################################### # 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 51591 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '(P3-7)2 backbone' _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 '3D HNCO' . . . 51591 1 2 '3D HN(CA)CO' . . . 51591 1 3 '3D HN(CO)CA' . . . 51591 1 4 '3D HNCA' . . . 51591 1 5 '3D HN(CO)CACB' . . . 51591 1 6 '2D CACO' . . . 51591 1 7 '2D CON' . . . 51591 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 . . 51591 1 2 $software_2 . . 51591 1 3 $software_3 . . 51591 1 4 $software_4 . . 51591 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 4 4 GLY H H 1 8.721 0.010 . 1 . . . . . 4 GLY H . 51591 1 2 . 1 . 1 4 4 GLY HA2 H 1 3.941 0.001 . 2 . . . . . 4 GLY HA2 . 51591 1 3 . 1 . 1 4 4 GLY HA3 H 1 4.008 0.001 . 2 . . . . . 4 GLY HA3 . 51591 1 4 . 1 . 1 4 4 GLY C C 13 174.125 0.000 . 1 . . . . . 4 GLY C . 51591 1 5 . 1 . 1 4 4 GLY CA C 13 45.093 0.000 . 1 . . . . . 4 GLY CA . 51591 1 6 . 1 . 1 4 4 GLY N N 15 109.891 0.000 . 1 . . . . . 4 GLY N . 51591 1 7 . 1 . 1 5 5 ALA H H 1 8.341 0.009 . 1 . . . . . 5 ALA H . 51591 1 8 . 1 . 1 5 5 ALA HA H 1 4.313 0.000 . 1 . . . . . 5 ALA HA . 51591 1 9 . 1 . 1 5 5 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB1 . 51591 1 10 . 1 . 1 5 5 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB2 . 51591 1 11 . 1 . 1 5 5 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 5 ALA HB3 . 51591 1 12 . 1 . 1 5 5 ALA C C 13 178.465 0.000 . 1 . . . . . 5 ALA C . 51591 1 13 . 1 . 1 5 5 ALA CA C 13 53.057 0.000 . 1 . . . . . 5 ALA CA . 51591 1 14 . 1 . 1 5 5 ALA N N 15 124.176 0.052 . 1 . . . . . 5 ALA N . 51591 1 15 . 1 . 1 6 6 SER H H 1 8.602 0.008 . 1 . . . . . 6 SER H . 51591 1 16 . 1 . 1 6 6 SER HA H 1 4.404 0.003 . 1 . . . . . 6 SER HA . 51591 1 17 . 1 . 1 6 6 SER HB2 H 1 4.071 0.006 . 2 . . . . . 6 SER HB2 . 51591 1 18 . 1 . 1 6 6 SER HB3 H 1 3.957 0.002 . 2 . . . . . 6 SER HB3 . 51591 1 19 . 1 . 1 6 6 SER C C 13 175.332 0.000 . 1 . . . . . 6 SER C . 51591 1 20 . 1 . 1 6 6 SER CA C 13 58.694 0.000 . 1 . . . . . 6 SER CA . 51591 1 21 . 1 . 1 6 6 SER N N 15 116.071 0.000 . 1 . . . . . 6 SER N . 51591 1 22 . 1 . 1 7 7 LEU H H 1 8.483 0.002 . 1 . . . . . 7 LEU H . 51591 1 23 . 1 . 1 7 7 LEU HA H 1 4.250 0.001 . 1 . . . . . 7 LEU HA . 51591 1 24 . 1 . 1 7 7 LEU HB2 H 1 1.676 0.000 . 1 . . . . . 7 LEU HB2 . 51591 1 25 . 1 . 1 7 7 LEU HD11 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD11 . 51591 1 26 . 1 . 1 7 7 LEU HD12 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD12 . 51591 1 27 . 1 . 1 7 7 LEU HD13 H 1 0.913 0.000 . 2 . . . . . 7 LEU HD13 . 51591 1 28 . 1 . 1 7 7 LEU HD21 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD21 . 51591 1 29 . 1 . 1 7 7 LEU HD22 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD22 . 51591 1 30 . 1 . 1 7 7 LEU HD23 H 1 0.978 0.000 . 2 . . . . . 7 LEU HD23 . 51591 1 31 . 1 . 1 7 7 LEU C C 13 178.638 0.004 . 1 . . . . . 7 LEU C . 51591 1 32 . 1 . 1 7 7 LEU CA C 13 57.219 0.003 . 1 . . . . . 7 LEU CA . 51591 1 33 . 1 . 1 7 7 LEU N N 15 124.653 0.044 . 1 . . . . . 7 LEU N . 51591 1 34 . 1 . 1 8 8 ALA H H 1 8.365 0.001 . 1 . . . . . 8 ALA H . 51591 1 35 . 1 . 1 8 8 ALA HA H 1 4.190 0.000 . 1 . . . . . 8 ALA HA . 51591 1 36 . 1 . 1 8 8 ALA HB1 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB1 . 51591 1 37 . 1 . 1 8 8 ALA HB2 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB2 . 51591 1 38 . 1 . 1 8 8 ALA HB3 H 1 1.432 0.000 . 1 . . . . . 8 ALA HB3 . 51591 1 39 . 1 . 1 8 8 ALA C C 13 180.237 0.005 . 1 . . . . . 8 ALA C . 51591 1 40 . 1 . 1 8 8 ALA CA C 13 54.549 0.000 . 1 . . . . . 8 ALA CA . 51591 1 41 . 1 . 1 8 8 ALA N N 15 122.048 0.020 . 1 . . . . . 8 ALA N . 51591 1 42 . 1 . 1 9 9 ALA H H 1 8.156 0.002 . 1 . . . . . 9 ALA H . 51591 1 43 . 1 . 1 9 9 ALA HA H 1 4.218 0.000 . 1 . . . . . 9 ALA HA . 51591 1 44 . 1 . 1 9 9 ALA HB1 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB1 . 51591 1 45 . 1 . 1 9 9 ALA HB2 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB2 . 51591 1 46 . 1 . 1 9 9 ALA HB3 H 1 1.503 0.000 . 1 . . . . . 9 ALA HB3 . 51591 1 47 . 1 . 1 9 9 ALA C C 13 180.441 0.001 . 1 . . . . . 9 ALA C . 51591 1 48 . 1 . 1 9 9 ALA CA C 13 54.529 0.000 . 1 . . . . . 9 ALA CA . 51591 1 49 . 1 . 1 9 9 ALA N N 15 122.308 0.019 . 1 . . . . . 9 ALA N . 51591 1 50 . 1 . 1 10 10 LEU H H 1 8.137 0.001 . 1 . . . . . 10 LEU H . 51591 1 51 . 1 . 1 10 10 LEU HA H 1 4.207 0.002 . 1 . . . . . 10 LEU HA . 51591 1 52 . 1 . 1 10 10 LEU HB2 H 1 1.720 0.000 . 2 . . . . . 10 LEU HB2 . 51591 1 53 . 1 . 1 10 10 LEU HB3 H 1 1.827 0.000 . 2 . . . . . 10 LEU HB3 . 51591 1 54 . 1 . 1 10 10 LEU HD11 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD11 . 