################################### # 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 31013 _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 HNCO' . . . 31013 1 2 '3D HNCA' . . . 31013 1 3 '3D HNCACB' . . . 31013 1 4 '3D CBCA(CO)NH' . . . 31013 1 5 '2D 1H-13C HSQC aliphatic' . . . 31013 1 6 '2D 1H-13C HSQC aromatic' . . . 31013 1 7 '3D C(CO)NH' . . . 31013 1 8 '3D H(CCO)NH' . . . 31013 1 9 '3D 1H-13C NOESY' . . . 31013 1 10 '3D 1H-15N NOESY' . . . 31013 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all 1H' 1 -0.0875 0.01 31013 1 'TROSY offset' 'all 15N' 15 0.4 0.04 31013 1 'TROSY offset' 'all 13C' 13 0.4 0.04 31013 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 5 5 ALA HA H 1 4.2797 0.0000 . 1 . . . . A 5 ALA HA . 31013 1 2 . 1 . 1 5 5 ALA HB1 H 1 1.3909 0.0000 . 1 . . . . A 5 ALA HB1 . 31013 1 3 . 1 . 1 5 5 ALA HB2 H 1 1.3909 0.0000 . 1 . . . . A 5 ALA HB2 . 31013 1 4 . 1 . 1 5 5 ALA HB3 H 1 1.3909 0.0000 . 1 . . . . A 5 ALA HB3 . 31013 1 5 . 1 . 1 5 5 ALA CA C 13 52.4611 0.0000 . 1 . . 4643 . A 5 ALA CA . 31013 1 6 . 1 . 1 5 5 ALA CB C 13 19.2055 0.0000 . 1 . . 4667 . A 5 ALA CB . 31013 1 7 . 1 . 1 6 6 LEU H H 1 8.0243 0.0000 . 1 . . 5242 . A 6 LEU H . 31013 1 8 . 1 . 1 6 6 LEU HA H 1 4.2914 0.0000 . 1 . . . . A 6 LEU HA . 31013 1 9 . 1 . 1 6 6 LEU HB2 H 1 1.6697 0.0000 . 2 . . . . A 6 LEU HB2 . 31013 1 10 . 1 . 1 6 6 LEU HB3 H 1 1.5864 0.0000 . 2 . . . . A 6 LEU HB3 . 31013 1 11 . 1 . 1 6 6 LEU HG H 1 1.5992 0.0000 . 1 . . . . A 6 LEU HG . 31013 1 12 . 1 . 1 6 6 LEU HD11 H 1 1.3218 0.0000 . 2 . . . . A 6 LEU HD11 . 31013 1 13 . 1 . 1 6 6 LEU HD12 H 1 1.3218 0.0000 . 2 . . . . A 6 LEU HD12 . 31013 1 14 . 1 . 1 6 6 LEU HD13 H 1 1.3218 0.0000 . 2 . . . . A 6 LEU HD13 . 31013 1 15 . 1 . 1 6 6 LEU CA C 13 55.1427 0.0000 . 1 . . 5240 . A 6 LEU CA . 31013 1 16 . 1 . 1 6 6 LEU CB C 13 42.3068 0.0000 . 1 . . 9543 . A 6 LEU CB . 31013 1 17 . 1 . 1 6 6 LEU CG C 13 26.8990 0.0000 . 1 . . . . A 6 LEU CG . 31013 1 18 . 1 . 1 6 6 LEU CD1 C 13 24.8718 0.0000 . 2 . . . . A 6 LEU CD1 . 31013 1 19 . 1 . 1 6 6 LEU N N 15 121.8867 0.0000 . 1 . . 5244 . A 6 LEU N . 31013 1 20 . 1 . 1 7 7 ALA H H 1 8.1101 0.0000 . 1 . . 5161 . A 7 ALA H . 31013 1 21 . 1 . 1 7 7 ALA HA H 1 4.2202 0.0000 . 1 . . . . A 7 ALA HA . 31013 1 22 . 1 . 1 7 7 ALA HB1 H 1 1.4697 0.0000 . 1 . . . . A 7 ALA HB1 . 31013 1 23 . 1 . 1 7 7 ALA HB2 H 1 1.4697 0.0000 . 1 . . . . A 7 ALA HB2 . 31013 1 24 . 1 . 1 7 7 ALA HB3 H 1 1.4697 0.0000 . 1 . . . . A 7 ALA HB3 . 31013 1 25 . 1 . 1 7 7 ALA CA C 13 52.4967 0.0000 . 1 . . 14214 . A 7 ALA CA . 31013 1 26 . 1 . 1 7 7 ALA CB C 13 19.1913 0.0000 . 1 . . 7446 . A 7 ALA CB . 31013 1 27 . 1 . 1 7 7 ALA N N 15 125.0569 0.0000 . 1 . . 5163 . A 7 ALA N . 31013 1 28 . 1 . 1 8 8 LYS H H 1 8.2400 0.0000 . 1 . . . . A 8 LYS H . 31013 1 29 . 1 . 1 8 8 LYS HA H 1 4.3066 0.0000 . 1 . . . . A 8 LYS HA . 31013 1 30 . 1 . 1 8 8 LYS HB2 H 1 1.7492 0.0000 . 2 . . . . A 8 LYS HB2 . 31013 1 31 . 1 . 1 8 8 LYS HB3 H 1 1.8240 0.0000 . 2 . . . . A 8 LYS HB3 . 31013 1 32 . 1 . 1 8 8 LYS HG2 H 1 1.4075 0.0000 . 2 . . . . A 8 LYS HG2 . 31013 1 33 . 1 . 1 8 8 LYS HE2 H 1 3.1854 0.0000 . 2 . . . . A 8 LYS HE2 . 31013 1 34 . 1 . 1 8 8 LYS CA C 13 56.2555 0.0000 . 1 . . 5228 . A 8 LYS CA . 31013 1 35 . 1 . 1 8 8 LYS CB C 13 32.9965 0.0000 . 1 . . 4625 . A 8 LYS CB . 31013 1 36 . 1 . 1 8 8 LYS CG C 13 24.6955 0.0000 . 1 . . . . A 8 LYS CG . 31013 1 37 . 1 . 1 8 8 LYS CE C 13 43.4081 0.0000 . 1 . . . . A 8 LYS CE . 31013 1 38 . 1 . 1 8 8 LYS N N 15 122.0847 0.0000 . 1 . . . . A 8 LYS N . 31013 1 39 . 1 . 1 9 9 ILE H H 1 7.9726 0.0000 . 1 . . 5227 . A 9 ILE H . 31013 1 40 . 1 . 1 9 9 ILE HA H 1 4.1753 0.0000 . 1 . . . . A 9 ILE HA . 31013 1 41 . 1 . 1 9 9 ILE HB H 1 1.8292 0.0000 . 1 . . . . A 9 ILE HB . 31013 1 42 . 1 . 1 9 9 ILE HG12 H 1 1.2046 0.0000 . 2 . . . . A 9 ILE HG12 . 31013 1 43 . 1 . 1 9 9 ILE HG13 H 1 1.4849 0.0000 . 2 . . . . A 9 ILE HG13 . 31013 1 44 . 1 . 1 9 9 ILE HD11 H 1 0.8763 0.0000 . 1 . . . . A 9 ILE HD11 . 31013 1 45 . 1 . 1 9 9 ILE HD12 H 1 0.8763 0.0000 . 1 . . . . A 9 ILE HD12 . 31013 1 46 . 1 . 1 9 9 ILE HD13 H 1 0.8763 0.0000 . 1 . . . . A 9 ILE HD13 . 31013 1 47 . 1 . 1 9 9 ILE CA C 13 60.4261 0.0000 . 1 . . 8714 . A 9 ILE CA . 31013 1 48 . 1 . 1 9 9 ILE CB C 13 38.8992 0.0000 . 1 . . 8699 . A 9 ILE CB . 31013 1 49 . 1 . 1 9 9 ILE CG1 C 13 27.2588 0.0000 . 1 . . . . A 9 ILE CG1 . 31013 1 50 . 1 . 1 9 9 ILE CG2 C 13 17.3870 0.0000 . 1 . . . . A 9 ILE CG2 . 31013 1 51 . 1 . 1 9 9 ILE CD1 C 13 17.3870 0.0000 . 