG12 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 189 . 1 1 50 50 VAL HG13 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 190 . 1 1 50 50 VAL HG21 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 191 . 1 1 50 50 VAL HG22 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 192 . 1 1 50 50 VAL HG23 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 193 . 1 1 50 50 VAL CA C 13 58.6 0.1 . 1 . . . . 50 VAL CA . 15172 3 194 . 1 1 50 50 VAL CG1 C 13 22.2 0.1 . 1 . . . . 50 VAL CG1 . 15172 3 195 . 1 1 50 50 VAL CG2 C 13 23.5 0.1 . 1 . . . . 50 VAL CG2 . 15172 3 196 . 1 1 51 51 LYS HA H 1 4.85 0.01 . 1 . . . . 51 LYS HA . 15172 3 197 . 1 1 51 51 LYS CA C 13 54.0 0.1 . 1 . . . . 51 LYS CA . 15172 3 198 . 1 1 52 52 SER HA H 1 5.16 0.01 . 1 . . . . 52 SER HA . 15172 3 199 . 1 1 52 52 SER HB2 H 1 3.86 0.01 . 2 . . . . 52 SER HB2 . 15172 3 200 . 1 1 52 52 SER HB3 H 1 4.00 0.01 . 2 . . . . 52 SER HB3 . 15172 3 201 . 1 1 52 52 SER CA C 13 58.0 0.1 . 1 . . . . 52 SER CA . 15172 3 202 . 1 1 53 53 GLU HA H 1 4.54 0.01 . 1 . . . . 53 GLU HA . 15172 3 203 . 1 1 53 53 GLU HB2 H 1 1.86 0.01 . 2 . . . . 53 GLU HB2 . 15172 3 204 . 1 1 53 53 GLU HB3 H 1 2.03 0.01 . 2 . . . . 53 GLU HB3 . 15172 3 205 . 1 1 53 53 GLU HG2 H 1 2.18 0.01 . 1 . . . . 53 GLU HG2 . 15172 3 206 . 1 1 53 53 GLU HG3 H 1 2.18 0.01 . 1 . . . . 53 GLU HG3 . 15172 3 207 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 3 208 . 1 1 55 55 ASP HB2 H 1 2.79 0.01 . 2 . . . . 55 ASP HB2 . 15172 3 209 . 1 1 55 55 ASP HB3 H 1 2.92 0.01 . 2 . . . . 55 ASP HB3 . 15172 3 210 . 1 1 55 55 ASP CA C 13 53.3 0.1 . 1 . . . . 55 ASP CA . 15172 3 211 . 1 1 56 56 LEU HA H 1 5.09 0.01 . 1 . . . . 56 LEU HA . 15172 3 212 . 1 1 56 56 LEU HB2 H 1 1.36 0.01 . 2 . . . . 56 LEU HB2 . 15172 3 213 . 1 1 56 56 LEU HB3 H 1 2.12 0.01 . 2 . . . . 56 LEU HB3 . 15172 3 214 . 1 1 56 56 LEU HD11 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 215 . 1 1 56 56 LEU HD12 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 216 . 1 1 56 56 LEU HD13 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 217 . 1 1 56 56 LEU HD21 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 218 . 1 1 56 56 LEU HD22 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 219 . 1 1 56 56 LEU HD23 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 220 . 1 1 56 56 LEU CD1 C 13 24.3 0.1 . 1 . . . . 56 LEU CD1 . 15172 3 221 . 1 1 56 56 LEU CD2 C 13 23.6 0.1 . 1 . . . . 56 LEU CD2 . 15172 3 222 . 1 1 57 57 ILE H H 1 9.20 0.01 . 1 . . . . 57 ILE HN . 15172 3 223 . 1 1 57 57 ILE HA H 1 4.40 0.01 . 1 . . . . 57 ILE HA . 15172 3 224 . 1 1 57 57 ILE HB H 1 1.85 0.01 . 1 . . . . 57 ILE HB . 15172 3 225 . 1 1 57 57 ILE HG21 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 226 . 1 1 57 57 ILE HG22 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 227 . 1 1 57 57 ILE HG23 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 228 . 1 1 57 57 ILE HD11 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 229 . 1 1 57 57 ILE HD12 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 230 . 1 1 57 57 ILE HD13 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 231 . 1 1 57 57 ILE CG2 C 13 18.0 0.1 . 1 . . . . 57 ILE CG2 . 15172 3 232 . 1 1 57 57 ILE CD1 C 13 14.6 0.1 . 1 . . . . 57 ILE CD1 . 15172 3 233 . 1 1 58 58 ILE H H 1 9.19 0.01 . 1 . . . . 58 ILE HN . 15172 3 234 . 1 1 58 58 ILE HA H 1 5.28 0.01 . 1 . . . . 58 ILE HA . 15172 3 235 . 1 1 58 58 ILE HB H 1 2.03 0.01 . 1 . . . . 58 ILE HB . 15172 3 236 . 1 1 58 58 ILE HG12 H 1 1.34 0.01 . 1 . . . . 58 ILE HG12 . 15172 3 237 . 