################################### # 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 31081 _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 '3D HNCA' . . . 31081 1 2 '3D HNCO' . . . 31081 1 3 '3D CBCA(CO)NH' . . . 31081 1 4 '3D HBHA(CO)NH' . . . 31081 1 5 '3D 1H-15N NOESY' . . . 31081 1 6 '3D 1H-13C NOESY aliphatic' . . . 31081 1 7 '3D 1H-13C NOESY aromatic' . . . 31081 1 8 '2D 1H-15N HSQC' . . . 31081 1 9 '2D 1H-13C HSQC' . . . 31081 1 10 '3D HCCH-TOCSY' . . . 31081 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 13 13 GLY HA2 H 1 3.891 0.04 . 2 . . . . A 13 GLY HA2 . 31081 1 2 . 1 . 1 13 13 GLY HA3 H 1 3.891 0.04 . 2 . . . . A 13 GLY HA3 . 31081 1 3 . 1 . 1 13 13 GLY C C 13 173.796 0.40 . 1 . . . . A 13 GLY C . 31081 1 4 . 1 . 1 13 13 GLY CA C 13 45.261 0.40 . 1 . . . . A 13 GLY CA . 31081 1 5 . 1 . 1 14 14 LEU H H 1 7.976 0.04 . 1 . . . . A 14 LEU H . 31081 1 6 . 1 . 1 14 14 LEU HA H 1 4.277 0.04 . 1 . . . . A 14 LEU HA . 31081 1 7 . 1 . 1 14 14 LEU HB2 H 1 1.502 0.04 . 2 . . . . A 14 LEU HB2 . 31081 1 8 . 1 . 1 14 14 LEU HB3 H 1 1.457 0.04 . 2 . . . . A 14 LEU HB3 . 31081 1 9 . 1 . 1 14 14 LEU HG H 1 1.448 0.04 . 1 . . . . A 14 LEU HG . 31081 1 10 . 1 . 1 14 14 LEU HD11 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD11 . 31081 1 11 . 1 . 1 14 14 LEU HD12 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD12 . 31081 1 12 . 1 . 1 14 14 LEU HD13 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD13 . 31081 1 13 . 1 . 1 14 14 LEU HD21 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD21 . 31081 1 14 . 1 . 1 14 14 LEU HD22 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD22 . 31081 1 15 . 1 . 1 14 14 LEU HD23 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD23 . 31081 1 16 . 1 . 1 14 14 LEU C C 13 177.052 0.40 . 1 . . . . A 14 LEU C . 31081 1 17 . 1 . 1 14 14 LEU CA C 13 55.085 0.40 . 1 . . . . A 14 LEU CA . 31081 1 18 . 1 . 1 14 14 LEU CB C 13 42.364 0.40 . 1 . . . . A 14 LEU CB . 31081 1 19 . 1 . 1 14 14 LEU CG C 13 26.845 0.40 . 1 . . . . A 14 LEU CG . 31081 1 20 . 1 . 1 14 14 LEU CD1 C 13 24.756 0.40 . 2 . . . . A 14 LEU CD1 . 31081 1 21 . 1 . 1 14 14 LEU CD2 C 13 23.394 0.40 . 2 . . . . A 14 LEU CD2 . 31081 1 22 . 1 . 1 14 14 LEU N N 15 121.531 0.40 . 1 . . . . A 14 LEU N . 31081 1 23 . 1 . 1 15 15 VAL H H 1 7.997 0.04 . 1 . . . . A 15 VAL H . 31081 1 24 . 1 . 1 15 15 VAL N N 15 122.435 0.40 . 1 . . . . A 15 VAL N . 31081 1 25 . 1 . 1 16 16 PRO HA H 1 4.317 0.04 . 1 . . . . A 16 PRO HA . 31081 1 26 . 1 . 1 16 16 PRO HB2 H 1 2.167 0.04 . 2 . . . . A 16 PRO HB2 . 31081 1 27 . 1 . 1 16 16 PRO HB3 H 1 1.789 0.04 . 2 . . . . A 16 PRO HB3 . 31081 1 28 . 1 . 1 16 16 PRO HG2 H 1 1.924 0.04 . 2 . . . . A 16 PRO HG2 . 31081 1 29 . 1 . 1 16 16 PRO HG3 H 1 1.860 0.04 . 2 . . . . A 16 PRO HG3 . 31081 1 30 . 1 . 1 16 16 PRO HD2 H 1 3.750 0.04 . 2 . . . . A 16 PRO HD2 . 31081 1 31 . 1 . 1 16 16 PRO HD3 H 1 3.547 0.04 . 2 . . . . A 16 PRO HD3 . 31081 1 32 . 1 . 1 16 16 PRO C C 13 176.794 0.40 . 1 . . . . A 16 PRO C . 31081 1 33 . 1 . 1 16 16 PRO CA C 13 63.135 0.40 . 1 . . . . A 16 PRO CA . 31081 1 34 . 1 . 1 16 16 PRO CB C 13 32.055 0.40 . 1 . . . . A 16 PRO CB . 31081 1 35 . 1 . 1 16 16 PRO CG C 13 27.360 0.40 . 1 . . . . A 16 PRO CG . 31081 1 36 . 1 . 1 16 16 PRO CD C 13 51.004 0.40 . 1 . . . . A 16 PRO CD . 31081 1 37 . 1 . 1 17 17 ARG H H 1 8.411 0.04 . 1 . . . . A 17 ARG H . 31081 1 38 . 1 . 1 17 17 ARG N N 15 122.086 0.40 . 1 . . . . A 17 ARG N . 31081 1 39 . 1 . 1 21 21 MET HA H 1 4.442 0.04 . 1 . . . . A 21 MET HA . 31081 1 40 . 1 . 1 21 21 MET HB2 H 1 1.900 0.04 . 2 . . . . A 21 MET HB2 . 31081 1 41 . 1 . 1 21 21 MET HB3 H 1 1.900 0.04 . 2 . . . . A 21 MET HB3 . 31081 1 42 . 1 . 1 21 21 MET HG2 H 1 2.341 0.04 . 2 . . . . A 21 MET HG2 . 31081 1 43 . 1 . 1 21 21 MET HG3 H 1 2.307 0.04 . 2 . . . . A 21 MET HG3 . 31081 1 44 . 1 . 1 21 21 MET C C 13 175.541 0.40 . 1 . . . . A 21 MET C . 31081 1 45 . 1 . 1 21 21 MET CA C 13 55.257 0.40 . 1 . . . . A 21 MET CA . 31081 1 46 . 1 . 1 21 21 MET CB C 13 33.129 0.40 . 1 . . . . A 21 MET CB . 31081 1 47 . 1 . 1 21 21 MET CG C 13 31.738 0.40 . 1 . . . . A 21 MET CG . 31081 1 48 . 1 . 1 22 22 THR H H 1 8.075 0.04 . 1 . . . . A 22 THR H . 31081 1 49 . 1 . 1 22 22 THR HA H 1 4.476 0.04 . 1 . . . . A 22 THR HA . 31081 1 50 . 1 . 1 22 22 THR HB H 1 3.914 0.04 . 1 . . . . A 22 THR HB . 31081 1 51 . 1 . 1 22 22 THR HG21 H 1 0.962 0.04 . 1 . . . . A 22 THR HG21 . 31081 1 52 . 1 . 1 22 22 THR HG22 H 1 0.962 0.04 . 1 . . . . A 22 THR HG22 . 31081 1 53 . 1 . 1 22 22 THR HG23 H 1 0.962 0.04 . 1 . . . . A 22 THR HG23 . 31081 1 54 . 1 . 1 22 22 THR C C 13 174.053 0.40 . 1 . . . . A 22 THR C . 31081 1 55 . 1 . 1 22 22 THR CA C 13 62.004 0.40 . 1 . . . . A 22 THR CA . 31081 1 56 . 1 . 1 22 22 THR CB C 13 69.981 0.40 . 1 . . . . A 22 THR CB . 31081 1 57 . 1 . 1 22 22 THR CG2 C 13 21.919 0.40 . 1 . . . . A 22 THR CG2 . 