################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17558 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17558 1 3 '3D HNCO' . . . 17558 1 5 '3D HNCACB' . . . 17558 1 9 '3D HCCH-COSY' . . . 17558 1 10 '3D 1H-15N NOESY' . . . 17558 1 12 '3D CBCA(CO)NH' . . . 17558 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.639 0.02 . 1 . . . A 1 LYS HA . 17558 1 2 . 1 1 1 1 LYS HE2 H 1 2.900 0.02 . 2 . . . A 1 LYS HE2 . 17558 1 3 . 1 1 1 1 LYS CE C 13 42.047 0.20 . 1 . . . A 1 LYS CE . 17558 1 4 . 1 1 2 2 HIS HA H 1 4.313 0.02 . 1 . . . A 2 HIS HA . 17558 1 5 . 1 1 2 2 HIS HB2 H 1 3.154 0.02 . 2 . . . A 2 HIS HB2 . 17558 1 6 . 1 1 2 2 HIS HD2 H 1 6.889 0.02 . 1 . . . A 2 HIS HD2 . 17558 1 7 . 1 1 2 2 HIS HE1 H 1 7.802 0.02 . 1 . . . A 2 HIS HE1 . 17558 1 8 . 1 1 2 2 HIS C C 13 177.032 0.2 . 1 . . . A 2 HIS C . 17558 1 9 . 1 1 2 2 HIS CA C 13 59.353 0.2 . 1 . . . A 2 HIS CA . 17558 1 10 . 1 1 2 2 HIS CB C 13 30.556 0.2 . 1 . . . A 2 HIS CB . 17558 1 11 . 1 1 2 2 HIS CD2 C 13 119.910 0.2 . 1 . . . A 2 HIS CD2 . 17558 1 12 . 1 1 2 2 HIS CE1 C 13 138.800 0.2 . 1 . . . A 2 HIS CE1 . 17558 1 13 . 1 1 3 3 MET H H 1 8.055 0.02 . 1 . . . A 3 MET H . 17558 1 14 . 1 1 3 3 MET HA H 1 4.116 0.02 . 1 . . . A 3 MET HA . 17558 1 15 . 1 1 3 3 MET HB2 H 1 2.300 0.02 . 2 . . . A 3 MET HB2 . 17558 1 16 . 1 1 3 3 MET HE1 H 1 1.839 0.02 . 1 . . . A 3 MET HE1 . 17558 1 17 . 1 1 3 3 MET HE2 H 1 1.839 0.02 . 1 . . . A 3 MET HE2 . 17558 1 18 . 1 1 3 3 MET HE3 H 1 1.839 0.02 . 1 . . . A 3 MET HE3 . 17558 1 19 . 1 1 3 3 MET C C 13 177.497 0.2 . 1 . . . A 3 MET C . 17558 1 20 . 1 1 3 3 MET CA C 13 59.361 0.2 . 1 . . . A 3 MET CA . 17558 1 21 . 1 1 3 3 MET CB C 13 33.826 0.2 . 1 . . . A 3 MET CB . 17558 1 22 . 1 1 3 3 MET CE C 13 17.148 0.2 . 1 . . . A 3 MET CE . 17558 1 23 . 1 1 3 3 MET N N 15 118.797 0.2 . 1 . . . A 3 MET N . 17558 1 24 . 1 1 4 4 ALA H H 1 8.279 0.02 . 1 . . . A 4 ALA H . 17558 1 25 . 1 1 4 4 ALA HA H 1 3.965 0.02 . 1 . . . A 4 ALA HA . 17558 1 26 . 1 1 4 4 ALA HB1 H 1 1.410 0.02 . 1 . . . A 4 ALA HB1 . 17558 1 27 . 1 1 4 4 ALA HB2 H 1 1.410 0.02 . 1 . . . A 4 ALA HB2 . 17558 1 28 . 1 1 4 4 ALA HB3 H 1 1.410 0.02 . 1 . . . A 4 ALA HB3 . 17558 1 29 . 1 1 4 4 ALA C C 13 178.892 0.2 . 1 . . . A 4 ALA C . 17558 1 30 . 