################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ParA _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 $chem_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 TROSY' . . . 52940 1 2 '3D HNCA' . . . 52940 1 3 '3D HNCACB' . . . 52940 1 4 '3D HNCO' . . . 52940 1 5 '3D HN(CO)CACB' . . . 52940 1 6 '3D HN(CO)CA' . . . 52940 1 7 '3D HN(CA)CO' . . . 52940 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 $software_1 . . 52940 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 8 8 VAL H H 1 8.134 0.020 . 1 . . . . . 17 VAL H . 52940 1 2 . 1 . 1 8 8 VAL C C 13 176.422 0.3 . 1 . . . . . 17 VAL C . 52940 1 3 . 1 . 1 8 8 VAL CA C 13 61.891 0.3 . 1 . . . . . 17 VAL CA . 52940 1 4 . 1 . 1 8 8 VAL CB C 13 31.651 0.3 . 1 . . . . . 17 VAL CB . 52940 1 5 . 1 . 1 8 8 VAL N N 15 122.495 0.3 . 1 . . . . . 17 VAL N . 52940 1 6 . 1 . 1 9 9 GLY H H 1 8.449 0.020 . 1 . . . . . 18 GLY H . 52940 1 7 . 1 . 1 9 9 GLY C C 13 174.314 0.3 . 1 . . . . . 18 GLY C . 52940 1 8 . 1 . 1 9 9 GLY CA C 13 44.722 0.3 . 1 . . . . . 18 GLY CA . 52940 1 9 . 1 . 1 9 9 GLY N N 15 113.017 0.3 . 1 . . . . . 18 GLY N . 52940 1 10 . 1 . 1 10 10 THR H H 1 8.120 0.020 . 1 . . . . . 19 THR H . 52940 1 11 . 1 . 1 10 10 THR C C 13 175.276 0.3 . 1 . . . . . 19 THR C . 52940 1 12 . 1 . 1 10 10 THR CA C 13 61.361 0.3 . 1 . . . . . 19 THR CA . 52940 1 13 . 1 . 1 10 10 THR CB C 13 69.093 0.3 . 1 . . . . . 19 THR CB . 52940 1 14 . 1 . 1 10 10 THR N N 15 113.245 0.3 . 1 . . . . . 19 THR N . 52940 1 15 . 1 . 1 11 11 GLY H H 1 8.379 0.020 . 1 . . . . . 20 GLY H . 52940 1 16 . 1 . 1 11 11 GLY C C 13 173.306 0.3 . 1 . . . . . 20 GLY C . 52940 1 17 . 1 . 1 11 11 GLY CA C 13 44.770 0.3 . 1 . . . . . 20 GLY CA . 52940 1 18 . 1 . 1 11 11 GLY N N 15 111.660 0.3 . 1 . . . . . 20 GLY N . 52940 1 19 . 1 . 1 12 12 VAL H H 1 7.713 0.020 . 1 . . . . . 21 VAL H . 52940 1 20 . 1 . 1 12 12 VAL C C 13 176.051 0.3 . 1 . . . . . 21 VAL C . 52940 1 21 . 1 . 1 12 12 VAL CA C 13 60.257 0.3 . 1 . . . . . 21 VAL CA . 52940 1 22 . 1 . 1 12 12 VAL CB C 13 33.092 0.3 . 1 . . . . . 21 VAL CB . 52940 1 23 . 1 . 1 12 12 VAL N N 15 117.263 0.3 . 1 . . . . . 21 VAL N . 52940 1 24 . 1 . 1 13 13 GLY H H 1 8.444 0.020 . 1 . . . . . 22 GLY H . 52940 1 25 . 1 . 1 13 13 GLY CA C 13 44.337 0.3 . 1 . . . . . 22 GLY CA . 52940 1 26 . 1 . 1 13 13 GLY N N 15 112.604 0.3 . 1 . . . . . 22 GLY N . 52940 1 27 . 1 . 1 14 14 ARG H H 1 7.157 0.020 . 1 . . . . . 23 ARG H . 52940 1 28 . 1 . 1 14 14 ARG C C 13 174.799 0.3 . 1 . . . . . 23 ARG C . 52940 1 29 . 1 . 1 14 14 ARG CA C 13 54.553 0.3 . 1 . . . . . 23 ARG CA . 52940 1 30 . 1 . 1 14 14 ARG CB C 13 32.187 0.3 . 1 . . . . . 23 ARG CB . 52940 1 31 . 1 . 1 14 14 ARG N N 15 117.885 0.3 . 1 . . . . . 23 ARG N . 52940 1 32 . 1 . 1 15 15 ILE H H 1 9.679 0.020 . 1 . . . . . 24 ILE H . 52940 1 33 . 1 . 1 15 15 ILE CA C 13 60.081 0.3 . 1 . . . . . 24 ILE CA . 52940 1 34 . 1 . 1 15 15 ILE CB C 13 37.115 0.3 . 1 . . . . . 24 ILE CB . 52940 1 35 . 1 . 1 15 15 ILE N N 15 124.648 0.3 . 1 . . . . . 24 ILE N . 52940 1 36 . 1 . 1 20 20 ASN H H 1 8.842 0.020 . 1 . . . . . 29 ASN H . 52940 1 37 . 1 . 1 20 20 ASN CA C 13 52.995 0.3 . 1 . . . . . 