1 . . . . A 9 ILE CD1 . 31013 1 52 . 1 . 1 9 9 ILE N N 15 122.0635 0.0000 . 1 . . 5229 . A 9 ILE N . 31013 1 53 . 1 . 1 10 10 ASP CA C 13 52.3140 0.0000 . 1 . . . . A 10 ASP CA . 31013 1 54 . 1 . 1 10 10 ASP CB C 13 41.1597 0.0000 . 1 . . . . A 10 ASP CB . 31013 1 55 . 1 . 1 11 11 PRO HA H 1 4.4109 0.0000 . 1 . . . . A 11 PRO HA . 31013 1 56 . 1 . 1 11 11 PRO HB2 H 1 2.2745 0.0000 . 2 . . . . A 11 PRO HB2 . 31013 1 57 . 1 . 1 11 11 PRO HB3 H 1 2.0008 0.0000 . 2 . . . . A 11 PRO HB3 . 31013 1 58 . 1 . 1 11 11 PRO HG2 H 1 1.8154 0.0000 . 2 . . . . A 11 PRO HG2 . 31013 1 59 . 1 . 1 11 11 PRO HD2 H 1 3.5987 0.0000 . 2 . . . . A 11 PRO HD2 . 31013 1 60 . 1 . 1 11 11 PRO HD3 H 1 3.7665 0.0000 . 2 . . . . A 11 PRO HD3 . 31013 1 61 . 1 . 1 11 11 PRO CA C 13 62.9500 0.0000 . 1 . . 11924 . A 11 PRO CA . 31013 1 62 . 1 . 1 11 11 PRO CB C 13 32.0623 0.0000 . 1 . . 11927 . A 11 PRO CB . 31013 1 63 . 1 . 1 11 11 PRO CG C 13 27.1635 0.0000 . 1 . . . . A 11 PRO CG . 31013 1 64 . 1 . 1 11 11 PRO CD C 13 50.3446 0.0000 . 1 . . . . A 11 PRO CD . 31013 1 65 . 1 . 1 12 12 GLU H H 1 8.3613 0.0000 . 1 . . 11917 . A 12 GLU H . 31013 1 66 . 1 . 1 12 12 GLU HA H 1 4.0401 0.0000 . 1 . . . . A 12 GLU HA . 31013 1 67 . 1 . 1 12 12 GLU HB2 H 1 2.0270 0.0000 . 2 . . . . A 12 GLU HB2 . 31013 1 68 . 1 . 1 12 12 GLU HG2 H 1 2.3230 0.0000 . 2 . . . . A 12 GLU HG2 . 31013 1 69 . 1 . 1 12 12 GLU CA C 13 59.3232 0.0000 . 1 . . 11918 . A 12 GLU CA . 31013 1 70 . 1 . 1 12 12 GLU CB C 13 29.2413 0.0000 . 1 . . 11963 . A 12 GLU CB . 31013 1 71 . 1 . 1 12 12 GLU CG C 13 37.0353 0.0000 . 1 . . . . A 12 GLU CG . 31013 1 72 . 1 . 1 12 12 GLU N N 15 119.7661 0.0000 . 1 . . 11919 . A 12 GLU N . 31013 1 73 . 1 . 1 13 13 LEU H H 1 7.5934 0.0000 . 1 . . 4546 . A 13 LEU H . 31013 1 74 . 1 . 1 13 13 LEU HA H 1 3.8710 0.0000 . 1 . . . . A 13 LEU HA . 31013 1 75 . 1 . 1 13 13 LEU HB2 H 1 1.8532 0.0000 . 2 . . . . A 13 LEU HB2 . 31013 1 76 . 1 . 1 13 13 LEU HB3 H 1 1.1391 0.0000 . 2 . . . . A 13 LEU HB3 . 31013 1 77 . 1 . 1 13 13 LEU HG H 1 1.5200 0.0000 . 1 . . . . A 13 LEU HG . 31013 1 78 . 1 . 1 13 13 LEU HD11 H 1 1.5810 0.0000 . 2 . . . . A 13 LEU HD11 . 31013 1 79 . 1 . 1 13 13 LEU HD12 H 1 1.5810 0.0000 . 2 . . . . A 13 LEU HD12 . 31013 1 80 . 1 . 1 13 13 LEU HD13 H 1 1.5810 0.0000 . 2 . . . . A 13 LEU HD13 . 31013 1 81 . 1 . 1 13 13 LEU HD21 H 1 1.3648 0.0000 . 2 . . . . A 13 LEU HD21 . 31013 1 82 . 1 . 1 13 13 LEU HD22 H 1 1.3648 0.0000 . 2 . . . . A 13 LEU HD22 . 31013 1 83 . 1 . 1 13 13 LEU HD23 H 1 1.3648 0.0000 . 2 . . . . A 13 LEU HD23 . 31013 1 84 . 1 . 1 13 13 LEU CA C 13 57.7289 0.0000 . 1 . . 5165 . A 13 LEU CA . 31013 1 85 . 1 . 1 13 13 LEU CB C 13 40.9132 0.0000 . 1 . . 7546 . A 13 LEU CB . 31013 1 86 . 1 . 1 13 13 LEU CG C 13 32.2160 0.0000 . 1 . . . . A 13 LEU CG . 31013 1 87 . 1 . 1 13 13 LEU CD1 C 13 24.9600 0.0000 . 2 . . . . A 13 LEU CD1 . 31013 1 88 . 1 . 1 13 13 LEU CD2 C 13 24.9600 0.0000 . 2 . . . . A 13 LEU CD2 . 31013 1 89 . 1 . 1 13 13 LEU N N 15 123.6965 0.0000 . 1 . . 4548 . A 13 LEU N . 31013 1 90 . 1 . 1 14 14 LYS H H 1 7.8806 0.0000 . 1 . . 5395 . A 14 LYS H . 31013 1 91 . 1 . 1 14 14 LYS HA H 1 3.8630 0.0000 . 1 . . . . A 14 LYS HA . 31013 1 92 . 1 . 1 14 14 LYS HB2 H 1 1.5877 0.0000 . 2 . . . . A 14 LYS HB2 . 31013 1 93 . 1 . 1 14 14 LYS HG2 H 1 1.3642 0.0000 . 2 . . . . A 14 LYS HG2 . 31013 1 94 . 1 . 1 14 14 LYS HG3 H 1 1.5207 0.0000 . 2 . . . . A 14 LYS HG3 . 31013 1 95 . 1 . 1 14 14 LYS HD2 H 1 1.6443 0.0000 . 2 . . . . A 14 LYS HD2 . 31013 1 96 . 1 . 1 14 14 LYS HE2 H 1 2.9437 0.0000 . 2 . . . . A 14 LYS HE2 . 31013 1 97 . 1 . 1 14 14 LYS CA C 13 60.0564 0.0000 . 1 . . 5390 . A 14 LYS CA . 31013 1 98 . 1 . 1 14 14 LYS CB C 13 32.5106 0.0000 . 1 . . 5396 . A 14 LYS CB . 31013 1 99 . 1 . 1 14 14 LYS CG C 13 25.0000 0.0000 . 1 . . . . A 14 LYS CG . 31013 1 100 . 1 . 1 14 14 LYS CD C 13 29.6412 0.0000 . 1 . . . . A 14 LYS CD . 31013 1 101 . 1 . 1 14 14 LYS CE C 13 40.8013 0.0000 . 1 . . . . A 14 LYS CE . 31013 1 102 . 1 . 1 14 14 LYS N N 15 119.3942 0.0000 . 1 . . 5397 . A 14 LYS N . 31013 1 103 . 1 . 1 15 15 GLN H H 1 7.8870 0.0000 . 1 . . 5392 . A 15 GLN H . 31013 1 104 . 1 . 1 15 15 GLN HA H 1 4.2153 0.0000 . 1 . . . . A 15 GLN HA . 31013 1 105 . 1 . 1 15 15 GLN HB2 H 1 2.1500 0.0000 . 2 . . . . A 15 GLN HB2 . 31013 1 106 . 1 . 1 15 15 GLN HG2 H 1 2.4858 0.0000 . 2 . . . . A 15 GLN HG2 . 31013 1 107 . 1 . 1 15 15 GLN CA C 13 58.5751 0.0000 . 1 . . 5393 . A 15 GLN CA . 31013 1 108 . 1 . 1 15 15 GLN CB C 13 28.0750 0.0000 . 1 . . 5399 . A 15 GLN CB . 