1 1 4 4 ALA CA C 13 56.051 0.2 . 1 . . . A 4 ALA CA . 17558 1 31 . 1 1 4 4 ALA CB C 13 18.804 0.2 . 1 . . . A 4 ALA CB . 17558 1 32 . 1 1 4 4 ALA N N 15 120.454 0.2 . 1 . . . A 4 ALA N . 17558 1 33 . 1 1 5 5 GLY H H 1 8.478 0.02 . 1 . . . A 5 GLY H . 17558 1 34 . 1 1 5 5 GLY HA2 H 1 3.621 0.02 . 2 . . . A 5 GLY HA2 . 17558 1 35 . 1 1 5 5 GLY HA3 H 1 3.858 0.02 . 2 . . . A 5 GLY HA3 . 17558 1 36 . 1 1 5 5 GLY C C 13 174.212 0.2 . 1 . . . A 5 GLY C . 17558 1 37 . 1 1 5 5 GLY CA C 13 47.970 0.2 . 1 . . . A 5 GLY CA . 17558 1 38 . 1 1 5 5 GLY N N 15 104.385 0.2 . 1 . . . A 5 GLY N . 17558 1 39 . 1 1 6 6 ALA H H 1 8.005 0.02 . 1 . . . A 6 ALA H . 17558 1 40 . 1 1 6 6 ALA HA H 1 4.245 0.02 . 1 . . . A 6 ALA HA . 17558 1 41 . 1 1 6 6 ALA HB1 H 1 1.355 0.02 . 1 . . . A 6 ALA HB1 . 17558 1 42 . 1 1 6 6 ALA HB2 H 1 1.355 0.02 . 1 . . . A 6 ALA HB2 . 17558 1 43 . 1 1 6 6 ALA HB3 H 1 1.355 0.02 . 1 . . . A 6 ALA HB3 . 17558 1 44 . 1 1 6 6 ALA C C 13 179.297 0.2 . 1 . . . A 6 ALA C . 17558 1 45 . 1 1 6 6 ALA CA C 13 56.301 0.2 . 1 . . . A 6 ALA CA . 17558 1 46 . 1 1 6 6 ALA CB C 13 19.467 0.2 . 1 . . . A 6 ALA CB . 17558 1 47 . 1 1 6 6 ALA N N 15 123.200 0.2 . 1 . . . A 6 ALA N . 17558 1 48 . 1 1 7 7 ALA H H 1 8.315 0.02 . 1 . . . A 7 ALA H . 17558 1 49 . 1 1 7 7 ALA HA H 1 3.863 0.02 . 1 . . . A 7 ALA HA . 17558 1 50 . 1 1 7 7 ALA HB1 H 1 1.400 0.02 . 1 . . . A 7 ALA HB1 . 17558 1 51 . 1 1 7 7 ALA HB2 H 1 1.400 0.02 . 1 . . . A 7 ALA HB2 . 17558 1 52 . 1 1 7 7 ALA HB3 H 1 1.400 0.02 . 1 . . . A 7 ALA HB3 . 17558 1 53 . 1 1 7 7 ALA C C 13 178.133 0.2 . 1 . . . A 7 ALA C . 17558 1 54 . 1 1 7 7 ALA CA C 13 55.720 0.2 . 1 . . . A 7 ALA CA . 17558 1 55 . 1 1 7 7 ALA CB C 13 18.785 0.2 . 1 . . . A 7 ALA CB . 17558 1 56 . 1 1 7 7 ALA N N 15 119.489 0.2 . 1 . . . A 7 ALA N . 17558 1 57 . 1 1 8 8 ALA H H 1 8.294 0.02 . 1 . . . A 8 ALA H . 17558 1 58 . 1 1 8 8 ALA HA H 1 3.988 0.02 . 1 . . . A 8 ALA HA . 17558 1 59 . 1 1 8 8 ALA HB1 H 1 1.605 0.02 . 1 . . . A 8 ALA HB1 . 17558 1 60 . 1 1 8 8 ALA HB2 H 1 1.605 0.02 . 1 . . . A 8 ALA HB2 . 17558 1 61 . 1 1 8 8 ALA HB3 H 1 1.605 0.02 . 1 . . . A 8 ALA HB3 . 17558 1 62 . 1 1 8 8 ALA C C 13 178.857 0.2 . 1 . . . A 8 ALA C . 17558 1 63 . 1 1 8 8 ALA CA C 13 56.089 0.2 . 1 . . . A 8 ALA CA . 17558 1 64 . 1 1 8 8 ALA CB C 13 18.637 0.2 . 