################################### # 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 30030 _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 3 '3D HNCA' . . . 30030 1 5 '3D HNCO' . . . 30030 1 7 '3D HNCACB' . . . 30030 1 9 '3D C(CO)NH' . . . 30030 1 11 '3D HCCH-TOCSY' . . . 30030 1 16 '2D 1H-13C HSQC aromatic' . . . 30030 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 . . 30030 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.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 MET N N 15 119.773 0.000 . 1 . . . 1 A 11 MET N . 30030 1 2 . 1 1 1 1 MET H H 1 7.970 0.000 . 1 . . . 1 A 11 MET H . 30030 1 3 . 1 1 1 1 MET CA C 13 55.576 0.000 . 1 . . . 1 A 11 MET CA . 30030 1 4 . 1 1 1 1 MET HA H 1 4.395 0.000 . 1 . . . 1 A 11 MET HA . 30030 1 5 . 1 1 1 1 MET CB C 13 32.577 0.000 . 1 . . . 1 A 11 MET CB . 30030 1 6 . 1 1 1 1 MET HB2 H 1 2.046 0.000 . 2 . . . 1 A 11 MET HB2 . 30030 1 7 . 1 1 1 1 MET HB3 H 1 1.986 0.000 . 2 . . . 1 A 11 MET HB3 . 30030 1 8 . 1 1 1 1 MET CG C 13 32.121 0.000 . 1 . . . 1 A 11 MET CG . 30030 1 9 . 1 1 1 1 MET HG2 H 1 2.533 0.000 . 2 . . . 1 A 11 MET HG2 . 30030 1 10 . 1 1 1 1 MET HG3 H 1 2.455 0.000 . 2 . . . 1 A 11 MET HG3 . 30030 1 11 . 1 1 1 1 MET C C 13 176.187 0.000 . 1 . . . 1 A 11 MET C . 30030 1 12 . 1 1 2 2 LEU N N 15 122.117 0.000 . 1 . . . 1 A 12 LEU N . 30030 1 13 . 1 1 2 2 LEU H H 1 7.995 0.000 . 1 . . . 1 A 12 LEU H . 30030 1 14 . 1 1 2 2 LEU CA C 13 55.474 0.000 . 1 . . . 1 A 12 LEU CA . 30030 1 15 . 1 1 2 2 LEU HA H 1 4.286 0.000 . 1 . . . 1 A 12 LEU HA . 30030 1 16 . 1 1 2 2 LEU CB C 13 42.474 0.000 . 1 . . . 1 A 12 LEU CB . 30030 1 17 . 1 1 2 2 LEU HB2 H 1 1.639 0.000 . 2 . . . 1 A 12 LEU HB2 . 30030 1 18 . 1 1 2 2 LEU HB3 H 1 1.535 0.000 . 2 . . . 1 A 12 LEU HB3 . 30030 1 19 . 1 1 2 2 LEU HG H 1 1.613 0.000 . 1 . . . 1 A 12 LEU HG . 30030 1 20 . 1 1 2 2 LEU HD11 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD11 . 30030 1 21 . 1 1 2 2 LEU HD12 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD12 . 30030 1 22 . 1 1 2 2 LEU HD13 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD13 . 30030 1 23 . 1 1 2 2 LEU HD21 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD21 . 30030 1 24 . 1 1 2 2 LEU HD22 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD22 . 30030 1 25 . 1 1 2 2 LEU HD23 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD23 . 30030 1 26 . 1 1 2 2 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 12 LEU CD1 . 30030 1 27 . 1 1 2 2 LEU CD2 C 13 23.333 0.000 . 2 . . . 1 A 12 LEU CD2 . 30030 1 28 . 1 1 2 2 LEU C C 13 177.072 0.000 . 1 . . . 1 A 12 LEU C . 30030 1 29 . 1 1 3 3 ASP N N 15 120.380 0.000 . 1 . . . 1 A 13 ASP N . 30030 1 30 . 1 1 3 3 ASP H H 1 8.267 0.000 . 1 . . . 1 A 13 ASP H . 30030 1 31 . 1 1 3 3 ASP CA C 13 54.552 0.000 . 1 . . . 1 A 13 ASP CA . 30030 1 32 . 1 1 3 3 ASP HA H 1 4.630 0.000 . 1 . . . 1 A 13 ASP HA . 30030 1 33 . 1 1 3 3 ASP CB C 13 41.130 0.000 . 1 . . . 1 A 13 ASP CB . 30030 1 34 . 1 1 3 3 ASP HB2 H 1 2.733 0.000 . 2 . . . 1 A 13 ASP HB2 . 30030 1 35 . 1 1 3 3 ASP HB3 H 1 2.614 0.000 . 2 . . . 1 A 13 ASP HB3 . 30030 1 36 . 1 1 3 3 ASP C C 13 176.149 0.000 . 1 . . . 1 A 13 ASP C . 30030 1 37 . 1 1 4 4 VAL N N 15 117.840 0.000 . 1 . . . 1 A 14 VAL N . 30030 1 38 . 1 1 4 4 VAL H H 1 7.881 0.000 . 1 . . . 1 A 14 VAL H . 30030 1 39 . 1 1 4 4 VAL CA C 13 61.977 0.000 . 1 . . . 1 A 14 VAL CA . 30030 1 40 . 1 1 4 4 VAL HA H 1 4.233 0.000 . 1 . . . 1 A 14 VAL HA . 30030 1 41 . 1 1 4 4 VAL CB C 13 33.046 0.000 . 1 . . . 1 A 14 VAL CB . 30030 1 42 . 1 1 4 4 VAL HB H 1 2.169 0.000 . 1 . . . 1 A 14 VAL HB . 30030 1 43 . 1 1 4 4 VAL HG11 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG11 . 30030 1 44 . 1 1 4 4 VAL HG12 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG12 . 30030 1 45 . 1 1 4 4 VAL HG13 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG13 . 30030 1 46 . 1 1 4 4 VAL HG21 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG21 . 30030 1 47 . 1 1 4 4 VAL HG22 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG22 . 30030 1 48 . 1 1 4 4 VAL HG23 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG23 . 30030 1 49 . 1 1 4 4 VAL CG1 C 13 21.331 0.000 . 2 . . . 1 A 14 VAL CG1 . 30030 1 50 . 1 1 4 4 VAL CG2 C 13 20.053 0.000 . 2 . . . 1 A 14 VAL CG2 . 30030 1 51 . 1 1 4 4 VAL C C 13 176.128 0.000 . 1 . . . 1 A 14 VAL C . 30030 1 52 . 1 1 5 5 GLY N N 15 109.871 0.000 . 1 . . . 1 A 15 GLY N . 30030 1 53 . 1 1 5 5 GLY H H 1 8.212 0.000 . 1 . . . 1 A 15 GLY H . 30030 1 54 . 1 1 5 5 GLY CA C 13 44.873 0.000 . 1 . . . 1 A 15 GLY CA . 30030 1 55 . 1 1 5 5 GLY HA2 H 1 3.478 0.000 . 2 . . . 1 A 15 GLY HA2 . 30030 1 56 . 1 1 5 5 GLY HA3 H 1 3.822 0.000 . 2 . . . 1 A 15 GLY HA3 . 30030 1 57 . 1 1 5 5 GLY C C 13 172.973 0.000 . 1 . . . 1 A 15 GLY C . 30030 1 58 . 1 1 6 6 LYS N N 15 118.074 0.000 . 1 . . . 1 A 16 LYS N . 30030 1 59 . 1 1 6 6 LYS H H 1 7.830 0.000 . 1 . . . 1 A 16 LYS H . 30030 1 60 . 1 1 6 6 LYS CA C 13 54.426 0.000 . 1 . . . 1 A 16 LYS CA . 30030 1 61 . 1 1 6 6 LYS HA H 1 4.466 0.000 . 1 . . . 1 A 16 LYS HA . 30030 1 62 . 1 1 6 6 LYS CB C 13 35.858 0.000 . 1 . . . 1 A 16 LYS CB . 30030 1 63 . 1 1 6 6 LYS HB2 H 1 1.652 0.000 . 2 . . . 1 A 16 LYS HB2 . 30030 1 64 . 1 1 6 6 LYS HB3 H 1 1.342 0.000 . 2 . . . 1 A 16 LYS HB3 . 30030 1 65 . 1 1 6 6 LYS CG C 13 25.033 0.000 . 1 . . . 1 A 16 LYS CG . 30030 1 66 . 1 1 6 6 LYS HG2 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG2 . 30030 1 67 . 1 1 6 6 LYS HG3 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG3 . 30030 1 68 . 1 1 6 6 LYS CD C 13 28.930 0.000 . 1 . . . 1 A 16 LYS CD . 30030 1 69 . 1 1 6 6 LYS HD2 H 1 1.637 0.000 . 2 . . . 1 A 16 LYS HD2 . 30030 1 70 . 1 1 6 6 LYS HD3 H 1 1.509 0.000 . 2 . . . 1 A 16 LYS HD3 . 30030 1 71 . 1 1 6 6 LYS CE C 13 42.249 0.000 . 1 . . . 1 A 16 LYS CE . 30030 1 72 . 1 1 6 6 LYS HE2 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE2 . 30030 1 73 . 1 1 6 6 LYS HE3 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE3 . 