################################### # 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 50983 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AMTC24-5 _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 2 '2D 1H-1H TOCSY' . . . 50983 1 3 '2D DQF-COSY' . . . 50983 1 4 '2D 1H-1H NOESY' . . . 50983 1 5 '2D 1H-13C HSQC' . . . 50983 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 . . 50983 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.8407 0.0000 . 2 . . . . . 1 GLY HA2 . 50983 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.8408 0.0000 . 2 . . . . . 1 GLY HA3 . 50983 1 3 . 1 . 1 1 1 GLY CA C 13 43.4610 0.0000 . 1 . . . . . 1 GLY CA . 50983 1 4 . 1 . 1 2 2 ILE HA H 1 4.1842 0.0000 . 1 . . . . . 2 ILE HA . 50983 1 5 . 1 . 1 2 2 ILE HB H 1 1.8065 0.0000 . 1 . . . . . 2 ILE HB . 50983 1 6 . 1 . 1 2 2 ILE HG12 H 1 1.3507 0.0000 . 2 . . . . . 2 ILE HG12 . 50983 1 7 . 1 . 1 2 2 ILE HG13 H 1 1.1306 0.0000 . 2 . . . . . 2 ILE HG13 . 50983 1 8 . 1 . 1 2 2 ILE HG21 H 1 0.8569 0.0000 . 1 . . . . . 2 ILE HG21 . 50983 1 9 . 1 . 1 2 2 ILE HG22 H 1 0.8569 0.0000 . 1 . . . . . 2 ILE HG21 . 50983 1 10 . 1 . 1 2 2 ILE HG23 H 1 0.8569 0.0000 . 1 . . . . . 2 ILE HG21 . 50983 1 11 . 1 . 1 2 2 ILE HD11 H 1 0.8401 0.0000 . 1 . . . . . 2 ILE HD11 . 50983 1 12 . 1 . 1 2 2 ILE HD12 H 1 0.8401 0.0000 . 1 . . . . . 2 ILE HD11 . 50983 1 13 . 1 . 1 2 2 ILE HD13 H 1 0.8401 0.0000 . 1 . . . . . 2 ILE HD11 . 50983 1 14 . 1 . 1 2 2 ILE CA C 13 61.5316 0.0000 . 1 . . . . . 2 ILE CA . 50983 1 15 . 1 . 1 2 2 ILE CB C 13 38.9330 0.0000 . 1 . . . . . 2 ILE CB . 50983 1 16 . 1 . 1 2 2 ILE CG1 C 13 27.2286 0.0000 . 1 . . . . . 2 ILE CG1 . 50983 1 17 . 1 . 1 2 2 ILE CG2 C 13 17.4964 0.0000 . 1 . . . . . 2 ILE CG2 . 50983 1 18 . 1 . 1 2 2 ILE CD1 C 13 13.1862 0.0000 . 1 . . . . . 2 ILE CD1 . 50983 1 19 . 1 . 1 3 3 PHE H H 1 8.4764 0.0000 . 1 . . . . . 3 PHE H . 50983 1 20 . 1 . 1 3 3 PHE HA H 1 4.5247 0.0000 . 1 . . . . . 3 PHE HA . 50983 1 21 . 1 . 1 3 3 PHE HB2 H 1 3.1030 0.0000 . 2 . . . . . 3 PHE HB2 . 50983 1 22 . 1 . 1 3 3 PHE HB3 H 1 3.0757 0.0000 . 2 . . . . . 3 PHE HB3 . 50983 1 23 . 1 . 1 3 3 PHE HD1 H 1 7.2052 0.0000 . 3 . . . . . 3 PHE HD1 . 50983 1 24 . 1 . 1 3 3 PHE HE1 H 1 7.2796 0.0000 . 3 . . . . . 3 PHE HE1 . 50983 1 25 . 1 . 1 3 3 PHE HZ H 1 7.2051 0.0000 . 