################################### # 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_lambdaQ_chemshiftlist _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode lambdaQ_chemshiftlist _Assigned_chem_shift_list.Entry_ID 28043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $lambdaQ_conditions _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' . . . 28043 1 2 '3D HNCA' . . . 28043 1 3 '3D HNCACB' . . . 28043 1 4 '3D HNCO' . . . 28043 1 5 '3D HN(CA)CO' . . . 28043 1 6 '3D HN(CO)CA' . . . 28043 1 7 '3D HN(COCA)CB' . . . 28043 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 $NMRView . . 28043 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 31 31 ALA C C 13 179.64 0.20 . 1 . . . . . 66 ALA C . 28043 1 2 . 1 . 1 31 31 ALA CA C 13 54.80 0.20 . 1 . . . . . 66 ALA CA . 28043 1 3 . 1 . 1 31 31 ALA CB C 13 18.75 0.20 . 1 . . . . . 66 ALA CB . 28043 1 4 . 1 . 1 32 32 ILE H H 1 8.06 0.03 . 1 . . . . . 67 ILE H . 28043 1 5 . 1 . 1 32 32 ILE C C 13 178.06 0.20 . 1 . . . . . 67 ILE C . 28043 1 6 . 1 . 1 32 32 ILE CA C 13 65.01 0.20 . 1 . . . . . 67 ILE CA . 28043 1 7 . 1 . 1 32 32 ILE CB C 13 36.85 0.20 . 1 . . . . . 67 ILE CB . 28043 1 8 . 1 . 1 32 32 ILE N N 15 118.40 0.20 . 1 . . . . . 67 ILE N . 28043 1 9 . 1 . 1 33 33 ASN H H 1 8.45 0.03 . 1 . . . . . 68 ASN H . 28043 1 10 . 1 . 1 33 33 ASN C C 13 178.32 0.20 . 1 . . . . . 68 ASN C . 28043 1 11 . 1 . 1 33 33 ASN CA C 13 56.15 0.20 . 1 . . . . . 68 ASN CA . 28043 1 12 . 1 . 1 33 33 ASN CB C 13 37.65 0.20 . 1 . . . . . 68 ASN CB . 28043 1 13 . 1 . 1 33 33 ASN N N 15 118.83 0.20 . 1 . . . . . 68 ASN N . 28043 1 14 . 1 . 1 34 34 TYR H H 1 8.06 0.03 . 1 . . . . . 69 TYR H . 28043 1 15 . 1 . 1 34 34 TYR C C 13 178.44 0.20 . 1 . . . . . 69 TYR C . 28043 1 16 . 1 . 1 34 34 TYR CA C 13 61.14 0.20 . 1 . . . . . 69 TYR CA . 28043 1 17 . 1 . 1 34 34 TYR CB C 13 37.37 0.20 . 1 . . . . . 69 TYR CB . 28043 1 18 . 1 . 1 34 34 TYR N N 15 121.26 0.20 . 1 . . . . . 69 TYR N . 28043 1 19 . 1 . 1 35 35 LEU H H 1 8.50 0.03 . 1 . . . . . 70 LEU H . 28043 1 20 . 1 . 1 35 35 LEU C C 13 179.10 0.20 . 1 . . . . . 70 LEU C . 28043 1 21 . 1 . 1 35 35 LEU CA C 13 56.93 0.20 . 1 . . . . . 70 LEU CA . 28043 1 22 . 1 . 1 35 35 LEU CB C 13 41.95 0.20 . 1 . . . . . 70 LEU CB . 28043 1 23 . 1 . 1 35 35 LEU N N 15 121.75 0.20 . 1 . . . . . 70 LEU N . 28043 1 24 . 1 . 1 36 36 MET H H 1 8.95 0.03 . 1 . . . . . 71 MET H . 28043 1 25 . 1 . 1 36 36 MET C C 13 178.41 0.20 . 1 . . . . . 71 MET C . 28043 1 26 . 1 . 1 36 36 MET CA C 13 59.04 0.20 . 1 . . . . . 71 MET CA . 28043 1 27 . 1 . 1 36 36 MET CB C 13 31.93 0.20 . 1 . . . . . 71 MET CB . 28043 1 28 . 1 . 1 36 36 MET N N 15 119.47 0.20 . 1 . . . . . 71 MET N . 28043 1 29 . 1 . 1 37 37 GLN H H 1 7.95 0.03 . 1 . . . . . 72 GLN H . 28043 1 30 . 1 . 1 37 37 GLN C C 13 179.17 0.20 . 1 . . . . . 72 GLN C . 28043 1 31 . 1 . 1 37 37 GLN CA C 13 58.78 0.20 . 1 . . . . . 72 GLN CA . 28043 1 32 . 1 . 1 37 37 GLN CB C 13 27.57 0.20 . 1 . . . . . 72 GLN CB . 28043 1 33 . 1 . 1 37 37 GLN N N 15 119.39 0.20 . 1 . . . . . 72 GLN N . 28043 1 34 . 1 . 1 38 38 PHE H H 1 8.15 0.03 . 1 . . . . . 73 PHE H . 28043 1 35 . 1 . 1 38 38 PHE C C 13 176.55 0.20 . 1 . . . . . 73 PHE C . 28043 1 36 . 1 . 1 38 38 PHE CA C 13 61.16 0.20 . 1 . . . . . 73 PHE CA . 28043 1 37 . 1 . 1 38 38 PHE CB C 13 38.10 0.20 . 1 . . . . . 73 PHE CB . 28043 1 38 . 1 . 1 38 38 PHE N N 15 122.58 0.20 . 1 . . . . . 73 PHE N . 28043 1 39 . 1 . 1 39 39 ALA H H 1 8.94 0.03 . 1 . . . . . 74 ALA H . 28043 1 40 . 1 . 1 39 39 ALA C C 13 179.42 0.20 . 1 . . . . . 74 ALA C . 28043 1 41 . 1 . 1 39 39 ALA CA C 13 54.09 0.20 . 1 . . . . . 74 ALA CA . 28043 1 42 . 1 . 1 39 39 ALA CB C 13 18.25 0.20 . 1 . . . . . 74 ALA CB . 28043 1 43 . 1 . 1 39 39 ALA N N 15 120.17 0.20 . 1 . . . . . 74 ALA N . 28043 1 44 . 1 . 1 40 40 HIS H H 1 8.33 0.03 . 1 . . . . . 75 HIS H . 28043 1 45 . 1 . 1 40 40 HIS C C 13 179.34 0.20 . 1 . . . . . 75 HIS C . 28043 1 46 . 1 . 1 40 40 HIS CA C 13 60.65 0.20 . 1 . . . . . 75 HIS CA . 28043 1 47 . 1 . 1 40 40 HIS CB C 13 30.33 0.20 . 1 . . . . . 75 HIS CB . 28043 1 48 . 1 . 1 40 40 HIS N N 15 115.49 0.20 . 1 . . . . . 75 HIS N . 28043 1 49 . 1 . 1 41 41 LYS C C 13 179.41 0.20 . 1 . . . . . 76 LYS C . 28043 1 50 . 1 . 1 41 41 LYS CA C 13 59.29 0.20 . 1 . . . . . 76 LYS CA . 28043 1 51 . 1 . 1 41 41 LYS CB C 13 31.58 0.20 . 1 . . . . . 76 LYS CB . 28043 1 52 . 1 . 1 42 42 VAL H H 1 7.67 0.03 . 1 . . . . . 77 VAL H . 28043 1 53 . 1 . 1 42 42 VAL C C 13 177.89 0.20 . 1 . . . . . 77 VAL C . 28043 1 54 . 1 . 1 42 42 VAL CA C 13 61.65 0.20 . 1 . . . . . 77 VAL CA . 28043 1 55 . 1 . 1 42 42 VAL CB C 13 31.58 0.20 . 1 . . . . . 77 VAL CB . 28043 1 56 . 1 . 1 42 42 VAL N N 15 109.92 0.20 . 1 . . . . . 77 VAL N . 28043 1 57 . 1 . 1 43 43 SER H H 1 7.76 0.03 . 1 . . . . . 78 SER H . 28043 1 58 . 1 . 1 43 43 SER C C 13 175.23 0.20 . 1 . . . . . 78 SER C . 28043 1 59 . 1 . 1 43 43 SER CA C 13 62.71 0.20 . 1 . . . . . 78 SER CA . 28043 1 60 . 1 . 1 43 43 SER CB C 13 62.70 0.20 . 1 . . . . . 78 SER CB . 28043 1 61 . 1 . 1 43 43 SER N N 15 116.61 0.20 . 1 . . . . . 78 SER N . 28043 1 62 . 1 . 1 44 44 GLY H H 1 8.41 0.03 . 1 . . . . . 79 GLY H . 28043 1 63 . 1 . 1 44 44 GLY C C 13 175.23 0.20 . 1 . . . . . 79 GLY C . 28043 1 64 . 1 . 1 44 44 GLY CA C 13 45.89 0.20 . 1 . . . . . 79 GLY CA . 28043 1 65 . 1 . 1 44 44 GLY N N 15 107.22 0.20 . 1 . . . . . 79 GLY N . 28043 1 66 . 1 . 1 45 45 LYS H H 1 7.88 0.03 . 1 . . . . . 80 LYS H . 28043 1 67 . 1 . 1 45 45 LYS C C 13 175.88 0.20 . 1 . . . . . 80 LYS C . 28043 1 68 . 1 . 1 45 45 LYS CA C 13 56.25 0.20 . 1 . . . . . 80 LYS CA . 28043 1 69 . 1 . 1 45 45 LYS CB C 13 31.47 0.20 . 1 . . . . . 80 LYS CB . 28043 1 70 . 1 . 1 45 45 LYS N N 15 117.59 0.20 . 1 . . . . . 80 LYS N . 28043 1 71 . 1 . 1 46 46 TYR H H 1 7.72 0.03 . 1 . . . . . 81 TYR H . 28043 1 72 . 1 . 1 46 46 TYR C C 13 176.25 0.20 . 1 . . . . . 81 TYR C . 28043 1 73 . 1 . 1 46 46 TYR CA C 13 56.40 0.20 . 1 . . . . . 81 TYR CA . 28043 1 74 . 1 . 1 46 46 TYR CB C 13 37.17 0.20 . 1 . . . . . 81 TYR CB . 28043 1 75 . 1 . 1 46 46 TYR N N 15 119.72 0.20 . 1 . . . . . 81 TYR N . 28043 1 76 . 1 . 1 48 48 GLY H H 1 8.88 0.03 . 1 . . . . . 83 GLY H . 