31081 1 58 . 1 . 1 22 22 THR N N 15 117.228 0.40 . 1 . . . . A 22 THR N . 31081 1 59 . 1 . 1 23 23 THR H H 1 8.397 0.04 . 1 . . . . A 23 THR H . 31081 1 60 . 1 . 1 23 23 THR HA H 1 4.214 0.04 . 1 . . . . A 23 THR HA . 31081 1 61 . 1 . 1 23 23 THR HB H 1 3.624 0.04 . 1 . . . . A 23 THR HB . 31081 1 62 . 1 . 1 23 23 THR HG21 H 1 0.644 0.04 . 1 . . . . A 23 THR HG21 . 31081 1 63 . 1 . 1 23 23 THR HG22 H 1 0.644 0.04 . 1 . . . . A 23 THR HG22 . 31081 1 64 . 1 . 1 23 23 THR HG23 H 1 0.644 0.04 . 1 . . . . A 23 THR HG23 . 31081 1 65 . 1 . 1 23 23 THR C C 13 172.000 0.40 . 1 . . . . A 23 THR C . 31081 1 66 . 1 . 1 23 23 THR CA C 13 61.914 0.40 . 1 . . . . A 23 THR CA . 31081 1 67 . 1 . 1 23 23 THR CB C 13 70.238 0.40 . 1 . . . . A 23 THR CB . 31081 1 68 . 1 . 1 23 23 THR CG2 C 13 21.060 0.40 . 1 . . . . A 23 THR CG2 . 31081 1 69 . 1 . 1 23 23 THR N N 15 120.556 0.40 . 1 . . . . A 23 THR N . 31081 1 70 . 1 . 1 24 24 ARG H H 1 8.012 0.04 . 1 . . . . A 24 ARG H . 31081 1 71 . 1 . 1 24 24 ARG HA H 1 5.100 0.04 . 1 . . . . A 24 ARG HA . 31081 1 72 . 1 . 1 24 24 ARG HB2 H 1 1.409 0.04 . 2 . . . . A 24 ARG HB2 . 31081 1 73 . 1 . 1 24 24 ARG HB3 H 1 1.409 0.04 . 2 . . . . A 24 ARG HB3 . 31081 1 74 . 1 . 1 24 24 ARG HG2 H 1 1.331 0.04 . 2 . . . . A 24 ARG HG2 . 31081 1 75 . 1 . 1 24 24 ARG HG3 H 1 1.201 0.04 . 2 . . . . A 24 ARG HG3 . 31081 1 76 . 1 . 1 24 24 ARG HD2 H 1 3.015 0.04 . 2 . . . . A 24 ARG HD2 . 31081 1 77 . 1 . 1 24 24 ARG HD3 H 1 2.934 0.04 . 2 . . . . A 24 ARG HD3 . 31081 1 78 . 1 . 1 24 24 ARG C C 13 174.606 0.40 . 1 . . . . A 24 ARG C . 31081 1 79 . 1 . 1 24 24 ARG CA C 13 54.487 0.40 . 1 . . . . A 24 ARG CA . 31081 1 80 . 1 . 1 24 24 ARG CB C 13 32.890 0.40 . 1 . . . . A 24 ARG CB . 31081 1 81 . 1 . 1 24 24 ARG CG C 13 27.905 0.40 . 1 . . . . A 24 ARG CG . 31081 1 82 . 1 . 1 24 24 ARG CD C 13 43.186 0.40 . 1 . . . . A 24 ARG CD . 31081 1 83 . 1 . 1 24 24 ARG N N 15 123.702 0.40 . 1 . . . . A 24 ARG N . 31081 1 84 . 1 . 1 25 25 TYR H H 1 8.909 0.04 . 1 . . . . A 25 TYR H . 31081 1 85 . 1 . 1 25 25 TYR HA H 1 4.510 0.04 . 1 . . . . A 25 TYR HA . 31081 1 86 . 1 . 1 25 25 TYR HB2 H 1 2.938 0.04 . 2 . . . . A 25 TYR HB2 . 31081 1 87 . 1 . 1 25 25 TYR HB3 H 1 2.729 0.04 . 2 . . . . A 25 TYR HB3 . 31081 1 88 . 1 . 1 25 25 TYR HD1 H 1 6.877 0.04 . 3 . . . . A 25 TYR HD1 . 31081 1 89 . 1 . 1 25 25 TYR HD2 H 1 6.877 0.04 . 3 . . . . A 25 TYR HD2 . 31081 1 90 . 1 . 1 25 25 TYR HE1 H 1 6.257 0.04 . 3 . . . . A 25 TYR HE1 . 31081 1 91 . 1 . 1 25 25 TYR HE2 H 1 6.257 0.04 . 3 . . . . A 25 TYR HE2 . 31081 1 92 . 1 . 1 25 25 TYR C C 13 174.320 0.40 . 1 . . . . A 25 TYR C . 31081 1 93 . 1 . 1 25 25 TYR CA C 13 57.026 0.40 . 1 . . . . A 25 TYR CA . 31081 1 94 . 1 . 1 25 25 TYR CB C 13 41.943 0.40 . 1 . . . . A 25 TYR CB . 31081 1 95 . 1 . 1 25 25 TYR CD1 C 13 133.047 0.40 . 3 . . . . A 25 TYR CD1 . 31081 1 96 . 1 . 1 25 25 TYR CD2 C 13 133.047 0.40 . 3 . . . . A 25 TYR CD2 . 31081 1 97 . 1 . 1 25 25 TYR CE1 C 13 118.076 0.40 . 3 . . . . A 25 TYR CE1 . 31081 1 98 . 1 . 1 25 25 TYR CE2 C 13 118.076 0.40 . 3 . . . . A 25 TYR CE2 . 31081 1 99 . 1 . 1 25 25 TYR N N 15 123.507 0.40 . 1 . . . . A 25 TYR N . 31081 1 100 . 1 . 1 26 26 ARG H H 1 8.445 0.04 . 1 . . . . A 26 ARG H . 31081 1 101 . 1 . 1 26 26 ARG HA H 1 5.146 0.04 . 1 . . . . A 26 ARG HA . 31081 1 102 . 1 . 1 26 26 ARG HB2 H 1 1.463 0.04 . 2 . . . . A 26 ARG HB2 . 31081 1 103 . 1 . 1 26 26 ARG HB3 H 1 1.463 0.04 . 2 . . . . A 26 ARG HB3 . 31081 1 104 . 1 . 1 26 26 ARG HG2 H 1 1.350 0.04 . 2 . . . . A 26 ARG HG2 . 31081 1 105 . 1 . 1 26 26 ARG HG3 H 1 1.284 0.04 . 2 . . . . A 26 ARG HG3 . 31081 1 106 . 1 . 1 26 26 ARG HD2 H 1 2.465 0.04 . 2 . . . . A 26 ARG HD2 . 31081 1 107 . 1 . 1 26 26 ARG HD3 H 1 2.171 0.04 . 2 . . . . A 26 ARG HD3 . 31081 1 108 . 1 . 1 26 26 ARG C C 13 174.874 0.40 . 1 . . . . A 26 ARG C . 31081 1 109 . 1 . 1 26 26 ARG CA C 13 55.641 0.40 . 1 . . . . A 26 ARG CA . 31081 1 110 . 1 . 1 26 26 ARG CB C 13 33.176 0.40 . 1 . . . . A 26 ARG CB . 31081 1 111 . 1 . 1 26 26 ARG CG C 13 27.739 0.40 . 1 . . . . A 26 ARG CG . 31081 1 112 . 1 . 1 26 26 ARG CD C 13 43.108 0.40 . 1 . . . . A 26 ARG CD . 31081 1 113 . 1 . 1 26 26 ARG N N 15 122.233 0.40 . 1 . . . . A 26 ARG N . 31081 1 114 . 1 . 1 27 27 PHE H H 1 9.423 0.04 . 1 . . . . A 27 PHE H . 31081 1 115 . 1 . 1 27 27 PHE HA H 1 5.006 0.04 . 1 . . . . A 27 PHE HA . 31081 1 116 . 1 . 1 27 27 PHE HB2 H 1 3.513 0.04 . 2 . . . . A 27 PHE HB2 . 31081 1 117 . 1 . 1 27 27 PHE HB3 H 1 2.861 0.04 . 2 . . . . A 27 PHE HB3 . 31081 1 118 . 1 . 1 27 27 PHE HD1 H 1 7.293 0.04 . 3 . . . . A 27 PHE HD1 . 31081 1 119 . 1 . 1 27 27 PHE HD2 H 1 7.294 0.04 . 3 . . . . A 27 PHE HD2 . 31081 1 120 . 1 . 1 27 27 PHE C C 13 175.839 0.40 . 1 . . . . A 27 PHE C . 31081 1 121 . 1 . 1 27 27 PHE CA C 13 57.000 0.40 . 1 . . . . A 27 PHE CA . 31081 1 122 . 1 . 1 27 27 PHE CB C 13 43.887 0.40 . 