1 . . . . . 3 PHE HZ . 50983 1 26 . 1 . 1 3 3 PHE CA C 13 58.9460 0.0000 . 1 . . . . . 3 PHE CA . 50983 1 27 . 1 . 1 3 3 PHE CB C 13 39.5031 0.0000 . 1 . . . . . 3 PHE CB . 50983 1 28 . 1 . 1 3 3 PHE CD1 C 13 131.7977 0.0000 . 3 . . . . . 3 PHE CD1 . 50983 1 29 . 1 . 1 3 3 PHE CE1 C 13 131.4506 0.0000 . 3 . . . . . 3 PHE CE1 . 50983 1 30 . 1 . 1 3 3 PHE CZ C 13 129.8916 0.0000 . 1 . . . . . 3 PHE CZ . 50983 1 31 . 1 . 1 4 4 LYS H H 1 8.3280 0.0000 . 1 . . . . . 4 LYS H . 50983 1 32 . 1 . 1 4 4 LYS HA H 1 4.1424 0.0000 . 1 . . . . . 4 LYS HA . 50983 1 33 . 1 . 1 4 4 LYS HB2 H 1 1.8095 0.0000 . 2 . . . . . 4 LYS HB2 . 50983 1 34 . 1 . 1 4 4 LYS HB3 H 1 1.7551 0.0000 . 2 . . . . . 4 LYS HB3 . 50983 1 35 . 1 . 1 4 4 LYS HG2 H 1 1.4635 0.0000 . 2 . . . . . 4 LYS HG2 . 50983 1 36 . 1 . 1 4 4 LYS HG3 H 1 1.3701 0.0000 . 2 . . . . . 4 LYS HG3 . 50983 1 37 . 1 . 1 4 4 LYS HD2 H 1 1.6805 0.0000 . 2 . . . . . 4 LYS HD2 . 50983 1 38 . 1 . 1 4 4 LYS HE2 H 1 2.9762 0.0000 . 2 . . . . . 4 LYS HE2 . 50983 1 39 . 1 . 1 4 4 LYS CA C 13 57.4772 0.0000 . 1 . . . . . 4 LYS CA . 50983 1 40 . 1 . 1 4 4 LYS CB C 13 32.8224 0.0000 . 1 . . . . . 4 LYS CB . 50983 1 41 . 1 . 1 4 4 LYS CG C 13 25.0109 0.0000 . 1 . . . . . 4 LYS CG . 50983 1 42 . 1 . 1 4 4 LYS CD C 13 29.3486 0.0000 . 1 . . . . . 4 LYS CD . 50983 1 43 . 1 . 1 4 4 LYS CE C 13 42.1706 0.0000 . 1 . . . . . 4 LYS CE . 50983 1 44 . 1 . 1 5 5 ARG H H 1 8.1534 0.0000 . 1 . . . . . 5 ARG H . 50983 1 45 . 1 . 1 5 5 ARG HA H 1 4.1418 0.0000 . 1 . . . . . 5 ARG HA . 50983 1 46 . 1 . 1 5 5 ARG HB2 H 1 1.8100 0.0000 . 2 . . . . . 5 ARG HB2 . 50983 1 47 . 1 . 1 5 5 ARG HG2 H 1 1.6514 0.0000 . 2 . . . . . 5 ARG HG2 . 50983 1 48 . 1 . 1 5 5 ARG HG3 H 1 1.5660 0.0000 . 2 . . . . . 5 ARG HG3 . 50983 1 49 . 1 . 1 5 5 ARG HD2 H 1 3.1890 0.0000 . 2 . . . . . 5 ARG HD2 . 50983 1 50 . 1 . 1 5 5 ARG HE H 1 7.1673 0.0000 . 1 . . . . . 5 ARG HE . 50983 1 51 . 1 . 1 5 5 ARG CA C 13 57.4772 0.0000 . 1 . . . . . 5 ARG CA . 50983 1 52 . 1 . 1 5 5 ARG CB C 13 30.3977 0.0000 . 1 . . . . . 5 ARG CB . 50983 1 53 . 1 . 1 5 5 ARG CG C 13 27.2067 0.0000 . 1 . . . . . 5 ARG CG . 50983 1 54 . 1 . 1 5 5 ARG CD C 13 43.5237 0.0000 . 1 . . . . . 5 ARG CD . 50983 1 55 . 1 . 1 6 6 LEU H H 1 8.3206 0.0000 . 1 . . . . . 6 LEU H . 50983 1 56 . 1 . 