################################### # 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 30064 _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' . . . 30064 1 2 '2D 1H-13C HSQC' . . . 30064 1 3 '2D 1H-1H TOCSY' . . . 30064 1 4 '2D 1H-1H NOESY' . . . 30064 1 5 '3D HNCO' . . . 30064 1 6 '3D HNCOi' . . . 30064 1 9 '3D HNCACB' . . . 30064 1 10 '3D CBCA(CO)NH' . . . 30064 1 13 '3D HC(C)H-TOCSY' . . . 30064 1 14 '3D (H)CCH-TOCSY' . . . 30064 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 30064 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 GLY HA2 H 1 3.232 0.037 . 2 . . . . 24 GLY HA2 . 30064 1 2 . 1 1 1 1 GLY HA3 H 1 3.871 0.025 . 2 . . . . 24 GLY HA3 . 30064 1 3 . 1 1 1 1 GLY CA C 13 43.289 0.059 . 1 . . . . 24 GLY CA . 30064 1 4 . 1 1 2 2 ALA H H 1 8.600 0.009 . 1 . . . . 25 ALA H . 30064 1 5 . 1 1 2 2 ALA HA H 1 4.339 0.036 . 1 . . . . 25 ALA HA . 30064 1 6 . 1 1 2 2 ALA HB1 H 1 1.372 0.029 . 1 . . . . 25 ALA HB1 . 30064 1 7 . 1 1 2 2 ALA HB2 H 1 1.372 0.029 . 1 . . . . 25 ALA HB2 . 30064 1 8 . 1 1 2 2 ALA HB3 H 1 1.372 0.029 . 1 . . . . 25 ALA HB3 . 30064 1 9 . 1 1 2 2 ALA C C 13 178.025 0.000 . 1 . . . . 25 ALA C . 30064 1 10 . 1 1 2 2 ALA CA C 13 52.861 0.084 . 1 . . . . 25 ALA CA . 30064 1 11 . 1 1 2 2 ALA CB C 13 19.197 0.056 . 1 . . . . 25 ALA CB . 30064 1 12 . 1 1 2 2 ALA N N 15 124.286 0.066 . 1 . . . . 25 ALA N . 30064 1 13 . 1 1 3 3 SER H H 1 8.416 0.020 . 1 . . . . 26 SER H . 30064 1 14 . 1 1 3 3 SER HA H 1 4.374 0.031 . 1 . . . . 26 SER HA . 30064 1 15 . 1 1 3 3 SER HB2 H 1 3.811 0.008 . 2 . . . . 26 SER HB2 . 30064 1 16 . 1 1 3 3 SER HB3 H 1 3.852 0.006 . 2 . . . . 26 SER HB3 . 30064 1 17 . 1 1 3 3 SER C C 13 174.832 0.000 . 1 . . . . 26 SER C . 30064 1 18 . 1 1 3 3 SER CA C 13 58.709 0.093 . 1 . . . . 26 SER CA . 30064 1 19 . 1 1 3 3 SER CB C 13 63.693 0.110 . 1 . . . . 26 SER CB . 30064 1 20 . 1 1 3 3 SER N N 15 115.189 0.054 . 1 . . . . 26 SER N . 30064 1 21 . 1 1 4 4 GLU H H 1 8.366 0.012 . 1 . . . . 27 GLU H . 30064 1 22 . 1 1 4 4 GLU HA H 1 4.277 0.034 . 1 . . . . 27 GLU HA . 30064 1 23 . 1 1 4 4 GLU HB2 H 1 1.934 0.039 . 2 . . . . 27 GLU HB2 . 30064 1 24 . 1 1 4 4 GLU HB3 H 1 2.055 0.027 . 2 . . . . 27 GLU HB3 . 30064 1 25 . 1 1 4 4 GLU HG2 H 1 2.304 0.021 . 2 . . . . 27 GLU HG2 . 30064 1 26 . 1 1 4 4 GLU HG3 H 1 2.304 0.021 . 2 . . . . 27 GLU HG3 . 30064 1 27 . 1 1 4 4 GLU C C 13 176.393 0.000 . 1 . . . . 27 GLU C . 30064 1 28 . 1 1 4 4 GLU CA C 13 56.749 0.096 . 1 . . . . 27 GLU CA . 30064 1 29 . 1 1 4 4 GLU CB C 13 29.675 0.093 . 1 . . . . 27 GLU CB . 30064 1 30 . 1 1 4 4 GLU CG C 13 35.425 0.090 . 1 . . . . 27 GLU CG . 30064 1 31 . 1 1 4 4 GLU N N 15 122.385 0.038 . 1 . . . . 27 GLU N . 30064 1 32 . 1 1 5 5 GLU H H 1 8.206 0.012 . 1 . . . . 28 GLU H . 30064 1 33 . 1 1 5 5 GLU HA H 1 4.217 0.037 . 1 . . . . 28 GLU HA . 30064 1 34 . 1 1 5 5 GLU HB2 H 1 1.888 0.033 . 2 . . . . 28 GLU HB2 . 30064 1 35 . 1 1 5 5 GLU HB3 H 1 2.008 0.030 . 2 . . . . 28 GLU HB3 . 30064 1 36 . 1 1 5 5 GLU HG2 H 1 2.275 0.020 . 2 . . . . 28 GLU HG2 . 30064 1 37 . 1 1 5 5 GLU HG3 H 1 2.275 0.020 . 2 . . . . 28 GLU HG3 . 30064 1 38 . 1 1 5 5 GLU C C 13 175.994 0.000 . 1 . . . . 28 GLU C . 30064 1 39 . 1 1 5 5 GLU CA C 13 56.694 0.107 . 1 . . . . 28 GLU CA . 30064 1 40 . 1 1 5 5 GLU CB C 13 29.800 0.076 . 1 . . . . 28 GLU CB . 30064 1 41 . 1 1 5 5 GLU CG C 13 35.246 0.106 . 1 . . . . 28 GLU CG . 30064 1 42 . 1 1 5 5 GLU N N 15 120.797 0.009 . 1 . . . . 28 GLU N . 30064 1 43 . 1 1 6 6 ASN H H 1 8.263 0.006 . 1 . . . . 29 ASN H . 30064 1 44 . 1 1 6 6 ASN HA H 1 4.621 0.042 . 1 . . . . 29 ASN HA . 30064 1 45 . 1 1 6 6 ASN HB2 H 1 2.625 0.036 . 2 . . . . 29 ASN HB2 . 30064 1 46 . 1 1 6 6 ASN HB3 H 1 2.733 0.045 . 2 . . . . 29 ASN HB3 . 30064 1 47 . 1 1 6 6 ASN HD21 H 1 6.831 0.006 . 2 . . . . 29 ASN HD21 . 30064 1 48 . 1 1 6 6 ASN HD22 H 1 7.499 0.004 . 2 . . . . 29 ASN HD22 . 30064 1 49 . 1 1 6 6 ASN C C 13 174.304 0.000 . 1 . . . . 29 ASN C . 30064 1 50 . 1 1 6 6 ASN CA C 13 52.974 0.036 . 1 . . . . 29 ASN CA . 30064 1 51 . 1 1 6 6 ASN CB C 13 38.698 0.177 . 1 . . . . 29 ASN CB . 30064 1 52 . 1 1 6 6 ASN N N 15 119.797 0.010 . 1 . . . . 29 ASN N . 30064 1 53 . 1 1 6 6 ASN ND2 N 15 113.001 0.002 . 1 . . . . 29 ASN ND2 . 30064 1 54 . 1 1 7 7 ILE H H 1 7.650 0.010 . 1 . . . . 30 ILE H . 30064 1 55 . 1 1 7 7 ILE HA H 1 3.756 0.036 . 1 . . . . 30 ILE HA . 30064 1 56 . 1 1 7 7 ILE HB H 1 1.365 0.037 . 1 . . . . 30 ILE HB . 30064 1 57 . 1 1 7 7 ILE HG12 H 1 0.753 0.037 . 1 . . . . 30 ILE HG12 . 30064 1 58 . 1 1 7 7 ILE HG13 H 1 1.077 0.041 . 1 . . . . 30 ILE HG13 . 30064 1 59 . 