51591 1 55 . 1 . 1 10 10 LEU HD12 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD12 . 51591 1 56 . 1 . 1 10 10 LEU HD13 H 1 0.920 0.000 . 1 . . . . . 10 LEU HD13 . 51591 1 57 . 1 . 1 10 10 LEU C C 13 179.506 0.001 . 1 . . . . . 10 LEU C . 51591 1 58 . 1 . 1 10 10 LEU CA C 13 57.567 0.003 . 1 . . . . . 10 LEU CA . 51591 1 59 . 1 . 1 10 10 LEU N N 15 121.276 0.035 . 1 . . . . . 10 LEU N . 51591 1 60 . 1 . 1 11 11 GLN H H 1 8.500 0.002 . 1 . . . . . 11 GLN H . 51591 1 61 . 1 . 1 11 11 GLN HA H 1 4.120 0.001 . 1 . . . . . 11 GLN HA . 51591 1 62 . 1 . 1 11 11 GLN HB2 H 1 2.090 0.000 . 2 . . . . . 11 GLN HB2 . 51591 1 63 . 1 . 1 11 11 GLN HB3 H 1 2.187 0.000 . 2 . . . . . 11 GLN HB3 . 51591 1 64 . 1 . 1 11 11 GLN HG2 H 1 2.427 0.000 . 2 . . . . . 11 GLN HG2 . 51591 1 65 . 1 . 1 11 11 GLN HG3 H 1 2.557 0.000 . 2 . . . . . 11 GLN HG3 . 51591 1 66 . 1 . 1 11 11 GLN HE21 H 1 7.585 0.000 . 1 . . . . . 11 GLN HE21 . 51591 1 67 . 1 . 1 11 11 GLN C C 13 178.808 0.000 . 1 . . . . . 11 GLN C . 51591 1 68 . 1 . 1 11 11 GLN CA C 13 58.484 0.006 . 1 . . . . . 11 GLN CA . 51591 1 69 . 1 . 1 11 11 GLN N N 15 119.672 0.023 . 1 . . . . . 11 GLN N . 51591 1 70 . 1 . 1 11 11 GLN NE2 N 15 111.688 0.000 . 1 . . . . . 11 GLN NE2 . 51591 1 71 . 1 . 1 12 12 ALA H H 1 8.133 0.002 . 1 . . . . . 12 ALA H . 51591 1 72 . 1 . 1 12 12 ALA HA H 1 4.247 0.000 . 1 . . . . . 12 ALA HA . 51591 1 73 . 1 . 1 12 12 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB1 . 51591 1 74 . 1 . 1 12 12 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB2 . 51591 1 75 . 1 . 1 12 12 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 12 ALA HB3 . 51591 1 76 . 1 . 1 12 12 ALA C C 13 180.189 0.001 . 1 . . . . . 12 ALA C . 51591 1 77 . 1 . 1 12 12 ALA CA C 13 54.636 0.002 . 1 . . . . . 12 ALA CA . 51591 1 78 . 1 . 1 12 12 ALA N N 15 123.184 0.028 . 1 . . . . . 12 ALA N . 51591 1 79 . 1 . 1 13 13 LEU H H 1 7.942 0.002 . 1 . . . . . 13 LEU H . 51591 1 80 . 1 . 1 13 13 LEU HA H 1 4.241 0.007 . 1 . . . . . 13 LEU HA . 51591 1 81 . 1 . 1 13 13 LEU HB2 H 1 1.695 0.000 . 2 . . . . . 13 LEU HB2 . 51591 1 82 . 1 . 1 13 13 LEU HB3 H 1 1.797 0.000 . 2 . . . . . 13 LEU HB3 . 51591 1 83 . 1 . 1 13 13 LEU HD11 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD11 . 51591 1 84 . 1 . 1 13 13 LEU HD12 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD12 . 51591 1 85 . 1 . 1 13 13 LEU HD13 H 1 0.938 0.000 . 1 . . . . . 13 LEU HD13 . 51591 1 86 . 1 . 1 13 13 LEU C C 13 179.305 0.002 . 1 . . . . . 13 LEU C . 51591 1 87 . 1 . 1 13 13 LEU CA C 13 57.583 0.001 . 1 . . . . . 13 LEU CA . 51591 1 88 . 1 . 1 13 13 LEU N N 15 120.992 0.034 . 1 . . . . . 13 LEU N . 51591 1 89 . 1 . 1 14 14 GLN H H 1 8.327 0.003 . 1 . . . . . 14 GLN H . 51591 1 90 . 1 . 1 14 14 GLN HA H 1 4.117 0.003 . 1 . . . . . 14 GLN HA . 51591 1 91 . 1 . 1 14 14 GLN HB2 H 1 2.116 0.000 . 2 . . . . . 14 GLN HB2 . 51591 1 92 . 1 . 1 14 14 GLN HB3 H 1 2.202 0.000 . 2 . . . . . 14 GLN HB3 . 51591 1 93 . 1 . 1 14 14 GLN HG2 H 1 2.434 0.000 . 2 . . . . . 14 GLN HG2 . 51591 1 94 . 1 . 1 14 14 GLN HG3 H 1 2.568 0.000 . 2 . . . . . 14 GLN HG3 . 51591 1 95 . 1 . 1 14 14 GLN HE21 H 1 7.594 0.000 . 1 . . . . . 14 GLN HE21 . 51591 1 96 . 1 . 1 14 14 GLN C C 13 178.655 0.002 . 1 . . . . . 14 GLN C . 51591 1 97 . 1 . 1 14 14 GLN CA C 13 58.406 0.003 . 1 . . . . . 14 GLN CA . 51591 1 98 . 1 . 1 14 14 GLN N N 15 119.483 0.026 . 1 . . . . . 14 GLN N . 51591 1 99 . 1 . 1 14 14 GLN NE2 N 15 111.616 0.000 . 1 . . . . . 14 GLN NE2 . 51591 1 100 . 1 . 1 15 15 ALA H H 1 8.120 0.002 . 1 . . . . . 15 ALA H . 51591 1 101 . 1 . 1 15 15 ALA HA H 1 4.253 0.000 . 1 . . . . . 15 ALA HA . 51591 1 102 . 1 . 1 15 15 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB1 . 51591 1 103 . 1 . 1 15 15 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB2 . 51591 1 104 . 1 . 1 15 15 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 15 ALA HB3 . 51591 1 105 . 1 . 1 15 15 ALA C C 13 180.197 0.001 . 1 . . . . . 15 ALA C . 51591 1 106 . 1 . 1 15 15 ALA CA C 13 54.523 0.000 . 1 . . . . . 15 ALA CA . 51591 1 107 . 1 . 1 15 15 ALA N N 15 122.845 0.026 . 1 . . . . . 15 ALA N . 51591 1 108 . 1 . 1 16 16 LEU H H 1 7.937 0.003 . 1 . . . . . 16 LEU H . 51591 1 109 . 1 . 1 16 16 LEU HA H 1 4.240 0.001 . 1 . . . . . 16 LEU HA . 51591 1 110 . 1 . 1 16 16 LEU HB2 H 1 1.824 0.000 . 1 . . . . . 16 LEU HB2 . 51591 1 111 . 1 . 1 16 16 LEU HD11 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD11 . 51591 1 112 . 1 . 1 16 16 LEU HD12 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD12 . 51591 1 113 . 1 . 1 16 16 LEU HD13 H 1 0.948 0.000 . 1 . . . . . 16 LEU HD13 . 51591 1 114 . 1 . 1 16 16 LEU C C 13 179.257 0.001 . 