################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18192 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 8 '3D CBCA(CO)NH' . . . 18192 1 9 '3D HNCO' . . . 18192 1 10 '3D HNCA' . . . 18192 1 11 '3D HNCACB' . . . 18192 1 12 '3D HCCH-TOCSY' . . . 18192 1 13 '3D HNCACO' . . . 18192 1 14 '3D HN(CO)CA' . . . 18192 1 15 '2D 1H-1H NOESY' . . . 18192 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.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 ASN HA H 1 5.0897 0.05 . 1 . . . . 1 ASN HA . 18192 1 2 . 1 1 1 1 ASN HB3 H 1 3.0268 0.05 . 2 . . . . 1 ASN HB3 . 18192 1 3 . 1 1 1 1 ASN CA C 13 53.4791 0.3 . 1 . . . . 1 ASN CA . 18192 1 4 . 1 1 1 1 ASN CB C 13 39.0592 0.3 . 1 . . . . 1 ASN CB . 18192 1 5 . 1 1 2 2 PRO HD2 H 1 4.0792 0.05 . 2 . . . . 2 PRO HD2 . 18192 1 6 . 1 1 2 2 PRO C C 13 177.0374 0.3 . 1 . . . . 2 PRO C . 18192 1 7 . 1 1 2 2 PRO CA C 13 63.8123 0.3 . 1 . . . . 2 PRO CA . 18192 1 8 . 1 1 2 2 PRO CB C 13 32.0896 0.3 . 1 . . . . 2 PRO CB . 18192 1 9 . 1 1 2 2 PRO CD C 13 50.6819 0.3 . 1 . . . . 2 PRO CD . 18192 1 10 . 1 1 3 3 ASN H H 1 8.4910 0.05 . 1 . . . . 3 ASN H . 18192 1 11 . 1 1 3 3 ASN HA H 1 4.8352 0.05 . 1 . . . . 3 ASN HA . 18192 1 12 . 1 1 3 3 ASN HB2 H 1 3.0189 0.05 . 2 . . . . 3 ASN HB2 . 18192 1 13 . 1 1 3 3 ASN HB3 H 1 2.8773 0.05 . 2 . . . . 3 ASN HB3 . 18192 1 14 . 1 1 3 3 ASN C C 13 175.1897 0.3 . 1 . . . . 3 ASN C . 18192 1 15 . 1 1 3 3 ASN CA C 13 53.4778 0.3 . 1 . . . . 3 ASN CA . 18192 1 16 . 1 1 3 3 ASN CB C 13 38.7208 0.3 . 1 . . . . 3 ASN CB . 18192 1 17 . 1 1 3 3 ASN N N 15 119.7540 0.2 . 1 . . . . 3 ASN N . 18192 1 18 . 1 1 4 4 ALA H H 1 8.1309 0.05 . 1 . . . . 4 ALA H . 18192 1 19 . 1 1 4 4 ALA HA H 1 4.4133 0.05 . 1 . . . . 4 ALA HA . 18192 1 20 . 1 1 4 4 ALA HB1 H 1 1.5449 0.05 . 1 . . . . 4 ALA HB1 . 18192 1 21 . 1 1 4 4 ALA HB2 H 1 1.5449 0.05 . 1 . . . . 4 ALA HB1 . 18192 1 22 . 1 1 4 4 ALA HB3 H 1 1.5449 0.05 . 1 . . . . 4 ALA HB1 . 18192 1 23 . 1 1 4 4 ALA C C 13 177.6219 0.3 . 1 . . . . 4 ALA C . 18192 1 24 . 1 1 4 4 ALA CA C 13 53.0628 0.3 . 1 . . . . 4 ALA CA . 18192 1 25 . 1 1 4 4 ALA CB C 13 19.4908 0.3 . 1 . . . . 4 ALA CB . 18192 1 26 . 1 1 4 4 ALA N N 15 126.2714 0.2 . 1 . . . . 4 ALA N . 18192 1 27 . 1 1 5 5 GLN H H 1 8.4091 0.05 . 1 . . . . 5 GLN H . 18192 1 28 . 1 1 5 5 GLN HA H 1 4.4418 0.05 . 1 . . . . 5 GLN HA . 18192 1 29 . 1 1 5 5 GLN HG2 H 1 2.4358 0.05 . 2 . . . . 5 GLN HG2 . 18192 1 30 . 1 1 5 5 GLN C C 13 175.9011 0.3 . 1 . . . . 5 GLN C . 18192 1 31 . 1 1 5 5 GLN CA C 13 56.0084 0.3 . 1 . . . . 5 GLN CA . 18192 1 32 . 1 1 5 5 GLN CB C 13 29.4004 0.3 . 1 . . . . 5 GLN CB . 18192 1 33 . 1 1 5 5 GLN CG C 13 34.2120 0.3 . 1 . . . . 5 GLN CG . 18192 1 34 . 1 1 5 5 GLN N N 15 121.2714 0.2 . 1 . . . . 5 GLN N . 18192 1 35 . 1 1 6 6 LEU H H 1 8.3350 0.05 . 1 . . . . 6 LEU H . 18192 1 36 . 1 1 6 6 LEU HA H 1 4.5021 0.05 . 1 . . . . 6 LEU HA . 18192 1 37 . 1 1 6 6 LEU HB2 H 1 1.7792 0.05 . 2 . . . . 6 LEU HB2 . 18192 1 38 . 1 1 6 6 LEU HB3 H 1 1.7284 0.05 . 2 . . . . 6 LEU HB3 . 18192 1 39 . 1 1 6 6 LEU HD11 H 1 1.0638 0.05 . 2 . . . . 6 LEU HD11 . 18192 1 40 . 1 1 6 6 LEU HD12 H 1 1.0638 0.05 . 2 . . . . 6 LEU HD11 . 18192 1 41 . 1 1 6 6 LEU HD13 H 1 1.0638 0.05 . 2 . . . . 6 LEU HD11 . 18192 1 42 . 1 1 6 6 LEU HD21 H 1 1.0036 0.05 . 2 . . . . 6 LEU HD21 . 18192 1 43 . 1 1 6 6 LEU HD22 H 1 1.0036 0.05 . 2 . . . . 6 LEU HD21 . 18192 1 44 . 1 1 6 6 LEU HD23 H 1 1.0036 0.05 . 2 . . . . 6 LEU HD21 . 18192 1 45 . 1 1 6 6 LEU C C 13 177.0939 0.3 . 1 . . . . 6 LEU C . 18192 1 46 . 1 1 6 6 LEU CA C 13 55.4541 0.3 . 1 . . . . 6 LEU CA . 18192 1 47 . 1 1 6 6 LEU CB C 13 42.4514 0.3 . 1 . . . . 6 LEU CB . 18192 1 48 . 1 1 6 6 LEU CD1 C 13 24.8771 0.3 . 2 . . . . 6 LEU CD1 . 18192 1 49 . 1 1 6 6 LEU CD2 C 13 23.4658 0.3 . 2 . . . . 6 LEU CD2 . 18192 1 50 . 1 1 6 6 LEU N N 15 125.8192 0.2 . 1 . . . . 6 LEU N . 18192 1 51 . 1 1 7 7 ILE H H 1 8.2646 0.05 . 1 . . . . 7 ILE H . 18192 1 52 . 1 1 7 7 ILE HA H 1 4.3160 0.05 . 1 . . . . 7 ILE HA . 18192 1 53 . 1 1 7 7 ILE HB H 1 1.9915 0.05 . 1 . . . . 7 ILE HB . 18192 1 54 . 1 1 7 7 ILE HG12 H 1 1.5974 0.05 . 2 . . . . 7 ILE HG12 . 18192 1 55 . 1 1 7 7 ILE HG13 H 1 1.3195 0.05 . 2 . . . . 7 ILE HG13 . 18192 1 56 . 1 1 7 7 ILE HG21 H 1 1.0319 0.05 . 1 . . . . 7 ILE HG21 . 18192 1 57 . 1 1 7 7 ILE HG22 H 1 1.0319 0.05 . 1 . . . . 7 ILE HG21 . 18192 1 58 . 1 1 7 7 ILE HG23 H 1 1.0319 0.05 . 1 . . . . 7 ILE HG21 . 18192 1 59 . 