data_5787 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments and secondary structure of the cytotoxic protein RNase 3 from oocytes of bullfrog Rana catesbeiana ; _BMRB_accession_number 5787 _BMRB_flat_file_name bmr5787.str _Entry_type original _Submission_date 2003-04-29 _Accession_date 2003-04-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lou Yuan-Chao . . 2 Pan Yun-Ru . . 3 Ho Yi-Hsuan . . 4 Liao You-Di . . 5 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 636 "13C chemical shifts" 484 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'Updating non-standard residue' 2004-09-29 update author 'update of chemical shift table' 2003-09-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments and secondary structure of the cytotoxic protein RNase 3 from oocytes of bullfrog Rana catesbeiana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lou Yuan-Chao . . 2 Pan Yun-Ru . . 3 Ho Yi-Hsuan . . 4 Liao You-Di . . 5 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 289 _Page_last 290 _Year 2003 _Details . loop_ _Keyword antitumor bullfrog cytotoxicity lectin ribonuclease stop_ save_ ################################## # Molecular system description # ################################## save_system_RC-RNase_3 _Saveframe_category molecular_system _Mol_system_name 'RC-RNase 3' _Abbreviation_common 'RC-RNase 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RC-RNase 3' $RC-RNase_3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function ribonulease antitumor 'cytotoxic protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RC-RNase_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RC-RNase 3' _Abbreviation_common 'RC-RNase 3' _Molecular_mass 11876 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; XDWETFQKKHLTDTKKVKCD VEMAKALFDCKKTNTFIYAL PGRVKALCKNIRDNTDVLSR DAFLLPQCDRIKLPCHYKLS SSTNTICITCVNQLPIHFAG VGSCP ; loop_ _Residue_seq_code _Residue_label 1 PCA 2 ASP 3 TRP 4 GLU 5 THR 6 PHE 7 GLN 8 LYS 9 LYS 10 HIS 11 LEU 12 THR 13 ASP 14 THR 15 LYS 16 LYS 17 VAL 18 LYS 19 CYS 20 ASP 21 VAL 22 GLU 23 MET 24 ALA 25 LYS 26 ALA 27 LEU 28 PHE 29 ASP 30 CYS 31 LYS 32 LYS 33 THR 34 ASN 35 THR 36 PHE 37 ILE 38 TYR 39 ALA 40 LEU 41 PRO 42 GLY 43 ARG 44 VAL 45 LYS 46 ALA 47 LEU 48 CYS 49 LYS 50 ASN 51 ILE 52 ARG 53 ASP 54 ASN 55 THR 56 ASP 57 VAL 58 LEU 59 SER 60 ARG 61 ASP 62 ALA 63 PHE 64 LEU 65 LEU 66 PRO 67 GLN 68 CYS 69 ASP 70 ARG 71 ILE 72 LYS 73 LEU 74 PRO 75 CYS 76 HIS 77 TYR 78 LYS 79 LEU 80 SER 81 SER 82 SER 83 THR 84 ASN 85 THR 86 ILE 87 CYS 88 ILE 89 THR 90 CYS 91 VAL 92 ASN 93 GLN 94 LEU 95 PRO 96 ILE 97 HIS 98 PHE 99 ALA 100 GLY 101 VAL 102 GLY 103 SER 104 CYS 105 PRO stop_ _Sequence_homology_query_date 2008-03-24 _Sequence_homology_query_revised_last_date 2007-10-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Z5F 'A Chain A, Solution Structure Of The CytotoxicRc-Rnase 3 With A Pyroglutamate Residue At TheN-Terminus' 