28043 1 77 . 1 . 1 48 48 GLY C C 13 173.88 0.20 . 1 . . . . . 83 GLY C . 28043 1 78 . 1 . 1 48 48 GLY CA C 13 46.02 0.20 . 1 . . . . . 83 GLY CA . 28043 1 79 . 1 . 1 48 48 GLY N N 15 104.63 0.20 . 1 . . . . . 83 GLY N . 28043 1 80 . 1 . 1 49 49 VAL H H 1 7.53 0.03 . 1 . . . . . 84 VAL H . 28043 1 81 . 1 . 1 49 49 VAL C C 13 176.93 0.20 . 1 . . . . . 84 VAL C . 28043 1 82 . 1 . 1 49 49 VAL CA C 13 62.05 0.20 . 1 . . . . . 84 VAL CA . 28043 1 83 . 1 . 1 49 49 VAL CB C 13 32.21 0.20 . 1 . . . . . 84 VAL CB . 28043 1 84 . 1 . 1 49 49 VAL N N 15 114.11 0.20 . 1 . . . . . 84 VAL N . 28043 1 85 . 1 . 1 50 50 ALA H H 1 8.38 0.03 . 1 . . . . . 85 ALA H . 28043 1 86 . 1 . 1 50 50 ALA C C 13 179.04 0.20 . 1 . . . . . 85 ALA C . 28043 1 87 . 1 . 1 50 50 ALA CA C 13 54.68 0.20 . 1 . . . . . 85 ALA CA . 28043 1 88 . 1 . 1 50 50 ALA CB C 13 19.14 0.20 . 1 . . . . . 85 ALA CB . 28043 1 89 . 1 . 1 50 50 ALA N N 15 121.60 0.20 . 1 . . . . . 85 ALA N . 28043 1 90 . 1 . 1 51 51 LYS H H 1 7.68 0.03 . 1 . . . . . 86 LYS H . 28043 1 91 . 1 . 1 51 51 LYS C C 13 176.91 0.20 . 1 . . . . . 86 LYS C . 28043 1 92 . 1 . 1 51 51 LYS CA C 13 55.32 0.20 . 1 . . . . . 86 LYS CA . 28043 1 93 . 1 . 1 51 51 LYS CB C 13 31.35 0.20 . 1 . . . . . 86 LYS CB . 28043 1 94 . 1 . 1 51 51 LYS N N 15 111.54 0.20 . 1 . . . . . 86 LYS N . 28043 1 95 . 1 . 1 52 52 LEU H H 1 7.32 0.03 . 1 . . . . . 87 LEU H . 28043 1 96 . 1 . 1 52 52 LEU C C 13 176.43 0.20 . 1 . . . . . 87 LEU C . 28043 1 97 . 1 . 1 52 52 LEU CA C 13 54.41 0.20 . 1 . . . . . 87 LEU CA . 28043 1 98 . 1 . 1 52 52 LEU CB C 13 42.00 0.20 . 1 . . . . . 87 LEU CB . 28043 1 99 . 1 . 1 52 52 LEU N N 15 120.91 0.20 . 1 . . . . . 87 LEU N . 28043 1 100 . 1 . 1 53 53 GLU H H 1 8.61 0.03 . 1 . . . . . 88 GLU H . 28043 1 101 . 1 . 1 53 53 GLU C C 13 178.01 0.20 . 1 . . . . . 88 GLU C . 28043 1 102 . 1 . 1 53 53 GLU CA C 13 56.25 0.20 . 1 . . . . . 88 GLU CA . 28043 1 103 . 1 . 1 53 53 GLU CB C 13 29.65 0.20 . 1 . . . . . 88 GLU CB . 28043 1 104 . 1 . 1 53 53 GLU N N 15 121.61 0.20 . 1 . . . . . 88 GLU N . 28043 1 105 . 1 . 1 54 54 GLY H H 1 8.77 0.03 . 1 . . . . . 89 GLY H . 28043 1 106 . 1 . 1 54 54 GLY C C 13 176.19 0.20 . 1 . . . . . 89 GLY C . 28043 1 107 . 1 . 1 54 54 GLY CA C 13 46.01 0.20 . 1 . . . . . 89 GLY CA . 28043 1 108 . 1 . 1 54 54 GLY N N 15 109.64 0.20 . 1 . . . . . 89 GLY N . 28043 1 109 . 1 . 1 56 56 THR H H 1 8.20 0.03 . 1 . . . . . 91 THR H . 28043 1 110 . 1 . 1 56 56 THR C C 13 175.63 0.20 . 1 . . . . . 91 THR C . 28043 1 111 . 1 . 1 56 56 THR CA C 13 66.80 0.20 . 1 . . . . . 91 THR CA . 28043 1 112 . 1 . 1 56 56 THR CB C 13 68.10 0.20 . 1 . . . . . 91 THR CB . 28043 1 113 . 1 . 1 56 56 THR N N 15 118.96 0.20 . 1 . . . . . 91 THR N . 28043 1 114 . 1 . 1 57 57 LYS H H 1 8.77 0.03 . 1 . . . . . 92 LYS H . 28043 1 115 . 1 . 1 57 57 LYS C C 13 177.47 0.20 . 1 . . . . . 92 LYS C . 28043 1 116 . 1 . 1 57 57 LYS CA C 13 60.15 0.20 . 1 . . . . . 92 LYS CA . 28043 1 117 . 1 . 1 57 57 LYS CB C 13 31.44 0.20 . 1 . . . . . 92 LYS CB . 28043 1 118 . 1 . 1 57 57 LYS N N 15 121.66 0.20 . 1 . . . . . 92 LYS N . 28043 1 119 . 1 . 1 58 58 ALA H H 1 7.89 0.03 . 1 . . . . . 93 ALA H . 28043 1 120 . 1 . 1 58 58 ALA C C 13 180.64 0.20 . 1 . . . . . 93 ALA C . 28043 1 121 . 1 . 1 58 58 ALA CA C 13 55.33 0.20 . 1 . . . . . 93 ALA CA . 28043 1 122 . 1 . 1 58 58 ALA CB C 13 17.38 0.20 . 1 . . . . . 93 ALA CB . 28043 1 123 . 1 . 1 58 58 ALA N N 15 118.52 0.20 . 1 . . . . . 93 ALA N . 28043 1 124 . 1 . 1 59 59 LYS H H 1 7.73 0.03 . 1 . . . . . 94 LYS H . 28043 1 125 . 1 . 1 59 59 LYS C C 13 179.41 0.20 . 1 . . . . . 94 LYS C . 28043 1 126 . 1 . 1 59 59 LYS CA C 13 59.13 0.20 . 1 . . . . . 94 LYS CA . 28043 1 127 . 1 . 1 59 59 LYS CB C 13 32.08 0.20 . 1 . . . . . 94 LYS CB . 28043 1 128 . 1 . 1 59 59 LYS N N 15 117.61 0.20 . 1 . . . . . 94 LYS N . 28043 1 129 . 1 . 1 60 60 VAL H H 1 8.67 0.03 . 1 . . . . . 95 VAL H . 28043 1 130 . 1 . 1 60 60 VAL C C 13 177.73 0.20 . 1 . . . . . 95 VAL C . 28043 1 131 . 1 . 1 60 60 VAL CA C 13 66.62 0.20 . 1 . . . . . 95 VAL CA . 28043 1 132 . 1 . 1 60 60 VAL CB C 13 31.07 0.20 . 1 . . . . . 95 VAL CB . 28043 1 133 . 1 . 1 60 60 VAL N N 15 120.25 0.20 . 1 . . . . . 95 VAL N . 28043 1 134 . 1 . 1 61 61 LEU H H 1 8.64 0.03 . 1 . . . . . 96 LEU H . 28043 1 135 . 1 . 1 61 61 LEU C C 13 178.17 0.20 . 1 . . . . . 96 LEU C . 28043 1 136 . 1 . 1 61 61 LEU CA C 13 58.30 0.20 . 1 . . . . . 96 LEU CA . 28043 1 137 . 1 . 1 61 61 LEU CB C 13 39.20 0.20 . 1 . . . . . 96 LEU CB . 28043 1 138 . 1 . 1 61 61 LEU N N 15 118.13 0.20 . 1 . . . . . 96 LEU N . 28043 1 139 . 1 . 1 62 62 GLN H H 1 7.92 0.03 . 1 . . . . . 97 GLN H . 28043 1 140 . 1 . 1 62 62 GLN C C 13 179.67 0.20 . 1 . . . . . 97 GLN C . 28043 1 141 . 1 . 1 62 62 GLN CA C 13 59.69 0.20 . 1 . . . . . 97 GLN CA . 28043 1 142 . 1 . 1 62 62 GLN CB C 13 27.77 0.20 . 1 . . . . . 97 GLN CB . 28043 1 143 . 1 . 1 62 62 GLN N N 15 118.45 0.20 . 1 . . . . . 97 GLN N . 28043 1 144 . 1 . 1 63 63 VAL H H 1 8.19 0.03 . 1 . . . . . 98 VAL H . 28043 1 145 . 1 . 1 63 63 VAL C C 13 178.41 0.20 . 1 . . . . . 98 VAL C . 28043 1 146 . 1 . 1 63 63 VAL CA C 13 66.54 0.20 . 1 . . . . . 98 VAL CA . 28043 1 147 . 1 . 1 63 63 VAL CB C 13 31.37 0.20 . 1 . . . . . 98 VAL CB . 28043 1 148 . 1 . 1 63 63 VAL N N 15 122.55 0.20 . 1 . . . . . 98 VAL N . 28043 1 149 . 1 . 1 64 64 LEU H H 1 8.82 0.03 . 1 . . . . . 99 LEU H . 28043 1 150 . 1 . 1 64 64 LEU CA C 13 58.42 0.20 . 1 . . . . . 99 LEU CA . 28043 1 151 . 1 . 1 64 64 LEU CB C 13 41.23 0.20 . 1 . . . . . 99 LEU CB . 28043 1 152 . 1 . 1 64 64 LEU N N 15 117.76 0.20 . 1 . . . . . 99 LEU N . 28043 1 153 . 1 . 1 65 65 ALA H H 1 8.54 0.03 . 1 . . . . . 100 ALA H . 28043 1 154 . 1 . 1 65 65 ALA C C 13 178.32 0.20 . 1 . . . . . 100 ALA C . 28043 1 155 . 1 . 1 65 65 ALA CA C 13 55.42 0.20 . 1 . . . . . 100 ALA CA . 28043 1 156 . 1 . 1 65 65 ALA CB C 13 18.36 0.20 . 1 . . . . . 100 ALA CB . 28043 1 157 . 1 . 1 65 65 ALA N N 15 118.78 0.20 . 1 . . . . . 100 ALA N . 28043 1 158 . 1 . 1 66 66 THR H H 1 8.11 0.03 . 1 . . . . . 101 THR H . 28043 1 159 . 1 . 1 66 66 THR C C 13 177.61 0.20 . 1 . . . . . 101 THR C . 28043 1 160 . 1 . 1 66 66 THR CA C 13 67.11 0.20 . 1 . . . . . 101 THR CA . 