1 1 7 7 ILE HD11 H 1 0.9942 0.05 . 1 . . . . 7 ILE HD11 . 18192 1 60 . 1 1 7 7 ILE HD12 H 1 0.9942 0.05 . 1 . . . . 7 ILE HD11 . 18192 1 61 . 1 1 7 7 ILE HD13 H 1 0.9942 0.05 . 1 . . . . 7 ILE HD11 . 18192 1 62 . 1 1 7 7 ILE C C 13 176.1334 0.3 . 1 . . . . 7 ILE C . 18192 1 63 . 1 1 7 7 ILE CA C 13 60.9846 0.3 . 1 . . . . 7 ILE CA . 18192 1 64 . 1 1 7 7 ILE CB C 13 38.8898 0.3 . 1 . . . . 7 ILE CB . 18192 1 65 . 1 1 7 7 ILE CG1 C 13 27.4666 0.3 . 1 . . . . 7 ILE CG1 . 18192 1 66 . 1 1 7 7 ILE CG2 C 13 17.7510 0.3 . 1 . . . . 7 ILE CG2 . 18192 1 67 . 1 1 7 7 ILE CD1 C 13 13.6814 0.3 . 1 . . . . 7 ILE CD1 . 18192 1 68 . 1 1 7 7 ILE N N 15 124.6278 0.2 . 1 . . . . 7 ILE N . 18192 1 69 . 1 1 8 8 GLU H H 1 8.5780 0.05 . 1 . . . . 8 GLU H . 18192 1 70 . 1 1 8 8 GLU HA H 1 4.4234 0.05 . 1 . . . . 8 GLU HA . 18192 1 71 . 1 1 8 8 GLU HB2 H 1 2.1327 0.05 . 2 . . . . 8 GLU HB2 . 18192 1 72 . 1 1 8 8 GLU HB3 H 1 2.0279 0.05 . 2 . . . . 8 GLU HB3 . 18192 1 73 . 1 1 8 8 GLU HG2 H 1 2.3628 0.05 . 2 . . . . 8 GLU HG2 . 18192 1 74 . 1 1 8 8 GLU HG3 H 1 2.3600 0.05 . 2 . . . . 8 GLU HG3 . 18192 1 75 . 1 1 8 8 GLU C C 13 175.8409 0.3 . 1 . . . . 8 GLU C . 18192 1 76 . 1 1 8 8 GLU CA C 13 56.3548 0.3 . 1 . . . . 8 GLU CA . 18192 1 77 . 1 1 8 8 GLU CB C 13 30.8974 0.3 . 1 . . . . 8 GLU CB . 18192 1 78 . 1 1 8 8 GLU CG C 13 36.5984 0.3 . 1 . . . . 8 GLU CG . 18192 1 79 . 1 1 8 8 GLU N N 15 127.7215 0.2 . 1 . . . . 8 GLU N . 18192 1 80 . 1 1 9 9 ASP H H 1 8.6144 0.05 . 1 . . . . 9 ASP H . 18192 1 81 . 1 1 9 9 ASP HA H 1 5.0073 0.05 . 1 . . . . 9 ASP HA . 18192 1 82 . 1 1 9 9 ASP HB2 H 1 2.9204 0.05 . 2 . . . . 9 ASP HB2 . 18192 1 83 . 1 1 9 9 ASP HB3 H 1 2.6602 0.05 . 2 . . . . 9 ASP HB3 . 18192 1 84 . 1 1 9 9 ASP C C 13 174.4445 0.3 . 1 . . . . 9 ASP C . 18192 1 85 . 1 1 9 9 ASP CA C 13 52.3435 0.3 . 1 . . . . 9 ASP CA . 18192 1 86 . 1 1 9 9 ASP CB C 13 41.6260 0.3 . 1 . . . . 9 ASP CB . 18192 1 87 . 1 1 9 9 ASP N N 15 126.1389 0.2 . 1 . . . . 9 ASP N . 18192 1 88 . 1 1 10 10 PRO HA H 1 4.5455 0.05 . 1 . . . . 10 PRO HA . 18192 1 89 . 1 1 10 10 PRO HB3 H 1 2.0997 0.05 . 2 . . . . 10 PRO HB3 . 18192 1 90 . 1 1 10 10 PRO HG2 H 1 2.2204 0.05 . 2 . . . . 10 PRO HG2 . 18192 1 91 . 1 1 10 10 PRO HG3 H 1 2.0283 0.05 . 2 . . . . 10 PRO HG3 . 18192 1 92 . 1 1 10 10 PRO HD2 H 1 4.0028 0.05 . 2 . . . . 10 PRO HD2 . 18192 1 93 . 1 1 10 10 PRO HD3 H 1 3.9444 0.05 . 2 . . . . 10 PRO HD3 . 18192 1 94 . 1 1 10 10 PRO C C 13 177.4782 0.3 . 1 . . . . 10 PRO C . 18192 1 95 . 1 1 10 10 PRO CA C 13 63.7275 0.3 . 1 . . . . 10 PRO CA . 18192 1 96 . 1 1 10 10 PRO CB C 13 32.3348 0.3 . 1 . . . . 10 PRO CB . 18192 1 97 . 1 1 10 10 PRO CG C 13 27.8093 0.3 . 1 . . . . 10 PRO CG . 18192 1 98 . 1 1 10 10 PRO CD C 13 51.0706 0.3 . 1 . . . . 10 PRO CD . 18192 1 99 . 1 1 11 11 LEU H H 1 8.5266 0.05 . 1 . . . . 11 LEU H . 18192 1 100 . 1 1 11 11 LEU HA H 1 4.4075 0.05 . 1 . . . . 11 LEU HA . 18192 1 101 . 1 1 11 11 LEU HB2 H 1 1.8534 0.05 . 2 . . . . 11 LEU HB2 . 18192 1 102 . 1 1 11 11 LEU HB3 H 1 1.7022 0.05 . 2 . . . . 11 LEU HB3 . 18192 1 103 . 1 1 11 11 LEU HG H 1 1.7177 0.05 . 1 . . . . 11 LEU HG . 18192 1 104 . 1 1 11 11 LEU HD11 H 1 1.0739 0.05 . 2 . . . . 11 LEU HD11 . 18192 1 105 . 1 1 11 11 LEU HD12 H 1 1.0739 0.05 . 2 . . . . 11 LEU HD11 . 18192 1 106 . 1 1 11 11 LEU HD13 H 1 1.0739 0.05 . 2 . . . . 11 LEU HD11 . 18192 1 107 . 1 1 11 11 LEU HD21 H 1 1.0077 0.05 . 2 . . . . 11 LEU HD21 . 18192 1 108 . 1 1 11 11 LEU HD22 H 1 1.0077 0.05 . 2 . . . . 11 LEU HD21 . 18192 1 109 . 1 1 11 11 LEU HD23 H 1 1.0077 0.05 . 2 . . . . 11 LEU HD21 . 18192 1 110 . 1 1 11 11 LEU C C 13 177.6286 0.3 . 1 . . . . 11 LEU C . 18192 1 111 . 1 1 11 11 LEU CA C 13 55.6949 0.3 . 1 . . . . 11 LEU CA . 18192 1 112 . 1 1 11 11 LEU CB C 13 42.0892 0.3 . 1 . . . . 11 LEU CB . 18192 1 113 . 1 1 11 11 LEU CG C 13 27.2423 0.3 . 1 . . . . 11 LEU CG . 18192 1 114 . 1 1 11 11 LEU CD1 C 13 25.1613 0.3 . 2 . . . . 11 LEU CD1 . 18192 1 115 . 1 1 11 11 LEU CD2 C 13 23.7127 0.3 . 2 . . . . 11 LEU CD2 . 18192 1 116 . 1 1 11 11 LEU N N 15 122.7157 0.2 . 1 . . . . 11 LEU N . 18192 1 117 . 1 1 12 12 ASP H H 1 8.2339 0.05 . 1 . . . . 12 ASP H . 18192 1 118 . 1 1 12 12 ASP HA H 1 4.7375 0.05 . 1 . . . . 12 ASP HA . 18192 1 119 . 1 1 12 12 ASP HB2 H 1 2.8206 0.05 . 2 . . . . 12 ASP HB2 . 18192 1 120 . 1 1 12 12 ASP HB3 H 1 2.7607 0.05 . 2 . . . . 12 ASP HB3 . 18192 1 121 . 1 1 12 12 ASP C C 13 175.7807 0.3 . 1 . . . . 12 ASP C . 18192 1 122 . 