1 1 58 58 ILE HG13 H 1 1.34 0.01 . 1 . . . . 58 ILE HG13 . 15172 3 238 . 1 1 58 58 ILE HG21 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 239 . 1 1 58 58 ILE HG22 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 240 . 1 1 58 58 ILE HG23 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 241 . 1 1 58 58 ILE HD11 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 242 . 1 1 58 58 ILE HD12 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 243 . 1 1 58 58 ILE HD13 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 244 . 1 1 58 58 ILE CA C 13 57.1 0.1 . 1 . . . . 58 ILE CA . 15172 3 245 . 1 1 58 58 ILE CG2 C 13 17.6 0.1 . 1 . . . . 58 ILE CG2 . 15172 3 246 . 1 1 58 58 ILE CD1 C 13 11.4 0.1 . 1 . . . . 58 ILE CD1 . 15172 3 247 . 1 1 59 59 ALA H H 1 9.40 0.01 . 1 . . . . 59 ALA HN . 15172 3 248 . 1 1 59 59 ALA HA H 1 5.58 0.01 . 1 . . . . 59 ALA HA . 15172 3 249 . 1 1 59 59 ALA HB1 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 250 . 1 1 59 59 ALA HB2 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 251 . 1 1 59 59 ALA HB3 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 252 . 1 1 59 59 ALA CA C 13 48.8 0.1 . 1 . . . . 59 ALA CA . 15172 3 253 . 1 1 59 59 ALA CB C 13 22.3 0.1 . 1 . . . . 59 ALA CB . 15172 3 254 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 3 255 . 1 1 60 60 SER HB2 H 1 3.69 0.01 . 2 . . . . 60 SER HB2 . 15172 3 256 . 1 1 60 60 SER HB3 H 1 3.90 0.01 . 2 . . . . 60 SER HB3 . 15172 3 257 . 1 1 61 61 ILE H H 1 8.11 0.01 . 1 . . . . 61 ILE HN . 15172 3 258 . 1 1 61 61 ILE HA H 1 4.64 0.01 . 1 . . . . 61 ILE HA . 15172 3 259 . 1 1 61 61 ILE HB H 1 1.26 0.01 . 1 . . . . 61 ILE HB . 15172 3 260 . 1 1 61 61 ILE HG12 H 1 0.58 0.01 . 2 . . . . 61 ILE HG12 . 15172 3 261 . 1 1 61 61 ILE HG13 H 1 0.95 0.01 . 2 . . . . 61 ILE HG13 . 15172 3 262 . 1 1 61 61 ILE HG21 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 263 . 1 1 61 61 ILE HG22 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 264 . 1 1 61 61 ILE HG23 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 265 . 1 1 61 61 ILE HD11 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 266 . 1 1 61 61 ILE HD12 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 267 . 1 1 61 61 ILE HD13 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 268 . 1 1 61 61 ILE CB C 13 37.7 0.1 . 1 . . . . 61 ILE CB . 15172 3 269 . 1 1 61 61 ILE CD1 C 13 12.9 0.1 . 1 . . . . 61 ILE CD1 . 15172 3 270 . 1 1 62 62 PRO HD2 H 1 3.42 0.01 . 2 . . . . 62 PRO HD2 . 15172 3 271 . 1 1 63 63 GLY HA2 H 1 4.42 0.01 . 2 . . . . 63 GLY HA1 . 15172 3 272 . 1 1 63 63 GLY HA3 H 1 3.52 0.01 . 2 . . . . 63 GLY HA2 . 15172 3 273 . 1 1 64 64 ILE HA H 1 4.24 0.01 . 1 . . . . 64 ILE HA . 15172 3 274 . 1 1 64 64 ILE HG21 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 275 . 1 1 64 64 ILE HG22 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 276 . 1 1 64 64 ILE HG23 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 277 . 1 1 64 64 ILE HD11 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 278 . 1 1 64 64 ILE HD12 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 279 . 1 1 64 64 ILE HD13 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 280 . 1 1 64 64 ILE CG2 C 13 18.2 0.1 . 1 . . . . 64 ILE CG2 . 15172 3 281 . 1 1 64 64 ILE CD1 C 13 13.9 0.1 . 1 . . . . 64 ILE CD1 . 15172 3 282 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 3 283 . 1 1 65 65 SER HB2 H 1 3.97 0.01 . 1 . . . . 65 SER HB2 . 15172 3 284 . 1 1 65 65 SER HB3 H 1 3.97 0.01 . 1 . . . . 65 SER HB3 . 15172 3 285 . 1 1 66 66 ARG HA H 1 4.52 0.01 . 1 . . . . 