################################### # 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 30312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 HSQC' . . . 30312 1 2 '2D 1H-13C HSQC aliphatic' . . . 30312 1 3 '2D 1H-13C HSQC aromatic' . . . 30312 1 4 '3D HNCO' . . . 30312 1 5 '3D CBCA(CO)NH' . . . 30312 1 6 '3D 15N/13Caliphatic/13Caromatic-edited [1H,1H]-NOESY' . . . 30312 1 7 'GFT 4,3D HCCH-COSY' . . . 30312 1 8 '3D HCCH-TOCSY' . . . 30312 1 9 '3D HBHA(CO)NH' . . . 30312 1 10 '3D HNCACB' . . . 30312 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 1 1 SER HA H 1 4.324 0.030 . 1 . . . . A 1 SER HA . 30312 1 2 . 1 . 1 1 1 SER HB2 H 1 4.247 0.030 . 2 . . . . A 1 SER HB2 . 30312 1 3 . 1 . 1 1 1 SER HB3 H 1 4.097 0.030 . 2 . . . . A 1 SER HB3 . 30312 1 4 . 1 . 1 1 1 SER C C 13 171.681 0.500 . 1 . . . . A 1 SER C . 30312 1 5 . 1 . 1 1 1 SER CA C 13 56.822 0.500 . 1 . . . . A 1 SER CA . 30312 1 6 . 1 . 1 1 1 SER CB C 13 63.616 0.500 . 1 . . . . A 1 SER CB . 30312 1 7 . 1 . 1 2 2 GLN H H 1 9.185 0.030 . 1 . . . . A 2 GLN H . 30312 1 8 . 1 . 1 2 2 GLN HA H 1 4.272 0.030 . 1 . . . . A 2 GLN HA . 30312 1 9 . 1 . 1 2 2 GLN HB2 H 1 2.143 0.030 . 2 . . . . A 2 GLN HB2 . 30312 1 10 . 1 . 1 2 2 GLN HB3 H 1 2.090 0.030 . 2 . . . . A 2 GLN HB3 . 30312 1 11 . 1 . 1 2 2 GLN HG2 H 1 2.423 0.030 . 2 . . . . A 2 GLN HG2 . 30312 1 12 . 1 . 1 2 2 GLN HG3 H 1 2.423 0.030 . 2 . . . . A 2 GLN HG3 . 30312 1 13 . 1 . 1 2 2 GLN HE21 H 1 6.911 0.030 . 2 . . . . A 2 GLN HE21 . 30312 1 14 . 1 . 1 2 2 GLN HE22 H 1 7.577 0.030 . 2 . . . . A 2 GLN HE22 . 30312 1 15 . 1 . 1 2 2 GLN C C 13 176.868 0.500 . 1 . . . . A 2 GLN C . 30312 1 16 . 1 . 1 2 2 GLN CA C 13 57.494 0.500 . 1 . . . . A 2 GLN CA . 30312 1 17 . 1 . 1 2 2 GLN CB C 13 28.652 0.500 . 1 . . . . A 2 GLN CB . 30312 1 18 . 1 . 1 2 2 GLN CG C 13 33.568 0.500 . 1 . . . . A 2 GLN CG . 30312 1 19 . 1 . 1 2 2 GLN N N 15 121.028 0.500 . 1 . . . . A 2 GLN N . 30312 1 20 . 1 . 1 2 2 GLN NE2 N 15 112.082 0.500 . 1 . . . . A 2 GLN NE2 . 30312 1 21 . 1 . 1 3 3 GLU H H 1 8.702 0.030 . 1 . . . . A 3 GLU H . 30312 1 22 . 1 . 1 3 3 GLU HA H 1 4.225 0.030 . 1 . . . . A 3 GLU HA . 30312 1 23 . 1 . 1 3 3 GLU HB2 H 1 2.051 0.030 . 2 . . . . A 3 GLU HB2 . 30312 1 24 . 1 . 1 3 3 GLU HB3 H 1 2.051 0.030 . 2 . . . . A 3 GLU HB3 . 30312 1 25 . 1 . 1 3 3 GLU HG2 H 1 2.353 0.030 . 2 . . . . A 3 GLU HG2 . 30312 1 26 . 1 . 1 3 3 GLU HG3 H 1 2.353 0.030 . 2 . . . . A 3 GLU HG3 . 30312 1 27 . 1 . 1 3 3 GLU C C 13 178.143 0.500 . 1 . . . . A 3 GLU C . 30312 1 28 . 1 . 1 3 3 GLU CA C 13 58.315 0.500 . 1 . . . . A 3 GLU CA . 30312 1 29 . 1 . 1 3 3 GLU CB C 13 29.314 0.500 . 1 . . . . A 3 GLU CB . 30312 1 30 . 1 . 1 3 3 GLU CG C 13 35.899 0.500 . 1 . . . . A 3 GLU CG . 30312 1 31 . 1 . 1 3 3 GLU N N 15 120.974 0.500 . 1 . . . . A 3 GLU N . 30312 1 32 . 1 . 1 4 4 THR H H 1 8.143 0.030 . 1 . . . . A 4 THR H . 30312 1 33 . 1 . 1 4 4 THR HA H 1 4.124 0.030 . 1 . . . . A 4 THR HA . 30312 1 34 . 1 . 1 4 4 THR HB H 1 4.270 0.030 . 1 . . . . A 4 THR HB . 30312 1 35 . 1 . 1 4 4 THR HG21 H 1 1.191 0.030 . 1 . . . . A 4 THR HG21 . 30312 1 36 . 1 . 1 4 4 THR HG22 H 1 1.191 0.030 . 1 . . . . A 4 THR HG22 . 30312 1 37 . 1 . 1 4 4 THR HG23 H 1 1.191 0.030 . 1 . . . . A 4 THR HG23 . 30312 1 38 . 1 . 1 4 4 THR C C 13 176.286 0.500 . 1 . . . . A 4 THR C . 30312 1 39 . 1 . 1 4 4 THR CA C 13 64.380 0.500 . 1 . . . . A 4 THR CA . 30312 1 40 . 1 . 1 4 4 THR CB C 13 68.475 0.500 . 1 . . . . A 4 THR CB . 30312 1 41 . 1 . 1 4 4 THR CG2 C 13 21.929 0.500 . 1 . . . . A 4 THR CG2 . 30312 1 42 . 1 . 1 4 4 THR N N 15 115.149 0.500 . 1 . . . . A 4 THR N . 30312 1 43 . 1 . 1 5 5 ARG H H 1 8.288 0.030 . 1 . . . . A 5 ARG H . 30312 1 44 . 1 . 1 5 5 ARG HA H 1 4.188 0.030 . 1 . . . . A 5 ARG HA . 30312 1 45 . 1 . 1 5 5 ARG HB2 H 1 1.913 0.030 . 2 . . . . A 5 ARG HB2 . 30312 1 46 . 1 . 1 5 5 ARG HB3 H 1 1.913 0.030 . 2 . . . . A 5 ARG HB3 . 30312 1 47 . 1 . 1 5 5 ARG HG2 H 1 1.766 0.030 . 2 . . . . A 5 ARG HG2 . 30312 1 48 . 1 . 1 5 5 ARG HG3 H 1 1.643 0.030 . 2 . . . . A 5 ARG HG3 . 30312 1 49 . 1 . 1 5 5 ARG HD2 H 1 3.233 0.030 . 2 . . . . A 5 ARG HD2 . 30312 1 50 . 1 . 1 5 5 ARG HD3 H 1 3.194 0.030 . 2 . . . . A 5 ARG HD3 . 30312 1 51 . 1 . 1 5 5 ARG HE H 1 7.397 0.030 . 1 . . . . A 5 ARG HE . 30312 1 52 . 1 . 1 5 5 ARG C C 13 178.045 0.500 . 1 . . . . A 5 ARG C . 30312 1 53 . 1 . 1 5 5 ARG CA C 13 58.412 0.500 . 1 . . . . A 5 ARG CA . 30312 1 54 . 1 . 1 5 5 ARG CB C 13 29.966 0.500 . 1 . . . . A 5 ARG CB . 30312 1 55 . 1 . 1 5 5 ARG CG C 13 27.277 0.500 . 1 . . . . A 5 ARG CG . 30312 1 56 . 1 . 1 5 5 ARG CD C 13 43.258 0.500 . 1 . . . . A 5 ARG CD . 30312 1 57 . 1 . 1 5 5 ARG N N 15 123.347 0.500 . 1 . . . . A 5 ARG N . 30312 1 58 . 1 . 1 5 5 ARG NE N 15 84.510 0.500 . 1 . . . . A 5 ARG NE . 30312 1 59 . 1 . 1 6 6 LYS H H 1 8.143 0.030 . 1 . . . . A 6 LYS H . 30312 1 60 . 1 . 1 6 6 LYS HA H 1 4.150 0.030 . 1 . . . . A 6 LYS HA . 30312 1 61 . 1 . 