1 6 6 LEU HA H 1 4.2600 0.0000 . 1 . . . . . 6 LEU HA . 50983 1 57 . 1 . 1 6 6 LEU HB2 H 1 1.6805 0.0000 . 2 . . . . . 6 LEU HB2 . 50983 1 58 . 1 . 1 6 6 LEU HB3 H 1 1.4336 0.0000 . 2 . . . . . 6 LEU HB3 . 50983 1 59 . 1 . 1 6 6 LEU HG H 1 1.6482 0.0000 . 1 . . . . . 6 LEU HG . 50983 1 60 . 1 . 1 6 6 LEU HD11 H 1 0.9208 0.0000 . 2 . . . . . 6 LEU HD11 . 50983 1 61 . 1 . 1 6 6 LEU HD12 H 1 0.9208 0.0000 . 2 . . . . . 6 LEU HD11 . 50983 1 62 . 1 . 1 6 6 LEU HD13 H 1 0.9208 0.0000 . 2 . . . . . 6 LEU HD11 . 50983 1 63 . 1 . 1 6 6 LEU HD21 H 1 0.8594 0.0000 . 2 . . . . . 6 LEU HD21 . 50983 1 64 . 1 . 1 6 6 LEU HD22 H 1 0.8594 0.0000 . 2 . . . . . 6 LEU HD21 . 50983 1 65 . 1 . 1 6 6 LEU HD23 H 1 0.8594 0.0000 . 2 . . . . . 6 LEU HD21 . 50983 1 66 . 1 . 1 6 6 LEU CA C 13 56.0493 0.0000 . 1 . . . . . 6 LEU CA . 50983 1 67 . 1 . 1 6 6 LEU CB C 13 42.4697 0.0000 . 1 . . . . . 6 LEU CB . 50983 1 68 . 1 . 1 6 6 LEU CG C 13 26.6136 0.0000 . 1 . . . . . 6 LEU CG . 50983 1 69 . 1 . 1 6 6 LEU CD1 C 13 25.2052 0.0000 . 2 . . . . . 6 LEU CD1 . 50983 1 70 . 1 . 1 6 6 LEU CD2 C 13 23.0815 0.0000 . 2 . . . . . 6 LEU CD2 . 50983 1 71 . 1 . 1 7 7 TYR H H 1 8.4486 0.0000 . 1 . . . . . 7 TYR H . 50983 1 72 . 1 . 1 7 7 TYR HA H 1 4.2613 0.0000 . 1 . . . . . 7 TYR HA . 50983 1 73 . 1 . 1 7 7 TYR HB2 H 1 2.9692 0.0000 . 2 . . . . . 7 TYR HB2 . 50983 1 74 . 1 . 1 7 7 TYR HB3 H 1 2.7854 0.0000 . 2 . . . . . 7 TYR HB3 . 50983 1 75 . 1 . 1 7 7 TYR HD1 H 1 7.0106 0.0000 . 3 . . . . . 7 TYR HD1 . 50983 1 76 . 1 . 1 7 7 TYR HE1 H 1 6.8047 0.0000 . 3 . . . . . 7 TYR HE1 . 50983 1 77 . 1 . 1 7 7 TYR CA C 13 59.8272 0.0000 . 1 . . . . . 7 TYR CA . 50983 1 78 . 1 . 1 7 7 TYR CB C 13 38.8097 0.0000 . 1 . . . . . 7 TYR CB . 50983 1 79 . 1 . 1 7 7 TYR CD1 C 13 133.0669 0.0000 . 3 . . . . . 7 TYR CD1 . 50983 1 80 . 1 . 1 7 7 TYR CE1 C 13 118.3196 0.0000 . 3 . . . . . 7 TYR CE1 . 50983 1 81 . 1 . 1 8 8 LYS H H 1 8.2016 0.0000 . 1 . . . . . 8 LYS H . 50983 1 82 . 1 . 1 8 8 LYS HA H 1 4.0399 0.0000 . 1 . . . . . 8 LYS HA . 50983 1 83 . 1 . 1 8 8 LYS HB2 H 1 1.7742 0.0000 . 2 . . . . . 8 LYS HB2 . 50983 1 84 . 1 . 1 8 8 LYS HG2 H 1 1.4449 0.0000 . 2 . . . . . 8 LYS HG2 . 50983 1 85 . 1 . 1 8 8 LYS HG3 H 1 1.3637 0.0000 . 2 . . . . . 8 LYS HG3 . 50983 1 86 . 1 . 1 8 8 LYS HD2 H 1 1.6664 0.0000 . 2 . . . . . 