66 ARG HA . 15172 3 286 . 1 1 66 66 ARG HB2 H 1 1.72 0.01 . 1 . . . . 66 ARG HB2 . 15172 3 287 . 1 1 66 66 ARG HB3 H 1 1.72 0.01 . 1 . . . . 66 ARG HB3 . 15172 3 288 . 1 1 67 67 ILE H H 1 8.87 0.01 . 1 . . . . 67 ILE HN . 15172 3 289 . 1 1 67 67 ILE HA H 1 4.50 0.01 . 1 . . . . 67 ILE HA . 15172 3 290 . 1 1 67 67 ILE HB H 1 1.76 0.01 . 1 . . . . 67 ILE HB . 15172 3 291 . 1 1 67 67 ILE HG21 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 292 . 1 1 67 67 ILE HG22 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 293 . 1 1 67 67 ILE HG23 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 294 . 1 1 67 67 ILE HD11 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 295 . 1 1 67 67 ILE HD12 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 296 . 1 1 67 67 ILE HD13 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 297 . 1 1 67 67 ILE CG2 C 13 17.3 0.1 . 1 . . . . 67 ILE CG2 . 15172 3 298 . 1 1 67 67 ILE CD1 C 13 14.2 0.1 . 1 . . . . 67 ILE CD1 . 15172 3 299 . 1 1 68 68 GLU H H 1 8.83 0.01 . 1 . . . . 68 GLU HN . 15172 3 300 . 1 1 68 68 GLU HA H 1 4.99 0.01 . 1 . . . . 68 GLU HA . 15172 3 301 . 1 1 68 68 GLU HB2 H 1 1.98 0.01 . 2 . . . . 68 GLU HB2 . 15172 3 302 . 1 1 68 68 GLU HB3 H 1 2.12 0.01 . 2 . . . . 68 GLU HB3 . 15172 3 303 . 1 1 68 68 GLU HG2 H 1 2.42 0.01 . 2 . . . . 68 GLU HG2 . 15172 3 304 . 1 1 68 68 GLU HG3 H 1 2.46 0.01 . 2 . . . . 68 GLU HG3 . 15172 3 305 . 1 1 69 69 ILE H H 1 9.82 0.01 . 1 . . . . 69 ILE HN . 15172 3 306 . 1 1 69 69 ILE HA H 1 5.17 0.01 . 1 . . . . 69 ILE HA . 15172 3 307 . 1 1 69 69 ILE HB H 1 1.76 0.01 . 1 . . . . 69 ILE HB . 15172 3 308 . 1 1 69 69 ILE HG21 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 309 . 1 1 69 69 ILE HG22 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 310 . 1 1 69 69 ILE HG23 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 311 . 1 1 69 69 ILE HD11 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 312 . 1 1 69 69 ILE HD12 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 313 . 1 1 69 69 ILE HD13 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 314 . 1 1 69 69 ILE CA C 13 59.8 0.1 . 1 . . . . 69 ILE CA . 15172 3 315 . 1 1 69 69 ILE CG2 C 13 17.0 0.1 . 1 . . . . 69 ILE CG2 . 15172 3 316 . 1 1 69 69 ILE CD1 C 13 14.4 0.1 . 1 . . . . 69 ILE CD1 . 15172 3 317 . 1 1 70 70 LYS H H 1 9.40 0.01 . 1 . . . . 70 LYS HN . 15172 3 318 . 1 1 70 70 LYS HA H 1 5.26 0.01 . 1 . . . . 70 LYS HA . 15172 3 319 . 1 1 70 70 LYS HB2 H 1 2.11 0.01 . 1 . . . . 70 LYS HB2 . 15172 3 320 . 1 1 70 70 LYS HB3 H 1 2.11 0.01 . 1 . . . . 70 LYS HB3 . 15172 3 321 . 1 1 70 70 LYS HG2 H 1 1.58 0.01 . 1 . . . . 70 LYS HG2 . 15172 3 322 . 1 1 70 70 LYS HG3 H 1 1.58 0.01 . 1 . . . . 70 LYS HG3 . 15172 3 323 . 1 1 70 70 LYS HD2 H 1 1.71 0.01 . 1 . . . . 70 LYS HD2 . 15172 3 324 . 1 1 70 70 LYS HD3 H 1 1.71 0.01 . 1 . . . . 70 LYS HD3 . 15172 3 325 . 1 1 70 70 LYS CA C 13 51.9 0.1 . 1 . . . . 70 LYS CA . 15172 3 326 . 1 1 71 71 PRO HA H 1 4.61 0.01 . 1 . . . . 71 PRO HA . 15172 3 327 . 1 1 71 71 PRO HB2 H 1 2.11 0.01 . 2 . . . . 71 PRO HB2 . 15172 3 328 . 1 1 71 71 PRO HB3 H 1 2.17 0.01 . 2 . . . . 71 PRO HB3 . 15172 3 329 . 1 1 71 71 PRO HG3 H 1 1.69 0.01 . 2 . . . . 71 PRO HG3 . 15172 3 330 . 1 1 71 71 PRO HD2 H 1 3.55 0.01 . 2 . . . . 71 PRO HD2 . 15172 3 331 . 1 1 71 71 PRO HD3 H 1 3.83 0.01 . 2 . . . . 71 PRO HD3 . 15172 3 332 . 1 1 72 72 ASP H H 1 8.43 0.01 . 1 . . . . 72 ASP HN . 15172 3 333 . 1 1 72 72 ASP HA H 1 4.84 0.01 . 1 . . . . 72 ASP HA . 15172 3 334 . 1 1 72 72 ASP HB2 H 1 2.48 0.01 . 2 . . . . 72 ASP HB2 . 15172 3 335 . 