100.00 105 100 100 2e-57 GenBank AAG31440.2 'AF242554_1 RC-RNase3 ribonucleaseprecursor [Rana catesbeiana]' 82.03 128 100 100 2e-57 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_PCA _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common 'PYROGLUTAMIC ACID' _BMRB_code . _PDB_code PCA _Standard_residue_derivative . _Molecular_mass 129.114 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 27 14:00:50 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE OE O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N CD ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? DOUB CD OE ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_PCA _Saveframe_category ligand _Mol_type non-polymer _Name_common PCA _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $RC-RNase_3 bullfrog 8400 Eukaryota Metazoa Rana catesbeiana oocyte stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RC-RNase_3 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-11d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RC-RNase_3 1.0 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RC-RNase_3 1.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Saveframe_category software _Name Xwinnmr _Version 2.6 loop_ _Task 'data processing' stop_ _Details . save_ save_Aurelia _Saveframe_category software _Name Aurelia _Version 2.1.3 loop_ _Task assignment stop_ _Details . save_ save_Nmrpipe _Saveframe_category software _Name Nmrpipe _Version 2.1 loop_ _Task 'data processing' stop_ _Details . save_ save_Nmrview _Saveframe_category software _Name Nmrview _Version 5.0 loop_ _Task assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_15N_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_3D_15N_TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label . save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_HC(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.5 0.1 n/a temperature 310 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RC-RNase 3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PCA H H 8.379 0.02 1 2 . 1 PCA HA H 4.111 0.02 1 3 . 1 PCA HB2 H 2.834 0.02 1 4 . 1 PCA HB3 H 2.302 0.02 1 5 . 1 PCA HG2 H 2.644 0.02 2 6 . 1 PCA HG3 H 2.644 0.02 2 7 . 1 PCA C C 175.880 0.2 1 8 . 1 PCA CA C 60.337 0.2 1 9 . 1 PCA CB C 27.906 0.2 1 10 . 1 PCA CG C 31.404 0.2 1 11 . 1 PCA N N 124.279 0.1 1 12 . 2 ASP H H 7.959 0.02 1 13 . 2 ASP HA H 4.746 0.02 1 14 . 2 ASP HB2 H 3.154 0.02 1 15 . 2 ASP HB3 H 3.154 0.02 1 16 . 2 ASP C C 174.728 0.2 1 17 . 2 ASP CA C 52.070 0.2 1 18 . 2 ASP CB C 42.126 0.2 1 19 . 2 ASP N N 114.136 0.1 1 20 . 3 TRP H H 9.602 0.02 1 21 . 3 TRP HA H 5.635 0.02 1 22 . 3 TRP HB2 H 3.526 0.02 1 23 . 3 TRP HB3 H 3.317 0.02 1 24 . 3 TRP HD1 H 7.384 0.02 1 25 . 3 TRP HE1 H 10.193 0.02 1 26 . 3 TRP HE3 H 8.290 0.02 1 27 . 3 TRP HZ2 H 7.308 0.02 1 28 . 3 TRP HZ3 H 6.811 0.02 1 29 . 3 TRP HH2 H 7.286 0.02 1 30 . 3 TRP C C 178.494 0.2 1 31 . 