1 6 6 LYS HB2 H 1 1.912 0.030 . 2 . . . . A 6 LYS HB2 . 30312 1 62 . 1 . 1 6 6 LYS HB3 H 1 1.912 0.030 . 2 . . . . A 6 LYS HB3 . 30312 1 63 . 1 . 1 6 6 LYS HG2 H 1 1.539 0.030 . 2 . . . . A 6 LYS HG2 . 30312 1 64 . 1 . 1 6 6 LYS HG3 H 1 1.423 0.030 . 2 . . . . A 6 LYS HG3 . 30312 1 65 . 1 . 1 6 6 LYS HD2 H 1 1.713 0.030 . 2 . . . . A 6 LYS HD2 . 30312 1 66 . 1 . 1 6 6 LYS HD3 H 1 1.713 0.030 . 2 . . . . A 6 LYS HD3 . 30312 1 67 . 1 . 1 6 6 LYS HE2 H 1 2.953 0.030 . 2 . . . . A 6 LYS HE2 . 30312 1 68 . 1 . 1 6 6 LYS HE3 H 1 2.953 0.030 . 2 . . . . A 6 LYS HE3 . 30312 1 69 . 1 . 1 6 6 LYS C C 13 178.052 0.500 . 1 . . . . A 6 LYS C . 30312 1 70 . 1 . 1 6 6 LYS CA C 13 58.732 0.500 . 1 . . . . A 6 LYS CA . 30312 1 71 . 1 . 1 6 6 LYS CB C 13 32.506 0.500 . 1 . . . . A 6 LYS CB . 30312 1 72 . 1 . 1 6 6 LYS CG C 13 24.890 0.500 . 1 . . . . A 6 LYS CG . 30312 1 73 . 1 . 1 6 6 LYS CD C 13 29.125 0.500 . 1 . . . . A 6 LYS CD . 30312 1 74 . 1 . 1 6 6 LYS CE C 13 41.756 0.500 . 1 . . . . A 6 LYS CE . 30312 1 75 . 1 . 1 6 6 LYS N N 15 121.460 0.500 . 1 . . . . A 6 LYS N . 30312 1 76 . 1 . 1 7 7 LYS H H 1 8.095 0.030 . 1 . . . . A 7 LYS H . 30312 1 77 . 1 . 1 7 7 LYS HA H 1 4.152 0.030 . 1 . . . . A 7 LYS HA . 30312 1 78 . 1 . 1 7 7 LYS HB2 H 1 1.905 0.030 . 2 . . . . A 7 LYS HB2 . 30312 1 79 . 1 . 1 7 7 LYS HB3 H 1 1.875 0.030 . 2 . . . . A 7 LYS HB3 . 30312 1 80 . 1 . 1 7 7 LYS HG2 H 1 1.549 0.030 . 2 . . . . A 7 LYS HG2 . 30312 1 81 . 1 . 1 7 7 LYS HG3 H 1 1.418 0.030 . 2 . . . . A 7 LYS HG3 . 30312 1 82 . 1 . 1 7 7 LYS HD2 H 1 1.719 0.030 . 2 . . . . A 7 LYS HD2 . 30312 1 83 . 1 . 1 7 7 LYS HD3 H 1 1.719 0.030 . 2 . . . . A 7 LYS HD3 . 30312 1 84 . 1 . 1 7 7 LYS HE2 H 1 2.978 0.030 . 2 . . . . A 7 LYS HE2 . 30312 1 85 . 1 . 1 7 7 LYS HE3 H 1 2.978 0.030 . 2 . . . . A 7 LYS HE3 . 30312 1 86 . 1 . 1 7 7 LYS C C 13 178.155 0.500 . 1 . . . . A 7 LYS C . 30312 1 87 . 1 . 1 7 7 LYS CA C 13 58.732 0.500 . 1 . . . . A 7 LYS CA . 30312 1 88 . 1 . 1 7 7 LYS CB C 13 32.136 0.500 . 1 . . . . A 7 LYS CB . 30312 1 89 . 1 . 1 7 7 LYS CG C 13 24.957 0.500 . 1 . . . . A 7 LYS CG . 30312 1 90 . 1 . 1 7 7 LYS CD C 13 29.229 0.500 . 1 . . . . A 7 LYS CD . 30312 1 91 . 1 . 1 7 7 LYS CE C 13 41.930 0.500 . 1 . . . . A 7 LYS CE . 30312 1 92 . 1 . 1 7 7 LYS N N 15 120.165 0.500 . 1 . . . . A 7 LYS N . 30312 1 93 . 1 . 1 8 8 CYS H H 1 8.294 0.030 . 1 . . . . A 8 CYS H . 30312 1 94 . 1 . 1 8 8 CYS HA H 1 4.096 0.030 . 1 . . . . A 8 CYS HA . 30312 1 95 . 1 . 1 8 8 CYS HB2 H 1 3.319 0.030 . 2 . . . . A 8 CYS HB2 . 30312 1 96 . 1 . 1 8 8 CYS HB3 H 1 3.319 0.030 . 2 . . . . A 8 CYS HB3 . 30312 1 97 . 1 . 1 8 8 CYS C C 13 176.147 0.500 . 1 . . . . A 8 CYS C . 30312 1 98 . 1 . 1 8 8 CYS CA C 13 59.331 0.500 . 1 . . . . A 8 CYS CA . 30312 1 99 . 1 . 1 8 8 CYS CB C 13 39.690 0.500 . 1 . . . . A 8 CYS CB . 30312 1 100 . 1 . 1 8 8 CYS N N 15 117.846 0.500 . 1 . . . . A 8 CYS N . 30312 1 101 . 1 . 1 9 9 THR H H 1 8.149 0.030 . 1 . . . . A 9 THR H . 30312 1 102 . 1 . 1 9 9 THR HA H 1 3.816 0.030 . 1 . . . . A 9 THR HA . 30312 1 103 . 1 . 1 9 9 THR HB H 1 4.301 0.030 . 1 . . . . A 9 THR HB . 30312 1 104 . 1 . 1 9 9 THR HG21 H 1 1.282 0.030 . 1 . . . . A 9 THR HG21 . 30312 1 105 . 1 . 1 9 9 THR HG22 H 1 1.282 0.030 . 1 . . . . A 9 THR HG22 . 30312 1 106 . 1 . 1 9 9 THR HG23 H 1 1.282 0.030 . 1 . . . . A 9 THR HG23 . 30312 1 107 . 1 . 1 9 9 THR C C 13 176.835 0.500 . 1 . . . . A 9 THR C . 30312 1 108 . 1 . 1 9 9 THR CA C 13 66.570 0.500 . 1 . . . . A 9 THR CA . 30312 1 109 . 1 . 1 9 9 THR CB C 13 68.568 0.500 . 1 . . . . A 9 THR CB . 30312 1 110 . 1 . 1 9 9 THR CG2 C 13 21.809 0.500 . 1 . . . . A 9 THR CG2 . 30312 1 111 . 1 . 1 9 9 THR N N 15 114.664 0.500 . 1 . . . . A 9 THR N . 30312 1 112 . 1 . 1 10 10 GLU H H 1 8.272 0.030 . 1 . . . . A 10 GLU H . 30312 1 113 . 1 . 1 10 10 GLU HA H 1 4.032 0.030 . 1 . . . . A 10 GLU HA . 30312 1 114 . 1 . 1 10 10 GLU HB2 H 1 2.213 0.030 . 2 . . . . A 10 GLU HB2 . 30312 1 115 . 1 . 1 10 10 GLU HB3 H 1 2.093 0.030 . 2 . . . . A 10 GLU HB3 . 30312 1 116 . 1 . 1 10 10 GLU HG2 H 1 2.415 0.030 . 2 . . . . A 10 GLU HG2 . 30312 1 117 . 1 . 1 10 10 GLU HG3 H 1 2.296 0.030 . 2 . . . . A 10 GLU HG3 . 30312 1 118 . 1 . 1 10 10 GLU C C 13 179.890 0.500 . 1 . . . . A 10 GLU C . 30312 1 119 . 1 . 1 10 10 GLU CA C 13 59.187 0.500 . 1 . . . . A 10 GLU CA . 30312 1 120 . 1 . 1 10 10 GLU CB C 13 29.089 0.500 . 1 . . . . A 10 GLU CB . 30312 1 121 . 1 . 1 10 10 GLU CG C 13 35.813 0.500 . 1 . . . . A 10 GLU CG . 30312 1 122 . 1 . 1 10 10 GLU N N 15 121.082 0.500 . 1 . . . . A 10 GLU N . 30312 1 123 . 1 . 1 11 11 MET H H 1 8.412 0.030 . 1 . . . . A 11 MET H . 30312 1 124 . 1 . 1 11 11 MET HA H 1 4.544 0.030 . 1 . . . . A 11 MET HA . 30312 1 125 . 1 . 1 11 11 MET HB2 H 1 2.412 0.030 . 1 . . . . A 11 MET HB2 . 30312 1 126 . 1 . 1 11 11 MET HB3 H 1 1.905 0.030 . 1 . . . . A 11 MET HB3 . 30312 1 127 . 1 . 1 11 11 MET HG2 H 1 2.900 0.030 . 2 . . . . A 11 MET HG2 . 