1 . . . A 8 ALA CB . 17558 1 65 . 1 1 8 8 ALA N N 15 118.612 0.2 . 1 . . . A 8 ALA N . 17558 1 66 . 1 1 9 9 ALA H H 1 8.029 0.02 . 1 . . . A 9 ALA H . 17558 1 67 . 1 1 9 9 ALA HA H 1 3.861 0.02 . 1 . . . A 9 ALA HA . 17558 1 68 . 1 1 9 9 ALA HB1 H 1 1.376 0.02 . 1 . . . A 9 ALA HB1 . 17558 1 69 . 1 1 9 9 ALA HB2 H 1 1.376 0.02 . 1 . . . A 9 ALA HB2 . 17558 1 70 . 1 1 9 9 ALA HB3 H 1 1.376 0.02 . 1 . . . A 9 ALA HB3 . 17558 1 71 . 1 1 9 9 ALA C C 13 179.548 0.2 . 1 . . . A 9 ALA C . 17558 1 72 . 1 1 9 9 ALA CA C 13 55.890 0.2 . 1 . . . A 9 ALA CA . 17558 1 73 . 1 1 9 9 ALA CB C 13 18.986 0.2 . 1 . . . A 9 ALA CB . 17558 1 74 . 1 1 9 9 ALA N N 15 118.968 0.2 . 1 . . . A 9 ALA N . 17558 1 75 . 1 1 10 10 GLY H H 1 8.386 0.02 . 1 . . . A 10 GLY H . 17558 1 76 . 1 1 10 10 GLY HA2 H 1 3.495 0.02 . 2 . . . A 10 GLY HA2 . 17558 1 77 . 1 1 10 10 GLY HA3 H 1 4.313 0.02 . 2 . . . A 10 GLY HA3 . 17558 1 78 . 1 1 10 10 GLY C C 13 175.031 0.2 . 1 . . . A 10 GLY C . 17558 1 79 . 1 1 10 10 GLY CA C 13 47.696 0.2 . 1 . . . A 10 GLY CA . 17558 1 80 . 1 1 10 10 GLY N N 15 103.412 0.2 . 1 . . . A 10 GLY N . 17558 1 81 . 1 1 11 11 ALA H H 1 8.392 0.02 . 1 . . . A 11 ALA H . 17558 1 82 . 1 1 11 11 ALA HA H 1 4.159 0.02 . 1 . . . A 11 ALA HA . 17558 1 83 . 1 1 11 11 ALA HB1 H 1 1.282 0.02 . 1 . . . A 11 ALA HB1 . 17558 1 84 . 1 1 11 11 ALA HB2 H 1 1.282 0.02 . 1 . . . A 11 ALA HB2 . 17558 1 85 . 1 1 11 11 ALA HB3 H 1 1.282 0.02 . 1 . . . A 11 ALA HB3 . 17558 1 86 . 1 1 11 11 ALA C C 13 179.909 0.2 . 1 . . . A 11 ALA C . 17558 1 87 . 1 1 11 11 ALA CA C 13 55.624 0.2 . 1 . . . A 11 ALA CA . 17558 1 88 . 1 1 11 11 ALA CB C 13 18.158 0.2 . 1 . . . A 11 ALA CB . 17558 1 89 . 1 1 11 11 ALA N N 15 123.234 0.2 . 1 . . . A 11 ALA N . 17558 1 90 . 1 1 12 12 VAL H H 1 7.932 0.02 . 1 . . . A 12 VAL H . 17558 1 91 . 1 1 12 12 VAL HA H 1 3.539 0.02 . 1 . . . A 12 VAL HA . 17558 1 92 . 1 1 12 12 VAL HB H 1 2.147 0.02 . 1 . . . A 12 VAL HB . 17558 1 93 . 1 1 12 12 VAL HG11 H 1 0.970 0.02 . 2 . . . A 12 VAL HG11 . 17558 1 94 . 1 1 12 12 VAL HG12 H 1 0.970 0.02 . 2 . . . A 12 VAL HG12 . 17558 1 95 . 1 1 12 12 VAL HG13 H 1 0.970 0.02 . 2 . . . A 12 VAL HG13 . 17558 1 96 . 1 1 12 12 VAL HG21 H 1 0.792 0.02 . 2 . . . A 12 VAL HG21 . 17558 1 97 . 1 1 12 12 VAL HG22 H 1 0.792 0.02 . 