1 . . . . A 27 PHE CB . 31081 1 123 . 1 . 1 27 27 PHE CD1 C 13 132.200 0.40 . 3 . . . . A 27 PHE CD1 . 31081 1 124 . 1 . 1 27 27 PHE CD2 C 13 132.200 0.40 . 3 . . . . A 27 PHE CD2 . 31081 1 125 . 1 . 1 27 27 PHE N N 15 121.603 0.40 . 1 . . . . A 27 PHE N . 31081 1 126 . 1 . 1 28 28 THR H H 1 9.075 0.04 . 1 . . . . A 28 THR H . 31081 1 127 . 1 . 1 28 28 THR HA H 1 4.727 0.04 . 1 . . . . A 28 THR HA . 31081 1 128 . 1 . 1 28 28 THR HB H 1 4.897 0.04 . 1 . . . . A 28 THR HB . 31081 1 129 . 1 . 1 28 28 THR HG21 H 1 1.277 0.04 . 1 . . . . A 28 THR HG21 . 31081 1 130 . 1 . 1 28 28 THR HG22 H 1 1.277 0.04 . 1 . . . . A 28 THR HG22 . 31081 1 131 . 1 . 1 28 28 THR HG23 H 1 1.277 0.04 . 1 . . . . A 28 THR HG23 . 31081 1 132 . 1 . 1 28 28 THR C C 13 173.858 0.40 . 1 . . . . A 28 THR C . 31081 1 133 . 1 . 1 28 28 THR CA C 13 62.863 0.40 . 1 . . . . A 28 THR CA . 31081 1 134 . 1 . 1 28 28 THR CB C 13 69.155 0.40 . 1 . . . . A 28 THR CB . 31081 1 135 . 1 . 1 28 28 THR CG2 C 13 22.230 0.40 . 1 . . . . A 28 THR CG2 . 31081 1 136 . 1 . 1 28 28 THR N N 15 112.126 0.40 . 1 . . . . A 28 THR N . 31081 1 137 . 1 . 1 29 29 ASP H H 1 7.621 0.04 . 1 . . . . A 29 ASP H . 31081 1 138 . 1 . 1 29 29 ASP HA H 1 4.892 0.04 . 1 . . . . A 29 ASP HA . 31081 1 139 . 1 . 1 29 29 ASP HB2 H 1 2.719 0.04 . 2 . . . . A 29 ASP HB2 . 31081 1 140 . 1 . 1 29 29 ASP HB3 H 1 2.611 0.04 . 2 . . . . A 29 ASP HB3 . 31081 1 141 . 1 . 1 29 29 ASP CA C 13 53.131 0.40 . 1 . . . . A 29 ASP CA . 31081 1 142 . 1 . 1 29 29 ASP CB C 13 44.617 0.40 . 1 . . . . A 29 ASP CB . 31081 1 143 . 1 . 1 29 29 ASP N N 15 120.636 0.40 . 1 . . . . A 29 ASP N . 31081 1 144 . 1 . 1 30 30 GLU HA H 1 2.193 0.04 . 1 . . . . A 30 GLU HA . 31081 1 145 . 1 . 1 30 30 GLU HB2 H 1 1.185 0.04 . 2 . . . . A 30 GLU HB2 . 31081 1 146 . 1 . 1 30 30 GLU HB3 H 1 1.185 0.04 . 2 . . . . A 30 GLU HB3 . 31081 1 147 . 1 . 1 30 30 GLU HG2 H 1 1.286 0.04 . 2 . . . . A 30 GLU HG2 . 31081 1 148 . 1 . 1 30 30 GLU HG3 H 1 1.286 0.04 . 2 . . . . A 30 GLU HG3 . 31081 1 149 . 1 . 1 30 30 GLU C C 13 177.327 0.40 . 1 . . . . A 30 GLU C . 31081 1 150 . 1 . 1 30 30 GLU CA C 13 59.178 0.40 . 1 . . . . A 30 GLU CA . 31081 1 151 . 1 . 1 30 30 GLU CB C 13 29.443 0.40 . 1 . . . . A 30 GLU CB . 31081 1 152 . 1 . 1 30 30 GLU CG C 13 34.711 0.40 . 1 . . . . A 30 GLU CG . 31081 1 153 . 1 . 1 31 31 GLU H H 1 7.990 0.04 . 1 . . . . A 31 GLU H . 31081 1 154 . 1 . 1 31 31 GLU HA H 1 3.645 0.04 . 1 . . . . A 31 GLU HA . 31081 1 155 . 1 . 1 31 31 GLU HB2 H 1 1.903 0.04 . 2 . . . . A 31 GLU HB2 . 31081 1 156 . 1 . 1 31 31 GLU HB3 H 1 1.843 0.04 . 2 . . . . A 31 GLU HB3 . 31081 1 157 . 1 . 1 31 31 GLU HG2 H 1 2.120 0.04 . 2 . . . . A 31 GLU HG2 . 31081 1 158 . 1 . 1 31 31 GLU HG3 H 1 2.058 0.04 . 2 . . . . A 31 GLU HG3 . 31081 1 159 . 1 . 1 31 31 GLU C C 13 179.596 0.40 . 1 . . . . A 31 GLU C . 31081 1 160 . 1 . 1 31 31 GLU CA C 13 59.247 0.40 . 1 . . . . A 31 GLU CA . 31081 1 161 . 1 . 1 31 31 GLU CB C 13 28.494 0.40 . 1 . . . . A 31 GLU CB . 31081 1 162 . 1 . 1 31 31 GLU CG C 13 36.068 0.40 . 1 . . . . A 31 GLU CG . 31081 1 163 . 1 . 1 31 31 GLU N N 15 117.659 0.40 . 1 . . . . A 31 GLU N . 31081 1 164 . 1 . 1 32 32 GLU H H 1 7.889 0.04 . 1 . . . . A 32 GLU H . 31081 1 165 . 1 . 1 32 32 GLU HA H 1 3.672 0.04 . 1 . . . . A 32 GLU HA . 31081 1 166 . 1 . 1 32 32 GLU HB2 H 1 2.005 0.04 . 2 . . . . A 32 GLU HB2 . 31081 1 167 . 1 . 1 32 32 GLU HB3 H 1 2.005 0.04 . 2 . . . . A 32 GLU HB3 . 31081 1 168 . 1 . 1 32 32 GLU HG2 H 1 2.329 0.04 . 2 . . . . A 32 GLU HG2 . 31081 1 169 . 1 . 1 32 32 GLU HG3 H 1 2.159 0.04 . 2 . . . . A 32 GLU HG3 . 31081 1 170 . 1 . 1 32 32 GLU C C 13 178.602 0.40 . 1 . . . . A 32 GLU C . 31081 1 171 . 1 . 1 32 32 GLU CA C 13 59.050 0.40 . 1 . . . . A 32 GLU CA . 31081 1 172 . 1 . 1 32 32 GLU CB C 13 29.610 0.40 . 1 . . . . A 32 GLU CB . 31081 1 173 . 1 . 1 32 32 GLU CG C 13 36.442 0.40 . 1 . . . . A 32 GLU CG . 31081 1 174 . 1 . 1 32 32 GLU N N 15 120.085 0.40 . 1 . . . . A 32 GLU N . 31081 1 175 . 1 . 1 33 33 ALA H H 1 7.220 0.04 . 1 . . . . A 33 ALA H . 31081 1 176 . 1 . 1 33 33 ALA HA H 1 2.617 0.04 . 1 . . . . A 33 ALA HA . 31081 1 177 . 1 . 1 33 33 ALA HB1 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB1 . 31081 1 178 . 1 . 1 33 33 ALA HB2 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB2 . 31081 1 179 . 1 . 1 33 33 ALA HB3 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB3 . 31081 1 180 . 1 . 1 33 33 ALA C C 13 178.734 0.40 . 1 . . . . A 33 ALA C . 31081 1 181 . 1 . 1 33 33 ALA CA C 13 54.285 0.40 . 1 . . . . A 33 ALA CA . 31081 1 182 . 1 . 1 33 33 ALA CB C 13 18.412 0.40 . 1 . . . . A 33 ALA CB . 31081 1 183 . 1 . 1 33 33 ALA N N 15 121.548 0.40 . 1 . . . . A 33 ALA N . 31081 1 184 . 1 . 1 34 34 ARG H H 1 8.215 0.04 . 1 . . . . A 34 ARG H . 31081 1 185 . 1 . 1 34 34 ARG HA H 1 3.700 0.04 . 1 . . . . A 34 ARG HA . 31081 1 186 . 1 . 1 34 34 ARG HB2 H 1 1.584 0.04 . 