28043 1 161 . 1 . 1 66 66 THR CB C 13 68.70 0.20 . 1 . . . . . 101 THR CB . 28043 1 162 . 1 . 1 66 66 THR N N 15 113.30 0.20 . 1 . . . . . 101 THR N . 28043 1 163 . 1 . 1 67 67 PHE H H 1 8.72 0.03 . 1 . . . . . 102 PHE H . 28043 1 164 . 1 . 1 67 67 PHE C C 13 177.84 0.20 . 1 . . . . . 102 PHE C . 28043 1 165 . 1 . 1 67 67 PHE CA C 13 62.57 0.20 . 1 . . . . . 102 PHE CA . 28043 1 166 . 1 . 1 67 67 PHE CB C 13 38.19 0.20 . 1 . . . . . 102 PHE CB . 28043 1 167 . 1 . 1 67 67 PHE N N 15 119.94 0.20 . 1 . . . . . 102 PHE N . 28043 1 168 . 1 . 1 68 68 ALA H H 1 9.19 0.03 . 1 . . . . . 103 ALA H . 28043 1 169 . 1 . 1 68 68 ALA C C 13 179.17 0.20 . 1 . . . . . 103 ALA C . 28043 1 170 . 1 . 1 68 68 ALA CA C 13 55.07 0.20 . 1 . . . . . 103 ALA CA . 28043 1 171 . 1 . 1 68 68 ALA CB C 13 18.76 0.20 . 1 . . . . . 103 ALA CB . 28043 1 172 . 1 . 1 68 68 ALA N N 15 124.20 0.20 . 1 . . . . . 103 ALA N . 28043 1 173 . 1 . 1 69 69 TYR H H 1 8.06 0.03 . 1 . . . . . 104 TYR H . 28043 1 174 . 1 . 1 69 69 TYR C C 13 177.92 0.20 . 1 . . . . . 104 TYR C . 28043 1 175 . 1 . 1 69 69 TYR CA C 13 61.24 0.20 . 1 . . . . . 104 TYR CA . 28043 1 176 . 1 . 1 69 69 TYR CB C 13 38.19 0.20 . 1 . . . . . 104 TYR CB . 28043 1 177 . 1 . 1 69 69 TYR N N 15 116.66 0.20 . 1 . . . . . 104 TYR N . 28043 1 178 . 1 . 1 70 70 ALA H H 1 7.75 0.03 . 1 . . . . . 105 ALA H . 28043 1 179 . 1 . 1 70 70 ALA C C 13 180.33 0.20 . 1 . . . . . 105 ALA C . 28043 1 180 . 1 . 1 70 70 ALA CA C 13 54.96 0.20 . 1 . . . . . 105 ALA CA . 28043 1 181 . 1 . 1 70 70 ALA CB C 13 17.34 0.20 . 1 . . . . . 105 ALA CB . 28043 1 182 . 1 . 1 70 70 ALA N N 15 121.03 0.20 . 1 . . . . . 105 ALA N . 28043 1 183 . 1 . 1 75 75 SER H H 1 8.07 0.03 . 1 . . . . . 110 SER H . 28043 1 184 . 1 . 1 75 75 SER C C 13 174.90 0.20 . 1 . . . . . 110 SER C . 28043 1 185 . 1 . 1 75 75 SER CA C 13 61.02 0.20 . 1 . . . . . 110 SER CA . 28043 1 186 . 1 . 1 75 75 SER CB C 13 63.09 0.20 . 1 . . . . . 110 SER CB . 28043 1 187 . 1 . 1 75 75 SER N N 15 116.90 0.20 . 1 . . . . . 110 SER N . 28043 1 188 . 1 . 1 76 76 ALA H H 1 7.91 0.03 . 1 . . . . . 111 ALA H . 28043 1 189 . 1 . 1 76 76 ALA C C 13 177.96 0.20 . 1 . . . . . 111 ALA C . 28043 1 190 . 1 . 1 76 76 ALA CA C 13 52.94 0.20 . 1 . . . . . 111 ALA CA . 28043 1 191 . 1 . 1 76 76 ALA CB C 13 17.55 0.20 . 1 . . . . . 111 ALA CB . 28043 1 192 . 1 . 1 76 76 ALA N N 15 122.46 0.20 . 1 . . . . . 111 ALA N . 28043 1 193 . 1 . 1 77 77 ALA H H 1 7.42 0.03 . 1 . . . . . 112 ALA H . 28043 1 194 . 1 . 1 77 77 ALA C C 13 177.69 0.20 . 1 . . . . . 112 ALA C . 28043 1 195 . 1 . 1 77 77 ALA CA C 13 51.85 0.20 . 1 . . . . . 112 ALA CA . 28043 1 196 . 1 . 1 77 77 ALA CB C 13 18.83 0.20 . 1 . . . . . 112 ALA CB . 28043 1 197 . 1 . 1 77 77 ALA N N 15 118.14 0.20 . 1 . . . . . 112 ALA N . 28043 1 198 . 1 . 1 78 78 THR H H 1 7.58 0.03 . 1 . . . . . 113 THR H . 28043 1 199 . 1 . 1 78 78 THR C C 13 172.72 0.20 . 1 . . . . . 113 THR C . 28043 1 200 . 1 . 1 78 78 THR CA C 13 59.81 0.20 . 1 . . . . . 113 THR CA . 28043 1 201 . 1 . 1 78 78 THR CB C 13 69.44 0.20 . 1 . . . . . 113 THR CB . 28043 1 202 . 1 . 1 78 78 THR N N 15 115.84 0.20 . 1 . . . . . 113 THR N . 28043 1 203 . 1 . 1 80 80 GLY C C 13 174.28 0.20 . 1 . . . . . 115 GLY C . 28043 1 204 . 1 . 1 80 80 GLY CA C 13 45.17 0.20 . 1 . . . . . 115 GLY CA . 28043 1 205 . 1 . 1 81 81 ALA H H 1 7.92 0.03 . 1 . . . . . 116 ALA H . 28043 1 206 . 1 . 1 81 81 ALA C C 13 177.68 0.20 . 1 . . . . . 116 ALA C . 28043 1 207 . 1 . 1 81 81 ALA CA C 13 52.60 0.20 . 1 . . . . . 116 ALA CA . 28043 1 208 . 1 . 1 81 81 ALA CB C 13 19.10 0.20 . 1 . . . . . 116 ALA CB . 28043 1 209 . 1 . 1 81 81 ALA N N 15 121.99 0.20 . 1 . . . . . 116 ALA N . 28043 1 210 . 1 . 1 82 82 ARG H H 1 8.04 0.03 . 1 . . . . . 117 ARG H . 28043 1 211 . 1 . 1 82 82 ARG C C 13 175.51 0.20 . 1 . . . . . 117 ARG C . 28043 1 212 . 1 . 1 82 82 ARG CA C 13 56.15 0.20 . 1 . . . . . 117 ARG CA . 28043 1 213 . 1 . 1 82 82 ARG CB C 13 30.21 0.20 . 1 . . . . . 117 ARG CB . 28043 1 214 . 1 . 1 82 82 ARG N N 15 119.66 0.20 . 1 . . . . . 117 ARG N . 28043 1 215 . 1 . 1 83 83 CYS H H 1 8.25 0.03 . 1 . . . . . 118 CYS H . 28043 1 216 . 1 . 1 83 83 CYS C C 13 177.18 0.20 . 1 . . . . . 118 CYS C . 28043 1 217 . 1 . 1 83 83 CYS CA C 13 59.56 0.20 . 1 . . . . . 118 CYS CA . 28043 1 218 . 1 . 1 83 83 CYS CB C 13 31.07 0.20 . 1 . . . . . 118 CYS CB . 28043 1 219 . 1 . 1 83 83 CYS N N 15 127.36 0.20 . 1 . . . . . 118 CYS N . 28043 1 220 . 1 . 1 84 84 ARG H H 1 8.71 0.03 . 1 . . . . . 119 ARG H . 28043 1 221 . 1 . 1 84 84 ARG C C 13 176.92 0.20 . 1 . . . . . 119 ARG C . 28043 1 222 . 1 . 1 84 84 ARG CA C 13 57.54 0.20 . 1 . . . . . 119 ARG CA . 28043 1 223 . 1 . 1 84 84 ARG CB C 13 29.54 0.20 . 1 . . . . . 119 ARG CB . 28043 1 224 . 1 . 1 84 84 ARG N N 15 128.48 0.20 . 1 . . . . . 119 ARG N . 28043 1 225 . 1 . 1 85 85 ASP H H 1 8.59 0.03 . 1 . . . . . 120 ASP H . 28043 1 226 . 1 . 1 85 85 ASP C C 13 176.60 0.20 . 1 . . . . . 120 ASP C . 28043 1 227 . 1 . 1 85 85 ASP CA C 13 56.19 0.20 . 1 . . . . . 120 ASP CA . 28043 1 228 . 1 . 1 85 85 ASP CB C 13 40.95 0.20 . 1 . . . . . 120 ASP CB . 28043 1 229 . 1 . 1 85 85 ASP N N 15 121.15 0.20 . 1 . . . . . 120 ASP N . 28043 1 230 . 1 . 1 86 86 CYS H H 1 7.51 0.03 . 1 . . . . . 121 CYS H . 28043 1 231 . 1 . 1 86 86 CYS C C 13 177.62 0.20 . 1 . . . . . 121 CYS C . 28043 1 232 . 1 . 1 86 86 CYS CA C 13 57.31 0.20 . 1 . . . . . 121 CYS CA . 28043 1 233 . 1 . 1 86 86 CYS CB C 13 31.80 0.20 . 1 . . . . . 121 CYS CB . 28043 1 234 . 1 . 1 86 86 CYS N N 15 114.96 0.20 . 1 . . . . . 121 CYS N . 28043 1 235 . 1 . 1 87 87 HIS H H 1 7.71 0.03 . 1 . . . . . 122 HIS H . 28043 1 236 . 1 . 1 87 87 HIS C C 13 175.05 0.20 . 1 . . . . . 122 HIS C . 28043 1 237 . 1 . 1 87 87 HIS CA C 13 56.97 0.20 . 1 . . . . . 122 HIS CA . 28043 1 238 . 1 . 1 87 87 HIS CB C 13 27.35 0.20 . 1 . . . . . 122 HIS CB . 28043 1 239 . 1 . 1 87 87 HIS N N 15 120.78 0.20 . 1 . . . . . 122 HIS N . 28043 1 240 . 1 . 1 88 88 GLY H H 1 8.26 0.03 . 1 . . . . . 123 GLY H . 28043 1 241 . 1 . 1 88 88 GLY C C 13 174.86 0.20 . 1 . . . . . 123 GLY C . 28043 1 242 . 1 . 1 88 88 GLY CA C 13 44.76 0.20 . 1 . . . . . 123 GLY CA . 28043 1 243 . 1 . 1 88 88 GLY N N 15 105.82 0.20 . 