################################### # 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 30271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 30271 1 2 '3D HNCO' . . . 30271 1 3 '3D C(CO)NH' . . . 30271 1 4 '3D CBCA(CO)NH' . . . 30271 1 5 '3D HNCA' . . . 30271 1 6 '2D 1H-13C HSQC aromatic' . . . 30271 1 7 '3D 15N HSQC-NOESY' . . . 30271 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.842 0.02 0.570 1 . . . . A 1 GLY HA2 . 30271 1 2 . 1 1 1 1 GLY HA3 H 1 3.842 0.02 0.570 1 . . . . A 1 GLY HA3 . 30271 1 3 . 1 1 1 1 GLY CA C 13 43.884 0.20 0.570 1 . . . . A 1 GLY CA . 30271 1 4 . 1 1 2 2 SER HA H 1 4.504 0.02 1.000 1 . . . . A 2 SER HA . 30271 1 5 . 1 1 2 2 SER HB2 H 1 3.804 0.02 1.000 2 . . . . A 2 SER HB2 . 30271 1 6 . 1 1 2 2 SER HB3 H 1 3.804 0.02 1.000 2 . . . . A 2 SER HB3 . 30271 1 7 . 1 1 2 2 SER C C 13 174.587 0.20 1.000 1 . . . . A 2 SER C . 30271 1 8 . 1 1 2 2 SER CA C 13 58.220 0.20 0.534 1 . . . . A 2 SER CA . 30271 1 9 . 1 1 2 2 SER CB C 13 64.119 0.20 1.000 1 . . . . A 2 SER CB . 30271 1 10 . 1 1 3 3 VAL H H 1 8.317 0.02 1.000 1 . . . . A 3 VAL H . 30271 1 11 . 1 1 3 3 VAL HA H 1 4.069 0.02 1.000 1 . . . . A 3 VAL HA . 30271 1 12 . 1 1 3 3 VAL HB H 1 2.014 0.02 1.000 1 . . . . A 3 VAL HB . 30271 1 13 . 1 1 3 3 VAL HG11 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG11 . 30271 1 14 . 1 1 3 3 VAL HG12 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG12 . 30271 1 15 . 1 1 3 3 VAL HG13 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG13 . 30271 1 16 . 1 1 3 3 VAL HG21 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG21 . 30271 1 17 . 1 1 3 3 VAL HG22 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG22 . 30271 1 18 . 1 1 3 3 VAL HG23 H 1 0.873 0.02 1.000 1 . . . . A 3 VAL HG23 . 30271 1 19 . 1 1 3 3 VAL C C 13 176.155 0.20 1.000 1 . . . . A 3 VAL C . 30271 1 20 . 1 1 3 3 VAL CA C 13 62.537 0.20 1.000 1 . . . . A 3 VAL CA . 30271 1 21 . 1 1 3 3 VAL CB C 13 32.722 0.20 1.000 1 . . . . A 3 VAL CB . 30271 1 22 . 1 1 3 3 VAL CG1 C 13 21.272 0.20 0.692 2 . . . . A 3 VAL CG1 . 30271 1 23 . 1 1 3 3 VAL CG2 C 13 21.272 0.20 0.210 2 . . . . A 3 VAL CG2 . 30271 1 24 . 1 1 3 3 VAL N N 15 122.402 0.20 1.000 1 . . . . A 3 VAL N . 30271 1 25 . 1 1 4 4 LYS H H 1 8.420 0.02 1.000 1 . . . . A 4 LYS H . 30271 1 26 . 1 1 4 4 LYS HA H 1 4.192 0.02 1.000 1 . . . . A 4 LYS HA . 30271 1 27 . 1 1 4 4 LYS HB2 H 1 1.684 0.02 0.686 2 . . . . A 4 LYS HB2 . 30271 1 28 . 1 1 4 4 LYS HG2 H 1 1.342 0.02 0.685 2 . . . . A 4 LYS HG2 . 30271 1 29 . 1 1 4 4 LYS HG3 H 1 1.342 0.02 0.685 2 . . . . A 4 LYS HG3 . 30271 1 30 . 1 1 4 4 LYS C C 13 176.296 0.20 1.000 1 . . . . A 4 LYS C . 30271 1 31 . 1 1 4 4 LYS CA C 13 56.507 0.20 0.746 1 . . . . A 4 LYS CA . 30271 1 32 . 1 1 4 4 LYS CB C 13 32.940 0.20 1.000 1 . . . . A 4 LYS CB . 30271 1 33 . 1 1 4 4 LYS CG C 13 24.884 0.20 0.067 1 . . . . A 4 LYS CG . 30271 1 34 . 1 1 4 4 LYS N N 15 125.837 0.20 1.000 1 . . . . A 4 LYS N . 30271 1 35 . 1 1 5 5 LYS H H 1 8.338 0.02 1.000 1 . . . . A 5 LYS H . 30271 1 36 . 1 1 5 5 LYS HA H 1 4.253 0.02 1.000 1 . . . . A 5 LYS HA . 30271 1 37 . 1 1 5 5 LYS HB2 H 1 1.716 0.02 1.000 2 . . . . A 5 LYS HB2 . 30271 1 38 . 1 1 5 5 LYS HB3 H 1 1.716 0.02 1.000 2 . . . . A 5 LYS HB3 . 30271 1 39 . 1 1 5 5 LYS HG2 H 1 1.352 0.02 1.000 2 . . . . A 5 LYS HG2 . 30271 1 40 . 