1 1 72 72 ASP HB3 H 1 2.60 0.01 . 2 . . . . 72 ASP HB3 . 15172 3 336 . 1 1 72 72 ASP CA C 13 52.9 0.1 . 1 . . . . 72 ASP CA . 15172 3 337 . 1 1 73 73 LYS HA H 1 4.19 0.01 . 1 . . . . 73 LYS HA . 15172 3 338 . 1 1 73 73 LYS HB2 H 1 1.85 0.01 . 2 . . . . 73 LYS HB2 . 15172 3 339 . 1 1 73 73 LYS HB3 H 1 2.01 0.01 . 2 . . . . 73 LYS HB3 . 15172 3 340 . 1 1 73 73 LYS HG2 H 1 1.48 0.01 . 2 . . . . 73 LYS HG2 . 15172 3 341 . 1 1 73 73 LYS HG3 H 1 1.60 0.01 . 2 . . . . 73 LYS HG3 . 15172 3 342 . 1 1 73 73 LYS HD2 H 1 1.77 0.01 . 2 . . . . 73 LYS HD2 . 15172 3 343 . 1 1 73 73 LYS HD3 H 1 1.81 0.01 . 2 . . . . 73 LYS HD3 . 15172 3 344 . 1 1 73 73 LYS HE2 H 1 3.09 0.01 . 1 . . . . 73 LYS HE2 . 15172 3 345 . 1 1 73 73 LYS HE3 H 1 3.09 0.01 . 1 . . . . 73 LYS HE3 . 15172 3 346 . 1 1 75 75 LYS HA H 1 5.22 0.01 . 1 . . . . 75 LYS HA . 15172 3 347 . 1 1 75 75 LYS HB3 H 1 1.82 0.01 . 2 . . . . 75 LYS HB3 . 15172 3 348 . 1 1 75 75 LYS HG2 H 1 1.14 0.01 . 2 . . . . 75 LYS HG2 . 15172 3 349 . 1 1 75 75 LYS HG3 H 1 1.40 0.01 . 2 . . . . 75 LYS HG3 . 15172 3 350 . 1 1 75 75 LYS HD2 H 1 1.54 0.01 . 1 . . . . 75 LYS HD2 . 15172 3 351 . 1 1 75 75 LYS HD3 H 1 1.54 0.01 . 1 . . . . 75 LYS HD3 . 15172 3 352 . 1 1 75 75 LYS HE2 H 1 2.86 0.01 . 2 . . . . 75 LYS HE2 . 15172 3 353 . 1 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . 75 LYS HE3 . 15172 3 354 . 1 1 75 75 LYS CA C 13 54.2 0.1 . 1 . . . . 75 LYS CA . 15172 3 355 . 1 1 76 76 ILE H H 1 8.75 0.01 . 1 . . . . 76 ILE HN . 15172 3 356 . 1 1 76 76 ILE HA H 1 4.80 0.01 . 1 . . . . 76 ILE HA . 15172 3 357 . 1 1 76 76 ILE HB H 1 1.55 0.01 . 1 . . . . 76 ILE HB . 15172 3 358 . 1 1 76 76 ILE HG12 H 1 0.97 0.01 . 2 . . . . 76 ILE HG12 . 15172 3 359 . 1 1 76 76 ILE HG13 H 1 1.64 0.01 . 2 . . . . 76 ILE HG13 . 15172 3 360 . 1 1 76 76 ILE HG21 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 361 . 1 1 76 76 ILE HG22 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 362 . 1 1 76 76 ILE HG23 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 363 . 1 1 76 76 ILE HD11 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 364 . 1 1 76 76 ILE HD12 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 365 . 1 1 76 76 ILE HD13 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 366 . 1 1 76 76 ILE CG2 C 13 17.1 0.1 . 1 . . . . 76 ILE CG2 . 15172 3 367 . 1 1 76 76 ILE CD1 C 13 13.0 0.1 . 1 . . . . 76 ILE CD1 . 15172 3 368 . 1 1 77 77 LEU H H 1 8.60 0.01 . 1 . . . . 77 LEU HN . 15172 3 369 . 1 1 77 77 LEU HA H 1 5.23 0.01 . 1 . . . . 77 LEU HA . 15172 3 370 . 1 1 77 77 LEU HB2 H 1 1.71 0.01 . 2 . . . . 77 LEU HB2 . 15172 3 371 . 1 1 77 77 LEU HB3 H 1 2.01 0.01 . 2 . . . . 77 LEU HB3 . 15172 3 372 . 1 1 77 77 LEU HD11 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 373 . 1 1 77 77 LEU HD12 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 374 . 1 1 77 77 LEU HD13 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 375 . 1 1 77 77 LEU HD21 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 376 . 1 1 77 77 LEU HD22 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 377 . 1 1 77 77 LEU HD23 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 378 . 1 1 77 77 LEU CD1 C 13 24.7 0.1 . 1 . . . . 77 LEU CD1 . 15172 3 379 . 1 1 77 77 LEU CD2 C 13 22.6 0.1 . 1 . . . . 77 LEU CD2 . 15172 3 380 . 1 1 78 78 VAL H H 1 9.27 0.01 . 1 . . . . 78 VAL HN . 15172 3 381 . 1 1 78 78 VAL HA H 1 5.41 0.01 . 1 . . . . 78 VAL HA . 15172 3 382 . 1 1 78 78 VAL HB H 1 2.17 0.01 . 1 . . . . 78 VAL HB . 15172 3 383 . 1 1 78 78 VAL HG11 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 384 . 