2 . . . . A 34 ARG HB2 . 31081 1 187 . 1 . 1 34 34 ARG HB3 H 1 1.396 0.04 . 2 . . . . A 34 ARG HB3 . 31081 1 188 . 1 . 1 34 34 ARG HD2 H 1 2.987 0.04 . 2 . . . . A 34 ARG HD2 . 31081 1 189 . 1 . 1 34 34 ARG HD3 H 1 2.885 0.04 . 2 . . . . A 34 ARG HD3 . 31081 1 190 . 1 . 1 34 34 ARG C C 13 179.545 0.40 . 1 . . . . A 34 ARG C . 31081 1 191 . 1 . 1 34 34 ARG CA C 13 59.872 0.40 . 1 . . . . A 34 ARG CA . 31081 1 192 . 1 . 1 34 34 ARG CB C 13 28.735 0.40 . 1 . . . . A 34 ARG CB . 31081 1 193 . 1 . 1 34 34 ARG CD C 13 42.522 0.40 . 1 . . . . A 34 ARG CD . 31081 1 194 . 1 . 1 34 34 ARG N N 15 115.808 0.40 . 1 . . . . A 34 ARG N . 31081 1 195 . 1 . 1 35 35 ARG H H 1 8.014 0.04 . 1 . . . . A 35 ARG H . 31081 1 196 . 1 . 1 35 35 ARG HA H 1 3.828 0.04 . 1 . . . . A 35 ARG HA . 31081 1 197 . 1 . 1 35 35 ARG HB2 H 1 1.729 0.04 . 2 . . . . A 35 ARG HB2 . 31081 1 198 . 1 . 1 35 35 ARG HB3 H 1 1.665 0.04 . 2 . . . . A 35 ARG HB3 . 31081 1 199 . 1 . 1 35 35 ARG HG2 H 1 1.654 0.04 . 2 . . . . A 35 ARG HG2 . 31081 1 200 . 1 . 1 35 35 ARG HG3 H 1 1.392 0.04 . 2 . . . . A 35 ARG HG3 . 31081 1 201 . 1 . 1 35 35 ARG HD2 H 1 3.090 0.04 . 2 . . . . A 35 ARG HD2 . 31081 1 202 . 1 . 1 35 35 ARG HD3 H 1 3.031 0.04 . 2 . . . . A 35 ARG HD3 . 31081 1 203 . 1 . 1 35 35 ARG C C 13 178.932 0.40 . 1 . . . . A 35 ARG C . 31081 1 204 . 1 . 1 35 35 ARG CA C 13 59.757 0.40 . 1 . . . . A 35 ARG CA . 31081 1 205 . 1 . 1 35 35 ARG CB C 13 30.081 0.40 . 1 . . . . A 35 ARG CB . 31081 1 206 . 1 . 1 35 35 ARG CG C 13 27.679 0.40 . 1 . . . . A 35 ARG CG . 31081 1 207 . 1 . 1 35 35 ARG CD C 13 43.484 0.40 . 1 . . . . A 35 ARG CD . 31081 1 208 . 1 . 1 35 35 ARG N N 15 121.394 0.40 . 1 . . . . A 35 ARG N . 31081 1 209 . 1 . 1 36 36 ALA H H 1 7.656 0.04 . 1 . . . . A 36 ALA H . 31081 1 210 . 1 . 1 36 36 ALA HA H 1 3.870 0.04 . 1 . . . . A 36 ALA HA . 31081 1 211 . 1 . 1 36 36 ALA HB1 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB1 . 31081 1 212 . 1 . 1 36 36 ALA HB2 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB2 . 31081 1 213 . 1 . 1 36 36 ALA HB3 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB3 . 31081 1 214 . 1 . 1 36 36 ALA C C 13 179.759 0.40 . 1 . . . . A 36 ALA C . 31081 1 215 . 1 . 1 36 36 ALA CA C 13 54.885 0.40 . 1 . . . . A 36 ALA CA . 31081 1 216 . 1 . 1 36 36 ALA CB C 13 18.478 0.40 . 1 . . . . A 36 ALA CB . 31081 1 217 . 1 . 1 36 36 ALA N N 15 123.065 0.40 . 1 . . . . A 36 ALA N . 31081 1 218 . 1 . 1 37 37 ALA H H 1 8.453 0.04 . 1 . . . . A 37 ALA H . 31081 1 219 . 1 . 1 37 37 ALA HA H 1 3.993 0.04 . 1 . . . . A 37 ALA HA . 31081 1 220 . 1 . 1 37 37 ALA HB1 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB1 . 31081 1 221 . 1 . 1 37 37 ALA HB2 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB2 . 31081 1 222 . 1 . 1 37 37 ALA HB3 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB3 . 31081 1 223 . 1 . 1 37 37 ALA C C 13 179.167 0.40 . 1 . . . . A 37 ALA C . 31081 1 224 . 1 . 1 37 37 ALA CA C 13 55.575 0.40 . 1 . . . . A 37 ALA CA . 31081 1 225 . 1 . 1 37 37 ALA CB C 13 18.505 0.40 . 1 . . . . A 37 ALA CB . 31081 1 226 . 1 . 1 37 37 ALA N N 15 119.434 0.40 . 1 . . . . A 37 ALA N . 31081 1 227 . 1 . 1 38 38 LYS H H 1 7.692 0.04 . 1 . . . . A 38 LYS H . 31081 1 228 . 1 . 1 38 38 LYS HA H 1 3.962 0.04 . 1 . . . . A 38 LYS HA . 31081 1 229 . 1 . 1 38 38 LYS HB2 H 1 1.840 0.04 . 2 . . . . A 38 LYS HB2 . 31081 1 230 . 1 . 1 38 38 LYS HB3 H 1 1.840 0.04 . 2 . . . . A 38 LYS HB3 . 31081 1 231 . 1 . 1 38 38 LYS HG2 H 1 1.515 0.04 . 2 . . . . A 38 LYS HG2 . 31081 1 232 . 1 . 1 38 38 LYS HG3 H 1 1.351 0.04 . 2 . . . . A 38 LYS HG3 . 31081 1 233 . 1 . 1 38 38 LYS HD2 H 1 1.594 0.04 . 2 . . . . A 38 LYS HD2 . 31081 1 234 . 1 . 1 38 38 LYS HD3 H 1 1.594 0.04 . 2 . . . . A 38 LYS HD3 . 31081 1 235 . 1 . 1 38 38 LYS HE2 H 1 2.864 0.04 . 2 . . . . A 38 LYS HE2 . 31081 1 236 . 1 . 1 38 38 LYS HE3 H 1 2.864 0.04 . 2 . . . . A 38 LYS HE3 . 31081 1 237 . 1 . 1 38 38 LYS C C 13 179.098 0.40 . 1 . . . . A 38 LYS C . 31081 1 238 . 1 . 1 38 38 LYS CA C 13 59.359 0.40 . 1 . . . . A 38 LYS CA . 31081 1 239 . 1 . 1 38 38 LYS CB C 13 32.334 0.40 . 1 . . . . A 38 LYS CB . 31081 1 240 . 1 . 1 38 38 LYS CG C 13 25.072 0.40 . 1 . . . . A 38 LYS CG . 31081 1 241 . 1 . 1 38 38 LYS CD C 13 29.313 0.40 . 1 . . . . A 38 LYS CD . 31081 1 242 . 1 . 1 38 38 LYS CE C 13 41.990 0.40 . 1 . . . . A 38 LYS CE . 31081 1 243 . 1 . 1 38 38 LYS N N 15 117.542 0.40 . 1 . . . . A 38 LYS N . 31081 1 244 . 1 . 1 39 39 GLU H H 1 7.514 0.04 . 1 . . . . A 39 GLU H . 31081 1 245 . 1 . 1 39 39 GLU HA H 1 4.051 0.04 . 1 . . . . A 39 GLU HA . 31081 1 246 . 1 . 1 39 39 GLU HB2 H 1 1.855 0.04 . 2 . . . . A 39 GLU HB2 . 31081 1 247 . 1 . 1 39 39 GLU HB3 H 1 1.687 0.04 . 2 . . . . A 39 GLU HB3 . 31081 1 248 . 1 . 1 39 39 GLU HG2 H 1 2.023 0.04 . 2 . . . . A 39 GLU HG2 . 31081 1 249 . 1 . 1 39 39 GLU HG3 H 1 1.878 0.04 . 2 . . . . A 39 GLU HG3 . 