1 1 12 12 ASP CA C 13 54.4163 0.3 . 1 . . . . 12 ASP CA . 18192 1 123 . 1 1 12 12 ASP CB C 13 37.7757 0.3 . 1 . . . . 12 ASP CB . 18192 1 124 . 1 1 12 12 ASP N N 15 122.2873 0.2 . 1 . . . . 12 ASP N . 18192 1 125 . 1 1 13 13 LYS H H 1 8.0469 0.05 . 1 . . . . 13 LYS H . 18192 1 126 . 1 1 13 13 LYS HA H 1 4.7252 0.05 . 1 . . . . 13 LYS HA . 18192 1 127 . 1 1 13 13 LYS HB2 H 1 1.9371 0.05 . 2 . . . . 13 LYS HB2 . 18192 1 128 . 1 1 13 13 LYS HB3 H 1 1.8541 0.05 . 2 . . . . 13 LYS HB3 . 18192 1 129 . 1 1 13 13 LYS HG2 H 1 1.6126 0.05 . 2 . . . . 13 LYS HG2 . 18192 1 130 . 1 1 13 13 LYS HG3 H 1 1.5603 0.05 . 2 . . . . 13 LYS HG3 . 18192 1 131 . 1 1 13 13 LYS HD2 H 1 1.7155 0.05 . 2 . . . . 13 LYS HD2 . 18192 1 132 . 1 1 13 13 LYS HE2 H 1 3.2100 0.05 . 2 . . . . 13 LYS HE2 . 18192 1 133 . 1 1 13 13 LYS HE3 H 1 3.1370 0.05 . 2 . . . . 13 LYS HE3 . 18192 1 134 . 1 1 13 13 LYS CA C 13 54.4378 0.3 . 1 . . . . 13 LYS CA . 18192 1 135 . 1 1 13 13 LYS CB C 13 32.9693 0.3 . 1 . . . . 13 LYS CB . 18192 1 136 . 1 1 13 13 LYS CG C 13 24.7081 0.3 . 1 . . . . 13 LYS CG . 18192 1 137 . 1 1 13 13 LYS CD C 13 27.2847 0.3 . 1 . . . . 13 LYS CD . 18192 1 138 . 1 1 13 13 LYS CE C 13 42.4040 0.3 . 1 . . . . 13 LYS CE . 18192 1 139 . 1 1 13 13 LYS N N 15 124.0704 0.2 . 1 . . . . 13 LYS N . 18192 1 140 . 1 1 14 14 PRO HA H 1 4.5859 0.05 . 1 . . . . 14 PRO HA . 18192 1 141 . 1 1 14 14 PRO HB2 H 1 2.4389 0.05 . 2 . . . . 14 PRO HB2 . 18192 1 142 . 1 1 14 14 PRO HB3 H 1 1.9883 0.05 . 2 . . . . 14 PRO HB3 . 18192 1 143 . 1 1 14 14 PRO HG2 H 1 2.3279 0.05 . 2 . . . . 14 PRO HG2 . 18192 1 144 . 1 1 14 14 PRO HG3 H 1 2.1219 0.05 . 2 . . . . 14 PRO HG3 . 18192 1 145 . 1 1 14 14 PRO HD2 H 1 3.9203 0.05 . 2 . . . . 14 PRO HD2 . 18192 1 146 . 1 1 14 14 PRO HD3 H 1 3.7425 0.05 . 2 . . . . 14 PRO HD3 . 18192 1 147 . 1 1 14 14 PRO C C 13 177.1068 0.3 . 1 . . . . 14 PRO C . 18192 1 148 . 1 1 14 14 PRO CA C 13 63.2345 0.3 . 1 . . . . 14 PRO CA . 18192 1 149 . 1 1 14 14 PRO CB C 13 32.2363 0.3 . 1 . . . . 14 PRO CB . 18192 1 150 . 1 1 14 14 PRO CG C 13 29.6256 0.3 . 1 . . . . 14 PRO CG . 18192 1 151 . 1 1 14 14 PRO CD C 13 50.7932 0.3 . 1 . . . . 14 PRO CD . 18192 1 152 . 1 1 15 15 ILE H H 1 8.3868 0.05 . 1 . . . . 15 ILE H . 18192 1 153 . 1 1 15 15 ILE HA H 1 4.1822 0.05 . 1 . . . . 15 ILE HA . 18192 1 154 . 1 1 15 15 ILE HB H 1 1.8982 0.05 . 1 . . . . 15 ILE HB . 18192 1 155 . 1 1 15 15 ILE HG12 H 1 1.6485 0.05 . 2 . . . . 15 ILE HG12 . 18192 1 156 . 1 1 15 15 ILE HG13 H 1 1.3163 0.05 . 2 . . . . 15 ILE HG13 . 18192 1 157 . 1 1 15 15 ILE HG21 H 1 0.8636 0.05 . 1 . . . . 15 ILE HG21 . 18192 1 158 . 1 1 15 15 ILE HG22 H 1 0.8636 0.05 . 1 . . . . 15 ILE HG21 . 18192 1 159 . 1 1 15 15 ILE HG23 H 1 0.8636 0.05 . 1 . . . . 15 ILE HG21 . 18192 1 160 . 1 1 15 15 ILE HD11 H 1 0.9948 0.05 . 1 . . . . 15 ILE HD11 . 18192 1 161 . 1 1 15 15 ILE HD12 H 1 0.9948 0.05 . 1 . . . . 15 ILE HD11 . 18192 1 162 . 1 1 15 15 ILE HD13 H 1 0.9948 0.05 . 1 . . . . 15 ILE HD11 . 18192 1 163 . 1 1 15 15 ILE C C 13 176.1741 0.3 . 1 . . . . 15 ILE C . 18192 1 164 . 1 1 15 15 ILE CA C 13 61.5764 0.3 . 1 . . . . 15 ILE CA . 18192 1 165 . 1 1 15 15 ILE CB C 13 38.9625 0.3 . 1 . . . . 15 ILE CB . 18192 1 166 . 1 1 15 15 ILE CG1 C 13 27.5669 0.3 . 1 . . . . 15 ILE CG1 . 18192 1 167 . 1 1 15 15 ILE CG2 C 13 17.7601 0.3 . 1 . . . . 15 ILE CG2 . 18192 1 168 . 1 1 15 15 ILE CD1 C 13 13.0814 0.3 . 1 . . . . 15 ILE CD1 . 18192 1 169 . 1 1 15 15 ILE N N 15 124.0899 0.2 . 1 . . . . 15 ILE N . 18192 1 170 . 1 1 16 16 GLN H H 1 8.4274 0.05 . 1 . . . . 16 GLN H . 18192 1 171 . 1 1 16 16 GLN HA H 1 4.5629 0.05 . 1 . . . . 16 GLN HA . 18192 1 172 . 1 1 16 16 GLN HB2 H 1 2.1808 0.05 . 2 . . . . 16 GLN HB2 . 18192 1 173 . 1 1 16 16 GLN HB3 H 1 2.0480 0.05 . 2 . . . . 16 GLN HB3 . 18192 1 174 . 1 1 16 16 GLN HG2 H 1 2.4942 0.05 . 2 . . . . 16 GLN HG2 . 18192 1 175 . 1 1 16 16 GLN C C 13 174.9625 0.3 . 1 . . . . 16 GLN C . 18192 1 176 . 1 1 16 16 GLN CA C 13 55.5808 0.3 . 1 . . . . 16 GLN CA . 18192 1 177 . 1 1 16 16 GLN CB C 13 30.7261 0.3 . 1 . . . . 16 GLN CB . 18192 1 178 . 1 1 16 16 GLN CG C 13 34.1627 0.3 . 1 . . . . 16 GLN CG . 18192 1 179 . 1 1 16 16 GLN N N 15 125.9630 0.2 . 1 . . . . 16 GLN N . 18192 1 180 . 1 1 17 17 TYR H H 1 8.3665 0.05 . 1 . . . . 17 TYR H . 18192 1 181 . 1 1 17 17 TYR HA H 1 5.1749 0.05 . 1 . . . . 17 TYR HA . 18192 1 182 . 1 1 17 17 TYR HB3 H 1 2.8798 0.05 . 2 . . . . 17 TYR HB3 . 18192 1 183 . 1 1 17 17 TYR C C 13 175.5918 0.3 . 