1 . . . . . 16 LEU C . 51591 1 115 . 1 . 1 16 16 LEU CA C 13 57.411 0.010 . 1 . . . . . 16 LEU CA . 51591 1 116 . 1 . 1 16 16 LEU N N 15 121.307 0.033 . 1 . . . . . 16 LEU N . 51591 1 117 . 1 . 1 17 17 GLN H H 1 8.295 0.002 . 1 . . . . . 17 GLN H . 51591 1 118 . 1 . 1 17 17 GLN HA H 1 4.118 0.003 . 1 . . . . . 17 GLN HA . 51591 1 119 . 1 . 1 17 17 GLN HB2 H 1 2.107 0.000 . 2 . . . . . 17 GLN HB2 . 51591 1 120 . 1 . 1 17 17 GLN HB3 H 1 2.183 0.000 . 2 . . . . . 17 GLN HB3 . 51591 1 121 . 1 . 1 17 17 GLN HG2 H 1 2.418 0.000 . 2 . . . . . 17 GLN HG2 . 51591 1 122 . 1 . 1 17 17 GLN HG3 H 1 2.559 0.000 . 2 . . . . . 17 GLN HG3 . 51591 1 123 . 1 . 1 17 17 GLN HE21 H 1 7.606 0.000 . 1 . . . . . 17 GLN HE21 . 51591 1 124 . 1 . 1 17 17 GLN C C 13 178.462 0.001 . 1 . . . . . 17 GLN C . 51591 1 125 . 1 . 1 17 17 GLN CA C 13 58.008 0.006 . 1 . . . . . 17 GLN CA . 51591 1 126 . 1 . 1 17 17 GLN N N 15 119.253 0.026 . 1 . . . . . 17 GLN N . 51591 1 127 . 1 . 1 17 17 GLN NE2 N 15 111.769 0.000 . 1 . . . . . 17 GLN NE2 . 51591 1 128 . 1 . 1 18 18 ALA H H 1 8.223 0.001 . 1 . . . . . 18 ALA H . 51591 1 129 . 1 . 1 18 18 ALA HA H 1 4.226 0.001 . 1 . . . . . 18 ALA HA . 51591 1 130 . 1 . 1 18 18 ALA HB1 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB1 . 51591 1 131 . 1 . 1 18 18 ALA HB2 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB2 . 51591 1 132 . 1 . 1 18 18 ALA HB3 H 1 1.488 0.000 . 1 . . . . . 18 ALA HB3 . 51591 1 133 . 1 . 1 18 18 ALA C C 13 179.488 0.000 . 1 . . . . . 18 ALA C . 51591 1 134 . 1 . 1 18 18 ALA CA C 13 54.145 0.000 . 1 . . . . . 18 ALA CA . 51591 1 135 . 1 . 1 18 18 ALA N N 15 123.039 0.027 . 1 . . . . . 18 ALA N . 51591 1 136 . 1 . 1 19 19 ALA H H 1 7.993 0.003 . 1 . . . . . 19 ALA H . 51591 1 137 . 1 . 1 19 19 ALA HA H 1 4.244 0.002 . 1 . . . . . 19 ALA HA . 51591 1 138 . 1 . 1 19 19 ALA HB1 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB1 . 51591 1 139 . 1 . 1 19 19 ALA HB2 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB2 . 51591 1 140 . 1 . 1 19 19 ALA HB3 H 1 1.514 0.000 . 1 . . . . . 19 ALA HB3 . 51591 1 141 . 1 . 1 19 19 ALA C C 13 179.555 0.006 . 1 . . . . . 19 ALA C . 51591 1 142 . 1 . 1 19 19 ALA CA C 13 53.889 0.000 . 1 . . . . . 19 ALA CA . 51591 1 143 . 1 . 1 19 19 ALA N N 15 121.686 0.031 . 1 . . . . . 19 ALA N . 51591 1 144 . 1 . 1 20 20 GLN H H 1 8.117 0.002 . 1 . . . . . 20 GLN H . 51591 1 145 . 1 . 1 20 20 GLN HA H 1 4.173 0.007 . 1 . . . . . 20 GLN HA . 51591 1 146 . 1 . 1 20 20 GLN HB2 H 1 2.130 0.000 . 1 . . . . . 20 GLN HB2 . 51591 1 147 . 1 . 1 20 20 GLN HG2 H 1 2.447 0.000 . 2 . . . . . 20 GLN HG2 . 51591 1 148 . 1 . 1 20 20 GLN HG3 H 1 2.527 0.000 . 2 . . . . . 20 GLN HG3 . 51591 1 149 . 1 . 1 20 20 GLN HE21 H 1 7.597 0.000 . 1 . . . . . 20 GLN HE21 . 51591 1 150 . 1 . 1 20 20 GLN C C 13 177.155 0.001 . 1 . . . . . 20 GLN C . 51591 1 151 . 1 . 1 20 20 GLN CA C 13 56.964 0.001 . 1 . . . . . 20 GLN CA . 51591 1 152 . 1 . 1 20 20 GLN N N 15 118.027 0.026 . 1 . . . . . 20 GLN N . 51591 1 153 . 1 . 1 20 20 GLN NE2 N 15 112.428 0.000 . 1 . . . . . 20 GLN NE2 . 51591 1 154 . 1 . 1 21 21 ALA H H 1 8.021 0.004 . 1 . . . . . 21 ALA H . 51591 1 155 . 1 . 1 21 21 ALA HA H 1 4.248 0.000 . 1 . . . . . 21 ALA HA . 51591 1 156 . 1 . 1 21 21 ALA HB1 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB1 . 51591 1 157 . 1 . 1 21 21 ALA HB2 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB2 . 51591 1 158 . 1 . 1 21 21 ALA HB3 H 1 1.460 0.000 . 1 . . . . . 21 ALA HB3 . 51591 1 159 . 1 . 1 21 21 ALA C C 13 177.950 0.000 . 1 . . . . . 21 ALA C . 51591 1 160 . 1 . 1 21 21 ALA CA C 13 53.120 0.000 . 1 . . . . . 21 ALA CA . 51591 1 161 . 1 . 1 21 21 ALA N N 15 123.092 0.032 . 1 . . . . . 21 ALA N . 51591 1 162 . 1 . 1 22 22 ALA H H 1 7.904 0.005 . 1 . . . . . 22 ALA H . 51591 1 163 . 1 . 1 22 22 ALA HA H 1 4.253 0.003 . 1 . . . . . 22 ALA HA . 51591 1 164 . 1 . 1 22 22 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB1 . 51591 1 165 . 1 . 1 22 22 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB2 . 51591 1 166 . 1 . 1 22 22 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 22 ALA HB3 . 51591 1 167 . 1 . 1 22 22 ALA C C 13 177.718 0.001 . 1 . . . . . 22 ALA C . 51591 1 168 . 1 . 1 22 22 ALA CA C 13 52.510 0.016 . 1 . . . . . 22 ALA CA . 51591 1 169 . 1 . 1 22 22 ALA N N 15 121.527 0.025 . 1 . . . . . 22 ALA N . 51591 1 170 . 1 . 1 23 23 LYS H H 1 7.996 0.002 . 1 . . . . . 23 LYS H . 51591 1 171 . 1 . 1 23 23 LYS HA H 1 4.196 0.001 . 1 . . . . . 23 LYS HA . 51591 1 172 . 1 . 1 23 23 LYS HB2 H 1 1.661 0.000 . 2 . . . . . 23 LYS HB2 . 51591 1 173 . 1 . 1 23 23 LYS HB3 H 1 1.744 0.000 . 2 . . . . . 23 LYS HB3 . 51591 1 174 . 1 . 