31013 1 109 . 1 . 1 15 15 GLN CG C 13 33.3333 0.0000 . 1 . . . . A 15 GLN CG . 31013 1 110 . 1 . 1 15 15 GLN N N 15 119.5389 0.0000 . 1 . . 5394 . A 15 GLN N . 31013 1 111 . 1 . 1 16 16 CYS H H 1 8.0453 0.0000 . 1 . . 4693 . A 16 CYS H . 31013 1 112 . 1 . 1 16 16 CYS HB2 H 1 3.2464 0.0000 . 2 . . . . A 16 CYS HB2 . 31013 1 113 . 1 . 1 16 16 CYS HB3 H 1 3.5347 0.0000 . 2 . . . . A 16 CYS HB3 . 31013 1 114 . 1 . 1 16 16 CYS CA C 13 60.7433 0.0000 . 1 . . 9724 . A 16 CYS CA . 31013 1 115 . 1 . 1 16 16 CYS CB C 13 36.8914 0.0000 . 1 . . 5276 . A 16 CYS CB . 31013 1 116 . 1 . 1 16 16 CYS N N 15 121.5511 0.0000 . 1 . . 4695 . A 16 CYS N . 31013 1 117 . 1 . 1 17 17 LYS H H 1 8.2590 0.0000 . 1 . . 12824 . A 17 LYS H . 31013 1 118 . 1 . 1 17 17 LYS HA H 1 3.7665 0.0000 . 1 . . . . A 17 LYS HA . 31013 1 119 . 1 . 1 17 17 LYS HB2 H 1 1.9302 0.0000 . 2 . . . . A 17 LYS HB2 . 31013 1 120 . 1 . 1 17 17 LYS HG2 H 1 1.3963 0.0000 . 2 . . . . A 17 LYS HG2 . 31013 1 121 . 1 . 1 17 17 LYS HD2 H 1 1.7825 0.0000 . 2 . . . . A 17 LYS HD2 . 31013 1 122 . 1 . 1 17 17 LYS HE2 H 1 2.8535 0.0000 . 2 . . . . A 17 LYS HE2 . 31013 1 123 . 1 . 1 17 17 LYS CA C 13 60.9310 0.0000 . 1 . . 12825 . A 17 LYS CA . 31013 1 124 . 1 . 1 17 17 LYS CB C 13 32.3364 0.0000 . 1 . . 12828 . A 17 LYS CB . 31013 1 125 . 1 . 1 17 17 LYS CG C 13 24.7682 0.0000 . 1 . . . . A 17 LYS CG . 31013 1 126 . 1 . 1 17 17 LYS CD C 13 30.1280 0.0000 . 1 . . . . A 17 LYS CD . 31013 1 127 . 1 . 1 17 17 LYS CE C 13 41.5304 0.0000 . 1 . . . . A 17 LYS CE . 31013 1 128 . 1 . 1 17 17 LYS N N 15 118.1891 0.0000 . 1 . . 12826 . A 17 LYS N . 31013 1 129 . 1 . 1 18 18 HIS H H 1 8.1528 0.0000 . 1 . . 5332 . A 18 HIS H . 31013 1 130 . 1 . 1 18 18 HIS HA H 1 4.2233 0.0000 . 1 . . . . A 18 HIS HA . 31013 1 131 . 1 . 1 18 18 HIS HB2 H 1 3.1962 0.0000 . 2 . . . . A 18 HIS HB2 . 31013 1 132 . 1 . 1 18 18 HIS HB3 H 1 3.2987 0.0000 . 2 . . . . A 18 HIS HB3 . 31013 1 133 . 1 . 1 18 18 HIS HD2 H 1 7.0158 0.0000 . 1 . . . . A 18 HIS HD2 . 31013 1 134 . 1 . 1 18 18 HIS CA C 13 60.2510 0.0000 . 1 . . 11250 . A 18 HIS CA . 31013 1 135 . 1 . 1 18 18 HIS CB C 13 30.2197 0.0000 . 1 . . 5333 . A 18 HIS CB . 31013 1 136 . 1 . 1 18 18 HIS CD2 C 13 119.3927 0.0000 . 1 . . . . A 18 HIS CD2 . 31013 1 137 . 1 . 1 18 18 HIS N N 15 120.6126 0.0000 . 1 . . 5334 . A 18 HIS N . 31013 1 138 . 1 . 1 19 19 GLN H H 1 8.1903 0.0000 . 1 . . 5428 . A 19 GLN H . 31013 1 139 . 1 . 1 19 19 GLN HA H 1 3.9671 0.0000 . 1 . . . . A 19 GLN HA . 31013 1 140 . 1 . 1 19 19 GLN HB2 H 1 2.1815 0.0000 . 2 . . . . A 19 GLN HB2 . 31013 1 141 . 1 . 1 19 19 GLN HB3 H 1 2.3416 0.0000 . 2 . . . . A 19 GLN HB3 . 31013 1 142 . 1 . 1 19 19 GLN HG2 H 1 2.5680 0.0000 . 2 . . . . A 19 GLN HG2 . 31013 1 143 . 1 . 1 19 19 GLN HG3 H 1 2.5204 0.0000 . 2 . . . . A 19 GLN HG3 . 31013 1 144 . 1 . 1 19 19 GLN CA C 13 58.5386 0.0000 . 1 . . 5423 . A 19 GLN CA . 31013 1 145 . 1 . 1 19 19 GLN CB C 13 27.8445 0.0000 . 1 . . 5429 . A 19 GLN CB . 31013 1 146 . 1 . 1 19 19 GLN CG C 13 34.3386 0.0000 . 1 . . . . A 19 GLN CG . 31013 1 147 . 1 . 1 19 19 GLN N N 15 117.0272 0.0000 . 1 . . 5430 . A 19 GLN N . 31013 1 148 . 1 . 1 20 20 CYS H H 1 7.6545 0.0000 . 1 . . 6349 . A 20 CYS H . 31013 1 149 . 1 . 1 20 20 CYS HA H 1 4.4715 0.0000 . 1 . . . . A 20 CYS HA . 31013 1 150 . 1 . 1 20 20 CYS HB2 H 1 3.0943 0.0000 . 2 . . . . A 20 CYS HB2 . 31013 1 151 . 1 . 1 20 20 CYS HB3 H 1 3.4066 0.0000 . 2 . . . . A 20 CYS HB3 . 31013 1 152 . 1 . 1 20 20 CYS CA C 13 57.2238 0.0000 . 1 . . 5432 . A 20 CYS CA . 31013 1 153 . 1 . 1 20 20 CYS CB C 13 37.6706 0.0000 . 1 . . 5435 . A 20 CYS CB . 31013 1 154 . 1 . 1 20 20 CYS N N 15 116.6675 0.0000 . 1 . . 6351 . A 20 CYS N . 31013 1 155 . 1 . 1 21 21 LYS H H 1 7.4206 0.0000 . 1 . . 13188 . A 21 LYS H . 31013 1 156 . 1 . 1 21 21 LYS HA H 1 3.9240 0.0000 . 1 . . . . A 21 LYS HA . 31013 1 157 . 1 . 1 21 21 LYS HB2 H 1 1.9366 0.0000 . 2 . . . . A 21 LYS HB2 . 31013 1 158 . 1 . 1 21 21 LYS HB3 H 1 1.8507 0.0000 . 2 . . . . A 21 LYS HB3 . 31013 1 159 . 1 . 1 21 21 LYS HG2 H 1 1.3850 0.0000 . 2 . . . . A 21 LYS HG2 . 31013 1 160 . 1 . 1 21 21 LYS HD2 H 1 1.7121 0.0000 . 2 . . . . A 21 LYS HD2 . 31013 1 161 . 1 . 1 21 21 LYS CA C 13 58.7727 0.0000 . 1 . . 13189 . A 21 LYS CA . 31013 1 162 . 1 . 1 21 21 LYS CB C 13 32.5025 0.0000 . 1 . . 13192 . A 21 LYS CB . 31013 1 163 . 1 . 1 21 21 LYS CG C 13 24.7000 0.0000 . 1 . . . . A 21 LYS CG . 31013 1 164 . 1 . 1 21 21 LYS CD C 13 31.3168 0.0000 . 1 . . . . A 21 LYS CD . 31013 1 165 . 1 . 1 21 21 LYS N N 15 116.5381 0.0000 . 