31081 1 250 . 1 . 1 39 39 GLU C C 13 179.124 0.40 . 1 . . . . A 39 GLU C . 31081 1 251 . 1 . 1 39 39 GLU CA C 13 58.701 0.40 . 1 . . . . A 39 GLU CA . 31081 1 252 . 1 . 1 39 39 GLU CB C 13 28.441 0.40 . 1 . . . . A 39 GLU CB . 31081 1 253 . 1 . 1 39 39 GLU CG C 13 35.105 0.40 . 1 . . . . A 39 GLU CG . 31081 1 254 . 1 . 1 39 39 GLU N N 15 120.448 0.40 . 1 . . . . A 39 GLU N . 31081 1 255 . 1 . 1 40 40 TRP H H 1 8.203 0.04 . 1 . . . . A 40 TRP H . 31081 1 256 . 1 . 1 40 40 TRP HA H 1 4.332 0.04 . 1 . . . . A 40 TRP HA . 31081 1 257 . 1 . 1 40 40 TRP HB2 H 1 3.049 0.04 . 2 . . . . A 40 TRP HB2 . 31081 1 258 . 1 . 1 40 40 TRP HB3 H 1 2.923 0.04 . 2 . . . . A 40 TRP HB3 . 31081 1 259 . 1 . 1 40 40 TRP C C 13 179.073 0.40 . 1 . . . . A 40 TRP C . 31081 1 260 . 1 . 1 40 40 TRP CA C 13 61.256 0.40 . 1 . . . . A 40 TRP CA . 31081 1 261 . 1 . 1 40 40 TRP CB C 13 29.418 0.40 . 1 . . . . A 40 TRP CB . 31081 1 262 . 1 . 1 40 40 TRP N N 15 119.228 0.40 . 1 . . . . A 40 TRP N . 31081 1 263 . 1 . 1 41 41 ALA H H 1 8.526 0.04 . 1 . . . . A 41 ALA H . 31081 1 264 . 1 . 1 41 41 ALA HA H 1 4.689 0.04 . 1 . . . . A 41 ALA HA . 31081 1 265 . 1 . 1 41 41 ALA HB1 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB1 . 31081 1 266 . 1 . 1 41 41 ALA HB2 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB2 . 31081 1 267 . 1 . 1 41 41 ALA HB3 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB3 . 31081 1 268 . 1 . 1 41 41 ALA C C 13 182.603 0.40 . 1 . . . . A 41 ALA C . 31081 1 269 . 1 . 1 41 41 ALA CA C 13 54.809 0.40 . 1 . . . . A 41 ALA CA . 31081 1 270 . 1 . 1 41 41 ALA CB C 13 17.833 0.40 . 1 . . . . A 41 ALA CB . 31081 1 271 . 1 . 1 41 41 ALA N N 15 122.869 0.40 . 1 . . . . A 41 ALA N . 31081 1 272 . 1 . 1 42 42 ARG H H 1 8.183 0.04 . 1 . . . . A 42 ARG H . 31081 1 273 . 1 . 1 42 42 ARG HA H 1 4.068 0.04 . 1 . . . . A 42 ARG HA . 31081 1 274 . 1 . 1 42 42 ARG HB2 H 1 1.991 0.04 . 2 . . . . A 42 ARG HB2 . 31081 1 275 . 1 . 1 42 42 ARG HB3 H 1 1.991 0.04 . 2 . . . . A 42 ARG HB3 . 31081 1 276 . 1 . 1 42 42 ARG HG2 H 1 1.709 0.04 . 2 . . . . A 42 ARG HG2 . 31081 1 277 . 1 . 1 42 42 ARG HG3 H 1 1.657 0.04 . 2 . . . . A 42 ARG HG3 . 31081 1 278 . 1 . 1 42 42 ARG HD2 H 1 3.072 0.04 . 2 . . . . A 42 ARG HD2 . 31081 1 279 . 1 . 1 42 42 ARG HD3 H 1 3.018 0.04 . 2 . . . . A 42 ARG HD3 . 31081 1 280 . 1 . 1 42 42 ARG C C 13 178.317 0.40 . 1 . . . . A 42 ARG C . 31081 1 281 . 1 . 1 42 42 ARG CA C 13 59.008 0.40 . 1 . . . . A 42 ARG CA . 31081 1 282 . 1 . 1 42 42 ARG CB C 13 29.539 0.40 . 1 . . . . A 42 ARG CB . 31081 1 283 . 1 . 1 42 42 ARG CG C 13 27.279 0.40 . 1 . . . . A 42 ARG CG . 31081 1 284 . 1 . 1 42 42 ARG CD C 13 43.297 0.40 . 1 . . . . A 42 ARG CD . 31081 1 285 . 1 . 1 42 42 ARG N N 15 121.591 0.40 . 1 . . . . A 42 ARG N . 31081 1 286 . 1 . 1 43 43 ARG H H 1 7.496 0.04 . 1 . . . . A 43 ARG H . 31081 1 287 . 1 . 1 43 43 ARG HA H 1 4.259 0.04 . 1 . . . . A 43 ARG HA . 31081 1 288 . 1 . 1 43 43 ARG HB2 H 1 2.090 0.04 . 2 . . . . A 43 ARG HB2 . 31081 1 289 . 1 . 1 43 43 ARG HB3 H 1 2.394 0.04 . 2 . . . . A 43 ARG HB3 . 31081 1 290 . 1 . 1 43 43 ARG HG2 H 1 1.844 0.04 . 2 . . . . A 43 ARG HG2 . 31081 1 291 . 1 . 1 43 43 ARG HG3 H 1 1.640 0.04 . 2 . . . . A 43 ARG HG3 . 31081 1 292 . 1 . 1 43 43 ARG HD2 H 1 2.953 0.04 . 2 . . . . A 43 ARG HD2 . 31081 1 293 . 1 . 1 43 43 ARG HD3 H 1 2.767 0.04 . 2 . . . . A 43 ARG HD3 . 31081 1 294 . 1 . 1 43 43 ARG C C 13 175.826 0.40 . 1 . . . . A 43 ARG C . 31081 1 295 . 1 . 1 43 43 ARG CA C 13 56.649 0.40 . 1 . . . . A 43 ARG CA . 31081 1 296 . 1 . 1 43 43 ARG CB C 13 30.873 0.40 . 1 . . . . A 43 ARG CB . 31081 1 297 . 1 . 1 43 43 ARG CG C 13 27.670 0.40 . 1 . . . . A 43 ARG CG . 31081 1 298 . 1 . 1 43 43 ARG CD C 13 43.950 0.40 . 1 . . . . A 43 ARG CD . 31081 1 299 . 1 . 1 43 43 ARG N N 15 116.577 0.40 . 1 . . . . A 43 ARG N . 31081 1 300 . 1 . 1 44 44 GLY H H 1 7.895 0.04 . 1 . . . . A 44 GLY H . 31081 1 301 . 1 . 1 44 44 GLY HA2 H 1 4.151 0.04 . 2 . . . . A 44 GLY HA2 . 31081 1 302 . 1 . 1 44 44 GLY HA3 H 1 3.674 0.04 . 2 . . . . A 44 GLY HA3 . 31081 1 303 . 1 . 1 44 44 GLY C C 13 174.337 0.40 . 1 . . . . A 44 GLY C . 31081 1 304 . 1 . 1 44 44 GLY CA C 13 45.230 0.40 . 1 . . . . A 44 GLY CA . 31081 1 305 . 1 . 1 44 44 GLY N N 15 105.927 0.40 . 1 . . . . A 44 GLY N . 31081 1 306 . 1 . 1 45 45 TYR H H 1 7.607 0.04 . 1 . . . . A 45 TYR H . 31081 1 307 . 1 . 1 45 45 TYR HA H 1 4.521 0.04 . 1 . . . . A 45 TYR HA . 31081 1 308 . 1 . 1 45 45 TYR HB2 H 1 3.077 0.04 . 2 . . . . A 45 TYR HB2 . 31081 1 309 . 1 . 1 45 45 TYR HB3 H 1 2.524 0.04 . 2 . . . . A 45 TYR HB3 . 31081 1 310 . 1 . 1 45 45 TYR HD1 H 1 7.346 0.04 . 3 . . . . A 45 TYR HD1 . 31081 1 311 . 1 . 1 45 45 TYR HD2 H 1 7.346 0.04 . 3 . . . . A 45 TYR HD2 . 31081 1 312 . 1 . 1 45 45 TYR HE1 H 1 6.770 0.04 . 3 . . . . A 45 TYR HE1 . 31081 1 313 . 1 . 1 45 45 TYR HE2 H 1 6.770 0.04 . 3 . . . . A 45 TYR HE2 . 