1 1 7 7 ILE HG21 H 1 0.184 0.035 . 1 . . . . 30 ILE HG21 . 30064 1 60 . 1 1 7 7 ILE HG22 H 1 0.184 0.035 . 1 . . . . 30 ILE HG22 . 30064 1 61 . 1 1 7 7 ILE HG23 H 1 0.184 0.035 . 1 . . . . 30 ILE HG23 . 30064 1 62 . 1 1 7 7 ILE HD11 H 1 0.602 0.036 . 1 . . . . 30 ILE HD11 . 30064 1 63 . 1 1 7 7 ILE HD12 H 1 0.602 0.036 . 1 . . . . 30 ILE HD12 . 30064 1 64 . 1 1 7 7 ILE HD13 H 1 0.602 0.036 . 1 . . . . 30 ILE HD13 . 30064 1 65 . 1 1 7 7 ILE C C 13 173.952 0.000 . 1 . . . . 30 ILE C . 30064 1 66 . 1 1 7 7 ILE CA C 13 60.502 0.077 . 1 . . . . 30 ILE CA . 30064 1 67 . 1 1 7 7 ILE CB C 13 38.426 0.113 . 1 . . . . 30 ILE CB . 30064 1 68 . 1 1 7 7 ILE CG1 C 13 26.987 0.030 . 1 . . . . 30 ILE CG1 . 30064 1 69 . 1 1 7 7 ILE CG2 C 13 16.938 0.075 . 1 . . . . 30 ILE CG2 . 30064 1 70 . 1 1 7 7 ILE CD1 C 13 12.427 0.046 . 1 . . . . 30 ILE CD1 . 30064 1 71 . 1 1 7 7 ILE N N 15 121.488 0.034 . 1 . . . . 30 ILE N . 30064 1 72 . 1 1 8 8 HIS H H 1 7.679 0.005 . 1 . . . . 31 HIS H . 30064 1 73 . 1 1 8 8 HIS HA H 1 4.383 0.037 . 1 . . . . 31 HIS HA . 30064 1 74 . 1 1 8 8 HIS HB2 H 1 2.827 0.034 . 2 . . . . 31 HIS HB2 . 30064 1 75 . 1 1 8 8 HIS HB3 H 1 2.920 0.040 . 2 . . . . 31 HIS HB3 . 30064 1 76 . 1 1 8 8 HIS HD2 H 1 7.031 0.003 . 1 . . . . 31 HIS HD2 . 30064 1 77 . 1 1 8 8 HIS HE1 H 1 8.445 0.002 . 1 . . . . 31 HIS HE1 . 30064 1 78 . 1 1 8 8 HIS C C 13 172.297 0.000 . 1 . . . . 31 HIS C . 30064 1 79 . 1 1 8 8 HIS CA C 13 54.005 0.108 . 1 . . . . 31 HIS CA . 30064 1 80 . 1 1 8 8 HIS CB C 13 30.066 0.079 . 1 . . . . 31 HIS CB . 30064 1 81 . 1 1 8 8 HIS N N 15 122.042 0.017 . 1 . . . . 31 HIS N . 30064 1 82 . 1 1 9 9 PHE H H 1 8.330 0.009 . 1 . . . . 32 PHE H . 30064 1 83 . 1 1 9 9 PHE HA H 1 4.924 0.038 . 1 . . . . 32 PHE HA . 30064 1 84 . 1 1 9 9 PHE HB2 H 1 2.366 0.031 . 2 . . . . 32 PHE HB2 . 30064 1 85 . 1 1 9 9 PHE HB3 H 1 3.126 0.035 . 2 . . . . 32 PHE HB3 . 30064 1 86 . 1 1 9 9 PHE HD1 H 1 6.859 0.004 . 3 . . . . 32 PHE HD1 . 30064 1 87 . 1 1 9 9 PHE HD2 H 1 6.859 0.004 . 3 . . . . 32 PHE HD2 . 30064 1 88 . 1 1 9 9 PHE HE1 H 1 6.628 0.003 . 3 . . . . 32 PHE HE1 . 30064 1 89 . 1 1 9 9 PHE HE2 H 1 6.628 0.003 . 3 . . . . 32 PHE HE2 . 30064 1 90 . 1 1 9 9 PHE HZ H 1 6.237 0.004 . 1 . . . . 32 PHE HZ . 30064 1 91 . 1 1 9 9 PHE C C 13 175.501 0.000 . 1 . . . . 32 PHE C . 30064 1 92 . 1 1 9 9 PHE CA C 13 55.693 0.139 . 1 . . . . 32 PHE CA . 30064 1 93 . 1 1 9 9 PHE CB C 13 41.476 0.267 . 1 . . . . 32 PHE CB . 30064 1 94 . 1 1 9 9 PHE N N 15 121.506 0.019 . 1 . . . . 32 PHE N . 30064 1 95 . 1 1 10 10 SER H H 1 9.300 0.031 . 1 . . . . 33 SER H . 30064 1 96 . 1 1 10 10 SER HA H 1 4.299 0.037 . 1 . . . . 33 SER HA . 30064 1 97 . 1 1 10 10 SER HB2 H 1 3.912 0.026 . 2 . . . . 33 SER HB2 . 30064 1 98 . 1 1 10 10 SER HB3 H 1 3.912 0.026 . 2 . . . . 33 SER HB3 . 30064 1 99 . 1 1 10 10 SER C C 13 173.671 0.000 . 1 . . . . 33 SER C . 30064 1 100 . 1 1 10 10 SER CA C 13 59.356 0.078 . 1 . . . . 33 SER CA . 30064 1 101 . 1 1 10 10 SER CB C 13 63.851 0.043 . 1 . . . . 33 SER CB . 30064 1 102 . 1 1 10 10 SER N N 15 117.039 0.031 . 1 . . . . 33 SER N . 30064 1 103 . 1 1 11 11 SER H H 1 7.460 0.009 . 1 . . . . 34 SER H . 30064 1 104 . 1 1 11 11 SER HA H 1 4.458 0.042 . 1 . . . . 34 SER HA . 30064 1 105 . 1 1 11 11 SER HB2 H 1 3.893 0.029 . 2 . . . . 34 SER HB2 . 30064 1 106 . 1 1 11 11 SER HB3 H 1 4.027 0.021 . 2 . . . . 34 SER HB3 . 30064 1 107 . 1 1 11 11 SER C C 13 174.316 0.000 . 1 . . . . 34 SER C . 30064 1 108 . 1 1 11 11 SER CA C 13 56.813 0.040 . 1 . . . . 34 SER CA . 30064 1 109 . 1 1 11 11 SER CB C 13 65.893 0.237 . 1 . . . . 34 SER CB . 30064 1 110 . 1 1 11 11 SER N N 15 111.899 0.077 . 1 . . . . 34 SER N . 30064 1 111 . 1 1 12 12 CYS H H 1 9.214 0.008 . 1 . . . . 35 CYS H . 30064 1 112 . 1 1 12 12 CYS HA H 1 4.205 0.049 . 1 . . . . 35 CYS HA . 30064 1 113 . 1 1 12 12 CYS HB2 H 1 1.066 0.026 . 2 . . . . 35 CYS HB2 . 30064 1 114 . 1 1 12 12 CYS HB3 H 1 2.122 0.035 . 2 . . . . 35 CYS HB3 . 30064 1 115 . 1 1 12 12 CYS C C 13 174.997 0.000 . 1 . . . . 35 CYS C . 30064 1 116 . 1 1 12 12 CYS CA C 13 55.452 0.096 . 1 . . . . 35 CYS CA . 30064 1 117 . 1 1 12 12 CYS CB C 13 33.316 0.071 . 1 . . . . 35 CYS CB . 30064 1 118 . 1 1 12 12 CYS N N 15 120.136 0.149 . 1 . . . . 35 CYS N . 30064 1 119 . 1 1 13 13 LYS H H 1 7.893 0.006 . 1 . . . . 36 LYS H . 30064 1 120 . 1 1 13 13 LYS HA H 1 3.975 0.037 . 1 . . . . 36 LYS HA . 30064 1 121 . 1 1 13 13 LYS HB2 H 1 1.771 0.033 . 2 . . . . 36 LYS HB2 . 30064 1 122 . 1 1 13 13 LYS HB3 H 1 1.771 0.033 . 2 . . . . 36 LYS HB3 . 30064 1 123 . 1 1 13 13 LYS HG2 H 1 1.440 0.027 . 2 . . . . 