1 1 78 78 VAL HG12 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 385 . 1 1 78 78 VAL HG13 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 386 . 1 1 78 78 VAL HG21 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 387 . 1 1 78 78 VAL HG22 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 388 . 1 1 78 78 VAL HG23 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 389 . 1 1 78 78 VAL CA C 13 60.2 0.1 . 1 . . . . 78 VAL CA . 15172 3 390 . 1 1 78 78 VAL CG1 C 13 21.5 0.1 . 1 . . . . 78 VAL CG1 . 15172 3 391 . 1 1 78 78 VAL CG2 C 13 22.0 0.1 . 1 . . . . 78 VAL CG2 . 15172 3 392 . 1 1 79 79 ASN H H 1 9.57 0.01 . 1 . . . . 79 ASN HN . 15172 3 393 . 1 1 79 79 ASN HA H 1 5.52 0.01 . 1 . . . . 79 ASN HA . 15172 3 394 . 1 1 79 79 ASN HB2 H 1 2.77 0.01 . 2 . . . . 79 ASN HB2 . 15172 3 395 . 1 1 79 79 ASN HB3 H 1 3.13 0.01 . 2 . . . . 79 ASN HB3 . 15172 3 396 . 1 1 79 79 ASN CA C 13 51.2 0.1 . 1 . . . . 79 ASN CA . 15172 3 397 . 1 1 80 80 THR HA H 1 4.62 0.01 . 1 . . . . 80 THR HA . 15172 3 398 . 1 1 80 80 THR HB H 1 4.35 0.01 . 1 . . . . 80 THR HB . 15172 3 399 . 1 1 80 80 THR HG21 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 400 . 1 1 80 80 THR HG22 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 401 . 1 1 80 80 THR HG23 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 402 . 1 1 83 83 TYR HD1 H 1 7.01 0.01 . 1 . . . . 83 TYR HD1 . 15172 3 403 . 1 1 83 83 TYR HD2 H 1 7.01 0.01 . 1 . . . . 83 TYR HD2 . 15172 3 404 . 1 1 83 83 TYR HE1 H 1 6.63 0.01 . 1 . . . . 83 TYR HE1 . 15172 3 405 . 1 1 83 83 TYR HE2 H 1 6.63 0.01 . 1 . . . . 83 TYR HE2 . 15172 3 406 . 1 1 87 87 ALA HA H 1 4.31 0.01 . 1 . . . . 87 ALA HA . 15172 3 407 . 1 1 87 87 ALA HB1 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 408 . 1 1 87 87 ALA HB2 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 409 . 1 1 87 87 ALA HB3 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 410 . 1 1 87 87 ALA CA C 13 51.5 0.1 . 1 . . . . 87 ALA CA . 15172 3 411 . 1 1 87 87 ALA CB C 13 19.2 0.1 . 1 . . . . 87 ALA CB . 15172 3 412 . 1 1 88 88 ASP HA H 1 4.64 0.01 . 1 . . . . 88 ASP HA . 15172 3 413 . 1 1 88 88 ASP HB2 H 1 2.70 0.01 . 2 . . . . 88 ASP HB2 . 15172 3 414 . 1 1 88 88 ASP HB3 H 1 2.89 0.01 . 2 . . . . 88 ASP HB3 . 15172 3 415 . 1 1 90 90 LEU HD11 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 416 . 1 1 90 90 LEU HD12 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 417 . 1 1 90 90 LEU HD13 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 418 . 1 1 90 90 LEU HD21 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 419 . 1 1 90 90 LEU HD22 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 420 . 1 1 90 90 LEU HD23 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 421 . 1 1 90 90 LEU CD1 C 13 24.3 0.1 . 1 . . . . 90 LEU CD1 . 15172 3 422 . 1 1 90 90 LEU CD2 C 13 25.4 0.1 . 1 . . . . 90 LEU CD2 . 15172 3 423 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 3 424 . 1 1 91 91 ALA HB1 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 425 . 1 1 91 91 ALA HB2 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 426 . 1 1 91 91 ALA HB3 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 427 . 1 1 91 91 ALA CB C 13 17.6 0.1 . 1 . . . . 91 ALA CB . 15172 3 428 . 1 1 92 92 VAL HA H 1 3.90 0.01 . 1 . . . . 92 VAL HA . 15172 3 429 . 1 1 92 92 VAL HB H 1 2.07 0.01 . 1 . . . . 92 VAL HB . 15172 3 430 . 1 1 92 92 VAL HG11 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 431 . 1 1 92 92 VAL HG12 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 432 . 1 1 92 92 VAL HG13 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 433 . 