1 . . 13190 . A 21 LYS N . 31013 1 166 . 1 . 1 22 22 VAL H H 1 7.4293 0.0000 . 1 . . . . A 22 VAL H . 31013 1 167 . 1 . 1 22 22 VAL HA H 1 4.2914 0.0000 . 1 . . . . A 22 VAL HA . 31013 1 168 . 1 . 1 22 22 VAL HB H 1 2.2670 0.0000 . 1 . . . . A 22 VAL HB . 31013 1 169 . 1 . 1 22 22 VAL HG11 H 1 0.7528 0.0000 . 2 . . . . A 22 VAL HG11 . 31013 1 170 . 1 . 1 22 22 VAL HG12 H 1 0.7528 0.0000 . 2 . . . . A 22 VAL HG12 . 31013 1 171 . 1 . 1 22 22 VAL HG13 H 1 0.7528 0.0000 . 2 . . . . A 22 VAL HG13 . 31013 1 172 . 1 . 1 22 22 VAL HG21 H 1 0.7022 0.0000 . 2 . . . . A 22 VAL HG21 . 31013 1 173 . 1 . 1 22 22 VAL HG22 H 1 0.7022 0.0000 . 2 . . . . A 22 VAL HG22 . 31013 1 174 . 1 . 1 22 22 VAL HG23 H 1 0.7022 0.0000 . 2 . . . . A 22 VAL HG23 . 31013 1 175 . 1 . 1 22 22 VAL CA C 13 61.4286 0.0000 . 1 . . . . A 22 VAL CA . 31013 1 176 . 1 . 1 22 22 VAL CB C 13 31.4077 0.0000 . 1 . . . . A 22 VAL CB . 31013 1 177 . 1 . 1 22 22 VAL CG1 C 13 20.7292 0.0000 . 2 . . . . A 22 VAL CG1 . 31013 1 178 . 1 . 1 22 22 VAL CG2 C 13 20.7292 0.0000 . 2 . . . . A 22 VAL CG2 . 31013 1 179 . 1 . 1 23 23 GLN H H 1 6.9766 0.0000 . 1 . . . . A 23 GLN H . 31013 1 180 . 1 . 1 23 23 GLN C C 13 176.4628 0.0000 . 1 . . . . A 23 GLN C . 31013 1 181 . 1 . 1 23 23 GLN CA C 13 55.8834 0.0000 . 1 . . . . A 23 GLN CA . 31013 1 182 . 1 . 1 23 23 GLN CB C 13 27.7746 0.0000 . 1 . . . . A 23 GLN CB . 31013 1 183 . 1 . 1 23 23 GLN N N 15 122.0000 0.0000 . 1 . . . . A 23 GLN N . 31013 1 184 . 1 . 1 25 25 GLN HA H 1 4.2794 0.0000 . 1 . . . . A 25 GLN HA . 31013 1 185 . 1 . 1 25 25 GLN HB2 H 1 2.2135 0.0000 . 2 . . . . A 25 GLN HB2 . 31013 1 186 . 1 . 1 25 25 GLN HB3 H 1 2.3096 0.0000 . 2 . . . . A 25 GLN HB3 . 31013 1 187 . 1 . 1 25 25 GLN HG2 H 1 2.3096 0.0000 . 2 . . . . A 25 GLN HG2 . 31013 1 188 . 1 . 1 25 25 GLN CA C 13 56.3133 0.0000 . 1 . . 4841 . A 25 GLN CA . 31013 1 189 . 1 . 1 25 25 GLN CB C 13 28.1036 0.0000 . 1 . . 15876 . A 25 GLN CB . 31013 1 190 . 1 . 1 25 25 GLN CG C 13 33.6860 0.0000 . 1 . . . . A 25 GLN CG . 31013 1 191 . 1 . 1 26 26 TYR H H 1 7.1647 0.0000 . 1 . . 5773 . A 26 TYR H . 31013 1 192 . 1 . 1 26 26 TYR HA H 1 4.6015 0.0000 . 1 . . . . A 26 TYR HA . 31013 1 193 . 1 . 1 26 26 TYR HB2 H 1 3.1023 0.0000 . 2 . . . . A 26 TYR HB2 . 31013 1 194 . 1 . 1 26 26 TYR HB3 H 1 3.2945 0.0000 . 2 . . . . A 26 TYR HB3 . 31013 1 195 . 1 . 1 26 26 TYR HD1 H 1 7.2440 0.0000 . 3 . . . . A 26 TYR HD1 . 31013 1 196 . 1 . 1 26 26 TYR HE1 H 1 6.9426 0.0000 . 3 . . . . A 26 TYR HE1 . 31013 1 197 . 1 . 1 26 26 TYR CA C 13 53.8400 0.0000 . 1 . . . . A 26 TYR CA . 31013 1 198 . 1 . 1 26 26 TYR CB C 13 39.4059 0.0000 . 1 . . 5354 . A 26 TYR CB . 31013 1 199 . 1 . 1 26 26 TYR CD1 C 13 132.0020 0.0000 . 3 . . . . A 26 TYR CD1 . 31013 1 200 . 1 . 1 26 26 TYR CE1 C 13 118.1715 0.0000 . 3 . . . . A 26 TYR CE1 . 31013 1 201 . 1 . 1 26 26 TYR N N 15 119.8493 0.0000 . 1 . . 5775 . A 26 TYR N . 31013 1 202 . 1 . 1 27 27 ASP H H 1 8.5025 0.0000 . 1 . . 4603 . A 27 ASP H . 31013 1 203 . 1 . 1 27 27 ASP HB2 H 1 2.7940 0.0000 . 2 . . . . A 27 ASP HB2 . 31013 1 204 . 1 . 1 27 27 ASP HB3 H 1 3.2103 0.0000 . 2 . . . . A 27 ASP HB3 . 31013 1 205 . 1 . 1 27 27 ASP CA C 13 52.3448 0.0000 . 1 . . 5207 . A 27 ASP CA . 31013 1 206 . 1 . 1 27 27 ASP CB C 13 40.8533 0.0000 . 1 . . 5210 . A 27 ASP CB . 31013 1 207 . 1 . 1 27 27 ASP N N 15 122.5724 0.0000 . 1 . . 4605 . A 27 ASP N . 31013 1 208 . 1 . 1 28 28 GLU H H 1 8.4766 0.0000 . 1 . . 5842 . A 28 GLU H . 31013 1 209 . 1 . 1 28 28 GLU HA H 1 3.9431 0.0000 . 1 . . . . A 28 GLU HA . 31013 1 210 . 1 . 1 28 28 GLU HB2 H 1 2.0854 0.0000 . 2 . . . . A 28 GLU HB2 . 31013 1 211 . 1 . 1 28 28 GLU HG2 H 1 2.4137 0.0000 . 2 . . . . A 28 GLU HG2 . 31013 1 212 . 1 . 1 28 28 GLU CA C 13 60.2603 0.0000 . 1 . . 5414 . A 28 GLU CA . 31013 1 213 . 1 . 1 28 28 GLU CB C 13 29.3695 0.0000 . 1 . . 12917 . A 28 GLU CB . 31013 1 214 . 1 . 1 28 28 GLU CG C 13 36.1538 0.0000 . 1 . . . . A 28 GLU CG . 31013 1 215 . 1 . 1 28 28 GLU N N 15 118.1391 0.0000 . 1 . . 5844 . A 28 GLU N . 31013 1 216 . 1 . 1 29 29 GLN H H 1 8.0536 0.0000 . 1 . . 11525 . A 29 GLN H . 31013 1 217 . 1 . 1 29 29 GLN HA H 1 4.1352 0.0000 . 1 . . . . A 29 GLN HA . 31013 1 218 . 1 . 1 29 29 GLN HB2 H 1 2.1655 0.0000 . 2 . . . . A 29 GLN HB2 . 31013 1 219 . 1 . 1 29 29 GLN HG2 H 1 2.4217 0.0000 . 2 . . . . A 29 GLN HG2 . 31013 1 220 . 1 . 1 29 29 GLN CA C 13 59.2600 0.0000 . 1 . . 11529 . A 29 GLN CA . 31013 1 221 . 1 . 1 29 29 GLN CB C 13 28.0533 0.0000 . 1 . . 11535 . A 29 GLN CB . 31013 1 222 . 