3 TRP CA C 58.251 0.2 1 32 . 3 TRP CB C 32.468 0.2 1 33 . 3 TRP CD1 C 128.925 0.2 1 34 . 3 TRP CE3 C 124.926 0.2 1 35 . 3 TRP CZ2 C 114.589 0.2 1 36 . 3 TRP CZ3 C 120.036 0.2 1 37 . 3 TRP CH2 C 123.330 0.2 1 38 . 3 TRP N N 124.678 0.1 1 39 . 3 TRP NE1 N 129.962 0.1 1 40 . 4 GLU H H 8.707 0.02 1 41 . 4 GLU HA H 3.782 0.02 1 42 . 4 GLU HB2 H 2.021 0.02 1 43 . 4 GLU HB3 H 2.021 0.02 1 44 . 4 GLU HG2 H 2.422 0.02 1 45 . 4 GLU HG3 H 2.200 0.02 1 46 . 4 GLU C C 178.990 0.2 1 47 . 4 GLU CA C 59.771 0.2 1 48 . 4 GLU CB C 27.665 0.2 1 49 . 4 GLU CG C 34.591 0.2 1 50 . 4 GLU N N 120.757 0.1 1 51 . 5 THR H H 8.910 0.02 1 52 . 5 THR HA H 3.942 0.02 1 53 . 5 THR HB H 3.739 0.02 1 54 . 5 THR HG2 H 1.248 0.02 1 55 . 5 THR C C 175.760 0.2 1 56 . 5 THR CA C 65.742 0.2 1 57 . 5 THR CB C 67.089 0.2 1 58 . 5 THR CG2 C 22.548 0.2 1 59 . 5 THR N N 118.196 0.1 1 60 . 6 PHE H H 8.796 0.02 1 61 . 6 PHE HA H 4.228 0.02 1 62 . 6 PHE HB2 H 3.615 0.02 1 63 . 6 PHE HB3 H 3.171 0.02 1 64 . 6 PHE HD1 H 7.165 0.02 1 65 . 6 PHE HD2 H 7.165 0.02 1 66 . 6 PHE HE1 H 7.024 0.02 1 67 . 6 PHE HE2 H 7.024 0.02 1 68 . 6 PHE HZ H 6.834 0.02 1 69 . 6 PHE C C 177.890 0.2 1 70 . 6 PHE CA C 61.930 0.2 1 71 . 6 PHE CB C 39.135 0.2 1 72 . 6 PHE CD1 C 132.878 0.2 1 73 . 6 PHE CD2 C 132.878 0.2 1 74 . 6 PHE CE1 C 129.972 0.2 1 75 . 6 PHE CE2 C 129.972 0.2 1 76 . 6 PHE CZ C 128.127 0.2 1 77 . 6 PHE N N 122.999 0.1 1 78 . 7 GLN H H 8.118 0.02 1 79 . 7 GLN HA H 3.647 0.02 1 80 . 7 GLN HB2 H 1.193 0.02 1 81 . 7 GLN HB3 H 1.193 0.02 1 82 . 7 GLN HG2 H 1.851 0.02 1 83 . 7 GLN HG3 H 1.851 0.02 1 84 . 7 GLN HE21 H 6.195 0.02 1 85 . 7 GLN HE22 H 4.472 0.02 1 86 . 7 GLN C C 178.649 0.2 1 87 . 7 GLN CA C 59.520 0.2 1 88 . 7 GLN CB C 30.229 0.2 1 89 . 7 GLN CG C 34.492 0.2 1 90 . 7 GLN N N 117.315 0.1 1 91 . 7 GLN NE2 N 107.564 0.1 1 92 . 8 LYS H H 7.449 0.02 1 93 . 8 LYS HA H 4.036 0.02 1 94 . 8 LYS HB2 H 1.807 0.02 1 95 . 8 LYS HB3 H 1.770 0.02 1 96 . 8 LYS HG2 H 1.487 0.02 1 97 . 8 LYS HG3 H 1.487 0.02 1 98 . 8 LYS HD2 H 1.710 0.02 1 99 . 8 LYS HD3 H 1.710 0.02 1 100 . 8 LYS HE2 H 2.944 0.02 1 101 . 8 LYS HE3 H 2.944 0.02 1 102 . 8 LYS C C 178.680 0.2 1 103 . 8 LYS CA C 58.946 0.2 1 104 . 8 LYS CB C 32.895 0.2 1 105 . 8 LYS CG C 25.188 0.2 1 106 . 8 LYS CD C 29.128 0.2 1 107 . 8 LYS CE C 42.023 0.2 1 108 . 8 LYS N N 118.131 0.1 1 109 . 9 LYS H H 8.261 0.02 1 110 . 9 LYS HA H 4.167 0.02 1 111 . 9 LYS HB2 H 1.626 0.02 1 112 . 9 LYS HB3 H 1.626 0.02 1 113 . 9 LYS HG2 H 1.090 0.02 1 114 . 9 LYS HG3 H 1.090 0.02 1 115 . 9 LYS HD2 H 1.398 0.02 1 116 . 9 LYS HD3 H 1.398 0.02 1 117 . 9 LYS HE2 H 2.882 0.02 1 118 . 9 LYS HE3 H 2.882 0.02 1 119 . 9 LYS C C 176.634 0.2 1 120 . 9 LYS CA C 57.489 0.2 1 121 . 9 LYS CB C 34.724 0.2 1 122 . 9 LYS CG C 26.475 0.2 1 123 . 9 LYS CD C 29.549 0.2 1 124 . 9 LYS CE C 41.720 0.2 1 125 . 9 LYS N N 115.307 0.1 1 126 . 10 HIS H H 7.803 0.02 1 127 . 10 HIS HA H 4.846 0.02 1 128 . 