30312 1 128 . 1 . 1 11 11 MET HG3 H 1 2.693 0.030 . 2 . . . . A 11 MET HG3 . 30312 1 129 . 1 . 1 11 11 MET HE1 H 1 2.065 0.030 . 1 . . . . A 11 MET HE1 . 30312 1 130 . 1 . 1 11 11 MET HE2 H 1 2.065 0.030 . 1 . . . . A 11 MET HE2 . 30312 1 131 . 1 . 1 11 11 MET HE3 H 1 2.065 0.030 . 1 . . . . A 11 MET HE3 . 30312 1 132 . 1 . 1 11 11 MET C C 13 178.255 0.500 . 1 . . . . A 11 MET C . 30312 1 133 . 1 . 1 11 11 MET CA C 13 57.449 0.500 . 1 . . . . A 11 MET CA . 30312 1 134 . 1 . 1 11 11 MET CB C 13 32.906 0.500 . 1 . . . . A 11 MET CB . 30312 1 135 . 1 . 1 11 11 MET CG C 13 33.192 0.500 . 1 . . . . A 11 MET CG . 30312 1 136 . 1 . 1 11 11 MET CE C 13 18.963 0.500 . 1 . . . . A 11 MET CE . 30312 1 137 . 1 . 1 11 11 MET N N 15 118.817 0.500 . 1 . . . . A 11 MET N . 30312 1 138 . 1 . 1 12 12 LYS H H 1 8.340 0.030 . 1 . . . . A 12 LYS H . 30312 1 139 . 1 . 1 12 12 LYS HA H 1 3.989 0.030 . 1 . . . . A 12 LYS HA . 30312 1 140 . 1 . 1 12 12 LYS HB2 H 1 1.960 0.030 . 2 . . . . A 12 LYS HB2 . 30312 1 141 . 1 . 1 12 12 LYS HB3 H 1 1.900 0.030 . 2 . . . . A 12 LYS HB3 . 30312 1 142 . 1 . 1 12 12 LYS HG2 H 1 1.712 0.030 . 2 . . . . A 12 LYS HG2 . 30312 1 143 . 1 . 1 12 12 LYS HG3 H 1 1.427 0.030 . 2 . . . . A 12 LYS HG3 . 30312 1 144 . 1 . 1 12 12 LYS HD2 H 1 1.715 0.030 . 2 . . . . A 12 LYS HD2 . 30312 1 145 . 1 . 1 12 12 LYS HD3 H 1 1.715 0.030 . 2 . . . . A 12 LYS HD3 . 30312 1 146 . 1 . 1 12 12 LYS HE2 H 1 3.049 0.030 . 2 . . . . A 12 LYS HE2 . 30312 1 147 . 1 . 1 12 12 LYS HE3 H 1 3.010 0.030 . 2 . . . . A 12 LYS HE3 . 30312 1 148 . 1 . 1 12 12 LYS C C 13 178.655 0.500 . 1 . . . . A 12 LYS C . 30312 1 149 . 1 . 1 12 12 LYS CA C 13 59.682 0.500 . 1 . . . . A 12 LYS CA . 30312 1 150 . 1 . 1 12 12 LYS CB C 13 32.564 0.500 . 1 . . . . A 12 LYS CB . 30312 1 151 . 1 . 1 12 12 LYS CG C 13 26.296 0.500 . 1 . . . . A 12 LYS CG . 30312 1 152 . 1 . 1 12 12 LYS CD C 13 29.645 0.500 . 1 . . . . A 12 LYS CD . 30312 1 153 . 1 . 1 12 12 LYS CE C 13 42.094 0.500 . 1 . . . . A 12 LYS CE . 30312 1 154 . 1 . 1 12 12 LYS N N 15 119.631 0.500 . 1 . . . . A 12 LYS N . 30312 1 155 . 1 . 1 13 13 LYS H H 1 7.364 0.030 . 1 . . . . A 13 LYS H . 30312 1 156 . 1 . 1 13 13 LYS HA H 1 4.075 0.030 . 1 . . . . A 13 LYS HA . 30312 1 157 . 1 . 1 13 13 LYS HB2 H 1 1.881 0.030 . 2 . . . . A 13 LYS HB2 . 30312 1 158 . 1 . 1 13 13 LYS HB3 H 1 1.881 0.030 . 2 . . . . A 13 LYS HB3 . 30312 1 159 . 1 . 1 13 13 LYS HG2 H 1 1.594 0.030 . 2 . . . . A 13 LYS HG2 . 30312 1 160 . 1 . 1 13 13 LYS HG3 H 1 1.423 0.030 . 2 . . . . A 13 LYS HG3 . 30312 1 161 . 1 . 1 13 13 LYS HD2 H 1 1.679 0.030 . 2 . . . . A 13 LYS HD2 . 30312 1 162 . 1 . 1 13 13 LYS HD3 H 1 1.668 0.030 . 2 . . . . A 13 LYS HD3 . 30312 1 163 . 1 . 1 13 13 LYS HE2 H 1 2.939 0.030 . 2 . . . . A 13 LYS HE2 . 30312 1 164 . 1 . 1 13 13 LYS HE3 H 1 2.939 0.030 . 2 . . . . A 13 LYS HE3 . 30312 1 165 . 1 . 1 13 13 LYS C C 13 177.805 0.500 . 1 . . . . A 13 LYS C . 30312 1 166 . 1 . 1 13 13 LYS CA C 13 58.304 0.500 . 1 . . . . A 13 LYS CA . 30312 1 167 . 1 . 1 13 13 LYS CB C 13 32.689 0.500 . 1 . . . . A 13 LYS CB . 30312 1 168 . 1 . 1 13 13 LYS CG C 13 25.124 0.500 . 1 . . . . A 13 LYS CG . 30312 1 169 . 1 . 1 13 13 LYS CD C 13 29.274 0.500 . 1 . . . . A 13 LYS CD . 30312 1 170 . 1 . 1 13 13 LYS CE C 13 41.866 0.500 . 1 . . . . A 13 LYS CE . 30312 1 171 . 1 . 1 13 13 LYS N N 15 115.971 0.500 . 1 . . . . A 13 LYS N . 30312 1 172 . 1 . 1 14 14 LYS H H 1 7.740 0.030 . 1 . . . . A 14 LYS H . 30312 1 173 . 1 . 1 14 14 LYS HA H 1 3.922 0.030 . 1 . . . . A 14 LYS HA . 30312 1 174 . 1 . 1 14 14 LYS HB2 H 1 1.693 0.030 . 2 . . . . A 14 LYS HB2 . 30312 1 175 . 1 . 1 14 14 LYS HB3 H 1 1.465 0.030 . 2 . . . . A 14 LYS HB3 . 30312 1 176 . 1 . 1 14 14 LYS HG2 H 1 1.045 0.030 . 2 . . . . A 14 LYS HG2 . 30312 1 177 . 1 . 1 14 14 LYS HG3 H 1 0.514 0.030 . 2 . . . . A 14 LYS HG3 . 30312 1 178 . 1 . 1 14 14 LYS HD2 H 1 1.414 0.030 . 2 . . . . A 14 LYS HD2 . 30312 1 179 . 1 . 1 14 14 LYS HD3 H 1 1.365 0.030 . 2 . . . . A 14 LYS HD3 . 30312 1 180 . 1 . 1 14 14 LYS HE2 H 1 2.736 0.030 . 2 . . . . A 14 LYS HE2 . 30312 1 181 . 1 . 1 14 14 LYS HE3 H 1 2.685 0.030 . 2 . . . . A 14 LYS HE3 . 30312 1 182 . 1 . 1 14 14 LYS C C 13 177.328 0.500 . 1 . . . . A 14 LYS C . 30312 1 183 . 1 . 1 14 14 LYS CA C 13 58.304 0.500 . 1 . . . . A 14 LYS CA . 30312 1 184 . 1 . 1 14 14 LYS CB C 13 33.248 0.500 . 1 . . . . A 14 LYS CB . 30312 1 185 . 1 . 1 14 14 LYS CG C 13 24.584 0.500 . 1 . . . . A 14 LYS CG . 30312 1 186 . 1 . 1 14 14 LYS CD C 13 29.027 0.500 . 1 . . . . A 14 LYS CD . 30312 1 187 . 1 . 1 14 14 LYS CE C 13 41.763 0.500 . 1 . . . . A 14 LYS CE . 30312 1 188 . 1 . 1 14 14 LYS N N 15 118.925 0.500 . 1 . . . . A 14 LYS N . 30312 1 189 . 1 . 1 15 15 PHE H H 1 7.976 0.030 . 1 . . . . A 15 PHE H . 30312 1 190 . 1 . 1 15 15 PHE HA H 1 4.896 0.030 . 1 . . . . A 15 PHE HA . 30312 1 191 . 1 . 1 15 15 PHE HB2 H 1 2.752 0.030 . 1 . . . . A 15 PHE HB2 . 30312 1 192 . 