1 . . . . . 123 GLY N . 28043 1 244 . 1 . 1 89 89 THR H H 1 7.89 0.03 . 1 . . . . . 124 THR H . 28043 1 245 . 1 . 1 89 89 THR C C 13 176.75 0.20 . 1 . . . . . 124 THR C . 28043 1 246 . 1 . 1 89 89 THR CA C 13 63.19 0.20 . 1 . . . . . 124 THR CA . 28043 1 247 . 1 . 1 89 89 THR N N 15 110.98 0.20 . 1 . . . . . 124 THR N . 28043 1 248 . 1 . 1 90 90 GLY H H 1 9.77 0.03 . 1 . . . . . 125 GLY H . 28043 1 249 . 1 . 1 90 90 GLY C C 13 173.90 0.20 . 1 . . . . . 125 GLY C . 28043 1 250 . 1 . 1 90 90 GLY CA C 13 44.95 0.20 . 1 . . . . . 125 GLY CA . 28043 1 251 . 1 . 1 90 90 GLY N N 15 114.22 0.20 . 1 . . . . . 125 GLY N . 28043 1 252 . 1 . 1 91 91 ARG H H 1 8.15 0.03 . 1 . . . . . 126 ARG H . 28043 1 253 . 1 . 1 91 91 ARG C C 13 173.40 0.20 . 1 . . . . . 126 ARG C . 28043 1 254 . 1 . 1 91 91 ARG CA C 13 53.75 0.20 . 1 . . . . . 126 ARG CA . 28043 1 255 . 1 . 1 91 91 ARG CB C 13 32.41 0.20 . 1 . . . . . 126 ARG CB . 28043 1 256 . 1 . 1 91 91 ARG N N 15 121.76 0.20 . 1 . . . . . 126 ARG N . 28043 1 257 . 1 . 1 92 92 ALA H H 1 8.69 0.03 . 1 . . . . . 127 ALA H . 28043 1 258 . 1 . 1 92 92 ALA C C 13 176.25 0.20 . 1 . . . . . 127 ALA C . 28043 1 259 . 1 . 1 92 92 ALA CA C 13 49.77 0.20 . 1 . . . . . 127 ALA CA . 28043 1 260 . 1 . 1 92 92 ALA CB C 13 22.35 0.20 . 1 . . . . . 127 ALA CB . 28043 1 261 . 1 . 1 92 92 ALA N N 15 122.72 0.20 . 1 . . . . . 127 ALA N . 28043 1 262 . 1 . 1 93 93 VAL H H 1 8.43 0.03 . 1 . . . . . 128 VAL H . 28043 1 263 . 1 . 1 93 93 VAL C C 13 176.01 0.20 . 1 . . . . . 128 VAL C . 28043 1 264 . 1 . 1 93 93 VAL CA C 13 63.38 0.20 . 1 . . . . . 128 VAL CA . 28043 1 265 . 1 . 1 93 93 VAL CB C 13 32.17 0.20 . 1 . . . . . 128 VAL CB . 28043 1 266 . 1 . 1 93 93 VAL N N 15 120.40 0.20 . 1 . . . . . 128 VAL N . 28043 1 267 . 1 . 1 94 94 ASP H H 1 9.16 0.03 . 1 . . . . . 129 ASP H . 28043 1 268 . 1 . 1 94 94 ASP C C 13 176.73 0.20 . 1 . . . . . 129 ASP C . 28043 1 269 . 1 . 1 94 94 ASP CA C 13 52.13 0.20 . 1 . . . . . 129 ASP CA . 28043 1 270 . 1 . 1 94 94 ASP CB C 13 40.31 0.20 . 1 . . . . . 129 ASP CB . 28043 1 271 . 1 . 1 94 94 ASP N N 15 127.07 0.20 . 1 . . . . . 129 ASP N . 28043 1 272 . 1 . 1 95 95 ILE H H 1 8.57 0.03 . 1 . . . . . 130 ILE H . 28043 1 273 . 1 . 1 95 95 ILE C C 13 177.39 0.20 . 1 . . . . . 130 ILE C . 28043 1 274 . 1 . 1 95 95 ILE CA C 13 63.93 0.20 . 1 . . . . . 130 ILE CA . 28043 1 275 . 1 . 1 95 95 ILE CB C 13 36.78 0.20 . 1 . . . . . 130 ILE CB . 28043 1 276 . 1 . 1 95 95 ILE N N 15 129.22 0.20 . 1 . . . . . 130 ILE N . 28043 1 277 . 1 . 1 96 96 ALA H H 1 8.11 0.03 . 1 . . . . . 131 ALA H . 28043 1 278 . 1 . 1 96 96 ALA C C 13 181.14 0.20 . 1 . . . . . 131 ALA C . 28043 1 279 . 1 . 1 96 96 ALA CA C 13 54.46 0.20 . 1 . . . . . 131 ALA CA . 28043 1 280 . 1 . 1 96 96 ALA CB C 13 17.85 0.20 . 1 . . . . . 131 ALA CB . 28043 1 281 . 1 . 1 96 96 ALA N N 15 122.25 0.20 . 1 . . . . . 131 ALA N . 28043 1 282 . 1 . 1 97 97 LYS H H 1 7.95 0.03 . 1 . . . . . 132 LYS H . 28043 1 283 . 1 . 1 97 97 LYS C C 13 177.83 0.20 . 1 . . . . . 132 LYS C . 28043 1 284 . 1 . 1 97 97 LYS CA C 13 58.48 0.20 . 1 . . . . . 132 LYS CA . 28043 1 285 . 1 . 1 97 97 LYS CB C 13 32.06 0.20 . 1 . . . . . 132 LYS CB . 28043 1 286 . 1 . 1 97 97 LYS N N 15 117.54 0.20 . 1 . . . . . 132 LYS N . 28043 1 287 . 1 . 1 98 98 THR H H 1 8.16 0.03 . 1 . . . . . 133 THR H . 28043 1 288 . 1 . 1 98 98 THR C C 13 177.47 0.20 . 1 . . . . . 133 THR C . 28043 1 289 . 1 . 1 98 98 THR CA C 13 65.28 0.20 . 1 . . . . . 133 THR CA . 28043 1 290 . 1 . 1 98 98 THR CB C 13 68.88 0.20 . 1 . . . . . 133 THR CB . 28043 1 291 . 1 . 1 98 98 THR N N 15 118.36 0.20 . 1 . . . . . 133 THR N . 28043 1 292 . 1 . 1 99 99 GLU H H 1 7.98 0.03 . 1 . . . . . 134 GLU H . 28043 1 293 . 1 . 1 99 99 GLU C C 13 178.39 0.20 . 1 . . . . . 134 GLU C . 28043 1 294 . 1 . 1 99 99 GLU CA C 13 58.32 0.20 . 1 . . . . . 134 GLU CA . 28043 1 295 . 1 . 1 99 99 GLU CB C 13 29.05 0.20 . 1 . . . . . 134 GLU CB . 28043 1 296 . 1 . 1 99 99 GLU N N 15 120.90 0.20 . 1 . . . . . 134 GLU N . 28043 1 297 . 1 . 1 100 100 LEU H H 1 7.62 0.03 . 1 . . . . . 135 LEU H . 28043 1 298 . 1 . 1 100 100 LEU C C 13 179.01 0.20 . 1 . . . . . 135 LEU C . 28043 1 299 . 1 . 1 100 100 LEU CA C 13 57.03 0.20 . 1 . . . . . 135 LEU CA . 28043 1 300 . 1 . 1 100 100 LEU CB C 13 41.99 0.20 . 1 . . . . . 135 LEU CB . 28043 1 301 . 1 . 1 100 100 LEU N N 15 119.54 0.20 . 1 . . . . . 135 LEU N . 28043 1 302 . 1 . 1 101 101 TRP H H 1 8.52 0.03 . 1 . . . . . 136 TRP H . 28043 1 303 . 1 . 1 101 101 TRP C C 13 177.77 0.20 . 1 . . . . . 136 TRP C . 28043 1 304 . 1 . 1 101 101 TRP CA C 13 56.65 0.20 . 1 . . . . . 136 TRP CA . 28043 1 305 . 1 . 1 101 101 TRP CB C 13 29.41 0.20 . 1 . . . . . 136 TRP CB . 28043 1 306 . 1 . 1 101 101 TRP N N 15 115.79 0.20 . 1 . . . . . 136 TRP N . 28043 1 307 . 1 . 1 102 102 GLY H H 1 8.08 0.03 . 1 . . . . . 137 GLY H . 28043 1 308 . 1 . 1 102 102 GLY C C 13 173.47 0.20 . 1 . . . . . 137 GLY C . 28043 1 309 . 1 . 1 102 102 GLY CA C 13 46.24 0.20 . 1 . . . . . 137 GLY CA . 28043 1 310 . 1 . 1 102 102 GLY N N 15 108.86 0.20 . 1 . . . . . 137 GLY N . 28043 1 311 . 1 . 1 103 103 ARG H H 1 7.82 0.03 . 1 . . . . . 138 ARG H . 28043 1 312 . 1 . 1 103 103 ARG C C 13 173.41 0.20 . 1 . . . . . 138 ARG C . 28043 1 313 . 1 . 1 103 103 ARG CA C 13 53.44 0.20 . 1 . . . . . 138 ARG CA . 28043 1 314 . 1 . 1 103 103 ARG CB C 13 31.07 0.20 . 1 . . . . . 138 ARG CB . 28043 1 315 . 1 . 1 103 103 ARG N N 15 116.10 0.20 . 1 . . . . . 138 ARG N . 28043 1 316 . 1 . 1 104 104 VAL H H 1 8.32 0.03 . 1 . . . . . 139 VAL H . 28043 1 317 . 1 . 1 104 104 VAL C C 13 176.35 0.20 . 1 . . . . . 139 VAL C . 28043 1 318 . 1 . 1 104 104 VAL CA C 13 64.18 0.20 . 1 . . . . . 139 VAL CA . 28043 1 319 . 1 . 1 104 104 VAL CB C 13 30.89 0.20 . 1 . . . . . 139 VAL CB . 28043 1 320 . 1 . 1 104 104 VAL N N 15 118.95 0.20 . 1 . . . . . 139 VAL N . 28043 1 321 . 1 . 1 105 105 VAL H H 1 8.59 0.03 . 1 . . . . . 140 VAL H . 28043 1 322 . 1 . 1 105 105 VAL C C 13 174.77 0.20 . 1 . . . . . 140 VAL C . 28043 1 323 . 1 . 1 105 105 VAL CA C 13 61.09 0.20 . 1 . . . . . 140 VAL CA . 28043 1 324 . 1 . 1 105 105 VAL CB C 13 33.28 0.20 . 1 . . . . . 140 VAL CB . 28043 1 325 . 1 . 