1 1 92 92 VAL HG21 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 434 . 1 1 92 92 VAL HG22 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 435 . 1 1 92 92 VAL HG23 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 436 . 1 1 92 92 VAL CG1 C 13 21.0 0.1 . 1 . . . . 92 VAL CG1 . 15172 3 437 . 1 1 92 92 VAL CG2 C 13 18.8 0.1 . 1 . . . . 92 VAL CG2 . 15172 3 438 . 1 1 93 93 VAL HA H 1 3.86 0.01 . 1 . . . . 93 VAL HA . 15172 3 439 . 1 1 93 93 VAL HB H 1 2.24 0.01 . 1 . . . . 93 VAL HB . 15172 3 440 . 1 1 93 93 VAL HG11 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 441 . 1 1 93 93 VAL HG12 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 442 . 1 1 93 93 VAL HG13 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 443 . 1 1 93 93 VAL HG21 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 444 . 1 1 93 93 VAL HG22 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 445 . 1 1 93 93 VAL HG23 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 446 . 1 1 93 93 VAL CG1 C 13 20.5 0.1 . 1 . . . . 93 VAL CG1 . 15172 3 447 . 1 1 93 93 VAL CG2 C 13 22.6 0.1 . 1 . . . . 93 VAL CG2 . 15172 3 448 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 3 449 . 1 1 94 94 ARG HB2 H 1 2.08 0.01 . 1 . . . . 94 ARG HB2 . 15172 3 450 . 1 1 94 94 ARG HB3 H 1 2.08 0.01 . 1 . . . . 94 ARG HB3 . 15172 3 451 . 1 1 94 94 ARG HG2 H 1 1.90 0.01 . 1 . . . . 94 ARG HG2 . 15172 3 452 . 1 1 94 94 ARG HG3 H 1 1.90 0.01 . 1 . . . . 94 ARG HG3 . 15172 3 453 . 1 1 94 94 ARG HD2 H 1 3.32 0.01 . 1 . . . . 94 ARG HD2 . 15172 3 454 . 1 1 94 94 ARG HD3 H 1 3.32 0.01 . 1 . . . . 94 ARG HD3 . 15172 3 455 . 1 1 95 95 THR HA H 1 4.08 0.01 . 1 . . . . 95 THR HA . 15172 3 456 . 1 1 95 95 THR HB H 1 4.40 0.01 . 1 . . . . 95 THR HB . 15172 3 457 . 1 1 95 95 THR HG21 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 458 . 1 1 95 95 THR HG22 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 459 . 1 1 95 95 THR HG23 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 460 . 1 1 95 95 THR CA C 13 65.7 0.1 . 1 . . . . 95 THR CA . 15172 3 461 . 1 1 95 95 THR CB C 13 67.7 0.1 . 1 . . . . 95 THR CB . 15172 3 462 . 1 1 95 95 THR CG2 C 13 21.2 0.1 . 1 . . . . 95 THR CG2 . 15172 3 463 . 1 1 96 96 TYR HA H 1 3.96 0.01 . 1 . . . . 96 TYR HA . 15172 3 464 . 1 1 96 96 TYR HB2 H 1 2.93 0.01 . 2 . . . . 96 TYR HB2 . 15172 3 465 . 1 1 96 96 TYR HB3 H 1 3.18 0.01 . 2 . . . . 96 TYR HB3 . 15172 3 466 . 1 1 96 96 TYR HD1 H 1 6.95 0.01 . 1 . . . . 96 TYR HD1 . 15172 3 467 . 1 1 96 96 TYR HD2 H 1 6.95 0.01 . 1 . . . . 96 TYR HD2 . 15172 3 468 . 1 1 96 96 TYR HE1 H 1 6.69 0.01 . 1 . . . . 96 TYR HE1 . 15172 3 469 . 1 1 96 96 TYR HE2 H 1 6.69 0.01 . 1 . . . . 96 TYR HE2 . 15172 3 470 . 1 1 97 97 ASN HB2 H 1 2.87 0.01 . 2 . . . . 97 ASN HB2 . 15172 3 471 . 1 1 97 97 ASN HB3 H 1 3.10 0.01 . 2 . . . . 97 ASN HB3 . 15172 3 472 . 1 1 98 98 ASP HA H 1 4.48 0.01 . 1 . . . . 98 ASP HA . 15172 3 473 . 1 1 98 98 ASP HB2 H 1 2.83 0.01 . 2 . . . . 98 ASP HB2 . 15172 3 474 . 1 1 98 98 ASP HB3 H 1 2.94 0.01 . 2 . . . . 98 ASP HB3 . 15172 3 475 . 1 1 99 99 PHE HA H 1 4.34 0.01 . 1 . . . . 99 PHE HA . 15172 3 476 . 1 1 99 99 PHE HB2 H 1 3.12 0.01 . 2 . . . . 99 PHE HB2 . 15172 3 477 . 1 1 99 99 PHE HB3 H 1 3.34 0.01 . 2 . . . . 99 PHE HB3 . 15172 3 478 . 1 1 99 99 PHE HD1 H 1 6.94 0.01 . 1 . . . . 99 PHE HD1 . 15172 3 479 . 1 1 99 99 PHE HD2 H 1 6.94 0.01 . 1 . . . . 99 PHE HD2 . 15172 3 480 . 1 1 99 99 PHE HE1 H 1 6.91 0.01 . 1 . . . . 99 PHE HE1 . 15172 3 481 . 1 1 99 99 PHE HE2 H 1 6.91 0.01 . 1 . . . . 99 PHE HE2 . 