1 . 1 15 15 PHE HB3 H 1 3.103 0.030 . 1 . . . . A 15 PHE HB3 . 30312 1 193 . 1 . 1 15 15 PHE HD1 H 1 7.339 0.030 . 1 . . . . A 15 PHE HD1 . 30312 1 194 . 1 . 1 15 15 PHE HD2 H 1 7.339 0.030 . 1 . . . . A 15 PHE HD2 . 30312 1 195 . 1 . 1 15 15 PHE HE1 H 1 7.211 0.030 . 1 . . . . A 15 PHE HE1 . 30312 1 196 . 1 . 1 15 15 PHE HE2 H 1 7.211 0.030 . 1 . . . . A 15 PHE HE2 . 30312 1 197 . 1 . 1 15 15 PHE HZ H 1 6.944 0.030 . 1 . . . . A 15 PHE HZ . 30312 1 198 . 1 . 1 15 15 PHE C C 13 176.280 0.500 . 1 . . . . A 15 PHE C . 30312 1 199 . 1 . 1 15 15 PHE CA C 13 56.104 0.500 . 1 . . . . A 15 PHE CA . 30312 1 200 . 1 . 1 15 15 PHE CB C 13 37.175 0.500 . 1 . . . . A 15 PHE CB . 30312 1 201 . 1 . 1 15 15 PHE CD1 C 13 132.179 0.500 . 1 . . . . A 15 PHE CD1 . 30312 1 202 . 1 . 1 15 15 PHE CD2 C 13 132.179 0.500 . 1 . . . . A 15 PHE CD2 . 30312 1 203 . 1 . 1 15 15 PHE CE1 C 13 131.038 0.500 . 1 . . . . A 15 PHE CE1 . 30312 1 204 . 1 . 1 15 15 PHE CE2 C 13 131.038 0.500 . 1 . . . . A 15 PHE CE2 . 30312 1 205 . 1 . 1 15 15 PHE CZ C 13 128.947 0.500 . 1 . . . . A 15 PHE CZ . 30312 1 206 . 1 . 1 15 15 PHE N N 15 119.169 0.500 . 1 . . . . A 15 PHE N . 30312 1 207 . 1 . 1 16 16 LYS H H 1 7.101 0.030 . 1 . . . . A 16 LYS H . 30312 1 208 . 1 . 1 16 16 LYS HA H 1 4.212 0.030 . 1 . . . . A 16 LYS HA . 30312 1 209 . 1 . 1 16 16 LYS HB2 H 1 1.875 0.030 . 2 . . . . A 16 LYS HB2 . 30312 1 210 . 1 . 1 16 16 LYS HB3 H 1 1.875 0.030 . 2 . . . . A 16 LYS HB3 . 30312 1 211 . 1 . 1 16 16 LYS HG2 H 1 1.469 0.030 . 2 . . . . A 16 LYS HG2 . 30312 1 212 . 1 . 1 16 16 LYS HG3 H 1 1.465 0.030 . 2 . . . . A 16 LYS HG3 . 30312 1 213 . 1 . 1 16 16 LYS HD2 H 1 1.739 0.030 . 2 . . . . A 16 LYS HD2 . 30312 1 214 . 1 . 1 16 16 LYS HD3 H 1 1.739 0.030 . 2 . . . . A 16 LYS HD3 . 30312 1 215 . 1 . 1 16 16 LYS HE2 H 1 3.058 0.030 . 2 . . . . A 16 LYS HE2 . 30312 1 216 . 1 . 1 16 16 LYS HE3 H 1 3.058 0.030 . 2 . . . . A 16 LYS HE3 . 30312 1 217 . 1 . 1 16 16 LYS C C 13 176.866 0.500 . 1 . . . . A 16 LYS C . 30312 1 218 . 1 . 1 16 16 LYS CA C 13 58.650 0.500 . 1 . . . . A 16 LYS CA . 30312 1 219 . 1 . 1 16 16 LYS CB C 13 32.391 0.500 . 1 . . . . A 16 LYS CB . 30312 1 220 . 1 . 1 16 16 LYS CG C 13 24.146 0.500 . 1 . . . . A 16 LYS CG . 30312 1 221 . 1 . 1 16 16 LYS CD C 13 29.325 0.500 . 1 . . . . A 16 LYS CD . 30312 1 222 . 1 . 1 16 16 LYS CE C 13 41.894 0.500 . 1 . . . . A 16 LYS CE . 30312 1 223 . 1 . 1 16 16 LYS N N 15 119.302 0.500 . 1 . . . . A 16 LYS N . 30312 1 224 . 1 . 1 17 17 ASN H H 1 8.825 0.030 . 1 . . . . A 17 ASN H . 30312 1 225 . 1 . 1 17 17 ASN HA H 1 4.859 0.030 . 1 . . . . A 17 ASN HA . 30312 1 226 . 1 . 1 17 17 ASN HB2 H 1 3.054 0.030 . 2 . . . . A 17 ASN HB2 . 30312 1 227 . 1 . 1 17 17 ASN HB3 H 1 2.955 0.030 . 2 . . . . A 17 ASN HB3 . 30312 1 228 . 1 . 1 17 17 ASN HD21 H 1 6.990 0.030 . 2 . . . . A 17 ASN HD21 . 30312 1 229 . 1 . 1 17 17 ASN HD22 H 1 7.677 0.030 . 2 . . . . A 17 ASN HD22 . 30312 1 230 . 1 . 1 17 17 ASN C C 13 174.614 0.500 . 1 . . . . A 17 ASN C . 30312 1 231 . 1 . 1 17 17 ASN CA C 13 53.382 0.500 . 1 . . . . A 17 ASN CA . 30312 1 232 . 1 . 1 17 17 ASN CB C 13 37.898 0.500 . 1 . . . . A 17 ASN CB . 30312 1 233 . 1 . 1 17 17 ASN N N 15 114.987 0.500 . 1 . . . . A 17 ASN N . 30312 1 234 . 1 . 1 17 17 ASN ND2 N 15 112.945 0.500 . 1 . . . . A 17 ASN ND2 . 30312 1 235 . 1 . 1 18 18 CYS H H 1 7.848 0.030 . 1 . . . . A 18 CYS H . 30312 1 236 . 1 . 1 18 18 CYS HA H 1 5.205 0.030 . 1 . . . . A 18 CYS HA . 30312 1 237 . 1 . 1 18 18 CYS HB2 H 1 3.412 0.030 . 1 . . . . A 18 CYS HB2 . 30312 1 238 . 1 . 1 18 18 CYS HB3 H 1 2.652 0.030 . 1 . . . . A 18 CYS HB3 . 30312 1 239 . 1 . 1 18 18 CYS C C 13 171.765 0.500 . 1 . . . . A 18 CYS C . 30312 1 240 . 1 . 1 18 18 CYS CA C 13 55.334 0.500 . 1 . . . . A 18 CYS CA . 30312 1 241 . 1 . 1 18 18 CYS CB C 13 48.435 0.500 . 1 . . . . A 18 CYS CB . 30312 1 242 . 1 . 1 18 18 CYS N N 15 117.253 0.500 . 1 . . . . A 18 CYS N . 30312 1 243 . 1 . 1 19 19 GLU H H 1 8.460 0.030 . 1 . . . . A 19 GLU H . 30312 1 244 . 1 . 1 19 19 GLU HA H 1 4.563 0.030 . 1 . . . . A 19 GLU HA . 30312 1 245 . 1 . 1 19 19 GLU HB2 H 1 2.053 0.030 . 1 . . . . A 19 GLU HB2 . 30312 1 246 . 1 . 1 19 19 GLU HB3 H 1 2.130 0.030 . 1 . . . . A 19 GLU HB3 . 30312 1 247 . 1 . 1 19 19 GLU HG2 H 1 2.359 0.030 . 2 . . . . A 19 GLU HG2 . 30312 1 248 . 1 . 1 19 19 GLU HG3 H 1 2.127 0.030 . 2 . . . . A 19 GLU HG3 . 30312 1 249 . 1 . 1 19 19 GLU C C 13 175.353 0.500 . 1 . . . . A 19 GLU C . 30312 1 250 . 1 . 1 19 19 GLU CA C 13 55.497 0.500 . 1 . . . . A 19 GLU CA . 30312 1 251 . 1 . 1 19 19 GLU CB C 13 30.615 0.500 . 1 . . . . A 19 GLU CB . 30312 1 252 . 1 . 1 19 19 GLU CG C 13 35.754 0.500 . 1 . . . . A 19 GLU CG . 30312 1 253 . 1 . 1 19 19 GLU N N 15 122.215 0.500 . 1 . . . . A 19 GLU N . 30312 1 254 . 1 . 1 20 20 VAL H H 1 8.824 0.030 . 1 . . . . A 20 VAL H . 30312 1 255 . 1 . 1 20 20 VAL HA H 1 4.807 0.030 . 1 . . . . A 20 VAL HA . 30312 1 256 . 