################################### # 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 30149 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 30149 1 6 '3D 1H-13C NOESY aromatic' . . . 30149 1 7 '3D 1H-15N NOESY' . . . 30149 1 10 '3D 1H-13C NOESY aliphatic' . . . 30149 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 . . 30149 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 HA H 1 4.103 0.001 . 1 . . . . A 1 MET HA . 30149 1 2 . 1 1 1 1 MET HB2 H 1 2.132 0.001 . 2 . . . . A 1 MET HB2 . 30149 1 3 . 1 1 1 1 MET HB3 H 1 2.132 0.001 . 2 . . . . A 1 MET HB3 . 30149 1 4 . 1 1 1 1 MET HG2 H 1 2.373 0.000 . 2 . . . . A 1 MET HG2 . 30149 1 5 . 1 1 1 1 MET HG3 H 1 2.096 0.001 . 2 . . . . A 1 MET HG3 . 30149 1 6 . 1 1 1 1 MET HE1 H 1 2.031 0.000 . 1 . . . . A 1 MET HE1 . 30149 1 7 . 1 1 1 1 MET HE2 H 1 2.031 0.000 . 1 . . . . A 1 MET HE2 . 30149 1 8 . 1 1 1 1 MET HE3 H 1 2.031 0.000 . 1 . . . . A 1 MET HE3 . 30149 1 9 . 1 1 1 1 MET C C 13 170.145 0.000 . 1 . . . . A 1 MET C . 30149 1 10 . 1 1 1 1 MET CA C 13 54.842 0.004 . 1 . . . . A 1 MET CA . 30149 1 11 . 1 1 1 1 MET CB C 13 33.287 0.000 . 1 . . . . A 1 MET CB . 30149 1 12 . 1 1 1 1 MET CG C 13 30.085 0.000 . 1 . . . . A 1 MET CG . 30149 1 13 . 1 1 1 1 MET CE C 13 17.975 0.000 . 1 . . . . A 1 MET CE . 30149 1 14 . 1 1 2 2 CYS H H 1 9.194 0.000 . 1 . . . . A 2 CYS H . 30149 1 15 . 1 1 2 2 CYS HA H 1 4.401 0.000 . 1 . . . . A 2 CYS HA . 30149 1 16 . 1 1 2 2 CYS HB2 H 1 3.161 0.000 . 1 . . . . A 2 CYS HB2 . 30149 1 17 . 1 1 2 2 CYS HB3 H 1 2.820 0.000 . 1 . . . . A 2 CYS HB3 . 30149 1 18 . 1 1 2 2 CYS CA C 13 60.820 0.000 . 1 . . . . A 2 CYS CA . 30149 1 19 . 1 1 2 2 CYS CB C 13 43.568 0.000 . 1 . . . . A 2 CYS CB . 30149 1 20 . 1 1 2 2 CYS N N 15 123.969 0.001 . 1 . . . . A 2 CYS N . 30149 1 21 . 1 1 3 3 MET H H 1 7.560 0.000 . 1 . . . . A 3 MET H . 30149 1 22 . 1 1 3 3 MET HA H 1 4.865 0.000 . 1 . . . . A 3 MET HA . 30149 1 23 . 1 1 3 3 MET HB2 H 1 2.300 0.000 . 1 . . . . A 3 MET HB2 . 30149 1 24 . 1 1 3 3 MET HB3 H 1 2.377 0.000 . 1 . . . . A 3 MET HB3 . 30149 1 25 . 1 1 3 3 MET HG2 H 1 2.249 0.001 . 1 . . . . A 3 MET HG2 . 30149 1 26 . 1 1 3 3 MET HG3 H 1 2.530 0.000 . 1 . . . . A 3 MET HG3 . 30149 1 27 . 1 1 3 3 MET HE1 H 1 2.125 0.000 . 1 . . . . A 3 MET HE1 . 30149 1 28 . 1 1 3 3 MET HE2 H 1 2.125 0.000 . 1 . . . . A 3 MET HE2 . 30149 1 29 . 1 1 3 3 MET HE3 H 1 2.125 0.000 . 1 . . . . A 3 MET HE3 . 30149 1 30 . 1 1 3 3 MET CB C 13 30.636 0.000 . 1 . . . . A 3 MET CB . 30149 1 31 . 1 1 3 3 MET CG C 13 28.874 0.000 . 1 . . . . A 3 MET CG . 30149 1 32 . 1 1 3 3 MET CE C 13 16.020 0.000 . 1 . . . . A 3 MET CE . 30149 1 33 . 1 1 3 3 MET N N 15 111.460 0.001 . 1 . . . . A 3 MET N . 30149 1 34 . 1 1 4 4 PRO HA H 1 4.773 0.000 . 1 . . . . A 4 PRO HA . 30149 1 35 . 1 1 4 4 PRO HB2 H 1 2.100 0.000 . 2 . . . . A 4 PRO HB2 . 30149 1 36 . 1 1 4 4 PRO HB3 H 1 1.142 0.000 . 2 . . . . A 4 PRO HB3 . 30149 1 37 . 1 1 4 4 PRO HG2 H 1 1.926 0.000 . 2 . . . . A 4 PRO HG2 . 30149 1 38 . 1 1 4 4 PRO HG3 H 1 2.048 0.000 . 2 . . . . A 4 PRO HG3 . 30149 1 39 . 1 1 4 4 PRO HD2 H 1 3.593 0.000 . 1 . . . . A 4 PRO HD2 . 30149 1 40 . 1 1 4 4 PRO HD3 H 1 3.817 0.000 . 1 . . . . A 4 PRO HD3 . 30149 1 41 . 1 1 4 4 PRO C C 13 174.710 0.000 . 1 . . . . A 4 PRO C . 30149 1 42 . 1 1 4 4 PRO CA C 13 62.384 0.000 . 1 . . . . A 4 PRO CA . 30149 1 43 . 1 1 4 4 PRO CB C 13 31.656 0.000 . 1 . . . . A 4 PRO CB . 30149 1 44 . 1 1 4 4 PRO CG C 13 27.596 0.000 . 1 . . . . A 4 PRO CG . 30149 1 45 . 1 1 4 4 PRO CD C 13 50.620 0.000 . 1 . . . . A 4 PRO CD . 30149 1 46 . 1 1 5 5 CYS H H 1 7.469 0.000 . 1 . . . . A 5 CYS H . 30149 1 47 . 1 1 5 5 CYS HA H 1 5.016 0.000 . 1 . . . . A 5 CYS HA . 