1 . 1 29 29 GLN CG C 13 34.3910 0.0000 . 1 . . . . A 29 GLN CG . 31013 1 223 . 1 . 1 29 29 GLN N N 15 120.2278 0.0000 . 1 . . 11527 . A 29 GLN N . 31013 1 224 . 1 . 1 30 30 GLN H H 1 8.7332 0.0000 . 1 . . 9200 . A 30 GLN H . 31013 1 225 . 1 . 1 30 30 GLN HA H 1 3.8710 0.0000 . 1 . . . . A 30 GLN HA . 31013 1 226 . 1 . 1 30 30 GLN HB2 H 1 2.0934 0.0000 . 2 . . . . A 30 GLN HB2 . 31013 1 227 . 1 . 1 30 30 GLN HG2 H 1 2.5330 0.0000 . 2 . . . . A 30 GLN HG2 . 31013 1 228 . 1 . 1 30 30 GLN CA C 13 58.8312 0.0000 . 1 . . 9462 . A 30 GLN CA . 31013 1 229 . 1 . 1 30 30 GLN CB C 13 28.2165 0.0000 . 1 . . 9204 . A 30 GLN CB . 31013 1 230 . 1 . 1 30 30 GLN CG C 13 34.4790 0.0000 . 1 . . . . A 30 GLN CG . 31013 1 231 . 1 . 1 30 30 GLN N N 15 122.0184 0.0000 . 1 . . 9202 . A 30 GLN N . 31013 1 232 . 1 . 1 31 31 LYS H H 1 8.5266 0.0000 . 1 . . 9323 . A 31 LYS H . 31013 1 233 . 1 . 1 31 31 LYS HA H 1 3.8630 0.0000 . 1 . . . . A 31 LYS HA . 31013 1 234 . 1 . 1 31 31 LYS HB2 H 1 1.8359 0.0000 . 2 . . . . A 31 LYS HB2 . 31013 1 235 . 1 . 1 31 31 LYS HG2 H 1 1.6850 0.0000 . 2 . . . . A 31 LYS HG2 . 31013 1 236 . 1 . 1 31 31 LYS HD2 H 1 1.6376 0.0000 . 2 . . . . A 31 LYS HD2 . 31013 1 237 . 1 . 1 31 31 LYS HE2 H 1 3.0000 0.0000 . 2 . . . . A 31 LYS HE2 . 31013 1 238 . 1 . 1 31 31 LYS CA C 13 61.3870 0.0000 . 1 . . 15913 . A 31 LYS CA . 31013 1 239 . 1 . 1 31 31 LYS CB C 13 32.7608 0.0000 . 1 . . 15917 . A 31 LYS CB . 31013 1 240 . 1 . 1 31 31 LYS CG C 13 27.1413 0.0000 . 1 . . . . A 31 LYS CG . 31013 1 241 . 1 . 1 31 31 LYS CD C 13 27.1413 0.0000 . 1 . . . . A 31 LYS CD . 31013 1 242 . 1 . 1 31 31 LYS CE C 13 42.2360 0.0000 . 1 . . . . A 31 LYS CE . 31013 1 243 . 1 . 1 31 31 LYS N N 15 121.9728 0.0000 . 1 . . 9325 . A 31 LYS N . 31013 1 244 . 1 . 1 32 32 GLU H H 1 7.8043 0.0000 . 1 . . 5359 . A 32 GLU H . 31013 1 245 . 1 . 1 32 32 GLU HA H 1 4.0872 0.0000 . 1 . . . . A 32 GLU HA . 31013 1 246 . 1 . 1 32 32 GLU HB2 H 1 2.1895 0.0000 . 2 . . . . A 32 GLU HB2 . 31013 1 247 . 1 . 1 32 32 GLU HB3 H 1 2.2700 0.0000 . 2 . . . . A 32 GLU HB3 . 31013 1 248 . 1 . 1 32 32 GLU HG2 H 1 2.4057 0.0000 . 2 . . . . A 32 GLU HG2 . 31013 1 249 . 1 . 1 32 32 GLU HG3 H 1 2.2700 0.0000 . 2 . . . . A 32 GLU HG3 . 31013 1 250 . 1 . 1 32 32 GLU CA C 13 59.2812 0.0000 . 1 . . 5369 . A 32 GLU CA . 31013 1 251 . 1 . 1 32 32 GLU CB C 13 29.3781 0.0000 . 1 . . 5387 . A 32 GLU CB . 31013 1 252 . 1 . 1 32 32 GLU CG C 13 36.0657 0.0000 . 1 . . . . A 32 GLU CG . 31013 1 253 . 1 . 1 32 32 GLU N N 15 119.7047 0.0000 . 1 . . 5361 . A 32 GLU N . 31013 1 254 . 1 . 1 33 33 GLN H H 1 8.0738 0.0000 . 1 . . 5341 . A 33 GLN H . 31013 1 255 . 1 . 1 33 33 GLN HA H 1 3.9831 0.0000 . 1 . . . . A 33 GLN HA . 31013 1 256 . 1 . 1 33 33 GLN HB2 H 1 2.0854 0.0000 . 2 . . . . A 33 GLN HB2 . 31013 1 257 . 1 . 1 33 33 GLN HG2 H 1 2.4377 0.0000 . 2 . . . . A 33 GLN HG2 . 31013 1 258 . 1 . 1 33 33 GLN CA C 13 58.7425 0.0000 . 1 . . 5342 . A 33 GLN CA . 31013 1 259 . 1 . 1 33 33 GLN CB C 13 27.9097 0.0000 . 1 . . 11365 . A 33 GLN CB . 31013 1 260 . 1 . 1 33 33 GLN CG C 13 33.1570 0.0000 . 1 . . . . A 33 GLN CG . 31013 1 261 . 1 . 1 33 33 GLN N N 15 120.1675 0.0000 . 1 . . 5343 . A 33 GLN N . 31013 1 262 . 1 . 1 34 34 CYS H H 1 7.9139 0.0000 . 1 . . 10354 . A 34 CYS H . 31013 1 263 . 1 . 1 34 34 CYS HA H 1 4.2954 0.0000 . 1 . . . . A 34 CYS HA . 31013 1 264 . 1 . 1 34 34 CYS HB2 H 1 2.9181 0.0000 . 2 . . . . A 34 CYS HB2 . 31013 1 265 . 1 . 1 34 34 CYS HB3 H 1 3.7109 0.0000 . 2 . . . . A 34 CYS HB3 . 31013 1 266 . 1 . 1 34 34 CYS CA C 13 59.8629 0.0000 . 1 . . 10364 . A 34 CYS CA . 31013 1 267 . 1 . 1 34 34 CYS CB C 13 34.1071 0.0000 . 1 . . 10358 . A 34 CYS CB . 31013 1 268 . 1 . 1 34 34 CYS N N 15 120.9810 0.0000 . 1 . . 10356 . A 34 CYS N . 31013 1 269 . 1 . 1 35 35 VAL H H 1 8.2712 0.0000 . 1 . . 8004 . A 35 VAL H . 31013 1 270 . 1 . 1 35 35 VAL HA H 1 4.0391 0.0000 . 1 . . . . A 35 VAL HA . 31013 1 271 . 1 . 1 35 35 VAL HB H 1 2.2872 0.0000 . 1 . . . . A 35 VAL HB . 31013 1 272 . 1 . 1 35 35 VAL HG11 H 1 1.1026 0.0000 . 2 . . . . A 35 VAL HG11 . 31013 1 273 . 1 . 1 35 35 VAL HG12 H 1 1.1026 0.0000 . 2 . . . . A 35 VAL HG12 . 31013 1 274 . 1 . 1 35 35 VAL HG13 H 1 1.1026 0.0000 . 2 . . . . A 35 VAL HG13 . 31013 1 275 . 1 . 1 35 35 VAL HG21 H 1 0.9762 0.0000 . 2 . . . . A 35 VAL HG21 . 31013 1 276 . 1 . 1 35 35 VAL HG22 H 1 0.9762 0.0000 . 2 . . . . A 35 VAL HG22 . 31013 1 277 . 1 . 1 35 35 VAL HG23 H 1 0.9762 0.0000 . 2 . . . . A 35 VAL HG23 . 31013 1 278 . 1 . 1 35 35 VAL CA C 13 67.8229 0.0000 . 