8 LYS HD2 . 50983 1 87 . 1 . 1 8 8 LYS HE2 H 1 2.9486 0.0000 . 2 . . . . . 8 LYS HE2 . 50983 1 88 . 1 . 1 8 8 LYS CA C 13 57.9199 0.0000 . 1 . . . . . 8 LYS CA . 50983 1 89 . 1 . 1 8 8 LYS CB C 13 32.7935 0.0000 . 1 . . . . . 8 LYS CB . 50983 1 90 . 1 . 1 8 8 LYS CG C 13 24.9252 0.0000 . 1 . . . . . 8 LYS CG . 50983 1 91 . 1 . 1 8 8 LYS CD C 13 29.3486 0.0000 . 1 . . . . . 8 LYS CD . 50983 1 92 . 1 . 1 8 8 LYS CE C 13 42.1746 0.0000 . 1 . . . . . 8 LYS CE . 50983 1 93 . 1 . 1 9 9 GLN H H 1 8.0733 0.0000 . 1 . . . . . 9 GLN H . 50983 1 94 . 1 . 1 9 9 GLN HA H 1 4.0729 0.0000 . 1 . . . . . 9 GLN HA . 50983 1 95 . 1 . 1 9 9 GLN HB2 H 1 2.0476 0.0000 . 2 . . . . . 9 GLN HB2 . 50983 1 96 . 1 . 1 9 9 GLN HG2 H 1 2.3205 0.0000 . 2 . . . . . 9 GLN HG2 . 50983 1 97 . 1 . 1 9 9 GLN HE21 H 1 7.6665 0.0000 . 2 . . . . . 9 GLN HE21 . 50983 1 98 . 1 . 1 9 9 GLN HE22 H 1 6.8840 0.0000 . 2 . . . . . 9 GLN HE22 . 50983 1 99 . 1 . 1 9 9 GLN CA C 13 57.1820 0.0000 . 1 . . . . . 9 GLN CA . 50983 1 100 . 1 . 1 9 9 GLN CB C 13 28.9331 0.0000 . 1 . . . . . 9 GLN CB . 50983 1 101 . 1 . 1 9 9 GLN CG C 13 33.6222 0.0000 . 1 . . . . . 9 GLN CG . 50983 1 102 . 1 . 1 10 10 TRP H H 1 8.0735 0.0000 . 1 . . . . . 10 TRP H . 50983 1 103 . 1 . 1 10 10 TRP HA H 1 4.4596 0.0000 . 1 . . . . . 10 TRP HA . 50983 1 104 . 1 . 1 10 10 TRP HB2 H 1 3.1762 0.0000 . 2 . . . . . 10 TRP HB2 . 50983 1 105 . 1 . 1 10 10 TRP HB3 H 1 3.3799 0.0000 . 2 . . . . . 10 TRP HB3 . 50983 1 106 . 1 . 1 10 10 TRP HD1 H 1 7.1170 0.0000 . 1 . . . . . 10 TRP HD1 . 50983 1 107 . 1 . 1 10 10 TRP HE1 H 1 9.9488 0.0000 . 1 . . . . . 10 TRP HE1 . 50983 1 108 . 1 . 1 10 10 TRP HE3 H 1 7.3046 0.0000 . 1 . . . . . 10 TRP HE3 . 50983 1 109 . 1 . 1 10 10 TRP HZ2 H 1 7.3494 0.0000 . 1 . . . . . 10 TRP HZ2 . 50983 1 110 . 1 . 1 10 10 TRP HZ3 H 1 7.1232 0.0000 . 1 . . . . . 10 TRP HZ3 . 50983 1 111 . 1 . 1 10 10 TRP HH2 H 1 7.2232 0.0000 . 1 . . . . . 10 TRP HH2 . 50983 1 112 . 1 . 1 10 10 TRP CA C 13 59.2912 0.0000 . 1 . . . . . 10 TRP CA . 50983 1 113 . 1 . 1 10 10 TRP CB C 13 28.6059 0.0000 . 1 . . . . . 10 TRP CB . 50983 1 114 . 1 . 1 10 10 TRP CD1 C 13 127.4227 0.0000 . 1 . . . . . 10 TRP CD1 . 50983 1 115 . 1 . 1 10 10 TRP CE3 C 13 120.8108 0.0000 . 1 . . . . . 10 TRP CE3 . 50983 1 116 . 1 . 1 10 10 TRP CZ2 C 13 114.5167 0.0000 . 