15172 3 482 . 1 1 99 99 PHE HZ H 1 6.73 0.01 . 1 . . . . 99 PHE HZ . 15172 3 483 . 1 1 100 100 ILE H H 1 8.20 0.01 . 1 . . . . 100 ILE HN . 15172 3 484 . 1 1 100 100 ILE HA H 1 3.16 0.01 . 1 . . . . 100 ILE HA . 15172 3 485 . 1 1 100 100 ILE HB H 1 1.73 0.01 . 1 . . . . 100 ILE HB . 15172 3 486 . 1 1 100 100 ILE HG12 H 1 0.47 0.01 . 2 . . . . 100 ILE HG12 . 15172 3 487 . 1 1 100 100 ILE HG13 H 1 0.90 0.01 . 2 . . . . 100 ILE HG13 . 15172 3 488 . 1 1 100 100 ILE HG21 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 489 . 1 1 100 100 ILE HG22 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 490 . 1 1 100 100 ILE HG23 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 491 . 1 1 100 100 ILE HD11 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 492 . 1 1 100 100 ILE HD12 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 493 . 1 1 100 100 ILE HD13 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 494 . 1 1 100 100 ILE CA C 13 60.5 0.1 . 1 . . . . 100 ILE CA . 15172 3 495 . 1 1 100 100 ILE CG2 C 13 16.8 0.1 . 1 . . . . 100 ILE CG2 . 15172 3 496 . 1 1 100 100 ILE CD1 C 13 6.6 0.1 . 1 . . . . 100 ILE CD1 . 15172 3 497 . 1 1 101 101 GLU H H 1 8.36 0.01 . 1 . . . . 101 GLU HN . 15172 3 498 . 1 1 101 101 GLU HA H 1 3.98 0.01 . 1 . . . . 101 GLU HA . 15172 3 499 . 1 1 101 101 GLU HB2 H 1 1.97 0.01 . 2 . . . . 101 GLU HB2 . 15172 3 500 . 1 1 101 101 GLU HB3 H 1 2.15 0.01 . 2 . . . . 101 GLU HB3 . 15172 3 501 . 1 1 102 102 LYS H H 1 8.30 0.01 . 1 . . . . 102 LYS HN . 15172 3 502 . 1 1 102 102 LYS HA H 1 4.10 0.01 . 1 . . . . 102 LYS HA . 15172 3 503 . 1 1 102 102 LYS HB2 H 1 1.91 0.01 . 2 . . . . 102 LYS HB2 . 15172 3 504 . 1 1 102 102 LYS HB3 H 1 2.04 0.01 . 2 . . . . 102 LYS HB3 . 15172 3 505 . 1 1 102 102 LYS HG2 H 1 1.62 0.01 . 1 . . . . 102 LYS HG2 . 15172 3 506 . 1 1 102 102 LYS HG3 H 1 1.62 0.01 . 1 . . . . 102 LYS HG3 . 15172 3 507 . 1 1 102 102 LYS HD2 H 1 1.72 0.01 . 1 . . . . 102 LYS HD2 . 15172 3 508 . 1 1 102 102 LYS HD3 H 1 1.72 0.01 . 1 . . . . 102 LYS HD3 . 15172 3 509 . 1 1 103 103 LEU H H 1 7.92 0.01 . 1 . . . . 103 LEU HN . 15172 3 510 . 1 1 103 103 LEU HA H 1 4.16 0.01 . 1 . . . . 103 LEU HA . 15172 3 511 . 1 1 103 103 LEU HB2 H 1 1.02 0.01 . 2 . . . . 103 LEU HB2 . 15172 3 512 . 1 1 103 103 LEU HB3 H 1 1.32 0.01 . 2 . . . . 103 LEU HB3 . 15172 3 513 . 1 1 103 103 LEU HG H 1 1.46 0.01 . 1 . . . . 103 LEU HG . 15172 3 514 . 1 1 103 103 LEU HD11 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 515 . 1 1 103 103 LEU HD12 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 516 . 1 1 103 103 LEU HD13 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 517 . 1 1 103 103 LEU HD21 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 518 . 1 1 103 103 LEU HD22 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 519 . 1 1 103 103 LEU HD23 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 520 . 1 1 103 103 LEU CD1 C 13 23.4 0.1 . 1 . . . . 103 LEU CD1 . 15172 3 521 . 1 1 103 103 LEU CD2 C 13 24.2 0.1 . 1 . . . . 103 LEU CD2 . 15172 3 522 . 1 1 104 104 THR H H 1 7.93 0.01 . 1 . . . . 104 THR HN . 15172 3 523 . 1 1 104 104 THR HA H 1 4.48 0.01 . 1 . . . . 104 THR HA . 15172 3 524 . 1 1 104 104 THR HG21 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 525 . 1 1 104 104 THR HG22 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 526 . 1 1 104 104 THR HG23 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 527 . 1 1 104 104 THR CA C 13 61.4 0.1 . 1 . . . . 104 THR CA . 15172 3 528 . 1 1 105 105 GLY H H 1 7.53 0.01 . 1 . . . . 105 GLY HN . 15172 3 529 . 