2 . . . A 12 VAL HG22 . 17558 1 98 . 1 1 12 12 VAL HG23 H 1 0.792 0.02 . 2 . . . A 12 VAL HG23 . 17558 1 99 . 1 1 12 12 VAL C C 13 176.877 0.2 . 1 . . . A 12 VAL C . 17558 1 100 . 1 1 12 12 VAL CA C 13 67.683 0.2 . 1 . . . A 12 VAL CA . 17558 1 101 . 1 1 12 12 VAL CB C 13 32.070 0.2 . 1 . . . A 12 VAL CB . 17558 1 102 . 1 1 12 12 VAL CG1 C 13 22.881 0.2 . 2 . . . A 12 VAL CG1 . 17558 1 103 . 1 1 12 12 VAL CG2 C 13 21.318 0.2 . 2 . . . A 12 VAL CG2 . 17558 1 104 . 1 1 12 12 VAL N N 15 117.423 0.2 . 1 . . . A 12 VAL N . 17558 1 105 . 1 1 13 13 VAL H H 1 7.679 0.02 . 1 . . . A 13 VAL H . 17558 1 106 . 1 1 13 13 VAL HA H 1 3.499 0.02 . 1 . . . A 13 VAL HA . 17558 1 107 . 1 1 13 13 VAL HB H 1 2.003 0.02 . 1 . . . A 13 VAL HB . 17558 1 108 . 1 1 13 13 VAL HG11 H 1 0.973 0.02 . 2 . . . A 13 VAL HG11 . 17558 1 109 . 1 1 13 13 VAL HG12 H 1 0.973 0.02 . 2 . . . A 13 VAL HG12 . 17558 1 110 . 1 1 13 13 VAL HG13 H 1 0.973 0.02 . 2 . . . A 13 VAL HG13 . 17558 1 111 . 1 1 13 13 VAL HG21 H 1 0.834 0.02 . 2 . . . A 13 VAL HG21 . 17558 1 112 . 1 1 13 13 VAL HG22 H 1 0.834 0.02 . 2 . . . A 13 VAL HG22 . 17558 1 113 . 1 1 13 13 VAL HG23 H 1 0.834 0.02 . 2 . . . A 13 VAL HG23 . 17558 1 114 . 1 1 13 13 VAL C C 13 177.998 0.2 . 1 . . . A 13 VAL C . 17558 1 115 . 1 1 13 13 VAL CA C 13 67.952 0.2 . 1 . . . A 13 VAL CA . 17558 1 116 . 1 1 13 13 VAL CB C 13 32.216 0.2 . 1 . . . A 13 VAL CB . 17558 1 117 . 1 1 13 13 VAL CG1 C 13 22.685 0.2 . 2 . . . A 13 VAL CG1 . 17558 1 118 . 1 1 13 13 VAL CG2 C 13 21.318 0.2 . 2 . . . A 13 VAL CG2 . 17558 1 119 . 1 1 13 13 VAL N N 15 117.519 0.2 . 1 . . . A 13 VAL N . 17558 1 120 . 1 1 14 14 GLY H H 1 9.134 0.02 . 1 . . . A 14 GLY H . 17558 1 121 . 1 1 14 14 GLY HA2 H 1 3.611 0.02 . 2 . . . A 14 GLY HA2 . 17558 1 122 . 1 1 14 14 GLY HA3 H 1 3.999 0.02 . 2 . . . A 14 GLY HA3 . 17558 1 123 . 1 1 14 14 GLY C C 13 175.640 0.2 . 1 . . . A 14 GLY C . 17558 1 124 . 1 1 14 14 GLY CA C 13 47.493 0.2 . 1 . . . A 14 GLY CA . 17558 1 125 . 1 1 14 14 GLY N N 15 105.995 0.2 . 1 . . . A 14 GLY N . 17558 1 126 . 1 1 15 15 GLY H H 1 8.635 0.02 . 1 . . . A 15 GLY H . 17558 1 127 . 1 1 15 15 GLY HA2 H 1 3.465 0.02 . 2 . . . A 15 GLY HA2 . 17558 1 128 . 1 1 15 15 GLY HA3 H 1 4.029 0.02 . 2 . . . A 15 GLY HA3 . 17558 1 129 . 