1 . . . . . 10 TRP CZ2 . 50983 1 117 . 1 . 1 10 10 TRP CZ3 C 13 122.3874 0.0000 . 1 . . . . . 10 TRP CZ3 . 50983 1 118 . 1 . 1 10 10 TRP CH2 C 13 124.3773 0.0000 . 1 . . . . . 10 TRP CH2 . 50983 1 119 . 1 . 1 11 11 LEU H H 1 8.1087 0.0000 . 1 . . . . . 11 LEU H . 50983 1 120 . 1 . 1 11 11 LEU HA H 1 3.8523 0.0000 . 1 . . . . . 11 LEU HA . 50983 1 121 . 1 . 1 11 11 LEU HB2 H 1 1.6777 0.0000 . 2 . . . . . 11 LEU HB2 . 50983 1 122 . 1 . 1 11 11 LEU HB3 H 1 1.4222 0.0000 . 2 . . . . . 11 LEU HB3 . 50983 1 123 . 1 . 1 11 11 LEU HG H 1 1.5102 0.0000 . 1 . . . . . 11 LEU HG . 50983 1 124 . 1 . 1 11 11 LEU HD11 H 1 0.8978 0.0000 . 2 . . . . . 11 LEU HD11 . 50983 1 125 . 1 . 1 11 11 LEU HD12 H 1 0.8978 0.0000 . 2 . . . . . 11 LEU HD11 . 50983 1 126 . 1 . 1 11 11 LEU HD13 H 1 0.8978 0.0000 . 2 . . . . . 11 LEU HD11 . 50983 1 127 . 1 . 1 11 11 LEU HD21 H 1 0.8258 0.0000 . 2 . . . . . 11 LEU HD21 . 50983 1 128 . 1 . 1 11 11 LEU HD22 H 1 0.8258 0.0000 . 2 . . . . . 11 LEU HD21 . 50983 1 129 . 1 . 1 11 11 LEU HD23 H 1 0.8258 0.0000 . 2 . . . . . 11 LEU HD21 . 50983 1 130 . 1 . 1 11 11 LEU CA C 13 56.3556 0.0000 . 1 . . . . . 11 LEU CA . 50983 1 131 . 1 . 1 11 11 LEU CB C 13 42.2709 0.0000 . 1 . . . . . 11 LEU CB . 50983 1 132 . 1 . 1 11 11 LEU CG C 13 26.8014 0.0000 . 1 . . . . . 11 LEU CG . 50983 1 133 . 1 . 1 11 11 LEU CD1 C 13 25.3686 0.0000 . 2 . . . . . 11 LEU CD1 . 50983 1 134 . 1 . 1 11 11 LEU CD2 C 13 23.3615 0.0000 . 2 . . . . . 11 LEU CD2 . 50983 1 135 . 1 . 1 12 12 LYS H H 1 8.0763 0.0000 . 1 . . . . . 12 LYS H . 50983 1 136 . 1 . 1 12 12 LYS HA H 1 4.0470 0.0000 . 1 . . . . . 12 LYS HA . 50983 1 137 . 1 . 1 12 12 LYS HB2 H 1 1.8611 0.0000 . 2 . . . . . 12 LYS HB2 . 50983 1 138 . 1 . 1 12 12 LYS HB3 H 1 1.7986 0.0000 . 2 . . . . . 12 LYS HB3 . 50983 1 139 . 1 . 1 12 12 LYS HG2 H 1 1.4244 0.0000 . 2 . . . . . 12 LYS HG2 . 50983 1 140 . 1 . 1 12 12 LYS HD2 H 1 1.6621 0.0000 . 2 . . . . . 12 LYS HD2 . 50983 1 141 . 1 . 1 12 12 LYS HE2 H 1 2.9772 0.0000 . 2 . . . . . 12 LYS HE2 . 50983 1 142 . 1 . 1 12 12 LYS CA C 13 57.8018 0.0000 . 1 . . . . . 12 LYS CA . 50983 1 143 . 1 . 1 12 12 LYS CB C 13 32.4404 0.0000 . 1 . . . . . 12 LYS CB . 50983 1 144 . 1 . 1 12 12 LYS CG C 13 24.7781 0.0000 . 1 . . . . . 12 LYS CG . 50983 1 145 . 1 . 1 12 12 LYS CD C 13 29.3486 0.0000 . 