1 105 105 VAL N N 15 131.77 0.20 . 1 . . . . . 140 VAL N . 28043 1 326 . 1 . 1 106 106 GLU H H 1 8.61 0.03 . 1 . . . . . 141 GLU H . 28043 1 327 . 1 . 1 106 106 GLU C C 13 175.50 0.20 . 1 . . . . . 141 GLU C . 28043 1 328 . 1 . 1 106 106 GLU CA C 13 54.67 0.20 . 1 . . . . . 141 GLU CA . 28043 1 329 . 1 . 1 106 106 GLU CB C 13 32.58 0.20 . 1 . . . . . 141 GLU CB . 28043 1 330 . 1 . 1 106 106 GLU N N 15 124.54 0.20 . 1 . . . . . 141 GLU N . 28043 1 331 . 1 . 1 107 107 LYS H H 1 9.09 0.03 . 1 . . . . . 142 LYS H . 28043 1 332 . 1 . 1 107 107 LYS C C 13 174.60 0.20 . 1 . . . . . 142 LYS C . 28043 1 333 . 1 . 1 107 107 LYS CA C 13 53.58 0.20 . 1 . . . . . 142 LYS CA . 28043 1 334 . 1 . 1 107 107 LYS CB C 13 34.89 0.20 . 1 . . . . . 142 LYS CB . 28043 1 335 . 1 . 1 107 107 LYS N N 15 119.24 0.20 . 1 . . . . . 142 LYS N . 28043 1 336 . 1 . 1 108 108 GLU H H 1 8.60 0.03 . 1 . . . . . 143 GLU H . 28043 1 337 . 1 . 1 108 108 GLU C C 13 175.99 0.20 . 1 . . . . . 143 GLU C . 28043 1 338 . 1 . 1 108 108 GLU CA C 13 56.66 0.20 . 1 . . . . . 143 GLU CA . 28043 1 339 . 1 . 1 108 108 GLU CB C 13 29.62 0.20 . 1 . . . . . 143 GLU CB . 28043 1 340 . 1 . 1 108 108 GLU N N 15 120.42 0.20 . 1 . . . . . 143 GLU N . 28043 1 341 . 1 . 1 109 109 CYS H H 1 7.95 0.03 . 1 . . . . . 144 CYS H . 28043 1 342 . 1 . 1 109 109 CYS C C 13 177.06 0.20 . 1 . . . . . 144 CYS C . 28043 1 343 . 1 . 1 109 109 CYS CA C 13 59.53 0.20 . 1 . . . . . 144 CYS CA . 28043 1 344 . 1 . 1 109 109 CYS CB C 13 30.56 0.20 . 1 . . . . . 144 CYS CB . 28043 1 345 . 1 . 1 109 109 CYS N N 15 126.43 0.20 . 1 . . . . . 144 CYS N . 28043 1 346 . 1 . 1 110 110 GLY H H 1 8.80 0.03 . 1 . . . . . 145 GLY H . 28043 1 347 . 1 . 1 110 110 GLY C C 13 174.86 0.20 . 1 . . . . . 145 GLY C . 28043 1 348 . 1 . 1 110 110 GLY CA C 13 46.18 0.20 . 1 . . . . . 145 GLY CA . 28043 1 349 . 1 . 1 110 110 GLY N N 15 117.14 0.20 . 1 . . . . . 145 GLY N . 28043 1 350 . 1 . 1 111 111 ARG H H 1 8.68 0.03 . 1 . . . . . 146 ARG H . 28043 1 351 . 1 . 1 111 111 ARG C C 13 177.26 0.20 . 1 . . . . . 146 ARG C . 28043 1 352 . 1 . 1 111 111 ARG CA C 13 58.17 0.20 . 1 . . . . . 146 ARG CA . 28043 1 353 . 1 . 1 111 111 ARG CB C 13 29.54 0.20 . 1 . . . . . 146 ARG CB . 28043 1 354 . 1 . 1 111 111 ARG N N 15 123.97 0.20 . 1 . . . . . 146 ARG N . 28043 1 355 . 1 . 1 112 112 CYS H H 1 7.72 0.03 . 1 . . . . . 147 CYS H . 28043 1 356 . 1 . 1 112 112 CYS C C 13 177.13 0.20 . 1 . . . . . 147 CYS C . 28043 1 357 . 1 . 1 112 112 CYS CA C 13 57.40 0.20 . 1 . . . . . 147 CYS CA . 28043 1 358 . 1 . 1 112 112 CYS CB C 13 31.07 0.20 . 1 . . . . . 147 CYS CB . 28043 1 359 . 1 . 1 112 112 CYS N N 15 114.58 0.20 . 1 . . . . . 147 CYS N . 28043 1 360 . 1 . 1 113 113 LYS H H 1 7.80 0.03 . 1 . . . . . 148 LYS H . 28043 1 361 . 1 . 1 113 113 LYS C C 13 176.00 0.20 . 1 . . . . . 148 LYS C . 28043 1 362 . 1 . 1 113 113 LYS CA C 13 56.44 0.20 . 1 . . . . . 148 LYS CA . 28043 1 363 . 1 . 1 113 113 LYS CB C 13 28.53 0.20 . 1 . . . . . 148 LYS CB . 28043 1 364 . 1 . 1 113 113 LYS N N 15 121.08 0.20 . 1 . . . . . 148 LYS N . 28043 1 365 . 1 . 1 114 114 GLY H H 1 8.06 0.03 . 1 . . . . . 149 GLY H . 28043 1 366 . 1 . 1 114 114 GLY C C 13 174.46 0.20 . 1 . . . . . 149 GLY C . 28043 1 367 . 1 . 1 114 114 GLY CA C 13 44.90 0.20 . 1 . . . . . 149 GLY CA . 28043 1 368 . 1 . 1 114 114 GLY N N 15 104.75 0.20 . 1 . . . . . 149 GLY N . 28043 1 369 . 1 . 1 115 115 VAL H H 1 7.50 0.03 . 1 . . . . . 150 VAL H . 28043 1 370 . 1 . 1 115 115 VAL C C 13 176.28 0.20 . 1 . . . . . 150 VAL C . 28043 1 371 . 1 . 1 115 115 VAL CA C 13 63.79 0.20 . 1 . . . . . 150 VAL CA . 28043 1 372 . 1 . 1 115 115 VAL CB C 13 32.19 0.20 . 1 . . . . . 150 VAL CB . 28043 1 373 . 1 . 1 115 115 VAL N N 15 119.73 0.20 . 1 . . . . . 150 VAL N . 28043 1 374 . 1 . 1 123 123 SER H H 1 7.71 0.03 . 1 . . . . . 158 SER H . 28043 1 375 . 1 . 1 123 123 SER C C 13 179.18 0.20 . 1 . . . . . 158 SER C . 28043 1 376 . 1 . 1 123 123 SER CA C 13 60.45 0.20 . 1 . . . . . 158 SER CA . 28043 1 377 . 1 . 1 123 123 SER CB C 13 62.62 0.20 . 1 . . . . . 158 SER CB . 28043 1 378 . 1 . 1 123 123 SER N N 15 114.01 0.20 . 1 . . . . . 158 SER N . 28043 1 379 . 1 . 1 124 124 ALA C C 13 179.50 0.20 . 1 . . . . . 159 ALA C . 28043 1 380 . 1 . 1 124 124 ALA CA C 13 54.54 0.20 . 1 . . . . . 159 ALA CA . 28043 1 381 . 1 . 1 124 124 ALA CB C 13 17.70 0.20 . 1 . . . . . 159 ALA CB . 28043 1 382 . 1 . 1 125 125 ALA H H 1 7.62 0.03 . 1 . . . . . 160 ALA H . 28043 1 383 . 1 . 1 125 125 ALA C C 13 177.56 0.20 . 1 . . . . . 160 ALA C . 28043 1 384 . 1 . 1 125 125 ALA CA C 13 54.26 0.20 . 1 . . . . . 160 ALA CA . 28043 1 385 . 1 . 1 125 125 ALA CB C 13 17.23 0.20 . 1 . . . . . 160 ALA CB . 28043 1 386 . 1 . 1 125 125 ALA N N 15 121.80 0.20 . 1 . . . . . 160 ALA N . 28043 1 387 . 1 . 1 126 126 TYR H H 1 7.18 0.03 . 1 . . . . . 161 TYR H . 28043 1 388 . 1 . 1 126 126 TYR C C 13 176.80 0.20 . 1 . . . . . 161 TYR C . 28043 1 389 . 1 . 1 126 126 TYR CA C 13 59.13 0.20 . 1 . . . . . 161 TYR CA . 28043 1 390 . 1 . 1 126 126 TYR CB C 13 35.70 0.20 . 1 . . . . . 161 TYR CB . 28043 1 391 . 1 . 1 126 126 TYR N N 15 117.42 0.20 . 1 . . . . . 161 TYR N . 28043 1 392 . 1 . 1 127 127 ARG H H 1 7.63 0.03 . 1 . . . . . 162 ARG H . 28043 1 393 . 1 . 1 127 127 ARG C C 13 179.23 0.20 . 1 . . . . . 162 ARG C . 28043 1 394 . 1 . 1 127 127 ARG CA C 13 58.29 0.20 . 1 . . . . . 162 ARG CA . 28043 1 395 . 1 . 1 127 127 ARG CB C 13 28.49 0.20 . 1 . . . . . 162 ARG CB . 28043 1 396 . 1 . 1 127 127 ARG N N 15 117.53 0.20 . 1 . . . . . 162 ARG N . 28043 1 397 . 1 . 1 128 128 ALA H H 1 7.45 0.03 . 1 . . . . . 163 ALA H . 28043 1 398 . 1 . 1 128 128 ALA C C 13 180.87 0.20 . 1 . . . . . 163 ALA C . 28043 1 399 . 1 . 1 128 128 ALA CA C 13 54.56 0.20 . 1 . . . . . 163 ALA CA . 28043 1 400 . 1 . 1 128 128 ALA CB C 13 18.75 0.20 . 1 . . . . . 163 ALA CB . 28043 1 401 . 1 . 1 128 128 ALA N N 15 120.78 0.20 . 1 . . . . . 163 ALA N . 28043 1 402 . 1 . 1 129 129 VAL H H 1 8.10 0.03 . 1 . . . . . 164 VAL H . 28043 1 403 . 1 . 1 129 129 VAL C C 13 178.82 0.20 . 1 . . . . . 164 VAL C . 28043 1 404 . 1 . 1 129 129 VAL CA C 13 66.12 0.20 . 1 . . . . . 164 VAL CA . 28043 1 405 . 1 . 1 129 129 VAL CB C 13 30.37 0.20 . 1 . . . . . 