1 . . . . 17 TYR C . 18192 1 184 . 1 1 17 17 TYR CA C 13 57.1696 0.3 . 1 . . . . 17 TYR CA . 18192 1 185 . 1 1 17 17 TYR CB C 13 39.0269 0.3 . 1 . . . . 17 TYR CB . 18192 1 186 . 1 1 17 17 TYR N N 15 122.4422 0.2 . 1 . . . . 17 TYR N . 18192 1 187 . 1 1 18 18 ARG H H 1 9.2220 0.05 . 1 . . . . 18 ARG H . 18192 1 188 . 1 1 18 18 ARG HA H 1 4.7377 0.05 . 1 . . . . 18 ARG HA . 18192 1 189 . 1 1 18 18 ARG HB2 H 1 1.8929 0.05 . 2 . . . . 18 ARG HB2 . 18192 1 190 . 1 1 18 18 ARG HB3 H 1 1.8307 0.05 . 2 . . . . 18 ARG HB3 . 18192 1 191 . 1 1 18 18 ARG HD2 H 1 3.3663 0.05 . 2 . . . . 18 ARG HD2 . 18192 1 192 . 1 1 18 18 ARG HD3 H 1 3.3253 0.05 . 2 . . . . 18 ARG HD3 . 18192 1 193 . 1 1 18 18 ARG C C 13 174.9355 0.3 . 1 . . . . 18 ARG C . 18192 1 194 . 1 1 18 18 ARG CA C 13 55.2070 0.3 . 1 . . . . 18 ARG CA . 18192 1 195 . 1 1 18 18 ARG CB C 13 33.5481 0.3 . 1 . . . . 18 ARG CB . 18192 1 196 . 1 1 18 18 ARG CD C 13 43.5539 0.3 . 1 . . . . 18 ARG CD . 18192 1 197 . 1 1 18 18 ARG N N 15 123.3799 0.2 . 1 . . . . 18 ARG N . 18192 1 198 . 1 1 19 19 VAL H H 1 8.6441 0.05 . 1 . . . . 19 VAL H . 18192 1 199 . 1 1 19 19 VAL HA H 1 4.3060 0.05 . 1 . . . . 19 VAL HA . 18192 1 200 . 1 1 19 19 VAL HB H 1 1.9371 0.05 . 1 . . . . 19 VAL HB . 18192 1 201 . 1 1 19 19 VAL HG11 H 1 0.9680 0.05 . 2 . . . . 19 VAL HG11 . 18192 1 202 . 1 1 19 19 VAL HG12 H 1 0.9680 0.05 . 2 . . . . 19 VAL HG11 . 18192 1 203 . 1 1 19 19 VAL HG13 H 1 0.9680 0.05 . 2 . . . . 19 VAL HG11 . 18192 1 204 . 1 1 19 19 VAL HG21 H 1 0.8086 0.05 . 2 . . . . 19 VAL HG21 . 18192 1 205 . 1 1 19 19 VAL HG22 H 1 0.8086 0.05 . 2 . . . . 19 VAL HG21 . 18192 1 206 . 1 1 19 19 VAL HG23 H 1 0.8086 0.05 . 2 . . . . 19 VAL HG21 . 18192 1 207 . 1 1 19 19 VAL C C 13 176.3544 0.3 . 1 . . . . 19 VAL C . 18192 1 208 . 1 1 19 19 VAL CA C 13 62.0346 0.3 . 1 . . . . 19 VAL CA . 18192 1 209 . 1 1 19 19 VAL CB C 13 32.9713 0.3 . 1 . . . . 19 VAL CB . 18192 1 210 . 1 1 19 19 VAL CG1 C 13 21.5571 0.3 . 2 . . . . 19 VAL CG1 . 18192 1 211 . 1 1 19 19 VAL CG2 C 13 21.2372 0.3 . 2 . . . . 19 VAL CG2 . 18192 1 212 . 1 1 19 19 VAL N N 15 124.7344 0.2 . 1 . . . . 19 VAL N . 18192 1 213 . 1 1 20 20 CYS H H 1 8.7411 0.05 . 1 . . . . 20 CYS H . 18192 1 214 . 1 1 20 20 CYS HA H 1 4.3160 0.05 . 1 . . . . 20 CYS HA . 18192 1 215 . 1 1 20 20 CYS HB2 H 1 3.3968 0.05 . 2 . . . . 20 CYS HB2 . 18192 1 216 . 1 1 20 20 CYS HB3 H 1 2.7213 0.05 . 2 . . . . 20 CYS HB3 . 18192 1 217 . 1 1 20 20 CYS C C 13 177.8630 0.3 . 1 . . . . 20 CYS C . 18192 1 218 . 1 1 20 20 CYS CA C 13 60.5546 0.3 . 1 . . . . 20 CYS CA . 18192 1 219 . 1 1 20 20 CYS CB C 13 30.6448 0.3 . 1 . . . . 20 CYS CB . 18192 1 220 . 1 1 20 20 CYS N N 15 132.1485 0.2 . 1 . . . . 20 CYS N . 18192 1 221 . 1 1 21 21 GLU H H 1 9.5114 0.05 . 1 . . . . 21 GLU H . 18192 1 222 . 1 1 21 21 GLU HA H 1 4.2646 0.05 . 1 . . . . 21 GLU HA . 18192 1 223 . 1 1 21 21 GLU HB2 H 1 2.2987 0.05 . 2 . . . . 21 GLU HB2 . 18192 1 224 . 1 1 21 21 GLU HB3 H 1 2.2314 0.05 . 2 . . . . 21 GLU HB3 . 18192 1 225 . 1 1 21 21 GLU HG2 H 1 2.5384 0.05 . 2 . . . . 21 GLU HG2 . 18192 1 226 . 1 1 21 21 GLU HG3 H 1 2.5217 0.05 . 2 . . . . 21 GLU HG3 . 18192 1 227 . 1 1 21 21 GLU C C 13 176.7349 0.3 . 1 . . . . 21 GLU C . 18192 1 228 . 1 1 21 21 GLU CA C 13 59.0150 0.3 . 1 . . . . 21 GLU CA . 18192 1 229 . 1 1 21 21 GLU CB C 13 29.7577 0.3 . 1 . . . . 21 GLU CB . 18192 1 230 . 1 1 21 21 GLU CG C 13 36.6441 0.3 . 1 . . . . 21 GLU CG . 18192 1 231 . 1 1 21 21 GLU N N 15 133.4212 0.2 . 1 . . . . 21 GLU N . 18192 1 232 . 1 1 22 22 LYS H H 1 9.4324 0.05 . 1 . . . . 22 LYS H . 18192 1 233 . 1 1 22 22 LYS HA H 1 4.5442 0.05 . 1 . . . . 22 LYS HA . 18192 1 234 . 1 1 22 22 LYS HB2 H 1 2.1433 0.05 . 2 . . . . 22 LYS HB2 . 18192 1 235 . 1 1 22 22 LYS HB3 H 1 1.8374 0.05 . 2 . . . . 22 LYS HB3 . 18192 1 236 . 1 1 22 22 LYS HG2 H 1 1.6255 0.05 . 2 . . . . 22 LYS HG2 . 18192 1 237 . 1 1 22 22 LYS HG3 H 1 1.5467 0.05 . 2 . . . . 22 LYS HG3 . 18192 1 238 . 1 1 22 22 LYS HD2 H 1 1.8748 0.05 . 2 . . . . 22 LYS HD2 . 18192 1 239 . 1 1 22 22 LYS HE2 H 1 3.1875 0.05 . 2 . . . . 22 LYS HE2 . 18192 1 240 . 1 1 22 22 LYS HE3 H 1 3.1237 0.05 . 2 . . . . 22 LYS HE3 . 18192 1 241 . 1 1 22 22 LYS C C 13 177.6842 0.3 . 1 . . . . 22 LYS C . 18192 1 242 . 1 1 22 22 LYS CA C 13 58.0193 0.3 . 1 . . . . 22 LYS CA . 18192 1 243 . 1 1 22 22 LYS CB C 13 33.8424 0.3 . 1 . . . . 22 LYS CB . 18192 1 244 . 1 1 22 22 LYS CG C 13 26.0575 0.3 . 1 . . . . 22 LYS CG . 