10 HIS HB2 H 2.767 0.02 1 129 . 10 HIS HB3 H 2.000 0.02 1 130 . 10 HIS HD2 H 6.786 0.02 1 131 . 10 HIS HE1 H 8.755 0.02 1 132 . 10 HIS C C 173.998 0.2 1 133 . 10 HIS CA C 55.370 0.2 1 134 . 10 HIS CB C 30.286 0.2 1 135 . 10 HIS CD2 C 122.074 0.2 1 136 . 10 HIS CE1 C 137.835 0.2 1 137 . 10 HIS N N 106.834 0.1 1 138 . 11 LEU H H 8.311 0.02 1 139 . 11 LEU HA H 5.406 0.02 1 140 . 11 LEU HB2 H 2.156 0.02 1 141 . 11 LEU HB3 H 2.156 0.02 1 142 . 11 LEU HG H 1.788 0.02 1 143 . 11 LEU HD1 H 1.103 0.02 1 144 . 11 LEU HD2 H 1.103 0.02 1 145 . 11 LEU C C 176.088 0.2 1 146 . 11 LEU CA C 55.178 0.2 1 147 . 11 LEU CB C 41.738 0.2 1 148 . 11 LEU CG C 26.267 0.2 1 149 . 11 LEU CD1 C 24.285 0.2 1 150 . 11 LEU CD2 C 24.285 0.2 1 151 . 11 LEU N N 120.994 0.1 1 152 . 12 THR H H 8.237 0.02 1 153 . 12 THR HA H 5.003 0.02 1 154 . 12 THR HB H 3.775 0.02 1 155 . 12 THR HG2 H 1.220 0.02 1 156 . 12 THR C C 171.678 0.2 1 157 . 12 THR CA C 58.813 0.2 1 158 . 12 THR CB C 69.998 0.2 1 159 . 12 THR CG2 C 19.537 0.2 1 160 . 12 THR N N 114.206 0.1 1 161 . 13 ASP H H 8.271 0.02 1 162 . 13 ASP HA H 4.874 0.02 1 163 . 13 ASP HB2 H 3.060 0.02 1 164 . 13 ASP HB3 H 2.766 0.02 1 165 . 13 ASP C C 175.311 0.2 1 166 . 13 ASP CA C 52.472 0.2 1 167 . 13 ASP CB C 39.360 0.2 1 168 . 13 ASP N N 125.154 0.1 1 169 . 14 THR H H 8.106 0.02 1 170 . 14 THR HA H 4.802 0.02 1 171 . 14 THR HB H 4.067 0.02 1 172 . 14 THR HG2 H 0.947 0.02 1 173 . 14 THR C C 172.387 0.2 1 174 . 14 THR CA C 58.915 0.2 1 175 . 14 THR CB C 69.593 0.2 1 176 . 14 THR CG2 C 19.268 0.2 1 177 . 14 THR N N 114.229 0.1 1 178 . 15 LYS H H 8.239 0.02 1 179 . 15 LYS HA H 3.623 0.02 1 180 . 15 LYS HB2 H 1.440 0.02 1 181 . 15 LYS HB3 H 1.440 0.02 1 182 . 15 LYS HG2 H 0.736 0.02 1 183 . 15 LYS HG3 H 0.405 0.02 1 184 . 15 LYS HD2 H 1.423 0.02 1 185 . 15 LYS HD3 H 1.423 0.02 1 186 . 15 LYS HE2 H 2.741 0.02 1 187 . 15 LYS HE3 H 2.741 0.02 1 188 . 15 LYS C C 176.948 0.2 1 189 . 15 LYS CA C 57.949 0.2 1 190 . 15 LYS CB C 32.306 0.2 1 191 . 15 LYS CG C 24.692 0.2 1 192 . 15 LYS CD C 29.281 0.2 1 193 . 15 LYS CE C 41.742 0.2 1 194 . 15 LYS N N 124.290 0.1 1 195 . 16 LYS H H 7.904 0.02 1 196 . 16 LYS HA H 4.277 0.02 1 197 . 16 LYS HB2 H 1.680 0.02 1 198 . 16 LYS HB3 H 1.680 0.02 1 199 . 16 LYS HG2 H 1.234 0.02 1 200 . 16 LYS HG3 H 1.234 0.02 1 201 . 16 LYS HD2 H 1.545 0.02 1 202 . 16 LYS HD3 H 1.545 0.02 1 203 . 16 LYS HE2 H 2.953 0.02 1 204 . 16 LYS HE3 H 2.953 0.02 1 205 . 16 LYS C C 174.770 0.2 1 206 . 16 LYS CA C 53.666 0.2 1 207 . 16 LYS CB C 30.617 0.2 1 208 . 16 LYS CG C 24.350 0.2 1 209 . 16 LYS CD C 28.913 0.2 1 210 . 16 LYS CE C 41.894 0.2 1 211 . 16 LYS N N 120.841 0.1 1 212 . 17 VAL H H 6.052 0.02 1 213 . 17 VAL HA H 3.325 0.02 1 214 . 17 VAL HB H 1.441 0.02 1 215 . 17 VAL HG1 H 0.405 0.02 1 216 . 17 VAL HG2 H 0.105 0.02 1 217 . 17 VAL C C 175.994 0.2 1 218 . 17 VAL CA C 62.623 0.2 1 219 . 17 VAL CB C 32.235 0.2 1 220 . 17 VAL CG1 C 21.082 0.2 1 221 . 