30149 1 48 . 1 1 5 5 CYS HB2 H 1 2.850 0.000 . 1 . . . . A 5 CYS HB2 . 30149 1 49 . 1 1 5 5 CYS HB3 H 1 3.756 0.000 . 1 . . . . A 5 CYS HB3 . 30149 1 50 . 1 1 5 5 CYS C C 13 172.411 0.000 . 1 . . . . A 5 CYS C . 30149 1 51 . 1 1 5 5 CYS CA C 13 56.586 0.000 . 1 . . . . A 5 CYS CA . 30149 1 52 . 1 1 5 5 CYS CB C 13 47.366 0.000 . 1 . . . . A 5 CYS CB . 30149 1 53 . 1 1 5 5 CYS N N 15 115.552 0.004 . 1 . . . . A 5 CYS N . 30149 1 54 . 1 1 6 6 PHE H H 1 8.489 0.000 . 1 . . . . A 6 PHE H . 30149 1 55 . 1 1 6 6 PHE HA H 1 4.872 0.000 . 1 . . . . A 6 PHE HA . 30149 1 56 . 1 1 6 6 PHE HB2 H 1 2.912 0.002 . 1 . . . . A 6 PHE HB2 . 30149 1 57 . 1 1 6 6 PHE HB3 H 1 3.198 0.000 . 1 . . . . A 6 PHE HB3 . 30149 1 58 . 1 1 6 6 PHE HD1 H 1 7.313 0.004 . 1 . . . . A 6 PHE HD1 . 30149 1 59 . 1 1 6 6 PHE HD2 H 1 7.313 0.004 . 1 . . . . A 6 PHE HD2 . 30149 1 60 . 1 1 6 6 PHE HE1 H 1 7.314 0.000 . 1 . . . . A 6 PHE HE1 . 30149 1 61 . 1 1 6 6 PHE HE2 H 1 7.314 0.000 . 1 . . . . A 6 PHE HE2 . 30149 1 62 . 1 1 6 6 PHE HZ H 1 7.299 0.006 . 1 . . . . A 6 PHE HZ . 30149 1 63 . 1 1 6 6 PHE C C 13 175.658 0.000 . 1 . . . . A 6 PHE C . 30149 1 64 . 1 1 6 6 PHE CA C 13 56.605 0.000 . 1 . . . . A 6 PHE CA . 30149 1 65 . 1 1 6 6 PHE CB C 13 40.280 0.000 . 1 . . . . A 6 PHE CB . 30149 1 66 . 1 1 6 6 PHE CD1 C 13 132.139 0.003 . 1 . . . . A 6 PHE CD1 . 30149 1 67 . 1 1 6 6 PHE CE1 C 13 131.515 0.004 . 1 . . . . A 6 PHE CE1 . 30149 1 68 . 1 1 6 6 PHE CZ C 13 129.722 0.004 . 1 . . . . A 6 PHE CZ . 30149 1 69 . 1 1 6 6 PHE N N 15 122.790 0.001 . 1 . . . . A 6 PHE N . 30149 1 70 . 1 1 7 7 THR H H 1 8.558 0.000 . 1 . . . . A 7 THR H . 30149 1 71 . 1 1 7 7 THR HA H 1 4.235 0.000 . 1 . . . . A 7 THR HA . 30149 1 72 . 1 1 7 7 THR HB H 1 4.305 0.001 . 1 . . . . A 7 THR HB . 30149 1 73 . 1 1 7 7 THR HG21 H 1 1.248 0.000 . 1 . . . . A 7 THR HG21 . 30149 1 74 . 1 1 7 7 THR HG22 H 1 1.248 0.000 . 1 . . . . A 7 THR HG22 . 30149 1 75 . 1 1 7 7 THR HG23 H 1 1.248 0.000 . 1 . . . . A 7 THR HG23 . 30149 1 76 . 1 1 7 7 THR C C 13 174.376 0.000 . 1 . . . . A 7 THR C . 30149 1 77 . 1 1 7 7 THR CA C 13 63.951 0.000 . 1 . . . . A 7 THR CA . 30149 1 78 . 1 1 7 7 THR CB C 13 68.883 0.000 . 1 . . . . A 7 THR CB . 30149 1 79 . 1 1 7 7 THR CG2 C 13 22.023 0.000 . 1 . . . . A 7 THR CG2 . 30149 1 80 . 1 1 7 7 THR N N 15 115.632 0.001 . 1 . . . . A 7 THR N . 30149 1 81 . 1 1 8 8 THR H H 1 7.448 0.000 . 1 . . . . A 8 THR H . 30149 1 82 . 1 1 8 8 THR HA H 1 4.161 0.000 . 1 . . . . A 8 THR HA . 30149 1 83 . 1 1 8 8 THR HB H 1 4.399 0.000 . 1 . . . . A 8 THR HB . 30149 1 84 . 1 1 8 8 THR HG21 H 1 1.203 0.000 . 1 . . . . A 8 THR HG21 . 30149 1 85 . 1 1 8 8 THR HG22 H 1 1.203 0.000 . 1 . . . . A 8 THR HG22 . 30149 1 86 . 1 1 8 8 THR HG23 H 1 1.203 0.000 . 1 . . . . A 8 THR HG23 . 30149 1 87 . 1 1 8 8 THR C C 13 172.904 0.000 . 1 . . . . A 8 THR C . 30149 1 88 . 1 1 8 8 THR CA C 13 61.640 0.000 . 1 . . . . A 8 THR CA . 30149 1 89 . 1 1 8 8 THR CB C 13 68.815 0.000 . 1 . . . . A 8 THR CB . 30149 1 90 . 1 1 8 8 THR CG2 C 13 22.038 0.000 . 1 . . . . A 8 THR CG2 . 30149 1 91 . 1 1 8 8 THR N N 15 108.307 0.006 . 1 . . . . A 8 THR N . 30149 1 92 . 1 1 9 9 ASP H H 1 7.353 0.000 . 1 . . . . A 9 ASP H . 30149 1 93 . 1 1 9 9 ASP HA H 1 4.692 0.000 . 1 . . . . A 9 ASP HA . 30149 1 94 . 1 1 9 9 ASP HB2 H 1 2.563 0.000 . 2 . . . . A 9 ASP HB2 . 30149 1 95 . 1 1 9 9 ASP HB3 H 1 3.219 0.000 . 2 . . . . A 9 ASP HB3 . 30149 1 96 . 1 1 9 9 ASP CA C 13 53.017 0.000 . 1 . . . . A 9 ASP CA . 30149 1 97 . 1 1 9 9 ASP CB C 13 42.097 0.000 . 1 . . . . A 9 ASP CB . 30149 1 98 . 1 1 9 9 ASP N N 15 121.612 0.009 . 1 . . . . A 9 ASP N . 30149 1 99 . 1 1 10 10 HIS HA H 1 4.571 0.001 . 1 . . . . A 10 HIS HA . 30149 1 100 . 