31081 1 314 . 1 . 1 45 45 TYR C C 13 175.500 0.40 . 1 . . . . A 45 TYR C . 31081 1 315 . 1 . 1 45 45 TYR CA C 13 58.384 0.40 . 1 . . . . A 45 TYR CA . 31081 1 316 . 1 . 1 45 45 TYR CB C 13 39.416 0.40 . 1 . . . . A 45 TYR CB . 31081 1 317 . 1 . 1 45 45 TYR CD1 C 13 133.800 0.40 . 3 . . . . A 45 TYR CD1 . 31081 1 318 . 1 . 1 45 45 TYR CD2 C 13 133.800 0.40 . 3 . . . . A 45 TYR CD2 . 31081 1 319 . 1 . 1 45 45 TYR CE1 C 13 117.900 0.40 . 3 . . . . A 45 TYR CE1 . 31081 1 320 . 1 . 1 45 45 TYR CE2 C 13 117.900 0.40 . 3 . . . . A 45 TYR CE2 . 31081 1 321 . 1 . 1 45 45 TYR N N 15 119.205 0.40 . 1 . . . . A 45 TYR N . 31081 1 322 . 1 . 1 46 46 GLN H H 1 9.085 0.04 . 1 . . . . A 46 GLN H . 31081 1 323 . 1 . 1 46 46 GLN HA H 1 4.498 0.04 . 1 . . . . A 46 GLN HA . 31081 1 324 . 1 . 1 46 46 GLN HB2 H 1 2.024 0.04 . 2 . . . . A 46 GLN HB2 . 31081 1 325 . 1 . 1 46 46 GLN HB3 H 1 1.995 0.04 . 2 . . . . A 46 GLN HB3 . 31081 1 326 . 1 . 1 46 46 GLN HG2 H 1 2.391 0.04 . 2 . . . . A 46 GLN HG2 . 31081 1 327 . 1 . 1 46 46 GLN HG3 H 1 2.264 0.04 . 2 . . . . A 46 GLN HG3 . 31081 1 328 . 1 . 1 46 46 GLN C C 13 175.807 0.40 . 1 . . . . A 46 GLN C . 31081 1 329 . 1 . 1 46 46 GLN CA C 13 55.381 0.40 . 1 . . . . A 46 GLN CA . 31081 1 330 . 1 . 1 46 46 GLN CB C 13 29.631 0.40 . 1 . . . . A 46 GLN CB . 31081 1 331 . 1 . 1 46 46 GLN CG C 13 33.963 0.40 . 1 . . . . A 46 GLN CG . 31081 1 332 . 1 . 1 46 46 GLN N N 15 121.388 0.40 . 1 . . . . A 46 GLN N . 31081 1 333 . 1 . 1 47 47 VAL H H 1 8.311 0.04 . 1 . . . . A 47 VAL H . 31081 1 334 . 1 . 1 47 47 VAL HA H 1 5.533 0.04 . 1 . . . . A 47 VAL HA . 31081 1 335 . 1 . 1 47 47 VAL HB H 1 1.882 0.04 . 1 . . . . A 47 VAL HB . 31081 1 336 . 1 . 1 47 47 VAL HG11 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG11 . 31081 1 337 . 1 . 1 47 47 VAL HG12 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG12 . 31081 1 338 . 1 . 1 47 47 VAL HG13 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG13 . 31081 1 339 . 1 . 1 47 47 VAL HG21 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG21 . 31081 1 340 . 1 . 1 47 47 VAL HG22 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG22 . 31081 1 341 . 1 . 1 47 47 VAL HG23 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG23 . 31081 1 342 . 1 . 1 47 47 VAL C C 13 175.336 0.40 . 1 . . . . A 47 VAL C . 31081 1 343 . 1 . 1 47 47 VAL CA C 13 59.518 0.40 . 1 . . . . A 47 VAL CA . 31081 1 344 . 1 . 1 47 47 VAL CB C 13 35.818 0.40 . 1 . . . . A 47 VAL CB . 31081 1 345 . 1 . 1 47 47 VAL CG1 C 13 22.372 0.40 . 2 . . . . A 47 VAL CG1 . 31081 1 346 . 1 . 1 47 47 VAL CG2 C 13 20.272 0.40 . 2 . . . . A 47 VAL CG2 . 31081 1 347 . 1 . 1 47 47 VAL N N 15 119.728 0.40 . 1 . . . . A 47 VAL N . 31081 1 348 . 1 . 1 48 48 HIS H H 1 8.559 0.04 . 1 . . . . A 48 HIS H . 31081 1 349 . 1 . 1 48 48 HIS HA H 1 4.930 0.04 . 1 . . . . A 48 HIS HA . 31081 1 350 . 1 . 1 48 48 HIS HB2 H 1 3.055 0.04 . 2 . . . . A 48 HIS HB2 . 31081 1 351 . 1 . 1 48 48 HIS HB3 H 1 2.999 0.04 . 2 . . . . A 48 HIS HB3 . 31081 1 352 . 1 . 1 48 48 HIS C C 13 173.765 0.40 . 1 . . . . A 48 HIS C . 31081 1 353 . 1 . 1 48 48 HIS CA C 13 55.550 0.40 . 1 . . . . A 48 HIS CA . 31081 1 354 . 1 . 1 48 48 HIS CB C 13 33.460 0.40 . 1 . . . . A 48 HIS CB . 31081 1 355 . 1 . 1 48 48 HIS N N 15 122.886 0.40 . 1 . . . . A 48 HIS N . 31081 1 356 . 1 . 1 49 49 VAL H H 1 8.667 0.04 . 1 . . . . A 49 VAL H . 31081 1 357 . 1 . 1 49 49 VAL HA H 1 5.151 0.04 . 1 . . . . A 49 VAL HA . 31081 1 358 . 1 . 1 49 49 VAL HB H 1 1.990 0.04 . 1 . . . . A 49 VAL HB . 31081 1 359 . 1 . 1 49 49 VAL HG11 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG11 . 31081 1 360 . 1 . 1 49 49 VAL HG12 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG12 . 31081 1 361 . 1 . 1 49 49 VAL HG13 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG13 . 31081 1 362 . 1 . 1 49 49 VAL HG21 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG21 . 31081 1 363 . 1 . 1 49 49 VAL HG22 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG22 . 31081 1 364 . 1 . 1 49 49 VAL HG23 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG23 . 31081 1 365 . 1 . 1 49 49 VAL C C 13 175.397 0.40 . 1 . . . . A 49 VAL C . 31081 1 366 . 1 . 1 49 49 VAL CA C 13 61.530 0.40 . 1 . . . . A 49 VAL CA . 31081 1 367 . 1 . 1 49 49 VAL CB C 13 33.422 0.40 . 1 . . . . A 49 VAL CB . 31081 1 368 . 1 . 1 49 49 VAL CG1 C 13 22.250 0.40 . 2 . . . . A 49 VAL CG1 . 31081 1 369 . 1 . 1 49 49 VAL CG2 C 13 21.300 0.40 . 2 . . . . A 49 VAL CG2 . 31081 1 370 . 1 . 1 49 49 VAL N N 15 127.496 0.40 . 1 . . . . A 49 VAL N . 31081 1 371 . 1 . 1 50 50 THR H H 1 9.189 0.04 . 1 . . . . A 50 THR H . 31081 1 372 . 1 . 1 50 50 THR HA H 1 4.590 0.04 . 1 . . . . A 50 THR HA . 31081 1 373 . 1 . 1 50 50 THR HB H 1 3.920 0.04 . 1 . . . . A 50 THR HB . 31081 1 374 . 1 . 1 50 50 THR HG21 H 1 1.015 0.04 . 1 . . . . A 50 THR HG21 . 31081 1 375 . 1 . 