30030 1 74 . 1 1 6 6 LYS C C 13 175.302 0.000 . 1 . . . 1 A 16 LYS C . 30030 1 75 . 1 1 7 7 HIS N N 15 120.052 0.000 . 1 . . . 1 A 17 HIS N . 30030 1 76 . 1 1 7 7 HIS H H 1 8.473 0.000 . 1 . . . 1 A 17 HIS H . 30030 1 77 . 1 1 7 7 HIS CA C 13 56.523 0.000 . 1 . . . 1 A 17 HIS CA . 30030 1 78 . 1 1 7 7 HIS HA H 1 4.392 0.000 . 1 . . . 1 A 17 HIS HA . 30030 1 79 . 1 1 7 7 HIS CB C 13 30.295 0.000 . 1 . . . 1 A 17 HIS CB . 30030 1 80 . 1 1 7 7 HIS HB2 H 1 2.746 0.000 . 2 . . . 1 A 17 HIS HB2 . 30030 1 81 . 1 1 7 7 HIS HB3 H 1 2.533 0.000 . 2 . . . 1 A 17 HIS HB3 . 30030 1 82 . 1 1 7 7 HIS HD2 H 1 7.007 0.000 . 1 . . . 1 A 17 HIS HD2 . 30030 1 83 . 1 1 7 7 HIS C C 13 174.302 0.000 . 1 . . . 1 A 17 HIS C . 30030 1 84 . 1 1 8 8 CYS N N 15 124.988 0.000 . 1 . . . 1 A 18 CYS N . 30030 1 85 . 1 1 8 8 CYS H H 1 8.638 0.000 . 1 . . . 1 A 18 CYS H . 30030 1 86 . 1 1 8 8 CYS CA C 13 59.126 0.000 . 1 . . . 1 A 18 CYS CA . 30030 1 87 . 1 1 8 8 CYS HA H 1 4.121 0.000 . 1 . . . 1 A 18 CYS HA . 30030 1 88 . 1 1 8 8 CYS CB C 13 32.273 0.000 . 1 . . . 1 A 18 CYS CB . 30030 1 89 . 1 1 8 8 CYS HB2 H 1 3.631 0.000 . 2 . . . 1 A 18 CYS HB2 . 30030 1 90 . 1 1 8 8 CYS HB3 H 1 3.151 0.000 . 2 . . . 1 A 18 CYS HB3 . 30030 1 91 . 1 1 8 8 CYS C C 13 177.561 0.000 . 1 . . . 1 A 18 CYS C . 30030 1 92 . 1 1 9 9 ALA N N 15 133.659 0.000 . 1 . . . 1 A 19 ALA N . 30030 1 93 . 1 1 9 9 ALA H H 1 9.189 0.000 . 1 . . . 1 A 19 ALA H . 30030 1 94 . 1 1 9 9 ALA CA C 13 54.931 0.000 . 1 . . . 1 A 19 ALA CA . 30030 1 95 . 1 1 9 9 ALA HA H 1 4.087 0.000 . 1 . . . 1 A 19 ALA HA . 30030 1 96 . 1 1 9 9 ALA HB1 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB1 . 30030 1 97 . 1 1 9 9 ALA HB2 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB2 . 30030 1 98 . 1 1 9 9 ALA HB3 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB3 . 30030 1 99 . 1 1 9 9 ALA CB C 13 18.194 0.000 . 1 . . . 1 A 19 ALA CB . 30030 1 100 . 1 1 9 9 ALA C C 13 177.381 0.000 . 1 . . . 1 A 19 ALA C . 30030 1 101 . 1 1 10 10 TYR N N 15 119.187 0.000 . 1 . . . 1 A 20 TYR N . 30030 1 102 . 1 1 10 10 TYR H H 1 9.153 0.000 . 1 . . . 1 A 20 TYR H . 30030 1 103 . 1 1 10 10 TYR CA C 13 60.851 0.000 . 1 . . . 1 A 20 TYR CA . 30030 1 104 . 1 1 10 10 TYR HA H 1 4.710 0.000 . 1 . . . 1 A 20 TYR HA . 30030 1 105 . 1 1 10 10 TYR CB C 13 40.907 0.000 . 1 . . . 1 A 20 TYR CB . 30030 1 106 . 1 1 10 10 TYR HB2 H 1 3.327 0.000 . 2 . . . 1 A 20 TYR HB2 . 30030 1 107 . 1 1 10 10 TYR HB3 H 1 2.849 0.000 . 2 . . . 1 A 20 TYR HB3 . 30030 1 108 . 1 1 10 10 TYR HD1 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD1 . 30030 1 109 . 1 1 10 10 TYR HD2 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD2 . 30030 1 110 . 1 1 10 10 TYR HE1 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE1 . 30030 1 111 . 1 1 10 10 TYR HE2 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE2 . 30030 1 112 . 1 1 10 10 TYR CD1 C 13 132.042 0.000 . 3 . . . 1 A 20 TYR CD1 . 30030 1 113 . 1 1 10 10 TYR CE1 C 13 118.164 0.000 . 3 . . . 1 A 20 TYR CE1 . 30030 1 114 . 1 1 10 10 TYR C C 13 176.117 0.000 . 1 . . . 1 A 20 TYR C . 30030 1 115 . 1 1 11 11 CYS N N 15 117.957 0.000 . 1 . . . 1 A 21 CYS N . 30030 1 116 . 1 1 11 11 CYS H H 1 8.574 0.000 . 1 . . . 1 A 21 CYS H . 30030 1 117 . 1 1 11 11 CYS CA C 13 58.635 0.000 . 1 . . . 1 A 21 CYS CA . 30030 1 118 . 1 1 11 11 CYS HA H 1 4.860 0.000 . 1 . . . 1 A 21 CYS HA . 30030 1 119 . 1 1 11 11 CYS CB C 13 33.807 0.000 . 1 . . . 1 A 21 CYS CB . 30030 1 120 . 1 1 11 11 CYS HB2 H 1 3.578 0.000 . 2 . . . 1 A 21 CYS HB2 . 30030 1 121 . 1 1 11 11 CYS HB3 H 1 2.680 0.000 . 2 . . . 1 A 21 CYS HB3 . 30030 1 122 . 1 1 11 11 CYS C C 13 175.977 0.000 . 1 . . . 1 A 21 CYS C . 30030 1 123 . 1 1 12 12 ARG N N 15 116.961 0.000 . 1 . . . 1 A 22 ARG N . 30030 1 124 . 1 1 12 12 ARG H H 1 8.256 0.000 . 1 . . . 1 A 22 ARG H . 30030 1 125 . 1 1 12 12 ARG CA C 13 58.326 0.000 . 1 . . . 1 A 22 ARG CA . 30030 1 126 . 1 1 12 12 ARG HA H 1 4.139 0.000 . 1 . . . 1 A 22 ARG HA . 30030 1 127 . 1 1 12 12 ARG CB C 13 26.949 0.000 . 1 . . . 1 A 22 ARG CB . 30030 1 128 . 1 1 12 12 ARG HB2 H 1 2.213 0.000 . 2 . . . 1 A 22 ARG HB2 . 30030 1 129 . 1 1 12 12 ARG HB3 H 1 2.084 0.000 . 2 . . . 1 A 22 ARG HB3 . 30030 1 130 . 1 1 12 12 ARG CG C 13 27.156 0.000 . 1 . . . 1 A 22 ARG CG . 30030 1 131 . 1 1 12 12 ARG HG2 H 1 1.538 0.000 . 2 . . . 1 A 22 ARG HG2 . 30030 1 132 . 1 1 12 12 ARG HG3 H 1 1.462 0.000 . 2 . . . 1 A 22 ARG HG3 . 30030 1 133 . 1 1 12 12 ARG CD C 13 42.402 0.000 . 1 . . . 1 A 22 ARG CD . 30030 1 134 . 1 1 12 12 ARG HD2 H 1 3.083 0.000 . 2 . . . 1 A 22 ARG HD2 . 30030 1 135 . 1 1 12 12 ARG HD3 H 1 3.062 0.000 . 2 . . . 1 A 22 ARG HD3 . 30030 1 136 . 1 1 12 12 ARG C C 13 175.139 0.000 . 1 . . . 1 A 22 ARG C . 30030 1 137 . 1 1 13 13 GLN N N 15 122.430 0.000 . 1 . . . 1 A 23 GLN N . 30030 1 138 . 1 1 13 13 GLN H H 1 8.695 0.000 . 1 . . . 1 A 23 GLN H . 30030 1 139 . 1 1 13 13 GLN CA C 13 56.952 0.000 . 1 . . . 1 A 23 GLN CA . 30030 1 140 . 1 1 13 13 GLN HA H 1 4.384 0.000 . 1 . . . 1 A 23 GLN HA . 30030 1 141 . 1 1 13 13 GLN CB C 13 30.114 0.000 . 1 . . . 1 A 23 GLN CB . 30030 1 142 . 1 1 13 13 GLN HB2 H 1 2.369 0.000 . 2 . . . 1 A 23 GLN HB2 . 30030 1 143 . 1 1 13 13 GLN HB3 H 1 2.059 0.000 . 2 . . . 1 A 23 GLN HB3 . 30030 1 144 . 1 1 13 13 GLN CG C 13 34.427 0.000 . 1 . . . 1 A 23 GLN CG . 30030 1 145 . 1 1 13 13 GLN HG2 H 1 2.546 0.000 . 2 . . . 1 A 23 GLN HG2 . 30030 1 146 . 1 1 13 13 GLN HG3 H 1 2.493 0.000 . 2 . . . 1 A 23 GLN HG3 . 30030 1 147 . 1 1 13 13 GLN NE2 N 15 113.839 0.000 . 1 . . . 1 A 23 GLN NE2 . 30030 1 148 . 1 1 13 13 GLN HE21 H 1 7.773 0.000 . 2 . . . 1 A 23 GLN HE21 . 30030 1 149 . 1 1 13 13 GLN HE22 H 1 6.946 0.000 . 2 . . . 1 A 23 GLN HE22 . 30030 1 150 . 1 1 13 13 GLN C C 13 176.047 0.000 . 1 . . . 1 A 23 GLN C . 30030 1 151 . 1 1 14 14 LEU N N 15 126.349 0.000 . 1 . . . 1 A 24 LEU N . 30030 1 152 . 1 1 14 14 LEU H H 1 8.599 0.000 . 1 . . . 1 A 24 LEU H . 30030 1 153 . 1 1 14 14 LEU CA C 13 55.380 0.000 . 1 . . . 1 A 24 LEU CA . 