1 1 15 15 GLY C C 13 175.562 0.2 . 1 . . . A 15 GLY C . 17558 1 130 . 1 1 15 15 GLY CA C 13 47.876 0.2 . 1 . . . A 15 GLY CA . 17558 1 131 . 1 1 15 15 GLY N N 15 111.347 0.2 . 1 . . . A 15 GLY N . 17558 1 132 . 1 1 16 16 LEU H H 1 8.137 0.02 . 1 . . . A 16 LEU H . 17558 1 133 . 1 1 16 16 LEU HA H 1 4.096 0.02 . 1 . . . A 16 LEU HA . 17558 1 134 . 1 1 16 16 LEU HB2 H 1 1.587 0.02 . 2 . . . A 16 LEU HB2 . 17558 1 135 . 1 1 16 16 LEU HB3 H 1 1.844 0.02 . 2 . . . A 16 LEU HB3 . 17558 1 136 . 1 1 16 16 LEU HG H 1 1.817 0.02 . 1 . . . A 16 LEU HG . 17558 1 137 . 1 1 16 16 LEU HD11 H 1 0.815 0.02 . 2 . . . A 16 LEU HD11 . 17558 1 138 . 1 1 16 16 LEU HD12 H 1 0.815 0.02 . 2 . . . A 16 LEU HD12 . 17558 1 139 . 1 1 16 16 LEU HD13 H 1 0.815 0.02 . 2 . . . A 16 LEU HD13 . 17558 1 140 . 1 1 16 16 LEU HD21 H 1 0.858 0.02 . 2 . . . A 16 LEU HD21 . 17558 1 141 . 1 1 16 16 LEU HD22 H 1 0.858 0.02 . 2 . . . A 16 LEU HD22 . 17558 1 142 . 1 1 16 16 LEU HD23 H 1 0.858 0.02 . 2 . . . A 16 LEU HD23 . 17558 1 143 . 1 1 16 16 LEU C C 13 179.090 0.2 . 1 . . . A 16 LEU C . 17558 1 144 . 1 1 16 16 LEU CA C 13 58.910 0.2 . 1 . . . A 16 LEU CA . 17558 1 145 . 1 1 16 16 LEU CB C 13 42.543 0.2 . 1 . . . A 16 LEU CB . 17558 1 146 . 1 1 16 16 LEU CG C 13 27.019 0.2 . 1 . . . A 16 LEU CG . 17558 1 147 . 1 1 16 16 LEU CD1 C 13 24.373 0.2 . 2 . . . A 16 LEU CD1 . 17558 1 148 . 1 1 16 16 LEU CD2 C 13 24.987 0.2 . 2 . . . A 16 LEU CD2 . 17558 1 149 . 1 1 16 16 LEU N N 15 121.900 0.2 . 1 . . . A 16 LEU N . 17558 1 150 . 1 1 17 17 GLY H H 1 8.412 0.02 . 1 . . . A 17 GLY H . 17558 1 151 . 1 1 17 17 GLY HA2 H 1 3.548 0.02 . 2 . . . A 17 GLY HA2 . 17558 1 152 . 1 1 17 17 GLY HA3 H 1 3.730 0.02 . 2 . . . A 17 GLY HA3 . 17558 1 153 . 1 1 17 17 GLY C C 13 175.280 0.2 . 1 . . . A 17 GLY C . 17558 1 154 . 1 1 17 17 GLY CA C 13 48.659 0.2 . 1 . . . A 17 GLY CA . 17558 1 155 . 1 1 17 17 GLY N N 15 105.660 0.2 . 1 . . . A 17 GLY N . 17558 1 156 . 1 1 18 18 GLY H H 1 9.719 0.02 . 1 . . . A 18 GLY H . 17558 1 157 . 1 1 18 18 GLY HA2 H 1 3.788 0.02 . 2 . . . A 18 GLY HA2 . 17558 1 158 . 1 1 18 18 GLY HA3 H 1 4.409 0.02 . 2 . . . A 18 GLY HA3 . 17558 1 159 . 1 1 18 18 GLY C C 13 175.418 0.2 . 1 . . . A 18 GLY C . 17558 1 160 . 1 1 18 18 GLY CA C 13 48.225 0.2 . 1 . . . A 18 GLY CA . 17558 1 161 . 