164 VAL CB . 28043 1 406 . 1 . 1 129 129 VAL N N 15 117.89 0.20 . 1 . . . . . 164 VAL N . 28043 1 407 . 1 . 1 130 130 THR H H 1 8.07 0.03 . 1 . . . . . 165 THR H . 28043 1 408 . 1 . 1 130 130 THR C C 13 175.40 0.20 . 1 . . . . . 165 THR C . 28043 1 409 . 1 . 1 130 130 THR CA C 13 64.60 0.20 . 1 . . . . . 165 THR CA . 28043 1 410 . 1 . 1 130 130 THR CB C 13 68.68 0.20 . 1 . . . . . 165 THR CB . 28043 1 411 . 1 . 1 130 130 THR N N 15 114.88 0.20 . 1 . . . . . 165 THR N . 28043 1 412 . 1 . 1 131 131 MET H H 1 6.94 0.03 . 1 . . . . . 166 MET H . 28043 1 413 . 1 . 1 131 131 MET C C 13 177.17 0.20 . 1 . . . . . 166 MET C . 28043 1 414 . 1 . 1 131 131 MET CA C 13 56.57 0.20 . 1 . . . . . 166 MET CA . 28043 1 415 . 1 . 1 131 131 MET CB C 13 31.09 0.20 . 1 . . . . . 166 MET CB . 28043 1 416 . 1 . 1 131 131 MET N N 15 116.52 0.20 . 1 . . . . . 166 MET N . 28043 1 417 . 1 . 1 132 132 LEU H H 1 7.38 0.03 . 1 . . . . . 167 LEU H . 28043 1 418 . 1 . 1 132 132 LEU C C 13 176.51 0.20 . 1 . . . . . 167 LEU C . 28043 1 419 . 1 . 1 132 132 LEU CA C 13 54.97 0.20 . 1 . . . . . 167 LEU CA . 28043 1 420 . 1 . 1 132 132 LEU CB C 13 43.78 0.20 . 1 . . . . . 167 LEU CB . 28043 1 421 . 1 . 1 132 132 LEU N N 15 117.41 0.20 . 1 . . . . . 167 LEU N . 28043 1 422 . 1 . 1 133 133 ILE H H 1 7.83 0.03 . 1 . . . . . 168 ILE H . 28043 1 423 . 1 . 1 133 133 ILE C C 13 172.61 0.20 . 1 . . . . . 168 ILE C . 28043 1 424 . 1 . 1 133 133 ILE CA C 13 58.05 0.20 . 1 . . . . . 168 ILE CA . 28043 1 425 . 1 . 1 133 133 ILE CB C 13 37.68 0.20 . 1 . . . . . 168 ILE CB . 28043 1 426 . 1 . 1 133 133 ILE N N 15 118.84 0.20 . 1 . . . . . 168 ILE N . 28043 1 427 . 1 . 1 134 134 PRO C C 13 177.64 0.20 . 1 . . . . . 169 PRO C . 28043 1 428 . 1 . 1 134 134 PRO CA C 13 63.75 0.20 . 1 . . . . . 169 PRO CA . 28043 1 429 . 1 . 1 134 134 PRO CB C 13 31.45 0.20 . 1 . . . . . 169 PRO CB . 28043 1 430 . 1 . 1 135 135 ASN H H 1 8.50 0.03 . 1 . . . . . 170 ASN H . 28043 1 431 . 1 . 1 135 135 ASN C C 13 174.88 0.20 . 1 . . . . . 170 ASN C . 28043 1 432 . 1 . 1 135 135 ASN CA C 13 52.81 0.20 . 1 . . . . . 170 ASN CA . 28043 1 433 . 1 . 1 135 135 ASN CB C 13 37.10 0.20 . 1 . . . . . 170 ASN CB . 28043 1 434 . 1 . 1 135 135 ASN N N 15 114.05 0.20 . 1 . . . . . 170 ASN N . 28043 1 435 . 1 . 1 136 136 LEU H H 1 7.88 0.03 . 1 . . . . . 171 LEU H . 28043 1 436 . 1 . 1 136 136 LEU C C 13 176.54 0.20 . 1 . . . . . 171 LEU C . 28043 1 437 . 1 . 1 136 136 LEU CA C 13 55.22 0.20 . 1 . . . . . 171 LEU CA . 28043 1 438 . 1 . 1 136 136 LEU CB C 13 41.32 0.20 . 1 . . . . . 171 LEU CB . 28043 1 439 . 1 . 1 136 136 LEU N N 15 121.68 0.20 . 1 . . . . . 171 LEU N . 28043 1 440 . 1 . 1 139 139 PRO C C 13 179.68 0.20 . 1 . . . . . 174 PRO C . 28043 1 441 . 1 . 1 139 139 PRO CA C 13 65.77 0.20 . 1 . . . . . 174 PRO CA . 28043 1 442 . 1 . 1 139 139 PRO CB C 13 30.49 0.20 . 1 . . . . . 174 PRO CB . 28043 1 443 . 1 . 1 140 140 THR H H 1 7.45 0.03 . 1 . . . . . 175 THR H . 28043 1 444 . 1 . 1 140 140 THR C C 13 178.98 0.20 . 1 . . . . . 175 THR C . 28043 1 445 . 1 . 1 140 140 THR CA C 13 66.25 0.20 . 1 . . . . . 175 THR CA . 28043 1 446 . 1 . 1 140 140 THR CB C 13 67.67 0.20 . 1 . . . . . 175 THR CB . 28043 1 447 . 1 . 1 140 140 THR N N 15 114.42 0.20 . 1 . . . . . 175 THR N . 28043 1 448 . 1 . 1 141 141 TRP H H 1 9.24 0.03 . 1 . . . . . 176 TRP H . 28043 1 449 . 1 . 1 141 141 TRP C C 13 177.88 0.20 . 1 . . . . . 176 TRP C . 28043 1 450 . 1 . 1 141 141 TRP CA C 13 60.67 0.20 . 1 . . . . . 176 TRP CA . 28043 1 451 . 1 . 1 141 141 TRP CB C 13 28.68 0.20 . 1 . . . . . 176 TRP CB . 28043 1 452 . 1 . 1 141 141 TRP N N 15 127.88 0.20 . 1 . . . . . 176 TRP N . 28043 1 453 . 1 . 1 142 142 SER H H 1 8.97 0.03 . 1 . . . . . 177 SER H . 28043 1 454 . 1 . 1 142 142 SER C C 13 174.81 0.20 . 1 . . . . . 177 SER C . 28043 1 455 . 1 . 1 142 142 SER CA C 13 61.85 0.20 . 1 . . . . . 177 SER CA . 28043 1 456 . 1 . 1 142 142 SER CB C 13 62.85 0.20 . 1 . . . . . 177 SER CB . 28043 1 457 . 1 . 1 142 142 SER N N 15 117.22 0.20 . 1 . . . . . 177 SER N . 28043 1 458 . 1 . 1 143 143 ARG H H 1 7.70 0.03 . 1 . . . . . 178 ARG H . 28043 1 459 . 1 . 1 143 143 ARG C C 13 178.36 0.20 . 1 . . . . . 178 ARG C . 28043 1 460 . 1 . 1 143 143 ARG CA C 13 57.50 0.20 . 1 . . . . . 178 ARG CA . 28043 1 461 . 1 . 1 143 143 ARG CB C 13 31.70 0.20 . 1 . . . . . 178 ARG CB . 28043 1 462 . 1 . 1 143 143 ARG N N 15 115.17 0.20 . 1 . . . . . 178 ARG N . 28043 1 463 . 1 . 1 144 144 THR H H 1 8.05 0.03 . 1 . . . . . 179 THR H . 28043 1 464 . 1 . 1 144 144 THR C C 13 174.09 0.20 . 1 . . . . . 179 THR C . 28043 1 465 . 1 . 1 144 144 THR CA C 13 62.38 0.20 . 1 . . . . . 179 THR CA . 28043 1 466 . 1 . 1 144 144 THR CB C 13 71.31 0.20 . 1 . . . . . 179 THR CB . 28043 1 467 . 1 . 1 144 144 THR N N 15 130.46 0.20 . 1 . . . . . 179 THR N . 28043 1 468 . 1 . 1 145 145 VAL H H 1 7.57 0.03 . 1 . . . . . 180 VAL H . 28043 1 469 . 1 . 1 145 145 VAL C C 13 174.84 0.20 . 1 . . . . . 180 VAL C . 28043 1 470 . 1 . 1 145 145 VAL CA C 13 63.66 0.20 . 1 . . . . . 180 VAL CA . 28043 1 471 . 1 . 1 145 145 VAL CB C 13 33.35 0.20 . 1 . . . . . 180 VAL CB . 28043 1 472 . 1 . 1 145 145 VAL N N 15 120.67 0.20 . 1 . . . . . 180 VAL N . 28043 1 473 . 1 . 1 146 146 LYS H H 1 8.09 0.03 . 1 . . . . . 181 LYS H . 28043 1 474 . 1 . 1 146 146 LYS C C 13 173.02 0.20 . 1 . . . . . 181 LYS C . 28043 1 475 . 1 . 1 146 146 LYS CA C 13 59.50 0.20 . 1 . . . . . 181 LYS CA . 28043 1 476 . 1 . 1 146 146 LYS CB C 13 29.53 0.20 . 1 . . . . . 181 LYS CB . 28043 1 477 . 1 . 1 146 146 LYS N N 15 121.63 0.20 . 1 . . . . . 181 LYS N . 28043 1 478 . 1 . 1 147 147 PRO C C 13 176.55 0.20 . 1 . . . . . 182 PRO C . 28043 1 479 . 1 . 1 147 147 PRO CA C 13 65.97 0.20 . 1 . . . . . 182 PRO CA . 28043 1 480 . 1 . 1 148 148 LEU H H 1 7.04 0.03 . 1 . . . . . 183 LEU H . 28043 1 481 . 1 . 1 148 148 LEU C C 13 178.02 0.20 . 1 . . . . . 183 LEU C . 28043 1 482 . 1 . 1 148 148 LEU CA C 13 56.78 0.20 . 1 . . . . . 183 LEU CA . 28043 1 483 . 1 . 1 148 148 LEU CB C 13 38.71 0.20 . 1 . . . . . 183 LEU CB . 28043 1 484 . 1 . 1 148 148 LEU N N 15 118.14 0.20 . 1 . . . . . 183 LEU N . 28043 1 485 . 1 . 1 149 149 TYR H H 1 6.94 0.03 . 1 . . . . . 184 TYR H . 28043 1 486 . 1 . 