30030 1 154 . 1 1 14 14 LEU HA H 1 3.933 0.000 . 1 . . . 1 A 24 LEU HA . 30030 1 155 . 1 1 14 14 LEU CB C 13 42.560 0.000 . 1 . . . 1 A 24 LEU CB . 30030 1 156 . 1 1 14 14 LEU HB2 H 1 1.436 0.000 . 2 . . . 1 A 24 LEU HB2 . 30030 1 157 . 1 1 14 14 LEU HB3 H 1 1.103 0.000 . 2 . . . 1 A 24 LEU HB3 . 30030 1 158 . 1 1 14 14 LEU CG C 13 26.691 0.000 . 1 . . . 1 A 24 LEU CG . 30030 1 159 . 1 1 14 14 LEU HG H 1 0.881 0.000 . 1 . . . 1 A 24 LEU HG . 30030 1 160 . 1 1 14 14 LEU HD11 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD11 . 30030 1 161 . 1 1 14 14 LEU HD12 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD12 . 30030 1 162 . 1 1 14 14 LEU HD13 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD13 . 30030 1 163 . 1 1 14 14 LEU HD21 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD21 . 30030 1 164 . 1 1 14 14 LEU HD22 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD22 . 30030 1 165 . 1 1 14 14 LEU HD23 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD23 . 30030 1 166 . 1 1 14 14 LEU CD1 C 13 24.994 0.000 . 2 . . . 1 A 24 LEU CD1 . 30030 1 167 . 1 1 14 14 LEU CD2 C 13 22.710 0.000 . 2 . . . 1 A 24 LEU CD2 . 30030 1 168 . 1 1 14 14 LEU C C 13 175.913 0.000 . 1 . . . 1 A 24 LEU C . 30030 1 169 . 1 1 15 15 ASP N N 15 127.166 0.000 . 1 . . . 1 A 25 ASP N . 30030 1 170 . 1 1 15 15 ASP H H 1 8.419 0.000 . 1 . . . 1 A 25 ASP H . 30030 1 171 . 1 1 15 15 ASP CA C 13 53.303 0.000 . 1 . . . 1 A 25 ASP CA . 30030 1 172 . 1 1 15 15 ASP HA H 1 4.676 0.000 . 1 . . . 1 A 25 ASP HA . 30030 1 173 . 1 1 15 15 ASP CB C 13 44.747 0.000 . 1 . . . 1 A 25 ASP CB . 30030 1 174 . 1 1 15 15 ASP HB2 H 1 2.507 0.000 . 2 . . . 1 A 25 ASP HB2 . 30030 1 175 . 1 1 15 15 ASP HB3 H 1 2.238 0.000 . 2 . . . 1 A 25 ASP HB3 . 30030 1 176 . 1 1 15 15 ASP C C 13 175.193 0.000 . 1 . . . 1 A 25 ASP C . 30030 1 177 . 1 1 16 16 PHE N N 15 123.189 0.000 . 1 . . . 1 A 26 PHE N . 30030 1 178 . 1 1 16 16 PHE H H 1 8.429 0.000 . 1 . . . 1 A 26 PHE H . 30030 1 179 . 1 1 16 16 PHE CA C 13 59.308 0.000 . 1 . . . 1 A 26 PHE CA . 30030 1 180 . 1 1 16 16 PHE HA H 1 4.411 0.000 . 1 . . . 1 A 26 PHE HA . 30030 1 181 . 1 1 16 16 PHE CB C 13 39.065 0.000 . 1 . . . 1 A 26 PHE CB . 30030 1 182 . 1 1 16 16 PHE HB2 H 1 3.262 0.000 . 2 . . . 1 A 26 PHE HB2 . 30030 1 183 . 1 1 16 16 PHE HB3 H 1 2.869 0.000 . 2 . . . 1 A 26 PHE HB3 . 30030 1 184 . 1 1 16 16 PHE HD1 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD1 . 30030 1 185 . 1 1 16 16 PHE HD2 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD2 . 30030 1 186 . 1 1 16 16 PHE HE1 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE1 . 30030 1 187 . 1 1 16 16 PHE HE2 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE2 . 30030 1 188 . 1 1 16 16 PHE CD1 C 13 131.372 0.000 . 3 . . . 1 A 26 PHE CD1 . 30030 1 189 . 1 1 16 16 PHE CE1 C 13 131.347 0.000 . 3 . . . 1 A 26 PHE CE1 . 30030 1 190 . 1 1 16 16 PHE CZ C 13 129.760 0.000 . 1 . . . 1 A 26 PHE CZ . 30030 1 191 . 1 1 16 16 PHE HZ H 1 7.205 0.000 . 1 . . . 1 A 26 PHE HZ . 30030 1 192 . 1 1 16 16 PHE C C 13 175.318 0.000 . 1 . . . 1 A 26 PHE C . 30030 1 193 . 1 1 17 17 LEU N N 15 123.172 0.000 . 1 . . . 1 A 27 LEU N . 30030 1 194 . 1 1 17 17 LEU H H 1 8.921 0.000 . 1 . . . 1 A 27 LEU H . 30030 1 195 . 1 1 17 17 LEU CA C 13 52.335 0.000 . 1 . . . 1 A 27 LEU CA . 30030 1 196 . 1 1 17 17 LEU HA H 1 4.666 0.000 . 1 . . . 1 A 27 LEU HA . 30030 1 197 . 1 1 17 17 LEU CB C 13 42.418 0.000 . 1 . . . 1 A 27 LEU CB . 30030 1 198 . 1 1 17 17 LEU HB2 H 1 1.624 0.000 . 2 . . . 1 A 27 LEU HB2 . 30030 1 199 . 1 1 17 17 LEU HB3 H 1 1.453 0.000 . 2 . . . 1 A 27 LEU HB3 . 30030 1 200 . 1 1 17 17 LEU CG C 13 26.664 0.000 . 1 . . . 1 A 27 LEU CG . 30030 1 201 . 1 1 17 17 LEU HG H 1 1.438 0.000 . 1 . . . 1 A 27 LEU HG . 30030 1 202 . 1 1 17 17 LEU HD11 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD11 . 30030 1 203 . 1 1 17 17 LEU HD12 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD12 . 30030 1 204 . 1 1 17 17 LEU HD13 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD13 . 30030 1 205 . 1 1 17 17 LEU HD21 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD21 . 30030 1 206 . 1 1 17 17 LEU HD22 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD22 . 30030 1 207 . 1 1 17 17 LEU HD23 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD23 . 30030 1 208 . 1 1 17 17 LEU CD1 C 13 24.434 0.000 . 2 . . . 1 A 27 LEU CD1 . 30030 1 209 . 1 1 17 17 LEU CD2 C 13 24.490 0.000 . 2 . . . 1 A 27 LEU CD2 . 30030 1 210 . 1 1 17 17 LEU C C 13 172.997 0.000 . 1 . . . 1 A 27 LEU C . 30030 1 211 . 1 1 18 18 PRO CD C 13 49.770 0.000 . 1 . . . 1 A 28 PRO CD . 30030 1 212 . 1 1 18 18 PRO CA C 13 63.018 0.000 . 1 . . . 1 A 28 PRO CA . 30030 1 213 . 1 1 18 18 PRO HA H 1 4.409 0.000 . 1 . . . 1 A 28 PRO HA . 30030 1 214 . 1 1 18 18 PRO CB C 13 32.879 0.000 . 1 . . . 1 A 28 PRO CB . 30030 1 215 . 1 1 18 18 PRO HB2 H 1 1.865 0.000 . 2 . . . 1 A 28 PRO HB2 . 30030 1 216 . 1 1 18 18 PRO HB3 H 1 1.734 0.000 . 2 . . . 1 A 28 PRO HB3 . 30030 1 217 . 1 1 18 18 PRO CG C 13 26.952 0.000 . 1 . . . 1 A 28 PRO CG . 30030 1 218 . 1 1 18 18 PRO HG2 H 1 1.850 0.000 . 2 . . . 1 A 28 PRO HG2 . 30030 1 219 . 1 1 18 18 PRO HG3 H 1 1.717 0.000 . 2 . . . 1 A 28 PRO HG3 . 30030 1 220 . 1 1 18 18 PRO HD2 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD2 . 30030 1 221 . 1 1 18 18 PRO HD3 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD3 . 30030 1 222 . 1 1 18 18 PRO C C 13 176.128 0.000 . 1 . . . 1 A 28 PRO C . 30030 1 223 . 1 1 19 19 PHE N N 15 121.004 0.000 . 1 . . . 1 A 29 PHE N . 30030 1 224 . 1 1 19 19 PHE H H 1 9.415 0.000 . 1 . . . 1 A 29 PHE H . 30030 1 225 . 1 1 19 19 PHE CA C 13 57.344 0.000 . 1 . . . 1 A 29 PHE CA . 30030 1 226 . 1 1 19 19 PHE HA H 1 4.598 0.000 . 1 . . . 1 A 29 PHE HA . 30030 1 227 . 1 1 19 19 PHE CB C 13 41.485 0.000 . 1 . . . 1 A 29 PHE CB . 30030 1 228 . 1 1 19 19 PHE HB2 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB2 . 30030 1 229 . 1 1 19 19 PHE HB3 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB3 . 