36 LYS HG2 . 30064 1 124 . 1 1 13 13 LYS HG3 H 1 1.558 0.041 . 2 . . . . 36 LYS HG3 . 30064 1 125 . 1 1 13 13 LYS HD2 H 1 1.702 0.032 . 2 . . . . 36 LYS HD2 . 30064 1 126 . 1 1 13 13 LYS HD3 H 1 1.702 0.032 . 2 . . . . 36 LYS HD3 . 30064 1 127 . 1 1 13 13 LYS HE2 H 1 3.000 0.038 . 2 . . . . 36 LYS HE2 . 30064 1 128 . 1 1 13 13 LYS HE3 H 1 3.000 0.038 . 2 . . . . 36 LYS HE3 . 30064 1 129 . 1 1 13 13 LYS C C 13 179.222 0.000 . 1 . . . . 36 LYS C . 30064 1 130 . 1 1 13 13 LYS CA C 13 60.221 0.123 . 1 . . . . 36 LYS CA . 30064 1 131 . 1 1 13 13 LYS CB C 13 31.942 0.064 . 1 . . . . 36 LYS CB . 30064 1 132 . 1 1 13 13 LYS CG C 13 25.015 0.073 . 1 . . . . 36 LYS CG . 30064 1 133 . 1 1 13 13 LYS CD C 13 29.122 0.129 . 1 . . . . 36 LYS CD . 30064 1 134 . 1 1 13 13 LYS CE C 13 41.991 0.049 . 1 . . . . 36 LYS CE . 30064 1 135 . 1 1 13 13 LYS N N 15 120.690 0.071 . 1 . . . . 36 LYS N . 30064 1 136 . 1 1 14 14 GLU H H 1 7.397 0.006 . 1 . . . . 37 GLU H . 30064 1 137 . 1 1 14 14 GLU HA H 1 4.030 0.034 . 1 . . . . 37 GLU HA . 30064 1 138 . 1 1 14 14 GLU HB2 H 1 2.046 0.030 . 2 . . . . 37 GLU HB2 . 30064 1 139 . 1 1 14 14 GLU HB3 H 1 2.192 0.033 . 2 . . . . 37 GLU HB3 . 30064 1 140 . 1 1 14 14 GLU HG2 H 1 2.263 0.031 . 2 . . . . 37 GLU HG2 . 30064 1 141 . 1 1 14 14 GLU HG3 H 1 2.376 0.028 . 2 . . . . 37 GLU HG3 . 30064 1 142 . 1 1 14 14 GLU C C 13 178.142 0.000 . 1 . . . . 37 GLU C . 30064 1 143 . 1 1 14 14 GLU CA C 13 58.824 0.118 . 1 . . . . 37 GLU CA . 30064 1 144 . 1 1 14 14 GLU CB C 13 30.211 0.153 . 1 . . . . 37 GLU CB . 30064 1 145 . 1 1 14 14 GLU CG C 13 36.263 0.087 . 1 . . . . 37 GLU CG . 30064 1 146 . 1 1 14 14 GLU N N 15 119.946 0.002 . 1 . . . . 37 GLU N . 30064 1 147 . 1 1 15 15 ALA H H 1 7.050 0.005 . 1 . . . . 38 ALA H . 30064 1 148 . 1 1 15 15 ALA HA H 1 2.409 0.032 . 1 . . . . 38 ALA HA . 30064 1 149 . 1 1 15 15 ALA HB1 H 1 0.720 0.035 . 1 . . . . 38 ALA HB1 . 30064 1 150 . 1 1 15 15 ALA HB2 H 1 0.720 0.035 . 1 . . . . 38 ALA HB2 . 30064 1 151 . 1 1 15 15 ALA HB3 H 1 0.720 0.035 . 1 . . . . 38 ALA HB3 . 30064 1 152 . 1 1 15 15 ALA C C 13 180.184 0.000 . 1 . . . . 38 ALA C . 30064 1 153 . 1 1 15 15 ALA CA C 13 55.656 0.057 . 1 . . . . 38 ALA CA . 30064 1 154 . 1 1 15 15 ALA CB C 13 17.537 0.085 . 1 . . . . 38 ALA CB . 30064 1 155 . 1 1 15 15 ALA N N 15 123.887 0.050 . 1 . . . . 38 ALA N . 30064 1 156 . 1 1 16 16 TRP H H 1 8.833 0.007 . 1 . . . . 39 TRP H . 30064 1 157 . 1 1 16 16 TRP HA H 1 4.712 0.039 . 1 . . . . 39 TRP HA . 30064 1 158 . 1 1 16 16 TRP HB2 H 1 3.112 0.030 . 2 . . . . 39 TRP HB2 . 30064 1 159 . 1 1 16 16 TRP HB3 H 1 3.283 0.033 . 2 . . . . 39 TRP HB3 . 30064 1 160 . 1 1 16 16 TRP HD1 H 1 7.740 0.002 . 1 . . . . 39 TRP HD1 . 30064 1 161 . 1 1 16 16 TRP HE1 H 1 9.478 0.003 . 4 . . . . 39 TRP HE1 . 30064 1 162 . 1 1 16 16 TRP HE3 H 1 7.411 0.003 . 4 . . . . 39 TRP HE3 . 30064 1 163 . 1 1 16 16 TRP HZ2 H 1 7.192 0.008 . 4 . . . . 39 TRP HZ2 . 30064 1 164 . 1 1 16 16 TRP HZ3 H 1 6.986 0.002 . 4 . . . . 39 TRP HZ3 . 30064 1 165 . 1 1 16 16 TRP HH2 H 1 7.120 0.006 . 1 . . . . 39 TRP HH2 . 30064 1 166 . 1 1 16 16 TRP C C 13 181.428 0.000 . 1 . . . . 39 TRP C . 30064 1 167 . 1 1 16 16 TRP CA C 13 58.288 0.135 . 1 . . . . 39 TRP CA . 30064 1 168 . 1 1 16 16 TRP CB C 13 28.353 0.050 . 1 . . . . 39 TRP CB . 30064 1 169 . 1 1 16 16 TRP N N 15 119.842 0.017 . 1 . . . . 39 TRP N . 30064 1 170 . 1 1 16 16 TRP NE1 N 15 126.423 0.000 . 1 . . . . 39 TRP NE1 . 30064 1 171 . 1 1 17 17 ALA H H 1 8.012 0.011 . 1 . . . . 40 ALA H . 30064 1 172 . 1 1 17 17 ALA HA H 1 4.220 0.036 . 1 . . . . 40 ALA HA . 30064 1 173 . 1 1 17 17 ALA HB1 H 1 1.557 0.037 . 1 . . . . 40 ALA HB1 . 30064 1 174 . 1 1 17 17 ALA HB2 H 1 1.557 0.037 . 1 . . . . 40 ALA HB2 . 30064 1 175 . 1 1 17 17 ALA HB3 H 1 1.557 0.037 . 1 . . . . 40 ALA HB3 . 30064 1 176 . 1 1 17 17 ALA C C 13 178.541 0.000 . 1 . . . . 40 ALA C . 30064 1 177 . 1 1 17 17 ALA CA C 13 54.616 0.068 . 1 . . . . 40 ALA CA . 30064 1 178 . 1 1 17 17 ALA CB C 13 18.031 0.048 . 1 . . . . 40 ALA CB . 30064 1 179 . 1 1 17 17 ALA N N 15 122.387 0.047 . 1 . . . . 40 ALA N . 30064 1 180 . 1 1 18 18 ASN H H 1 7.579 0.010 . 1 . . . . 41 ASN H . 30064 1 181 . 1 1 18 18 ASN HA H 1 4.852 0.040 . 1 . . . . 41 ASN HA . 30064 1 182 . 1 1 18 18 ASN HB2 H 1 2.738 0.036 . 2 . . . . 41 ASN HB2 . 30064 1 183 . 1 1 18 18 ASN HB3 H 1 3.229 0.036 . 2 . . . . 41 ASN HB3 . 30064 1 184 . 1 1 18 18 ASN HD21 H 1 7.394 0.008 . 2 . . . . 41 ASN HD21 . 30064 1 185 . 1 1 18 18 ASN HD22 H 1 7.756 0.005 . 2 . . . . 41 ASN HD22 . 30064 1 186 . 1 1 18 18 ASN C C 13 174.316 0.000 . 1 . . . . 41 ASN C . 