1 149 149 TYR C C 13 176.59 0.20 . 1 . . . . . 184 TYR C . 28043 1 487 . 1 . 1 149 149 TYR CA C 13 62.25 0.20 . 1 . . . . . 184 TYR CA . 28043 1 488 . 1 . 1 149 149 TYR CB C 13 37.60 0.20 . 1 . . . . . 184 TYR CB . 28043 1 489 . 1 . 1 149 149 TYR N N 15 119.82 0.20 . 1 . . . . . 184 TYR N . 28043 1 490 . 1 . 1 150 150 ASP H H 1 8.94 0.03 . 1 . . . . . 185 ASP H . 28043 1 491 . 1 . 1 150 150 ASP C C 13 178.54 0.20 . 1 . . . . . 185 ASP C . 28043 1 492 . 1 . 1 150 150 ASP CA C 13 57.02 0.20 . 1 . . . . . 185 ASP CA . 28043 1 493 . 1 . 1 150 150 ASP CB C 13 39.47 0.20 . 1 . . . . . 185 ASP CB . 28043 1 494 . 1 . 1 150 150 ASP N N 15 117.98 0.20 . 1 . . . . . 185 ASP N . 28043 1 495 . 1 . 1 151 151 ALA H H 1 7.66 0.03 . 1 . . . . . 186 ALA H . 28043 1 496 . 1 . 1 151 151 ALA C C 13 181.13 0.20 . 1 . . . . . 186 ALA C . 28043 1 497 . 1 . 1 151 151 ALA CA C 13 54.55 0.20 . 1 . . . . . 186 ALA CA . 28043 1 498 . 1 . 1 151 151 ALA CB C 13 16.89 0.20 . 1 . . . . . 186 ALA CB . 28043 1 499 . 1 . 1 151 151 ALA N N 15 121.54 0.20 . 1 . . . . . 186 ALA N . 28043 1 500 . 1 . 1 152 152 LEU H H 1 8.11 0.03 . 1 . . . . . 187 LEU H . 28043 1 501 . 1 . 1 152 152 LEU C C 13 178.30 0.20 . 1 . . . . . 187 LEU C . 28043 1 502 . 1 . 1 152 152 LEU CA C 13 57.38 0.20 . 1 . . . . . 187 LEU CA . 28043 1 503 . 1 . 1 152 152 LEU CB C 13 40.22 0.20 . 1 . . . . . 187 LEU CB . 28043 1 504 . 1 . 1 152 152 LEU N N 15 119.61 0.20 . 1 . . . . . 187 LEU N . 28043 1 505 . 1 . 1 161 161 SER C C 13 175.50 0.20 . 1 . . . . . 196 SER C . 28043 1 506 . 1 . 1 161 161 SER CA C 13 59.66 0.20 . 1 . . . . . 196 SER CA . 28043 1 507 . 1 . 1 161 161 SER CB C 13 63.09 0.20 . 1 . . . . . 196 SER CB . 28043 1 508 . 1 . 1 162 162 ILE H H 1 7.77 0.03 . 1 . . . . . 197 ILE H . 28043 1 509 . 1 . 1 162 162 ILE C C 13 176.90 0.20 . 1 . . . . . 197 ILE C . 28043 1 510 . 1 . 1 162 162 ILE CA C 13 62.39 0.20 . 1 . . . . . 197 ILE CA . 28043 1 511 . 1 . 1 162 162 ILE CB C 13 37.68 0.20 . 1 . . . . . 197 ILE CB . 28043 1 512 . 1 . 1 162 162 ILE N N 15 121.79 0.20 . 1 . . . . . 197 ILE N . 28043 1 513 . 1 . 1 163 163 ALA H H 1 8.07 0.03 . 1 . . . . . 198 ALA H . 28043 1 514 . 1 . 1 163 163 ALA C C 13 178.66 0.20 . 1 . . . . . 198 ALA C . 28043 1 515 . 1 . 1 163 163 ALA CA C 13 53.47 0.20 . 1 . . . . . 198 ALA CA . 28043 1 516 . 1 . 1 163 163 ALA CB C 13 18.46 0.20 . 1 . . . . . 198 ALA CB . 28043 1 517 . 1 . 1 163 163 ALA N N 15 124.47 0.20 . 1 . . . . . 198 ALA N . 28043 1 518 . 1 . 1 164 164 ASP H H 1 8.27 0.03 . 1 . . . . . 199 ASP H . 28043 1 519 . 1 . 1 164 164 ASP C C 13 176.77 0.20 . 1 . . . . . 199 ASP C . 28043 1 520 . 1 . 1 164 164 ASP CA C 13 55.10 0.20 . 1 . . . . . 199 ASP CA . 28043 1 521 . 1 . 1 164 164 ASP CB C 13 40.73 0.20 . 1 . . . . . 199 ASP CB . 28043 1 522 . 1 . 1 164 164 ASP N N 15 117.81 0.20 . 1 . . . . . 199 ASP N . 28043 1 523 . 1 . 1 165 165 ASN H H 1 8.04 0.03 . 1 . . . . . 200 ASN H . 28043 1 524 . 1 . 1 165 165 ASN C C 13 175.93 0.20 . 1 . . . . . 200 ASN C . 28043 1 525 . 1 . 1 165 165 ASN CA C 13 53.75 0.20 . 1 . . . . . 200 ASN CA . 28043 1 526 . 1 . 1 165 165 ASN CB C 13 38.69 0.20 . 1 . . . . . 200 ASN CB . 28043 1 527 . 1 . 1 165 165 ASN N N 15 117.67 0.20 . 1 . . . . . 200 ASN N . 28043 1 528 . 1 . 1 166 166 ILE H H 1 7.94 0.03 . 1 . . . . . 201 ILE H . 28043 1 529 . 1 . 1 166 166 ILE C C 13 176.88 0.20 . 1 . . . . . 201 ILE C . 28043 1 530 . 1 . 1 166 166 ILE CA C 13 61.93 0.20 . 1 . . . . . 201 ILE CA . 28043 1 531 . 1 . 1 166 166 ILE CB C 13 37.59 0.20 . 1 . . . . . 201 ILE CB . 28043 1 532 . 1 . 1 166 166 ILE N N 15 120.13 0.20 . 1 . . . . . 201 ILE N . 28043 1 533 . 1 . 1 167 167 LEU H H 1 8.17 0.03 . 1 . . . . . 202 LEU H . 28043 1 534 . 1 . 1 167 167 LEU C C 13 177.67 0.20 . 1 . . . . . 202 LEU C . 28043 1 535 . 1 . 1 167 167 LEU CA C 13 55.56 0.20 . 1 . . . . . 202 LEU CA . 28043 1 536 . 1 . 1 167 167 LEU CB C 13 41.18 0.20 . 1 . . . . . 202 LEU CB . 28043 1 537 . 1 . 1 167 167 LEU N N 15 122.82 0.20 . 1 . . . . . 202 LEU N . 28043 1 538 . 1 . 1 168 168 ASN H H 1 8.15 0.03 . 1 . . . . . 203 ASN H . 28043 1 539 . 1 . 1 168 168 ASN C C 13 174.93 0.20 . 1 . . . . . 203 ASN C . 28043 1 540 . 1 . 1 168 168 ASN CA C 13 53.16 0.20 . 1 . . . . . 203 ASN CA . 28043 1 541 . 1 . 1 168 168 ASN CB C 13 38.69 0.20 . 1 . . . . . 203 ASN CB . 28043 1 542 . 1 . 1 168 168 ASN N N 15 117.85 0.20 . 1 . . . . . 203 ASN N . 28043 1 543 . 1 . 1 169 169 ALA H H 1 7.98 0.03 . 1 . . . . . 204 ALA H . 28043 1 544 . 1 . 1 169 169 ALA C C 13 177.75 0.20 . 1 . . . . . 204 ALA C . 28043 1 545 . 1 . 1 169 169 ALA CA C 13 52.57 0.20 . 1 . . . . . 204 ALA CA . 28043 1 546 . 1 . 1 169 169 ALA CB C 13 18.78 0.20 . 1 . . . . . 204 ALA CB . 28043 1 547 . 1 . 1 169 169 ALA N N 15 123.36 0.20 . 1 . . . . . 204 ALA N . 28043 1 548 . 1 . 1 170 170 VAL H H 1 8.06 0.03 . 1 . . . . . 205 VAL H . 28043 1 549 . 1 . 1 170 170 VAL C C 13 176.45 0.20 . 1 . . . . . 205 VAL C . 28043 1 550 . 1 . 1 170 170 VAL CA C 13 62.04 0.20 . 1 . . . . . 205 VAL CA . 28043 1 551 . 1 . 1 170 170 VAL CB C 13 32.16 0.20 . 1 . . . . . 205 VAL CB . 28043 1 552 . 1 . 1 170 170 VAL N N 15 118.40 0.20 . 1 . . . . . 205 VAL N . 28043 1 553 . 1 . 1 171 171 THR H H 1 8.19 0.03 . 1 . . . . . 206 THR H . 28043 1 554 . 1 . 1 171 171 THR C C 13 173.63 0.20 . 1 . . . . . 206 THR C . 28043 1 555 . 1 . 1 171 171 THR CA C 13 61.50 0.20 . 1 . . . . . 206 THR CA . 28043 1 556 . 1 . 1 171 171 THR CB C 13 69.59 0.20 . 1 . . . . . 206 THR CB . 28043 1 557 . 1 . 1 171 171 THR N N 15 118.15 0.20 . 1 . . . . . 206 THR N . 28043 1 558 . 1 . 1 172 172 ARG H H 1 7.99 0.03 . 1 . . . . . 207 ARG H . 28043 1 559 . 1 . 1 172 172 ARG C C 13 180.92 0.20 . 1 . . . . . 207 ARG C . 28043 1 560 . 1 . 1 172 172 ARG CA C 13 56.98 0.20 . 1 . . . . . 207 ARG CA . 28043 1 561 . 1 . 1 172 172 ARG CB C 13 30.76 0.20 . 1 . . . . . 207 ARG CB . 28043 1 562 . 1 . 1 172 172 ARG N N 15 128.74 0.20 . 1 . . . . . 207 ARG N . 28043 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_lambdaQ_chemshiftlist_N-Terminus _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode lambdaQ_chemshiftlist_N-Terminus _Assigned_chem_shift_list.Entry_ID 28043 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $lambdaQ_N-Terminus_conditions _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 8 '2D 1H-15N HSQC' . . . 