30030 1 230 . 1 1 19 19 PHE HD1 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD1 . 30030 1 231 . 1 1 19 19 PHE HD2 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD2 . 30030 1 232 . 1 1 19 19 PHE HE1 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE1 . 30030 1 233 . 1 1 19 19 PHE HE2 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE2 . 30030 1 234 . 1 1 19 19 PHE CD1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CD1 . 30030 1 235 . 1 1 19 19 PHE CE1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CE1 . 30030 1 236 . 1 1 19 19 PHE CZ C 13 130.072 0.000 . 1 . . . 1 A 29 PHE CZ . 30030 1 237 . 1 1 19 19 PHE HZ H 1 7.421 0.000 . 1 . . . 1 A 29 PHE HZ . 30030 1 238 . 1 1 19 19 PHE C C 13 174.464 0.000 . 1 . . . 1 A 29 PHE C . 30030 1 239 . 1 1 20 20 HIS N N 15 126.259 0.000 . 1 . . . 1 A 30 HIS N . 30030 1 240 . 1 1 20 20 HIS H H 1 8.765 0.000 . 1 . . . 1 A 30 HIS H . 30030 1 241 . 1 1 20 20 HIS CA C 13 55.129 0.000 . 1 . . . 1 A 30 HIS CA . 30030 1 242 . 1 1 20 20 HIS HA H 1 5.116 0.000 . 1 . . . 1 A 30 HIS HA . 30030 1 243 . 1 1 20 20 HIS CB C 13 29.531 0.000 . 1 . . . 1 A 30 HIS CB . 30030 1 244 . 1 1 20 20 HIS HB2 H 1 3.072 0.000 . 2 . . . 1 A 30 HIS HB2 . 30030 1 245 . 1 1 20 20 HIS HB3 H 1 2.923 0.000 . 2 . . . 1 A 30 HIS HB3 . 30030 1 246 . 1 1 20 20 HIS ND1 N 15 178.714 0.000 . 1 . . . 1 A 30 HIS ND1 . 30030 1 247 . 1 1 20 20 HIS CD2 C 13 119.888 0.000 . 1 . . . 1 A 30 HIS CD2 . 30030 1 248 . 1 1 20 20 HIS CE1 C 13 136.395 0.000 . 1 . . . 1 A 30 HIS CE1 . 30030 1 249 . 1 1 20 20 HIS NE2 N 15 179.503 0.000 . 1 . . . 1 A 30 HIS NE2 . 30030 1 250 . 1 1 20 20 HIS HD2 H 1 6.845 0.000 . 1 . . . 1 A 30 HIS HD2 . 30030 1 251 . 1 1 20 20 HIS HE1 H 1 8.079 0.000 . 1 . . . 1 A 30 HIS HE1 . 30030 1 252 . 1 1 20 20 HIS C C 13 173.765 0.000 . 1 . . . 1 A 30 HIS C . 30030 1 253 . 1 1 21 21 CYS N N 15 131.375 0.000 . 1 . . . 1 A 31 CYS N . 30030 1 254 . 1 1 21 21 CYS H H 1 9.019 0.000 . 1 . . . 1 A 31 CYS H . 30030 1 255 . 1 1 21 21 CYS CA C 13 58.831 0.000 . 1 . . . 1 A 31 CYS CA . 30030 1 256 . 1 1 21 21 CYS HA H 1 4.689 0.000 . 1 . . . 1 A 31 CYS HA . 30030 1 257 . 1 1 21 21 CYS CB C 13 31.813 0.000 . 1 . . . 1 A 31 CYS CB . 30030 1 258 . 1 1 21 21 CYS HB2 H 1 3.731 0.000 . 2 . . . 1 A 31 CYS HB2 . 30030 1 259 . 1 1 21 21 CYS HB3 H 1 2.958 0.000 . 2 . . . 1 A 31 CYS HB3 . 30030 1 260 . 1 1 21 21 CYS C C 13 176.764 0.000 . 1 . . . 1 A 31 CYS C . 30030 1 261 . 1 1 22 22 SER N N 15 125.498 0.000 . 1 . . . 1 A 32 SER N . 30030 1 262 . 1 1 22 22 SER H H 1 9.116 0.000 . 1 . . . 1 A 32 SER H . 30030 1 263 . 1 1 22 22 SER CA C 13 60.382 0.000 . 1 . . . 1 A 32 SER CA . 30030 1 264 . 1 1 22 22 SER HA H 1 4.199 0.000 . 1 . . . 1 A 32 SER HA . 30030 1 265 . 1 1 22 22 SER CB C 13 62.931 0.000 . 1 . . . 1 A 32 SER CB . 30030 1 266 . 1 1 22 22 SER HB2 H 1 3.742 0.000 . 2 . . . 1 A 32 SER HB2 . 30030 1 267 . 1 1 22 22 SER HB3 H 1 3.662 0.000 . 2 . . . 1 A 32 SER HB3 . 30030 1 268 . 1 1 22 22 SER C C 13 173.556 0.000 . 1 . . . 1 A 32 SER C . 30030 1 269 . 1 1 23 23 PHE N N 15 121.941 0.000 . 1 . . . 1 A 33 PHE N . 30030 1 270 . 1 1 23 23 PHE H H 1 8.797 0.000 . 1 . . . 1 A 33 PHE H . 30030 1 271 . 1 1 23 23 PHE CA C 13 60.543 0.000 . 1 . . . 1 A 33 PHE CA . 30030 1 272 . 1 1 23 23 PHE HA H 1 4.028 0.000 . 1 . . . 1 A 33 PHE HA . 30030 1 273 . 1 1 23 23 PHE CB C 13 38.639 0.000 . 1 . . . 1 A 33 PHE CB . 30030 1 274 . 1 1 23 23 PHE HB2 H 1 2.995 0.000 . 2 . . . 1 A 33 PHE HB2 . 30030 1 275 . 1 1 23 23 PHE HB3 H 1 2.554 0.000 . 2 . . . 1 A 33 PHE HB3 . 30030 1 276 . 1 1 23 23 PHE HD1 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD1 . 30030 1 277 . 1 1 23 23 PHE HD2 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD2 . 30030 1 278 . 1 1 23 23 PHE HE1 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE1 . 30030 1 279 . 1 1 23 23 PHE HE2 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE2 . 30030 1 280 . 1 1 23 23 PHE CD1 C 13 131.923 0.000 . 3 . . . 1 A 33 PHE CD1 . 30030 1 281 . 1 1 23 23 PHE CE1 C 13 131.066 0.000 . 3 . . . 1 A 33 PHE CE1 . 30030 1 282 . 1 1 23 23 PHE CZ C 13 129.649 0.000 . 1 . . . 1 A 33 PHE CZ . 30030 1 283 . 1 1 23 23 PHE HZ H 1 7.072 0.000 . 1 . . . 1 A 33 PHE HZ . 30030 1 284 . 1 1 23 23 PHE C C 13 176.327 0.000 . 1 . . . 1 A 33 PHE C . 30030 1 285 . 1 1 24 24 CYS N N 15 116.575 0.000 . 1 . . . 1 A 34 CYS N . 30030 1 286 . 1 1 24 24 CYS H H 1 7.964 0.000 . 1 . . . 1 A 34 CYS H . 30030 1 287 . 1 1 24 24 CYS CA C 13 58.093 0.000 . 1 . . . 1 A 34 CYS CA . 30030 1 288 . 1 1 24 24 CYS HA H 1 5.026 0.000 . 1 . . . 1 A 34 CYS HA . 30030 1 289 . 1 1 24 24 CYS CB C 13 32.766 0.000 . 1 . . . 1 A 34 CYS CB . 30030 1 290 . 1 1 24 24 CYS HB2 H 1 3.592 0.000 . 2 . . . 1 A 34 CYS HB2 . 30030 1 291 . 1 1 24 24 CYS HB3 H 1 3.500 0.000 . 2 . . . 1 A 34 CYS HB3 . 30030 1 292 . 1 1 24 24 CYS C C 13 175.512 0.000 . 1 . . . 1 A 34 CYS C . 30030 1 293 . 1 1 25 25 ASN N N 15 119.305 0.000 . 1 . . . 1 A 35 ASN N . 30030 1 294 . 1 1 25 25 ASN H H 1 8.034 0.000 . 1 . . . 1 A 35 ASN H . 30030 1 295 . 1 1 25 25 ASN CA C 13 54.593 0.000 . 1 . . . 1 A 35 ASN CA . 30030 1 296 . 1 1 25 25 ASN HA H 1 4.282 0.000 . 1 . . . 1 A 35 ASN HA . 30030 1 297 . 1 1 25 25 ASN CB C 13 37.536 0.000 . 1 . . . 1 A 35 ASN CB . 30030 1 298 . 1 1 25 25 ASN HB2 H 1 3.303 0.000 . 2 . . . 1 A 35 ASN HB2 . 30030 1 299 . 1 1 25 25 ASN HB3 H 1 2.732 0.000 . 2 . . . 1 A 35 ASN HB3 . 30030 1 300 . 1 1 25 25 ASN ND2 N 15 112.273 0.000 . 1 . . . 1 A 35 ASN ND2 . 30030 1 301 . 1 1 25 25 ASN HD21 H 1 7.588 0.000 . 2 . . . 1 A 35 ASN HD21 . 30030 1 302 . 1 1 25 25 ASN HD22 H 1 6.755 0.000 . 2 . . . 1 A 35 ASN HD22 . 30030 1 303 . 1 1 25 25 ASN C C 13 173.416 0.000 . 1 . . . 1 A 35 ASN C . 30030 1 304 . 1 1 26 26 GLU N N 15 118.124 0.000 . 1 . . . 1 A 36 GLU N . 30030 1 305 . 1 1 26 26 GLU H H 1 7.252 0.000 . 1 . . . 1 A 36 GLU H . 30030 1 306 . 1 1 26 26 GLU CA C 13 54.734 0.000 . 1 . . . 1 A 36 GLU CA . 30030 1 307 . 1 1 26 26 GLU HA H 1 4.604 0.000 . 