1 1 5 5 LYS HG3 H 1 1.352 0.02 1.000 2 . . . . A 5 LYS HG3 . 30271 1 41 . 1 1 5 5 LYS HD2 H 1 0.924 0.02 1.000 2 . . . . A 5 LYS HD2 . 30271 1 42 . 1 1 5 5 LYS C C 13 176.422 0.20 1.000 1 . . . . A 5 LYS C . 30271 1 43 . 1 1 5 5 LYS CA C 13 56.427 0.20 1.000 1 . . . . A 5 LYS CA . 30271 1 44 . 1 1 5 5 LYS CB C 13 33.240 0.20 1.000 1 . . . . A 5 LYS CB . 30271 1 45 . 1 1 5 5 LYS CG C 13 24.885 0.20 0.826 1 . . . . A 5 LYS CG . 30271 1 46 . 1 1 5 5 LYS N N 15 123.031 0.20 1.000 1 . . . . A 5 LYS N . 30271 1 47 . 1 1 6 6 LEU H H 1 8.394 0.02 1.000 1 . . . . A 6 LEU H . 30271 1 48 . 1 1 6 6 LEU HA H 1 4.261 0.02 1.000 1 . . . . A 6 LEU HA . 30271 1 49 . 1 1 6 6 LEU HB2 H 1 1.595 0.02 1.000 2 . . . . A 6 LEU HB2 . 30271 1 50 . 1 1 6 6 LEU HB3 H 1 1.595 0.02 1.000 2 . . . . A 6 LEU HB3 . 30271 1 51 . 1 1 6 6 LEU HD11 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD11 . 30271 1 52 . 1 1 6 6 LEU HD12 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD12 . 30271 1 53 . 1 1 6 6 LEU HD13 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD13 . 30271 1 54 . 1 1 6 6 LEU HD21 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD21 . 30271 1 55 . 1 1 6 6 LEU HD22 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD22 . 30271 1 56 . 1 1 6 6 LEU HD23 H 1 0.938 0.02 1.000 2 . . . . A 6 LEU HD23 . 30271 1 57 . 1 1 6 6 LEU C C 13 177.383 0.20 1.000 1 . . . . A 6 LEU C . 30271 1 58 . 1 1 6 6 LEU CA C 13 55.080 0.20 1.000 1 . . . . A 6 LEU CA . 30271 1 59 . 1 1 6 6 LEU CB C 13 42.853 0.20 1.000 1 . . . . A 6 LEU CB . 30271 1 60 . 1 1 6 6 LEU N N 15 123.979 0.20 1.000 1 . . . . A 6 LEU N . 30271 1 61 . 1 1 7 7 ASN H H 1 8.550 0.02 1.000 1 . . . . A 7 ASN H . 30271 1 62 . 1 1 7 7 ASN HA H 1 4.520 0.02 1.000 1 . . . . A 7 ASN HA . 30271 1 63 . 1 1 7 7 ASN HB2 H 1 2.844 0.02 0.818 2 . . . . A 7 ASN HB2 . 30271 1 64 . 1 1 7 7 ASN HB3 H 1 2.844 0.02 0.711 2 . . . . A 7 ASN HB3 . 30271 1 65 . 1 1 7 7 ASN C C 13 176.158 0.20 1.000 1 . . . . A 7 ASN C . 30271 1 66 . 1 1 7 7 ASN CA C 13 54.476 0.20 0.542 1 . . . . A 7 ASN CA . 30271 1 67 . 1 1 7 7 ASN CB C 13 38.708 0.20 1.000 1 . . . . A 7 ASN CB . 30271 1 68 . 1 1 7 7 ASN N N 15 118.782 0.20 1.000 1 . . . . A 7 ASN N . 30271 1 69 . 1 1 8 8 ASP H H 1 8.647 0.02 1.000 1 . . . . A 8 ASP H . 30271 1 70 . 1 1 8 8 ASP HA H 1 4.537 0.02 1.000 1 . . . . A 8 ASP HA . 30271 1 71 . 1 1 8 8 ASP HB2 H 1 2.579 0.02 1.000 2 . . . . A 8 ASP HB2 . 30271 1 72 . 1 1 8 8 ASP HB3 H 1 2.579 0.02 0.714 2 . . . . A 8 ASP HB3 . 30271 1 73 . 1 1 8 8 ASP C C 13 177.162 0.20 1.000 1 . . . . A 8 ASP C . 30271 1 74 . 1 1 8 8 ASP CA C 13 56.618 0.20 0.594 1 . . . . A 8 ASP CA . 30271 1 75 . 1 1 8 8 ASP CB C 13 41.005 0.20 1.000 1 . . . . A 8 ASP CB . 30271 1 76 . 1 1 8 8 ASP N N 15 120.026 0.20 1.000 1 . . . . A 8 ASP N . 30271 1 77 . 1 1 9 9 GLU H H 1 8.370 0.02 1.000 1 . . . . A 9 GLU H . 30271 1 78 . 1 1 9 9 GLU HA H 1 4.537 0.02 1.000 1 . . . . A 9 GLU HA . 30271 1 79 . 1 1 9 9 GLU HB2 H 1 2.579 0.02 1.000 2 . . . . A 9 GLU HB2 . 30271 1 80 . 1 1 9 9 GLU HB3 H 1 2.579 0.02 1.000 2 . . . . A 9 GLU HB3 . 30271 1 81 . 1 1 9 9 GLU CA C 13 59.477 0.20 0.666 1 . . . . A 9 GLU CA . 30271 1 82 . 1 1 9 9 GLU CB C 13 30.309 0.20 0.375 1 . . . . A 9 GLU CB . 30271 1 83 . 1 1 9 9 GLU CG C 13 36.390 0.20 0.081 1 . . . . A 9 GLU CG . 30271 1 84 . 1 1 9 9 GLU N N 15 120.770 0.20 1.000 1 . . . . A 9 GLU N . 