1 . . 8005 . A 35 VAL CA . 31013 1 279 . 1 . 1 35 35 VAL CB C 13 31.5197 0.0000 . 1 . . 8008 . A 35 VAL CB . 31013 1 280 . 1 . 1 35 35 VAL CG1 C 13 23.7900 0.0000 . 2 . . . . A 35 VAL CG1 . 31013 1 281 . 1 . 1 35 35 VAL CG2 C 13 21.8000 0.0000 . 2 . . . . A 35 VAL CG2 . 31013 1 282 . 1 . 1 35 35 VAL N N 15 122.7854 0.0000 . 1 . . 8006 . A 35 VAL N . 31013 1 283 . 1 . 1 36 36 LYS H H 1 8.0251 0.0000 . 1 . . 10663 . A 36 LYS H . 31013 1 284 . 1 . 1 36 36 LYS HA H 1 4.0872 0.0000 . 1 . . . . A 36 LYS HA . 31013 1 285 . 1 . 1 36 36 LYS HB2 H 1 2.0133 0.0000 . 2 . . . . A 36 LYS HB2 . 31013 1 286 . 1 . 1 36 36 LYS HB3 H 1 1.9493 0.0000 . 2 . . . . A 36 LYS HB3 . 31013 1 287 . 1 . 1 36 36 LYS HG2 H 1 1.4929 0.0000 . 2 . . . . A 36 LYS HG2 . 31013 1 288 . 1 . 1 36 36 LYS HD2 H 1 1.6770 0.0000 . 2 . . . . A 36 LYS HD2 . 31013 1 289 . 1 . 1 36 36 LYS HE2 H 1 3.0000 0.0000 . 2 . . . . A 36 LYS HE2 . 31013 1 290 . 1 . 1 36 36 LYS CA C 13 59.5832 0.0000 . 1 . . 10664 . A 36 LYS CA . 31013 1 291 . 1 . 1 36 36 LYS CB C 13 32.0569 0.0000 . 1 . . 10667 . A 36 LYS CB . 31013 1 292 . 1 . 1 36 36 LYS CG C 13 25.3300 0.0000 . 1 . . . . A 36 LYS CG . 31013 1 293 . 1 . 1 36 36 LYS CD C 13 30.6000 0.0000 . 1 . . . . A 36 LYS CD . 31013 1 294 . 1 . 1 36 36 LYS CE C 13 42.1474 0.0000 . 1 . . . . A 36 LYS CE . 31013 1 295 . 1 . 1 36 36 LYS N N 15 120.8344 0.0000 . 1 . . 10665 . A 36 LYS N . 31013 1 296 . 1 . 1 37 37 GLU H H 1 8.3255 0.0000 . 1 . . 9253 . A 37 GLU H . 31013 1 297 . 1 . 1 37 37 GLU HA H 1 4.1352 0.0000 . 1 . . . . A 37 GLU HA . 31013 1 298 . 1 . 1 37 37 GLU HB2 H 1 2.1815 0.0000 . 2 . . . . A 37 GLU HB2 . 31013 1 299 . 1 . 1 37 37 GLU HG2 H 1 2.4217 0.0000 . 2 . . . . A 37 GLU HG2 . 31013 1 300 . 1 . 1 37 37 GLU CA C 13 59.5921 0.0000 . 1 . . 9254 . A 37 GLU CA . 31013 1 301 . 1 . 1 37 37 GLU CB C 13 28.6856 0.0000 . 1 . . 9257 . A 37 GLU CB . 31013 1 302 . 1 . 1 37 37 GLU CG C 13 36.3141 0.0000 . 1 . . . . A 37 GLU CG . 31013 1 303 . 1 . 1 37 37 GLU N N 15 121.9681 0.0000 . 1 . . 9255 . A 37 GLU N . 31013 1 304 . 1 . 1 38 38 CYS H H 1 8.2890 0.0000 . 1 . . 5371 . A 38 CYS H . 31013 1 305 . 1 . 1 38 38 CYS HA H 1 4.5756 0.0000 . 1 . . . . A 38 CYS HA . 31013 1 306 . 1 . 1 38 38 CYS HB2 H 1 3.0302 0.0000 . 2 . . . . A 38 CYS HB2 . 31013 1 307 . 1 . 1 38 38 CYS HB3 H 1 3.6708 0.0000 . 2 . . . . A 38 CYS HB3 . 31013 1 308 . 1 . 1 38 38 CYS CA C 13 58.5899 0.0000 . 1 . . 5372 . A 38 CYS CA . 31013 1 309 . 1 . 1 38 38 CYS CB C 13 38.7359 0.0000 . 1 . . 5357 . A 38 CYS CB . 31013 1 310 . 1 . 1 38 38 CYS N N 15 119.7987 0.0000 . 1 . . 5373 . A 38 CYS N . 31013 1 311 . 1 . 1 39 39 GLU H H 1 8.0459 0.0000 . 1 . . 5404 . A 39 GLU H . 31013 1 312 . 1 . 1 39 39 GLU HA H 1 4.0231 0.0000 . 1 . . . . A 39 GLU HA . 31013 1 313 . 1 . 1 39 39 GLU HB2 H 1 2.2536 0.0000 . 2 . . . . A 39 GLU HB2 . 31013 1 314 . 1 . 1 39 39 GLU HG2 H 1 2.5980 0.0000 . 2 . . . . A 39 GLU HG2 . 31013 1 315 . 1 . 1 39 39 GLU CA C 13 59.6087 0.0000 . 1 . . 5402 . A 39 GLU CA . 31013 1 316 . 1 . 1 39 39 GLU CB C 13 29.4173 0.0000 . 1 . . 5408 . A 39 GLU CB . 31013 1 317 . 1 . 1 39 39 GLU CG C 13 36.8750 0.0000 . 1 . . . . A 39 GLU CG . 31013 1 318 . 1 . 1 39 39 GLU N N 15 119.2344 0.0000 . 1 . . 5406 . A 39 GLU N . 31013 1 319 . 1 . 1 40 40 LYS H H 1 8.0792 0.0000 . 1 . . 10060 . A 40 LYS H . 31013 1 320 . 1 . 1 40 40 LYS HA H 1 4.0552 0.0000 . 1 . . . . A 40 LYS HA . 31013 1 321 . 1 . 1 40 40 LYS HB2 H 1 1.9173 0.0000 . 2 . . . . A 40 LYS HB2 . 31013 1 322 . 1 . 1 40 40 LYS HG2 H 1 1.2927 0.0000 . 2 . . . . A 40 LYS HG2 . 31013 1 323 . 1 . 1 40 40 LYS HD2 H 1 1.5207 0.0000 . 2 . . . . A 40 LYS HD2 . 31013 1 324 . 1 . 1 40 40 LYS HE2 H 1 3.0454 0.0000 . 2 . . . . A 40 LYS HE2 . 31013 1 325 . 1 . 1 40 40 LYS CA C 13 59.3910 0.0000 . 1 . . . . A 40 LYS CA . 31013 1 326 . 1 . 1 40 40 LYS CB C 13 32.9150 0.0000 . 1 . . 10064 . A 40 LYS CB . 31013 1 327 . 1 . 1 40 40 LYS CG C 13 24.6955 0.0000 . 1 . . . . A 40 LYS CG . 31013 1 328 . 1 . 1 40 40 LYS CD C 13 29.8200 0.0000 . 1 . . . . A 40 LYS CD . 31013 1 329 . 1 . 1 40 40 LYS CE C 13 41.8429 0.0000 . 1 . . . . A 40 LYS CE . 31013 1 330 . 1 . 1 40 40 LYS N N 15 120.9838 0.0000 . 1 . . 10062 . A 40 LYS N . 31013 1 331 . 1 . 1 41 41 TYR H H 1 8.2251 0.0000 . 1 . . 12104 . A 41 TYR H . 31013 1 332 . 1 . 1 41 41 TYR HA H 1 4.1757 0.0000 . 1 . . . . A 41 TYR HA . 31013 1 333 . 1 . 1 41 41 TYR HB2 H 1 3.0480 0.0000 . 2 . . . . A 41 TYR HB2 . 31013 1 334 . 1 . 1 41 41 TYR HB3 H 1 3.1002 0.0000 . 2 . . . . A 41 TYR HB3 . 31013 1 335 . 1 . 