1 . . . 1 A 36 GLU HA . 30030 1 308 . 1 1 26 26 GLU CB C 13 32.856 0.000 . 1 . . . 1 A 36 GLU CB . 30030 1 309 . 1 1 26 26 GLU HB2 H 1 2.105 0.000 . 2 . . . 1 A 36 GLU HB2 . 30030 1 310 . 1 1 26 26 GLU HB3 H 1 1.467 0.000 . 2 . . . 1 A 36 GLU HB3 . 30030 1 311 . 1 1 26 26 GLU CG C 13 35.806 0.000 . 1 . . . 1 A 36 GLU CG . 30030 1 312 . 1 1 26 26 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 36 GLU HG2 . 30030 1 313 . 1 1 26 26 GLU HG3 H 1 2.226 0.000 . 2 . . . 1 A 36 GLU HG3 . 30030 1 314 . 1 1 26 26 GLU C C 13 172.950 0.000 . 1 . . . 1 A 36 GLU C . 30030 1 315 . 1 1 27 27 ASP N N 15 118.267 0.000 . 1 . . . 1 A 37 ASP N . 30030 1 316 . 1 1 27 27 ASP H H 1 8.175 0.000 . 1 . . . 1 A 37 ASP H . 30030 1 317 . 1 1 27 27 ASP CA C 13 53.537 0.000 . 1 . . . 1 A 37 ASP CA . 30030 1 318 . 1 1 27 27 ASP HA H 1 5.466 0.000 . 1 . . . 1 A 37 ASP HA . 30030 1 319 . 1 1 27 27 ASP CB C 13 44.647 0.000 . 1 . . . 1 A 37 ASP CB . 30030 1 320 . 1 1 27 27 ASP HB2 H 1 2.290 0.000 . 2 . . . 1 A 37 ASP HB2 . 30030 1 321 . 1 1 27 27 ASP HB3 H 1 2.136 0.000 . 2 . . . 1 A 37 ASP HB3 . 30030 1 322 . 1 1 27 27 ASP C C 13 174.161 0.000 . 1 . . . 1 A 37 ASP C . 30030 1 323 . 1 1 28 28 PHE N N 15 116.492 0.000 . 1 . . . 1 A 38 PHE N . 30030 1 324 . 1 1 28 28 PHE H H 1 9.026 0.000 . 1 . . . 1 A 38 PHE H . 30030 1 325 . 1 1 28 28 PHE CA C 13 57.877 0.000 . 1 . . . 1 A 38 PHE CA . 30030 1 326 . 1 1 28 28 PHE HA H 1 5.662 0.000 . 1 . . . 1 A 38 PHE HA . 30030 1 327 . 1 1 28 28 PHE CB C 13 45.543 0.000 . 1 . . . 1 A 38 PHE CB . 30030 1 328 . 1 1 28 28 PHE HB2 H 1 3.412 0.000 . 2 . . . 1 A 38 PHE HB2 . 30030 1 329 . 1 1 28 28 PHE HB3 H 1 2.489 0.000 . 2 . . . 1 A 38 PHE HB3 . 30030 1 330 . 1 1 28 28 PHE CD1 C 13 130.313 0.000 . 3 . . . 1 A 38 PHE CD1 . 30030 1 331 . 1 1 28 28 PHE HD1 H 1 7.727 0.000 . 3 . . . 1 A 38 PHE HD1 . 30030 1 332 . 1 1 28 28 PHE CE1 C 13 132.529 0.000 . 3 . . . 1 A 38 PHE CE1 . 30030 1 333 . 1 1 28 28 PHE HE1 H 1 7.297 0.000 . 3 . . . 1 A 38 PHE HE1 . 30030 1 334 . 1 1 28 28 PHE CZ C 13 130.927 0.000 . 1 . . . 1 A 38 PHE CZ . 30030 1 335 . 1 1 28 28 PHE HZ H 1 6.918 0.000 . 1 . . . 1 A 38 PHE HZ . 30030 1 336 . 1 1 28 28 PHE CE2 C 13 131.423 0.000 . 3 . . . 1 A 38 PHE CE2 . 30030 1 337 . 1 1 28 28 PHE HE2 H 1 6.521 0.000 . 3 . . . 1 A 38 PHE HE2 . 30030 1 338 . 1 1 28 28 PHE CD2 C 13 131.502 0.000 . 3 . . . 1 A 38 PHE CD2 . 30030 1 339 . 1 1 28 28 PHE HD2 H 1 6.797 0.000 . 3 . . . 1 A 38 PHE HD2 . 30030 1 340 . 1 1 28 28 PHE C C 13 175.488 0.000 . 1 . . . 1 A 38 PHE C . 30030 1 341 . 1 1 29 29 CYS N N 15 117.430 0.000 . 1 . . . 1 A 39 CYS N . 30030 1 342 . 1 1 29 29 CYS H H 1 9.388 0.000 . 1 . . . 1 A 39 CYS H . 30030 1 343 . 1 1 29 29 CYS CA C 13 57.559 0.000 . 1 . . . 1 A 39 CYS CA . 30030 1 344 . 1 1 29 29 CYS HA H 1 5.112 0.000 . 1 . . . 1 A 39 CYS HA . 30030 1 345 . 1 1 29 29 CYS CB C 13 31.925 0.000 . 1 . . . 1 A 39 CYS CB . 30030 1 346 . 1 1 29 29 CYS HB2 H 1 3.710 0.000 . 2 . . . 1 A 39 CYS HB2 . 30030 1 347 . 1 1 29 29 CYS HB3 H 1 2.988 0.000 . 2 . . . 1 A 39 CYS HB3 . 30030 1 348 . 1 1 29 29 CYS C C 13 176.746 0.000 . 1 . . . 1 A 39 CYS C . 30030 1 349 . 1 1 30 30 SER N N 15 112.961 0.000 . 1 . . . 1 A 40 SER N . 30030 1 350 . 1 1 30 30 SER H H 1 8.651 0.000 . 1 . . . 1 A 40 SER H . 30030 1 351 . 1 1 30 30 SER CA C 13 62.020 0.000 . 1 . . . 1 A 40 SER CA . 30030 1 352 . 1 1 30 30 SER HA H 1 3.908 0.000 . 1 . . . 1 A 40 SER HA . 30030 1 353 . 1 1 30 30 SER CB C 13 62.951 0.000 . 1 . . . 1 A 40 SER CB . 30030 1 354 . 1 1 30 30 SER HB2 H 1 4.051 0.000 . 2 . . . 1 A 40 SER HB2 . 30030 1 355 . 1 1 30 30 SER HB3 H 1 4.010 0.000 . 2 . . . 1 A 40 SER HB3 . 30030 1 356 . 1 1 30 30 SER C C 13 176.829 0.000 . 1 . . . 1 A 40 SER C . 30030 1 357 . 1 1 31 31 ASN N N 15 118.191 0.000 . 1 . . . 1 A 41 ASN N . 30030 1 358 . 1 1 31 31 ASN H H 1 8.148 0.000 . 1 . . . 1 A 41 ASN H . 30030 1 359 . 1 1 31 31 ASN CA C 13 55.136 0.000 . 1 . . . 1 A 41 ASN CA . 30030 1 360 . 1 1 31 31 ASN HA H 1 4.446 0.000 . 1 . . . 1 A 41 ASN HA . 30030 1 361 . 1 1 31 31 ASN CB C 13 38.236 0.000 . 1 . . . 1 A 41 ASN CB . 30030 1 362 . 1 1 31 31 ASN HB2 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB2 . 30030 1 363 . 1 1 31 31 ASN HB3 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB3 . 30030 1 364 . 1 1 31 31 ASN ND2 N 15 114.441 0.000 . 1 . . . 1 A 41 ASN ND2 . 30030 1 365 . 1 1 31 31 ASN HD21 H 1 7.614 0.000 . 2 . . . 1 A 41 ASN HD21 . 30030 1 366 . 1 1 31 31 ASN HD22 H 1 7.031 0.000 . 2 . . . 1 A 41 ASN HD22 . 30030 1 367 . 1 1 31 31 ASN C C 13 176.606 0.000 . 1 . . . 1 A 41 ASN C . 30030 1 368 . 1 1 32 32 HIS N N 15 118.543 0.000 . 1 . . . 1 A 42 HIS N . 30030 1 369 . 1 1 32 32 HIS H H 1 7.970 0.000 . 1 . . . 1 A 42 HIS H . 30030 1 370 . 1 1 32 32 HIS CA C 13 57.119 0.000 . 1 . . . 1 A 42 HIS CA . 30030 1 371 . 1 1 32 32 HIS HA H 1 4.713 0.000 . 1 . . . 1 A 42 HIS HA . 30030 1 372 . 1 1 32 32 HIS CB C 13 32.070 0.000 . 1 . . . 1 A 42 HIS CB . 30030 1 373 . 1 1 32 32 HIS HB2 H 1 3.431 0.000 . 2 . . . 1 A 42 HIS HB2 . 30030 1 374 . 1 1 32 32 HIS HB3 H 1 3.250 0.000 . 2 . . . 1 A 42 HIS HB3 . 30030 1 375 . 1 1 32 32 HIS ND1 N 15 217.721 0.000 . 1 . . . 1 A 42 HIS ND1 . 30030 1 376 . 1 1 32 32 HIS CD2 C 13 119.893 0.000 . 1 . . . 1 A 42 HIS CD2 . 30030 1 377 . 1 1 32 32 HIS CE1 C 13 139.077 0.000 . 1 . . . 1 A 42 HIS CE1 . 30030 1 378 . 1 1 32 32 HIS NE2 N 15 172.002 0.000 . 1 . . . 1 A 42 HIS NE2 . 30030 1 379 . 1 1 32 32 HIS HD2 H 1 6.930 0.000 . 1 . . . 1 A 42 HIS HD2 . 30030 1 380 . 1 1 32 32 HIS HE1 H 1 8.161 0.000 . 1 . . . 1 A 42 HIS HE1 . 30030 1 381 . 1 1 32 32 HIS C C 13 172.973 0.000 . 1 . . . 1 A 42 HIS C . 30030 1 382 . 1 1 33 33 ARG N N 15 119.773 0.000 . 1 . . . 1 A 43 ARG N . 30030 1 383 . 1 1 33 33 ARG H H 1 7.086 0.000 . 1 . . . 1 A 43 ARG H . 30030 1 384 . 1 1 33 33 ARG CA C 13 59.670 0.000 . 1 . . . 1 A 43 ARG CA . 30030 1 385 . 1 1 33 33 ARG HA H 1 3.811 0.000 . 1 . . . 1 A 43 ARG HA . 30030 1 386 . 1 1 33 33 ARG CB C 13 30.461 0.000 . 1 . . . 1 A 43 ARG CB . 