30271 1 85 . 1 1 10 10 VAL HA H 1 3.859 0.02 1.000 1 . . . . A 10 VAL HA . 30271 1 86 . 1 1 10 10 VAL HB H 1 2.186 0.02 1.000 1 . . . . A 10 VAL HB . 30271 1 87 . 1 1 10 10 VAL HG11 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG11 . 30271 1 88 . 1 1 10 10 VAL HG12 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG12 . 30271 1 89 . 1 1 10 10 VAL HG13 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG13 . 30271 1 90 . 1 1 10 10 VAL HG21 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG21 . 30271 1 91 . 1 1 10 10 VAL HG22 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG22 . 30271 1 92 . 1 1 10 10 VAL HG23 H 1 1.064 0.02 1.000 1 . . . . A 10 VAL HG23 . 30271 1 93 . 1 1 10 10 VAL C C 13 178.427 0.20 0.980 1 . . . . A 10 VAL C . 30271 1 94 . 1 1 10 10 VAL CA C 13 65.944 0.20 1.000 1 . . . . A 10 VAL CA . 30271 1 95 . 1 1 10 10 VAL CB C 13 31.768 0.20 1.000 1 . . . . A 10 VAL CB . 30271 1 96 . 1 1 10 10 VAL CG1 C 13 22.650 0.20 0.503 2 . . . . A 10 VAL CG1 . 30271 1 97 . 1 1 10 10 VAL CG2 C 13 22.650 0.20 0.363 2 . . . . A 10 VAL CG2 . 30271 1 98 . 1 1 11 11 ALA H H 1 7.879 0.02 0.980 1 . . . . A 11 ALA H . 30271 1 99 . 1 1 11 11 ALA HA H 1 4.204 0.02 1.000 1 . . . . A 11 ALA HA . 30271 1 100 . 1 1 11 11 ALA HB1 H 1 1.626 0.02 1.000 1 . . . . A 11 ALA HB1 . 30271 1 101 . 1 1 11 11 ALA HB2 H 1 1.626 0.02 1.000 1 . . . . A 11 ALA HB2 . 30271 1 102 . 1 1 11 11 ALA HB3 H 1 1.626 0.02 1.000 1 . . . . A 11 ALA HB3 . 30271 1 103 . 1 1 11 11 ALA C C 13 180.878 0.20 0.990 1 . . . . A 11 ALA C . 30271 1 104 . 1 1 11 11 ALA CA C 13 55.240 0.20 1.000 1 . . . . A 11 ALA CA . 30271 1 105 . 1 1 11 11 ALA CB C 13 17.990 0.20 1.000 1 . . . . A 11 ALA CB . 30271 1 106 . 1 1 11 11 ALA N N 15 123.206 0.20 0.980 1 . . . . A 11 ALA N . 30271 1 107 . 1 1 12 12 LEU H H 1 8.168 0.02 0.990 1 . . . . A 12 LEU H . 30271 1 108 . 1 1 12 12 LEU HA H 1 4.199 0.02 1.000 1 . . . . A 12 LEU HA . 30271 1 109 . 1 1 12 12 LEU HD11 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD11 . 30271 1 110 . 1 1 12 12 LEU HD12 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD12 . 30271 1 111 . 1 1 12 12 LEU HD13 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD13 . 30271 1 112 . 1 1 12 12 LEU HD21 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD21 . 30271 1 113 . 1 1 12 12 LEU HD22 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD22 . 30271 1 114 . 1 1 12 12 LEU HD23 H 1 0.819 0.02 0.152 2 . . . . A 12 LEU HD23 . 30271 1 115 . 1 1 12 12 LEU C C 13 177.600 0.20 0.990 1 . . . . A 12 LEU C . 30271 1 116 . 1 1 12 12 LEU CA C 13 58.272 0.20 1.000 1 . . . . A 12 LEU CA . 30271 1 117 . 1 1 12 12 LEU CB C 13 41.590 0.20 1.000 1 . . . . A 12 LEU CB . 30271 1 118 . 1 1 12 12 LEU CG C 13 27.490 0.20 1.000 1 . . . . A 12 LEU CG . 30271 1 119 . 1 1 12 12 LEU CD1 C 13 22.670 0.20 1.000 2 . . . . A 12 LEU CD1 . 30271 1 120 . 1 1 12 12 LEU CD2 C 13 22.670 0.20 1.000 2 . . . . A 12 LEU CD2 . 30271 1 121 . 1 1 12 12 LEU N N 15 118.187 0.20 0.990 1 . . . . A 12 LEU N . 30271 1 122 . 1 1 13 13 GLU H H 1 7.790 0.02 0.990 1 . . . . A 13 GLU H . 30271 1 123 . 1 1 13 13 GLU HB2 H 1 1.658 0.20 0.425 2 . . . . A 13 GLU HB2 . 30271 1 124 . 1 1 13 13 GLU HG2 H 1 2.208 0.20 0.425 2 . . . . A 13 GLU HG2 . 30271 1 125 . 1 1 13 13 GLU C C 13 180.183 0.20 0.453 1 . . . . A 13 GLU C . 30271 1 126 . 