1 1 10 10 HIS HB2 H 1 3.373 0.000 . 2 . . . . A 10 HIS HB2 . 30149 1 101 . 1 1 10 10 HIS HB3 H 1 3.292 0.001 . 2 . . . . A 10 HIS HB3 . 30149 1 102 . 1 1 10 10 HIS HD2 H 1 7.292 0.001 . 1 . . . . A 10 HIS HD2 . 30149 1 103 . 1 1 10 10 HIS HE1 H 1 8.386 0.000 . 1 . . . . A 10 HIS HE1 . 30149 1 104 . 1 1 10 10 HIS C C 13 174.995 0.000 . 1 . . . . A 10 HIS C . 30149 1 105 . 1 1 10 10 HIS CA C 13 57.774 0.000 . 1 . . . . A 10 HIS CA . 30149 1 106 . 1 1 10 10 HIS CB C 13 28.758 0.000 . 1 . . . . A 10 HIS CB . 30149 1 107 . 1 1 10 10 HIS CD2 C 13 119.770 0.001 . 1 . . . . A 10 HIS CD2 . 30149 1 108 . 1 1 10 10 HIS CE1 C 13 137.261 0.000 . 1 . . . . A 10 HIS CE1 . 30149 1 109 . 1 1 11 11 GLN H H 1 8.870 0.000 . 1 . . . . A 11 GLN H . 30149 1 110 . 1 1 11 11 GLN HA H 1 4.705 0.000 . 1 . . . . A 11 GLN HA . 30149 1 111 . 1 1 11 11 GLN HB2 H 1 1.847 0.003 . 1 . . . . A 11 GLN HB2 . 30149 1 112 . 1 1 11 11 GLN HB3 H 1 2.450 0.000 . 1 . . . . A 11 GLN HB3 . 30149 1 113 . 1 1 11 11 GLN HG2 H 1 2.248 0.001 . 2 . . . . A 11 GLN HG2 . 30149 1 114 . 1 1 11 11 GLN HG3 H 1 2.219 0.000 . 2 . . . . A 11 GLN HG3 . 30149 1 115 . 1 1 11 11 GLN HE21 H 1 6.895 0.001 . 2 . . . . A 11 GLN HE21 . 30149 1 116 . 1 1 11 11 GLN HE22 H 1 7.623 0.001 . 2 . . . . A 11 GLN HE22 . 30149 1 117 . 1 1 11 11 GLN C C 13 175.169 0.000 . 1 . . . . A 11 GLN C . 30149 1 118 . 1 1 11 11 GLN CA C 13 54.979 0.000 . 1 . . . . A 11 GLN CA . 30149 1 119 . 1 1 11 11 GLN CB C 13 28.544 0.000 . 1 . . . . A 11 GLN CB . 30149 1 120 . 1 1 11 11 GLN CG C 13 33.693 0.000 . 1 . . . . A 11 GLN CG . 30149 1 121 . 1 1 11 11 GLN N N 15 118.341 0.002 . 1 . . . . A 11 GLN N . 30149 1 122 . 1 1 11 11 GLN NE2 N 15 112.577 0.001 . 1 . . . . A 11 GLN NE2 . 30149 1 123 . 1 1 12 12 MET H H 1 7.491 0.000 . 1 . . . . A 12 MET H . 30149 1 124 . 1 1 12 12 MET HA H 1 4.177 0.000 . 1 . . . . A 12 MET HA . 30149 1 125 . 1 1 12 12 MET HB2 H 1 2.500 0.000 . 1 . . . . A 12 MET HB2 . 30149 1 126 . 1 1 12 12 MET HB3 H 1 2.223 0.000 . 1 . . . . A 12 MET HB3 . 30149 1 127 . 1 1 12 12 MET HG2 H 1 2.995 0.000 . 1 . . . . A 12 MET HG2 . 30149 1 128 . 1 1 12 12 MET HG3 H 1 2.320 0.000 . 1 . . . . A 12 MET HG3 . 30149 1 129 . 1 1 12 12 MET HE1 H 1 2.348 0.000 . 1 . . . . A 12 MET HE1 . 30149 1 130 . 1 1 12 12 MET HE2 H 1 2.348 0.000 . 1 . . . . A 12 MET HE2 . 30149 1 131 . 1 1 12 12 MET HE3 H 1 2.348 0.000 . 1 . . . . A 12 MET HE3 . 30149 1 132 . 1 1 12 12 MET C C 13 176.764 0.000 . 1 . . . . A 12 MET C . 30149 1 133 . 1 1 12 12 MET CA C 13 58.344 0.000 . 1 . . . . A 12 MET CA . 30149 1 134 . 1 1 12 12 MET CB C 13 34.171 0.000 . 1 . . . . A 12 MET CB . 30149 1 135 . 1 1 12 12 MET CG C 13 33.394 0.000 . 1 . . . . A 12 MET CG . 30149 1 136 . 1 1 12 12 MET CE C 13 20.418 0.000 . 1 . . . . A 12 MET CE . 30149 1 137 . 1 1 12 12 MET N N 15 120.432 0.002 . 1 . . . . A 12 MET N . 30149 1 138 . 1 1 13 13 ALA H H 1 8.599 0.000 . 1 . . . . A 13 ALA H . 30149 1 139 . 1 1 13 13 ALA HA H 1 3.904 0.000 . 1 . . . . A 13 ALA HA . 30149 1 140 . 1 1 13 13 ALA HB1 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB1 . 30149 1 141 . 1 1 13 13 ALA HB2 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB2 . 30149 1 142 . 1 1 13 13 ALA HB3 H 1 1.400 0.000 . 1 . . . . A 13 ALA HB3 . 30149 1 143 . 1 1 13 13 ALA C C 13 179.734 0.000 . 1 . . . . A 13 ALA C . 30149 1 144 . 1 1 13 13 ALA CA C 13 55.320 0.000 . 1 . . . . A 13 ALA CA . 30149 1 145 . 1 1 13 13 ALA CB C 13 17.596 0.000 . 1 . . . . A 13 ALA CB . 30149 1 146 . 1 1 13 13 ALA N N 15 120.165 0.008 . 1 . . . . A 13 ALA N . 30149 1 147 . 1 1 14 14 ARG H H 1 7.778 0.001 . 1 . . . . A 14 ARG H . 30149 1 148 . 1 1 14 14 ARG HA H 1 4.204 0.001 . 1 . . . . A 14 ARG HA . 