30030 1 387 . 1 1 33 33 ARG HB2 H 1 1.415 0.000 . 2 . . . 1 A 43 ARG HB2 . 30030 1 388 . 1 1 33 33 ARG HB3 H 1 1.329 0.000 . 2 . . . 1 A 43 ARG HB3 . 30030 1 389 . 1 1 33 33 ARG CG C 13 26.213 0.000 . 1 . . . 1 A 43 ARG CG . 30030 1 390 . 1 1 33 33 ARG HG2 H 1 1.384 0.000 . 2 . . . 1 A 43 ARG HG2 . 30030 1 391 . 1 1 33 33 ARG HG3 H 1 1.038 0.000 . 2 . . . 1 A 43 ARG HG3 . 30030 1 392 . 1 1 33 33 ARG CD C 13 43.147 0.000 . 1 . . . 1 A 43 ARG CD . 30030 1 393 . 1 1 33 33 ARG HD2 H 1 2.464 0.000 . 2 . . . 1 A 43 ARG HD2 . 30030 1 394 . 1 1 33 33 ARG HD3 H 1 2.427 0.000 . 2 . . . 1 A 43 ARG HD3 . 30030 1 395 . 1 1 33 33 ARG C C 13 176.490 0.000 . 1 . . . 1 A 43 ARG C . 30030 1 396 . 1 1 34 34 LEU N N 15 119.944 0.000 . 1 . . . 1 A 44 LEU N . 30030 1 397 . 1 1 34 34 LEU H H 1 8.481 0.000 . 1 . . . 1 A 44 LEU H . 30030 1 398 . 1 1 34 34 LEU CA C 13 55.046 0.000 . 1 . . . 1 A 44 LEU CA . 30030 1 399 . 1 1 34 34 LEU HA H 1 4.154 0.000 . 1 . . . 1 A 44 LEU HA . 30030 1 400 . 1 1 34 34 LEU CB C 13 40.285 0.000 . 1 . . . 1 A 44 LEU CB . 30030 1 401 . 1 1 34 34 LEU HB2 H 1 1.712 0.000 . 2 . . . 1 A 44 LEU HB2 . 30030 1 402 . 1 1 34 34 LEU HB3 H 1 1.400 0.000 . 2 . . . 1 A 44 LEU HB3 . 30030 1 403 . 1 1 34 34 LEU CG C 13 26.622 0.000 . 1 . . . 1 A 44 LEU CG . 30030 1 404 . 1 1 34 34 LEU HG H 1 1.607 0.000 . 1 . . . 1 A 44 LEU HG . 30030 1 405 . 1 1 34 34 LEU HD11 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD11 . 30030 1 406 . 1 1 34 34 LEU HD12 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD12 . 30030 1 407 . 1 1 34 34 LEU HD13 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD13 . 30030 1 408 . 1 1 34 34 LEU HD21 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD21 . 30030 1 409 . 1 1 34 34 LEU HD22 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD22 . 30030 1 410 . 1 1 34 34 LEU HD23 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD23 . 30030 1 411 . 1 1 34 34 LEU CD1 C 13 25.184 0.000 . 2 . . . 1 A 44 LEU CD1 . 30030 1 412 . 1 1 34 34 LEU CD2 C 13 22.352 0.000 . 2 . . . 1 A 44 LEU CD2 . 30030 1 413 . 1 1 34 34 LEU C C 13 178.725 0.000 . 1 . . . 1 A 44 LEU C . 30030 1 414 . 1 1 35 35 LYS N N 15 121.685 0.000 . 1 . . . 1 A 45 LYS N . 30030 1 415 . 1 1 35 35 LYS H H 1 8.537 0.000 . 1 . . . 1 A 45 LYS H . 30030 1 416 . 1 1 35 35 LYS CA C 13 60.555 0.000 . 1 . . . 1 A 45 LYS CA . 30030 1 417 . 1 1 35 35 LYS HA H 1 2.434 0.000 . 1 . . . 1 A 45 LYS HA . 30030 1 418 . 1 1 35 35 LYS CB C 13 32.221 0.000 . 1 . . . 1 A 45 LYS CB . 30030 1 419 . 1 1 35 35 LYS HB2 H 1 1.572 0.000 . 2 . . . 1 A 45 LYS HB2 . 30030 1 420 . 1 1 35 35 LYS HB3 H 1 1.274 0.000 . 2 . . . 1 A 45 LYS HB3 . 30030 1 421 . 1 1 35 35 LYS CG C 13 24.777 0.000 . 1 . . . 1 A 45 LYS CG . 30030 1 422 . 1 1 35 35 LYS HG2 H 1 1.725 0.000 . 2 . . . 1 A 45 LYS HG2 . 30030 1 423 . 1 1 35 35 LYS HG3 H 1 1.507 0.000 . 2 . . . 1 A 45 LYS HG3 . 30030 1 424 . 1 1 35 35 LYS CD C 13 29.398 0.000 . 1 . . . 1 A 45 LYS CD . 30030 1 425 . 1 1 35 35 LYS HD2 H 1 1.150 0.000 . 2 . . . 1 A 45 LYS HD2 . 30030 1 426 . 1 1 35 35 LYS HD3 H 1 1.122 0.000 . 2 . . . 1 A 45 LYS HD3 . 30030 1 427 . 1 1 35 35 LYS CE C 13 40.495 0.000 . 1 . . . 1 A 45 LYS CE . 30030 1 428 . 1 1 35 35 LYS HE2 H 1 2.294 0.000 . 2 . . . 1 A 45 LYS HE2 . 30030 1 429 . 1 1 35 35 LYS HE3 H 1 2.063 0.000 . 2 . . . 1 A 45 LYS HE3 . 30030 1 430 . 1 1 35 35 LYS C C 13 178.236 0.000 . 1 . . . 1 A 45 LYS C . 30030 1 431 . 1 1 36 36 GLU N N 15 116.444 0.000 . 1 . . . 1 A 46 GLU N . 30030 1 432 . 1 1 36 36 GLU H H 1 9.528 0.000 . 1 . . . 1 A 46 GLU H . 30030 1 433 . 1 1 36 36 GLU CA C 13 59.280 0.000 . 1 . . . 1 A 46 GLU CA . 30030 1 434 . 1 1 36 36 GLU HA H 1 3.677 0.000 . 1 . . . 1 A 46 GLU HA . 30030 1 435 . 1 1 36 36 GLU CB C 13 28.360 0.000 . 1 . . . 1 A 46 GLU CB . 30030 1 436 . 1 1 36 36 GLU HB2 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB2 . 30030 1 437 . 1 1 36 36 GLU HB3 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB3 . 30030 1 438 . 1 1 36 36 GLU CG C 13 36.525 0.000 . 1 . . . 1 A 46 GLU CG . 30030 1 439 . 1 1 36 36 GLU HG2 H 1 2.256 0.000 . 2 . . . 1 A 46 GLU HG2 . 30030 1 440 . 1 1 36 36 GLU HG3 H 1 2.107 0.000 . 2 . . . 1 A 46 GLU HG3 . 30030 1 441 . 1 1 36 36 GLU C C 13 178.143 0.000 . 1 . . . 1 A 46 GLU C . 30030 1 442 . 1 1 37 37 ASP N N 15 117.352 0.000 . 1 . . . 1 A 47 ASP N . 30030 1 443 . 1 1 37 37 ASP H H 1 6.878 0.000 . 1 . . . 1 A 47 ASP H . 30030 1 444 . 1 1 37 37 ASP CA C 13 55.586 0.000 . 1 . . . 1 A 47 ASP CA . 30030 1 445 . 1 1 37 37 ASP HA H 1 4.516 0.000 . 1 . . . 1 A 47 ASP HA . 30030 1 446 . 1 1 37 37 ASP CB C 13 41.444 0.000 . 1 . . . 1 A 47 ASP CB . 30030 1 447 . 1 1 37 37 ASP HB2 H 1 2.752 0.000 . 2 . . . 1 A 47 ASP HB2 . 30030 1 448 . 1 1 37 37 ASP HB3 H 1 2.536 0.000 . 2 . . . 1 A 47 ASP HB3 . 30030 1 449 . 1 1 37 37 ASP C C 13 176.420 0.000 . 1 . . . 1 A 47 ASP C . 30030 1 450 . 1 1 38 38 HIS N N 15 111.888 0.000 . 1 . . . 1 A 48 HIS N . 30030 1 451 . 1 1 38 38 HIS H H 1 7.003 0.000 . 1 . . . 1 A 48 HIS H . 30030 1 452 . 1 1 38 38 HIS CA C 13 54.165 0.000 . 1 . . . 1 A 48 HIS CA . 30030 1 453 . 1 1 38 38 HIS HA H 1 4.037 0.000 . 1 . . . 1 A 48 HIS HA . 30030 1 454 . 1 1 38 38 HIS CB C 13 28.080 0.000 . 1 . . . 1 A 48 HIS CB . 30030 1 455 . 1 1 38 38 HIS HB2 H 1 3.033 0.000 . 2 . . . 1 A 48 HIS HB2 . 30030 1 456 . 1 1 38 38 HIS HB3 H 1 2.433 0.000 . 2 . . . 1 A 48 HIS HB3 . 30030 1 457 . 1 1 38 38 HIS ND1 N 15 175.806 0.000 . 1 . . . 1 A 48 HIS ND1 . 30030 1 458 . 1 1 38 38 HIS CD2 C 13 128.715 0.000 . 1 . . . 1 A 48 HIS CD2 . 30030 1 459 . 1 1 38 38 HIS HD1 H 1 10.436 0.000 . 1 . . . 1 A 48 HIS HD1 . 30030 1 460 . 1 1 38 38 HIS CE1 C 13 136.782 0.000 . 1 . . . 1 A 48 HIS CE1 . 30030 1 461 . 1 1 38 38 HIS NE2 N 15 215.747 0.000 . 1 . . . 1 A 48 HIS NE2 . 30030 1 462 . 1 1 38 38 HIS HD2 H 1 6.402 0.000 . 1 . . . 1 A 48 HIS HD2 . 30030 1 463 . 1 1 38 38 HIS HE1 H 1 7.397 0.000 . 1 . . . 1 A 48 HIS HE1 . 30030 1 464 . 1 1 38 38 HIS C C 13 172.973 0.000 . 1 . . . 1 A 48 HIS C . 30030 1 465 . 