1 1 13 13 GLU CA C 13 59.802 0.20 0.453 1 . . . . A 13 GLU CA . 30271 1 127 . 1 1 13 13 GLU CB C 13 29.490 0.20 0.304 1 . . . . A 13 GLU CB . 30271 1 128 . 1 1 13 13 GLU CG C 13 35.880 0.20 0.304 1 . . . . A 13 GLU CG . 30271 1 129 . 1 1 13 13 GLU N N 15 120.620 0.20 0.990 1 . . . . A 13 GLU N . 30271 1 130 . 1 1 14 14 ARG H H 1 8.518 0.02 0.401 1 . . . . A 14 ARG H . 30271 1 131 . 1 1 14 14 ARG HA H 1 4.069 0.02 1.000 1 . . . . A 14 ARG HA . 30271 1 132 . 1 1 14 14 ARG HB2 H 1 2.153 0.02 0.804 2 . . . . A 14 ARG HB2 . 30271 1 133 . 1 1 14 14 ARG C C 13 180.419 0.20 0.991 1 . . . . A 14 ARG C . 30271 1 134 . 1 1 14 14 ARG CA C 13 58.176 0.20 1.000 1 . . . . A 14 ARG CA . 30271 1 135 . 1 1 14 14 ARG N N 15 121.156 0.20 0.401 1 . . . . A 14 ARG N . 30271 1 136 . 1 1 15 15 LEU H H 1 8.574 0.02 0.991 1 . . . . A 15 LEU H . 30271 1 137 . 1 1 15 15 LEU HA H 1 4.131 0.02 1.000 1 . . . . A 15 LEU HA . 30271 1 138 . 1 1 15 15 LEU C C 13 178.565 0.20 1.000 1 . . . . A 15 LEU C . 30271 1 139 . 1 1 15 15 LEU CA C 13 60.330 0.20 0.367 1 . . . . A 15 LEU CA . 30271 1 140 . 1 1 15 15 LEU CB C 13 41.730 0.20 1.000 1 . . . . A 15 LEU CB . 30271 1 141 . 1 1 15 15 LEU N N 15 123.694 0.20 0.991 1 . . . . A 15 LEU N . 30271 1 142 . 1 1 16 16 LYS H H 1 8.232 0.02 1.000 1 . . . . A 16 LYS H . 30271 1 143 . 1 1 16 16 LYS HA H 1 4.168 0.02 1.000 1 . . . . A 16 LYS HA . 30271 1 144 . 1 1 16 16 LYS HE2 H 1 2.723 0.02 1.000 2 . . . . A 16 LYS HE2 . 30271 1 145 . 1 1 16 16 LYS C C 13 177.969 0.20 1.000 1 . . . . A 16 LYS C . 30271 1 146 . 1 1 16 16 LYS CA C 13 56.219 0.20 1.000 1 . . . . A 16 LYS CA . 30271 1 147 . 1 1 16 16 LYS CB C 13 30.143 0.20 1.000 1 . . . . A 16 LYS CB . 30271 1 148 . 1 1 16 16 LYS N N 15 117.441 0.20 1.000 1 . . . . A 16 LYS N . 30271 1 149 . 1 1 17 17 ASN H H 1 8.063 0.02 1.000 1 . . . . A 17 ASN H . 30271 1 150 . 1 1 17 17 ASN HA H 1 4.492 0.02 1.000 1 . . . . A 17 ASN HA . 30271 1 151 . 1 1 17 17 ASN C C 13 179.026 0.20 0.990 1 . . . . A 17 ASN C . 30271 1 152 . 1 1 17 17 ASN CA C 13 59.470 0.20 0.659 1 . . . . A 17 ASN CA . 30271 1 153 . 1 1 17 17 ASN CB C 13 37.987 0.20 1.000 1 . . . . A 17 ASN CB . 30271 1 154 . 1 1 17 17 ASN N N 15 120.260 0.20 1.000 1 . . . . A 17 ASN N . 30271 1 155 . 1 1 18 18 GLU H H 1 7.927 0.02 0.990 1 . . . . A 18 GLU H . 30271 1 156 . 1 1 18 18 GLU HA H 1 4.231 0.02 1.000 1 . . . . A 18 GLU HA . 30271 1 157 . 1 1 18 18 GLU C C 13 178.708 0.20 0.990 1 . . . . A 18 GLU C . 30271 1 158 . 1 1 18 18 GLU CA C 13 59.380 0.20 1.000 1 . . . . A 18 GLU CA . 30271 1 159 . 1 1 18 18 GLU CB C 13 30.060 0.20 1.000 1 . . . . A 18 GLU CB . 30271 1 160 . 1 1 18 18 GLU N N 15 119.954 0.20 0.990 1 . . . . A 18 GLU N . 30271 1 161 . 1 1 19 19 ARG H H 1 7.796 0.02 0.990 1 . . . . A 19 ARG H . 30271 1 162 . 1 1 19 19 ARG HA H 1 4.059 0.20 0.135 1 . . . . A 19 ARG HA . 30271 1 163 . 1 1 19 19 ARG HB2 H 1 1.973 0.20 0.135 2 . . . . A 19 ARG HB2 . 30271 1 164 . 1 1 19 19 ARG HB3 H 1 2.021 0.20 0.135 2 . . . . A 19 ARG HB3 . 30271 1 165 . 1 1 19 19 ARG CA C 13 59.683 0.20 0.659 1 . . . . A 19 ARG CA . 30271 1 166 . 1 1 19 19 ARG CB C 13 29.572 0.20 0.522 1 . . . . A 19 ARG CB . 30271 1 167 . 1 1 19 19 ARG CG C 13 35.790 0.20 0.522 1 . . . . A 19 ARG CG . 30271 1 168 . 1 1 19 19 ARG N N 15 119.108 0.20 0.990 1 . . . . A 19 ARG N . 30271 1 169 . 