28043 2 9 '3D HNCA' . . . 28043 2 10 '3D HNCACB' . . . 28043 2 11 '3D HNCO' . . . 28043 2 12 '3D HCACO' . . . 28043 2 13 '3D HN(CO)CA' . . . 28043 2 14 '3D HN(COCA)CB' . . . 28043 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 $NMRView . . 28043 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA C C 13 177.94 0.20 . 1 . . . . . 37 ALA C . 28043 2 2 . 1 . 1 2 2 ALA CA C 13 52.73 0.20 . 1 . . . . . 37 ALA CA . 28043 2 3 . 1 . 1 2 2 ALA CB C 13 19.44 0.20 . 1 . . . . . 37 ALA CB . 28043 2 4 . 1 . 1 3 3 MET H H 1 8.55 0.03 . 1 . . . . . 38 MET H . 28043 2 5 . 1 . 1 3 3 MET CA C 13 55.76 0.20 . 1 . . . . . 38 MET CA . 28043 2 6 . 1 . 1 3 3 MET CB C 13 32.85 0.20 . 1 . . . . . 38 MET CB . 28043 2 7 . 1 . 1 3 3 MET N N 15 119.75 0.20 . 1 . . . . . 38 MET N . 28043 2 8 . 1 . 1 4 4 GLY C C 13 174.29 0.20 . 1 . . . . . 39 GLY C . 28043 2 9 . 1 . 1 4 4 GLY CA C 13 45.46 0.20 . 1 . . . . . 39 GLY CA . 28043 2 10 . 1 . 1 5 5 MET H H 1 8.23 0.03 . 1 . . . . . 40 MET H . 28043 2 11 . 1 . 1 5 5 MET CA C 13 55.62 0.20 . 1 . . . . . 40 MET CA . 28043 2 12 . 1 . 1 5 5 MET CB C 13 33.07 0.20 . 1 . . . . . 40 MET CB . 28043 2 13 . 1 . 1 5 5 MET N N 15 120.11 0.20 . 1 . . . . . 40 MET N . 28043 2 14 . 1 . 1 8 8 SER H H 1 8.28 0.03 . 1 . . . . . 43 SER H . 28043 2 15 . 1 . 1 8 8 SER C C 13 174.78 0.20 . 1 . . . . . 43 SER C . 28043 2 16 . 1 . 1 8 8 SER CA C 13 58.60 0.20 . 1 . . . . . 43 SER CA . 28043 2 17 . 1 . 1 8 8 SER CB C 13 63.93 0.20 . 1 . . . . . 43 SER CB . 28043 2 18 . 1 . 1 8 8 SER N N 15 116.50 0.20 . 1 . . . . . 43 SER N . 28043 2 19 . 1 . 1 9 9 GLN H H 1 8.44 0.03 . 1 . . . . . 44 GLN H . 28043 2 20 . 1 . 1 9 9 GLN C C 13 175.84 0.20 . 1 . . . . . 44 GLN C . 28043 2 21 . 1 . 1 9 9 GLN CA C 13 55.83 0.20 . 1 . . . . . 44 GLN CA . 28043 2 22 . 1 . 1 9 9 GLN CB C 13 29.43 0.20 . 1 . . . . . 44 GLN CB . 28043 2 23 . 1 . 1 9 9 GLN N N 15 122.01 0.20 . 1 . . . . . 44 GLN N . 28043 2 24 . 1 . 1 10 10 ALA H H 1 8.26 0.03 . 1 . . . . . 45 ALA H . 28043 2 25 . 1 . 1 10 10 ALA C C 13 178.02 0.20 . 1 . . . . . 45 ALA C . 28043 2 26 . 1 . 1 10 10 ALA CA C 13 52.88 0.20 . 1 . . . . . 45 ALA CA . 28043 2 27 . 1 . 1 10 10 ALA CB C 13 19.31 0.20 . 1 . . . . . 45 ALA CB . 28043 2 28 . 1 . 1 10 10 ALA N N 15 124.85 0.20 . 1 . . . . . 45 ALA N . 28043 2 29 . 1 . 1 11 11 GLY H H 1 8.29 0.03 . 1 . . . . . 46 GLY H . 28043 2 30 . 1 . 1 11 11 GLY CA C 13 45.26 0.20 . 1 . . . . . 46 GLY CA . 28043 2 31 . 1 . 1 11 11 GLY N N 15 107.33 0.20 . 1 . . . . . 46 GLY N . 28043 2 32 . 1 . 1 13 13 GLY H H 1 8.35 0.03 . 1 . . . . . 48 GLY H . 28043 2 33 . 1 . 1 13 13 GLY C C 13 176.61 0.20 . 1 . . . . . 48 GLY C . 28043 2 34 . 1 . 1 13 13 GLY CA C 13 45.48 0.20 . 1 . . . . . 48 GLY CA . 28043 2 35 . 1 . 1 13 13 GLY N N 15 110.07 0.20 . 1 . . . . . 48 GLY N . 28043 2 36 . 1 . 1 14 14 MET H H 1 8.38 0.03 . 1 . . . . . 49 MET H . 28043 2 37 . 1 . 1 14 14 MET C C 13 177.91 0.20 . 1 . . . . . 49 MET C . 28043 2 38 . 1 . 1 14 14 MET CA C 13 55.95 0.20 . 1 . . . . . 49 MET CA . 28043 2 39 . 1 . 1 14 14 MET CB C 13 33.10 0.20 . 1 . . . . . 49 MET CB . 28043 2 40 . 1 . 1 14 14 MET N N 15 124.43 0.20 . 1 . . . . . 49 MET N . 28043 2 41 . 1 . 1 15 15 ALA H H 1 8.35 0.03 . 1 . . . . . 50 ALA H . 28043 2 42 . 1 . 1 15 15 ALA C C 13 176.36 0.20 . 1 . . . . . 50 ALA C . 28043 2 43 . 1 . 1 15 15 ALA CA C 13 52.91 0.20 . 1 . . . . . 50 ALA CA . 28043 2 44 . 1 . 1 15 15 ALA CB C 13 19.10 0.20 . 1 . . . . . 50 ALA CB . 28043 2 45 . 1 . 1 15 15 ALA N N 15 119.21 0.20 . 1 . . . . . 50 ALA N . 28043 2 46 . 1 . 1 16 16 ALA H H 1 8.40 0.03 . 1 . . . . . 51 ALA H . 28043 2 47 . 1 . 1 16 16 ALA C C 13 174.18 0.20 . 1 . . . . . 51 ALA C . 28043 2 48 . 1 . 1 16 16 ALA CA C 13 51.67 0.20 . 1 . . . . . 51 ALA CA . 28043 2 49 . 1 . 1 16 16 ALA CB C 13 19.11 0.20 . 1 . . . . . 51 ALA CB . 28043 2 50 . 1 . 1 16 16 ALA N N 15 125.07 0.20 . 1 . . . . . 51 ALA N . 28043 2 51 . 1 . 1 17 17 PHE H H 1 8.11 0.03 . 1 . . . . . 52 PHE H . 28043 2 52 . 1 . 1 17 17 PHE C C 13 177.55 0.20 . 1 . . . . . 52 PHE C . 28043 2 53 . 1 . 1 17 17 PHE CA C 13 58.12 0.20 . 1 . . . . . 52 PHE CA . 28043 2 54 . 1 . 1 17 17 PHE CB C 13 39.62 0.20 . 1 . . . . . 52 PHE CB . 28043 2 55 . 1 . 1 17 17 PHE N N 15 119.99 0.20 . 1 . . . . . 52 PHE N . 28043 2 56 . 1 . 1 18 18 CYS H H 1 8.11 0.03 . 1 . . . . . 53 CYS H . 28043 2 57 . 1 . 1 18 18 CYS CA C 13 58.80 0.20 . 1 . . . . . 53 CYS CA . 28043 2 58 . 1 . 1 18 18 CYS CB C 13 28.57 0.20 . 1 . . . . . 53 CYS CB . 28043 2 59 . 1 . 1 18 18 CYS N N 15 117.27 0.20 . 1 . . . . . 53 CYS N . 28043 2 60 . 1 . 1 19 19 GLY C C 13 173.98 0.20 . 1 . . . . . 54 GLY C . 28043 2 61 . 1 . 1 19 19 GLY CA C 13 45.48 0.20 . 1 . . . . . 54 GLY CA . 28043 2 62 . 1 . 1 20 20 LYS H H 1 8.15 0.03 . 1 . . . . . 55 LYS H . 28043 2 63 . 1 . 1 20 20 LYS CA C 13 56.51 0.20 . 1 . . . . . 55 LYS CA . 28043 2 64 . 1 . 1 20 20 LYS CB C 13 33.08 0.20 . 1 . . . . . 55 LYS CB . 28043 2 65 . 1 . 1 20 20 LYS N N 15 120.56 0.20 . 1 . . . . . 55 LYS N . 28043 2 66 . 1 . 1 21 21 HIS C C 13 176.43 0.20 . 1 . . . . . 56 HIS C . 28043 2 67 . 1 . 1 21 21 HIS CA C 13 54.91 0.20 . 1 . . . . . 56 HIS CA . 28043 2 68 . 1 . 1 22 22 GLU H H 1 8.63 0.03 . 1 . . . . . 57 GLU H . 28043 2 69 . 1 . 1 22 22 GLU C C 13 176.22 0.20 . 1 . . . . . 57 GLU C . 28043 2 70 . 1 . 1 22 22 GLU CA C 13 56.65 0.20 . 1 . . . . . 57 GLU CA . 28043 2 71 . 1 . 1 22 22 GLU CB C 13 30.47 0.20 . 1 . . . . . 57 GLU CB . 28043 2 72 . 1 . 1 22 22 GLU N N 15 121.84 0.20 . 1 . . . . . 57 GLU N . 28043 2 73 . 1 . 1 23 23 LEU H H 1 8.33 0.03 . 1 . . . . . 58 LEU H . 28043 2 74 . 1 . 1 23 23 LEU C C 13 178.39 0.20 . 1 . . . . . 58 LEU C . 28043 2 75 . 1 . 1 23 23 LEU CA C 13 55.09 0.20 . 1 . . . . . 58 LEU CA . 28043 2 76 . 1 . 1 23 23 LEU CB C 13 42.98 0.20 . 1 . . . . . 58 LEU CB . 28043 2 77 . 1 . 1 23 23 LEU N N 15 123.76 0.20 . 1 . . . . . 58 LEU N . 28043 2 78 . 1 . 1 24 24 SER H H 1 8.80 0.03 . 1 . . . . . 59 SER H . 28043 2 79 . 1 . 1 24 24 SER CA C 13 57.99 0.20 . 1 . . . . . 59 SER CA . 28043 2 80 . 1 . 1 24 24 SER N N 15 118.14 0.20 . 1 . . . . . 59 SER N . 28043 2 stop_ save_