1 50 50 THR HG22 H 1 1.015 0.04 . 1 . . . . A 50 THR HG22 . 31081 1 376 . 1 . 1 50 50 THR HG23 H 1 1.015 0.04 . 1 . . . . A 50 THR HG23 . 31081 1 377 . 1 . 1 50 50 THR CA C 13 60.040 0.40 . 1 . . . . A 50 THR CA . 31081 1 378 . 1 . 1 50 50 THR CB C 13 71.935 0.40 . 1 . . . . A 50 THR CB . 31081 1 379 . 1 . 1 50 50 THR CG2 C 13 21.484 0.40 . 1 . . . . A 50 THR CG2 . 31081 1 380 . 1 . 1 50 50 THR N N 15 120.632 0.40 . 1 . . . . A 50 THR N . 31081 1 381 . 1 . 1 51 51 GLN HA H 1 3.805 0.04 . 1 . . . . A 51 GLN HA . 31081 1 382 . 1 . 1 51 51 GLN HB2 H 1 1.281 0.04 . 2 . . . . A 51 GLN HB2 . 31081 1 383 . 1 . 1 51 51 GLN HB3 H 1 1.281 0.04 . 2 . . . . A 51 GLN HB3 . 31081 1 384 . 1 . 1 51 51 GLN HG2 H 1 1.486 0.04 . 2 . . . . A 51 GLN HG2 . 31081 1 385 . 1 . 1 51 51 GLN HG3 H 1 1.486 0.04 . 2 . . . . A 51 GLN HG3 . 31081 1 386 . 1 . 1 51 51 GLN C C 13 174.946 0.40 . 1 . . . . A 51 GLN C . 31081 1 387 . 1 . 1 51 51 GLN CA C 13 55.148 0.40 . 1 . . . . A 51 GLN CA . 31081 1 388 . 1 . 1 51 51 GLN CB C 13 28.287 0.40 . 1 . . . . A 51 GLN CB . 31081 1 389 . 1 . 1 51 51 GLN CG C 13 33.209 0.40 . 1 . . . . A 51 GLN CG . 31081 1 390 . 1 . 1 52 52 ASN H H 1 8.388 0.04 . 1 . . . . A 52 ASN H . 31081 1 391 . 1 . 1 52 52 ASN HA H 1 4.614 0.04 . 1 . . . . A 52 ASN HA . 31081 1 392 . 1 . 1 52 52 ASN HB2 H 1 2.469 0.04 . 2 . . . . A 52 ASN HB2 . 31081 1 393 . 1 . 1 52 52 ASN HB3 H 1 2.202 0.04 . 2 . . . . A 52 ASN HB3 . 31081 1 394 . 1 . 1 52 52 ASN C C 13 174.843 0.40 . 1 . . . . A 52 ASN C . 31081 1 395 . 1 . 1 52 52 ASN CA C 13 51.182 0.40 . 1 . . . . A 52 ASN CA . 31081 1 396 . 1 . 1 52 52 ASN CB C 13 38.830 0.40 . 1 . . . . A 52 ASN CB . 31081 1 397 . 1 . 1 52 52 ASN N N 15 125.436 0.40 . 1 . . . . A 52 ASN N . 31081 1 398 . 1 . 1 53 53 GLY H H 1 8.622 0.04 . 1 . . . . A 53 GLY H . 31081 1 399 . 1 . 1 53 53 GLY HA2 H 1 3.962 0.04 . 2 . . . . A 53 GLY HA2 . 31081 1 400 . 1 . 1 53 53 GLY HA3 H 1 3.438 0.04 . 2 . . . . A 53 GLY HA3 . 31081 1 401 . 1 . 1 53 53 GLY C C 13 175.043 0.40 . 1 . . . . A 53 GLY C . 31081 1 402 . 1 . 1 53 53 GLY CA C 13 46.862 0.40 . 1 . . . . A 53 GLY CA . 31081 1 403 . 1 . 1 53 53 GLY N N 15 113.484 0.40 . 1 . . . . A 53 GLY N . 31081 1 404 . 1 . 1 54 54 THR H H 1 8.299 0.04 . 1 . . . . A 54 THR H . 31081 1 405 . 1 . 1 54 54 THR HA H 1 4.060 0.04 . 1 . . . . A 54 THR HA . 31081 1 406 . 1 . 1 54 54 THR HB H 1 4.170 0.04 . 1 . . . . A 54 THR HB . 31081 1 407 . 1 . 1 54 54 THR HG21 H 1 0.993 0.04 . 1 . . . . A 54 THR HG21 . 31081 1 408 . 1 . 1 54 54 THR HG22 H 1 0.993 0.04 . 1 . . . . A 54 THR HG22 . 31081 1 409 . 1 . 1 54 54 THR HG23 H 1 0.993 0.04 . 1 . . . . A 54 THR HG23 . 31081 1 410 . 1 . 1 54 54 THR CA C 13 62.272 0.40 . 1 . . . . A 54 THR CA . 31081 1 411 . 1 . 1 54 54 THR CB C 13 69.005 0.40 . 1 . . . . A 54 THR CB . 31081 1 412 . 1 . 1 54 54 THR CG2 C 13 21.396 0.40 . 1 . . . . A 54 THR CG2 . 31081 1 413 . 1 . 1 54 54 THR N N 15 118.205 0.40 . 1 . . . . A 54 THR N . 31081 1 414 . 1 . 1 55 55 TYR HA H 1 5.009 0.04 . 1 . . . . A 55 TYR HA . 31081 1 415 . 1 . 1 55 55 TYR HB2 H 1 2.949 0.04 . 2 . . . . A 55 TYR HB2 . 31081 1 416 . 1 . 1 55 55 TYR HB3 H 1 2.949 0.04 . 2 . . . . A 55 TYR HB3 . 31081 1 417 . 1 . 1 55 55 TYR HD1 H 1 6.977 0.04 . 3 . . . . A 55 TYR HD1 . 31081 1 418 . 1 . 1 55 55 TYR HD2 H 1 6.977 0.04 . 3 . . . . A 55 TYR HD2 . 31081 1 419 . 1 . 1 55 55 TYR HE1 H 1 6.662 0.04 . 3 . . . . A 55 TYR HE1 . 31081 1 420 . 1 . 1 55 55 TYR HE2 H 1 6.662 0.04 . 3 . . . . A 55 TYR HE2 . 31081 1 421 . 1 . 1 55 55 TYR C C 13 174.258 0.40 . 1 . . . . A 55 TYR C . 31081 1 422 . 1 . 1 55 55 TYR CA C 13 56.950 0.40 . 1 . . . . A 55 TYR CA . 31081 1 423 . 1 . 1 55 55 TYR CB C 13 40.710 0.40 . 1 . . . . A 55 TYR CB . 31081 1 424 . 1 . 1 55 55 TYR CD1 C 13 133.280 0.40 . 3 . . . . A 55 TYR CD1 . 31081 1 425 . 1 . 1 55 55 TYR CD2 C 13 133.280 0.40 . 3 . . . . A 55 TYR CD2 . 31081 1 426 . 1 . 1 55 55 TYR CE1 C 13 118.137 0.40 . 3 . . . . A 55 TYR CE1 . 31081 1 427 . 1 . 1 55 55 TYR CE2 C 13 118.137 0.40 . 3 . . . . A 55 TYR CE2 . 31081 1 428 . 1 . 1 56 56 TRP H H 1 9.148 0.04 . 1 . . . . A 56 TRP H . 31081 1 429 . 1 . 1 56 56 TRP HA H 1 4.499 0.04 . 1 . . . . A 56 TRP HA . 31081 1 430 . 1 . 1 56 56 TRP HB2 H 1 2.950 0.04 . 2 . . . . A 56 TRP HB2 . 31081 1 431 . 1 . 1 56 56 TRP HB3 H 1 2.890 0.04 . 2 . . . . A 56 TRP HB3 . 31081 1 432 . 1 . 1 56 56 TRP C C 13 175.172 0.40 . 1 . . . . A 56 TRP C . 31081 1 433 . 1 . 1 56 56 TRP CA C 13 57.175 0.40 . 1 . . . . A 56 TRP CA . 31081 1 434 . 1 . 1 56 56 TRP CB C 13 30.628 0.40 . 1 . . . . A 56 TRP CB . 31081 1 435 . 1 . 1 56 56 TRP N N 15 121.583 0.40 . 1 . . . . A 56 TRP N . 31081 1 436 . 1 . 1 57 57 GLU H H 1 9.535 0.04 . 1 . . . . A 57 GLU H . 31081 1 437 . 1 . 1 57 57 GLU HA H 1 5.578 0.04 . 1 . . . . A 57 GLU HA . 31081 1 438 . 1 . 1 57 57 GLU HB2 H 1 1.909 0.04 . 2 . . . . A 57 GLU HB2 . 31081 1 439 . 1 . 1 57 57 GLU HB3 H 1 1.839 0.04 . 