30149 1 149 . 1 1 14 14 ARG HB2 H 1 1.913 0.001 . 2 . . . . A 14 ARG HB2 . 30149 1 150 . 1 1 14 14 ARG HB3 H 1 1.913 0.001 . 2 . . . . A 14 ARG HB3 . 30149 1 151 . 1 1 14 14 ARG HG2 H 1 1.723 0.001 . 2 . . . . A 14 ARG HG2 . 30149 1 152 . 1 1 14 14 ARG HG3 H 1 1.723 0.001 . 2 . . . . A 14 ARG HG3 . 30149 1 153 . 1 1 14 14 ARG HD2 H 1 3.239 0.000 . 2 . . . . A 14 ARG HD2 . 30149 1 154 . 1 1 14 14 ARG HD3 H 1 3.160 0.001 . 2 . . . . A 14 ARG HD3 . 30149 1 155 . 1 1 14 14 ARG HE H 1 7.535 0.000 . 1 . . . . A 14 ARG HE . 30149 1 156 . 1 1 14 14 ARG C C 13 177.182 0.000 . 1 . . . . A 14 ARG C . 30149 1 157 . 1 1 14 14 ARG CA C 13 58.671 0.000 . 1 . . . . A 14 ARG CA . 30149 1 158 . 1 1 14 14 ARG CB C 13 29.318 0.000 . 1 . . . . A 14 ARG CB . 30149 1 159 . 1 1 14 14 ARG CG C 13 26.421 0.000 . 1 . . . . A 14 ARG CG . 30149 1 160 . 1 1 14 14 ARG CD C 13 43.187 0.000 . 1 . . . . A 14 ARG CD . 30149 1 161 . 1 1 14 14 ARG N N 15 120.842 0.004 . 1 . . . . A 14 ARG N . 30149 1 162 . 1 1 14 14 ARG NE N 15 113.487 0.000 . 1 . . . . A 14 ARG NE . 30149 1 163 . 1 1 15 15 LYS H H 1 8.221 0.000 . 1 . . . . A 15 LYS H . 30149 1 164 . 1 1 15 15 LYS HA H 1 4.005 0.000 . 1 . . . . A 15 LYS HA . 30149 1 165 . 1 1 15 15 LYS HB2 H 1 1.881 0.000 . 1 . . . . A 15 LYS HB2 . 30149 1 166 . 1 1 15 15 LYS HB3 H 1 1.726 0.000 . 1 . . . . A 15 LYS HB3 . 30149 1 167 . 1 1 15 15 LYS HG2 H 1 1.601 0.000 . 2 . . . . A 15 LYS HG2 . 30149 1 168 . 1 1 15 15 LYS HG3 H 1 1.415 0.000 . 2 . . . . A 15 LYS HG3 . 30149 1 169 . 1 1 15 15 LYS HD2 H 1 1.621 0.002 . 2 . . . . A 15 LYS HD2 . 30149 1 170 . 1 1 15 15 LYS HD3 H 1 1.621 0.002 . 2 . . . . A 15 LYS HD3 . 30149 1 171 . 1 1 15 15 LYS HE2 H 1 2.866 0.000 . 1 . . . . A 15 LYS HE2 . 30149 1 172 . 1 1 15 15 LYS HE3 H 1 2.930 0.000 . 1 . . . . A 15 LYS HE3 . 30149 1 173 . 1 1 15 15 LYS C C 13 178.459 0.000 . 1 . . . . A 15 LYS C . 30149 1 174 . 1 1 15 15 LYS CA C 13 59.949 0.000 . 1 . . . . A 15 LYS CA . 30149 1 175 . 1 1 15 15 LYS CB C 13 33.122 0.000 . 1 . . . . A 15 LYS CB . 30149 1 176 . 1 1 15 15 LYS CG C 13 26.457 0.000 . 1 . . . . A 15 LYS CG . 30149 1 177 . 1 1 15 15 LYS CD C 13 29.660 0.000 . 1 . . . . A 15 LYS CD . 30149 1 178 . 1 1 15 15 LYS CE C 13 42.181 0.000 . 1 . . . . A 15 LYS CE . 30149 1 179 . 1 1 15 15 LYS N N 15 118.858 0.003 . 1 . . . . A 15 LYS N . 30149 1 180 . 1 1 16 16 CYS H H 1 8.399 0.000 . 1 . . . . A 16 CYS H . 30149 1 181 . 1 1 16 16 CYS HA H 1 4.689 0.000 . 1 . . . . A 16 CYS HA . 30149 1 182 . 1 1 16 16 CYS HB2 H 1 2.939 0.001 . 1 . . . . A 16 CYS HB2 . 30149 1 183 . 1 1 16 16 CYS HB3 H 1 2.810 0.001 . 1 . . . . A 16 CYS HB3 . 30149 1 184 . 1 1 16 16 CYS C C 13 174.557 0.000 . 1 . . . . A 16 CYS C . 30149 1 185 . 1 1 16 16 CYS CA C 13 56.670 0.000 . 1 . . . . A 16 CYS CA . 30149 1 186 . 1 1 16 16 CYS CB C 13 35.721 0.000 . 1 . . . . A 16 CYS CB . 30149 1 187 . 1 1 16 16 CYS N N 15 118.785 0.000 . 1 . . . . A 16 CYS N . 30149 1 188 . 1 1 17 17 ASP H H 1 7.764 0.000 . 1 . . . . A 17 ASP H . 30149 1 189 . 1 1 17 17 ASP HA H 1 4.195 0.000 . 1 . . . . A 17 ASP HA . 30149 1 190 . 1 1 17 17 ASP HB2 H 1 2.864 0.000 . 1 . . . . A 17 ASP HB2 . 30149 1 191 . 1 1 17 17 ASP HB3 H 1 2.674 0.000 . 1 . . . . A 17 ASP HB3 . 30149 1 192 . 1 1 17 17 ASP C C 13 178.395 0.000 . 1 . . . . A 17 ASP C . 30149 1 193 . 1 1 17 17 ASP CA C 13 58.201 0.000 . 1 . . . . A 17 ASP CA . 30149 1 194 . 1 1 17 17 ASP CB C 13 40.026 0.000 . 1 . . . . A 17 ASP CB . 30149 1 195 . 1 1 17 17 ASP N N 15 121.957 0.006 . 1 . . . . A 17 ASP N . 30149 1 196 . 1 1 18 18 ASP H H 1 8.606 0.000 . 1 . . . . A 18 ASP H . 30149 1 197 . 1 1 18 18 ASP HA H 1 4.178 0.000 . 1 . . . . A 18 ASP HA . 30149 1 198 . 1 1 18 18 ASP HB2 H 1 2.732 0.000 . 