1 . . . . . 12 LYS CD . 50983 1 146 . 1 . 1 12 12 LYS CE C 13 42.1734 0.0000 . 1 . . . . . 12 LYS CE . 50983 1 147 . 1 . 1 13 13 ASP H H 1 8.1234 0.0000 . 1 . . . . . 13 ASP H . 50983 1 148 . 1 . 1 13 13 ASP HA H 1 4.5571 0.0000 . 1 . . . . . 13 ASP HA . 50983 1 149 . 1 . 1 13 13 ASP HB2 H 1 2.7977 0.0000 . 2 . . . . . 13 ASP HB2 . 50983 1 150 . 1 . 1 13 13 ASP HB3 H 1 2.6819 0.0000 . 2 . . . . . 13 ASP HB3 . 50983 1 151 . 1 . 1 13 13 ASP CA C 13 54.5617 0.0000 . 1 . . . . . 13 ASP CA . 50983 1 152 . 1 . 1 13 13 ASP CB C 13 41.1245 0.0000 . 1 . . . . . 13 ASP CB . 50983 1 153 . 1 . 1 14 14 GLY H H 1 7.9055 0.0000 . 1 . . . . . 14 GLY H . 50983 1 154 . 1 . 1 14 14 GLY HA2 H 1 4.0416 0.0000 . 2 . . . . . 14 GLY HA2 . 50983 1 155 . 1 . 1 14 14 GLY HA3 H 1 3.7223 0.0000 . 2 . . . . . 14 GLY HA3 . 50983 1 156 . 1 . 1 14 14 GLY CA C 13 44.5284 0.0000 . 1 . . . . . 14 GLY CA . 50983 1 157 . 1 . 1 15 15 GLY H H 1 8.2878 0.0000 . 1 . . . . . 15 GLY H . 50983 1 158 . 1 . 1 15 15 GLY HA2 H 1 3.6010 0.0000 . 2 . . . . . 15 GLY HA2 . 50983 1 159 . 1 . 1 15 15 GLY CA C 13 43.9905 0.0000 . 1 . . . . . 15 GLY CA . 50983 1 160 . 1 . 1 16 16 PRO HA H 1 4.5224 0.0000 . 1 . . . . . 16 PRO HA . 50983 1 161 . 1 . 1 16 16 PRO HB2 H 1 2.3955 0.0000 . 2 . . . . . 16 PRO HB2 . 50983 1 162 . 1 . 1 16 16 PRO HB3 H 1 2.0158 0.0000 . 2 . . . . . 16 PRO HB3 . 50983 1 163 . 1 . 1 16 16 PRO HG2 H 1 2.0799 0.0000 . 2 . . . . . 16 PRO HG2 . 50983 1 164 . 1 . 1 16 16 PRO HD2 H 1 3.7064 0.0000 . 2 . . . . . 16 PRO HD2 . 50983 1 165 . 1 . 1 16 16 PRO HD3 H 1 3.4901 0.0000 . 2 . . . . . 16 PRO HD3 . 50983 1 166 . 1 . 1 16 16 PRO CA C 13 63.9419 0.0000 . 1 . . . . . 16 PRO CA . 50983 1 167 . 1 . 1 16 16 PRO CB C 13 32.0757 0.0000 . 1 . . . . . 16 PRO CB . 50983 1 168 . 1 . 1 16 16 PRO CG C 13 27.3777 0.0000 . 1 . . . . . 16 PRO CG . 50983 1 169 . 1 . 1 16 16 PRO CD C 13 50.4516 0.0000 . 1 . . . . . 16 PRO CD . 50983 1 170 . 1 . 1 17 17 SER H H 1 8.1148 0.0000 . 1 . . . . . 17 SER H . 50983 1 171 . 1 . 1 17 17 SER HA H 1 4.4669 0.0000 . 1 . . . . . 17 SER HA . 50983 1 172 . 1 . 1 17 17 SER HB2 H 1 3.9065 0.0000 . 2 . . . . . 17 SER HB2 . 50983 1 173 . 1 . 1 17 17 SER CA C 13 59.0831 0.0000 . 1 . . . . . 17 SER CA . 50983 1 174 . 1 . 1 17 17 SER CB C 13 63.5833 0.0000 . 1 . . . . . 