29 ASN CA . 52940 1 38 . 1 . 1 20 20 ASN N N 15 127.835 0.3 . 1 . . . . . 29 ASN N . 52940 1 39 . 1 . 1 21 21 GLN H H 1 6.970 0.020 . 1 . . . . . 30 GLN H . 52940 1 40 . 1 . 1 21 21 GLN C C 13 171.846 0.3 . 1 . . . . . 30 GLN C . 52940 1 41 . 1 . 1 21 21 GLN CA C 13 57.619 0.3 . 1 . . . . . 30 GLN CA . 52940 1 42 . 1 . 1 21 21 GLN CB C 13 28.758 0.3 . 1 . . . . . 30 GLN CB . 52940 1 43 . 1 . 1 21 21 GLN N N 15 120.167 0.3 . 1 . . . . . 30 GLN N . 52940 1 44 . 1 . 1 22 22 LYS H H 1 8.458 0.020 . 1 . . . . . 31 LYS H . 52940 1 45 . 1 . 1 22 22 LYS CA C 13 57.711 0.3 . 1 . . . . . 31 LYS CA . 52940 1 46 . 1 . 1 22 22 LYS N N 15 115.672 0.3 . 1 . . . . . 31 LYS N . 52940 1 47 . 1 . 1 54 54 GLY H H 1 7.681 0.020 . 1 . . . . . 63 GLY H . 52940 1 48 . 1 . 1 54 54 GLY CA C 13 46.090 0.3 . 1 . . . . . 63 GLY CA . 52940 1 49 . 1 . 1 54 54 GLY N N 15 109.773 0.3 . 1 . . . . . 63 GLY N . 52940 1 50 . 1 . 1 55 55 ASN H H 1 6.732 0.020 . 1 . . . . . 64 ASN H . 52940 1 51 . 1 . 1 55 55 ASN C C 13 174.779 0.3 . 1 . . . . . 64 ASN C . 52940 1 52 . 1 . 1 55 55 ASN CA C 13 50.724 0.3 . 1 . . . . . 64 ASN CA . 52940 1 53 . 1 . 1 55 55 ASN CB C 13 35.088 0.3 . 1 . . . . . 64 ASN CB . 52940 1 54 . 1 . 1 55 55 ASN N N 15 115.075 0.3 . 1 . . . . . 64 ASN N . 52940 1 55 . 1 . 1 59 59 GLY H H 1 8.696 0.020 . 1 . . . . . 68 GLY H . 52940 1 56 . 1 . 1 59 59 GLY CA C 13 45.874 0.3 . 1 . . . . . 68 GLY CA . 52940 1 57 . 1 . 1 59 59 GLY N N 15 110.253 0.3 . 1 . . . . . 68 GLY N . 52940 1 58 . 1 . 1 60 60 LEU H H 1 7.173 0.020 . 1 . . . . . 69 LEU H . 52940 1 59 . 1 . 1 60 60 LEU CA C 13 53.095 0.3 . 1 . . . . . 69 LEU CA . 52940 1 60 . 1 . 1 60 60 LEU N N 15 118.570 0.3 . 1 . . . . . 69 LEU N . 52940 1 61 . 1 . 1 61 61 GLY H H 1 7.904 0.020 . 1 . . . . . 70 GLY H . 52940 1 62 . 1 . 1 61 61 GLY CA C 13 45.442 0.3 . 1 . . . . . 70 GLY CA . 52940 1 63 . 1 . 1 61 61 GLY N N 15 106.807 0.3 . 1 . . . . . 70 GLY N . 52940 1 64 . 1 . 1 62 62 ILE H H 1 8.202 0.020 . 1 . . . . . 71 ILE H . 52940 1 65 . 1 . 1 62 62 ILE C C 13 174.150 0.3 . 1 . . . . . 71 ILE C . 52940 1 66 . 1 . 1 62 62 ILE CA C 13 60.031 0.3 . 1 . . . . . 71 ILE CA . 52940 1 67 . 1 . 1 62 62 ILE CB C 13 35.937 0.3 . 1 . . . . . 71 ILE CB . 52940 1 68 . 1 . 1 62 62 ILE N N 15 123.741 0.3 . 1 . . . . . 71 ILE N . 52940 1 69 . 1 . 1 63 63 LYS H H 1 8.339 0.020 . 1 . . . . . 72 LYS H . 52940 1 70 . 1 . 1 63 63 LYS CA C 13 54.402 0.3 . 1 . . . . . 72 LYS CA . 52940 1 71 . 1 . 1 63 63 LYS N N 15 126.991 0.3 . 1 . . . . . 72 LYS N . 52940 1 72 . 1 . 1 64 64 GLN H H 1 8.023 0.020 . 1 . . . . . 73 GLN H . 52940 1 73 . 1 . 1 64 64 GLN CA C 13 54.734 0.3 . 1 . . . . . 73 GLN CA . 52940 1 74 . 1 . 1 64 64 GLN CB C 13 29.816 0.3 . 1 . . . . . 73 GLN CB . 52940 1 75 . 1 . 1 64 64 GLN N N 15 120.052 0.3 . 1 . . . . . 73 GLN N . 52940 1 76 . 1 . 1 101 101 ASP H H 1 8.193 0.020 . 1 . . . . . 110 ASP H . 52940 1 77 . 1 . 1 101 101 ASP CA C 13 55.454 0.3 . 1 . . . . . 110 ASP CA . 52940 1 78 . 1 . 1 101 101 ASP CB C 13 38.928 0.3 . 1 . . . . . 110 ASP CB . 52940 1 79 . 1 . 1 101 101 ASP N N 15 119.066 0.3 . 1 . . . . . 110 ASP N . 52940 1 80 . 1 . 1 102 102 LEU H H 1 8.485 0.020 . 