17 VAL CG2 C 19.392 0.2 1 222 . 17 VAL N N 121.789 0.1 1 223 . 18 LYS H H 8.665 0.02 1 224 . 18 LYS HA H 4.488 0.02 1 225 . 18 LYS HB2 H 1.886 0.02 1 226 . 18 LYS HB3 H 1.886 0.02 1 227 . 18 LYS HG2 H 1.548 0.02 1 228 . 18 LYS HG3 H 1.548 0.02 1 229 . 18 LYS HD2 H 1.748 0.02 1 230 . 18 LYS HD3 H 1.748 0.02 1 231 . 18 LYS HE2 H 3.062 0.02 1 232 . 18 LYS HE3 H 3.062 0.02 1 233 . 18 LYS C C 176.794 0.2 1 234 . 18 LYS CA C 53.827 0.2 1 235 . 18 LYS CB C 29.301 0.2 1 236 . 18 LYS CG C 19.141 0.2 1 237 . 18 LYS CD C 24.296 0.2 1 238 . 18 LYS CE C 42.046 0.2 1 239 . 18 LYS N N 128.767 0.1 1 240 . 19 CYS H H 8.066 0.02 1 241 . 19 CYS HA H 3.692 0.02 1 242 . 19 CYS HB2 H 3.027 0.02 1 243 . 19 CYS HB3 H 2.339 0.02 1 244 . 19 CYS C C 174.536 0.2 1 245 . 19 CYS CA C 58.997 0.2 1 246 . 19 CYS CB C 40.173 0.2 1 247 . 19 CYS N N 122.110 0.1 1 248 . 20 ASP H H 8.880 0.02 1 249 . 20 ASP HA H 4.453 0.02 1 250 . 20 ASP HB2 H 3.056 0.02 1 251 . 20 ASP HB3 H 2.905 0.02 1 252 . 20 ASP C C 177.547 0.2 1 253 . 20 ASP CA C 57.451 0.2 1 254 . 20 ASP CB C 38.424 0.2 1 255 . 20 ASP N N 118.616 0.1 1 256 . 21 VAL H H 7.035 0.02 1 257 . 21 VAL HA H 3.945 0.02 1 258 . 21 VAL HB H 2.122 0.02 1 259 . 21 VAL HG1 H 1.018 0.02 1 260 . 21 VAL HG2 H 1.018 0.02 1 261 . 21 VAL C C 178.081 0.2 1 262 . 21 VAL CA C 64.426 0.2 1 263 . 21 VAL CB C 32.359 0.2 1 264 . 21 VAL CG1 C 21.148 0.2 1 265 . 21 VAL CG2 C 21.148 0.2 1 266 . 21 VAL N N 117.356 0.1 1 267 . 22 GLU H H 8.113 0.02 1 268 . 22 GLU HA H 4.079 0.02 1 269 . 22 GLU HB2 H 2.110 0.02 1 270 . 22 GLU HB3 H 2.110 0.02 1 271 . 22 GLU HG2 H 2.206 0.02 1 272 . 22 GLU HG3 H 2.179 0.02 1 273 . 22 GLU C C 178.190 0.2 1 274 . 22 GLU CA C 58.604 0.2 1 275 . 22 GLU CB C 28.918 0.2 1 276 . 22 GLU CG C 32.970 0.2 1 277 . 22 GLU N N 118.165 0.1 1 278 . 23 MET H H 8.323 0.02 1 279 . 23 MET HA H 4.247 0.02 1 280 . 23 MET HB2 H 1.679 0.02 1 281 . 23 MET HB3 H 1.739 0.02 1 282 . 23 MET HG2 H 2.977 0.02 1 283 . 23 MET HG3 H 2.977 0.02 1 284 . 23 MET C C 175.977 0.2 1 285 . 23 MET CA C 54.644 0.2 1 286 . 23 MET CB C 30.090 0.2 1 287 . 23 MET CG C 30.794 0.2 1 288 . 23 MET N N 110.225 0.1 1 289 . 24 ALA H H 6.621 0.02 1 290 . 24 ALA HA H 4.796 0.02 1 291 . 24 ALA HB H 1.612 0.02 1 292 . 24 ALA C C 179.472 0.2 1 293 . 24 ALA CA C 51.998 0.2 1 294 . 24 ALA CB C 19.254 0.2 1 295 . 24 ALA N N 117.038 0.1 1 296 . 25 LYS H H 7.632 0.02 1 297 . 25 LYS HA H 4.369 0.02 1 298 . 25 LYS HB2 H 2.256 0.02 1 299 . 25 LYS HB3 H 2.256 0.02 1 300 . 25 LYS HG2 H 1.630 0.02 1 301 . 25 LYS HG3 H 1.630 0.02 1 302 . 25 LYS HD2 H 1.992 0.02 1 303 . 25 LYS HD3 H 1.992 0.02 1 304 . 25 LYS HE2 H 3.288 0.02 1 305 . 25 LYS HE3 H 3.288 0.02 1 306 . 25 LYS C C 178.214 0.2 1 307 . 25 LYS CA C 57.193 0.2 1 308 . 25 LYS CB C 33.178 0.2 1 309 . 25 LYS CG C 26.053 0.2 1 310 . 25 LYS CD C 29.365 0.2 1 311 . 25 LYS CE C 42.309 0.2 1 312 . 25 LYS N N 118.953 0.1 1 313 . 26 ALA H H 8.711 0.02 1 314 . 