1 1 20 20 HIS H H 1 8.059 0.20 1.000 1 . . . . A 20 HIS H . 30271 1 170 . 1 1 20 20 HIS HA H 1 4.660 0.02 0.680 1 . . . . A 20 HIS HA . 30271 1 171 . 1 1 20 20 HIS HB2 H 1 3.360 0.02 0.124 2 . . . . A 20 HIS HB2 . 30271 1 172 . 1 1 20 20 HIS HB3 H 1 3.360 0.02 0.668 2 . . . . A 20 HIS HB3 . 30271 1 173 . 1 1 20 20 HIS C C 13 177.922 0.20 0.990 1 . . . . A 20 HIS C . 30271 1 174 . 1 1 20 20 HIS CA C 13 59.300 0.20 1.000 1 . . . . A 20 HIS CA . 30271 1 175 . 1 1 20 20 HIS CB C 13 32.480 0.20 1.000 1 . . . . A 20 HIS CB . 30271 1 176 . 1 1 20 20 HIS N N 15 121.049 0.20 0.990 1 . . . . A 20 HIS N . 30271 1 177 . 1 1 21 21 VAL H H 1 8.586 0.02 0.990 1 . . . . A 21 VAL H . 30271 1 178 . 1 1 21 21 VAL HA H 1 4.117 0.02 1.000 1 . . . . A 21 VAL HA . 30271 1 179 . 1 1 21 21 VAL HB H 1 2.746 0.02 1.000 1 . . . . A 21 VAL HB . 30271 1 180 . 1 1 21 21 VAL C C 13 177.372 0.20 1.000 1 . . . . A 21 VAL C . 30271 1 181 . 1 1 21 21 VAL CA C 13 65.949 0.20 1.000 1 . . . . A 21 VAL CA . 30271 1 182 . 1 1 21 21 VAL CB C 13 38.714 0.20 1.000 1 . . . . A 21 VAL CB . 30271 1 183 . 1 1 21 21 VAL CG1 C 13 22.860 0.20 1.000 2 . . . . A 21 VAL CG1 . 30271 1 184 . 1 1 21 21 VAL CG2 C 13 22.860 0.20 1.000 2 . . . . A 21 VAL CG2 . 30271 1 185 . 1 1 21 21 VAL N N 15 121.154 0.20 0.990 1 . . . . A 21 VAL N . 30271 1 186 . 1 1 22 22 HIS H H 1 8.245 0.02 1.000 1 . . . . A 22 HIS H . 30271 1 187 . 1 1 22 22 HIS HA H 1 4.655 0.02 1.000 1 . . . . A 22 HIS HA . 30271 1 188 . 1 1 22 22 HIS HB2 H 1 3.365 0.02 0.888 2 . . . . A 22 HIS HB2 . 30271 1 189 . 1 1 22 22 HIS HB3 H 1 3.365 0.02 0.075 2 . . . . A 22 HIS HB3 . 30271 1 190 . 1 1 22 22 HIS C C 13 176.573 0.20 1.000 1 . . . . A 22 HIS C . 30271 1 191 . 1 1 22 22 HIS CA C 13 59.537 0.20 1.000 1 . . . . A 22 HIS CA . 30271 1 192 . 1 1 22 22 HIS N N 15 119.976 0.20 1.000 1 . . . . A 22 HIS N . 30271 1 193 . 1 1 23 23 ASP H H 1 7.754 0.02 1.000 1 . . . . A 23 ASP H . 30271 1 194 . 1 1 23 23 ASP HA H 1 4.523 0.02 1.000 1 . . . . A 23 ASP HA . 30271 1 195 . 1 1 23 23 ASP HB2 H 1 2.980 0.02 1.000 2 . . . . A 23 ASP HB2 . 30271 1 196 . 1 1 23 23 ASP HB3 H 1 2.786 0.02 0.074 2 . . . . A 23 ASP HB3 . 30271 1 197 . 1 1 23 23 ASP C C 13 179.217 0.20 1.000 1 . . . . A 23 ASP C . 30271 1 198 . 1 1 23 23 ASP CA C 13 57.332 0.20 0.654 1 . . . . A 23 ASP CA . 30271 1 199 . 1 1 23 23 ASP CB C 13 40.428 0.20 1.000 1 . . . . A 23 ASP CB . 30271 1 200 . 1 1 23 23 ASP N N 15 118.741 0.20 1.000 1 . . . . A 23 ASP N . 30271 1 201 . 1 1 24 24 GLU H H 1 8.230 0.02 1.000 1 . . . . A 24 GLU H . 30271 1 202 . 1 1 24 24 GLU HA H 1 4.463 0.02 1.000 1 . . . . A 24 GLU HA . 30271 1 203 . 1 1 24 24 GLU C C 13 177.911 0.20 1.000 1 . . . . A 24 GLU C . 30271 1 204 . 1 1 24 24 GLU CA C 13 60.150 0.20 1.000 1 . . . . A 24 GLU CA . 30271 1 205 . 1 1 24 24 GLU CB C 13 30.330 0.20 1.000 1 . . . . A 24 GLU CB . 30271 1 206 . 1 1 24 24 GLU CG C 13 36.900 0.20 1.000 1 . . . . A 24 GLU CG . 30271 1 207 . 1 1 24 24 GLU N N 15 122.440 0.20 1.000 1 . . . . A 24 GLU N . 30271 1 208 . 1 1 25 25 GLU H H 1 8.500 0.02 1.000 1 . . . . A 25 GLU H . 30271 1 209 . 1 1 25 25 GLU HA H 1 4.128 0.02 1.000 1 . . . . A 25 GLU HA . 30271 1 210 . 1 1 25 25 GLU HB2 H 1 2.137 0.02 1.000 2 . . . . A 25 GLU HB2 . 30271 1 211 . 1 1 25 25 GLU HB3 H 1 2.137 0.02 1.000 2 . . . . A 25 GLU HB3 . 30271 1 212 . 1 1 25 25 GLU HG2 H 1 2.469 0.02 1.000 2 . . . . A 25 GLU HG2 . 