1 1 105 105 GLY HA2 H 1 2.51 0.01 . 2 . . . . 105 GLY HA1 . 15172 3 530 . 1 1 105 105 GLY HA3 H 1 2.76 0.01 . 2 . . . . 105 GLY HA2 . 15172 3 531 . 1 1 106 106 TYR HA H 1 5.09 0.01 . 1 . . . . 106 TYR HA . 15172 3 532 . 1 1 106 106 TYR HB2 H 1 2.82 0.01 . 2 . . . . 106 TYR HB2 . 15172 3 533 . 1 1 106 106 TYR HB3 H 1 2.98 0.01 . 2 . . . . 106 TYR HB3 . 15172 3 534 . 1 1 106 106 TYR HD1 H 1 7.04 0.01 . 1 . . . . 106 TYR HD1 . 15172 3 535 . 1 1 106 106 TYR HD2 H 1 7.04 0.01 . 1 . . . . 106 TYR HD2 . 15172 3 536 . 1 1 106 106 TYR HE1 H 1 6.58 0.01 . 1 . . . . 106 TYR HE1 . 15172 3 537 . 1 1 106 106 TYR HE2 H 1 6.58 0.01 . 1 . . . . 106 TYR HE2 . 15172 3 538 . 1 1 107 107 SER HA H 1 4.39 0.01 . 1 . . . . 107 SER HA . 15172 3 539 . 1 1 107 107 SER HB2 H 1 3.94 0.01 . 1 . . . . 107 SER HB2 . 15172 3 540 . 1 1 107 107 SER HB3 H 1 3.94 0.01 . 1 . . . . 107 SER HB3 . 15172 3 541 . 1 1 108 108 ALA HA H 1 4.02 0.01 . 1 . . . . 108 ALA HA . 15172 3 542 . 1 1 108 108 ALA HB1 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 543 . 1 1 108 108 ALA HB2 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 544 . 1 1 108 108 ALA HB3 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 545 . 1 1 108 108 ALA CA C 13 54.7 0.1 . 1 . . . . 108 ALA CA . 15172 3 546 . 1 1 108 108 ALA CB C 13 17.2 0.1 . 1 . . . . 108 ALA CB . 15172 3 547 . 1 1 110 110 GLU HA H 1 4.05 0.01 . 1 . . . . 110 GLU HA . 15172 3 548 . 1 1 110 110 GLU HB2 H 1 2.10 0.01 . 1 . . . . 110 GLU HB2 . 15172 3 549 . 1 1 110 110 GLU HB3 H 1 2.10 0.01 . 1 . . . . 110 GLU HB3 . 15172 3 550 . 1 1 110 110 GLU HG2 H 1 2.35 0.01 . 2 . . . . 110 GLU HG2 . 15172 3 551 . 1 1 110 110 GLU HG3 H 1 2.41 0.01 . 2 . . . . 110 GLU HG3 . 15172 3 552 . 1 1 111 111 ARG HA H 1 3.93 0.01 . 1 . . . . 111 ARG HA . 15172 3 553 . 1 1 114 114 MET HA H 1 4.33 0.01 . 1 . . . . 114 MET HA . 15172 3 554 . 1 1 114 114 MET HB2 H 1 2.03 0.01 . 2 . . . . 114 MET HB2 . 15172 3 555 . 1 1 114 114 MET HB3 H 1 2.10 0.01 . 2 . . . . 114 MET HB3 . 15172 3 556 . 1 1 114 114 MET HG2 H 1 2.49 0.01 . 2 . . . . 114 MET HG2 . 15172 3 557 . 1 1 114 114 MET HG3 H 1 2.56 0.01 . 2 . . . . 114 MET HG3 . 15172 3 558 . 1 1 115 115 MET HA H 1 4.53 0.01 . 1 . . . . 115 MET HA . 15172 3 559 . 1 1 115 115 MET HB2 H 1 2.12 0.01 . 2 . . . . 115 MET HB2 . 15172 3 560 . 1 1 115 115 MET HB3 H 1 2.23 0.01 . 2 . . . . 115 MET HB3 . 15172 3 561 . 1 1 115 115 MET HG2 H 1 2.63 0.01 . 2 . . . . 115 MET HG2 . 15172 3 562 . 1 1 115 115 MET HG3 H 1 2.71 0.01 . 2 . . . . 115 MET HG3 . 15172 3 563 . 1 1 116 116 THR HA H 1 4.39 0.01 . 1 . . . . 116 THR HA . 15172 3 564 . 1 1 116 116 THR HB H 1 4.30 0.01 . 1 . . . . 116 THR HB . 15172 3 565 . 1 1 116 116 THR HG21 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 566 . 1 1 116 116 THR HG22 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 567 . 1 1 116 116 THR HG23 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 568 . 1 1 116 116 THR CA C 13 61.2 0.1 . 1 . . . . 116 THR CA . 15172 3 569 . 1 1 116 116 THR CB C 13 69.2 0.1 . 1 . . . . 116 THR CB . 15172 3 570 . 1 1 116 116 THR CG2 C 13 20.9 0.1 . 1 . . . . 116 THR CG2 . 15172 3 571 . 1 1 118 118 ASP HA H 1 4.68 0.01 . 1 . . . . 118 ASP HA . 15172 3 572 . 1 1 118 118 ASP HB2 H 1 2.75 0.01 . 1 . . . . 118 ASP HB2 . 15172 3 573 . 1 1 118 118 ASP HB3 H 1 2.75 0.01 . 1 . . . . 118 ASP HB3 . 15172 3 574 . 1 1 118 118 ASP CA C 13 53.7 0.1 . 1 . . . . 118 ASP CA . 15172 3 575 . 1 1 118 118 ASP CB C 13 40.6 0.1 . 1 . . . . 118 ASP CB . 15172 3 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1 15172 3 1 2 15172 3 1 3 15172 3 2 4 15172 3 stop_ save_