30064 1 187 . 1 1 18 18 ASN CA C 13 53.740 0.152 . 1 . . . . 41 ASN CA . 30064 1 188 . 1 1 18 18 ASN CB C 13 41.003 0.136 . 1 . . . . 41 ASN CB . 30064 1 189 . 1 1 18 18 ASN N N 15 115.100 0.001 . 1 . . . . 41 ASN N . 30064 1 190 . 1 1 18 18 ASN ND2 N 15 115.928 0.002 . 1 . . . . 41 ASN ND2 . 30064 1 191 . 1 1 19 19 GLY H H 1 7.913 0.010 . 1 . . . . 42 GLY H . 30064 1 192 . 1 1 19 19 GLY HA2 H 1 3.714 0.038 . 2 . . . . 42 GLY HA2 . 30064 1 193 . 1 1 19 19 GLY HA3 H 1 4.080 0.039 . 2 . . . . 42 GLY HA3 . 30064 1 194 . 1 1 19 19 GLY C C 13 174.046 0.000 . 1 . . . . 42 GLY C . 30064 1 195 . 1 1 19 19 GLY CA C 13 46.002 0.048 . 1 . . . . 42 GLY CA . 30064 1 196 . 1 1 19 19 GLY N N 15 107.010 0.083 . 1 . . . . 42 GLY N . 30064 1 197 . 1 1 20 20 TYR H H 1 8.349 0.008 . 1 . . . . 43 TYR H . 30064 1 198 . 1 1 20 20 TYR HA H 1 4.677 0.022 . 1 . . . . 43 TYR HA . 30064 1 199 . 1 1 20 20 TYR HB2 H 1 2.506 0.029 . 2 . . . . 43 TYR HB2 . 30064 1 200 . 1 1 20 20 TYR HB3 H 1 2.506 0.029 . 2 . . . . 43 TYR HB3 . 30064 1 201 . 1 1 20 20 TYR HD1 H 1 7.024 0.002 . 3 . . . . 43 TYR HD1 . 30064 1 202 . 1 1 20 20 TYR HD2 H 1 7.024 0.002 . 3 . . . . 43 TYR HD2 . 30064 1 203 . 1 1 20 20 TYR HE1 H 1 6.834 0.002 . 3 . . . . 43 TYR HE1 . 30064 1 204 . 1 1 20 20 TYR HE2 H 1 6.834 0.002 . 3 . . . . 43 TYR HE2 . 30064 1 205 . 1 1 20 20 TYR C C 13 173.706 0.000 . 1 . . . . 43 TYR C . 30064 1 206 . 1 1 20 20 TYR CA C 13 57.379 0.075 . 1 . . . . 43 TYR CA . 30064 1 207 . 1 1 20 20 TYR CB C 13 40.152 0.036 . 1 . . . . 43 TYR CB . 30064 1 208 . 1 1 20 20 TYR N N 15 122.311 0.078 . 1 . . . . 43 TYR N . 30064 1 209 . 1 1 21 21 SER H H 1 7.942 0.006 . 1 . . . . 44 SER H . 30064 1 210 . 1 1 21 21 SER HA H 1 4.470 0.038 . 1 . . . . 44 SER HA . 30064 1 211 . 1 1 21 21 SER HB2 H 1 3.995 0.037 . 2 . . . . 44 SER HB2 . 30064 1 212 . 1 1 21 21 SER HB3 H 1 3.995 0.037 . 2 . . . . 44 SER HB3 . 30064 1 213 . 1 1 21 21 SER C C 13 171.992 0.000 . 1 . . . . 44 SER C . 30064 1 214 . 1 1 21 21 SER CA C 13 57.739 0.053 . 1 . . . . 44 SER CA . 30064 1 215 . 1 1 21 21 SER CB C 13 65.629 0.040 . 1 . . . . 44 SER CB . 30064 1 216 . 1 1 21 21 SER N N 15 110.543 0.014 . 1 . . . . 44 SER N . 30064 1 217 . 1 1 22 22 ASP H H 1 8.127 0.014 . 1 . . . . 45 ASP H . 30064 1 218 . 1 1 22 22 ASP HA H 1 3.709 0.034 . 1 . . . . 45 ASP HA . 30064 1 219 . 1 1 22 22 ASP HB2 H 1 2.654 0.012 . 2 . . . . 45 ASP HB2 . 30064 1 220 . 1 1 22 22 ASP HB3 H 1 2.781 0.024 . 2 . . . . 45 ASP HB3 . 30064 1 221 . 1 1 22 22 ASP C C 13 174.680 0.000 . 1 . . . . 45 ASP C . 30064 1 222 . 1 1 22 22 ASP CA C 13 55.742 0.033 . 1 . . . . 45 ASP CA . 30064 1 223 . 1 1 22 22 ASP CB C 13 39.194 0.090 . 1 . . . . 45 ASP CB . 30064 1 224 . 1 1 22 22 ASP N N 15 119.298 0.006 . 1 . . . . 45 ASP N . 30064 1 225 . 1 1 23 23 ILE H H 1 8.377 0.008 . 1 . . . . 46 ILE H . 30064 1 226 . 1 1 23 23 ILE HA H 1 3.993 0.039 . 1 . . . . 46 ILE HA . 30064 1 227 . 1 1 23 23 ILE HB H 1 1.670 0.036 . 1 . . . . 46 ILE HB . 30064 1 228 . 1 1 23 23 ILE HG12 H 1 1.090 0.036 . 2 . . . . 46 ILE HG12 . 30064 1 229 . 1 1 23 23 ILE HG13 H 1 1.358 0.034 . 2 . . . . 46 ILE HG13 . 30064 1 230 . 1 1 23 23 ILE HG21 H 1 0.995 0.039 . 1 . . . . 46 ILE HG21 . 30064 1 231 . 1 1 23 23 ILE HG22 H 1 0.995 0.039 . 1 . . . . 46 ILE HG22 . 30064 1 232 . 1 1 23 23 ILE HG23 H 1 0.995 0.039 . 1 . . . . 46 ILE HG23 . 30064 1 233 . 1 1 23 23 ILE HD11 H 1 0.650 0.035 . 1 . . . . 46 ILE HD11 . 30064 1 234 . 1 1 23 23 ILE HD12 H 1 0.650 0.035 . 1 . . . . 46 ILE HD12 . 30064 1 235 . 1 1 23 23 ILE HD13 H 1 0.650 0.035 . 1 . . . . 46 ILE HD13 . 30064 1 236 . 1 1 23 23 ILE C C 13 177.097 0.000 . 1 . . . . 46 ILE C . 30064 1 237 . 1 1 23 23 ILE CA C 13 61.981 0.070 . 1 . . . . 46 ILE CA . 30064 1 238 . 1 1 23 23 ILE CB C 13 40.542 0.079 . 1 . . . . 46 ILE CB . 30064 1 239 . 1 1 23 23 ILE CG1 C 13 26.732 0.062 . 1 . . . . 46 ILE CG1 . 30064 1 240 . 1 1 23 23 ILE CG2 C 13 18.614 0.128 . 1 . . . . 46 ILE CG2 . 30064 1 241 . 1 1 23 23 ILE CD1 C 13 14.154 0.070 . 1 . . . . 46 ILE CD1 . 30064 1 242 . 1 1 23 23 ILE N N 15 118.575 0.044 . 1 . . . . 46 ILE N . 30064 1 243 . 1 1 24 24 HIS H H 1 9.383 0.035 . 1 . . . . 47 HIS H . 30064 1 244 . 1 1 24 24 HIS HA H 1 4.942 0.042 . 1 . . . . 47 HIS HA . 30064 1 245 . 1 1 24 24 HIS HB2 H 1 2.977 0.037 . 2 . . . . 47 HIS HB2 . 30064 1 246 . 1 1 24 24 HIS HB3 H 1 3.264 0.037 . 2 . . . . 47 HIS HB3 . 30064 1 247 . 1 1 24 24 HIS HD2 H 1 7.477 0.001 . 1 . . . . 47 HIS HD2 . 30064 1 248 . 1 1 24 24 HIS HE1 H 1 8.602 0.003 . 1 . . . . 47 HIS HE1 . 30064 1 249 . 1 1 24 24 HIS C C 13 174.375 0.000 . 1 . . . . 47 HIS C . 