1 1 39 39 HIS N N 15 118.133 0.000 . 1 . . . 1 A 49 HIS N . 30030 1 466 . 1 1 39 39 HIS H H 1 7.226 0.000 . 1 . . . 1 A 49 HIS H . 30030 1 467 . 1 1 39 39 HIS CA C 13 55.746 0.000 . 1 . . . 1 A 49 HIS CA . 30030 1 468 . 1 1 39 39 HIS HA H 1 3.828 0.000 . 1 . . . 1 A 49 HIS HA . 30030 1 469 . 1 1 39 39 HIS CB C 13 26.538 0.000 . 1 . . . 1 A 49 HIS CB . 30030 1 470 . 1 1 39 39 HIS HB2 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB2 . 30030 1 471 . 1 1 39 39 HIS HB3 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB3 . 30030 1 472 . 1 1 39 39 HIS ND1 N 15 186.373 0.000 . 1 . . . 1 A 49 HIS ND1 . 30030 1 473 . 1 1 39 39 HIS CD2 C 13 120.077 0.000 . 1 . . . 1 A 49 HIS CD2 . 30030 1 474 . 1 1 39 39 HIS CE1 C 13 136.171 0.000 . 1 . . . 1 A 49 HIS CE1 . 30030 1 475 . 1 1 39 39 HIS NE2 N 15 177.845 0.000 . 1 . . . 1 A 49 HIS NE2 . 30030 1 476 . 1 1 39 39 HIS HD2 H 1 6.818 0.000 . 1 . . . 1 A 49 HIS HD2 . 30030 1 477 . 1 1 39 39 HIS HE1 H 1 8.042 0.000 . 1 . . . 1 A 49 HIS HE1 . 30030 1 478 . 1 1 39 39 HIS C C 13 173.183 0.000 . 1 . . . 1 A 49 HIS C . 30030 1 479 . 1 1 40 40 CYS N N 15 117.917 0.000 . 1 . . . 1 A 50 CYS N . 30030 1 480 . 1 1 40 40 CYS H H 1 7.455 0.000 . 1 . . . 1 A 50 CYS H . 30030 1 481 . 1 1 40 40 CYS CA C 13 63.166 0.000 . 1 . . . 1 A 50 CYS CA . 30030 1 482 . 1 1 40 40 CYS HA H 1 3.998 0.000 . 1 . . . 1 A 50 CYS HA . 30030 1 483 . 1 1 40 40 CYS CB C 13 30.971 0.000 . 1 . . . 1 A 50 CYS CB . 30030 1 484 . 1 1 40 40 CYS HB2 H 1 2.543 0.000 . 2 . . . 1 A 50 CYS HB2 . 30030 1 485 . 1 1 40 40 CYS HB3 H 1 2.436 0.000 . 2 . . . 1 A 50 CYS HB3 . 30030 1 486 . 1 1 40 40 CYS C C 13 178.446 0.000 . 1 . . . 1 A 50 CYS C . 30030 1 487 . 1 1 41 41 ARG N N 15 131.668 0.000 . 1 . . . 1 A 51 ARG N . 30030 1 488 . 1 1 41 41 ARG H H 1 9.280 0.000 . 1 . . . 1 A 51 ARG H . 30030 1 489 . 1 1 41 41 ARG CA C 13 59.211 0.000 . 1 . . . 1 A 51 ARG CA . 30030 1 490 . 1 1 41 41 ARG HA H 1 4.203 0.000 . 1 . . . 1 A 51 ARG HA . 30030 1 491 . 1 1 41 41 ARG CB C 13 30.274 0.000 . 1 . . . 1 A 51 ARG CB . 30030 1 492 . 1 1 41 41 ARG HB2 H 1 2.125 0.000 . 2 . . . 1 A 51 ARG HB2 . 30030 1 493 . 1 1 41 41 ARG HB3 H 1 2.032 0.000 . 2 . . . 1 A 51 ARG HB3 . 30030 1 494 . 1 1 41 41 ARG CG C 13 27.391 0.000 . 1 . . . 1 A 51 ARG CG . 30030 1 495 . 1 1 41 41 ARG HG2 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG2 . 30030 1 496 . 1 1 41 41 ARG HG3 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG3 . 30030 1 497 . 1 1 41 41 ARG CD C 13 43.483 0.000 . 1 . . . 1 A 51 ARG CD . 30030 1 498 . 1 1 41 41 ARG HD2 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD2 . 30030 1 499 . 1 1 41 41 ARG HD3 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD3 . 30030 1 500 . 1 1 41 41 ARG C C 13 177.633 0.000 . 1 . . . 1 A 51 ARG C . 30030 1 501 . 1 1 42 42 TRP N N 15 121.530 0.000 . 1 . . . 1 A 52 TRP N . 30030 1 502 . 1 1 42 42 TRP H H 1 8.542 0.000 . 1 . . . 1 A 52 TRP H . 30030 1 503 . 1 1 42 42 TRP CA C 13 61.099 0.000 . 1 . . . 1 A 52 TRP CA . 30030 1 504 . 1 1 42 42 TRP HA H 1 4.370 0.000 . 1 . . . 1 A 52 TRP HA . 30030 1 505 . 1 1 42 42 TRP CB C 13 31.152 0.000 . 1 . . . 1 A 52 TRP CB . 30030 1 506 . 1 1 42 42 TRP HB2 H 1 3.541 0.000 . 2 . . . 1 A 52 TRP HB2 . 30030 1 507 . 1 1 42 42 TRP HB3 H 1 3.240 0.000 . 2 . . . 1 A 52 TRP HB3 . 30030 1 508 . 1 1 42 42 TRP CD1 C 13 127.533 0.000 . 1 . . . 1 A 52 TRP CD1 . 30030 1 509 . 1 1 42 42 TRP CE3 C 13 119.715 0.000 . 1 . . . 1 A 52 TRP CE3 . 30030 1 510 . 1 1 42 42 TRP NE1 N 15 130.203 0.000 . 1 . . . 1 A 52 TRP NE1 . 30030 1 511 . 1 1 42 42 TRP HD1 H 1 7.237 0.000 . 1 . . . 1 A 52 TRP HD1 . 30030 1 512 . 1 1 42 42 TRP HE3 H 1 7.113 0.000 . 1 . . . 1 A 52 TRP HE3 . 30030 1 513 . 1 1 42 42 TRP CZ3 C 13 121.754 0.000 . 1 . . . 1 A 52 TRP CZ3 . 30030 1 514 . 1 1 42 42 TRP CZ2 C 13 114.741 0.000 . 1 . . . 1 A 52 TRP CZ2 . 30030 1 515 . 1 1 42 42 TRP HE1 H 1 10.214 0.000 . 1 . . . 1 A 52 TRP HE1 . 30030 1 516 . 1 1 42 42 TRP HZ3 H 1 6.844 0.000 . 1 . . . 1 A 52 TRP HZ3 . 30030 1 517 . 1 1 42 42 TRP CH2 C 13 124.585 0.000 . 1 . . . 1 A 52 TRP CH2 . 30030 1 518 . 1 1 42 42 TRP HZ2 H 1 7.313 0.000 . 1 . . . 1 A 52 TRP HZ2 . 30030 1 519 . 1 1 42 42 TRP HH2 H 1 7.021 0.000 . 1 . . . 1 A 52 TRP HH2 . 30030 1 520 . 1 1 42 42 TRP C C 13 178.259 0.000 . 1 . . . 1 A 52 TRP C . 30030 1 521 . 1 1 43 43 LEU N N 15 116.211 0.000 . 1 . . . 1 A 53 LEU N . 30030 1 522 . 1 1 43 43 LEU H H 1 7.646 0.000 . 1 . . . 1 A 53 LEU H . 30030 1 523 . 1 1 43 43 LEU CA C 13 56.737 0.000 . 1 . . . 1 A 53 LEU CA . 30030 1 524 . 1 1 43 43 LEU HA H 1 3.950 0.000 . 1 . . . 1 A 53 LEU HA . 30030 1 525 . 1 1 43 43 LEU CB C 13 41.934 0.000 . 1 . . . 1 A 53 LEU CB . 30030 1 526 . 1 1 43 43 LEU HB2 H 1 1.811 0.000 . 2 . . . 1 A 53 LEU HB2 . 30030 1 527 . 1 1 43 43 LEU HB3 H 1 1.565 0.000 . 2 . . . 1 A 53 LEU HB3 . 30030 1 528 . 1 1 43 43 LEU CG C 13 27.493 0.000 . 1 . . . 1 A 53 LEU CG . 30030 1 529 . 1 1 43 43 LEU HG H 1 1.561 0.000 . 1 . . . 1 A 53 LEU HG . 30030 1 530 . 1 1 43 43 LEU HD11 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD11 . 30030 1 531 . 1 1 43 43 LEU HD12 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD12 . 30030 1 532 . 1 1 43 43 LEU HD13 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD13 . 30030 1 533 . 1 1 43 43 LEU HD21 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD21 . 30030 1 534 . 1 1 43 43 LEU HD22 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD22 . 30030 1 535 . 1 1 43 43 LEU HD23 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD23 . 30030 1 536 . 1 1 43 43 LEU CD1 C 13 25.344 0.000 . 2 . . . 1 A 53 LEU CD1 . 30030 1 537 . 1 1 43 43 LEU CD2 C 13 23.231 0.000 . 2 . . . 1 A 53 LEU CD2 . 30030 1 538 . 1 1 43 43 LEU C C 13 178.166 0.000 . 1 . . . 1 A 53 LEU C . 30030 1 539 . 1 1 44 44 LEU N N 15 117.852 0.000 . 1 . . . 1 A 54 LEU N . 30030 1 540 . 1 1 44 44 LEU H H 1 7.397 0.000 . 1 . . . 1 A 54 LEU H . 30030 1 541 . 1 1 44 44 LEU CA C 13 56.205 0.000 . 1 . . . 1 A 54 LEU CA . 30030 1 542 . 