1 . . . . . 111 LEU H . 52940 1 81 . 1 . 1 102 102 LEU C C 13 177.753 0.3 . 1 . . . . . 111 LEU C . 52940 1 82 . 1 . 1 102 102 LEU CA C 13 56.664 0.3 . 1 . . . . . 111 LEU CA . 52940 1 83 . 1 . 1 102 102 LEU CB C 13 40.651 0.3 . 1 . . . . . 111 LEU CB . 52940 1 84 . 1 . 1 102 102 LEU N N 15 121.534 0.3 . 1 . . . . . 111 LEU N . 52940 1 85 . 1 . 1 103 103 THR H H 1 7.836 0.020 . 1 . . . . . 112 THR H . 52940 1 86 . 1 . 1 103 103 THR CA C 13 66.620 0.3 . 1 . . . . . 112 THR CA . 52940 1 87 . 1 . 1 103 103 THR N N 15 118.808 0.3 . 1 . . . . . 112 THR N . 52940 1 88 . 1 . 1 104 104 GLY H H 1 7.561 0.020 . 1 . . . . . 113 GLY H . 52940 1 89 . 1 . 1 104 104 GLY C C 13 177.028 0.3 . 1 . . . . . 113 GLY C . 52940 1 90 . 1 . 1 104 104 GLY CA C 13 46.114 0.3 . 1 . . . . . 113 GLY CA . 52940 1 91 . 1 . 1 104 104 GLY N N 15 110.621 0.3 . 1 . . . . . 113 GLY N . 52940 1 92 . 1 . 1 105 105 ALA H H 1 8.193 0.020 . 1 . . . . . 114 ALA H . 52940 1 93 . 1 . 1 105 105 ALA C C 13 178.082 0.3 . 1 . . . . . 114 ALA C . 52940 1 94 . 1 . 1 105 105 ALA CA C 13 54.100 0.3 . 1 . . . . . 114 ALA CA . 52940 1 95 . 1 . 1 105 105 ALA N N 15 124.134 0.3 . 1 . . . . . 114 ALA N . 52940 1 96 . 1 . 1 108 108 GLU H H 1 9.336 0.020 . 1 . . . . . 117 GLU H . 52940 1 97 . 1 . 1 108 108 GLU C C 13 180.253 0.3 . 1 . . . . . 117 GLU C . 52940 1 98 . 1 . 1 108 108 GLU CA C 13 58.048 0.3 . 1 . . . . . 117 GLU CA . 52940 1 99 . 1 . 1 108 108 GLU CB C 13 27.769 0.3 . 1 . . . . . 117 GLU CB . 52940 1 100 . 1 . 1 108 108 GLU N N 15 113.561 0.3 . 1 . . . . . 117 GLU N . 52940 1 101 . 1 . 1 109 109 LEU H H 1 9.276 0.020 . 1 . . . . . 118 LEU H . 52940 1 102 . 1 . 1 109 109 LEU C C 13 178.077 0.3 . 1 . . . . . 118 LEU C . 52940 1 103 . 1 . 1 109 109 LEU CA C 13 58.724 0.3 . 1 . . . . . 118 LEU CA . 52940 1 104 . 1 . 1 109 109 LEU CB C 13 38.829 0.3 . 1 . . . . . 118 LEU CB . 52940 1 105 . 1 . 1 109 109 LEU N N 15 122.157 0.3 . 1 . . . . . 118 LEU N . 52940 1 106 . 1 . 1 110 110 VAL H H 1 7.734 0.020 . 1 . . . . . 119 VAL H . 52940 1 107 . 1 . 1 110 110 VAL C C 13 172.547 0.3 . 1 . . . . . 119 VAL C . 52940 1 108 . 1 . 1 110 110 VAL CA C 13 61.145 0.3 . 1 . . . . . 119 VAL CA . 52940 1 109 . 1 . 1 110 110 VAL CB C 13 31.352 0.3 . 1 . . . . . 119 VAL CB . 52940 1 110 . 1 . 1 110 110 VAL N N 15 118.849 0.3 . 1 . . . . . 119 VAL N . 52940 1 111 . 1 . 1 111 111 ASN H H 1 7.651 0.020 . 1 . . . . . 120 ASN H . 52940 1 112 . 1 . 1 111 111 ASN C C 13 176.032 0.3 . 1 . . . . . 120 ASN C . 52940 1 113 . 1 . 1 111 111 ASN CA C 13 58.875 0.3 . 1 . . . . . 120 ASN CA . 52940 1 114 . 1 . 1 111 111 ASN CB C 13 39.258 0.3 . 1 . . . . . 120 ASN CB . 52940 1 115 . 1 . 1 111 111 ASN N N 15 124.757 0.3 . 1 . . . . . 120 ASN N . 52940 1 116 . 1 . 1 112 112 GLN H H 1 8.451 0.020 . 1 . . . . . 121 GLN H . 52940 1 117 . 1 . 1 112 112 GLN C C 13 174.507 0.3 . 1 . . . . . 121 GLN C . 52940 1 118 . 1 . 1 112 112 GLN CA C 13 58.775 0.3 . 1 . . . . . 121 GLN CA . 52940 1 119 . 1 . 1 112 112 GLN CB C 13 31.758 0.3 . 1 . . . . . 121 GLN CB . 52940 1 120 . 1 . 1 112 112 GLN N N 15 126.950 0.3 . 1 . . . . . 121 GLN N . 52940 1 121 . 1 . 1 140 140 SER H H 1 8.311 0.020 . 1 . . . . . 