30271 1 213 . 1 1 25 25 GLU HG3 H 1 2.469 0.02 1.000 2 . . . . A 25 GLU HG3 . 30271 1 214 . 1 1 25 25 GLU C C 13 180.335 0.20 1.000 1 . . . . A 25 GLU C . 30271 1 215 . 1 1 25 25 GLU CA C 13 59.663 0.20 1.000 1 . . . . A 25 GLU CA . 30271 1 216 . 1 1 25 25 GLU CB C 13 29.140 0.20 1.000 1 . . . . A 25 GLU CB . 30271 1 217 . 1 1 25 25 GLU CG C 13 36.850 0.20 1.000 1 . . . . A 25 GLU CG . 30271 1 218 . 1 1 25 25 GLU N N 15 118.028 0.20 1.000 1 . . . . A 25 GLU N . 30271 1 219 . 1 1 26 26 VAL H H 1 8.179 0.02 1.000 1 . . . . A 26 VAL H . 30271 1 220 . 1 1 26 26 VAL HA H 1 3.775 0.02 1.000 1 . . . . A 26 VAL HA . 30271 1 221 . 1 1 26 26 VAL HB H 1 2.144 0.02 1.000 1 . . . . A 26 VAL HB . 30271 1 222 . 1 1 26 26 VAL HG11 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG11 . 30271 1 223 . 1 1 26 26 VAL HG12 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG12 . 30271 1 224 . 1 1 26 26 VAL HG13 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG13 . 30271 1 225 . 1 1 26 26 VAL HG21 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG21 . 30271 1 226 . 1 1 26 26 VAL HG22 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG22 . 30271 1 227 . 1 1 26 26 VAL HG23 H 1 0.933 0.02 1.000 2 . . . . A 26 VAL HG23 . 30271 1 228 . 1 1 26 26 VAL C C 13 178.904 0.20 1.000 1 . . . . A 26 VAL C . 30271 1 229 . 1 1 26 26 VAL CA C 13 66.322 0.20 1.000 1 . . . . A 26 VAL CA . 30271 1 230 . 1 1 26 26 VAL CB C 13 32.160 0.20 1.000 1 . . . . A 26 VAL CB . 30271 1 231 . 1 1 26 26 VAL CG1 C 13 22.450 0.20 0.473 2 . . . . A 26 VAL CG1 . 30271 1 232 . 1 1 26 26 VAL CG2 C 13 22.450 0.20 0.058 2 . . . . A 26 VAL CG2 . 30271 1 233 . 1 1 26 26 VAL N N 15 120.498 0.20 1.000 1 . . . . A 26 VAL N . 30271 1 234 . 1 1 27 27 GLU H H 1 7.853 0.02 1.000 1 . . . . A 27 GLU H . 30271 1 235 . 1 1 27 27 GLU HA H 1 4.552 0.02 1.000 1 . . . . A 27 GLU HA . 30271 1 236 . 1 1 27 27 GLU C C 13 178.679 0.20 1.000 1 . . . . A 27 GLU C . 30271 1 237 . 1 1 27 27 GLU CA C 13 58.758 0.20 1.000 1 . . . . A 27 GLU CA . 30271 1 238 . 1 1 27 27 GLU CB C 13 29.140 0.20 1.000 1 . . . . A 27 GLU CB . 30271 1 239 . 1 1 27 27 GLU CG C 13 35.610 0.20 1.000 1 . . . . A 27 GLU CG . 30271 1 240 . 1 1 27 27 GLU N N 15 122.155 0.20 1.000 1 . . . . A 27 GLU N . 30271 1 241 . 1 1 28 28 LEU H H 1 8.503 0.02 1.000 1 . . . . A 28 LEU H . 30271 1 242 . 1 1 28 28 LEU HA H 1 4.140 0.02 1.000 1 . . . . A 28 LEU HA . 30271 1 243 . 1 1 28 28 LEU HG H 1 1.422 0.02 0.846 1 . . . . A 28 LEU HG . 30271 1 244 . 1 1 28 28 LEU HD11 H 1 0.811 0.02 0.846 2 . . . . A 28 LEU HD11 . 30271 1 245 . 1 1 28 28 LEU HD12 H 1 0.811 0.02 0.846 2 . . . . A 28 LEU HD12 . 30271 1 246 . 1 1 28 28 LEU HD13 H 1 0.811 0.02 0.846 2 . . . . A 28 LEU HD13 . 30271 1 247 . 1 1 28 28 LEU HD21 H 1 0.811 0.02 0.153 2 . . . . A 28 LEU HD21 . 30271 1 248 . 1 1 28 28 LEU HD22 H 1 0.811 0.02 0.153 2 . . . . A 28 LEU HD22 . 30271 1 249 . 1 1 28 28 LEU HD23 H 1 0.811 0.02 0.153 2 . . . . A 28 LEU HD23 . 30271 1 250 . 1 1 28 28 LEU C C 13 177.980 0.20 1.000 1 . . . . A 28 LEU C . 30271 1 251 . 1 1 28 28 LEU CA C 13 58.583 0.20 1.000 1 . . . . A 28 LEU CA . 30271 1 252 . 1 1 28 28 LEU CB C 13 42.320 0.20 1.000 1 . . . . A 28 LEU CB . 30271 1 253 . 1 1 28 28 LEU N N 15 120.080 0.20 1.000 1 . . . . A 28 LEU N . 30271 1 254 . 1 1 29 29 GLU H H 1 7.872 0.02 1.000 1 . . . . A 29 GLU H . 