1 23 23 LYS HG2 H 1 1.334 0.000 . 2 . . . . . 23 LYS HG2 . 51591 1 175 . 1 . 1 23 23 LYS HG3 H 1 1.416 0.000 . 2 . . . . . 23 LYS HG3 . 51591 1 176 . 1 . 1 23 23 LYS HE2 H 1 2.935 0.000 . 1 . . . . . 23 LYS HE2 . 51591 1 177 . 1 . 1 23 23 LYS C C 13 176.129 0.002 . 1 . . . . . 23 LYS C . 51591 1 178 . 1 . 1 23 23 LYS CA C 13 56.383 0.000 . 1 . . . . . 23 LYS CA . 51591 1 179 . 1 . 1 23 23 LYS N N 15 120.447 0.017 . 1 . . . . . 23 LYS N . 51591 1 180 . 1 . 1 24 24 LYS H H 1 8.291 0.001 . 1 . . . . . 24 LYS H . 51591 1 181 . 1 . 1 24 24 LYS HA H 1 4.293 0.002 . 1 . . . . . 24 LYS HA . 51591 1 182 . 1 . 1 24 24 LYS HB2 H 1 1.680 0.000 . 2 . . . . . 24 LYS HB2 . 51591 1 183 . 1 . 1 24 24 LYS HB3 H 1 1.788 0.000 . 2 . . . . . 24 LYS HB3 . 51591 1 184 . 1 . 1 24 24 LYS HG2 H 1 1.358 0.000 . 2 . . . . . 24 LYS HG2 . 51591 1 185 . 1 . 1 24 24 LYS HG3 H 1 1.431 0.000 . 2 . . . . . 24 LYS HG3 . 51591 1 186 . 1 . 1 24 24 LYS HE2 H 1 2.985 0.000 . 1 . . . . . 24 LYS HE2 . 51591 1 187 . 1 . 1 24 24 LYS C C 13 175.222 0.001 . 1 . . . . . 24 LYS C . 51591 1 188 . 1 . 1 24 24 LYS CA C 13 56.040 0.024 . 1 . . . . . 24 LYS CA . 51591 1 189 . 1 . 1 24 24 LYS N N 15 123.322 0.015 . 1 . . . . . 24 LYS N . 51591 1 190 . 1 . 1 25 25 TYR H H 1 7.843 0.001 . 1 . . . . . 25 TYR H . 51591 1 191 . 1 . 1 25 25 TYR HA H 1 4.380 0.000 . 1 . . . . . 25 TYR HA . 51591 1 192 . 1 . 1 25 25 TYR HB2 H 1 2.866 0.000 . 2 . . . . . 25 TYR HB2 . 51591 1 193 . 1 . 1 25 25 TYR HB3 H 1 3.098 0.000 . 2 . . . . . 25 TYR HB3 . 51591 1 194 . 1 . 1 25 25 TYR C C 13 180.480 0.000 . 1 . . . . . 25 TYR C . 51591 1 195 . 1 . 1 25 25 TYR CA C 13 59.137 0.000 . 1 . . . . . 25 TYR CA . 51591 1 196 . 1 . 1 25 25 TYR N N 15 126.225 0.000 . 1 . . . . . 25 TYR N . 51591 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51591 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '(P3-7)2 side chains' _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 8 '3D [H]C,NH HSQC-NOESY-HSQC' . . . 51591 2 9 '3D [H]CC[CA]NH TOCSY' . . . 51591 2 10 '3D [H]CC[CO]NH TOCSY' . . . 51591 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 $software_1 . . 51591 2 2 $software_2 . . 51591 2 3 $software_3 . . 51591 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 1 1 LYS HA H 1 3.50 0.02 . 1 . . . . . 1 LYS HA . 51591 2 2 . 1 . 1 1 1 LYS HB2 H 1 1.49 0.02 . 1 . . . . . 1 LYS HB2 . 51591 2 3 . 1 . 1 1 1 LYS HB3 H 1 1.46 0.02 . 1 . . . . . 1 LYS HB3 . 51591 2 4 . 1 . 1 1 1 LYS HG2 H 1 1.22 0.02 . 1 . . . . . 1 LYS HG2 . 51591 2 5 . 1 . 1 1 1 LYS HG3 H 1 1.18 0.02 . 1 . . . . . 1 LYS HG3 . 51591 2 6 . 1 . 1 1 1 LYS HD2 H 1 1.40 0.02 . 1 . . . . . 1 LYS HD2 . 51591 2 7 . 1 . 1 1 1 LYS HD3 H 1 1.37 0.02 . 1 . . . . . 1 LYS HD3 . 51591 2 8 . 1 . 1 1 1 LYS HE2 H 1 2.68 0.02 . 1 . . . . . 1 LYS HE2 . 51591 2 9 . 1 . 1 1 1 LYS HE3 H 1 2.68 0.02 . 1 . . . . . 1 LYS HE3 . 51591 2 10 . 1 . 1 1 1 LYS CA C 13 55.55 0.05 . 1 . . . . . 1 LYS CA . 51591 2 11 . 1 . 1 1 1 LYS CB C 13 34.14 0.05 . 1 . . . . . 1 LYS CB . 51591 2 12 . 1 . 1 1 1 LYS CG C 13 24.36 0.05 . 1 . . . . . 1 LYS CG . 51591 2 13 . 1 . 1 1 1 LYS CD C 13 28.96 0.05 . 1 . . . . . 1 LYS CD . 51591 2 14 . 1 . 1 1 1 LYS CE C 13 41.61 0.05 . 1 . . . . . 1 LYS CE . 51591 2 15 . 1 . 1 2 2 LYS HA H 1 4.31 0.02 . 1 . . . . . 2 LYS HA . 51591 2 16 . 1 . 1 2 2 LYS HB2 H 1 1.54 0.02 . 1 . . . . . 2 LYS HB2 . 51591 2 17 . 1 . 1 2 2 LYS HB3 H 1 1.44 0.02 . 1 . . . . . 2 LYS HB3 . 51591 2 18 . 1 . 1 2 2 LYS HG2 H 1 1.11 0.02 . 1 . . . . . 2 LYS HG2 . 51591 2 19 . 1 . 1 2 2 LYS HG3 H 1 1.11 0.02 . 1 . . . . . 2 LYS HG3 . 51591 2 20 . 1 . 1 2 2 LYS HD2 H 1 1.38 0.02 . 1 . . . . . 2 LYS HD2 . 51591 2 21 . 1 . 1 2 2 LYS HD3 H 1 1.38 0.02 . 1 . . . . . 2 LYS HD3 . 51591 2 22 . 1 . 1 2 2 LYS HE2 H 1 2.68 0.02 . 1 . . . . . 2 LYS HE2 . 51591 2 23 . 1 . 1 2 2 LYS HE3 H 1 2.68 0.02 . 1 . . . . . 2 LYS HE3 . 51591 2 24 . 1 . 1 2 2 LYS CA C 13 54.19 0.05 . 1 . . . . . 2 LYS CA . 51591 2 25 . 1 . 1 2 2 LYS CB C 13 32.05 0.05 . 1 . . . . . 2 LYS CB . 51591 2 26 . 1 . 1 2 2 LYS CG C 13 23.80 0.05 . 1 . . . . . 2 LYS CG . 51591 2 27 . 1 . 1 2 2 LYS CD C 13 28.94 0.05 . 1 . . . . . 2 LYS CD . 51591 2 28 . 1 . 1 2 2 LYS CE C 13 41.61 0.05 . 1 . . . . . 2 LYS CE . 51591 2 29 . 1 . 1 3 3 PRO HA H 1 4.13 0.02 . 1 . . . . . 3 PRO HA . 51591 2 30 . 1 . 1 3 3 PRO HB2 H 1 2.03 0.02 . 1 . . . . . 3 PRO HB2 . 51591 2 31 . 1 . 1 3 3 PRO HB3 H 1 1.64 0.02 . 1 . . . . . 3 PRO HB3 . 51591 2 32 . 1 . 1 3 3 PRO HG2 H 1 1.77 0.02 . 1 . . . . . 3 PRO HG2 . 51591 2 33 . 1 . 1 3 3 PRO HG3 H 1 1.74 0.02 . 1 . . . . . 3 PRO HG3 . 51591 2 34 . 1 . 1 3 3 PRO HD2 H 1 3.59 0.02 . 1 . . . . . 3 PRO HD2 . 51591 2 35 . 1 . 1 3 3 PRO HD3 H 1 3.37 0.02 . 