1 . . . . A 18 ASP HB2 . 30149 1 199 . 1 1 18 18 ASP HB3 H 1 2.583 0.000 . 1 . . . . A 18 ASP HB3 . 30149 1 200 . 1 1 18 18 ASP C C 13 179.016 0.000 . 1 . . . . A 18 ASP C . 30149 1 201 . 1 1 18 18 ASP CA C 13 57.589 0.000 . 1 . . . . A 18 ASP CA . 30149 1 202 . 1 1 18 18 ASP CB C 13 39.671 0.000 . 1 . . . . A 18 ASP CB . 30149 1 203 . 1 1 18 18 ASP N N 15 119.621 0.008 . 1 . . . . A 18 ASP N . 30149 1 204 . 1 1 19 19 CYS H H 1 8.186 0.000 . 1 . . . . A 19 CYS H . 30149 1 205 . 1 1 19 19 CYS HA H 1 4.056 0.001 . 1 . . . . A 19 CYS HA . 30149 1 206 . 1 1 19 19 CYS HB2 H 1 3.348 0.000 . 1 . . . . A 19 CYS HB2 . 30149 1 207 . 1 1 19 19 CYS HB3 H 1 3.784 0.000 . 1 . . . . A 19 CYS HB3 . 30149 1 208 . 1 1 19 19 CYS C C 13 176.296 0.000 . 1 . . . . A 19 CYS C . 30149 1 209 . 1 1 19 19 CYS CA C 13 61.187 0.000 . 1 . . . . A 19 CYS CA . 30149 1 210 . 1 1 19 19 CYS CB C 13 40.635 0.000 . 1 . . . . A 19 CYS CB . 30149 1 211 . 1 1 19 19 CYS N N 15 122.057 0.001 . 1 . . . . A 19 CYS N . 30149 1 212 . 1 1 20 20 CYS H H 1 7.616 0.000 . 1 . . . . A 20 CYS H . 30149 1 213 . 1 1 20 20 CYS HA H 1 4.637 0.000 . 1 . . . . A 20 CYS HA . 30149 1 214 . 1 1 20 20 CYS HB2 H 1 3.136 0.000 . 2 . . . . A 20 CYS HB2 . 30149 1 215 . 1 1 20 20 CYS HB3 H 1 2.538 0.000 . 2 . . . . A 20 CYS HB3 . 30149 1 216 . 1 1 20 20 CYS C C 13 173.771 0.000 . 1 . . . . A 20 CYS C . 30149 1 217 . 1 1 20 20 CYS CA C 13 54.599 0.001 . 1 . . . . A 20 CYS CA . 30149 1 218 . 1 1 20 20 CYS CB C 13 38.849 0.000 . 1 . . . . A 20 CYS CB . 30149 1 219 . 1 1 20 20 CYS N N 15 115.946 0.005 . 1 . . . . A 20 CYS N . 30149 1 220 . 1 1 21 21 GLY H H 1 7.807 0.001 . 1 . . . . A 21 GLY H . 30149 1 221 . 1 1 21 21 GLY HA2 H 1 4.415 0.000 . 2 . . . . A 21 GLY HA2 . 30149 1 222 . 1 1 21 21 GLY HA3 H 1 3.797 0.000 . 2 . . . . A 21 GLY HA3 . 30149 1 223 . 1 1 21 21 GLY C C 13 173.667 0.000 . 1 . . . . A 21 GLY C . 30149 1 224 . 1 1 21 21 GLY CA C 13 45.534 0.000 . 1 . . . . A 21 GLY CA . 30149 1 225 . 1 1 21 21 GLY N N 15 107.835 0.004 . 1 . . . . A 21 GLY N . 30149 1 226 . 1 1 22 22 GLY H H 1 8.373 0.001 . 1 . . . . A 22 GLY H . 30149 1 227 . 1 1 22 22 GLY HA2 H 1 4.344 0.000 . 2 . . . . A 22 GLY HA2 . 30149 1 228 . 1 1 22 22 GLY HA3 H 1 3.775 0.000 . 2 . . . . A 22 GLY HA3 . 30149 1 229 . 1 1 22 22 GLY C C 13 171.025 0.000 . 1 . . . . A 22 GLY C . 30149 1 230 . 1 1 22 22 GLY CA C 13 44.794 0.000 . 1 . . . . A 22 GLY CA . 30149 1 231 . 1 1 22 22 GLY N N 15 109.873 0.009 . 1 . . . . A 22 GLY N . 30149 1 232 . 1 1 23 23 LYS H H 1 8.174 0.000 . 1 . . . . A 23 LYS H . 30149 1 233 . 1 1 23 23 LYS HA H 1 4.076 0.000 . 1 . . . . A 23 LYS HA . 30149 1 234 . 1 1 23 23 LYS HB2 H 1 1.758 0.000 . 2 . . . . A 23 LYS HB2 . 30149 1 235 . 1 1 23 23 LYS HB3 H 1 1.724 0.000 . 2 . . . . A 23 LYS HB3 . 30149 1 236 . 1 1 23 23 LYS HG2 H 1 1.440 0.000 . 2 . . . . A 23 LYS HG2 . 30149 1 237 . 1 1 23 23 LYS HG3 H 1 1.351 0.000 . 2 . . . . A 23 LYS HG3 . 30149 1 238 . 1 1 23 23 LYS HD2 H 1 1.675 0.000 . 2 . . . . A 23 LYS HD2 . 30149 1 239 . 1 1 23 23 LYS HD3 H 1 1.675 0.000 . 2 . . . . A 23 LYS HD3 . 30149 1 240 . 1 1 23 23 LYS HE2 H 1 2.980 0.000 . 2 . . . . A 23 LYS HE2 . 30149 1 241 . 1 1 23 23 LYS HE3 H 1 2.980 0.000 . 2 . . . . A 23 LYS HE3 . 30149 1 242 . 1 1 23 23 LYS C C 13 177.426 0.000 . 1 . . . . A 23 LYS C . 30149 1 243 . 1 1 23 23 LYS CA C 13 57.453 0.000 . 1 . . . . A 23 LYS CA . 30149 1 244 . 1 1 23 23 LYS CB C 13 32.102 0.000 . 1 . . . . A 23 LYS CB . 30149 1 245 . 1 1 23 23 LYS CG C 13 24.502 0.000 . 1 . . . . A 23 LYS CG . 30149 1 246 . 1 1 23 23 LYS CD C 13 29.192 0.001 . 1 . . . . A 23 LYS CD . 30149 1 247 . 1 1 23 23 LYS CE C 13 42.162 0.000 . 1 . . . . A 23 LYS CE . 30149 1 248 . 