26 ALA HA H 4.187 0.02 1 315 . 26 ALA HB H 1.488 0.02 1 316 . 26 ALA C C 177.965 0.2 1 317 . 26 ALA CA C 54.950 0.2 1 318 . 26 ALA CB C 18.198 0.2 1 319 . 26 ALA N N 125.741 0.1 1 320 . 27 LEU H H 7.270 0.02 1 321 . 27 LEU HA H 3.860 0.02 1 322 . 27 LEU HB2 H 1.144 0.02 1 323 . 27 LEU HB3 H 1.144 0.02 1 324 . 27 LEU HG H 0.886 0.02 1 325 . 27 LEU HD1 H 0.731 0.02 1 326 . 27 LEU HD2 H 0.731 0.02 1 327 . 27 LEU C C 176.126 0.2 1 328 . 27 LEU CA C 56.622 0.2 1 329 . 27 LEU CB C 42.442 0.2 1 330 . 27 LEU CG C 25.959 0.2 1 331 . 27 LEU CD1 C 24.602 0.2 1 332 . 27 LEU CD2 C 24.602 0.2 1 333 . 27 LEU N N 114.137 0.1 1 334 . 28 PHE H H 7.335 0.02 1 335 . 28 PHE HA H 4.675 0.02 1 336 . 28 PHE HB2 H 3.307 0.02 1 337 . 28 PHE HB3 H 3.099 0.02 1 338 . 28 PHE HD1 H 7.236 0.02 1 339 . 28 PHE HD2 H 7.236 0.02 1 340 . 28 PHE HE1 H 7.502 0.02 1 341 . 28 PHE HE2 H 7.502 0.02 1 342 . 28 PHE HZ H 7.242 0.02 1 343 . 28 PHE C C 176.871 0.2 1 344 . 28 PHE CA C 57.959 0.2 1 345 . 28 PHE CB C 42.049 0.2 1 346 . 28 PHE CD1 C 131.504 0.2 1 347 . 28 PHE CD2 C 131.504 0.2 1 348 . 28 PHE CE1 C 130.718 0.2 1 349 . 28 PHE CE2 C 130.718 0.2 1 350 . 28 PHE CZ C 131.711 0.2 1 351 . 28 PHE N N 114.156 0.1 1 352 . 29 ASP H H 9.052 0.02 1 353 . 29 ASP HA H 4.411 0.02 1 354 . 29 ASP HB2 H 3.192 0.02 1 355 . 29 ASP HB3 H 2.567 0.02 1 356 . 29 ASP C C 174.428 0.2 1 357 . 29 ASP CA C 53.993 0.2 1 358 . 29 ASP CB C 37.594 0.2 1 359 . 29 ASP N N 117.248 0.1 1 360 . 30 CYS H H 9.239 0.02 1 361 . 30 CYS HA H 4.651 0.02 1 362 . 30 CYS HB2 H 3.821 0.02 1 363 . 30 CYS HB3 H 3.339 0.02 1 364 . 30 CYS C C 175.618 0.2 1 365 . 30 CYS CA C 57.361 0.2 1 366 . 30 CYS CB C 40.749 0.2 1 367 . 30 CYS N N 109.836 0.1 1 368 . 31 LYS H H 6.889 0.02 1 369 . 31 LYS HA H 4.432 0.02 1 370 . 31 LYS HB2 H 2.315 0.02 1 371 . 31 LYS HB3 H 2.315 0.02 1 372 . 31 LYS HG2 H 1.524 0.02 1 373 . 31 LYS HG3 H 1.524 0.02 1 374 . 31 LYS HD2 H 2.116 0.02 1 375 . 31 LYS HD3 H 2.116 0.02 1 376 . 31 LYS HE2 H 3.343 0.02 1 377 . 31 LYS HE3 H 3.343 0.02 1 378 . 31 LYS C C 177.188 0.2 1 379 . 31 LYS CA C 55.794 0.2 1 380 . 31 LYS CB C 31.888 0.2 1 381 . 31 LYS CG C 23.558 0.2 1 382 . 31 LYS CD C 29.645 0.2 1 383 . 31 LYS CE C 41.462 0.2 1 384 . 31 LYS N N 113.838 0.1 1 385 . 32 LYS H H 8.603 0.02 1 386 . 32 LYS HA H 3.774 0.02 1 387 . 32 LYS HB2 H 1.995 0.02 2 388 . 32 LYS HB3 H 1.925 0.02 2 389 . 32 LYS HG2 H 1.612 0.02 1 390 . 32 LYS HG3 H 1.578 0.02 1 391 . 32 LYS HD2 H 1.812 0.02 1 392 . 32 LYS HD3 H 1.765 0.02 1 393 . 32 LYS HE2 H 3.072 0.02 1 394 . 32 LYS HE3 H 3.072 0.02 1 395 . 32 LYS C C 175.348 0.2 1 396 . 32 LYS CA C 60.800 0.2 1 397 . 32 LYS CB C 32.667 0.2 1 398 . 32 LYS CG C 25.341 0.2 1 399 . 32 LYS CD C 29.248 0.2 1 400 . 32 LYS CE C 42.062 0.2 1 401 . 32 LYS N N 121.477 0.1 1 402 . 33 THR H H 7.627 0.02 1 403 . 33 THR HA H 5.720 0.02 1 404 . 33 THR HB H 4.172 0.02 1 405 . 33 THR HG2 H 1.148 0.02 1 406 . 33 THR C C 173.335 0.2 1 407 . 