1 . . . . . 3 PRO HD3 . 51591 2 36 . 1 . 1 3 3 PRO CA C 13 63.06 0.05 . 1 . . . . . 3 PRO CA . 51591 2 37 . 1 . 1 3 3 PRO CB C 13 31.83 0.05 . 1 . . . . . 3 PRO CB . 51591 2 38 . 1 . 1 3 3 PRO CG C 13 27.20 0.05 . 1 . . . . . 3 PRO CG . 51591 2 39 . 1 . 1 3 3 PRO CD C 13 50.42 0.05 . 1 . . . . . 3 PRO CD . 51591 2 40 . 1 . 1 4 4 GLY H H 1 8.40 0.02 . 1 . . . . . 4 GLY H . 51591 2 41 . 1 . 1 4 4 GLY HA2 H 1 3.69 0.02 . 1 . . . . . 4 GLY HA2 . 51591 2 42 . 1 . 1 4 4 GLY HA3 H 1 3.62 0.02 . 1 . . . . . 4 GLY HA3 . 51591 2 43 . 1 . 1 4 4 GLY CA C 13 44.82 0.05 . 1 . . . . . 4 GLY CA . 51591 2 44 . 1 . 1 4 4 GLY N N 15 109.57 0.05 . 1 . . . . . 4 GLY N . 51591 2 45 . 1 . 1 5 5 ALA H H 1 8.03 0.02 . 1 . . . . . 5 ALA H . 51591 2 46 . 1 . 1 5 5 ALA HA H 1 4.00 0.02 . 1 . . . . . 5 ALA HA . 51591 2 47 . 1 . 1 5 5 ALA HB1 H 1 1.11 0.02 . 1 . . . . . 5 ALA MB . 51591 2 48 . 1 . 1 5 5 ALA HB2 H 1 1.11 0.02 . 1 . . . . . 5 ALA MB . 51591 2 49 . 1 . 1 5 5 ALA HB3 H 1 1.11 0.02 . 1 . . . . . 5 ALA MB . 51591 2 50 . 1 . 1 5 5 ALA CA C 13 52.66 0.05 . 1 . . . . . 5 ALA CA . 51591 2 51 . 1 . 1 5 5 ALA CB C 13 18.96 0.05 . 1 . . . . . 5 ALA CB . 51591 2 52 . 1 . 1 5 5 ALA N N 15 123.82 0.05 . 1 . . . . . 5 ALA N . 51591 2 53 . 1 . 1 6 6 SER H H 1 8.28 0.02 . 1 . . . . . 6 SER H . 51591 2 54 . 1 . 1 6 6 SER HA H 1 4.09 0.02 . 1 . . . . . 6 SER HA . 51591 2 55 . 1 . 1 6 6 SER HB2 H 1 3.75 0.02 . 1 . . . . . 6 SER HB2 . 51591 2 56 . 1 . 1 6 6 SER HB3 H 1 3.64 0.02 . 1 . . . . . 6 SER HB3 . 51591 2 57 . 1 . 1 6 6 SER CA C 13 58.38 0.05 . 1 . . . . . 6 SER CA . 51591 2 58 . 1 . 1 6 6 SER CB C 13 63.26 0.05 . 1 . . . . . 6 SER CB . 51591 2 59 . 1 . 1 6 6 SER N N 15 115.75 0.05 . 1 . . . . . 6 SER N . 51591 2 60 . 1 . 1 7 7 LEU H H 1 8.17 0.02 . 1 . . . . . 7 LEU H . 51591 2 61 . 1 . 1 7 7 LEU HA H 1 3.93 0.02 . 1 . . . . . 7 LEU HA . 51591 2 62 . 1 . 1 7 7 LEU HB2 H 1 1.36 0.02 . 1 . . . . . 7 LEU HB2 . 51591 2 63 . 1 . 1 7 7 LEU HB3 H 1 1.36 0.02 . 1 . . . . . 7 LEU HB3 . 51591 2 64 . 1 . 1 7 7 LEU HG H 1 1.31 0.02 . 1 . . . . . 7 LEU HG . 51591 2 65 . 1 . 1 7 7 LEU HD11 H 1 0.59 0.02 . 1 . . . . . 7 LEU MD1 . 51591 2 66 . 1 . 1 7 7 LEU HD12 H 1 0.59 0.02 . 1 . . . . . 7 LEU MD1 . 51591 2 67 . 1 . 1 7 7 LEU HD13 H 1 0.59 0.02 . 1 . . . . . 7 LEU MD1 . 51591 2 68 . 1 . 1 7 7 LEU HD21 H 1 0.66 0.02 . 1 . . . . . 7 LEU MD2 . 51591 2 69 . 1 . 1 7 7 LEU HD22 H 1 0.66 0.02 . 1 . . . . . 7 LEU MD2 . 51591 2 70 . 1 . 1 7 7 LEU HD23 H 1 0.66 0.02 . 1 . . . . . 7 LEU MD2 . 51591 2 71 . 1 . 1 7 7 LEU CA C 13 56.90 0.05 . 1 . . . . . 7 LEU CA . 51591 2 72 . 1 . 1 7 7 LEU CB C 13 41.25 0.05 . 1 . . . . . 7 LEU CB . 51591 2 73 . 1 . 1 7 7 LEU CG C 13 26.63 0.05 . 1 . . . . . 7 LEU CG . 51591 2 74 . 1 . 1 7 7 LEU CD1 C 13 23.77 0.05 . 1 . . . . . 7 LEU CD1 . 51591 2 75 . 1 . 1 7 7 LEU CD2 C 13 24.04 0.05 . 1 . . . . . 7 LEU CD2 . 51591 2 76 . 1 . 1 7 7 LEU N N 15 124.28 0.05 . 1 . . . . . 7 LEU N . 51591 2 77 . 1 . 1 8 8 ALA H H 1 8.05 0.02 . 1 . . . . . 8 ALA H . 51591 2 78 . 1 . 1 8 8 ALA HA H 1 3.93 0.02 . 1 . . . . . 8 ALA HA . 51591 2 79 . 1 . 1 8 8 ALA HB1 H 1 1.11 0.02 . 1 . . . . . 8 ALA MB . 51591 2 80 . 1 . 1 8 8 ALA HB2 H 1 1.11 0.02 . 1 . . . . . 8 ALA MB . 51591 2 81 . 1 . 1 8 8 ALA HB3 H 1 1.11 0.02 . 1 . . . . . 8 ALA MB . 51591 2 82 . 1 . 1 8 8 ALA CA C 13 54.26 0.05 . 1 . . . . . 8 ALA CA . 51591 2 83 . 1 . 1 8 8 ALA CB C 13 17.86 0.05 . 1 . . . . . 8 ALA CB . 51591 2 84 . 1 . 1 8 8 ALA N N 15 121.68 0.05 . 1 . . . . . 8 ALA N . 51591 2 85 . 1 . 1 9 9 ALA H H 1 7.84 0.02 . 1 . . . . . 9 ALA H . 51591 2 86 . 1 . 1 9 9 ALA HA H 1 3.87 0.02 . 1 . . . . . 9 ALA HA . 51591 2 87 . 1 . 1 9 9 ALA HB1 H 1 1.19 0.02 . 1 . . . . . 9 ALA MB . 51591 2 88 . 1 . 1 9 9 ALA HB2 H 1 1.19 0.02 . 1 . . . . . 9 ALA MB . 51591 2 89 . 1 . 1 9 9 ALA HB3 H 1 1.19 0.02 . 1 . . . . . 9 ALA MB . 51591 2 90 . 1 . 1 9 9 ALA CA C 13 54.24 0.05 . 1 . . . . . 9 ALA CA . 51591 2 91 . 1 . 1 9 9 ALA CB C 13 17.85 0.05 . 1 . . . . . 9 ALA CB . 51591 2 92 . 1 . 1 9 9 ALA N N 15 121.96 0.05 . 1 . . . . . 9 ALA N . 51591 2 93 . 1 . 1 10 10 LEU H H 1 7.83 0.02 . 1 . . . . . 10 LEU H . 51591 2 94 . 1 . 1 10 10 LEU HA H 1 3.93 0.02 . 1 . . . . . 10 LEU HA . 51591 2 95 . 1 . 1 10 10 LEU HB2 H 1 1.48 0.02 . 1 . . . . . 10 LEU HB2 . 51591 2 96 . 1 . 1 10 10 LEU HB3 H 1 1.48 0.02 . 1 . . . . . 10 LEU HB3 . 51591 2 97 . 1 . 1 10 10 LEU HG H 1 1.36 0.02 . 1 . . . . . 10 LEU HG . 51591 2 98 . 1 . 1 10 10 LEU HD11 H 1 0.62 0.02 . 1 . . . . . 10 LEU MD1 . 51591 2 99 . 1 . 1 10 10 LEU HD12 H 1 0.62 0.02 . 1 . . . . . 10 LEU MD1 . 51591 2 100 . 1 . 1 10 10 LEU HD13 H 1 0.62 0.02 . 1 . . . . . 10 LEU MD1 . 51591 2 101 . 1 . 1 10 10 LEU HD21 H 1 0.58 0.02 . 