1 41 41 TYR HD1 H 1 6.6371 0.0000 . 3 . . . . A 41 TYR HD1 . 31013 1 336 . 1 . 1 41 41 TYR HE1 H 1 6.7972 0.0000 . 3 . . . . A 41 TYR HE1 . 31013 1 337 . 1 . 1 41 41 TYR CA C 13 61.0085 0.0000 . 1 . . 12105 . A 41 TYR CA . 31013 1 338 . 1 . 1 41 41 TYR CB C 13 38.3500 0.0000 . 1 . . 12114 . A 41 TYR CB . 31013 1 339 . 1 . 1 41 41 TYR CD1 C 13 133.2155 0.0000 . 3 . . . . A 41 TYR CD1 . 31013 1 340 . 1 . 1 41 41 TYR CE1 C 13 118.2396 0.0000 . 3 . . . . A 41 TYR CE1 . 31013 1 341 . 1 . 1 41 41 TYR N N 15 119.7047 0.0000 . 1 . . 12106 . A 41 TYR N . 31013 1 342 . 1 . 1 42 42 TYR H H 1 7.9963 0.0000 . 1 . . 5419 . A 42 TYR H . 31013 1 343 . 1 . 1 42 42 TYR HA H 1 3.9570 0.0000 . 1 . . . . A 42 TYR HA . 31013 1 344 . 1 . 1 42 42 TYR HB2 H 1 3.0331 0.0000 . 2 . . . . A 42 TYR HB2 . 31013 1 345 . 1 . 1 42 42 TYR HB3 H 1 3.2790 0.0000 . 2 . . . . A 42 TYR HB3 . 31013 1 346 . 1 . 1 42 42 TYR HD1 H 1 7.2109 0.0000 . 3 . . . . A 42 TYR HD1 . 31013 1 347 . 1 . 1 42 42 TYR HE1 H 1 6.9873 0.0000 . 3 . . . . A 42 TYR HE1 . 31013 1 348 . 1 . 1 42 42 TYR CA C 13 61.7480 0.0000 . 1 . . 5420 . A 42 TYR CA . 31013 1 349 . 1 . 1 42 42 TYR CB C 13 38.5979 0.0000 . 1 . . 5426 . A 42 TYR CB . 31013 1 350 . 1 . 1 42 42 TYR CG C 13 133.3167 0.0000 . 1 . . . . A 42 TYR CG . 31013 1 351 . 1 . 1 42 42 TYR CE1 C 13 118.5573 0.0000 . 3 . . . . A 42 TYR CE1 . 31013 1 352 . 1 . 1 42 42 TYR N N 15 117.1187 0.0000 . 1 . . 5421 . A 42 TYR N . 31013 1 353 . 1 . 1 43 43 LYS H H 1 7.9795 0.0000 . 1 . . 5674 . A 43 LYS H . 31013 1 354 . 1 . 1 43 43 LYS HA H 1 4.1060 0.0000 . 1 . . . . A 43 LYS HA . 31013 1 355 . 1 . 1 43 43 LYS HB2 H 1 1.9826 0.0000 . 2 . . . . A 43 LYS HB2 . 31013 1 356 . 1 . 1 43 43 LYS HG2 H 1 1.5207 0.0000 . 2 . . . . A 43 LYS HG2 . 31013 1 357 . 1 . 1 43 43 LYS HD2 H 1 1.7219 0.0000 . 2 . . . . A 43 LYS HD2 . 31013 1 358 . 1 . 1 43 43 LYS HE2 H 1 2.9440 0.0000 . 2 . . . . A 43 LYS HE2 . 31013 1 359 . 1 . 1 43 43 LYS CA C 13 58.9813 0.0000 . 1 . . 14354 . A 43 LYS CA . 31013 1 360 . 1 . 1 43 43 LYS CB C 13 32.7365 0.0000 . 1 . . 14350 . A 43 LYS CB . 31013 1 361 . 1 . 1 43 43 LYS CG C 13 25.3365 0.0000 . 1 . . . . A 43 LYS CG . 31013 1 362 . 1 . 1 43 43 LYS CD C 13 29.2628 0.0000 . 1 . . . . A 43 LYS CD . 31013 1 363 . 1 . 1 43 43 LYS CE C 13 42.0833 0.0000 . 1 . . . . A 43 LYS CE . 31013 1 364 . 1 . 1 43 43 LYS N N 15 121.1652 0.0000 . 1 . . 5676 . A 43 LYS N . 31013 1 365 . 1 . 1 44 44 GLU H H 1 7.9757 0.0000 . 1 . . 11863 . A 44 GLU H . 31013 1 366 . 1 . 1 44 44 GLU HA H 1 4.1432 0.0000 . 1 . . . . A 44 GLU HA . 31013 1 367 . 1 . 1 44 44 GLU HB2 H 1 2.0273 0.0000 . 2 . . . . A 44 GLU HB2 . 31013 1 368 . 1 . 1 44 44 GLU HB3 H 1 2.2210 0.0000 . 2 . . . . A 44 GLU HB3 . 31013 1 369 . 1 . 1 44 44 GLU HG2 H 1 2.4147 0.0000 . 2 . . . . A 44 GLU HG2 . 31013 1 370 . 1 . 1 44 44 GLU HG3 H 1 2.2210 0.0000 . 2 . . . . A 44 GLU HG3 . 31013 1 371 . 1 . 1 44 44 GLU CA C 13 57.8634 0.0000 . 1 . . 12032 . A 44 GLU CA . 31013 1 372 . 1 . 1 44 44 GLU CB C 13 29.4395 0.0000 . 1 . . 11867 . A 44 GLU CB . 31013 1 373 . 1 . 1 44 44 GLU CG C 13 36.3942 0.0000 . 1 . . . . A 44 GLU CG . 31013 1 374 . 1 . 1 44 44 GLU N N 15 119.7676 0.0000 . 1 . . 11865 . A 44 GLU N . 31013 1 375 . 1 . 1 45 45 LYS H H 1 7.8518 0.0000 . 1 . . 5290 . A 45 LYS H . 31013 1 376 . 1 . 1 45 45 LYS HA H 1 4.0389 0.0000 . 1 . . . . A 45 LYS HA . 31013 1 377 . 1 . 1 45 45 LYS HB2 H 1 1.7368 0.0000 . 2 . . . . A 45 LYS HB2 . 31013 1 378 . 1 . 1 45 45 LYS HG2 H 1 1.3270 0.0000 . 2 . . . . A 45 LYS HG2 . 31013 1 379 . 1 . 1 45 45 LYS HD2 H 1 1.6474 0.0000 . 2 . . . . A 45 LYS HD2 . 31013 1 380 . 1 . 1 45 45 LYS CA C 13 57.9230 0.0000 . 1 . . . . A 45 LYS CA . 31013 1 381 . 1 . 1 45 45 LYS CB C 13 32.5671 0.0000 . 1 . . 5297 . A 45 LYS CB . 31013 1 382 . 1 . 1 45 45 LYS CG C 13 24.6955 0.0000 . 1 . . . . A 45 LYS CG . 31013 1 383 . 1 . 1 45 45 LYS CE C 13 41.9231 0.0000 . 1 . . . . A 45 LYS CE . 31013 1 384 . 1 . 1 45 45 LYS N N 15 121.3019 0.0000 . 1 . . 5292 . A 45 LYS N . 31013 1 385 . 1 . 1 46 46 LYS H H 1 8.0008 0.0000 . 1 . . 5320 . A 46 LYS H . 31013 1 386 . 1 . 1 46 46 LYS HA H 1 4.2028 0.0000 . 1 . . . . A 46 LYS HA . 31013 1 387 . 1 . 1 46 46 LYS HB2 H 1 1.7815 0.0000 . 2 . . . . A 46 LYS HB2 . 31013 1 388 . 1 . 1 46 46 LYS HB3 H 1 1.7070 0.0000 . 2 . . . . A 46 LYS HB3 . 31013 1 389 . 1 . 1 46 46 LYS HG2 H 1 1.4164 0.0000 . 2 . . . . A 46 LYS HG2 . 31013 1 390 . 1 . 1 46 46 LYS HE2 H 1 2.8561 0.0000 . 2 . . . . A 46 LYS HE2 . 31013 1 391 . 1 . 1 46 46 LYS HE3 H 1 2.8741 0.0000 . 2 . . . . A 46 LYS HE3 . 