149 SER H . 52940 1 122 . 1 . 1 140 140 SER CA C 13 56.583 0.3 . 1 . . . . . 149 SER CA . 52940 1 123 . 1 . 1 140 140 SER CB C 13 63.188 0.3 . 1 . . . . . 149 SER CB . 52940 1 124 . 1 . 1 140 140 SER N N 15 116.462 0.3 . 1 . . . . . 149 SER N . 52940 1 125 . 1 . 1 141 141 LEU H H 1 8.924 0.020 . 1 . . . . . 150 LEU H . 52940 1 126 . 1 . 1 141 141 LEU CA C 13 53.196 0.3 . 1 . . . . . 150 LEU CA . 52940 1 127 . 1 . 1 141 141 LEU CB C 13 40.008 0.3 . 1 . . . . . 150 LEU CB . 52940 1 128 . 1 . 1 141 141 LEU N N 15 125.704 0.3 . 1 . . . . . 150 LEU N . 52940 1 129 . 1 . 1 142 142 GLY H H 1 7.912 0.020 . 1 . . . . . 151 GLY H . 52940 1 130 . 1 . 1 142 142 GLY CA C 13 43.521 0.3 . 1 . . . . . 151 GLY CA . 52940 1 131 . 1 . 1 142 142 GLY N N 15 106.444 0.3 . 1 . . . . . 151 GLY N . 52940 1 132 . 1 . 1 143 143 LEU H H 1 8.630 0.020 . 1 . . . . . 152 LEU H . 52940 1 133 . 1 . 1 143 143 LEU CA C 13 58.024 0.3 . 1 . . . . . 152 LEU CA . 52940 1 134 . 1 . 1 143 143 LEU CB C 13 41.640 0.3 . 1 . . . . . 152 LEU CB . 52940 1 135 . 1 . 1 143 143 LEU N N 15 117.621 0.3 . 1 . . . . . 152 LEU N . 52940 1 136 . 1 . 1 167 167 GLU H H 1 8.178 0.020 . 1 . . . . . 176 GLU H . 52940 1 137 . 1 . 1 167 167 GLU C C 13 174.572 0.3 . 1 . . . . . 176 GLU C . 52940 1 138 . 1 . 1 167 167 GLU CA C 13 53.849 0.3 . 1 . . . . . 176 GLU CA . 52940 1 139 . 1 . 1 167 167 GLU CB C 13 29.830 0.3 . 1 . . . . . 176 GLU CB . 52940 1 140 . 1 . 1 167 167 GLU N N 15 122.739 0.3 . 1 . . . . . 176 GLU N . 52940 1 141 . 1 . 1 168 168 GLY H H 1 8.631 0.020 . 1 . . . . . 177 GLY H . 52940 1 142 . 1 . 1 168 168 GLY CA C 13 43.929 0.3 . 1 . . . . . 177 GLY CA . 52940 1 143 . 1 . 1 168 168 GLY N N 15 116.846 0.3 . 1 . . . . . 177 GLY N . 52940 1 144 . 1 . 1 169 169 LEU H H 1 9.949 0.020 . 1 . . . . . 178 LEU H . 52940 1 145 . 1 . 1 169 169 LEU CA C 13 48.683 0.3 . 1 . . . . . 178 LEU CA . 52940 1 146 . 1 . 1 169 169 LEU N N 15 114.708 0.3 . 1 . . . . . 178 LEU N . 52940 1 147 . 1 . 1 170 170 SER H H 1 7.300 0.020 . 1 . . . . . 179 SER H . 52940 1 148 . 1 . 1 170 170 SER CA C 13 57.399 0.3 . 1 . . . . . 179 SER CA . 52940 1 149 . 1 . 1 170 170 SER CB C 13 64.826 0.3 . 1 . . . . . 179 SER CB . 52940 1 150 . 1 . 1 170 170 SER N N 15 114.166 0.3 . 1 . . . . . 179 SER N . 52940 1 151 . 1 . 1 171 171 GLN H H 1 8.027 0.020 . 1 . . . . . 180 GLN H . 52940 1 152 . 1 . 1 171 171 GLN CA C 13 54.603 0.3 . 1 . . . . . 180 GLN CA . 52940 1 153 . 1 . 1 171 171 GLN N N 15 122.238 0.3 . 1 . . . . . 180 GLN N . 52940 1 154 . 1 . 1 172 172 LEU H H 1 7.250 0.020 . 1 . . . . . 181 LEU H . 52940 1 155 . 1 . 1 172 172 LEU CA C 13 57.870 0.3 . 1 . . . . . 181 LEU CA . 52940 1 156 . 1 . 1 172 172 LEU N N 15 119.639 0.3 . 1 . . . . . 181 LEU N . 52940 1 157 . 1 . 1 173 173 THR H H 1 9.051 0.020 . 1 . . . . . 182 THR H . 52940 1 158 . 1 . 1 173 173 THR CA C 13 65.635 0.3 . 1 . . . . . 182 THR CA . 52940 1 159 . 1 . 1 173 173 THR CB C 13 67.129 0.3 . 1 . . . . . 182 THR CB . 52940 1 160 . 1 . 1 173 173 THR N N 15 111.653 0.3 . 1 . . . . . 182 THR N . 52940 1 161 . 1 . 1 174 174 HIS H H 1 8.129 0.020 . 1 . . . . . 183 HIS H . 52940 1 162 . 1 . 1 174 174 HIS C C 13 176.779 0.3 . 