1 1 18 18 GLY N N 15 109.701 0.2 . 1 . . . A 18 GLY N . 17558 1 162 . 1 1 19 19 TYR H H 1 8.690 0.02 . 1 . . . A 19 TYR H . 17558 1 163 . 1 1 19 19 TYR HA H 1 4.093 0.02 . 1 . . . A 19 TYR HA . 17558 1 164 . 1 1 19 19 TYR HB2 H 1 3.000 0.02 . 2 . . . A 19 TYR HB2 . 17558 1 165 . 1 1 19 19 TYR HB3 H 1 3.148 0.02 . 2 . . . A 19 TYR HB3 . 17558 1 166 . 1 1 19 19 TYR HD2 H 1 7.084 0.02 . 2 . . . A 19 TYR HD2 . 17558 1 167 . 1 1 19 19 TYR HE2 H 1 6.790 0.02 . 2 . . . A 19 TYR HE2 . 17558 1 168 . 1 1 19 19 TYR C C 13 179.066 0.2 . 1 . . . A 19 TYR C . 17558 1 169 . 1 1 19 19 TYR CA C 13 62.680 0.2 . 1 . . . A 19 TYR CA . 17558 1 170 . 1 1 19 19 TYR CB C 13 39.781 0.2 . 1 . . . A 19 TYR CB . 17558 1 171 . 1 1 19 19 TYR CD2 C 13 132.523 0.2 . 2 . . . A 19 TYR CD2 . 17558 1 172 . 1 1 19 19 TYR CE2 C 13 117.902 0.2 . 2 . . . A 19 TYR CE2 . 17558 1 173 . 1 1 19 19 TYR N N 15 123.066 0.2 . 1 . . . A 19 TYR N . 17558 1 174 . 1 1 20 20 MET H H 1 8.367 0.02 . 1 . . . A 20 MET H . 17558 1 175 . 1 1 20 20 MET HA H 1 3.980 0.02 . 1 . . . A 20 MET HA . 17558 1 176 . 1 1 20 20 MET HB2 H 1 2.050 0.02 . 2 . . . A 20 MET HB2 . 17558 1 177 . 1 1 20 20 MET HB3 H 1 2.376 0.02 . 2 . . . A 20 MET HB3 . 17558 1 178 . 1 1 20 20 MET HE1 H 1 2.073 0.02 . 1 . . . A 20 MET HE1 . 17558 1 179 . 1 1 20 20 MET HE2 H 1 2.073 0.02 . 1 . . . A 20 MET HE2 . 17558 1 180 . 1 1 20 20 MET HE3 H 1 2.073 0.02 . 1 . . . A 20 MET HE3 . 17558 1 181 . 1 1 20 20 MET C C 13 178.549 0.2 . 1 . . . A 20 MET C . 17558 1 182 . 1 1 20 20 MET CA C 13 59.630 0.2 . 1 . . . A 20 MET CA . 17558 1 183 . 1 1 20 20 MET CB C 13 32.807 0.2 . 1 . . . A 20 MET CB . 17558 1 184 . 1 1 20 20 MET CE C 13 17.433 0.2 . 1 . . . A 20 MET CE . 17558 1 185 . 1 1 20 20 MET N N 15 119.540 0.2 . 1 . . . A 20 MET N . 17558 1 186 . 1 1 21 21 LEU H H 1 8.329 0.02 . 1 . . . A 21 LEU H . 17558 1 187 . 1 1 21 21 LEU HA H 1 4.111 0.02 . 1 . . . A 21 LEU HA . 17558 1 188 . 1 1 21 21 LEU HB2 H 1 1.850 0.02 . 2 . . . A 21 LEU HB2 . 17558 1 189 . 1 1 21 21 LEU HB3 H 1 1.881 0.02 . 2 . . . A 21 LEU HB3 . 17558 1 190 . 1 1 21 21 LEU HG H 1 1.560 0.02 . 1 . . . A 21 LEU HG . 17558 1 191 . 1 1 21 21 LEU HD11 H 1 0.942 0.02 . 2 . . . A 21 LEU HD11 . 17558 1 192 . 1 1 21 21 LEU HD12 H 1 0.942 0.02 . 2 . . . A 21 LEU HD12 . 17558 1 193 . 