1 . 1 20 20 VAL HB H 1 1.959 0.030 . 1 . . . . A 20 VAL HB . 30312 1 257 . 1 . 1 20 20 VAL HG11 H 1 0.765 0.030 . 1 . . . . A 20 VAL HG11 . 30312 1 258 . 1 . 1 20 20 VAL HG12 H 1 0.765 0.030 . 1 . . . . A 20 VAL HG12 . 30312 1 259 . 1 . 1 20 20 VAL HG13 H 1 0.765 0.030 . 1 . . . . A 20 VAL HG13 . 30312 1 260 . 1 . 1 20 20 VAL HG21 H 1 0.923 0.030 . 1 . . . . A 20 VAL HG21 . 30312 1 261 . 1 . 1 20 20 VAL HG22 H 1 0.923 0.030 . 1 . . . . A 20 VAL HG22 . 30312 1 262 . 1 . 1 20 20 VAL HG23 H 1 0.923 0.030 . 1 . . . . A 20 VAL HG23 . 30312 1 263 . 1 . 1 20 20 VAL C C 13 174.761 0.500 . 1 . . . . A 20 VAL C . 30312 1 264 . 1 . 1 20 20 VAL CA C 13 61.548 0.500 . 1 . . . . A 20 VAL CA . 30312 1 265 . 1 . 1 20 20 VAL CB C 13 33.591 0.500 . 1 . . . . A 20 VAL CB . 30312 1 266 . 1 . 1 20 20 VAL CG1 C 13 21.974 0.500 . 1 . . . . A 20 VAL CG1 . 30312 1 267 . 1 . 1 20 20 VAL CG2 C 13 22.035 0.500 . 1 . . . . A 20 VAL CG2 . 30312 1 268 . 1 . 1 20 20 VAL N N 15 128.081 0.500 . 1 . . . . A 20 VAL N . 30312 1 269 . 1 . 1 21 21 ARG H H 1 9.220 0.030 . 1 . . . . A 21 ARG H . 30312 1 270 . 1 . 1 21 21 ARG HA H 1 4.704 0.030 . 1 . . . . A 21 ARG HA . 30312 1 271 . 1 . 1 21 21 ARG HB2 H 1 1.883 0.030 . 2 . . . . A 21 ARG HB2 . 30312 1 272 . 1 . 1 21 21 ARG HB3 H 1 1.756 0.030 . 2 . . . . A 21 ARG HB3 . 30312 1 273 . 1 . 1 21 21 ARG HG2 H 1 1.587 0.030 . 2 . . . . A 21 ARG HG2 . 30312 1 274 . 1 . 1 21 21 ARG HG3 H 1 1.490 0.030 . 2 . . . . A 21 ARG HG3 . 30312 1 275 . 1 . 1 21 21 ARG HD2 H 1 3.154 0.030 . 2 . . . . A 21 ARG HD2 . 30312 1 276 . 1 . 1 21 21 ARG HD3 H 1 3.154 0.030 . 2 . . . . A 21 ARG HD3 . 30312 1 277 . 1 . 1 21 21 ARG HE H 1 7.304 0.030 . 1 . . . . A 21 ARG HE . 30312 1 278 . 1 . 1 21 21 ARG C C 13 174.857 0.500 . 1 . . . . A 21 ARG C . 30312 1 279 . 1 . 1 21 21 ARG CA C 13 54.359 0.500 . 1 . . . . A 21 ARG CA . 30312 1 280 . 1 . 1 21 21 ARG CB C 13 32.474 0.500 . 1 . . . . A 21 ARG CB . 30312 1 281 . 1 . 1 21 21 ARG CG C 13 27.289 0.500 . 1 . . . . A 21 ARG CG . 30312 1 282 . 1 . 1 21 21 ARG CD C 13 43.188 0.500 . 1 . . . . A 21 ARG CD . 30312 1 283 . 1 . 1 21 21 ARG N N 15 127.946 0.500 . 1 . . . . A 21 ARG N . 30312 1 284 . 1 . 1 21 21 ARG NE N 15 84.390 0.500 . 1 . . . . A 21 ARG NE . 30312 1 285 . 1 . 1 22 22 CYS H H 1 9.127 0.030 . 1 . . . . A 22 CYS H . 30312 1 286 . 1 . 1 22 22 CYS HA H 1 4.753 0.030 . 1 . . . . A 22 CYS HA . 30312 1 287 . 1 . 1 22 22 CYS HB2 H 1 3.466 0.030 . 2 . . . . A 22 CYS HB2 . 30312 1 288 . 1 . 1 22 22 CYS HB3 H 1 3.179 0.030 . 2 . . . . A 22 CYS HB3 . 30312 1 289 . 1 . 1 22 22 CYS C C 13 172.644 0.500 . 1 . . . . A 22 CYS C . 30312 1 290 . 1 . 1 22 22 CYS CA C 13 54.621 0.500 . 1 . . . . A 22 CYS CA . 30312 1 291 . 1 . 1 22 22 CYS CB C 13 42.173 0.500 . 1 . . . . A 22 CYS CB . 30312 1 292 . 1 . 1 22 22 CYS N N 15 123.915 0.500 . 1 . . . . A 22 CYS N . 30312 1 293 . 1 . 1 23 23 ASP H H 1 8.627 0.030 . 1 . . . . A 23 ASP H . 30312 1 294 . 1 . 1 23 23 ASP HA H 1 4.719 0.030 . 1 . . . . A 23 ASP HA . 30312 1 295 . 1 . 1 23 23 ASP HB2 H 1 3.118 0.030 . 2 . . . . A 23 ASP HB2 . 30312 1 296 . 1 . 1 23 23 ASP HB3 H 1 2.544 0.030 . 2 . . . . A 23 ASP HB3 . 30312 1 297 . 1 . 1 23 23 ASP C C 13 176.316 0.500 . 1 . . . . A 23 ASP C . 30312 1 298 . 1 . 1 23 23 ASP CA C 13 53.428 0.500 . 1 . . . . A 23 ASP CA . 30312 1 299 . 1 . 1 23 23 ASP CB C 13 41.316 0.500 . 1 . . . . A 23 ASP CB . 30312 1 300 . 1 . 1 23 23 ASP N N 15 124.911 0.500 . 1 . . . . A 23 ASP N . 30312 1 301 . 1 . 1 24 24 GLU H H 1 8.777 0.030 . 1 . . . . A 24 GLU H . 30312 1 302 . 1 . 1 24 24 GLU HA H 1 4.156 0.030 . 1 . . . . A 24 GLU HA . 30312 1 303 . 1 . 1 24 24 GLU HB2 H 1 2.164 0.030 . 2 . . . . A 24 GLU HB2 . 30312 1 304 . 1 . 1 24 24 GLU HB3 H 1 1.992 0.030 . 2 . . . . A 24 GLU HB3 . 30312 1 305 . 1 . 1 24 24 GLU HG2 H 1 2.378 0.030 . 2 . . . . A 24 GLU HG2 . 30312 1 306 . 1 . 1 24 24 GLU HG3 H 1 2.290 0.030 . 2 . . . . A 24 GLU HG3 . 30312 1 307 . 1 . 1 24 24 GLU C C 13 177.347 0.500 . 1 . . . . A 24 GLU C . 30312 1 308 . 1 . 1 24 24 GLU CA C 13 57.796 0.500 . 1 . . . . A 24 GLU CA . 30312 1 309 . 1 . 1 24 24 GLU CB C 13 29.510 0.500 . 1 . . . . A 24 GLU CB . 30312 1 310 . 1 . 1 24 24 GLU CG C 13 35.903 0.500 . 1 . . . . A 24 GLU CG . 30312 1 311 . 1 . 1 24 24 GLU N N 15 123.293 0.500 . 1 . . . . A 24 GLU N . 30312 1 312 . 1 . 1 25 25 SER H H 1 8.618 0.030 . 1 . . . . A 25 SER H . 30312 1 313 . 1 . 1 25 25 SER HA H 1 4.293 0.030 . 1 . . . . A 25 SER HA . 30312 1 314 . 1 . 1 25 25 SER HB2 H 1 3.892 0.030 . 2 . . . . A 25 SER HB2 . 30312 1 315 . 1 . 1 25 25 SER HB3 H 1 3.892 0.030 . 2 . . . . A 25 SER HB3 . 30312 1 316 . 1 . 1 25 25 SER C C 13 174.753 0.500 . 1 . . . . A 25 SER C . 30312 1 317 . 1 . 1 25 25 SER CA C 13 60.143 0.500 . 1 . . . . A 25 SER CA . 30312 1 318 . 1 . 1 25 25 SER CB C 13 63.029 0.500 . 1 . . . . A 25 SER CB . 30312 1 319 . 1 . 1 25 25 SER N N 15 115.110 0.500 . 1 . . . . A 25 SER N . 30312 1 320 . 1 . 