30064 1 250 . 1 1 24 24 HIS CA C 13 56.218 0.049 . 1 . . . . 47 HIS CA . 30064 1 251 . 1 1 24 24 HIS CB C 13 29.067 0.075 . 1 . . . . 47 HIS CB . 30064 1 252 . 1 1 24 24 HIS N N 15 128.636 0.030 . 1 . . . . 47 HIS N . 30064 1 253 . 1 1 25 25 GLU H H 1 7.787 0.005 . 1 . . . . 48 GLU H . 30064 1 254 . 1 1 25 25 GLU HA H 1 2.496 0.033 . 1 . . . . 48 GLU HA . 30064 1 255 . 1 1 25 25 GLU HB2 H 1 1.144 0.036 . 2 . . . . 48 GLU HB2 . 30064 1 256 . 1 1 25 25 GLU HB3 H 1 1.534 0.031 . 2 . . . . 48 GLU HB3 . 30064 1 257 . 1 1 25 25 GLU HG2 H 1 1.895 0.024 . 2 . . . . 48 GLU HG2 . 30064 1 258 . 1 1 25 25 GLU HG3 H 1 1.895 0.024 . 2 . . . . 48 GLU HG3 . 30064 1 259 . 1 1 25 25 GLU C C 13 176.487 0.000 . 1 . . . . 48 GLU C . 30064 1 260 . 1 1 25 25 GLU CA C 13 58.066 0.100 . 1 . . . . 48 GLU CA . 30064 1 261 . 1 1 25 25 GLU CB C 13 28.428 0.090 . 1 . . . . 48 GLU CB . 30064 1 262 . 1 1 25 25 GLU CG C 13 34.504 0.084 . 1 . . . . 48 GLU CG . 30064 1 263 . 1 1 25 25 GLU N N 15 122.093 0.016 . 1 . . . . 48 GLU N . 30064 1 264 . 1 1 26 26 GLY H H 1 8.145 0.007 . 1 . . . . 49 GLY H . 30064 1 265 . 1 1 26 26 GLY HA2 H 1 3.605 0.038 . 2 . . . . 49 GLY HA2 . 30064 1 266 . 1 1 26 26 GLY HA3 H 1 4.245 0.039 . 2 . . . . 49 GLY HA3 . 30064 1 267 . 1 1 26 26 GLY C C 13 174.293 0.000 . 1 . . . . 49 GLY C . 30064 1 268 . 1 1 26 26 GLY CA C 13 44.997 0.035 . 1 . . . . 49 GLY CA . 30064 1 269 . 1 1 26 26 GLY N N 15 114.595 0.016 . 1 . . . . 49 GLY N . 30064 1 270 . 1 1 27 27 GLU H H 1 8.154 0.020 . 1 . . . . 50 GLU H . 30064 1 271 . 1 1 27 27 GLU HA H 1 4.781 0.032 . 1 . . . . 50 GLU HA . 30064 1 272 . 1 1 27 27 GLU HB2 H 1 2.209 0.028 . 2 . . . . 50 GLU HB2 . 30064 1 273 . 1 1 27 27 GLU HB3 H 1 2.465 0.041 . 2 . . . . 50 GLU HB3 . 30064 1 274 . 1 1 27 27 GLU HG2 H 1 2.375 0.026 . 2 . . . . 50 GLU HG2 . 30064 1 275 . 1 1 27 27 GLU HG3 H 1 2.324 0.064 . 2 . . . . 50 GLU HG3 . 30064 1 276 . 1 1 27 27 GLU CA C 13 53.930 0.101 . 1 . . . . 50 GLU CA . 30064 1 277 . 1 1 27 27 GLU CB C 13 28.395 0.106 . 1 . . . . 50 GLU CB . 30064 1 278 . 1 1 27 27 GLU CG C 13 36.402 0.009 . 1 . . . . 50 GLU CG . 30064 1 279 . 1 1 27 27 GLU N N 15 120.694 0.023 . 1 . . . . 50 GLU N . 30064 1 280 . 1 1 28 28 PRO HA H 1 4.283 0.035 . 1 . . . . 51 PRO HA . 30064 1 281 . 1 1 28 28 PRO HB2 H 1 1.947 0.059 . 2 . . . . 51 PRO HB2 . 30064 1 282 . 1 1 28 28 PRO HB3 H 1 2.355 0.032 . 2 . . . . 51 PRO HB3 . 30064 1 283 . 1 1 28 28 PRO HG2 H 1 2.046 0.034 . 2 . . . . 51 PRO HG2 . 30064 1 284 . 1 1 28 28 PRO HG3 H 1 2.243 0.040 . 2 . . . . 51 PRO HG3 . 30064 1 285 . 1 1 28 28 PRO HD2 H 1 3.958 0.049 . 2 . . . . 51 PRO HD2 . 30064 1 286 . 1 1 28 28 PRO HD3 H 1 3.786 0.037 . 2 . . . . 51 PRO HD3 . 30064 1 287 . 1 1 28 28 PRO C C 13 176.170 0.000 . 1 . . . . 51 PRO C . 30064 1 288 . 1 1 28 28 PRO CA C 13 64.191 0.120 . 1 . . . . 51 PRO CA . 30064 1 289 . 1 1 28 28 PRO CB C 13 32.043 0.035 . 1 . . . . 51 PRO CB . 30064 1 290 . 1 1 28 28 PRO CG C 13 27.892 0.029 . 1 . . . . 51 PRO CG . 30064 1 291 . 1 1 28 28 PRO CD C 13 50.769 0.067 . 1 . . . . 51 PRO CD . 30064 1 292 . 1 1 29 29 GLY H H 1 8.484 0.010 . 1 . . . . 52 GLY H . 30064 1 293 . 1 1 29 29 GLY HA2 H 1 3.217 0.038 . 2 . . . . 52 GLY HA2 . 30064 1 294 . 1 1 29 29 GLY HA3 H 1 4.077 0.038 . 2 . . . . 52 GLY HA3 . 30064 1 295 . 1 1 29 29 GLY C C 13 174.692 0.000 . 1 . . . . 52 GLY C . 30064 1 296 . 1 1 29 29 GLY CA C 13 44.786 0.133 . 1 . . . . 52 GLY CA . 30064 1 297 . 1 1 29 29 GLY N N 15 109.195 0.054 . 1 . . . . 52 GLY N . 30064 1 298 . 1 1 30 30 TYR H H 1 7.680 0.012 . 1 . . . . 53 TYR H . 30064 1 299 . 1 1 30 30 TYR HA H 1 3.438 0.038 . 1 . . . . 53 TYR HA . 30064 1 300 . 1 1 30 30 TYR HB2 H 1 2.940 0.035 . 2 . . . . 53 TYR HB2 . 30064 1 301 . 1 1 30 30 TYR HB3 H 1 3.009 0.046 . 2 . . . . 53 TYR HB3 . 30064 1 302 . 1 1 30 30 TYR HD1 H 1 6.942 0.002 . 3 . . . . 53 TYR HD1 . 30064 1 303 . 1 1 30 30 TYR HD2 H 1 6.942 0.002 . 3 . . . . 53 TYR HD2 . 30064 1 304 . 1 1 30 30 TYR CA C 13 62.172 0.123 . 1 . . . . 53 TYR CA . 30064 1 305 . 1 1 30 30 TYR CB C 13 37.987 0.032 . 1 . . . . 53 TYR CB . 30064 1 306 . 1 1 30 30 TYR N N 15 120.719 0.078 . 1 . . . . 53 TYR N . 30064 1 307 . 1 1 31 31 SER H H 1 5.349 0.007 . 1 . . . . 54 SER H . 30064 1 308 . 1 1 31 31 SER HA H 1 4.300 0.012 . 1 . . . . 54 SER HA . 30064 1 309 . 1 1 31 31 SER HB2 H 1 3.347 0.004 . 2 . . . . 54 SER HB2 . 30064 1 310 . 1 1 31 31 SER HB3 H 1 3.838 0.004 . 2 . . . . 54 SER HB3 . 30064 1 311 . 1 1 31 31 SER C C 13 174.140 0.000 . 1 . . . . 54 SER C . 30064 1 312 . 1 1 31 31 SER CA C 13 56.419 0.044 . 1 . . . . 54 SER CA . 30064 1 313 . 