1 1 23 23 LYS N N 15 118.894 0.000 . 1 . . . . A 23 LYS N . 30149 1 249 . 1 1 24 24 GLY H H 1 9.178 0.000 . 1 . . . . A 24 GLY H . 30149 1 250 . 1 1 24 24 GLY HA2 H 1 4.045 0.000 . 2 . . . . A 24 GLY HA2 . 30149 1 251 . 1 1 24 24 GLY HA3 H 1 4.045 0.000 . 2 . . . . A 24 GLY HA3 . 30149 1 252 . 1 1 24 24 GLY C C 13 174.478 0.000 . 1 . . . . A 24 GLY C . 30149 1 253 . 1 1 24 24 GLY CA C 13 45.913 0.000 . 1 . . . . A 24 GLY CA . 30149 1 254 . 1 1 24 24 GLY N N 15 114.854 0.005 . 1 . . . . A 24 GLY N . 30149 1 255 . 1 1 25 25 ARG H H 1 7.844 0.000 . 1 . . . . A 25 ARG H . 30149 1 256 . 1 1 25 25 ARG HA H 1 4.202 0.000 . 1 . . . . A 25 ARG HA . 30149 1 257 . 1 1 25 25 ARG HB2 H 1 1.744 0.000 . 1 . . . . A 25 ARG HB2 . 30149 1 258 . 1 1 25 25 ARG HB3 H 1 1.958 0.000 . 1 . . . . A 25 ARG HB3 . 30149 1 259 . 1 1 25 25 ARG HG2 H 1 1.267 0.000 . 1 . . . . A 25 ARG HG2 . 30149 1 260 . 1 1 25 25 ARG HG3 H 1 1.313 0.000 . 1 . . . . A 25 ARG HG3 . 30149 1 261 . 1 1 25 25 ARG HD2 H 1 2.994 0.000 . 2 . . . . A 25 ARG HD2 . 30149 1 262 . 1 1 25 25 ARG HD3 H 1 2.994 0.000 . 2 . . . . A 25 ARG HD3 . 30149 1 263 . 1 1 25 25 ARG HE H 1 7.392 0.000 . 1 . . . . A 25 ARG HE . 30149 1 264 . 1 1 25 25 ARG C C 13 174.604 0.000 . 1 . . . . A 25 ARG C . 30149 1 265 . 1 1 25 25 ARG CA C 13 56.945 0.000 . 1 . . . . A 25 ARG CA . 30149 1 266 . 1 1 25 25 ARG CB C 13 30.654 0.000 . 1 . . . . A 25 ARG CB . 30149 1 267 . 1 1 25 25 ARG CG C 13 27.467 0.001 . 1 . . . . A 25 ARG CG . 30149 1 268 . 1 1 25 25 ARG CD C 13 42.201 0.000 . 1 . . . . A 25 ARG CD . 30149 1 269 . 1 1 25 25 ARG N N 15 118.170 0.008 . 1 . . . . A 25 ARG N . 30149 1 270 . 1 1 25 25 ARG NE N 15 112.117 0.008 . 1 . . . . A 25 ARG NE . 30149 1 271 . 1 1 26 26 GLY H H 1 8.856 0.000 . 1 . . . . A 26 GLY H . 30149 1 272 . 1 1 26 26 GLY HA2 H 1 5.202 0.000 . 1 . . . . A 26 GLY HA2 . 30149 1 273 . 1 1 26 26 GLY HA3 H 1 3.564 0.000 . 1 . . . . A 26 GLY HA3 . 30149 1 274 . 1 1 26 26 GLY C C 13 171.549 0.000 . 1 . . . . A 26 GLY C . 30149 1 275 . 1 1 26 26 GLY CA C 13 45.510 0.000 . 1 . . . . A 26 GLY CA . 30149 1 276 . 1 1 26 26 GLY N N 15 108.284 0.001 . 1 . . . . A 26 GLY N . 30149 1 277 . 1 1 27 27 LYS H H 1 8.550 0.000 . 1 . . . . A 27 LYS H . 30149 1 278 . 1 1 27 27 LYS HA H 1 4.348 0.000 . 1 . . . . A 27 LYS HA . 30149 1 279 . 1 1 27 27 LYS HB2 H 1 1.623 0.000 . 2 . . . . A 27 LYS HB2 . 30149 1 280 . 1 1 27 27 LYS HB3 H 1 1.623 0.000 . 2 . . . . A 27 LYS HB3 . 30149 1 281 . 1 1 27 27 LYS HG2 H 1 1.136 0.000 . 2 . . . . A 27 LYS HG2 . 30149 1 282 . 1 1 27 27 LYS HG3 H 1 0.880 0.000 . 2 . . . . A 27 LYS HG3 . 30149 1 283 . 1 1 27 27 LYS HD2 H 1 1.519 0.000 . 2 . . . . A 27 LYS HD2 . 30149 1 284 . 1 1 27 27 LYS HD3 H 1 1.460 0.000 . 2 . . . . A 27 LYS HD3 . 30149 1 285 . 1 1 27 27 LYS HE2 H 1 2.707 0.000 . 2 . . . . A 27 LYS HE2 . 30149 1 286 . 1 1 27 27 LYS HE3 H 1 2.707 0.000 . 2 . . . . A 27 LYS HE3 . 30149 1 287 . 1 1 27 27 LYS C C 13 173.968 0.000 . 1 . . . . A 27 LYS C . 30149 1 288 . 1 1 27 27 LYS CA C 13 55.583 0.000 . 1 . . . . A 27 LYS CA . 30149 1 289 . 1 1 27 27 LYS CB C 13 36.457 0.000 . 1 . . . . A 27 LYS CB . 30149 1 290 . 1 1 27 27 LYS CG C 13 24.805 0.000 . 1 . . . . A 27 LYS CG . 30149 1 291 . 1 1 27 27 LYS CD C 13 28.963 0.000 . 1 . . . . A 27 LYS CD . 30149 1 292 . 1 1 27 27 LYS CE C 13 42.228 0.000 . 1 . . . . A 27 LYS CE . 30149 1 293 . 1 1 27 27 LYS N N 15 123.064 0.002 . 1 . . . . A 27 LYS N . 30149 1 294 . 1 1 28 28 CYS H H 1 8.701 0.000 . 1 . . . . A 28 CYS H . 30149 1 295 . 1 1 28 28 CYS HA H 1 5.167 0.000 . 1 . . . . A 28 CYS HA . 30149 1 296 . 1 1 28 28 CYS HB2 H 1 2.910 0.000 . 2 . . . . A 28 CYS HB2 . 30149 1 297 . 1 1 28 28 CYS HB3 H 1 2.835 0.000 . 