18192 1 245 . 1 1 22 22 LYS CD C 13 29.4636 0.3 . 1 . . . . 22 LYS CD . 18192 1 246 . 1 1 22 22 LYS CE C 13 42.4299 0.3 . 1 . . . . 22 LYS CE . 18192 1 247 . 1 1 22 22 LYS N N 15 123.4120 0.2 . 1 . . . . 22 LYS N . 18192 1 248 . 1 1 23 23 CYS H H 1 8.2991 0.05 . 1 . . . . 23 CYS H . 18192 1 249 . 1 1 23 23 CYS HA H 1 5.1485 0.05 . 1 . . . . 23 CYS HA . 18192 1 250 . 1 1 23 23 CYS HB2 H 1 3.4775 0.05 . 2 . . . . 23 CYS HB2 . 18192 1 251 . 1 1 23 23 CYS HB3 H 1 3.0021 0.05 . 2 . . . . 23 CYS HB3 . 18192 1 252 . 1 1 23 23 CYS C C 13 177.1198 0.3 . 1 . . . . 23 CYS C . 18192 1 253 . 1 1 23 23 CYS CA C 13 58.7026 0.3 . 1 . . . . 23 CYS CA . 18192 1 254 . 1 1 23 23 CYS CB C 13 33.2011 0.3 . 1 . . . . 23 CYS CB . 18192 1 255 . 1 1 23 23 CYS N N 15 118.3548 0.2 . 1 . . . . 23 CYS N . 18192 1 256 . 1 1 24 24 GLY H H 1 8.1869 0.05 . 1 . . . . 24 GLY H . 18192 1 257 . 1 1 24 24 GLY HA2 H 1 4.2797 0.05 . 2 . . . . 24 GLY HA2 . 18192 1 258 . 1 1 24 24 GLY HA3 H 1 3.8841 0.05 . 2 . . . . 24 GLY HA3 . 18192 1 259 . 1 1 24 24 GLY C C 13 173.7688 0.3 . 1 . . . . 24 GLY C . 18192 1 260 . 1 1 24 24 GLY CA C 13 46.4990 0.3 . 1 . . . . 24 GLY CA . 18192 1 261 . 1 1 24 24 GLY N N 15 115.0114 0.2 . 1 . . . . 24 GLY N . 18192 1 262 . 1 1 25 25 LYS H H 1 8.3543 0.05 . 1 . . . . 25 LYS H . 18192 1 263 . 1 1 25 25 LYS HA H 1 4.7411 0.05 . 1 . . . . 25 LYS HA . 18192 1 264 . 1 1 25 25 LYS HB2 H 1 1.9552 0.05 . 2 . . . . 25 LYS HB2 . 18192 1 265 . 1 1 25 25 LYS HG2 H 1 1.7775 0.05 . 2 . . . . 25 LYS HG2 . 18192 1 266 . 1 1 25 25 LYS HD3 H 1 1.7814 0.05 . 2 . . . . 25 LYS HD3 . 18192 1 267 . 1 1 25 25 LYS HE2 H 1 3.2178 0.05 . 2 . . . . 25 LYS HE2 . 18192 1 268 . 1 1 25 25 LYS HE3 H 1 3.1537 0.05 . 2 . . . . 25 LYS HE3 . 18192 1 269 . 1 1 25 25 LYS C C 13 174.6087 0.3 . 1 . . . . 25 LYS C . 18192 1 270 . 1 1 25 25 LYS CA C 13 56.2809 0.3 . 1 . . . . 25 LYS CA . 18192 1 271 . 1 1 25 25 LYS CB C 13 33.2941 0.3 . 1 . . . . 25 LYS CB . 18192 1 272 . 1 1 25 25 LYS CG C 13 25.7150 0.3 . 1 . . . . 25 LYS CG . 18192 1 273 . 1 1 25 25 LYS CD C 13 27.3271 0.3 . 1 . . . . 25 LYS CD . 18192 1 274 . 1 1 25 25 LYS CE C 13 42.5746 0.3 . 1 . . . . 25 LYS CE . 18192 1 275 . 1 1 25 25 LYS N N 15 125.2618 0.2 . 1 . . . . 25 LYS N . 18192 1 276 . 1 1 26 26 PRO HA H 1 4.8050 0.05 . 1 . . . . 26 PRO HA . 18192 1 277 . 1 1 26 26 PRO HB2 H 1 2.0836 0.05 . 2 . . . . 26 PRO HB2 . 18192 1 278 . 1 1 26 26 PRO HB3 H 1 1.7531 0.05 . 2 . . . . 26 PRO HB3 . 18192 1 279 . 1 1 26 26 PRO HG3 H 1 1.7503 0.05 . 2 . . . . 26 PRO HG3 . 18192 1 280 . 1 1 26 26 PRO HD2 H 1 3.9179 0.05 . 2 . . . . 26 PRO HD2 . 18192 1 281 . 1 1 26 26 PRO HD3 H 1 3.7488 0.05 . 2 . . . . 26 PRO HD3 . 18192 1 282 . 1 1 26 26 PRO C C 13 176.6385 0.3 . 1 . . . . 26 PRO C . 18192 1 283 . 1 1 26 26 PRO CA C 13 62.5147 0.3 . 1 . . . . 26 PRO CA . 18192 1 284 . 1 1 26 26 PRO CB C 13 31.7049 0.3 . 1 . . . . 26 PRO CB . 18192 1 285 . 1 1 26 26 PRO CD C 13 50.8750 0.3 . 1 . . . . 26 PRO CD . 18192 1 286 . 1 1 27 27 LEU H H 1 8.9738 0.05 . 1 . . . . 27 LEU H . 18192 1 287 . 1 1 27 27 LEU HA H 1 4.7107 0.05 . 1 . . . . 27 LEU HA . 18192 1 288 . 1 1 27 27 LEU HB2 H 1 1.6876 0.05 . 2 . . . . 27 LEU HB2 . 18192 1 289 . 1 1 27 27 LEU HB3 H 1 1.4575 0.05 . 2 . . . . 27 LEU HB3 . 18192 1 290 . 1 1 27 27 LEU HG H 1 1.5725 0.05 . 1 . . . . 27 LEU HG . 18192 1 291 . 1 1 27 27 LEU HD11 H 1 0.6475 0.05 . 2 . . . . 27 LEU HD11 . 18192 1 292 . 1 1 27 27 LEU HD12 H 1 0.6475 0.05 . 2 . . . . 27 LEU HD11 . 18192 1 293 . 1 1 27 27 LEU HD13 H 1 0.6475 0.05 . 2 . . . . 27 LEU HD11 . 18192 1 294 . 1 1 27 27 LEU HD21 H 1 0.4080 0.05 . 2 . . . . 27 LEU HD21 . 18192 1 295 . 1 1 27 27 LEU HD22 H 1 0.4080 0.05 . 2 . . . . 27 LEU HD21 . 18192 1 296 . 1 1 27 27 LEU HD23 H 1 0.4080 0.05 . 2 . . . . 27 LEU HD21 . 18192 1 297 . 1 1 27 27 LEU C C 13 175.9244 0.3 . 1 . . . . 27 LEU C . 18192 1 298 . 1 1 27 27 LEU CA C 13 53.1926 0.3 . 1 . . . . 27 LEU CA . 18192 1 299 . 1 1 27 27 LEU CB C 13 45.2165 0.3 . 1 . . . . 27 LEU CB . 18192 1 300 . 1 1 27 27 LEU CG C 13 26.8113 0.3 . 1 . . . . 27 LEU CG . 18192 1 301 . 1 1 27 27 LEU CD1 C 13 25.9593 0.3 . 2 . . . . 27 LEU CD1 . 18192 1 302 . 1 1 27 27 LEU CD2 C 13 23.5397 0.3 . 2 . . . . 27 LEU CD2 . 18192 1 303 . 1 1 27 27 LEU N N 15 127.3321 0.2 . 1 . . . . 27 LEU N . 18192 1 304 . 1 1 28 28 ALA H H 1 8.6719 0.05 . 1 . . . . 28 ALA H . 18192 1 305 . 1 1 28 28 ALA HA H 1 4.5675 0.05 . 1 . . . . 28 ALA HA . 18192 1 306 . 1 1 28 28 ALA HB1 H 1 1.4709 0.05 . 