1 1 31 31 SER CB C 13 65.311 0.027 . 1 . . . . 54 SER CB . 30064 1 314 . 1 1 31 31 SER N N 15 119.057 0.021 . 1 . . . . 54 SER N . 30064 1 315 . 1 1 32 32 ALA H H 1 9.037 0.011 . 1 . . . . 55 ALA H . 30064 1 316 . 1 1 32 32 ALA HA H 1 4.030 0.039 . 1 . . . . 55 ALA HA . 30064 1 317 . 1 1 32 32 ALA HB1 H 1 1.529 0.038 . 1 . . . . 55 ALA HB1 . 30064 1 318 . 1 1 32 32 ALA HB2 H 1 1.529 0.038 . 1 . . . . 55 ALA HB2 . 30064 1 319 . 1 1 32 32 ALA HB3 H 1 1.529 0.038 . 1 . . . . 55 ALA HB3 . 30064 1 320 . 1 1 32 32 ALA C C 13 180.125 0.000 . 1 . . . . 55 ALA C . 30064 1 321 . 1 1 32 32 ALA CA C 13 55.025 0.090 . 1 . . . . 55 ALA CA . 30064 1 322 . 1 1 32 32 ALA CB C 13 18.121 0.160 . 1 . . . . 55 ALA CB . 30064 1 323 . 1 1 32 32 ALA N N 15 129.807 0.029 . 1 . . . . 55 ALA N . 30064 1 324 . 1 1 33 33 LYS H H 1 7.841 0.012 . 1 . . . . 56 LYS H . 30064 1 325 . 1 1 33 33 LYS HA H 1 3.996 0.035 . 1 . . . . 56 LYS HA . 30064 1 326 . 1 1 33 33 LYS HB2 H 1 1.709 0.033 . 2 . . . . 56 LYS HB2 . 30064 1 327 . 1 1 33 33 LYS HB3 H 1 1.709 0.033 . 2 . . . . 56 LYS HB3 . 30064 1 328 . 1 1 33 33 LYS HG2 H 1 1.362 0.042 . 2 . . . . 56 LYS HG2 . 30064 1 329 . 1 1 33 33 LYS HG3 H 1 1.362 0.042 . 2 . . . . 56 LYS HG3 . 30064 1 330 . 1 1 33 33 LYS HD2 H 1 1.615 0.032 . 2 . . . . 56 LYS HD2 . 30064 1 331 . 1 1 33 33 LYS HD3 H 1 1.615 0.032 . 2 . . . . 56 LYS HD3 . 30064 1 332 . 1 1 33 33 LYS HE2 H 1 2.956 0.032 . 2 . . . . 56 LYS HE2 . 30064 1 333 . 1 1 33 33 LYS HE3 H 1 2.956 0.032 . 2 . . . . 56 LYS HE3 . 30064 1 334 . 1 1 33 33 LYS C C 13 177.403 0.000 . 1 . . . . 56 LYS C . 30064 1 335 . 1 1 33 33 LYS CA C 13 58.189 0.030 . 1 . . . . 56 LYS CA . 30064 1 336 . 1 1 33 33 LYS CB C 13 32.146 0.075 . 1 . . . . 56 LYS CB . 30064 1 337 . 1 1 33 33 LYS CG C 13 24.808 0.080 . 1 . . . . 56 LYS CG . 30064 1 338 . 1 1 33 33 LYS CD C 13 29.032 0.077 . 1 . . . . 56 LYS CD . 30064 1 339 . 1 1 33 33 LYS CE C 13 42.197 0.098 . 1 . . . . 56 LYS CE . 30064 1 340 . 1 1 33 33 LYS N N 15 115.889 0.046 . 1 . . . . 56 LYS N . 30064 1 341 . 1 1 34 34 LEU H H 1 6.918 0.007 . 1 . . . . 57 LEU H . 30064 1 342 . 1 1 34 34 LEU HA H 1 4.208 0.042 . 1 . . . . 57 LEU HA . 30064 1 343 . 1 1 34 34 LEU HB2 H 1 1.348 0.029 . 2 . . . . 57 LEU HB2 . 30064 1 344 . 1 1 34 34 LEU HB3 H 1 1.749 0.042 . 2 . . . . 57 LEU HB3 . 30064 1 345 . 1 1 34 34 LEU HG H 1 1.336 0.051 . 1 . . . . 57 LEU HG . 30064 1 346 . 1 1 34 34 LEU HD11 H 1 0.496 0.034 . 2 . . . . 57 LEU HD11 . 30064 1 347 . 1 1 34 34 LEU HD12 H 1 0.496 0.034 . 2 . . . . 57 LEU HD12 . 30064 1 348 . 1 1 34 34 LEU HD13 H 1 0.496 0.034 . 2 . . . . 57 LEU HD13 . 30064 1 349 . 1 1 34 34 LEU HD21 H 1 0.654 0.033 . 2 . . . . 57 LEU HD21 . 30064 1 350 . 1 1 34 34 LEU HD22 H 1 0.654 0.033 . 2 . . . . 57 LEU HD22 . 30064 1 351 . 1 1 34 34 LEU HD23 H 1 0.654 0.033 . 2 . . . . 57 LEU HD23 . 30064 1 352 . 1 1 34 34 LEU C C 13 175.619 0.000 . 1 . . . . 57 LEU C . 30064 1 353 . 1 1 34 34 LEU CA C 13 54.384 0.078 . 1 . . . . 57 LEU CA . 30064 1 354 . 1 1 34 34 LEU CB C 13 41.347 0.068 . 1 . . . . 57 LEU CB . 30064 1 355 . 1 1 34 34 LEU CG C 13 26.454 0.083 . 1 . . . . 57 LEU CG . 30064 1 356 . 1 1 34 34 LEU CD1 C 13 25.239 0.106 . 1 . . . . 57 LEU CD1 . 30064 1 357 . 1 1 34 34 LEU CD2 C 13 21.308 0.066 . 1 . . . . 57 LEU CD2 . 30064 1 358 . 1 1 34 34 LEU N N 15 116.062 0.032 . 1 . . . . 57 LEU N . 30064 1 359 . 1 1 35 35 ASP H H 1 7.187 0.008 . 1 . . . . 58 ASP H . 30064 1 360 . 1 1 35 35 ASP HA H 1 5.194 0.060 . 1 . . . . 58 ASP HA . 30064 1 361 . 1 1 35 35 ASP HB2 H 1 2.079 0.035 . 2 . . . . 58 ASP HB2 . 30064 1 362 . 1 1 35 35 ASP HB3 H 1 3.088 0.041 . 2 . . . . 58 ASP HB3 . 30064 1 363 . 1 1 35 35 ASP C C 13 176.264 0.000 . 1 . . . . 58 ASP C . 30064 1 364 . 1 1 35 35 ASP CA C 13 51.287 0.089 . 1 . . . . 58 ASP CA . 30064 1 365 . 1 1 35 35 ASP CB C 13 40.197 0.056 . 1 . . . . 58 ASP CB . 30064 1 366 . 1 1 35 35 ASP N N 15 121.031 0.031 . 1 . . . . 58 ASP N . 30064 1 367 . 1 1 36 36 ARG H H 1 7.878 0.018 . 1 . . . . 59 ARG H . 30064 1 368 . 1 1 36 36 ARG HA H 1 3.898 0.040 . 1 . . . . 59 ARG HA . 30064 1 369 . 1 1 36 36 ARG HB2 H 1 1.851 0.034 . 2 . . . . 59 ARG HB2 . 30064 1 370 . 1 1 36 36 ARG HB3 H 1 1.851 0.034 . 2 . . . . 59 ARG HB3 . 30064 1 371 . 1 1 36 36 ARG HG2 H 1 1.694 0.033 . 2 . . . . 59 ARG HG2 . 30064 1 372 . 1 1 36 36 ARG HG3 H 1 1.694 0.033 . 2 . . . . 59 ARG HG3 . 30064 1 373 . 1 1 36 36 ARG HD2 H 1 3.237 0.032 . 2 . . . . 59 ARG HD2 . 30064 1 374 . 1 1 36 36 ARG HD3 H 1 3.237 0.032 . 2 . . . . 59 ARG HD3 . 30064 1 375 . 1 1 36 36 ARG HE H 1 7.177 0.003 . 1 . . . . 59 ARG HE . 30064 1 376 . 