1 1 44 44 LEU HA H 1 4.163 0.000 . 1 . . . 1 A 54 LEU HA . 30030 1 543 . 1 1 44 44 LEU CB C 13 42.037 0.000 . 1 . . . 1 A 54 LEU CB . 30030 1 544 . 1 1 44 44 LEU HB2 H 1 1.789 0.000 . 2 . . . 1 A 54 LEU HB2 . 30030 1 545 . 1 1 44 44 LEU HB3 H 1 1.601 0.000 . 2 . . . 1 A 54 LEU HB3 . 30030 1 546 . 1 1 44 44 LEU CG C 13 27.014 0.000 . 1 . . . 1 A 54 LEU CG . 30030 1 547 . 1 1 44 44 LEU HG H 1 1.633 0.000 . 1 . . . 1 A 54 LEU HG . 30030 1 548 . 1 1 44 44 LEU HD11 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD11 . 30030 1 549 . 1 1 44 44 LEU HD12 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD12 . 30030 1 550 . 1 1 44 44 LEU HD13 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD13 . 30030 1 551 . 1 1 44 44 LEU HD21 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD21 . 30030 1 552 . 1 1 44 44 LEU HD22 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD22 . 30030 1 553 . 1 1 44 44 LEU HD23 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD23 . 30030 1 554 . 1 1 44 44 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 54 LEU CD1 . 30030 1 555 . 1 1 44 44 LEU CD2 C 13 23.029 0.000 . 2 . . . 1 A 54 LEU CD2 . 30030 1 556 . 1 1 44 44 LEU C C 13 178.306 0.000 . 1 . . . 1 A 54 LEU C . 30030 1 557 . 1 1 45 45 GLU N N 15 116.902 0.000 . 1 . . . 1 A 55 GLU N . 30030 1 558 . 1 1 45 45 GLU H H 1 7.553 0.000 . 1 . . . 1 A 55 GLU H . 30030 1 559 . 1 1 45 45 GLU CA C 13 56.492 0.000 . 1 . . . 1 A 55 GLU CA . 30030 1 560 . 1 1 45 45 GLU HA H 1 4.147 0.000 . 1 . . . 1 A 55 GLU HA . 30030 1 561 . 1 1 45 45 GLU CB C 13 30.655 0.000 . 1 . . . 1 A 55 GLU CB . 30030 1 562 . 1 1 45 45 GLU HB2 H 1 1.816 0.000 . 2 . . . 1 A 55 GLU HB2 . 30030 1 563 . 1 1 45 45 GLU HB3 H 1 1.710 0.000 . 2 . . . 1 A 55 GLU HB3 . 30030 1 564 . 1 1 45 45 GLU CG C 13 36.412 0.000 . 1 . . . 1 A 55 GLU CG . 30030 1 565 . 1 1 45 45 GLU HG2 H 1 2.212 0.000 . 2 . . . 1 A 55 GLU HG2 . 30030 1 566 . 1 1 45 45 GLU HG3 H 1 2.067 0.000 . 2 . . . 1 A 55 GLU HG3 . 30030 1 567 . 1 1 45 45 GLU C C 13 175.907 0.000 . 1 . . . 1 A 55 GLU C . 30030 1 568 . 1 1 46 46 HIS N N 15 117.411 0.000 . 1 . . . 1 A 56 HIS N . 30030 1 569 . 1 1 46 46 HIS H H 1 7.595 0.000 . 1 . . . 1 A 56 HIS H . 30030 1 570 . 1 1 46 46 HIS CA C 13 55.576 0.000 . 1 . . . 1 A 56 HIS CA . 30030 1 571 . 1 1 46 46 HIS HA H 1 4.415 0.000 . 1 . . . 1 A 56 HIS HA . 30030 1 572 . 1 1 46 46 HIS CB C 13 29.063 0.000 . 1 . . . 1 A 56 HIS CB . 30030 1 573 . 1 1 46 46 HIS HB2 H 1 2.706 0.000 . 2 . . . 1 A 56 HIS HB2 . 30030 1 574 . 1 1 46 46 HIS HB3 H 1 2.218 0.000 . 2 . . . 1 A 56 HIS HB3 . 30030 1 575 . 1 1 46 46 HIS ND1 N 15 192.381 0.000 . 1 . . . 1 A 56 HIS ND1 . 30030 1 576 . 1 1 46 46 HIS CD2 C 13 119.297 0.000 . 1 . . . 1 A 56 HIS CD2 . 30030 1 577 . 1 1 46 46 HIS CE1 C 13 136.704 0.000 . 1 . . . 1 A 56 HIS CE1 . 30030 1 578 . 1 1 46 46 HIS NE2 N 15 176.266 0.000 . 1 . . . 1 A 56 HIS NE2 . 30030 1 579 . 1 1 46 46 HIS HD2 H 1 6.728 0.000 . 1 . . . 1 A 56 HIS HD2 . 30030 1 580 . 1 1 46 46 HIS HE1 H 1 8.316 0.000 . 1 . . . 1 A 56 HIS HE1 . 30030 1 581 . 1 1 46 46 HIS C C 13 173.672 0.000 . 1 . . . 1 A 56 HIS C . 30030 1 582 . 1 1 47 47 GLU N N 15 121.390 0.000 . 1 . . . 1 A 57 GLU N . 30030 1 583 . 1 1 47 47 GLU H H 1 8.072 0.000 . 1 . . . 1 A 57 GLU H . 30030 1 584 . 1 1 47 47 GLU CA C 13 56.352 0.000 . 1 . . . 1 A 57 GLU CA . 30030 1 585 . 1 1 47 47 GLU HA H 1 4.254 0.000 . 1 . . . 1 A 57 GLU HA . 30030 1 586 . 1 1 47 47 GLU CB C 13 30.704 0.000 . 1 . . . 1 A 57 GLU CB . 30030 1 587 . 1 1 47 47 GLU HB2 H 1 1.972 0.000 . 2 . . . 1 A 57 GLU HB2 . 30030 1 588 . 1 1 47 47 GLU HB3 H 1 1.872 0.000 . 2 . . . 1 A 57 GLU HB3 . 30030 1 589 . 1 1 47 47 GLU CG C 13 36.287 0.000 . 1 . . . 1 A 57 GLU CG . 30030 1 590 . 1 1 47 47 GLU HG2 H 1 2.208 0.000 . 2 . . . 1 A 57 GLU HG2 . 30030 1 591 . 1 1 47 47 GLU HG3 H 1 2.158 0.000 . 2 . . . 1 A 57 GLU HG3 . 30030 1 592 . 1 1 47 47 GLU C C 13 176.094 0.000 . 1 . . . 1 A 57 GLU C . 30030 1 593 . 1 1 48 48 GLU N N 15 123.199 0.000 . 1 . . . 1 A 58 GLU N . 30030 1 594 . 1 1 48 48 GLU H H 1 8.494 0.000 . 1 . . . 1 A 58 GLU H . 30030 1 595 . 1 1 48 48 GLU CA C 13 56.511 0.000 . 1 . . . 1 A 58 GLU CA . 30030 1 596 . 1 1 48 48 GLU HA H 1 4.360 0.000 . 1 . . . 1 A 58 GLU HA . 30030 1 597 . 1 1 48 48 GLU CB C 13 30.351 0.000 . 1 . . . 1 A 58 GLU CB . 30030 1 598 . 1 1 48 48 GLU HB2 H 1 2.054 0.000 . 2 . . . 1 A 58 GLU HB2 . 30030 1 599 . 1 1 48 48 GLU HB3 H 1 1.908 0.000 . 2 . . . 1 A 58 GLU HB3 . 30030 1 600 . 1 1 48 48 GLU CG C 13 36.290 0.000 . 1 . . . 1 A 58 GLU CG . 30030 1 601 . 1 1 48 48 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 58 GLU HG2 . 30030 1 602 . 1 1 48 48 GLU HG3 H 1 2.221 0.000 . 2 . . . 1 A 58 GLU HG3 . 30030 1 603 . 1 1 48 48 GLU C C 13 175.512 0.000 . 1 . . . 1 A 58 GLU C . 30030 1 604 . 1 1 49 49 VAL N N 15 125.675 0.000 . 1 . . . 1 A 59 VAL N . 30030 1 605 . 1 1 49 49 VAL H H 1 7.785 0.000 . 1 . . . 1 A 59 VAL H . 30030 1 606 . 1 1 49 49 VAL CA C 13 63.582 0.000 . 1 . . . 1 A 59 VAL CA . 30030 1 607 . 1 1 49 49 VAL HA H 1 4.050 0.000 . 1 . . . 1 A 59 VAL HA . 30030 1 608 . 1 1 49 49 VAL CB C 13 33.290 0.000 . 1 . . . 1 A 59 VAL CB . 30030 1 609 . 1 1 49 49 VAL HB H 1 2.079 0.000 . 1 . . . 1 A 59 VAL HB . 30030 1 610 . 1 1 49 49 VAL HG11 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG11 . 30030 1 611 . 1 1 49 49 VAL HG12 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG12 . 30030 1 612 . 1 1 49 49 VAL HG13 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG13 . 30030 1 613 . 1 1 49 49 VAL HG21 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG21 . 30030 1 614 . 1 1 49 49 VAL HG22 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG22 . 30030 1 615 . 1 1 49 49 VAL HG23 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG23 . 30030 1 616 . 1 1 49 49 VAL CG1 C 13 21.631 0.000 . 2 . . . 1 A 59 VAL CG1 . 30030 1 617 . 1 1 49 49 VAL CG2 C 13 20.107 0.000 . 2 . . . 1 A 59 VAL CG2 . 30030 1 618 . 1 1 49 49 VAL C C 13 181.007 0.000 . 1 . . . 1 A 59 VAL C . 30030 1 stop_ save_