1 . . . . 28 ALA HB1 . 18192 1 307 . 1 1 28 28 ALA HB2 H 1 1.4709 0.05 . 1 . . . . 28 ALA HB1 . 18192 1 308 . 1 1 28 28 ALA HB3 H 1 1.4709 0.05 . 1 . . . . 28 ALA HB1 . 18192 1 309 . 1 1 28 28 ALA C C 13 179.6663 0.3 . 1 . . . . 28 ALA C . 18192 1 310 . 1 1 28 28 ALA CA C 13 52.2054 0.3 . 1 . . . . 28 ALA CA . 18192 1 311 . 1 1 28 28 ALA CB C 13 18.8522 0.3 . 1 . . . . 28 ALA CB . 18192 1 312 . 1 1 28 28 ALA N N 15 126.4966 0.2 . 1 . . . . 28 ALA N . 18192 1 313 . 1 1 29 29 LEU H H 1 8.5256 0.05 . 1 . . . . 29 LEU H . 18192 1 314 . 1 1 29 29 LEU HA H 1 4.1152 0.05 . 1 . . . . 29 LEU HA . 18192 1 315 . 1 1 29 29 LEU HB2 H 1 1.8359 0.05 . 2 . . . . 29 LEU HB2 . 18192 1 316 . 1 1 29 29 LEU HB3 H 1 1.7877 0.05 . 2 . . . . 29 LEU HB3 . 18192 1 317 . 1 1 29 29 LEU HG H 1 1.7934 0.05 . 1 . . . . 29 LEU HG . 18192 1 318 . 1 1 29 29 LEU HD11 H 1 1.0356 0.05 . 2 . . . . 29 LEU HD11 . 18192 1 319 . 1 1 29 29 LEU HD12 H 1 1.0356 0.05 . 2 . . . . 29 LEU HD11 . 18192 1 320 . 1 1 29 29 LEU HD13 H 1 1.0356 0.05 . 2 . . . . 29 LEU HD11 . 18192 1 321 . 1 1 29 29 LEU HD21 H 1 0.9686 0.05 . 2 . . . . 29 LEU HD21 . 18192 1 322 . 1 1 29 29 LEU HD22 H 1 0.9686 0.05 . 2 . . . . 29 LEU HD21 . 18192 1 323 . 1 1 29 29 LEU HD23 H 1 0.9686 0.05 . 2 . . . . 29 LEU HD21 . 18192 1 324 . 1 1 29 29 LEU C C 13 179.3318 0.3 . 1 . . . . 29 LEU C . 18192 1 325 . 1 1 29 29 LEU CA C 13 58.1176 0.3 . 1 . . . . 29 LEU CA . 18192 1 326 . 1 1 29 29 LEU CB C 13 41.7107 0.3 . 1 . . . . 29 LEU CB . 18192 1 327 . 1 1 29 29 LEU CG C 13 27.0971 0.3 . 1 . . . . 29 LEU CG . 18192 1 328 . 1 1 29 29 LEU CD1 C 13 25.0030 0.3 . 2 . . . . 29 LEU CD1 . 18192 1 329 . 1 1 29 29 LEU CD2 C 13 23.7456 0.3 . 2 . . . . 29 LEU CD2 . 18192 1 330 . 1 1 29 29 LEU N N 15 123.8946 0.2 . 1 . . . . 29 LEU N . 18192 1 331 . 1 1 30 30 THR H H 1 7.6564 0.05 . 1 . . . . 30 THR H . 18192 1 332 . 1 1 30 30 THR HA H 1 4.3418 0.05 . 1 . . . . 30 THR HA . 18192 1 333 . 1 1 30 30 THR HB H 1 4.5982 0.05 . 1 . . . . 30 THR HB . 18192 1 334 . 1 1 30 30 THR HG21 H 1 1.4259 0.05 . 1 . . . . 30 THR HG21 . 18192 1 335 . 1 1 30 30 THR HG22 H 1 1.4259 0.05 . 1 . . . . 30 THR HG21 . 18192 1 336 . 1 1 30 30 THR HG23 H 1 1.4259 0.05 . 1 . . . . 30 THR HG21 . 18192 1 337 . 1 1 30 30 THR C C 13 174.9897 0.3 . 1 . . . . 30 THR C . 18192 1 338 . 1 1 30 30 THR CA C 13 62.6290 0.3 . 1 . . . . 30 THR CA . 18192 1 339 . 1 1 30 30 THR CB C 13 69.1413 0.3 . 1 . . . . 30 THR CB . 18192 1 340 . 1 1 30 30 THR CG2 C 13 22.3157 0.3 . 1 . . . . 30 THR CG2 . 18192 1 341 . 1 1 30 30 THR N N 15 107.5869 0.2 . 1 . . . . 30 THR N . 18192 1 342 . 1 1 31 31 ALA H H 1 8.1438 0.05 . 1 . . . . 31 ALA H . 18192 1 343 . 1 1 31 31 ALA HA H 1 4.4060 0.05 . 1 . . . . 31 ALA HA . 18192 1 344 . 1 1 31 31 ALA HB1 H 1 1.7054 0.05 . 1 . . . . 31 ALA HB1 . 18192 1 345 . 1 1 31 31 ALA HB2 H 1 1.7054 0.05 . 1 . . . . 31 ALA HB1 . 18192 1 346 . 1 1 31 31 ALA HB3 H 1 1.7054 0.05 . 1 . . . . 31 ALA HB1 . 18192 1 347 . 1 1 31 31 ALA C C 13 178.6202 0.3 . 1 . . . . 31 ALA C . 18192 1 348 . 1 1 31 31 ALA CA C 13 52.1915 0.3 . 1 . . . . 31 ALA CA . 18192 1 349 . 1 1 31 31 ALA CB C 13 21.2999 0.3 . 1 . . . . 31 ALA CB . 18192 1 350 . 1 1 31 31 ALA N N 15 126.3193 0.2 . 1 . . . . 31 ALA N . 18192 1 351 . 1 1 32 32 ILE H H 1 7.5262 0.05 . 1 . . . . 32 ILE H . 18192 1 352 . 1 1 32 32 ILE HA H 1 3.9988 0.05 . 1 . . . . 32 ILE HA . 18192 1 353 . 1 1 32 32 ILE HB H 1 1.9915 0.05 . 1 . . . . 32 ILE HB . 18192 1 354 . 1 1 32 32 ILE HG12 H 1 1.8294 0.05 . 2 . . . . 32 ILE HG12 . 18192 1 355 . 1 1 32 32 ILE HG13 H 1 1.3896 0.05 . 2 . . . . 32 ILE HG13 . 18192 1 356 . 1 1 32 32 ILE HG21 H 1 1.1844 0.05 . 1 . . . . 32 ILE HG21 . 18192 1 357 . 1 1 32 32 ILE HG22 H 1 1.1844 0.05 . 1 . . . . 32 ILE HG21 . 18192 1 358 . 1 1 32 32 ILE HG23 H 1 1.1844 0.05 . 1 . . . . 32 ILE HG21 . 18192 1 359 . 1 1 32 32 ILE HD11 H 1 1.0785 0.05 . 1 . . . . 32 ILE HD11 . 18192 1 360 . 1 1 32 32 ILE HD12 H 1 1.0785 0.05 . 1 . . . . 32 ILE HD11 . 18192 1 361 . 1 1 32 32 ILE HD13 H 1 1.0785 0.05 . 1 . . . . 32 ILE HD11 . 18192 1 362 . 1 1 32 32 ILE C C 13 176.4774 0.3 . 1 . . . . 32 ILE C . 18192 1 363 . 1 1 32 32 ILE CA C 13 65.1268 0.3 . 1 . . . . 32 ILE CA . 18192 1 364 . 1 1 32 32 ILE CB C 13 36.3727 0.3 . 1 . . . . 32 ILE CB . 18192 1 365 . 1 1 32 32 ILE CG1 C 13 29.2821 0.3 . 1 . . . . 32 ILE CG1 . 18192 1 366 . 1 1 32 32 ILE CG2 C 13 17.7470 0.3 . 1 . . . . 32 ILE CG2 . 18192 1 367 . 1 1 32 32 ILE CD1 C 13 14.0149 0.3 . 