17 SER CB . 50983 1 175 . 1 . 1 18 18 SER H H 1 8.2122 0.0000 . 1 . . . . . 18 SER H . 50983 1 176 . 1 . 1 18 18 SER HA H 1 4.3036 0.0000 . 1 . . . . . 18 SER HA . 50983 1 177 . 1 . 1 18 18 SER HB2 H 1 3.8891 0.0000 . 2 . . . . . 18 SER HB2 . 50983 1 178 . 1 . 1 18 18 SER HB3 H 1 3.6901 0.0000 . 2 . . . . . 18 SER HB3 . 50983 1 179 . 1 . 1 18 18 SER CA C 13 59.5339 0.0000 . 1 . . . . . 18 SER CA . 50983 1 180 . 1 . 1 18 18 SER CB C 13 64.5965 0.0000 . 1 . . . . . 18 SER CB . 50983 1 181 . 1 . 1 19 19 GLY H H 1 8.1504 0.0000 . 1 . . . . . 19 GLY H . 50983 1 182 . 1 . 1 19 19 GLY HA2 H 1 4.1092 0.0000 . 2 . . . . . 19 GLY HA2 . 50983 1 183 . 1 . 1 19 19 GLY HA3 H 1 3.8893 0.0000 . 2 . . . . . 19 GLY HA3 . 50983 1 184 . 1 . 1 19 19 GLY CA C 13 45.3761 0.0000 . 1 . . . . . 19 GLY CA . 50983 1 185 . 1 . 1 20 20 ARG H H 1 8.0964 0.0000 . 1 . . . . . 20 ARG H . 50983 1 186 . 1 . 1 20 20 ARG HA H 1 4.8250 0.0000 . 1 . . . . . 20 ARG HA . 50983 1 187 . 1 . 1 20 20 ARG HB2 H 1 1.8065 0.0000 . 2 . . . . . 20 ARG HB2 . 50983 1 188 . 1 . 1 20 20 ARG HG2 H 1 1.6889 0.0000 . 2 . . . . . 20 ARG HG2 . 50983 1 189 . 1 . 1 20 20 ARG HD2 H 1 3.2176 0.0000 . 2 . . . . . 20 ARG HD2 . 50983 1 190 . 1 . 1 20 20 ARG HE H 1 7.3374 0.0000 . 1 . . . . . 20 ARG HE . 50983 1 191 . 1 . 1 20 20 ARG CB C 13 30.3977 0.0000 . 1 . . . . . 20 ARG CB . 50983 1 192 . 1 . 1 20 20 ARG CG C 13 26.8387 0.0000 . 1 . . . . . 20 ARG CG . 50983 1 193 . 1 . 1 20 20 ARG CD C 13 43.5571 0.0000 . 1 . . . . . 20 ARG CD . 50983 1 194 . 1 . 1 21 21 PRO HA H 1 4.7086 0.0000 . 1 . . . . . 21 PRO HA . 50983 1 195 . 1 . 1 21 21 PRO HB2 H 1 2.3260 0.0000 . 2 . . . . . 21 PRO HB2 . 50983 1 196 . 1 . 1 21 21 PRO HB3 H 1 1.8401 0.0000 . 2 . . . . . 21 PRO HB3 . 50983 1 197 . 1 . 1 21 21 PRO HG2 H 1 2.0145 0.0000 . 2 . . . . . 21 PRO HG2 . 50983 1 198 . 1 . 1 21 21 PRO HD2 H 1 3.8421 0.0000 . 2 . . . . . 21 PRO HD2 . 50983 1 199 . 1 . 1 21 21 PRO HD3 H 1 3.6258 0.0000 . 2 . . . . . 21 PRO HD3 . 50983 1 200 . 1 . 1 21 21 PRO CB C 13 30.7497 0.0000 . 1 . . . . . 21 PRO CB . 50983 1 201 . 1 . 1 21 21 PRO CG C 13 27.2857 0.0000 . 1 . . . . . 21 PRO CG . 50983 1 202 . 1 . 1 21 21 PRO CD C 13 50.7523 0.0000 . 1 . . . . . 21 PRO CD . 50983 1 203 . 1 . 1 22 22 PRO HB2 H 1 1.6276 0.0000 . 2 . . . . . 22 PRO HB2 . 50983 1 204 . 