1 26 26 ASN H H 1 7.687 0.030 . 1 . . . . A 26 ASN H . 30312 1 321 . 1 . 1 26 26 ASN HA H 1 4.655 0.030 . 1 . . . . A 26 ASN HA . 30312 1 322 . 1 . 1 26 26 ASN HB2 H 1 2.823 0.030 . 2 . . . . A 26 ASN HB2 . 30312 1 323 . 1 . 1 26 26 ASN HB3 H 1 2.766 0.030 . 2 . . . . A 26 ASN HB3 . 30312 1 324 . 1 . 1 26 26 ASN HD21 H 1 7.635 0.030 . 2 . . . . A 26 ASN HD21 . 30312 1 325 . 1 . 1 26 26 ASN HD22 H 1 6.697 0.030 . 2 . . . . A 26 ASN HD22 . 30312 1 326 . 1 . 1 26 26 ASN C C 13 174.519 0.500 . 1 . . . . A 26 ASN C . 30312 1 327 . 1 . 1 26 26 ASN CA C 13 52.240 0.500 . 1 . . . . A 26 ASN CA . 30312 1 328 . 1 . 1 26 26 ASN CB C 13 38.636 0.500 . 1 . . . . A 26 ASN CB . 30312 1 329 . 1 . 1 26 26 ASN N N 15 117.489 0.500 . 1 . . . . A 26 ASN N . 30312 1 330 . 1 . 1 26 26 ASN ND2 N 15 111.623 0.500 . 1 . . . . A 26 ASN ND2 . 30312 1 331 . 1 . 1 27 27 HIS H H 1 8.006 0.030 . 1 . . . . A 27 HIS H . 30312 1 332 . 1 . 1 27 27 HIS HA H 1 4.485 0.030 . 1 . . . . A 27 HIS HA . 30312 1 333 . 1 . 1 27 27 HIS HB2 H 1 3.546 0.030 . 2 . . . . A 27 HIS HB2 . 30312 1 334 . 1 . 1 27 27 HIS HB3 H 1 3.344 0.030 . 2 . . . . A 27 HIS HB3 . 30312 1 335 . 1 . 1 27 27 HIS HD2 H 1 7.292 0.030 . 1 . . . . A 27 HIS HD2 . 30312 1 336 . 1 . 1 27 27 HIS HE1 H 1 8.607 0.030 . 1 . . . . A 27 HIS HE1 . 30312 1 337 . 1 . 1 27 27 HIS C C 13 174.285 0.500 . 1 . . . . A 27 HIS C . 30312 1 338 . 1 . 1 27 27 HIS CA C 13 56.483 0.500 . 1 . . . . A 27 HIS CA . 30312 1 339 . 1 . 1 27 27 HIS CB C 13 27.000 0.500 . 1 . . . . A 27 HIS CB . 30312 1 340 . 1 . 1 27 27 HIS CD2 C 13 119.760 0.500 . 1 . . . . A 27 HIS CD2 . 30312 1 341 . 1 . 1 27 27 HIS CE1 C 13 136.117 0.500 . 1 . . . . A 27 HIS CE1 . 30312 1 342 . 1 . 1 27 27 HIS N N 15 113.452 0.500 . 1 . . . . A 27 HIS N . 30312 1 343 . 1 . 1 28 28 CYS H H 1 8.228 0.030 . 1 . . . . A 28 CYS H . 30312 1 344 . 1 . 1 28 28 CYS HA H 1 5.326 0.030 . 1 . . . . A 28 CYS HA . 30312 1 345 . 1 . 1 28 28 CYS HB2 H 1 3.262 0.030 . 2 . . . . A 28 CYS HB2 . 30312 1 346 . 1 . 1 28 28 CYS HB3 H 1 2.602 0.030 . 2 . . . . A 28 CYS HB3 . 30312 1 347 . 1 . 1 28 28 CYS C C 13 173.116 0.500 . 1 . . . . A 28 CYS C . 30312 1 348 . 1 . 1 28 28 CYS CA C 13 56.588 0.500 . 1 . . . . A 28 CYS CA . 30312 1 349 . 1 . 1 28 28 CYS CB C 13 47.941 0.500 . 1 . . . . A 28 CYS CB . 30312 1 350 . 1 . 1 28 28 CYS N N 15 116.364 0.500 . 1 . . . . A 28 CYS N . 30312 1 351 . 1 . 1 29 29 VAL H H 1 9.096 0.030 . 1 . . . . A 29 VAL H . 30312 1 352 . 1 . 1 29 29 VAL HA H 1 4.563 0.030 . 1 . . . . A 29 VAL HA . 30312 1 353 . 1 . 1 29 29 VAL HB H 1 2.044 0.030 . 1 . . . . A 29 VAL HB . 30312 1 354 . 1 . 1 29 29 VAL HG11 H 1 0.870 0.030 . 1 . . . . A 29 VAL HG11 . 30312 1 355 . 1 . 1 29 29 VAL HG12 H 1 0.870 0.030 . 1 . . . . A 29 VAL HG12 . 30312 1 356 . 1 . 1 29 29 VAL HG13 H 1 0.870 0.030 . 1 . . . . A 29 VAL HG13 . 30312 1 357 . 1 . 1 29 29 VAL HG21 H 1 0.977 0.030 . 1 . . . . A 29 VAL HG21 . 30312 1 358 . 1 . 1 29 29 VAL HG22 H 1 0.977 0.030 . 1 . . . . A 29 VAL HG22 . 30312 1 359 . 1 . 1 29 29 VAL HG23 H 1 0.977 0.030 . 1 . . . . A 29 VAL HG23 . 30312 1 360 . 1 . 1 29 29 VAL C C 13 174.105 0.500 . 1 . . . . A 29 VAL C . 30312 1 361 . 1 . 1 29 29 VAL CA C 13 61.242 0.500 . 1 . . . . A 29 VAL CA . 30312 1 362 . 1 . 1 29 29 VAL CB C 13 34.214 0.500 . 1 . . . . A 29 VAL CB . 30312 1 363 . 1 . 1 29 29 VAL CG1 C 13 22.285 0.500 . 1 . . . . A 29 VAL CG1 . 30312 1 364 . 1 . 1 29 29 VAL CG2 C 13 21.698 0.500 . 1 . . . . A 29 VAL CG2 . 30312 1 365 . 1 . 1 29 29 VAL N N 15 122.107 0.500 . 1 . . . . A 29 VAL N . 30312 1 366 . 1 . 1 30 30 GLU H H 1 8.788 0.030 . 1 . . . . A 30 GLU H . 30312 1 367 . 1 . 1 30 30 GLU HA H 1 5.066 0.030 . 1 . . . . A 30 GLU HA . 30312 1 368 . 1 . 1 30 30 GLU HB2 H 1 1.982 0.030 . 2 . . . . A 30 GLU HB2 . 30312 1 369 . 1 . 1 30 30 GLU HB3 H 1 1.942 0.030 . 2 . . . . A 30 GLU HB3 . 30312 1 370 . 1 . 1 30 30 GLU HG2 H 1 2.216 0.030 . 2 . . . . A 30 GLU HG2 . 30312 1 371 . 1 . 1 30 30 GLU HG3 H 1 2.087 0.030 . 2 . . . . A 30 GLU HG3 . 30312 1 372 . 1 . 1 30 30 GLU C C 13 174.758 0.500 . 1 . . . . A 30 GLU C . 30312 1 373 . 1 . 1 30 30 GLU CA C 13 54.648 0.500 . 1 . . . . A 30 GLU CA . 30312 1 374 . 1 . 1 30 30 GLU CB C 13 31.623 0.500 . 1 . . . . A 30 GLU CB . 30312 1 375 . 1 . 1 30 30 GLU CG C 13 35.574 0.500 . 1 . . . . A 30 GLU CG . 30312 1 376 . 1 . 1 30 30 GLU N N 15 126.214 0.500 . 1 . . . . A 30 GLU N . 30312 1 377 . 1 . 1 31 31 VAL H H 1 9.115 0.030 . 1 . . . . A 31 VAL H . 30312 1 378 . 1 . 1 31 31 VAL HA H 1 4.584 0.030 . 1 . . . . A 31 VAL HA . 30312 1 379 . 1 . 1 31 31 VAL HB H 1 1.564 0.030 . 1 . . . . A 31 VAL HB . 30312 1 380 . 1 . 1 31 31 VAL HG11 H 1 0.338 0.030 . 1 . . . . A 31 VAL HG11 . 30312 1 381 . 1 . 1 31 31 VAL HG12 H 1 0.338 0.030 . 1 . . . . A 31 VAL HG12 . 30312 1 382 . 1 . 1 31 31 VAL HG13 H 1 0.338 0.030 . 1 . . . . A 31 VAL HG13 . 30312 1 383 . 1 . 1 31 31 VAL HG21 H 1 0.515 0.030 . 1 . . . . A 31 VAL HG21 . 30312 1 384 . 1 . 