1 . . . . . 10 LEU MD2 . 51591 2 102 . 1 . 1 10 10 LEU HD22 H 1 0.58 0.02 . 1 . . . . . 10 LEU MD2 . 51591 2 103 . 1 . 1 10 10 LEU HD23 H 1 0.58 0.02 . 1 . . . . . 10 LEU MD2 . 51591 2 104 . 1 . 1 10 10 LEU CA C 13 57.28 0.05 . 1 . . . . . 10 LEU CA . 51591 2 105 . 1 . 1 10 10 LEU CB C 13 41.32 0.05 . 1 . . . . . 10 LEU CB . 51591 2 106 . 1 . 1 10 10 LEU CG C 13 26.54 0.05 . 1 . . . . . 10 LEU CG . 51591 2 107 . 1 . 1 10 10 LEU CD1 C 13 23.60 0.05 . 1 . . . . . 10 LEU CD1 . 51591 2 108 . 1 . 1 10 10 LEU CD2 C 13 24.28 0.05 . 1 . . . . . 10 LEU CD2 . 51591 2 109 . 1 . 1 10 10 LEU N N 15 120.94 0.05 . 1 . . . . . 10 LEU N . 51591 2 110 . 1 . 1 11 11 GLN H H 1 8.19 0.02 . 1 . . . . . 11 GLN H . 51591 2 111 . 1 . 1 11 11 GLN HA H 1 3.80 0.02 . 1 . . . . . 11 GLN HA . 51591 2 112 . 1 . 1 11 11 GLN HB2 H 1 1.89 0.02 . 1 . . . . . 11 GLN HB2 . 51591 2 113 . 1 . 1 11 11 GLN HB3 H 1 1.78 0.02 . 1 . . . . . 11 GLN HB3 . 51591 2 114 . 1 . 1 11 11 GLN HG2 H 1 2.25 0.02 . 1 . . . . . 11 GLN HG2 . 51591 2 115 . 1 . 1 11 11 GLN HG3 H 1 2.11 0.02 . 1 . . . . . 11 GLN HG3 . 51591 2 116 . 1 . 1 11 11 GLN HE21 H 1 7.30 0.02 . 1 . . . . . 11 GLN HE21 . 51591 2 117 . 1 . 1 11 11 GLN HE22 H 1 6.61 0.02 . 1 . . . . . 11 GLN HE22 . 51591 2 118 . 1 . 1 11 11 GLN CA C 13 58.18 0.05 . 1 . . . . . 11 GLN CA . 51591 2 119 . 1 . 1 11 11 GLN CB C 13 27.87 0.05 . 1 . . . . . 11 GLN CB . 51591 2 120 . 1 . 1 11 11 GLN CG C 13 33.86 0.05 . 1 . . . . . 11 GLN CG . 51591 2 121 . 1 . 1 11 11 GLN N N 15 119.32 0.05 . 1 . . . . . 11 GLN N . 51591 2 122 . 1 . 1 11 11 GLN NE2 N 15 111.45 0.05 . 1 . . . . . 11 GLN NE2 . 51591 2 123 . 1 . 1 12 12 ALA H H 1 7.82 0.02 . 1 . . . . . 12 ALA H . 51591 2 124 . 1 . 1 12 12 ALA HA H 1 3.89 0.02 . 1 . . . . . 12 ALA HA . 51591 2 125 . 1 . 1 12 12 ALA HB1 H 1 1.18 0.02 . 1 . . . . . 12 ALA MB . 51591 2 126 . 1 . 1 12 12 ALA HB2 H 1 1.18 0.02 . 1 . . . . . 12 ALA MB . 51591 2 127 . 1 . 1 12 12 ALA HB3 H 1 1.18 0.02 . 1 . . . . . 12 ALA MB . 51591 2 128 . 1 . 1 12 12 ALA CA C 13 54.32 0.05 . 1 . . . . . 12 ALA CA . 51591 2 129 . 1 . 1 12 12 ALA CB C 13 17.61 0.05 . 1 . . . . . 12 ALA CB . 51591 2 130 . 1 . 1 12 12 ALA N N 15 122.84 0.05 . 1 . . . . . 12 ALA N . 51591 2 131 . 1 . 1 13 13 LEU H H 1 7.63 0.02 . 1 . . . . . 13 LEU H . 51591 2 132 . 1 . 1 13 13 LEU HA H 1 3.89 0.02 . 1 . . . . . 13 LEU HA . 51591 2 133 . 1 . 1 13 13 LEU HB2 H 1 1.51 0.02 . 1 . . . . . 13 LEU HB2 . 51591 2 134 . 1 . 1 13 13 LEU HB3 H 1 1.39 0.02 . 1 . . . . . 13 LEU HB3 . 51591 2 135 . 1 . 1 13 13 LEU HG H 1 1.37 0.02 . 1 . . . . . 13 LEU HG . 51591 2 136 . 1 . 1 13 13 LEU HD11 H 1 0.65 0.02 . 1 . . . . . 13 LEU MD1 . 51591 2 137 . 1 . 1 13 13 LEU HD12 H 1 0.65 0.02 . 1 . . . . . 13 LEU MD1 . 51591 2 138 . 1 . 1 13 13 LEU HD13 H 1 0.65 0.02 . 1 . . . . . 13 LEU MD1 . 51591 2 139 . 1 . 1 13 13 LEU HD21 H 1 0.60 0.02 . 1 . . . . . 13 LEU MD2 . 51591 2 140 . 1 . 1 13 13 LEU HD22 H 1 0.60 0.02 . 1 . . . . . 13 LEU MD2 . 51591 2 141 . 1 . 1 13 13 LEU HD23 H 1 0.60 0.02 . 1 . . . . . 13 LEU MD2 . 51591 2 142 . 1 . 1 13 13 LEU CA C 13 57.27 0.05 . 1 . . . . . 13 LEU CA . 51591 2 143 . 1 . 1 13 13 LEU CB C 13 41.55 0.05 . 1 . . . . . 13 LEU CB . 51591 2 144 . 1 . 1 13 13 LEU CG C 13 26.60 0.05 . 1 . . . . . 13 LEU CG . 51591 2 145 . 1 . 1 13 13 LEU CD1 C 13 23.97 0.05 . 1 . . . . . 13 LEU CD1 . 51591 2 146 . 1 . 1 13 13 LEU CD2 C 13 24.10 0.05 . 1 . . . . . 13 LEU CD2 . 51591 2 147 . 1 . 1 13 13 LEU N N 15 120.66 0.05 . 1 . . . . . 13 LEU N . 51591 2 148 . 1 . 1 14 14 GLN H H 1 8.01 0.02 . 1 . . . . . 14 GLN H . 51591 2 149 . 1 . 1 14 14 GLN HA H 1 3.80 0.02 . 1 . . . . . 14 GLN HA . 51591 2 150 . 1 . 1 14 14 GLN HB2 H 1 1.87 0.02 . 1 . . . . . 14 GLN HB2 . 51591 2 151 . 1 . 1 14 14 GLN HB3 H 1 1.75 0.02 . 1 . . . . . 14 GLN HB3 . 51591 2 152 . 1 . 1 14 14 GLN HG2 H 1 2.25 0.02 . 1 . . . . . 14 GLN HG2 . 51591 2 153 . 1 . 1 14 14 GLN HG3 H 1 2.10 0.02 . 1 . . . . . 14 GLN HG3 . 51591 2 154 . 1 . 1 14 14 GLN HE21 H 1 7.29 0.02 . 1 . . . . . 14 GLN HE21 . 51591 2 155 . 1 . 1 14 14 GLN HE22 H 1 6.59 0.02 . 1 . . . . . 14 GLN HE22 . 51591 2 156 . 1 . 1 14 14 GLN CA C 13 58.11 0.05 . 1 . . . . . 14 GLN CA . 51591 2 157 . 1 . 1 14 14 GLN CB C 13 27.86 0.05 . 1 . . . . . 14 GLN CB . 51591 2 158 . 1 . 1 14 14 GLN CG C 13 33.75 0.05 . 1 . . . . . 14 GLN CG . 51591 2 159 . 1 . 1 14 14 GLN N N 15 119.13 0.05 . 1 . . . . . 14 GLN N . 51591 2 160 . 1 . 1 14 14 GLN NE2 N 15 111.27 0.05 . 1 . . . . . 14 GLN NE2 . 51591 2 161 . 1 . 1 15 15 ALA H H 1 7.81 0.02 . 1 . . . . . 15 ALA H . 51591 2 162 . 1 . 1 15 15 ALA HA H 1 3.93 0.02 . 1 . . . . . 15 ALA HA . 51591 2 163 . 1 . 1 15 15 ALA HB1 H 1 1.19 0.02 . 1 . . . . . 15 ALA MB . 51591 2 164 . 