1 . . . . . 183 HIS C . 52940 1 163 . 1 . 1 174 174 HIS CA C 13 58.624 0.3 . 1 . . . . . 183 HIS CA . 52940 1 164 . 1 . 1 174 174 HIS CB C 13 27.901 0.3 . 1 . . . . . 183 HIS CB . 52940 1 165 . 1 . 1 174 174 HIS N N 15 121.954 0.3 . 1 . . . . . 183 HIS N . 52940 1 166 . 1 . 1 175 175 THR H H 1 7.846 0.020 . 1 . . . . . 184 THR H . 52940 1 167 . 1 . 1 175 175 THR CA C 13 67.508 0.3 . 1 . . . . . 184 THR CA . 52940 1 168 . 1 . 1 175 175 THR N N 15 117.784 0.3 . 1 . . . . . 184 THR N . 52940 1 169 . 1 . 1 181 181 GLN H H 1 7.587 0.020 . 1 . . . . . 190 GLN H . 52940 1 170 . 1 . 1 181 181 GLN C C 13 177.291 0.3 . 1 . . . . . 190 GLN C . 52940 1 171 . 1 . 1 181 181 GLN CA C 13 56.631 0.3 . 1 . . . . . 190 GLN CA . 52940 1 172 . 1 . 1 181 181 GLN N N 15 115.008 0.3 . 1 . . . . . 190 GLN N . 52940 1 173 . 1 . 1 182 182 GLY H H 1 7.468 0.020 . 1 . . . . . 191 GLY H . 52940 1 174 . 1 . 1 182 182 GLY CA C 13 46.306 0.3 . 1 . . . . . 191 GLY CA . 52940 1 175 . 1 . 1 182 182 GLY N N 15 104.271 0.3 . 1 . . . . . 191 GLY N . 52940 1 176 . 1 . 1 183 183 LEU H H 1 8.719 0.020 . 1 . . . . . 192 LEU H . 52940 1 177 . 1 . 1 183 183 LEU CA C 13 56.965 0.3 . 1 . . . . . 192 LEU CA . 52940 1 178 . 1 . 1 183 183 LEU N N 15 122.753 0.3 . 1 . . . . . 192 LEU N . 52940 1 179 . 1 . 1 184 184 ASN H H 1 8.297 0.020 . 1 . . . . . 193 ASN H . 52940 1 180 . 1 . 1 184 184 ASN CA C 13 49.812 0.3 . 1 . . . . . 193 ASN CA . 52940 1 181 . 1 . 1 184 184 ASN N N 15 111.595 0.3 . 1 . . . . . 193 ASN N . 52940 1 182 . 1 . 1 186 186 ASP H H 1 7.389 0.020 . 1 . . . . . 195 ASP H . 52940 1 183 . 1 . 1 186 186 ASP CA C 13 53.894 0.3 . 1 . . . . . 195 ASP CA . 52940 1 184 . 1 . 1 186 186 ASP CB C 13 40.923 0.3 . 1 . . . . . 195 ASP CB . 52940 1 185 . 1 . 1 186 186 ASP N N 15 115.008 0.3 . 1 . . . . . 195 ASP N . 52940 1 186 . 1 . 1 187 187 LEU H H 1 7.067 0.020 . 1 . . . . . 196 LEU H . 52940 1 187 . 1 . 1 187 187 LEU C C 13 175.870 0.3 . 1 . . . . . 196 LEU C . 52940 1 188 . 1 . 1 187 187 LEU CA C 13 56.111 0.3 . 1 . . . . . 196 LEU CA . 52940 1 189 . 1 . 1 187 187 LEU CB C 13 41.294 0.3 . 1 . . . . . 196 LEU CB . 52940 1 190 . 1 . 1 187 187 LEU N N 15 122.078 0.3 . 1 . . . . . 196 LEU N . 52940 1 191 . 1 . 1 188 188 LYS H H 1 8.071 0.020 . 1 . . . . . 197 LYS H . 52940 1 192 . 1 . 1 188 188 LYS C C 13 175.546 0.3 . 1 . . . . . 197 LYS C . 52940 1 193 . 1 . 1 188 188 LYS CA C 13 53.447 0.3 . 1 . . . . . 197 LYS CA . 52940 1 194 . 1 . 1 188 188 LYS CB C 13 34.544 0.3 . 1 . . . . . 197 LYS CB . 52940 1 195 . 1 . 1 188 188 LYS N N 15 126.192 0.3 . 1 . . . . . 197 LYS N . 52940 1 196 . 1 . 1 189 189 MET H H 1 8.715 0.020 . 1 . . . . . 198 MET H . 52940 1 197 . 1 . 1 189 189 MET C C 13 175.935 0.3 . 1 . . . . . 198 MET C . 52940 1 198 . 1 . 1 189 189 MET CA C 13 54.352 0.3 . 1 . . . . . 198 MET CA . 52940 1 199 . 1 . 1 189 189 MET CB C 13 31.544 0.3 . 1 . . . . . 198 MET CB . 52940 1 200 . 1 . 1 189 189 MET N N 15 120.870 0.3 . 1 . . . . . 198 MET N . 52940 1 201 . 1 . 1 192 192 ILE H H 1 8.149 0.020 . 1 . . . . . 201 ILE H . 52940 1 202 . 1 . 1 192 192 ILE C C 13 176.392 0.3 . 1 . . . . . 201 ILE C . 52940 1 203 . 1 . 1 192 192 ILE CA C 13 59.227 0.3 . 