2 . . . . A 28 CYS HB3 . 30149 1 298 . 1 1 28 28 CYS C C 13 173.765 0.000 . 1 . . . . A 28 CYS C . 30149 1 299 . 1 1 28 28 CYS CA C 13 55.135 0.000 . 1 . . . . A 28 CYS CA . 30149 1 300 . 1 1 28 28 CYS CB C 13 41.167 0.000 . 1 . . . . A 28 CYS CB . 30149 1 301 . 1 1 28 28 CYS N N 15 123.061 0.004 . 1 . . . . A 28 CYS N . 30149 1 302 . 1 1 29 29 TYR H H 1 9.425 0.000 . 1 . . . . A 29 TYR H . 30149 1 303 . 1 1 29 29 TYR HA H 1 4.571 0.000 . 1 . . . . A 29 TYR HA . 30149 1 304 . 1 1 29 29 TYR HB2 H 1 2.957 0.003 . 1 . . . . A 29 TYR HB2 . 30149 1 305 . 1 1 29 29 TYR HB3 H 1 2.854 0.000 . 1 . . . . A 29 TYR HB3 . 30149 1 306 . 1 1 29 29 TYR HD1 H 1 7.193 0.000 . 1 . . . . A 29 TYR HD1 . 30149 1 307 . 1 1 29 29 TYR HD2 H 1 7.193 0.000 . 1 . . . . A 29 TYR HD2 . 30149 1 308 . 1 1 29 29 TYR HE1 H 1 6.821 0.000 . 1 . . . . A 29 TYR HE1 . 30149 1 309 . 1 1 29 29 TYR HE2 H 1 6.821 0.000 . 1 . . . . A 29 TYR HE2 . 30149 1 310 . 1 1 29 29 TYR C C 13 175.322 0.000 . 1 . . . . A 29 TYR C . 30149 1 311 . 1 1 29 29 TYR CA C 13 56.673 0.001 . 1 . . . . A 29 TYR CA . 30149 1 312 . 1 1 29 29 TYR CB C 13 37.919 0.000 . 1 . . . . A 29 TYR CB . 30149 1 313 . 1 1 29 29 TYR CD1 C 13 133.930 0.002 . 1 . . . . A 29 TYR CD1 . 30149 1 314 . 1 1 29 29 TYR CE1 C 13 118.129 0.002 . 1 . . . . A 29 TYR CE1 . 30149 1 315 . 1 1 29 29 TYR N N 15 128.377 0.007 . 1 . . . . A 29 TYR N . 30149 1 316 . 1 1 30 30 GLY H H 1 8.768 0.000 . 1 . . . . A 30 GLY H . 30149 1 317 . 1 1 30 30 GLY HA2 H 1 3.484 0.001 . 2 . . . . A 30 GLY HA2 . 30149 1 318 . 1 1 30 30 GLY HA3 H 1 4.214 0.001 . 2 . . . . A 30 GLY HA3 . 30149 1 319 . 1 1 30 30 GLY CA C 13 44.891 0.004 . 1 . . . . A 30 GLY CA . 30149 1 320 . 1 1 30 30 GLY N N 15 117.293 0.010 . 1 . . . . A 30 GLY N . 30149 1 321 . 1 1 31 31 PRO HA H 1 4.879 0.000 . 1 . . . . A 31 PRO HA . 30149 1 322 . 1 1 31 31 PRO HB2 H 1 2.234 0.000 . 2 . . . . A 31 PRO HB2 . 30149 1 323 . 1 1 31 31 PRO HB3 H 1 2.191 0.000 . 2 . . . . A 31 PRO HB3 . 30149 1 324 . 1 1 31 31 PRO HG2 H 1 1.810 0.000 . 2 . . . . A 31 PRO HG2 . 30149 1 325 . 1 1 31 31 PRO HG3 H 1 2.096 0.000 . 2 . . . . A 31 PRO HG3 . 30149 1 326 . 1 1 31 31 PRO HD2 H 1 3.991 0.000 . 1 . . . . A 31 PRO HD2 . 30149 1 327 . 1 1 31 31 PRO HD3 H 1 3.736 0.000 . 1 . . . . A 31 PRO HD3 . 30149 1 328 . 1 1 31 31 PRO C C 13 176.048 0.000 . 1 . . . . A 31 PRO C . 30149 1 329 . 1 1 31 31 PRO CA C 13 63.684 0.000 . 1 . . . . A 31 PRO CA . 30149 1 330 . 1 1 31 31 PRO CB C 13 32.152 0.000 . 1 . . . . A 31 PRO CB . 30149 1 331 . 1 1 31 31 PRO CG C 13 26.441 0.000 . 1 . . . . A 31 PRO CG . 30149 1 332 . 1 1 31 31 PRO CD C 13 50.509 0.000 . 1 . . . . A 31 PRO CD . 30149 1 333 . 1 1 32 32 GLN H H 1 7.704 0.000 . 1 . . . . A 32 GLN H . 30149 1 334 . 1 1 32 32 GLN HA H 1 4.765 0.000 . 1 . . . . A 32 GLN HA . 30149 1 335 . 1 1 32 32 GLN HB2 H 1 1.880 0.000 . 1 . . . . A 32 GLN HB2 . 30149 1 336 . 1 1 32 32 GLN HB3 H 1 2.191 0.000 . 1 . . . . A 32 GLN HB3 . 30149 1 337 . 1 1 32 32 GLN HG2 H 1 2.321 0.000 . 2 . . . . A 32 GLN HG2 . 30149 1 338 . 1 1 32 32 GLN HG3 H 1 2.321 0.000 . 2 . . . . A 32 GLN HG3 . 30149 1 339 . 1 1 32 32 GLN HE21 H 1 6.858 0.001 . 2 . . . . A 32 GLN HE21 . 30149 1 340 . 1 1 32 32 GLN HE22 H 1 7.531 0.000 . 2 . . . . A 32 GLN HE22 . 30149 1 341 . 1 1 32 32 GLN C C 13 172.174 0.000 . 1 . . . . A 32 GLN C . 30149 1 342 . 1 1 32 32 GLN CA C 13 56.462 0.000 . 1 . . . . A 32 GLN CA . 30149 1 343 . 1 1 32 32 GLN CB C 13 32.231 0.000 . 1 . . . . A 32 GLN CB . 30149 1 344 . 1 1 32 32 GLN CG C 13 33.781 0.000 . 1 . . . . A 32 GLN CG . 30149 1 345 . 1 1 32 32 GLN N N 15 121.573 0.007 . 1 . . . . A 32 GLN N . 30149 1 346 . 1 1 32 32 GLN NE2 N 15 111.018 0.008 . 1 . . . . A 32 GLN NE2 . 