1 . 1 15 15 ALA HB2 H 1 1.19 0.02 . 1 . . . . . 15 ALA MB . 51591 2 165 . 1 . 1 15 15 ALA HB3 H 1 1.19 0.02 . 1 . . . . . 15 ALA MB . 51591 2 166 . 1 . 1 15 15 ALA CA C 13 54.23 0.05 . 1 . . . . . 15 ALA CA . 51591 2 167 . 1 . 1 15 15 ALA CB C 13 17.69 0.05 . 1 . . . . . 15 ALA CB . 51591 2 168 . 1 . 1 15 15 ALA N N 15 122.49 0.05 . 1 . . . . . 15 ALA N . 51591 2 169 . 1 . 1 16 16 LEU H H 1 7.62 0.02 . 1 . . . . . 16 LEU H . 51591 2 170 . 1 . 1 16 16 LEU HA H 1 3.92 0.02 . 1 . . . . . 16 LEU HA . 51591 2 171 . 1 . 1 16 16 LEU HB2 H 1 1.51 0.02 . 1 . . . . . 16 LEU HB2 . 51591 2 172 . 1 . 1 16 16 LEU HB3 H 1 1.46 0.02 . 1 . . . . . 16 LEU HB3 . 51591 2 173 . 1 . 1 16 16 LEU HG H 1 1.40 0.02 . 1 . . . . . 16 LEU HG . 51591 2 174 . 1 . 1 16 16 LEU HD11 H 1 0.64 0.02 . 1 . . . . . 16 LEU MD1 . 51591 2 175 . 1 . 1 16 16 LEU HD12 H 1 0.64 0.02 . 1 . . . . . 16 LEU MD1 . 51591 2 176 . 1 . 1 16 16 LEU HD13 H 1 0.64 0.02 . 1 . . . . . 16 LEU MD1 . 51591 2 177 . 1 . 1 16 16 LEU HD21 H 1 0.59 0.02 . 1 . . . . . 16 LEU MD2 . 51591 2 178 . 1 . 1 16 16 LEU HD22 H 1 0.59 0.02 . 1 . . . . . 16 LEU MD2 . 51591 2 179 . 1 . 1 16 16 LEU HD23 H 1 0.59 0.02 . 1 . . . . . 16 LEU MD2 . 51591 2 180 . 1 . 1 16 16 LEU CA C 13 57.10 0.05 . 1 . . . . . 16 LEU CA . 51591 2 181 . 1 . 1 16 16 LEU CB C 13 41.70 0.05 . 1 . . . . . 16 LEU CB . 51591 2 182 . 1 . 1 16 16 LEU CG C 13 26.54 0.05 . 1 . . . . . 16 LEU CG . 51591 2 183 . 1 . 1 16 16 LEU CD1 C 13 23.81 0.05 . 1 . . . . . 16 LEU CD1 . 51591 2 184 . 1 . 1 16 16 LEU CD2 C 13 24.35 0.05 . 1 . . . . . 16 LEU CD2 . 51591 2 185 . 1 . 1 16 16 LEU N N 15 120.97 0.05 . 1 . . . . . 16 LEU N . 51591 2 186 . 1 . 1 17 17 GLN H H 1 7.98 0.02 . 1 . . . . . 17 GLN H . 51591 2 187 . 1 . 1 17 17 GLN HA H 1 3.79 0.02 . 1 . . . . . 17 GLN HA . 51591 2 188 . 1 . 1 17 17 GLN HB2 H 1 1.86 0.02 . 1 . . . . . 17 GLN HB2 . 51591 2 189 . 1 . 1 17 17 GLN HB3 H 1 1.78 0.02 . 1 . . . . . 17 GLN HB3 . 51591 2 190 . 1 . 1 17 17 GLN HG2 H 1 2.25 0.02 . 1 . . . . . 17 GLN HG2 . 51591 2 191 . 1 . 1 17 17 GLN HG3 H 1 2.09 0.02 . 1 . . . . . 17 GLN HG3 . 51591 2 192 . 1 . 1 17 17 GLN HE21 H 1 7.91 0.02 . 1 . . . . . 17 GLN HE21 . 51591 2 193 . 1 . 1 17 17 GLN HE22 H 1 6.61 0.02 . 1 . . . . . 17 GLN HE22 . 51591 2 194 . 1 . 1 17 17 GLN CA C 13 57.71 0.05 . 1 . . . . . 17 GLN CA . 51591 2 195 . 1 . 1 17 17 GLN CB C 13 27.99 0.05 . 1 . . . . . 17 GLN CB . 51591 2 196 . 1 . 1 17 17 GLN CG C 13 33.68 0.05 . 1 . . . . . 17 GLN CG . 51591 2 197 . 1 . 1 17 17 GLN N N 15 118.89 0.05 . 1 . . . . . 17 GLN N . 51591 2 198 . 1 . 1 17 17 GLN NE2 N 15 111.40 0.05 . 1 . . . . . 17 GLN NE2 . 51591 2 199 . 1 . 1 18 18 ALA H H 1 7.91 0.02 . 1 . . . . . 18 ALA H . 51591 2 200 . 1 . 1 18 18 ALA HA H 1 3.91 0.02 . 1 . . . . . 18 ALA HA . 51591 2 201 . 1 . 1 18 18 ALA HB1 H 1 1.17 0.02 . 1 . . . . . 18 ALA MB . 51591 2 202 . 1 . 1 18 18 ALA HB2 H 1 1.17 0.02 . 1 . . . . . 18 ALA MB . 51591 2 203 . 1 . 1 18 18 ALA HB3 H 1 1.17 0.02 . 1 . . . . . 18 ALA MB . 51591 2 204 . 1 . 1 18 18 ALA CA C 13 53.87 0.05 . 1 . . . . . 18 ALA CA . 51591 2 205 . 1 . 1 18 18 ALA CB C 13 17.89 0.05 . 1 . . . . . 18 ALA CB . 51591 2 206 . 1 . 1 18 18 ALA N N 15 122.68 0.05 . 1 . . . . . 18 ALA N . 51591 2 207 . 1 . 1 19 19 ALA H H 1 7.68 0.02 . 1 . . . . . 19 ALA H . 51591 2 208 . 1 . 1 19 19 ALA HA H 1 3.92 0.02 . 1 . . . . . 19 ALA HA . 51591 2 209 . 1 . 1 19 19 ALA HB1 H 1 1.19 0.02 . 1 . . . . . 19 ALA MB . 51591 2 210 . 1 . 1 19 19 ALA HB2 H 1 1.19 0.02 . 1 . . . . . 19 ALA MB . 51591 2 211 . 1 . 1 19 19 ALA HB3 H 1 1.19 0.02 . 1 . . . . . 19 ALA MB . 51591 2 212 . 1 . 1 19 19 ALA CA C 13 53.64 0.05 . 1 . . . . . 19 ALA CA . 51591 2 213 . 1 . 1 19 19 ALA CB C 13 18.06 0.05 . 1 . . . . . 19 ALA CB . 51591 2 214 . 1 . 1 19 19 ALA N N 15 121.32 0.05 . 1 . . . . . 19 ALA N . 51591 2 215 . 1 . 1 20 20 GLN H H 1 7.80 0.02 . 1 . . . . . 20 GLN H . 51591 2 216 . 1 . 1 20 20 GLN HA H 1 3.85 0.02 . 1 . . . . . 20 GLN HA . 51591 2 217 . 1 . 1 20 20 GLN HB2 H 1 1.81 0.02 . 1 . . . . . 20 GLN HB2 . 51591 2 218 . 1 . 1 20 20 GLN HB3 H 1 1.81 0.02 . 1 . . . . . 20 GLN HB3 . 51591 2 219 . 1 . 1 20 20 GLN HG2 H 1 2.21 0.02 . 1 . . . . . 20 GLN HG2 . 51591 2 220 . 1 . 1 20 20 GLN HG3 H 1 2.12 0.02 . 1 . . . . . 20 GLN HG3 . 51591 2 221 . 1 . 1 20 20 GLN HE21 H 1 7.70 0.02 . 1 . . . . . 20 GLN HE21 . 51591 2 222 . 1 . 1 20 20 GLN HE22 H 1 6.66 0.02 . 1 . . . . . 20 GLN HE22 . 51591 2 223 . 1 . 1 20 20 GLN CA C 13 56.67 0.05 . 1 . . . . . 20 GLN CA . 51591 2 224 . 1 . 1 20 20 GLN CB C 13 28.49 0.05 . 1 . . . . . 20 GLN CB . 51591 2 225 . 1 . 1 20 20 GLN CG C 13 33.53 0.05 . 1 . . . . . 20 GLN CG . 51591 2 226 . 1 . 1 20 20 GLN N N 15 117.67 0.05 . 