1 . . . . . 201 ILE CA . 52940 1 204 . 1 . 1 192 192 ILE CB C 13 39.687 0.3 . 1 . . . . . 201 ILE CB . 52940 1 205 . 1 . 1 192 192 ILE N N 15 120.640 0.3 . 1 . . . . . 201 ILE N . 52940 1 206 . 1 . 1 196 196 MET H H 1 6.877 0.020 . 1 . . . . . 205 MET H . 52940 1 207 . 1 . 1 196 196 MET C C 13 174.997 0.3 . 1 . . . . . 205 MET C . 52940 1 208 . 1 . 1 196 196 MET CA C 13 56.511 0.3 . 1 . . . . . 205 MET CA . 52940 1 209 . 1 . 1 196 196 MET CB C 13 26.745 0.3 . 1 . . . . . 205 MET CB . 52940 1 210 . 1 . 1 196 196 MET N N 15 112.548 0.3 . 1 . . . . . 205 MET N . 52940 1 211 . 1 . 1 197 197 PHE H H 1 8.015 0.020 . 1 . . . . . 206 PHE H . 52940 1 212 . 1 . 1 197 197 PHE CA C 13 59.464 0.3 . 1 . . . . . 206 PHE CA . 52940 1 213 . 1 . 1 197 197 PHE CB C 13 39.746 0.3 . 1 . . . . . 206 PHE CB . 52940 1 214 . 1 . 1 197 197 PHE N N 15 118.995 0.3 . 1 . . . . . 206 PHE N . 52940 1 215 . 1 . 1 198 198 ASP H H 1 7.171 0.020 . 1 . . . . . 207 ASP H . 52940 1 216 . 1 . 1 198 198 ASP CA C 13 51.336 0.3 . 1 . . . . . 207 ASP CA . 52940 1 217 . 1 . 1 198 198 ASP CB C 13 41.294 0.3 . 1 . . . . . 207 ASP CB . 52940 1 218 . 1 . 1 198 198 ASP N N 15 132.062 0.3 . 1 . . . . . 207 ASP N . 52940 1 219 . 1 . 1 199 199 SER H H 1 8.289 0.020 . 1 . . . . . 208 SER H . 52940 1 220 . 1 . 1 199 199 SER CA C 13 59.464 0.3 . 1 . . . . . 208 SER CA . 52940 1 221 . 1 . 1 199 199 SER CB C 13 62.293 0.3 . 1 . . . . . 208 SER CB . 52940 1 222 . 1 . 1 199 199 SER N N 15 118.337 0.3 . 1 . . . . . 208 SER N . 52940 1 223 . 1 . 1 200 200 ARG H H 1 8.096 0.020 . 1 . . . . . 209 ARG H . 52940 1 224 . 1 . 1 200 200 ARG C C 13 175.973 0.3 . 1 . . . . . 209 ARG C . 52940 1 225 . 1 . 1 200 200 ARG CA C 13 56.223 0.3 . 1 . . . . . 209 ARG CA . 52940 1 226 . 1 . 1 200 200 ARG CB C 13 29.407 0.3 . 1 . . . . . 209 ARG CB . 52940 1 227 . 1 . 1 200 200 ARG N N 15 120.276 0.3 . 1 . . . . . 209 ARG N . 52940 1 228 . 1 . 1 201 201 ALA H H 1 7.602 0.020 . 1 . . . . . 210 ALA H . 52940 1 229 . 1 . 1 201 201 ALA C C 13 177.331 0.3 . 1 . . . . . 210 ALA C . 52940 1 230 . 1 . 1 201 201 ALA CA C 13 50.130 0.3 . 1 . . . . . 210 ALA CA . 52940 1 231 . 1 . 1 201 201 ALA CB C 13 18.688 0.3 . 1 . . . . . 210 ALA CB . 52940 1 232 . 1 . 1 201 201 ALA N N 15 123.213 0.3 . 1 . . . . . 210 ALA N . 52940 1 233 . 1 . 1 206 206 GLN H H 1 8.358 0.020 . 1 . . . . . 215 GLN H . 52940 1 234 . 1 . 1 206 206 GLN C C 13 174.150 0.3 . 1 . . . . . 215 GLN C . 52940 1 235 . 1 . 1 206 206 GLN CA C 13 54.854 0.3 . 1 . . . . . 215 GLN CA . 52940 1 236 . 1 . 1 206 206 GLN N N 15 125.596 0.3 . 1 . . . . . 215 GLN N . 52940 1 237 . 1 . 1 207 207 VAL H H 1 8.379 0.020 . 1 . . . . . 216 VAL H . 52940 1 238 . 1 . 1 207 207 VAL CA C 13 62.466 0.3 . 1 . . . . . 216 VAL CA . 52940 1 239 . 1 . 1 207 207 VAL CB C 13 33.757 0.3 . 1 . . . . . 216 VAL CB . 52940 1 240 . 1 . 1 207 207 VAL N N 15 119.757 0.3 . 1 . . . . . 216 VAL N . 52940 1 241 . 1 . 1 208 208 VAL H H 1 8.846 0.020 . 1 . . . . . 217 VAL H . 52940 1 242 . 1 . 1 208 208 VAL CA C 13 63.398 0.3 . 1 . . . . . 217 VAL CA . 52940 1 243 . 1 . 1 208 208 VAL CB C 13 35.937 0.3 . 1 . . . . . 217 VAL CB . 52940 1 244 . 1 . 1 208 208 VAL N N 15 125.149 0.3 . 