33 THR CA C 59.493 0.2 1 408 . 33 THR CB C 70.320 0.2 1 409 . 33 THR CG2 C 19.984 0.2 1 410 . 33 THR N N 108.878 0.1 1 411 . 34 ASN H H 8.025 0.02 1 412 . 34 ASN HA H 4.737 0.02 1 413 . 34 ASN HB2 H 2.187 0.02 1 414 . 34 ASN HB3 H 1.955 0.02 1 415 . 34 ASN HD21 H 6.306 0.02 1 416 . 34 ASN HD22 H 3.678 0.02 1 417 . 34 ASN C C 172.583 0.2 1 418 . 34 ASN CA C 55.137 0.2 1 419 . 34 ASN CB C 44.056 0.2 1 420 . 34 ASN N N 119.592 0.1 1 421 . 34 ASN ND2 N 114.391 0.1 1 422 . 35 THR H H 8.525 0.02 1 423 . 35 THR HA H 4.403 0.02 1 424 . 35 THR HB H 3.378 0.02 1 425 . 35 THR HG2 H 1.257 0.02 1 426 . 35 THR C C 171.576 0.2 1 427 . 35 THR CA C 63.421 0.2 1 428 . 35 THR CB C 68.791 0.2 1 429 . 35 THR CG2 C 23.564 0.2 1 430 . 35 THR N N 124.820 0.1 1 431 . 36 PHE H H 9.400 0.02 1 432 . 36 PHE HA H 4.911 0.02 1 433 . 36 PHE HB2 H 3.003 0.02 1 434 . 36 PHE HB3 H 2.773 0.02 1 435 . 36 PHE HD1 H 6.993 0.02 1 436 . 36 PHE HD2 H 6.993 0.02 1 437 . 36 PHE HE1 H 7.086 0.02 1 438 . 36 PHE HE2 H 7.086 0.02 1 439 . 36 PHE HZ H 6.482 0.02 1 440 . 36 PHE C C 172.073 0.2 1 441 . 36 PHE CA C 55.999 0.2 1 442 . 36 PHE CB C 41.017 0.2 1 443 . 36 PHE CD1 C 129.619 0.2 1 444 . 36 PHE CD2 C 129.619 0.2 1 445 . 36 PHE CE1 C 131.713 0.2 1 446 . 36 PHE CE2 C 131.713 0.2 1 447 . 36 PHE CZ C 128.599 0.2 1 448 . 36 PHE N N 128.173 0.1 1 449 . 37 ILE H H 8.771 0.02 1 450 . 37 ILE HA H 4.552 0.02 1 451 . 37 ILE HB H 1.788 0.02 1 452 . 37 ILE HG12 H 1.390 0.02 1 453 . 37 ILE HG13 H 1.390 0.02 1 454 . 37 ILE HG2 H 0.632 0.02 1 455 . 37 ILE HD1 H 0.579 0.02 1 456 . 37 ILE C C 176.125 0.2 1 457 . 37 ILE CA C 60.372 0.2 1 458 . 37 ILE CB C 40.655 0.2 1 459 . 37 ILE CG1 C 26.541 0.2 1 460 . 37 ILE CG2 C 18.207 0.2 1 461 . 37 ILE CD1 C 14.589 0.2 1 462 . 37 ILE N N 115.442 0.1 1 463 . 38 TYR H H 8.772 0.02 1 464 . 38 TYR HA H 5.380 0.02 1 465 . 38 TYR HB2 H 3.432 0.02 1 466 . 38 TYR HB3 H 2.483 0.02 1 467 . 38 TYR HD1 H 7.132 0.02 1 468 . 38 TYR HD2 H 7.132 0.02 1 469 . 38 TYR HE1 H 6.711 0.02 1 470 . 38 TYR HE2 H 6.711 0.02 1 471 . 38 TYR C C 172.784 0.2 1 472 . 38 TYR CA C 55.570 0.2 1 473 . 38 TYR CB C 36.909 0.2 1 474 . 38 TYR CD1 C 133.664 0.2 1 475 . 38 TYR CD2 C 133.664 0.2 1 476 . 38 TYR CE1 C 117.883 0.2 1 477 . 38 TYR CE2 C 117.883 0.2 1 478 . 38 TYR N N 128.355 0.1 1 479 . 39 ALA H H 7.728 0.02 1 480 . 39 ALA HA H 4.442 0.02 1 481 . 39 ALA HB H 1.455 0.02 1 482 . 39 ALA C C 175.251 0.2 1 483 . 39 ALA CA C 51.200 0.2 1 484 . 39 ALA CB C 22.429 0.2 1 485 . 39 ALA N N 128.125 0.1 1 486 . 40 LEU H H 8.140 0.02 1 487 . 40 LEU HA H 4.715 0.02 1 488 . 40 LEU HB2 H 1.681 0.02 1 489 . 40 LEU HB3 H 1.786 0.02 1 490 . 40 LEU HG H 1.843 0.02 1 491 . 40 LEU HD1 H 1.036 0.02 1 492 . 40 LEU HD2 H 1.036 0.02 1 493 . 40 LEU C C 177.113 0.2 1 494 . 40 LEU CA C 52.531 0.2 1 495 . 40 LEU CB C 40.921 0.2 1 496 . 40 LEU CG C 26.683 0.2 1 497 . 40 LEU CD1 C 24.543 0.2 1 498 . 40 LEU CD2 C 24.543 0.2 1 499 . 