1 . . . . . 20 GLN N . 51591 2 227 . 1 . 1 20 20 GLN NE2 N 15 112.10 0.05 . 1 . . . . . 20 GLN NE2 . 51591 2 228 . 1 . 1 21 21 ALA H H 1 7.70 0.02 . 1 . . . . . 21 ALA H . 51591 2 229 . 1 . 1 21 21 ALA HA H 1 3.93 0.02 . 1 . . . . . 21 ALA HA . 51591 2 230 . 1 . 1 21 21 ALA HB1 H 1 1.14 0.02 . 1 . . . . . 21 ALA MB . 51591 2 231 . 1 . 1 21 21 ALA HB2 H 1 1.14 0.02 . 1 . . . . . 21 ALA MB . 51591 2 232 . 1 . 1 21 21 ALA HB3 H 1 1.14 0.02 . 1 . . . . . 21 ALA MB . 51591 2 233 . 1 . 1 21 21 ALA CA C 13 52.84 0.05 . 1 . . . . . 21 ALA CA . 51591 2 234 . 1 . 1 21 21 ALA CB C 13 18.47 0.05 . 1 . . . . . 21 ALA CB . 51591 2 235 . 1 . 1 21 21 ALA N N 15 122.73 0.05 . 1 . . . . . 21 ALA N . 51591 2 236 . 1 . 1 22 22 ALA H H 1 7.59 0.02 . 1 . . . . . 22 ALA H . 51591 2 237 . 1 . 1 22 22 ALA HA H 1 3.94 0.02 . 1 . . . . . 22 ALA HA . 51591 2 238 . 1 . 1 22 22 ALA HB1 H 1 1.11 0.02 . 1 . . . . . 22 ALA MB . 51591 2 239 . 1 . 1 22 22 ALA HB2 H 1 1.11 0.02 . 1 . . . . . 22 ALA MB . 51591 2 240 . 1 . 1 22 22 ALA HB3 H 1 1.11 0.02 . 1 . . . . . 22 ALA MB . 51591 2 241 . 1 . 1 22 22 ALA CA C 13 52.21 0.05 . 1 . . . . . 22 ALA CA . 51591 2 242 . 1 . 1 22 22 ALA CB C 13 18.65 0.05 . 1 . . . . . 22 ALA CB . 51591 2 243 . 1 . 1 22 22 ALA N N 15 121.17 0.05 . 1 . . . . . 22 ALA N . 51591 2 244 . 1 . 1 23 23 LYS H H 1 7.68 0.02 . 1 . . . . . 23 LYS H . 51591 2 245 . 1 . 1 23 23 LYS HA H 1 3.88 0.02 . 1 . . . . . 23 LYS HA . 51591 2 246 . 1 . 1 23 23 LYS HB2 H 1 1.42 0.02 . 1 . . . . . 23 LYS HB2 . 51591 2 247 . 1 . 1 23 23 LYS HB3 H 1 1.42 0.02 . 1 . . . . . 23 LYS HB3 . 51591 2 248 . 1 . 1 23 23 LYS HG2 H 1 1.10 0.02 . 1 . . . . . 23 LYS HG2 . 51591 2 249 . 1 . 1 23 23 LYS HG3 H 1 1.01 0.02 . 1 . . . . . 23 LYS HG3 . 51591 2 250 . 1 . 1 23 23 LYS HD2 H 1 1.33 0.02 . 1 . . . . . 23 LYS HD2 . 51591 2 251 . 1 . 1 23 23 LYS HD3 H 1 1.33 0.02 . 1 . . . . . 23 LYS HD3 . 51591 2 252 . 1 . 1 23 23 LYS HE2 H 1 2.68 0.02 . 1 . . . . . 23 LYS HE2 . 51591 2 253 . 1 . 1 23 23 LYS HE3 H 1 2.68 0.02 . 1 . . . . . 23 LYS HE3 . 51591 2 254 . 1 . 1 23 23 LYS CA C 13 56.05 0.05 . 1 . . . . . 23 LYS CA . 51591 2 255 . 1 . 1 23 23 LYS CB C 13 32.62 0.05 . 1 . . . . . 23 LYS CB . 51591 2 256 . 1 . 1 23 23 LYS CG C 13 24.50 0.05 . 1 . . . . . 23 LYS CG . 51591 2 257 . 1 . 1 23 23 LYS CD C 13 28.78 0.05 . 1 . . . . . 23 LYS CD . 51591 2 258 . 1 . 1 23 23 LYS CE C 13 41.52 0.05 . 1 . . . . . 23 LYS CE . 51591 2 259 . 1 . 1 23 23 LYS N N 15 120.11 0.05 . 1 . . . . . 23 LYS N . 51591 2 260 . 1 . 1 24 24 LYS H H 1 7.98 0.02 . 1 . . . . . 24 LYS H . 51591 2 261 . 1 . 1 24 24 LYS HA H 1 3.98 0.02 . 1 . . . . . 24 LYS HA . 51591 2 262 . 1 . 1 24 24 LYS HB2 H 1 1.48 0.02 . 1 . . . . . 24 LYS HB2 . 51591 2 263 . 1 . 1 24 24 LYS HB3 H 1 1.35 0.02 . 1 . . . . . 24 LYS HB3 . 51591 2 264 . 1 . 1 24 24 LYS HG2 H 1 1.10 0.02 . 1 . . . . . 24 LYS HG2 . 51591 2 265 . 1 . 1 24 24 LYS HG3 H 1 1.03 0.02 . 1 . . . . . 24 LYS HG3 . 51591 2 266 . 1 . 1 24 24 LYS HD2 H 1 1.33 0.02 . 1 . . . . . 24 LYS HD2 . 51591 2 267 . 1 . 1 24 24 LYS HD3 H 1 1.33 0.02 . 1 . . . . . 24 LYS HD3 . 51591 2 268 . 1 . 1 24 24 LYS HE2 H 1 2.67 0.02 . 1 . . . . . 24 LYS HE2 . 51591 2 269 . 1 . 1 24 24 LYS HE3 H 1 2.62 0.02 . 1 . . . . . 24 LYS HE3 . 51591 2 270 . 1 . 1 24 24 LYS CA C 13 55.71 0.05 . 1 . . . . . 24 LYS CA . 51591 2 271 . 1 . 1 24 24 LYS CB C 13 32.88 0.05 . 1 . . . . . 24 LYS CB . 51591 2 272 . 1 . 1 24 24 LYS CG C 13 24.35 0.05 . 1 . . . . . 24 LYS CG . 51591 2 273 . 1 . 1 24 24 LYS CD C 13 28.50 0.05 . 1 . . . . . 24 LYS CD . 51591 2 274 . 1 . 1 24 24 LYS CE C 13 41.80 0.05 . 1 . . . . . 24 LYS CE . 51591 2 275 . 1 . 1 24 24 LYS N N 15 122.99 0.05 . 1 . . . . . 24 LYS N . 51591 2 276 . 1 . 1 25 25 TYR H H 1 7.53 0.02 . 1 . . . . . 25 TYR H . 51591 2 277 . 1 . 1 25 25 TYR HA H 1 4.06 0.02 . 1 . . . . . 25 TYR HA . 51591 2 278 . 1 . 1 25 25 TYR HB2 H 1 2.78 0.02 . 1 . . . . . 25 TYR HB2 . 51591 2 279 . 1 . 1 25 25 TYR HB3 H 1 2.54 0.02 . 1 . . . . . 25 TYR HB3 . 51591 2 280 . 1 . 1 25 25 TYR HD1 H 1 6.80 0.02 . 1 . . . . . 25 TYR HD1 . 51591 2 281 . 1 . 1 25 25 TYR HD2 H 1 6.80 0.02 . 1 . . . . . 25 TYR HD2 . 51591 2 282 . 1 . 1 25 25 TYR CA C 13 58.81 0.05 . 1 . . . . . 25 TYR CA . 51591 2 283 . 1 . 1 25 25 TYR CB C 13 39.20 0.05 . 1 . . . . . 25 TYR CB . 51591 2 284 . 1 . 1 25 25 TYR CD1 C 13 129.52 0.05 . 1 . . . . . 25 TYR CD1 . 51591 2 285 . 1 . 1 25 25 TYR CD2 C 13 129.52 0.05 . 1 . . . . . 25 TYR CD2 . 51591 2 286 . 1 . 1 25 25 TYR CE1 C 13 114.68 0.05 . 1 . . . . . 25 TYR CE1 . 51591 2 287 . 1 . 1 25 25 TYR CE2 C 13 114.68 0.05 . 1 . . . . . 25 TYR CE2 . 51591 2 288 . 1 . 1 25 25 TYR N N 15 125.91 0.05 . 1 . . . . . 25 TYR N . 51591 2 stop_ save_