31013 1 392 . 1 . 1 46 46 LYS CA C 13 57.0910 0.0000 . 1 . . 5321 . A 46 LYS CA . 31013 1 393 . 1 . 1 46 46 LYS CB C 13 32.3664 0.0000 . 1 . . 11000 . A 46 LYS CB . 31013 1 394 . 1 . 1 46 46 LYS CG C 13 24.5353 0.0000 . 1 . . . . A 46 LYS CG . 31013 1 395 . 1 . 1 46 46 LYS CE C 13 41.6830 0.0000 . 1 . . . . A 46 LYS CE . 31013 1 396 . 1 . 1 46 46 LYS N N 15 120.7542 0.0000 . 1 . . 5322 . A 46 LYS N . 31013 1 397 . 1 . 1 47 47 GLY H H 1 8.1332 0.0000 . 1 . . 5137 . A 47 GLY H . 31013 1 398 . 1 . 1 47 47 GLY HA2 H 1 3.9570 0.0000 . 2 . . . . A 47 GLY HA2 . 31013 1 399 . 1 . 1 47 47 GLY CA C 13 45.9526 0.0000 . 1 . . 14258 . A 47 GLY CA . 31013 1 400 . 1 . 1 47 47 GLY N N 15 109.0468 0.0000 . 1 . . 5139 . A 47 GLY N . 31013 1 401 . 1 . 1 48 48 ARG H H 1 7.9600 0.0000 . 1 . . 10471 . A 48 ARG H . 31013 1 402 . 1 . 1 48 48 ARG HA H 1 4.3220 0.0000 . 1 . . . . A 48 ARG HA . 31013 1 403 . 1 . 1 48 48 ARG HB2 H 1 1.8709 0.0000 . 2 . . . . A 48 ARG HB2 . 31013 1 404 . 1 . 1 48 48 ARG HG2 H 1 1.6772 0.0000 . 2 . . . . A 48 ARG HG2 . 31013 1 405 . 1 . 1 48 48 ARG HD2 H 1 3.1970 0.0000 . 2 . . . . A 48 ARG HD2 . 31013 1 406 . 1 . 1 48 48 ARG CA C 13 56.7055 0.0000 . 1 . . 14374 . A 48 ARG CA . 31013 1 407 . 1 . 1 48 48 ARG CB C 13 30.4839 0.0000 . 1 . . 10597 . A 48 ARG CB . 31013 1 408 . 1 . 1 48 48 ARG CG C 13 27.0994 0.0000 . 1 . . . . A 48 ARG CG . 31013 1 409 . 1 . 1 48 48 ARG CD C 13 43.3660 0.0000 . 1 . . . . A 48 ARG CD . 31013 1 410 . 1 . 1 48 48 ARG N N 15 120.8557 0.0000 . 1 . . 10473 . A 48 ARG N . 31013 1 411 . 1 . 1 49 49 GLU H H 1 8.3184 0.0000 . 1 . . 5644 . A 49 GLU H . 31013 1 412 . 1 . 1 49 49 GLU HA H 1 4.2252 0.0000 . 1 . . . . A 49 GLU HA . 31013 1 413 . 1 . 1 49 49 GLU HB2 H 1 2.0646 0.0000 . 2 . . . . A 49 GLU HB2 . 31013 1 414 . 1 . 1 49 49 GLU HG2 H 1 2.3551 0.0000 . 2 . . . . A 49 GLU HG2 . 31013 1 415 . 1 . 1 49 49 GLU CA C 13 57.4169 0.0000 . 1 . . 15893 . A 49 GLU CA . 31013 1 416 . 1 . 1 49 49 GLU CB C 13 29.9240 0.0000 . 1 . . 15895 . A 49 GLU CB . 31013 1 417 . 1 . 1 49 49 GLU CG C 13 36.3414 0.0000 . 1 . . . . A 49 GLU CG . 31013 1 418 . 1 . 1 49 49 GLU N N 15 121.7357 0.0000 . 1 . . 5646 . A 49 GLU N . 31013 1 419 . 1 . 1 50 50 ARG H H 1 8.1601 0.0000 . 1 . . 10514 . A 50 ARG H . 31013 1 420 . 1 . 1 50 50 ARG HA H 1 4.2922 0.0000 . 1 . . . . A 50 ARG HA . 31013 1 421 . 1 . 1 50 50 ARG HB2 H 1 1.8634 0.0000 . 2 . . . . A 50 ARG HB2 . 31013 1 422 . 1 . 1 50 50 ARG HG2 H 1 1.6548 0.0000 . 2 . . . . A 50 ARG HG2 . 31013 1 423 . 1 . 1 50 50 ARG HD2 H 1 3.2119 0.0000 . 2 . . . . A 50 ARG HD2 . 31013 1 424 . 1 . 1 50 50 ARG CA C 13 56.4372 0.0000 . 1 . . 15909 . A 50 ARG CA . 31013 1 425 . 1 . 1 50 50 ARG CB C 13 30.3846 0.0000 . 1 . . . . A 50 ARG CB . 31013 1 426 . 1 . 1 50 50 ARG CG C 13 26.9391 0.0000 . 1 . . . . A 50 ARG CG . 31013 1 427 . 1 . 1 50 50 ARG CD C 13 43.3904 0.0000 . 1 . . . . A 50 ARG CD . 31013 1 428 . 1 . 1 50 50 ARG N N 15 120.9749 0.0000 . 1 . . 10516 . A 50 ARG N . 31013 1 429 . 1 . 1 51 51 GLU H H 1 8.2596 0.0000 . 1 . . 6142 . A 51 GLU H . 31013 1 430 . 1 . 1 51 51 GLU CA C 13 57.4620 0.0000 . 1 . . 15905 . A 51 GLU CA . 31013 1 431 . 1 . 1 51 51 GLU CB C 13 30.0278 0.0000 . 1 . . 15907 . A 51 GLU CB . 31013 1 432 . 1 . 1 51 51 GLU N N 15 121.5892 0.0000 . 1 . . 6144 . A 51 GLU N . 31013 1 433 . 1 . 1 55 55 ARG H H 1 7.9560 0.0000 . 1 . . 8216 . A 55 ARG H . 31013 1 434 . 1 . 1 55 55 ARG HA H 1 4.3891 0.0000 . 1 . . . . A 55 ARG HA . 31013 1 435 . 1 . 1 55 55 ARG HB2 H 1 1.3856 0.0000 . 2 . . . . A 55 ARG HB2 . 31013 1 436 . 1 . 1 55 55 ARG HG2 H 1 1.6175 0.0000 . 2 . . . . A 55 ARG HG2 . 31013 1 437 . 1 . 1 55 55 ARG HD2 H 1 3.1896 0.0000 . 2 . . . . A 55 ARG HD2 . 31013 1 438 . 1 . 1 55 55 ARG CA C 13 55.6385 0.0000 . 1 . . 14154 . A 55 ARG CA . 31013 1 439 . 1 . 1 55 55 ARG CB C 13 31.3221 0.0000 . 1 . . 14158 . A 55 ARG CB . 31013 1 440 . 1 . 1 55 55 ARG CG C 13 26.6987 0.0000 . 1 . . . . A 55 ARG CG . 31013 1 441 . 1 . 1 55 55 ARG CD C 13 43.2051 0.0000 . 1 . . . . A 55 ARG CD . 31013 1 442 . 1 . 1 55 55 ARG N N 15 122.6800 0.0000 . 1 . . 8218 . A 55 ARG N . 31013 1 443 . 1 . 1 56 56 ASP H H 1 7.9838 0.0000 . 1 . . 5977 . A 56 ASP H . 31013 1 444 . 1 . 1 56 56 ASP HB2 H 1 3.0000 0.0000 . 2 . . . . A 56 ASP HB2 . 31013 1 445 . 1 . 1 56 56 ASP CA C 13 55.9017 0.0000 . 1 . . 7080 . A 56 ASP CA . 31013 1 446 . 1 . 1 56 56 ASP CB C 13 42.4273 0.0000 . 1 . . 7122 . A 56 ASP CB . 31013 1 447 . 1 . 1 56 56 ASP N N 15 127.8815 0.0000 . 1 . . 5979 . A 56 ASP N . 31013 1 stop_ save_