1 31 31 VAL HG22 H 1 0.515 0.030 . 1 . . . . A 31 VAL HG22 . 30312 1 385 . 1 . 1 31 31 VAL HG23 H 1 0.515 0.030 . 1 . . . . A 31 VAL HG23 . 30312 1 386 . 1 . 1 31 31 VAL C C 13 174.853 0.500 . 1 . . . . A 31 VAL C . 30312 1 387 . 1 . 1 31 31 VAL CA C 13 61.003 0.500 . 1 . . . . A 31 VAL CA . 30312 1 388 . 1 . 1 31 31 VAL CB C 13 33.737 0.500 . 1 . . . . A 31 VAL CB . 30312 1 389 . 1 . 1 31 31 VAL CG1 C 13 21.856 0.500 . 1 . . . . A 31 VAL CG1 . 30312 1 390 . 1 . 1 31 31 VAL CG2 C 13 20.401 0.500 . 1 . . . . A 31 VAL CG2 . 30312 1 391 . 1 . 1 31 31 VAL N N 15 126.530 0.500 . 1 . . . . A 31 VAL N . 30312 1 392 . 1 . 1 32 32 ARG H H 1 9.264 0.030 . 1 . . . . A 32 ARG H . 30312 1 393 . 1 . 1 32 32 ARG HA H 1 4.880 0.030 . 1 . . . . A 32 ARG HA . 30312 1 394 . 1 . 1 32 32 ARG HB2 H 1 1.957 0.030 . 2 . . . . A 32 ARG HB2 . 30312 1 395 . 1 . 1 32 32 ARG HB3 H 1 1.781 0.030 . 2 . . . . A 32 ARG HB3 . 30312 1 396 . 1 . 1 32 32 ARG HG2 H 1 1.509 0.030 . 2 . . . . A 32 ARG HG2 . 30312 1 397 . 1 . 1 32 32 ARG HG3 H 1 1.482 0.030 . 2 . . . . A 32 ARG HG3 . 30312 1 398 . 1 . 1 32 32 ARG HD2 H 1 3.170 0.030 . 2 . . . . A 32 ARG HD2 . 30312 1 399 . 1 . 1 32 32 ARG HD3 H 1 3.141 0.030 . 2 . . . . A 32 ARG HD3 . 30312 1 400 . 1 . 1 32 32 ARG HE H 1 7.321 0.030 . 1 . . . . A 32 ARG HE . 30312 1 401 . 1 . 1 32 32 ARG C C 13 175.690 0.500 . 1 . . . . A 32 ARG C . 30312 1 402 . 1 . 1 32 32 ARG CA C 13 55.302 0.500 . 1 . . . . A 32 ARG CA . 30312 1 403 . 1 . 1 32 32 ARG CB C 13 31.663 0.500 . 1 . . . . A 32 ARG CB . 30312 1 404 . 1 . 1 32 32 ARG CG C 13 27.433 0.500 . 1 . . . . A 32 ARG CG . 30312 1 405 . 1 . 1 32 32 ARG CD C 13 43.369 0.500 . 1 . . . . A 32 ARG CD . 30312 1 406 . 1 . 1 32 32 ARG N N 15 127.285 0.500 . 1 . . . . A 32 ARG N . 30312 1 407 . 1 . 1 32 32 ARG NE N 15 84.030 0.500 . 1 . . . . A 32 ARG NE . 30312 1 408 . 1 . 1 33 33 CYS H H 1 8.766 0.030 . 1 . . . . A 33 CYS H . 30312 1 409 . 1 . 1 33 33 CYS HA H 1 5.113 0.030 . 1 . . . . A 33 CYS HA . 30312 1 410 . 1 . 1 33 33 CYS HB2 H 1 3.077 0.030 . 1 . . . . A 33 CYS HB2 . 30312 1 411 . 1 . 1 33 33 CYS HB3 H 1 3.531 0.030 . 1 . . . . A 33 CYS HB3 . 30312 1 412 . 1 . 1 33 33 CYS C C 13 174.290 0.500 . 1 . . . . A 33 CYS C . 30312 1 413 . 1 . 1 33 33 CYS CA C 13 52.964 0.500 . 1 . . . . A 33 CYS CA . 30312 1 414 . 1 . 1 33 33 CYS CB C 13 42.795 0.500 . 1 . . . . A 33 CYS CB . 30312 1 415 . 1 . 1 33 33 CYS N N 15 126.422 0.500 . 1 . . . . A 33 CYS N . 30312 1 416 . 1 . 1 34 34 SER H H 1 9.086 0.030 . 1 . . . . A 34 SER H . 30312 1 417 . 1 . 1 34 34 SER HA H 1 4.097 0.030 . 1 . . . . A 34 SER HA . 30312 1 418 . 1 . 1 34 34 SER HB2 H 1 4.026 0.030 . 2 . . . . A 34 SER HB2 . 30312 1 419 . 1 . 1 34 34 SER HB3 H 1 3.991 0.030 . 2 . . . . A 34 SER HB3 . 30312 1 420 . 1 . 1 34 34 SER C C 13 174.994 0.500 . 1 . . . . A 34 SER C . 30312 1 421 . 1 . 1 34 34 SER CA C 13 61.023 0.500 . 1 . . . . A 34 SER CA . 30312 1 422 . 1 . 1 34 34 SER CB C 13 61.865 0.500 . 1 . . . . A 34 SER CB . 30312 1 423 . 1 . 1 34 34 SER N N 15 117.900 0.500 . 1 . . . . A 34 SER N . 30312 1 424 . 1 . 1 35 35 ASP H H 1 8.519 0.030 . 1 . . . . A 35 ASP H . 30312 1 425 . 1 . 1 35 35 ASP HA H 1 4.717 0.030 . 1 . . . . A 35 ASP HA . 30312 1 426 . 1 . 1 35 35 ASP HB2 H 1 2.767 0.030 . 2 . . . . A 35 ASP HB2 . 30312 1 427 . 1 . 1 35 35 ASP HB3 H 1 2.726 0.030 . 2 . . . . A 35 ASP HB3 . 30312 1 428 . 1 . 1 35 35 ASP C C 13 175.458 0.500 . 1 . . . . A 35 ASP C . 30312 1 429 . 1 . 1 35 35 ASP CA C 13 53.686 0.500 . 1 . . . . A 35 ASP CA . 30312 1 430 . 1 . 1 35 35 ASP CB C 13 40.944 0.500 . 1 . . . . A 35 ASP CB . 30312 1 431 . 1 . 1 35 35 ASP N N 15 117.576 0.500 . 1 . . . . A 35 ASP N . 30312 1 432 . 1 . 1 36 36 THR H H 1 7.370 0.030 . 1 . . . . A 36 THR H . 30312 1 433 . 1 . 1 36 36 THR HA H 1 4.386 0.030 . 1 . . . . A 36 THR HA . 30312 1 434 . 1 . 1 36 36 THR HB H 1 3.917 0.030 . 1 . . . . A 36 THR HB . 30312 1 435 . 1 . 1 36 36 THR HG21 H 1 0.903 0.030 . 1 . . . . A 36 THR HG21 . 30312 1 436 . 1 . 1 36 36 THR HG22 H 1 0.903 0.030 . 1 . . . . A 36 THR HG22 . 30312 1 437 . 1 . 1 36 36 THR HG23 H 1 0.903 0.030 . 1 . . . . A 36 THR HG23 . 30312 1 438 . 1 . 1 36 36 THR C C 13 171.371 0.500 . 1 . . . . A 36 THR C . 30312 1 439 . 1 . 1 36 36 THR CA C 13 61.111 0.500 . 1 . . . . A 36 THR CA . 30312 1 440 . 1 . 1 36 36 THR CB C 13 70.532 0.500 . 1 . . . . A 36 THR CB . 30312 1 441 . 1 . 1 36 36 THR CG2 C 13 20.822 0.500 . 1 . . . . A 36 THR CG2 . 30312 1 442 . 1 . 1 36 36 THR N N 15 113.958 0.500 . 1 . . . . A 36 THR N . 30312 1 443 . 1 . 1 37 37 LYS H H 1 8.092 0.030 . 1 . . . . A 37 LYS H . 30312 1 444 . 1 . 1 37 37 LYS HA H 1 5.128 0.030 . 1 . . . . A 37 LYS HA . 30312 1 445 . 1 . 1 37 37 LYS HB2 H 1 1.743 0.030 . 2 . . . . A 37 LYS HB2 . 30312 1 446 . 1 . 1 37 37 LYS HB3 H 1 1.676 0.030 . 2 . . . . A 37 LYS HB3 . 30312 1 447 . 1 . 1 37 37 LYS HG2 H 1 1.290 0.030 . 2 . . . . A 37 LYS HG2 . 30312 1 448 . 1 . 1 37 37 LYS HG3 H 1 1.249 0.030 . 