30271 1 255 . 1 1 29 29 GLU HA H 1 4.158 0.02 1.000 1 . . . . A 29 GLU HA . 30271 1 256 . 1 1 29 29 GLU HG2 H 1 2.170 0.02 1.000 2 . . . . A 29 GLU HG2 . 30271 1 257 . 1 1 29 29 GLU C C 13 179.671 0.20 0.990 1 . . . . A 29 GLU C . 30271 1 258 . 1 1 29 29 GLU CA C 13 59.683 0.20 0.678 1 . . . . A 29 GLU CA . 30271 1 259 . 1 1 29 29 GLU CB C 13 29.260 0.20 1.000 1 . . . . A 29 GLU CB . 30271 1 260 . 1 1 29 29 GLU CG C 13 35.780 0.20 1.000 1 . . . . A 29 GLU CG . 30271 1 261 . 1 1 29 29 GLU N N 15 119.767 0.20 1.000 1 . . . . A 29 GLU N . 30271 1 262 . 1 1 30 30 ARG H H 1 8.059 0.02 0.990 1 . . . . A 30 ARG H . 30271 1 263 . 1 1 30 30 ARG HA H 1 4.184 0.02 1.000 1 . . . . A 30 ARG HA . 30271 1 264 . 1 1 30 30 ARG C C 13 180.465 0.20 0.990 1 . . . . A 30 ARG C . 30271 1 265 . 1 1 30 30 ARG CA C 13 58.263 0.20 1.000 1 . . . . A 30 ARG CA . 30271 1 266 . 1 1 30 30 ARG N N 15 121.049 0.20 0.990 1 . . . . A 30 ARG N . 30271 1 267 . 1 1 31 31 LEU H H 1 8.427 0.02 0.990 1 . . . . A 31 LEU H . 30271 1 268 . 1 1 31 31 LEU HA H 1 4.236 0.02 1.000 1 . . . . A 31 LEU HA . 30271 1 269 . 1 1 31 31 LEU C C 13 178.477 0.20 0.990 1 . . . . A 31 LEU C . 30271 1 270 . 1 1 31 31 LEU CA C 13 60.007 0.20 1.000 1 . . . . A 31 LEU CA . 30271 1 271 . 1 1 31 31 LEU CB C 13 38.190 0.20 1.000 1 . . . . A 31 LEU CB . 30271 1 272 . 1 1 31 31 LEU N N 15 123.299 0.20 0.990 1 . . . . A 31 LEU N . 30271 1 273 . 1 1 32 32 LYS H H 1 8.135 0.02 0.990 1 . . . . A 32 LYS H . 30271 1 274 . 1 1 32 32 LYS HA H 1 4.376 0.02 1.000 1 . . . . A 32 LYS HA . 30271 1 275 . 1 1 32 32 LYS HB2 H 1 2.869 0.02 1.000 2 . . . . A 32 LYS HB2 . 30271 1 276 . 1 1 32 32 LYS HB3 H 1 2.869 0.02 1.000 2 . . . . A 32 LYS HB3 . 30271 1 277 . 1 1 32 32 LYS C C 13 177.999 0.20 1.000 1 . . . . A 32 LYS C . 30271 1 278 . 1 1 32 32 LYS CA C 13 56.614 0.20 1.000 1 . . . . A 32 LYS CA . 30271 1 279 . 1 1 32 32 LYS CB C 13 29.910 0.20 1.000 1 . . . . A 32 LYS CB . 30271 1 280 . 1 1 32 32 LYS N N 15 123.299 0.20 0.990 1 . . . . A 32 LYS N . 30271 1 281 . 1 1 33 33 ASN H H 1 8.126 0.02 1.000 1 . . . . A 33 ASN H . 30271 1 282 . 1 1 33 33 ASN HA H 1 4.029 0.02 1.000 1 . . . . A 33 ASN HA . 30271 1 283 . 1 1 33 33 ASN HB2 H 1 2.592 0.02 0.763 2 . . . . A 33 ASN HB2 . 30271 1 284 . 1 1 33 33 ASN HB3 H 1 2.592 0.02 0.651 2 . . . . A 33 ASN HB3 . 30271 1 285 . 1 1 33 33 ASN C C 13 179.455 0.20 1.000 1 . . . . A 33 ASN C . 30271 1 286 . 1 1 33 33 ASN CA C 13 59.524 0.20 1.000 1 . . . . A 33 ASN CA . 30271 1 287 . 1 1 33 33 ASN CB C 13 38.180 0.20 0.740 1 . . . . A 33 ASN CB . 30271 1 288 . 1 1 33 33 ASN N N 15 118.942 0.20 1.000 1 . . . . A 33 ASN N . 30271 1 289 . 1 1 34 34 GLU H H 1 7.737 0.02 1.000 1 . . . . A 34 GLU H . 30271 1 290 . 1 1 34 34 GLU HA H 1 4.234 0.02 0.788 1 . . . . A 34 GLU HA . 30271 1 291 . 1 1 34 34 GLU C C 13 179.288 0.20 1.000 1 . . . . A 34 GLU C . 30271 1 292 . 1 1 34 34 GLU CA C 13 60.081 0.20 1.000 1 . . . . A 34 GLU CA . 30271 1 293 . 1 1 34 34 GLU CB C 13 29.750 0.20 1.000 1 . . . . A 34 GLU CB . 30271 1 294 . 1 1 34 34 GLU N N 15 120.076 0.20 1.000 1 . . . . A 34 GLU N . 30271 1 295 . 1 1 35 35 ARG H H 1 7.899 0.02 0.928 1 . . . . A 35 ARG H . 30271 1 296 . 1 1 35 35 ARG HA H 1 4.071 0.02 1.000 1 . . . . A 35 ARG HA . 30271 1 297 . 1 1 35 35 ARG C C 13 178.714 0.20 1.000 1 . . . . A 35 ARG C . 