1 . . . . . 217 VAL N . 52940 1 245 . 1 . 1 213 213 GLY H H 1 7.481 0.020 . 1 . . . . . 222 GLY H . 52940 1 246 . 1 . 1 213 213 GLY CA C 13 45.226 0.3 . 1 . . . . . 222 GLY CA . 52940 1 247 . 1 . 1 213 213 GLY N N 15 103.614 0.3 . 1 . . . . . 222 GLY N . 52940 1 248 . 1 . 1 214 214 TYR H H 1 7.646 0.020 . 1 . . . . . 223 TYR H . 52940 1 249 . 1 . 1 214 214 TYR C C 13 178.629 0.3 . 1 . . . . . 223 TYR C . 52940 1 250 . 1 . 1 214 214 TYR CA C 13 57.669 0.3 . 1 . . . . . 223 TYR CA . 52940 1 251 . 1 . 1 214 214 TYR CB C 13 40.758 0.3 . 1 . . . . . 223 TYR CB . 52940 1 252 . 1 . 1 214 214 TYR N N 15 123.958 0.3 . 1 . . . . . 223 TYR N . 52940 1 253 . 1 . 1 215 215 PHE H H 1 8.058 0.020 . 1 . . . . . 224 PHE H . 52940 1 254 . 1 . 1 215 215 PHE CA C 13 60.737 0.3 . 1 . . . . . 224 PHE CA . 52940 1 255 . 1 . 1 215 215 PHE N N 15 113.632 0.3 . 1 . . . . . 224 PHE N . 52940 1 256 . 1 . 1 222 222 VAL H H 1 7.568 0.020 . 1 . . . . . 231 VAL H . 52940 1 257 . 1 . 1 222 222 VAL C C 13 176.283 0.3 . 1 . . . . . 231 VAL C . 52940 1 258 . 1 . 1 222 222 VAL CA C 13 60.016 0.3 . 1 . . . . . 231 VAL CA . 52940 1 259 . 1 . 1 222 222 VAL CB C 13 30.533 0.3 . 1 . . . . . 231 VAL CB . 52940 1 260 . 1 . 1 222 222 VAL N N 15 120.523 0.3 . 1 . . . . . 231 VAL N . 52940 1 261 . 1 . 1 223 223 ILE H H 1 8.436 0.020 . 1 . . . . . 232 ILE H . 52940 1 262 . 1 . 1 223 223 ILE C C 13 176.941 0.3 . 1 . . . . . 232 ILE C . 52940 1 263 . 1 . 1 223 223 ILE CA C 13 59.729 0.3 . 1 . . . . . 232 ILE CA . 52940 1 264 . 1 . 1 223 223 ILE CB C 13 37.972 0.3 . 1 . . . . . 232 ILE CB . 52940 1 265 . 1 . 1 223 223 ILE N N 15 126.016 0.3 . 1 . . . . . 232 ILE N . 52940 1 266 . 1 . 1 242 242 LEU H H 1 6.867 0.020 . 1 . . . . . 251 LEU H . 52940 1 267 . 1 . 1 242 242 LEU CA C 13 53.698 0.3 . 1 . . . . . 251 LEU CA . 52940 1 268 . 1 . 1 242 242 LEU CB C 13 41.615 0.3 . 1 . . . . . 251 LEU CB . 52940 1 269 . 1 . 1 242 242 LEU N N 15 116.174 0.3 . 1 . . . . . 251 LEU N . 52940 1 270 . 1 . 1 243 243 TYR H H 1 7.714 0.020 . 1 . . . . . 252 TYR H . 52940 1 271 . 1 . 1 243 243 TYR CA C 13 59.200 0.3 . 1 . . . . . 252 TYR CA . 52940 1 272 . 1 . 1 243 243 TYR CB C 13 41.384 0.3 . 1 . . . . . 252 TYR CB . 52940 1 273 . 1 . 1 243 243 TYR N N 15 120.910 0.3 . 1 . . . . . 252 TYR N . 52940 1 274 . 1 . 1 244 244 ASP H H 1 8.657 0.020 . 1 . . . . . 253 ASP H . 52940 1 275 . 1 . 1 244 244 ASP CA C 13 53.341 0.3 . 1 . . . . . 253 ASP CA . 52940 1 276 . 1 . 1 244 244 ASP CB C 13 39.643 0.3 . 1 . . . . . 253 ASP CB . 52940 1 277 . 1 . 1 244 244 ASP N N 15 115.668 0.3 . 1 . . . . . 253 ASP N . 52940 1 278 . 1 . 1 245 245 ILE H H 1 8.627 0.020 . 1 . . . . . 254 ILE H . 52940 1 279 . 1 . 1 245 245 ILE C C 13 175.448 0.3 . 1 . . . . . 254 ILE C . 52940 1 280 . 1 . 1 245 245 ILE CA C 13 62.192 0.3 . 1 . . . . . 254 ILE CA . 52940 1 281 . 1 . 1 245 245 ILE CB C 13 37.544 0.3 . 1 . . . . . 254 ILE CB . 52940 1 282 . 1 . 1 245 245 ILE N N 15 128.770 0.3 . 1 . . . . . 254 ILE N . 52940 1 283 . 1 . 1 246 246 LYS H H 1 7.585 0.020 . 1 . . . . . 255 LYS H . 52940 1 284 . 1 . 1 246 246 LYS C C 13 177.074 0.3 . 1 . . . . . 255 LYS C . 52940 1 285 . 1 . 