30149 1 347 . 1 1 33 33 CYS H H 1 8.484 0.000 . 1 . . . . A 33 CYS H . 30149 1 348 . 1 1 33 33 CYS HA H 1 4.955 0.000 . 1 . . . . A 33 CYS HA . 30149 1 349 . 1 1 33 33 CYS HB2 H 1 2.925 0.000 . 1 . . . . A 33 CYS HB2 . 30149 1 350 . 1 1 33 33 CYS HB3 H 1 3.093 0.000 . 1 . . . . A 33 CYS HB3 . 30149 1 351 . 1 1 33 33 CYS C C 13 172.203 0.000 . 1 . . . . A 33 CYS C . 30149 1 352 . 1 1 33 33 CYS CA C 13 56.245 0.000 . 1 . . . . A 33 CYS CA . 30149 1 353 . 1 1 33 33 CYS CB C 13 37.994 0.000 . 1 . . . . A 33 CYS CB . 30149 1 354 . 1 1 33 33 CYS N N 15 123.359 0.004 . 1 . . . . A 33 CYS N . 30149 1 355 . 1 1 34 34 LEU H H 1 9.102 0.000 . 1 . . . . A 34 LEU H . 30149 1 356 . 1 1 34 34 LEU HA H 1 5.058 0.000 . 1 . . . . A 34 LEU HA . 30149 1 357 . 1 1 34 34 LEU HB2 H 1 1.948 0.001 . 1 . . . . A 34 LEU HB2 . 30149 1 358 . 1 1 34 34 LEU HB3 H 1 1.461 0.000 . 1 . . . . A 34 LEU HB3 . 30149 1 359 . 1 1 34 34 LEU HG H 1 1.704 0.000 . 1 . . . . A 34 LEU HG . 30149 1 360 . 1 1 34 34 LEU HD11 H 1 0.688 0.000 . 1 . . . . A 34 LEU HD11 . 30149 1 361 . 1 1 34 34 LEU HD12 H 1 0.688 0.000 . 1 . . . . A 34 LEU HD12 . 30149 1 362 . 1 1 34 34 LEU HD13 H 1 0.688 0.000 . 1 . . . . A 34 LEU HD13 . 30149 1 363 . 1 1 34 34 LEU HD21 H 1 0.879 0.002 . 1 . . . . A 34 LEU HD21 . 30149 1 364 . 1 1 34 34 LEU HD22 H 1 0.879 0.002 . 1 . . . . A 34 LEU HD22 . 30149 1 365 . 1 1 34 34 LEU HD23 H 1 0.879 0.002 . 1 . . . . A 34 LEU HD23 . 30149 1 366 . 1 1 34 34 LEU C C 13 175.471 0.000 . 1 . . . . A 34 LEU C . 30149 1 367 . 1 1 34 34 LEU CA C 13 53.129 0.000 . 1 . . . . A 34 LEU CA . 30149 1 368 . 1 1 34 34 LEU CB C 13 43.408 0.000 . 1 . . . . A 34 LEU CB . 30149 1 369 . 1 1 34 34 LEU CG C 13 27.015 0.000 . 1 . . . . A 34 LEU CG . 30149 1 370 . 1 1 34 34 LEU CD1 C 13 24.743 0.000 . 1 . . . . A 34 LEU CD1 . 30149 1 371 . 1 1 34 34 LEU CD2 C 13 23.190 0.000 . 1 . . . . A 34 LEU CD2 . 30149 1 372 . 1 1 34 34 LEU N N 15 131.284 0.004 . 1 . . . . A 34 LEU N . 30149 1 373 . 1 1 35 35 CYS H H 1 8.802 0.000 . 1 . . . . A 35 CYS H . 30149 1 374 . 1 1 35 35 CYS HA H 1 5.597 0.000 . 1 . . . . A 35 CYS HA . 30149 1 375 . 1 1 35 35 CYS HB2 H 1 3.512 0.000 . 2 . . . . A 35 CYS HB2 . 30149 1 376 . 1 1 35 35 CYS HB3 H 1 2.666 0.000 . 2 . . . . A 35 CYS HB3 . 30149 1 377 . 1 1 35 35 CYS C C 13 174.432 0.000 . 1 . . . . A 35 CYS C . 30149 1 378 . 1 1 35 35 CYS CA C 13 52.184 0.000 . 1 . . . . A 35 CYS CA . 30149 1 379 . 1 1 35 35 CYS CB C 13 35.312 0.000 . 1 . . . . A 35 CYS CB . 30149 1 380 . 1 1 35 35 CYS N N 15 121.178 0.001 . 1 . . . . A 35 CYS N . 30149 1 381 . 1 1 36 36 ARG H H 1 8.603 0.000 . 1 . . . . A 36 ARG H . 30149 1 382 . 1 1 36 36 ARG HA H 1 4.181 0.000 . 1 . . . . A 36 ARG HA . 30149 1 383 . 1 1 36 36 ARG HB2 H 1 1.838 0.000 . 2 . . . . A 36 ARG HB2 . 30149 1 384 . 1 1 36 36 ARG HB3 H 1 1.744 0.000 . 2 . . . . A 36 ARG HB3 . 30149 1 385 . 1 1 36 36 ARG HG2 H 1 1.596 0.000 . 2 . . . . A 36 ARG HG2 . 30149 1 386 . 1 1 36 36 ARG HG3 H 1 1.552 0.000 . 2 . . . . A 36 ARG HG3 . 30149 1 387 . 1 1 36 36 ARG HD2 H 1 3.158 0.000 . 2 . . . . A 36 ARG HD2 . 30149 1 388 . 1 1 36 36 ARG HD3 H 1 3.158 0.000 . 2 . . . . A 36 ARG HD3 . 30149 1 389 . 1 1 36 36 ARG HE H 1 6.992 0.000 . 1 . . . . A 36 ARG HE . 30149 1 390 . 1 1 36 36 ARG CA C 13 57.974 0.000 . 1 . . . . A 36 ARG CA . 30149 1 391 . 1 1 36 36 ARG CB C 13 31.465 0.000 . 1 . . . . A 36 ARG CB . 30149 1 392 . 1 1 36 36 ARG CG C 13 27.226 0.000 . 1 . . . . A 36 ARG CG . 30149 1 393 . 1 1 36 36 ARG CD C 13 43.262 0.000 . 1 . . . . A 36 ARG CD . 30149 1 394 . 1 1 36 36 ARG N N 15 128.659 0.008 . 1 . . . . A 36 ARG N . 30149 1 395 . 1 1 36 36 ARG NE N 15 112.981 0.000 . 1 . . . . A 36 ARG NE . 30149 1 stop_ save_