1 . 1 22 22 PRO HB3 H 1 1.3601 0.0000 . 2 . . . . . 22 PRO HB3 . 50983 1 205 . 1 . 1 22 22 PRO HG2 H 1 1.8723 0.0000 . 2 . . . . . 22 PRO HG2 . 50983 1 206 . 1 . 1 22 22 PRO HD2 H 1 3.6687 0.0000 . 2 . . . . . 22 PRO HD2 . 50983 1 207 . 1 . 1 22 22 PRO HD3 H 1 3.5756 0.0000 . 2 . . . . . 22 PRO HD3 . 50983 1 208 . 1 . 1 22 22 PRO CB C 13 29.3115 0.0000 . 1 . . . . . 22 PRO CB . 50983 1 209 . 1 . 1 22 22 PRO CG C 13 27.0813 0.0000 . 1 . . . . . 22 PRO CG . 50983 1 210 . 1 . 1 22 22 PRO CD C 13 50.1467 0.0000 . 1 . . . . . 22 PRO CD . 50983 1 211 . 1 . 1 23 23 PRO HA H 1 4.3589 0.0000 . 1 . . . . . 23 PRO HA . 50983 1 212 . 1 . 1 23 23 PRO HB2 H 1 2.1881 0.0000 . 2 . . . . . 23 PRO HB2 . 50983 1 213 . 1 . 1 23 23 PRO HB3 H 1 1.9379 0.0000 . 2 . . . . . 23 PRO HB3 . 50983 1 214 . 1 . 1 23 23 PRO HG2 H 1 1.8637 0.0000 . 2 . . . . . 23 PRO HG2 . 50983 1 215 . 1 . 1 23 23 PRO HD2 H 1 3.4551 0.0000 . 2 . . . . . 23 PRO HD2 . 50983 1 216 . 1 . 1 23 23 PRO HD3 H 1 3.2813 0.0000 . 2 . . . . . 23 PRO HD3 . 50983 1 217 . 1 . 1 23 23 PRO CA C 13 62.9097 0.0000 . 1 . . . . . 23 PRO CA . 50983 1 218 . 1 . 1 23 23 PRO CB C 13 31.9749 0.0000 . 1 . . . . . 23 PRO CB . 50983 1 219 . 1 . 1 23 23 PRO CG C 13 27.0813 0.0000 . 1 . . . . . 23 PRO CG . 50983 1 220 . 1 . 1 23 23 PRO CD C 13 50.1691 0.0000 . 1 . . . . . 23 PRO CD . 50983 1 221 . 1 . 1 24 24 LYS H H 1 7.8120 0.0000 . 1 . . . . . 24 LYS H . 50983 1 222 . 1 . 1 24 24 LYS HA H 1 4.1236 0.0000 . 1 . . . . . 24 LYS HA . 50983 1 223 . 1 . 1 24 24 LYS HB2 H 1 1.7592 0.0000 . 2 . . . . . 24 LYS HB2 . 50983 1 224 . 1 . 1 24 24 LYS HB3 H 1 1.6664 0.0000 . 2 . . . . . 24 LYS HB3 . 50983 1 225 . 1 . 1 24 24 LYS HG2 H 1 1.3760 0.0000 . 2 . . . . . 24 LYS HG2 . 50983 1 226 . 1 . 1 24 24 LYS HD2 H 1 1.6617 0.0000 . 2 . . . . . 24 LYS HD2 . 50983 1 227 . 1 . 1 24 24 LYS HE2 H 1 2.9679 0.0000 . 2 . . . . . 24 LYS HE2 . 50983 1 228 . 1 . 1 24 24 LYS CA C 13 57.6543 0.0000 . 1 . . . . . 24 LYS CA . 50983 1 229 . 1 . 1 24 24 LYS CB C 13 33.8869 0.0000 . 1 . . . . . 24 LYS CB . 50983 1 230 . 1 . 1 24 24 LYS CG C 13 24.7781 0.0000 . 1 . . . . . 24 LYS CG . 50983 1 231 . 1 . 1 24 24 LYS CD C 13 29.3486 0.0000 . 1 . . . . . 24 LYS CD . 50983 1 232 . 1 . 1 24 24 LYS CE C 13 42.1654 0.0000 . 1 . . . . . 24 LYS CE . 50983 1 stop_ save_