1 246 246 LYS CA C 13 54.974 0.3 . 1 . . . . . 255 LYS CA . 52940 1 286 . 1 . 1 246 246 LYS CB C 13 30.789 0.3 . 1 . . . . . 255 LYS CB . 52940 1 287 . 1 . 1 246 246 LYS N N 15 118.096 0.3 . 1 . . . . . 255 LYS N . 52940 1 288 . 1 . 1 249 249 GLY H H 1 8.025 0.020 . 1 . . . . . 258 GLY H . 52940 1 289 . 1 . 1 249 249 GLY CA C 13 46.642 0.3 . 1 . . . . . 258 GLY CA . 52940 1 290 . 1 . 1 249 249 GLY N N 15 104.663 0.3 . 1 . . . . . 258 GLY N . 52940 1 291 . 1 . 1 250 250 CYS H H 1 7.247 0.020 . 1 . . . . . 259 CYS H . 52940 1 292 . 1 . 1 250 250 CYS C C 13 176.130 0.3 . 1 . . . . . 259 CYS C . 52940 1 293 . 1 . 1 250 250 CYS CA C 13 61.589 0.3 . 1 . . . . . 259 CYS CA . 52940 1 294 . 1 . 1 250 250 CYS CB C 13 25.330 0.3 . 1 . . . . . 259 CYS CB . 52940 1 295 . 1 . 1 250 250 CYS N N 15 120.994 0.3 . 1 . . . . . 259 CYS N . 52940 1 296 . 1 . 1 251 251 GLU H H 1 7.932 0.020 . 1 . . . . . 260 GLU H . 52940 1 297 . 1 . 1 251 251 GLU CA C 13 59.272 0.3 . 1 . . . . . 260 GLU CA . 52940 1 298 . 1 . 1 251 251 GLU N N 15 119.086 0.3 . 1 . . . . . 260 GLU N . 52940 1 299 . 1 . 1 252 252 SER H H 1 7.346 0.020 . 1 . . . . . 261 SER H . 52940 1 300 . 1 . 1 252 252 SER CA C 13 57.468 0.3 . 1 . . . . . 261 SER CA . 52940 1 301 . 1 . 1 252 252 SER CB C 13 66.471 0.3 . 1 . . . . . 261 SER CB . 52940 1 302 . 1 . 1 252 252 SER N N 15 116.887 0.3 . 1 . . . . . 261 SER N . 52940 1 303 . 1 . 1 253 253 TYR H H 1 7.603 0.020 . 1 . . . . . 262 TYR H . 52940 1 304 . 1 . 1 253 253 TYR CA C 13 56.679 0.3 . 1 . . . . . 262 TYR CA . 52940 1 305 . 1 . 1 253 253 TYR CB C 13 40.309 0.3 . 1 . . . . . 262 TYR CB . 52940 1 306 . 1 . 1 253 253 TYR N N 15 116.471 0.3 . 1 . . . . . 262 TYR N . 52940 1 307 . 1 . 1 262 262 LYS H H 1 7.761 0.020 . 1 . . . . . 271 LYS H . 52940 1 308 . 1 . 1 262 262 LYS C C 13 178.098 0.3 . 1 . . . . . 271 LYS C . 52940 1 309 . 1 . 1 262 262 LYS CA C 13 57.856 0.3 . 1 . . . . . 271 LYS CA . 52940 1 310 . 1 . 1 262 262 LYS CB C 13 31.300 0.3 . 1 . . . . . 271 LYS CB . 52940 1 311 . 1 . 1 262 262 LYS N N 15 119.879 0.3 . 1 . . . . . 271 LYS N . 52940 1 312 . 1 . 1 263 263 ARG H H 1 7.566 0.020 . 1 . . . . . 272 ARG H . 52940 1 313 . 1 . 1 263 263 ARG C C 13 176.516 0.3 . 1 . . . . . 272 ARG C . 52940 1 314 . 1 . 1 263 263 ARG CA C 13 57.111 0.3 . 1 . . . . . 272 ARG CA . 52940 1 315 . 1 . 1 263 263 ARG CB C 13 29.202 0.3 . 1 . . . . . 272 ARG CB . 52940 1 316 . 1 . 1 263 263 ARG N N 15 118.739 0.3 . 1 . . . . . 272 ARG N . 52940 1 317 . 1 . 1 264 264 ASP H H 1 7.680 0.020 . 1 . . . . . 273 ASP H . 52940 1 318 . 1 . 1 264 264 ASP CA C 13 54.110 0.3 . 1 . . . . . 273 ASP CA . 52940 1 319 . 1 . 1 264 264 ASP CB C 13 40.821 0.3 . 1 . . . . . 273 ASP CB . 52940 1 320 . 1 . 1 264 264 ASP N N 15 119.937 0.3 . 1 . . . . . 273 ASP N . 52940 1 321 . 1 . 1 265 265 THR H H 1 7.504 0.020 . 1 . . . . . 274 THR H . 52940 1 322 . 1 . 1 265 265 THR C C 13 179.183 0.3 . 1 . . . . . 274 THR C . 52940 1 323 . 1 . 1 265 265 THR CA C 13 63.450 0.3 . 1 . . . . . 274 THR CA . 52940 1 324 . 1 . 1 265 265 THR CB C 13 70.200 0.3 . 1 . . . . . 274 THR CB . 52940 1 325 . 1 . 1 265 265 THR N N 15 119.537 0.3 . 1 . . . . . 274 THR N . 52940 1 stop_ save_