1 1 36 36 ARG C C 13 176.605 0.000 . 1 . . . . 59 ARG C . 30064 1 377 . 1 1 36 36 ARG CA C 13 59.173 0.085 . 1 . . . . 59 ARG CA . 30064 1 378 . 1 1 36 36 ARG CB C 13 29.988 0.055 . 1 . . . . 59 ARG CB . 30064 1 379 . 1 1 36 36 ARG CG C 13 27.204 0.127 . 1 . . . . 59 ARG CG . 30064 1 380 . 1 1 36 36 ARG CD C 13 43.161 0.088 . 1 . . . . 59 ARG CD . 30064 1 381 . 1 1 36 36 ARG N N 15 122.200 0.001 . 1 . . . . 59 ARG N . 30064 1 382 . 1 1 37 37 ASP H H 1 7.997 0.004 . 1 . . . . 60 ASP H . 30064 1 383 . 1 1 37 37 ASP HA H 1 4.456 0.035 . 1 . . . . 60 ASP HA . 30064 1 384 . 1 1 37 37 ASP HB2 H 1 2.497 0.031 . 1 . . . . 60 ASP HB2 . 30064 1 385 . 1 1 37 37 ASP HB3 H 1 2.942 0.037 . 1 . . . . 60 ASP HB3 . 30064 1 386 . 1 1 37 37 ASP C C 13 175.466 0.000 . 1 . . . . 60 ASP C . 30064 1 387 . 1 1 37 37 ASP CA C 13 52.081 0.105 . 1 . . . . 60 ASP CA . 30064 1 388 . 1 1 37 37 ASP CB C 13 38.880 0.043 . 1 . . . . 60 ASP CB . 30064 1 389 . 1 1 37 37 ASP N N 15 113.599 0.003 . 1 . . . . 60 ASP N . 30064 1 390 . 1 1 38 38 HIS H H 1 7.563 0.003 . 1 . . . . 61 HIS H . 30064 1 391 . 1 1 38 38 HIS HA H 1 4.253 0.035 . 1 . . . . 61 HIS HA . 30064 1 392 . 1 1 38 38 HIS HB2 H 1 3.322 0.032 . 2 . . . . 61 HIS HB2 . 30064 1 393 . 1 1 38 38 HIS HB3 H 1 3.382 0.038 . 2 . . . . 61 HIS HB3 . 30064 1 394 . 1 1 38 38 HIS HD2 H 1 7.198 0.002 . 1 . . . . 61 HIS HD2 . 30064 1 395 . 1 1 38 38 HIS HE1 H 1 8.498 0.002 . 1 . . . . 61 HIS HE1 . 30064 1 396 . 1 1 38 38 HIS C C 13 174.152 0.000 . 1 . . . . 61 HIS C . 30064 1 397 . 1 1 38 38 HIS CA C 13 55.947 0.071 . 1 . . . . 61 HIS CA . 30064 1 398 . 1 1 38 38 HIS CB C 13 26.400 0.073 . 1 . . . . 61 HIS CB . 30064 1 399 . 1 1 38 38 HIS N N 15 115.599 0.003 . 1 . . . . 61 HIS N . 30064 1 400 . 1 1 39 39 ASP H H 1 8.398 0.005 . 1 . . . . 62 ASP H . 30064 1 401 . 1 1 39 39 ASP HA H 1 4.714 0.006 . 1 . . . . 62 ASP HA . 30064 1 402 . 1 1 39 39 ASP HB2 H 1 2.390 0.009 . 2 . . . . 62 ASP HB2 . 30064 1 403 . 1 1 39 39 ASP HB3 H 1 3.029 0.003 . 2 . . . . 62 ASP HB3 . 30064 1 404 . 1 1 39 39 ASP C C 13 177.356 0.000 . 1 . . . . 62 ASP C . 30064 1 405 . 1 1 39 39 ASP CA C 13 52.986 0.026 . 1 . . . . 62 ASP CA . 30064 1 406 . 1 1 39 39 ASP CB C 13 40.903 0.043 . 1 . . . . 62 ASP CB . 30064 1 407 . 1 1 39 39 ASP N N 15 117.996 0.014 . 1 . . . . 62 ASP N . 30064 1 408 . 1 1 40 40 GLY H H 1 9.781 0.007 . 1 . . . . 63 GLY H . 30064 1 409 . 1 1 40 40 GLY HA2 H 1 3.429 0.036 . 2 . . . . 63 GLY HA2 . 30064 1 410 . 1 1 40 40 GLY HA3 H 1 4.234 0.037 . 2 . . . . 63 GLY HA3 . 30064 1 411 . 1 1 40 40 GLY C C 13 173.225 0.000 . 1 . . . . 63 GLY C . 30064 1 412 . 1 1 40 40 GLY CA C 13 45.319 0.139 . 1 . . . . 63 GLY CA . 30064 1 413 . 1 1 40 40 GLY N N 15 111.703 0.055 . 1 . . . . 63 GLY N . 30064 1 414 . 1 1 41 41 VAL H H 1 7.770 0.006 . 1 . . . . 64 VAL H . 30064 1 415 . 1 1 41 41 VAL HA H 1 4.568 0.042 . 1 . . . . 64 VAL HA . 30064 1 416 . 1 1 41 41 VAL HB H 1 1.870 0.036 . 1 . . . . 64 VAL HB . 30064 1 417 . 1 1 41 41 VAL HG11 H 1 0.384 0.033 . 2 . . . . 64 VAL HG11 . 30064 1 418 . 1 1 41 41 VAL HG12 H 1 0.384 0.033 . 2 . . . . 64 VAL HG12 . 30064 1 419 . 1 1 41 41 VAL HG13 H 1 0.384 0.033 . 2 . . . . 64 VAL HG13 . 30064 1 420 . 1 1 41 41 VAL HG21 H 1 0.504 0.033 . 2 . . . . 64 VAL HG21 . 30064 1 421 . 1 1 41 41 VAL HG22 H 1 0.504 0.033 . 2 . . . . 64 VAL HG22 . 30064 1 422 . 1 1 41 41 VAL HG23 H 1 0.504 0.033 . 2 . . . . 64 VAL HG23 . 30064 1 423 . 1 1 41 41 VAL C C 13 174.727 0.000 . 1 . . . . 64 VAL C . 30064 1 424 . 1 1 41 41 VAL CA C 13 60.952 0.090 . 1 . . . . 64 VAL CA . 30064 1 425 . 1 1 41 41 VAL CB C 13 33.100 0.131 . 1 . . . . 64 VAL CB . 30064 1 426 . 1 1 41 41 VAL CG1 C 13 20.380 0.138 . 1 . . . . 64 VAL CG1 . 30064 1 427 . 1 1 41 41 VAL CG2 C 13 21.585 0.072 . 1 . . . . 64 VAL CG2 . 30064 1 428 . 1 1 41 41 VAL N N 15 120.691 0.028 . 1 . . . . 64 VAL N . 30064 1 429 . 1 1 42 42 ALA H H 1 10.303 0.028 . 1 . . . . 65 ALA H . 30064 1 430 . 1 1 42 42 ALA HA H 1 4.739 0.039 . 1 . . . . 65 ALA HA . 30064 1 431 . 1 1 42 42 ALA HB1 H 1 1.252 0.035 . 1 . . . . 65 ALA HB1 . 30064 1 432 . 1 1 42 42 ALA HB2 H 1 1.252 0.035 . 1 . . . . 65 ALA HB2 . 30064 1 433 . 1 1 42 42 ALA HB3 H 1 1.252 0.035 . 1 . . . . 65 ALA HB3 . 30064 1 434 . 1 1 42 42 ALA C C 13 176.440 0.000 . 1 . . . . 65 ALA C . 30064 1 435 . 1 1 42 42 ALA CA C 13 50.455 0.059 . 1 . . . . 65 ALA CA . 30064 1 436 . 1 1 42 42 ALA CB C 13 21.616 0.034 . 1 . . . . 65 ALA CB . 30064 1 437 . 1 1 42 42 ALA N N 15 131.863 0.070 . 1 . . . . 65 ALA N . 30064 1 438 . 1 1 43 43 CYS H H 1 8.587 0.013 . 1 . . . . 66 CYS H . 30064 1 439 . 