30271 1 298 . 1 1 35 35 ARG CA C 13 59.339 0.20 1.000 1 . . . . A 35 ARG CA . 30271 1 299 . 1 1 35 35 ARG CB C 13 30.020 0.20 1.000 1 . . . . A 35 ARG CB . 30271 1 300 . 1 1 35 35 ARG N N 15 118.600 0.20 0.928 1 . . . . A 35 ARG N . 30271 1 301 . 1 1 36 36 HIS H H 1 7.845 0.02 1.000 1 . . . . A 36 HIS H . 30271 1 302 . 1 1 36 36 HIS HA H 1 4.455 0.02 1.000 1 . . . . A 36 HIS HA . 30271 1 303 . 1 1 36 36 HIS HB2 H 1 2.935 0.02 1.000 2 . . . . A 36 HIS HB2 . 30271 1 304 . 1 1 36 36 HIS HB3 H 1 2.935 0.02 1.000 2 . . . . A 36 HIS HB3 . 30271 1 305 . 1 1 36 36 HIS C C 13 175.635 0.20 1.000 1 . . . . A 36 HIS C . 30271 1 306 . 1 1 36 36 HIS CA C 13 57.583 0.20 1.000 1 . . . . A 36 HIS CA . 30271 1 307 . 1 1 36 36 HIS CB C 13 30.400 0.20 1.000 1 . . . . A 36 HIS CB . 30271 1 308 . 1 1 36 36 HIS N N 15 116.033 0.20 1.000 1 . . . . A 36 HIS N . 30271 1 309 . 1 1 37 37 ASP H H 1 8.035 0.02 1.000 1 . . . . A 37 ASP H . 30271 1 310 . 1 1 37 37 ASP HA H 1 4.535 0.02 1.000 1 . . . . A 37 ASP HA . 30271 1 311 . 1 1 37 37 ASP HB2 H 1 2.661 0.02 1.000 2 . . . . A 37 ASP HB2 . 30271 1 312 . 1 1 37 37 ASP HB3 H 1 2.661 0.02 1.000 2 . . . . A 37 ASP HB3 . 30271 1 313 . 1 1 37 37 ASP C C 13 176.285 0.20 1.000 1 . . . . A 37 ASP C . 30271 1 314 . 1 1 37 37 ASP CA C 13 55.669 0.20 0.353 1 . . . . A 37 ASP CA . 30271 1 315 . 1 1 37 37 ASP CB C 13 41.010 0.20 1.000 1 . . . . A 37 ASP CB . 30271 1 316 . 1 1 37 37 ASP N N 15 120.280 0.20 1.000 1 . . . . A 37 ASP N . 30271 1 317 . 1 1 38 38 HIS H H 1 8.002 0.02 1.000 1 . . . . A 38 HIS H . 30271 1 318 . 1 1 38 38 HIS HA H 1 4.633 0.02 0.765 1 . . . . A 38 HIS HA . 30271 1 319 . 1 1 38 38 HIS HB2 H 1 3.126 0.02 1.000 2 . . . . A 38 HIS HB2 . 30271 1 320 . 1 1 38 38 HIS HB3 H 1 3.126 0.02 1.000 2 . . . . A 38 HIS HB3 . 30271 1 321 . 1 1 38 38 HIS C C 13 174.320 0.20 1.000 1 . . . . A 38 HIS C . 30271 1 322 . 1 1 38 38 HIS CA C 13 55.554 0.20 1.000 1 . . . . A 38 HIS CA . 30271 1 323 . 1 1 38 38 HIS CB C 13 29.788 0.20 1.000 1 . . . . A 38 HIS CB . 30271 1 324 . 1 1 38 38 HIS N N 15 117.129 0.20 1.000 1 . . . . A 38 HIS N . 30271 1 325 . 1 1 39 39 ASP H H 1 8.193 0.02 1.000 1 . . . . A 39 ASP H . 30271 1 326 . 1 1 39 39 ASP HA H 1 4.588 0.02 1.000 1 . . . . A 39 ASP HA . 30271 1 327 . 1 1 39 39 ASP HB2 H 1 2.625 0.02 0.892 2 . . . . A 39 ASP HB2 . 30271 1 328 . 1 1 39 39 ASP HB3 H 1 2.625 0.02 0.108 2 . . . . A 39 ASP HB3 . 30271 1 329 . 1 1 39 39 ASP C C 13 174.881 0.20 1.000 1 . . . . A 39 ASP C . 30271 1 330 . 1 1 39 39 ASP CA C 13 54.593 0.20 1.000 1 . . . . A 39 ASP CA . 30271 1 331 . 1 1 39 39 ASP CB C 13 41.047 0.20 1.000 1 . . . . A 39 ASP CB . 30271 1 332 . 1 1 39 39 ASP N N 15 121.780 0.20 1.000 1 . . . . A 39 ASP N . 30271 1 333 . 1 1 40 40 TYR H H 1 7.621 0.02 1.000 1 . . . . A 40 TYR H . 30271 1 334 . 1 1 40 40 TYR HA H 1 4.443 0.20 1.000 1 . . . . A 40 TYR HA . 30271 1 335 . 1 1 40 40 TYR HB2 H 1 3.033 0.02 1.000 2 . . . . A 40 TYR HB2 . 30271 1 336 . 1 1 40 40 TYR HB3 H 1 3.033 0.02 1.000 2 . . . . A 40 TYR HB3 . 30271 1 337 . 1 1 40 40 TYR C C 13 180.272 0.20 1.000 1 . . . . A 40 TYR C . 30271 1 338 . 1 1 40 40 TYR CA C 13 59.098 0.20 1.000 1 . . . . A 40 TYR CA . 30271 1 339 . 1 1 40 40 TYR CB C 13 39.293 0.02 1.000 1 . . . . A 40 TYR CB . 30271 1 340 . 1 1 40 40 TYR N N 15 124.679 0.20 1.000 1 . . . . A 40 TYR N . 30271 1 stop_ save_