1 1 21 21 LEU HD13 H 1 0.942 0.02 . 2 . . . A 21 LEU HD13 . 17558 1 194 . 1 1 21 21 LEU HD21 H 1 0.923 0.02 . 2 . . . A 21 LEU HD21 . 17558 1 195 . 1 1 21 21 LEU HD22 H 1 0.923 0.02 . 2 . . . A 21 LEU HD22 . 17558 1 196 . 1 1 21 21 LEU HD23 H 1 0.923 0.02 . 2 . . . A 21 LEU HD23 . 17558 1 197 . 1 1 21 21 LEU C C 13 178.592 0.2 . 1 . . . A 21 LEU C . 17558 1 198 . 1 1 21 21 LEU CA C 13 58.791 0.2 . 1 . . . A 21 LEU CA . 17558 1 199 . 1 1 21 21 LEU CB C 13 43.000 0.2 . 1 . . . A 21 LEU CB . 17558 1 200 . 1 1 21 21 LEU CG C 13 27.400 0.2 . 1 . . . A 21 LEU CG . 17558 1 201 . 1 1 21 21 LEU CD1 C 13 24.696 0.2 . 2 . . . A 21 LEU CD1 . 17558 1 202 . 1 1 21 21 LEU CD2 C 13 25.266 0.2 . 2 . . . A 21 LEU CD2 . 17558 1 203 . 1 1 21 21 LEU N N 15 119.740 0.2 . 1 . . . A 21 LEU N . 17558 1 204 . 1 1 22 22 GLY H H 1 9.027 0.02 . 1 . . . A 22 GLY H . 17558 1 205 . 1 1 22 22 GLY HA2 H 1 3.270 0.02 . 2 . . . A 22 GLY HA2 . 17558 1 206 . 1 1 22 22 GLY C C 13 174.857 0.2 . 1 . . . A 22 GLY C . 17558 1 207 . 1 1 22 22 GLY CA C 13 47.693 0.2 . 1 . . . A 22 GLY CA . 17558 1 208 . 1 1 22 22 GLY N N 15 106.769 0.2 . 1 . . . A 22 GLY N . 17558 1 209 . 1 1 23 23 SER H H 1 7.893 0.02 . 1 . . . A 23 SER H . 17558 1 210 . 1 1 23 23 SER HA H 1 3.975 0.02 . 1 . . . A 23 SER HA . 17558 1 211 . 1 1 23 23 SER HB2 H 1 3.422 0.02 . 2 . . . A 23 SER HB2 . 17558 1 212 . 1 1 23 23 SER HB3 H 1 3.666 0.02 . 2 . . . A 23 SER HB3 . 17558 1 213 . 1 1 23 23 SER C C 13 175.751 0.2 . 1 . . . A 23 SER C . 17558 1 214 . 1 1 23 23 SER CA C 13 60.879 0.2 . 1 . . . A 23 SER CA . 17558 1 215 . 1 1 23 23 SER CB C 13 63.977 0.2 . 1 . . . A 23 SER CB . 17558 1 216 . 1 1 23 23 SER N N 15 114.334 0.2 . 1 . . . A 23 SER N . 17558 1 217 . 1 1 24 24 ALA H H 1 7.579 0.02 . 1 . . . A 24 ALA H . 17558 1 218 . 1 1 24 24 ALA HA H 1 4.175 0.02 . 1 . . . A 24 ALA HA . 17558 1 219 . 1 1 24 24 ALA HB1 H 1 1.480 0.02 . 1 . . . A 24 ALA HB1 . 17558 1 220 . 1 1 24 24 ALA HB2 H 1 1.480 0.02 . 1 . . . A 24 ALA HB2 . 17558 1 221 . 1 1 24 24 ALA HB3 H 1 1.480 0.02 . 1 . . . A 24 ALA HB3 . 17558 1 222 . 1 1 24 24 ALA C C 13 178.717 0.2 . 1 . . . A 24 ALA C . 17558 1 223 . 1 1 24 24 ALA CA C 13 54.613 0.2 . 1 . . . A 24 ALA CA . 17558 1 224 . 1 1 24 24 ALA CB C 13 19.523 0.2 . 1 . . . A 24 ALA CB . 17558 1 225 . 