1 1 43 43 CYS HA H 1 4.737 0.034 . 1 . . . . 66 CYS HA . 30064 1 440 . 1 1 43 43 CYS HB2 H 1 2.672 0.026 . 2 . . . . 66 CYS HB2 . 30064 1 441 . 1 1 43 43 CYS HB3 H 1 2.983 0.024 . 2 . . . . 66 CYS HB3 . 30064 1 442 . 1 1 43 43 CYS C C 13 176.875 0.000 . 1 . . . . 66 CYS C . 30064 1 443 . 1 1 43 43 CYS CA C 13 53.021 0.076 . 1 . . . . 66 CYS CA . 30064 1 444 . 1 1 43 43 CYS CB C 13 31.308 0.019 . 1 . . . . 66 CYS CB . 30064 1 445 . 1 1 43 43 CYS N N 15 115.105 0.044 . 1 . . . . 66 CYS N . 30064 1 446 . 1 1 44 44 GLU H H 1 9.568 0.006 . 1 . . . . 67 GLU H . 30064 1 447 . 1 1 44 44 GLU HA H 1 4.409 0.032 . 1 . . . . 67 GLU HA . 30064 1 448 . 1 1 44 44 GLU HB2 H 1 2.207 0.001 . 2 . . . . 67 GLU HB2 . 30064 1 449 . 1 1 44 44 GLU HB3 H 1 2.005 0.005 . 2 . . . . 67 GLU HB3 . 30064 1 450 . 1 1 44 44 GLU HG2 H 1 2.311 0.005 . 2 . . . . 67 GLU HG2 . 30064 1 451 . 1 1 44 44 GLU HG3 H 1 2.425 0.001 . 2 . . . . 67 GLU HG3 . 30064 1 452 . 1 1 44 44 GLU C C 13 176.851 0.000 . 1 . . . . 67 GLU C . 30064 1 453 . 1 1 44 44 GLU CA C 13 57.511 0.045 . 1 . . . . 67 GLU CA . 30064 1 454 . 1 1 44 44 GLU CB C 13 29.621 0.022 . 1 . . . . 67 GLU CB . 30064 1 455 . 1 1 44 44 GLU CG C 13 36.423 0.037 . 1 . . . . 67 GLU CG . 30064 1 456 . 1 1 44 44 GLU N N 15 124.654 0.051 . 1 . . . . 67 GLU N . 30064 1 457 . 1 1 45 45 LEU H H 1 8.748 0.050 . 1 . . . . 68 LEU H . 30064 1 458 . 1 1 45 45 LEU HA H 1 4.137 0.036 . 1 . . . . 68 LEU HA . 30064 1 459 . 1 1 45 45 LEU HB2 H 1 1.381 0.042 . 2 . . . . 68 LEU HB2 . 30064 1 460 . 1 1 45 45 LEU HB3 H 1 1.468 0.044 . 2 . . . . 68 LEU HB3 . 30064 1 461 . 1 1 45 45 LEU HG H 1 1.322 0.038 . 1 . . . . 68 LEU HG . 30064 1 462 . 1 1 45 45 LEU HD11 H 1 0.201 0.035 . 2 . . . . 68 LEU HD11 . 30064 1 463 . 1 1 45 45 LEU HD12 H 1 0.201 0.035 . 2 . . . . 68 LEU HD12 . 30064 1 464 . 1 1 45 45 LEU HD13 H 1 0.201 0.035 . 2 . . . . 68 LEU HD13 . 30064 1 465 . 1 1 45 45 LEU HD21 H 1 0.438 0.034 . 2 . . . . 68 LEU HD21 . 30064 1 466 . 1 1 45 45 LEU HD22 H 1 0.438 0.034 . 2 . . . . 68 LEU HD22 . 30064 1 467 . 1 1 45 45 LEU HD23 H 1 0.438 0.034 . 2 . . . . 68 LEU HD23 . 30064 1 468 . 1 1 45 45 LEU C C 13 177.097 0.000 . 1 . . . . 68 LEU C . 30064 1 469 . 1 1 45 45 LEU CA C 13 55.542 0.097 . 1 . . . . 68 LEU CA . 30064 1 470 . 1 1 45 45 LEU CB C 13 42.955 0.090 . 1 . . . . 68 LEU CB . 30064 1 471 . 1 1 45 45 LEU CG C 13 26.736 0.097 . 1 . . . . 68 LEU CG . 30064 1 472 . 1 1 45 45 LEU CD1 C 13 23.160 0.057 . 1 . . . . 68 LEU CD1 . 30064 1 473 . 1 1 45 45 LEU CD2 C 13 24.008 0.067 . 1 . . . . 68 LEU CD2 . 30064 1 474 . 1 1 45 45 LEU N N 15 124.460 0.023 . 1 . . . . 68 LEU N . 30064 1 475 . 1 1 46 46 LYS H H 1 8.260 0.023 . 1 . . . . 69 LYS H . 30064 1 476 . 1 1 46 46 LYS HA H 1 4.285 0.036 . 1 . . . . 69 LYS HA . 30064 1 477 . 1 1 46 46 LYS HB2 H 1 1.679 0.000 . 2 . . . . 69 LYS HB2 . 30064 1 478 . 1 1 46 46 LYS HB3 H 1 1.815 0.024 . 2 . . . . 69 LYS HB3 . 30064 1 479 . 1 1 46 46 LYS HG2 H 1 1.313 0.029 . 2 . . . . 69 LYS HG2 . 30064 1 480 . 1 1 46 46 LYS HG3 H 1 1.313 0.029 . 2 . . . . 69 LYS HG3 . 30064 1 481 . 1 1 46 46 LYS HD2 H 1 1.626 0.035 . 2 . . . . 69 LYS HD2 . 30064 1 482 . 1 1 46 46 LYS HD3 H 1 1.626 0.035 . 2 . . . . 69 LYS HD3 . 30064 1 483 . 1 1 46 46 LYS HE2 H 1 2.934 0.042 . 2 . . . . 69 LYS HE2 . 30064 1 484 . 1 1 46 46 LYS HE3 H 1 2.934 0.042 . 2 . . . . 69 LYS HE3 . 30064 1 485 . 1 1 46 46 LYS C C 13 175.161 0.000 . 1 . . . . 69 LYS C . 30064 1 486 . 1 1 46 46 LYS CA C 13 55.991 0.051 . 1 . . . . 69 LYS CA . 30064 1 487 . 1 1 46 46 LYS CB C 13 33.008 0.053 . 1 . . . . 69 LYS CB . 30064 1 488 . 1 1 46 46 LYS CG C 13 24.366 0.075 . 1 . . . . 69 LYS CG . 30064 1 489 . 1 1 46 46 LYS CD C 13 28.985 0.068 . 1 . . . . 69 LYS CD . 30064 1 490 . 1 1 46 46 LYS CE C 13 42.021 0.038 . 1 . . . . 69 LYS CE . 30064 1 491 . 1 1 46 46 LYS N N 15 122.600 0.002 . 1 . . . . 69 LYS N . 30064 1 492 . 1 1 47 47 ASN H H 1 7.967 0.007 . 1 . . . . 70 ASN H . 30064 1 493 . 1 1 47 47 ASN HA H 1 4.400 0.041 . 1 . . . . 70 ASN HA . 30064 1 494 . 1 1 47 47 ASN HB2 H 1 2.586 0.030 . 2 . . . . 70 ASN HB2 . 30064 1 495 . 1 1 47 47 ASN HB3 H 1 2.685 0.033 . 2 . . . . 70 ASN HB3 . 30064 1 496 . 1 1 47 47 ASN HD21 H 1 6.729 0.005 . 2 . . . . 70 ASN HD21 . 30064 1 497 . 1 1 47 47 ASN HD22 H 1 7.436 0.007 . 2 . . . . 70 ASN HD22 . 30064 1 498 . 1 1 47 47 ASN CA C 13 54.629 0.104 . 1 . . . . 70 ASN CA . 30064 1 499 . 1 1 47 47 ASN CB C 13 40.240 0.061 . 1 . . . . 70 ASN CB . 30064 1 500 . 1 1 47 47 ASN N N 15 125.702 0.008 . 1 . . . . 70 ASN N . 30064 1 501 . 1 1 47 47 ASN ND2 N 15 113.336 0.034 . 1 . . . . 70 ASN ND2 . 30064 1 stop_ save_