2 . . . . A 37 LYS HG3 . 30312 1 449 . 1 . 1 37 37 LYS HD2 H 1 1.561 0.030 . 2 . . . . A 37 LYS HD2 . 30312 1 450 . 1 . 1 37 37 LYS HD3 H 1 1.561 0.030 . 2 . . . . A 37 LYS HD3 . 30312 1 451 . 1 . 1 37 37 LYS HE2 H 1 2.857 0.030 . 2 . . . . A 37 LYS HE2 . 30312 1 452 . 1 . 1 37 37 LYS HE3 H 1 2.857 0.030 . 2 . . . . A 37 LYS HE3 . 30312 1 453 . 1 . 1 37 37 LYS C C 13 174.527 0.500 . 1 . . . . A 37 LYS C . 30312 1 454 . 1 . 1 37 37 LYS CA C 13 54.518 0.500 . 1 . . . . A 37 LYS CA . 30312 1 455 . 1 . 1 37 37 LYS CB C 13 35.191 0.500 . 1 . . . . A 37 LYS CB . 30312 1 456 . 1 . 1 37 37 LYS CG C 13 24.272 0.500 . 1 . . . . A 37 LYS CG . 30312 1 457 . 1 . 1 37 37 LYS CD C 13 29.319 0.500 . 1 . . . . A 37 LYS CD . 30312 1 458 . 1 . 1 37 37 LYS CE C 13 41.890 0.500 . 1 . . . . A 37 LYS CE . 30312 1 459 . 1 . 1 37 37 LYS N N 15 123.359 0.500 . 1 . . . . A 37 LYS N . 30312 1 460 . 1 . 1 38 38 TYR H H 1 8.943 0.030 . 1 . . . . A 38 TYR H . 30312 1 461 . 1 . 1 38 38 TYR HA H 1 4.912 0.030 . 1 . . . . A 38 TYR HA . 30312 1 462 . 1 . 1 38 38 TYR HB2 H 1 2.541 0.030 . 1 . . . . A 38 TYR HB2 . 30312 1 463 . 1 . 1 38 38 TYR HB3 H 1 2.990 0.030 . 1 . . . . A 38 TYR HB3 . 30312 1 464 . 1 . 1 38 38 TYR HD1 H 1 6.773 0.030 . 1 . . . . A 38 TYR HD1 . 30312 1 465 . 1 . 1 38 38 TYR HD2 H 1 6.773 0.030 . 1 . . . . A 38 TYR HD2 . 30312 1 466 . 1 . 1 38 38 TYR HE1 H 1 6.628 0.030 . 1 . . . . A 38 TYR HE1 . 30312 1 467 . 1 . 1 38 38 TYR HE2 H 1 6.628 0.030 . 1 . . . . A 38 TYR HE2 . 30312 1 468 . 1 . 1 38 38 TYR C C 13 174.520 0.500 . 1 . . . . A 38 TYR C . 30312 1 469 . 1 . 1 38 38 TYR CA C 13 56.113 0.500 . 1 . . . . A 38 TYR CA . 30312 1 470 . 1 . 1 38 38 TYR CB C 13 41.016 0.500 . 1 . . . . A 38 TYR CB . 30312 1 471 . 1 . 1 38 38 TYR CD1 C 13 132.885 0.500 . 1 . . . . A 38 TYR CD1 . 30312 1 472 . 1 . 1 38 38 TYR CD2 C 13 132.885 0.500 . 1 . . . . A 38 TYR CD2 . 30312 1 473 . 1 . 1 38 38 TYR CE1 C 13 117.693 0.500 . 1 . . . . A 38 TYR CE1 . 30312 1 474 . 1 . 1 38 38 TYR CE2 C 13 117.693 0.500 . 1 . . . . A 38 TYR CE2 . 30312 1 475 . 1 . 1 38 38 TYR N N 15 120.920 0.500 . 1 . . . . A 38 TYR N . 30312 1 476 . 1 . 1 39 39 THR H H 1 8.754 0.030 . 1 . . . . A 39 THR H . 30312 1 477 . 1 . 1 39 39 THR HA H 1 4.971 0.030 . 1 . . . . A 39 THR HA . 30312 1 478 . 1 . 1 39 39 THR HB H 1 3.970 0.030 . 1 . . . . A 39 THR HB . 30312 1 479 . 1 . 1 39 39 THR HG21 H 1 1.193 0.030 . 1 . . . . A 39 THR HG21 . 30312 1 480 . 1 . 1 39 39 THR HG22 H 1 1.193 0.030 . 1 . . . . A 39 THR HG22 . 30312 1 481 . 1 . 1 39 39 THR HG23 H 1 1.193 0.030 . 1 . . . . A 39 THR HG23 . 30312 1 482 . 1 . 1 39 39 THR C C 13 173.348 0.500 . 1 . . . . A 39 THR C . 30312 1 483 . 1 . 1 39 39 THR CA C 13 62.059 0.500 . 1 . . . . A 39 THR CA . 30312 1 484 . 1 . 1 39 39 THR CB C 13 70.233 0.500 . 1 . . . . A 39 THR CB . 30312 1 485 . 1 . 1 39 39 THR CG2 C 13 22.268 0.500 . 1 . . . . A 39 THR CG2 . 30312 1 486 . 1 . 1 39 39 THR N N 15 118.883 0.500 . 1 . . . . A 39 THR N . 30312 1 487 . 1 . 1 40 40 LEU H H 1 9.244 0.030 . 1 . . . . A 40 LEU H . 30312 1 488 . 1 . 1 40 40 LEU HA H 1 4.836 0.030 . 1 . . . . A 40 LEU HA . 30312 1 489 . 1 . 1 40 40 LEU HB2 H 1 1.749 0.030 . 2 . . . . A 40 LEU HB2 . 30312 1 490 . 1 . 1 40 40 LEU HB3 H 1 1.694 0.030 . 2 . . . . A 40 LEU HB3 . 30312 1 491 . 1 . 1 40 40 LEU HG H 1 1.612 0.030 . 1 . . . . A 40 LEU HG . 30312 1 492 . 1 . 1 40 40 LEU HD11 H 1 0.935 0.030 . 1 . . . . A 40 LEU HD11 . 30312 1 493 . 1 . 1 40 40 LEU HD12 H 1 0.935 0.030 . 1 . . . . A 40 LEU HD12 . 30312 1 494 . 1 . 1 40 40 LEU HD13 H 1 0.935 0.030 . 1 . . . . A 40 LEU HD13 . 30312 1 495 . 1 . 1 40 40 LEU HD21 H 1 0.948 0.030 . 1 . . . . A 40 LEU HD21 . 30312 1 496 . 1 . 1 40 40 LEU HD22 H 1 0.948 0.030 . 1 . . . . A 40 LEU HD22 . 30312 1 497 . 1 . 1 40 40 LEU HD23 H 1 0.948 0.030 . 1 . . . . A 40 LEU HD23 . 30312 1 498 . 1 . 1 40 40 LEU C C 13 175.464 0.500 . 1 . . . . A 40 LEU C . 30312 1 499 . 1 . 1 40 40 LEU CA C 13 54.174 0.500 . 1 . . . . A 40 LEU CA . 30312 1 500 . 1 . 1 40 40 LEU CB C 13 43.092 0.500 . 1 . . . . A 40 LEU CB . 30312 1 501 . 1 . 1 40 40 LEU CG C 13 27.007 0.500 . 1 . . . . A 40 LEU CG . 30312 1 502 . 1 . 1 40 40 LEU CD1 C 13 25.806 0.500 . 1 . . . . A 40 LEU CD1 . 30312 1 503 . 1 . 1 40 40 LEU CD2 C 13 24.427 0.500 . 1 . . . . A 40 LEU CD2 . 30312 1 504 . 1 . 1 40 40 LEU N N 15 129.280 0.500 . 1 . . . . A 40 LEU N . 30312 1 505 . 1 . 1 41 41 CYS H H 1 8.703 0.030 . 1 . . . . A 41 CYS H . 30312 1 506 . 1 . 1 41 41 CYS HA H 1 4.949 0.030 . 1 . . . . A 41 CYS HA . 30312 1 507 . 1 . 1 41 41 CYS HB2 H 1 3.258 0.030 . 2 . . . . A 41 CYS HB2 . 30312 1 508 . 1 . 1 41 41 CYS HB3 H 1 2.917 0.030 . 2 . . . . A 41 CYS HB3 . 30312 1 509 . 1 . 1 41 41 CYS CA C 13 56.569 0.500 . 1 . . . . A 41 CYS CA . 30312 1 510 . 1 . 1 41 41 CYS CB C 13 45.794 0.500 . 1 . . . . A 41 CYS CB . 30312 1 511 . 1 . 1 41 41 CYS N N 15 129.955 0.500 . 1 . . . . A 41 CYS N . 30312 1 stop_ save_