1 1 24 24 ALA N N 15 123.192 0.2 . 1 . . . A 24 ALA N . 17558 1 226 . 1 1 25 25 MET H H 1 7.905 0.02 . 1 . . . A 25 MET H . 17558 1 227 . 1 1 25 25 MET HA H 1 4.418 0.02 . 1 . . . A 25 MET HA . 17558 1 228 . 1 1 25 25 MET HB2 H 1 2.181 0.02 . 2 . . . A 25 MET HB2 . 17558 1 229 . 1 1 25 25 MET HB3 H 1 2.724 0.02 . 2 . . . A 25 MET HB3 . 17558 1 230 . 1 1 25 25 MET HE1 H 1 2.169 0.02 . 1 . . . A 25 MET HE1 . 17558 1 231 . 1 1 25 25 MET HE2 H 1 2.169 0.02 . 1 . . . A 25 MET HE2 . 17558 1 232 . 1 1 25 25 MET HE3 H 1 2.169 0.02 . 1 . . . A 25 MET HE3 . 17558 1 233 . 1 1 25 25 MET C C 13 176.479 0.2 . 1 . . . A 25 MET C . 17558 1 234 . 1 1 25 25 MET CA C 13 56.754 0.2 . 1 . . . A 25 MET CA . 17558 1 235 . 1 1 25 25 MET CB C 13 28.852 0.2 . 1 . . . A 25 MET CB . 17558 1 236 . 1 1 25 25 MET CE C 13 17.539 0.2 . 1 . . . A 25 MET CE . 17558 1 237 . 1 1 25 25 MET N N 15 115.187 0.2 . 1 . . . A 25 MET N . 17558 1 238 . 1 1 26 26 SER H H 1 7.710 0.02 . 1 . . . A 26 SER H . 17558 1 239 . 1 1 26 26 SER HA H 1 4.419 0.02 . 1 . . . A 26 SER HA . 17558 1 240 . 1 1 26 26 SER HB2 H 1 3.839 0.02 . 2 . . . A 26 SER HB2 . 17558 1 241 . 1 1 26 26 SER C C 13 173.350 0.2 . 1 . . . A 26 SER C . 17558 1 242 . 1 1 26 26 SER CA C 13 59.343 0.2 . 1 . . . A 26 SER CA . 17558 1 243 . 1 1 26 26 SER CB C 13 62.573 0.2 . 1 . . . A 26 SER CB . 17558 1 244 . 1 1 26 26 SER N N 15 124.236 0.2 . 1 . . . A 26 SER N . 17558 1 245 . 1 1 27 27 ARG H H 1 7.592 0.02 . 1 . . . A 27 ARG H . 17558 1 246 . 1 1 27 27 ARG HA H 1 4.020 0.02 . 1 . . . A 27 ARG HA . 17558 1 247 . 1 1 27 27 ARG HB2 H 1 1.700 0.02 . 2 . . . A 27 ARG HB2 . 17558 1 248 . 1 1 27 27 ARG HB3 H 1 1.825 0.02 . 2 . . . A 27 ARG HB3 . 17558 1 249 . 1 1 27 27 ARG HG2 H 1 1.560 0.02 . 2 . . . A 27 ARG HG2 . 17558 1 250 . 1 1 27 27 ARG HG3 H 1 1.636 0.02 . 2 . . . A 27 ARG HG3 . 17558 1 251 . 1 1 27 27 ARG HD2 H 1 3.150 0.02 . 2 . . . A 27 ARG HD2 . 17558 1 252 . 1 1 27 27 ARG CA C 13 58.570 0.2 . 1 . . . A 27 ARG CA . 17558 1 253 . 1 1 27 27 ARG CB C 13 32.108 0.2 . 1 . . . A 27 ARG CB . 17558 1 254 . 1 1 27 27 ARG CG C 13 29.400 0.2 . 1 . . . A 27 ARG CG . 17558 1 255 . 1 1 27 27 ARG CD C 13 43.587 0.2 . 1 . . . A 27 ARG CD . 17558 1 256 . 1 1 27 27 ARG N N 15 127.023 0.2 . 1 . . . A 27 ARG N . 17558 1 stop_ save_