2 . . . . A 57 GLU HB3 . 31081 1 440 . 1 . 1 57 57 GLU HG2 H 1 2.147 0.04 . 2 . . . . A 57 GLU HG2 . 31081 1 441 . 1 . 1 57 57 GLU HG3 H 1 2.000 0.04 . 2 . . . . A 57 GLU HG3 . 31081 1 442 . 1 . 1 57 57 GLU C C 13 175.172 0.40 . 1 . . . . A 57 GLU C . 31081 1 443 . 1 . 1 57 57 GLU CA C 13 54.593 0.40 . 1 . . . . A 57 GLU CA . 31081 1 444 . 1 . 1 57 57 GLU CB C 13 33.106 0.40 . 1 . . . . A 57 GLU CB . 31081 1 445 . 1 . 1 57 57 GLU CG C 13 37.954 0.40 . 1 . . . . A 57 GLU CG . 31081 1 446 . 1 . 1 57 57 GLU N N 15 122.966 0.40 . 1 . . . . A 57 GLU N . 31081 1 447 . 1 . 1 58 58 VAL H H 1 9.349 0.04 . 1 . . . . A 58 VAL H . 31081 1 448 . 1 . 1 58 58 VAL HA H 1 4.828 0.04 . 1 . . . . A 58 VAL HA . 31081 1 449 . 1 . 1 58 58 VAL HB H 1 2.308 0.04 . 1 . . . . A 58 VAL HB . 31081 1 450 . 1 . 1 58 58 VAL HG11 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG11 . 31081 1 451 . 1 . 1 58 58 VAL HG12 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG12 . 31081 1 452 . 1 . 1 58 58 VAL HG13 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG13 . 31081 1 453 . 1 . 1 58 58 VAL HG21 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG21 . 31081 1 454 . 1 . 1 58 58 VAL HG22 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG22 . 31081 1 455 . 1 . 1 58 58 VAL HG23 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG23 . 31081 1 456 . 1 . 1 58 58 VAL C C 13 174.664 0.40 . 1 . . . . A 58 VAL C . 31081 1 457 . 1 . 1 58 58 VAL CA C 13 61.191 0.40 . 1 . . . . A 58 VAL CA . 31081 1 458 . 1 . 1 58 58 VAL CB C 13 34.653 0.40 . 1 . . . . A 58 VAL CB . 31081 1 459 . 1 . 1 58 58 VAL CG1 C 13 20.961 0.40 . 2 . . . . A 58 VAL CG1 . 31081 1 460 . 1 . 1 58 58 VAL CG2 C 13 23.024 0.40 . 2 . . . . A 58 VAL CG2 . 31081 1 461 . 1 . 1 58 58 VAL N N 15 124.032 0.40 . 1 . . . . A 58 VAL N . 31081 1 462 . 1 . 1 59 59 GLU H H 1 9.087 0.04 . 1 . . . . A 59 GLU H . 31081 1 463 . 1 . 1 59 59 GLU HA H 1 4.934 0.04 . 1 . . . . A 59 GLU HA . 31081 1 464 . 1 . 1 59 59 GLU HB2 H 1 1.985 0.04 . 2 . . . . A 59 GLU HB2 . 31081 1 465 . 1 . 1 59 59 GLU HB3 H 1 1.901 0.04 . 2 . . . . A 59 GLU HB3 . 31081 1 466 . 1 . 1 59 59 GLU HG2 H 1 2.090 0.04 . 2 . . . . A 59 GLU HG2 . 31081 1 467 . 1 . 1 59 59 GLU HG3 H 1 1.897 0.04 . 2 . . . . A 59 GLU HG3 . 31081 1 468 . 1 . 1 59 59 GLU C C 13 174.972 0.40 . 1 . . . . A 59 GLU C . 31081 1 469 . 1 . 1 59 59 GLU CA C 13 54.891 0.40 . 1 . . . . A 59 GLU CA . 31081 1 470 . 1 . 1 59 59 GLU CB C 13 32.228 0.40 . 1 . . . . A 59 GLU CB . 31081 1 471 . 1 . 1 59 59 GLU CG C 13 37.123 0.40 . 1 . . . . A 59 GLU CG . 31081 1 472 . 1 . 1 59 59 GLU N N 15 128.543 0.40 . 1 . . . . A 59 GLU N . 31081 1 473 . 1 . 1 60 60 VAL H H 1 8.710 0.04 . 1 . . . . A 60 VAL H . 31081 1 474 . 1 . 1 60 60 VAL HA H 1 4.570 0.04 . 1 . . . . A 60 VAL HA . 31081 1 475 . 1 . 1 60 60 VAL HB H 1 1.382 0.04 . 1 . . . . A 60 VAL HB . 31081 1 476 . 1 . 1 60 60 VAL HG11 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG11 . 31081 1 477 . 1 . 1 60 60 VAL HG12 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG12 . 31081 1 478 . 1 . 1 60 60 VAL HG13 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG13 . 31081 1 479 . 1 . 1 60 60 VAL HG21 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG21 . 31081 1 480 . 1 . 1 60 60 VAL HG22 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG22 . 31081 1 481 . 1 . 1 60 60 VAL HG23 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG23 . 31081 1 482 . 1 . 1 60 60 VAL C C 13 174.699 0.40 . 1 . . . . A 60 VAL C . 31081 1 483 . 1 . 1 60 60 VAL CA C 13 61.541 0.40 . 1 . . . . A 60 VAL CA . 31081 1 484 . 1 . 1 60 60 VAL CB C 13 33.557 0.40 . 1 . . . . A 60 VAL CB . 31081 1 485 . 1 . 1 60 60 VAL CG1 C 13 21.624 0.40 . 2 . . . . A 60 VAL CG1 . 31081 1 486 . 1 . 1 60 60 VAL CG2 C 13 20.604 0.40 . 2 . . . . A 60 VAL CG2 . 31081 1 487 . 1 . 1 60 60 VAL N N 15 126.471 0.40 . 1 . . . . A 60 VAL N . 31081 1 488 . 1 . 1 61 61 ARG H H 1 8.885 0.04 . 1 . . . . A 61 ARG H . 31081 1 489 . 1 . 1 61 61 ARG HA H 1 4.474 0.04 . 1 . . . . A 61 ARG HA . 31081 1 490 . 1 . 1 61 61 ARG HB2 H 1 1.809 0.04 . 2 . . . . A 61 ARG HB2 . 31081 1 491 . 1 . 1 61 61 ARG HB3 H 1 1.693 0.04 . 2 . . . . A 61 ARG HB3 . 31081 1 492 . 1 . 1 61 61 ARG HG2 H 1 1.576 0.04 . 2 . . . . A 61 ARG HG2 . 31081 1 493 . 1 . 1 61 61 ARG HG3 H 1 1.468 0.04 . 2 . . . . A 61 ARG HG3 . 31081 1 494 . 1 . 1 61 61 ARG HD2 H 1 3.043 0.04 . 2 . . . . A 61 ARG HD2 . 31081 1 495 . 1 . 1 61 61 ARG HD3 H 1 3.006 0.04 . 2 . . . . A 61 ARG HD3 . 31081 1 496 . 1 . 1 61 61 ARG CA C 13 57.457 0.40 . 1 . . . . A 61 ARG CA . 31081 1 497 . 1 . 1 61 61 ARG CB C 13 33.567 0.40 . 1 . . . . A 61 ARG CB . 31081 1 498 . 1 . 1 61 61 ARG CG C 13 27.559 0.40 . 1 . . . . A 61 ARG CG . 31081 1 499 . 1 . 1 61 61 ARG CD C 13 43.765 0.40 . 1 . . . . A 61 ARG CD . 31081 1 500 . 1 . 1 61 61 ARG N N 15 131.579 0.40 . 1 . . . . A 61 ARG N . 31081 1 stop_ save_