1 . . . . 32 ILE CD1 . 18192 1 368 . 1 1 32 32 ILE N N 15 122.3316 0.2 . 1 . . . . 32 ILE N . 18192 1 369 . 1 1 33 33 VAL H H 1 8.2947 0.05 . 1 . . . . 33 VAL H . 18192 1 370 . 1 1 33 33 VAL HA H 1 3.8498 0.05 . 1 . . . . 33 VAL HA . 18192 1 371 . 1 1 33 33 VAL HB H 1 2.1764 0.05 . 1 . . . . 33 VAL HB . 18192 1 372 . 1 1 33 33 VAL HG11 H 1 1.2114 0.05 . 2 . . . . 33 VAL HG11 . 18192 1 373 . 1 1 33 33 VAL HG12 H 1 1.2114 0.05 . 2 . . . . 33 VAL HG11 . 18192 1 374 . 1 1 33 33 VAL HG13 H 1 1.2114 0.05 . 2 . . . . 33 VAL HG11 . 18192 1 375 . 1 1 33 33 VAL HG21 H 1 1.0880 0.05 . 2 . . . . 33 VAL HG21 . 18192 1 376 . 1 1 33 33 VAL HG22 H 1 1.0880 0.05 . 2 . . . . 33 VAL HG21 . 18192 1 377 . 1 1 33 33 VAL HG23 H 1 1.0880 0.05 . 2 . . . . 33 VAL HG21 . 18192 1 378 . 1 1 33 33 VAL C C 13 178.3657 0.3 . 1 . . . . 33 VAL C . 18192 1 379 . 1 1 33 33 VAL CA C 13 67.4178 0.3 . 1 . . . . 33 VAL CA . 18192 1 380 . 1 1 33 33 VAL CB C 13 31.2871 0.3 . 1 . . . . 33 VAL CB . 18192 1 381 . 1 1 33 33 VAL CG1 C 13 23.0117 0.3 . 2 . . . . 33 VAL CG1 . 18192 1 382 . 1 1 33 33 VAL CG2 C 13 21.1713 0.3 . 2 . . . . 33 VAL CG2 . 18192 1 383 . 1 1 33 33 VAL N N 15 123.6282 0.2 . 1 . . . . 33 VAL N . 18192 1 384 . 1 1 34 34 ASP H H 1 8.4140 0.05 . 1 . . . . 34 ASP H . 18192 1 385 . 1 1 34 34 ASP HA H 1 4.5583 0.05 . 1 . . . . 34 ASP HA . 18192 1 386 . 1 1 34 34 ASP HB2 H 1 2.9458 0.05 . 2 . . . . 34 ASP HB2 . 18192 1 387 . 1 1 34 34 ASP HB3 H 1 2.7623 0.05 . 2 . . . . 34 ASP HB3 . 18192 1 388 . 1 1 34 34 ASP CA C 13 57.2874 0.3 . 1 . . . . 34 ASP CA . 18192 1 389 . 1 1 34 34 ASP CB C 13 42.3361 0.3 . 1 . . . . 34 ASP CB . 18192 1 390 . 1 1 34 34 ASP N N 15 121.3744 0.2 . 1 . . . . 34 ASP N . 18192 1 391 . 1 1 35 35 HIS H H 1 8.3976 0.05 . 1 . . . . 35 HIS H . 18192 1 392 . 1 1 35 35 HIS HA H 1 4.3094 0.05 . 1 . . . . 35 HIS HA . 18192 1 393 . 1 1 35 35 HIS HB2 H 1 3.7477 0.05 . 2 . . . . 35 HIS HB2 . 18192 1 394 . 1 1 35 35 HIS HB3 H 1 3.4044 0.05 . 2 . . . . 35 HIS HB3 . 18192 1 395 . 1 1 35 35 HIS HD1 H 1 7.1472 0.05 . 1 . . . . 35 HIS HD1 . 18192 1 396 . 1 1 35 35 HIS HE1 H 1 8.0013 0.05 . 1 . . . . 35 HIS HE1 . 18192 1 397 . 1 1 35 35 HIS C C 13 177.2967 0.3 . 1 . . . . 35 HIS C . 18192 1 398 . 1 1 35 35 HIS CA C 13 60.5845 0.3 . 1 . . . . 35 HIS CA . 18192 1 399 . 1 1 35 35 HIS CB C 13 28.9108 0.3 . 1 . . . . 35 HIS CB . 18192 1 400 . 1 1 35 35 HIS N N 15 119.9599 0.2 . 1 . . . . 35 HIS N . 18192 1 401 . 1 1 35 35 HIS ND1 N 15 218.4424 0.2 . 1 . . . . 35 HIS ND1 . 18192 1 402 . 1 1 35 35 HIS NE2 N 15 172.4578 0.2 . 1 . . . . 35 HIS NE2 . 18192 1 403 . 1 1 36 36 LEU H H 1 8.7431 0.05 . 1 . . . . 36 LEU H . 18192 1 404 . 1 1 36 36 LEU HA H 1 4.1152 0.05 . 1 . . . . 36 LEU HA . 18192 1 405 . 1 1 36 36 LEU HB2 H 1 2.1414 0.05 . 2 . . . . 36 LEU HB2 . 18192 1 406 . 1 1 36 36 LEU HB3 H 1 1.7108 0.05 . 2 . . . . 36 LEU HB3 . 18192 1 407 . 1 1 36 36 LEU HG H 1 1.7814 0.05 . 1 . . . . 36 LEU HG . 18192 1 408 . 1 1 36 36 LEU HD11 H 1 1.1427 0.05 . 2 . . . . 36 LEU HD11 . 18192 1 409 . 1 1 36 36 LEU HD12 H 1 1.1427 0.05 . 2 . . . . 36 LEU HD11 . 18192 1 410 . 1 1 36 36 LEU HD13 H 1 1.1427 0.05 . 2 . . . . 36 LEU HD11 . 18192 1 411 . 1 1 36 36 LEU HD21 H 1 1.2437 0.05 . 2 . . . . 36 LEU HD21 . 18192 1 412 . 1 1 36 36 LEU HD22 H 1 1.2437 0.05 . 2 . . . . 36 LEU HD21 . 18192 1 413 . 1 1 36 36 LEU HD23 H 1 1.2437 0.05 . 2 . . . . 36 LEU HD21 . 18192 1 414 . 1 1 36 36 LEU C C 13 179.8979 0.3 . 1 . . . . 36 LEU C . 18192 1 415 . 1 1 36 36 LEU CA C 13 58.1176 0.3 . 1 . . . . 36 LEU CA . 18192 1 416 . 1 1 36 36 LEU CB C 13 42.4565 0.3 . 1 . . . . 36 LEU CB . 18192 1 417 . 1 1 36 36 LEU CG C 13 27.3271 0.3 . 1 . . . . 36 LEU CG . 18192 1 418 . 1 1 36 36 LEU CD1 C 13 26.0922 0.3 . 2 . . . . 36 LEU CD1 . 18192 1 419 . 1 1 36 36 LEU CD2 C 13 24.2041 0.3 . 2 . . . . 36 LEU CD2 . 18192 1 420 . 1 1 36 36 LEU N N 15 121.8214 0.2 . 1 . . . . 36 LEU N . 18192 1 421 . 1 1 37 37 GLU H H 1 8.4260 0.05 . 1 . . . . 37 GLU H . 18192 1 422 . 1 1 37 37 GLU HA H 1 4.1904 0.05 . 1 . . . . 37 GLU HA . 18192 1 423 . 1 1 37 37 GLU HB2 H 1 2.1618 0.05 . 2 . . . . 37 GLU HB2 . 18192 1 424 . 1 1 37 37 GLU HB3 H 1 2.0770 0.05 . 2 . . . . 37 GLU HB3 . 18192 1 425 . 1 1 37 37 GLU HG2 H 1 2.5248 0.05 . 2 . . . . 37 GLU HG2 . 18192 1 426 . 1 1 37 37 GLU HG3 H 1 2.3393 0.05 . 2 . . . . 37 GLU HG3 . 18192 1 427 . 1 1 37 37 GLU CA C 13 59.0978 0.3 . 1 . . . . 37 GLU CA . 18192 1 428 . 1 1 37 37 GLU CB C 13 30.6067 0.3 . 1 . . . . 37 GLU CB . 18192 1 429 . 1 1 37 37 GLU CG C 13 36.6345 0.3 . 1 . . . . 37 GLU CG . 18192 1 430 . 1 1 37 37 GLU N N 15 119.7790 0.2 . 1 . . . . 37 GLU N . 18192 1 431 . 1 1 38 38 ASN H H 1 7.8582 0.05 . 1 . . . . 38 ASN H . 18192 1 432 . 1 1 38 38 ASN HB3 H 1 2.4086 0.05 . 2 . . . . 38 ASN HB3 . 18192 1 433 . 1 1 38 38 ASN HD21 H 1 7.7901 0.05 . 2 . . . . 38 ASN HD21 . 18192 1 434 . 1 1 38 38 ASN HD22 H 1 7.2324 0.05 . 2 . . . . 38 ASN HD22 . 18192 1 435 . 1 1 38 38 ASN C C 13 176.8308 0.3 . 1 . . . . 38 ASN C . 18192 1 436 . 1 1 38 38 ASN CA C 13 54.0687 0.3 . 1 . . . . 38 ASN CA . 18192 1 437 . 1 1 38 38 ASN CB C 13 41.3740 0.3 . 1 . . . . 38 ASN CB . 18192 1 438 . 1 1 38 38 ASN N N 15 113.8674 0.2 . 1 . . . . 38 ASN N . 18192 1 439 . 1 1 38 38 ASN ND2 N 15 118.7732 0.2 . 1 . . . . 38 ASN ND2 . 18192 1 440 . 1 1 39 39 HIS H H 1 8.0939 0.05 . 1 . . . . 39 HIS H . 18192 1 441 . 1 1 39 39 HIS HA H 1 4.9795 0.05 . 1 . . . . 39 HIS HA . 18192 1 442 . 1 1 39 39 HIS HB2 H 1 3.5094 0.05 . 2 . . . . 39 HIS HB2 . 18192 1 443 . 1 1 39 39 HIS HB3 H 1 3.0118 0.05 . 2 . . . . 39 HIS HB3 . 18192 1 444 . 1 1 39 39 HIS HD2 H 1 7.1684 0.05 . 1 . . . . 39 HIS HD2 . 18192 1 445 . 1 1 39 39 HIS HE1 H 1 8.1905 0.05 . 1 . . . . 39 HIS HE1 . 18192 1 446 . 1 1 39 39 HIS C C 13 174.1976 0.3 . 1 . . . . 39 HIS C . 18192 1 447 . 1 1 39 39 HIS CA C 13 56.2962 0.3 . 1 . . . . 39 HIS CA . 18192 1 448 . 1 1 39 39 HIS CB C 13 32.3667 0.3 . 1 . . . . 39 HIS CB . 18192 1 449 . 1 1 39 39 HIS N N 15 118.3938 0.2 . 1 . . . . 39 HIS N . 18192 1 450 . 1 1 39 39 HIS ND1 N 15 194.4283 0.2 . 1 . . . . 39 HIS ND1 . 18192 1 451 . 1 1 39 39 HIS NE2 N 15 175.0535 0.2 . 1 . . . . 39 HIS NE2 . 18192 1 452 . 1 1 40 40 CYS H H 1 8.0116 0.05 . 1 . . . . 40 CYS H . 18192 1 453 . 1 1 40 40 CYS HA H 1 3.8537 0.05 . 1 . . . . 40 CYS HA . 18192 1 454 . 1 1 40 40 CYS HB2 H 1 2.8579 0.05 . 2 . . . . 40 CYS HB2 . 18192 1 455 . 1 1 40 40 CYS C C 13 176.0377 0.3 . 1 . . . . 40 CYS C . 18192 1 456 . 1 1 40 40 CYS CA C 13 61.5304 0.3 . 1 . . . . 40 CYS CA . 18192 1 457 . 1 1 40 40 CYS CB C 13 29.5522 0.3 . 1 . . . . 40 CYS CB . 18192 1 458 . 1 1 40 40 CYS N N 15 124.4024 0.2 . 1 . . . . 40 CYS N . 18192 1 459 . 1 1 41 41 ALA H H 1 8.8249 0.05 . 1 . . . . 41 ALA H . 18192 1 460 . 1 1 41 41 ALA HA H 1 4.5209 0.05 . 1 . . . . 41 ALA HA . 18192 1 461 . 1 1 41 41 ALA HB1 H 1 1.6009 0.05 . 1 . . . . 41 ALA HB1 . 18192 1 462 . 1 1 41 41 ALA HB2 H 1 1.6009 0.05 . 1 . . . . 41 ALA HB1 . 18192 1 463 . 1 1 41 41 ALA HB3 H 1 1.6009 0.05 . 1 . . . . 41 ALA HB1 . 18192 1 464 . 1 1 41 41 ALA C C 13 178.3633 0.3 . 1 . . . . 41 ALA C . 18192 1 465 . 1 1 41 41 ALA CA C 13 53.0102 0.3 . 1 . . . . 41 ALA CA . 18192 1 466 . 1 1 41 41 ALA CB C 13 19.5139 0.3 . 1 . . . . 41 ALA CB . 18192 1 467 . 1 1 41 41 ALA N N 15 132.2163 0.2 . 1 . . . . 41 ALA N . 18192 1 468 . 1 1 42 42 GLY H H 1 8.8793 0.05 . 1 . . . . 42 GLY H . 18192 1 469 . 1 1 42 42 GLY HA2 H 1 4.0320 0.05 . 2 . . . . 42 GLY HA2 . 18192 1 470 . 1 1 42 42 GLY HA3 H 1 3.9922 0.05 . 2 . . . . 42 GLY HA3 . 18192 1 471 . 1 1 42 42 GLY C C 13 173.2343 0.3 . 1 . . . . 42 GLY C . 18192 1 472 . 1 1 42 42 GLY CA C 13 45.0716 0.3 . 1 . . . . 42 GLY CA . 18192 1 473 . 1 1 42 42 GLY N N 15 111.3881 0.2 . 1 . . . . 42 GLY N . 18192 1 474 . 1 1 43 43 ALA H H 1 8.1999 0.05 . 1 . . . . 43 ALA H . 18192 1 475 . 1 1 43 43 ALA HA H 1 4.5675 0.05 . 1 . . . . 43 ALA HA . 18192 1 476 . 1 1 43 43 ALA HB1 H 1 1.5663 0.05 . 1 . . . . 43 ALA HB1 . 18192 1 477 . 1 1 43 43 ALA HB2 H 1 1.5663 0.05 . 1 . . . . 43 ALA HB1 . 18192 1 478 . 1 1 43 43 ALA HB3 H 1 1.5663 0.05 . 1 . . . . 43 ALA HB1 . 18192 1 479 . 1 1 43 43 ALA C C 13 177.1649 0.3 . 1 . . . . 43 ALA C . 18192 1 480 . 1 1 43 43 ALA CA C 13 52.6254 0.3 . 1 . . . . 43 ALA CA . 18192 1 481 . 1 1 43 43 ALA CB C 13 19.9636 0.3 . 1 . . . . 43 ALA CB . 18192 1 482 . 1 1 43 43 ALA N N 15 125.7891 0.2 . 1 . . . . 43 ALA N . 18192 1 483 . 1 1 44 44 SER H H 1 8.1312 0.05 . 1 . . . . 44 SER H . 18192 1 484 . 1 1 44 44 SER HA H 1 4.4194 0.05 . 1 . . . . 44 SER HA . 18192 1 485 . 1 1 44 44 SER HB3 H 1 3.9882 0.05 . 2 . . . . 44 SER HB3 . 18192 1 486 . 1 1 44 44 SER C C 13 178.9531 0.3 . 1 . . . . 44 SER C . 18192 1 487 . 1 1 44 44 SER CA C 13 60.2508 0.3 . 1 . . . . 44 SER CA . 18192 1 488 . 1 1 44 44 SER CB C 13 64.1255 0.3 . 1 . . . . 44 SER CB . 18192 1 489 . 1 1 44 44 SER N N 15 123.2298 0.2 . 1 . . . . 44 SER N . 18192 1 stop_ save_