40 LEU N N 120.145 0.1 1 500 . 41 PRO HA H 4.339 0.02 1 501 . 41 PRO HB2 H 2.487 0.02 1 502 . 41 PRO HB3 H 2.341 0.02 1 503 . 41 PRO HG2 H 2.267 0.02 1 504 . 41 PRO HG3 H 2.140 0.02 1 505 . 41 PRO HD2 H 4.097 0.02 1 506 . 41 PRO HD3 H 3.927 0.02 1 507 . 41 PRO C C 179.156 0.2 1 508 . 41 PRO CA C 65.585 0.2 1 509 . 41 PRO CB C 31.603 0.2 1 510 . 41 PRO CG C 27.677 0.2 1 511 . 41 PRO CD C 50.167 0.2 1 512 . 42 GLY H H 8.858 0.02 1 513 . 42 GLY HA2 H 4.045 0.02 1 514 . 42 GLY HA3 H 3.837 0.02 1 515 . 42 GLY C C 176.320 0.2 1 516 . 42 GLY CA C 47.076 0.2 1 517 . 42 GLY N N 103.295 0.1 1 518 . 43 ARG H H 7.404 0.02 1 519 . 43 ARG HA H 4.320 0.02 1 520 . 43 ARG HB2 H 2.160 0.02 1 521 . 43 ARG HB3 H 2.160 0.02 1 522 . 43 ARG HG2 H 1.904 0.02 1 523 . 43 ARG HG3 H 1.904 0.02 1 524 . 43 ARG HD2 H 3.367 0.02 1 525 . 43 ARG HD3 H 3.367 0.02 1 526 . 43 ARG C C 177.710 0.2 1 527 . 43 ARG CA C 57.825 0.2 1 528 . 43 ARG CB C 30.238 0.2 1 529 . 43 ARG CG C 27.339 0.2 1 530 . 43 ARG CD C 43.274 0.2 1 531 . 43 ARG N N 120.365 0.1 1 532 . 44 VAL H H 7.163 0.02 1 533 . 44 VAL HA H 3.873 0.02 1 534 . 44 VAL HB H 2.242 0.02 1 535 . 44 VAL HG1 H 0.987 0.02 1 536 . 44 VAL HG2 H 0.987 0.02 1 537 . 44 VAL C C 177.064 0.2 1 538 . 44 VAL CA C 64.562 0.2 1 539 . 44 VAL CB C 31.638 0.2 1 540 . 44 VAL CG1 C 23.207 0.2 1 541 . 44 VAL CG2 C 21.775 0.2 1 542 . 44 VAL N N 116.786 0.1 1 543 . 45 LYS H H 8.582 0.02 1 544 . 45 LYS HA H 3.079 0.02 1 545 . 45 LYS HB2 H 1.673 0.02 1 546 . 45 LYS HB3 H 1.673 0.02 1 547 . 45 LYS HG2 H 1.104 0.02 1 548 . 45 LYS HG3 H 1.104 0.02 1 549 . 45 LYS HD2 H 1.563 0.02 1 550 . 45 LYS HD3 H 1.563 0.02 1 551 . 45 LYS C C 178.675 0.2 1 552 . 45 LYS CA C 59.278 0.2 1 553 . 45 LYS CB C 32.150 0.2 1 554 . 45 LYS CG C 24.311 0.2 1 555 . 45 LYS CD C 29.211 0.2 1 556 . 45 LYS CE C 41.565 0.2 1 557 . 45 LYS N N 119.463 0.1 1 558 . 46 ALA H H 7.166 0.02 1 559 . 46 ALA HA H 4.025 0.02 1 560 . 46 ALA HB H 1.540 0.02 1 561 . 46 ALA C C 179.002 0.2 1 562 . 46 ALA CA C 53.925 0.2 1 563 . 46 ALA CB C 18.369 0.2 1 564 . 46 ALA N N 117.962 0.1 1 565 . 47 LEU H H 7.386 0.02 1 566 . 47 LEU HA H 4.111 0.02 1 567 . 47 LEU HB2 H 2.018 0.02 1 568 . 47 LEU HB3 H 2.018 0.02 1 569 . 47 LEU HG H 1.352 0.02 1 570 . 47 LEU HD1 H 1.054 0.02 1 571 . 47 LEU HD2 H 1.054 0.02 1 572 . 47 LEU C C 177.889 0.2 1 573 . 47 LEU CA C 56.702 0.2 1 574 . 47 LEU CB C 41.855 0.2 1 575 . 47 LEU CG C 26.400 0.2 1 576 . 47 LEU CD1 C 23.386 0.2 1 577 . 47 LEU CD2 C 23.386 0.2 1 578 . 47 LEU N N 116.764 0.1 1 579 . 48 CYS H H 6.990 0.02 1 580 . 48 CYS HA H 4.781 0.02 1 581 . 48 CYS HB2 H 2.797 0.02 1 582 . 48 CYS HB3 H 2.049 0.02 1 583 . 48 CYS C C 174.529 0.2 1 584 . 48 CYS CA C 52.809 0.2 1 585 . 48 CYS CB C 38.237 0.2 1 586 . 48 CYS N N 110.144 0.1 1 587 . 49 LYS H H 7.041 0.02 1 588 . 49 LYS HA H 3.965 0.02 1 589 . 49 LYS HB2 H 1.814 0.02 1 590 . 49 LYS HB3 H 1.814 0.02 1 591 . 49 LYS HG2 H 1.422 0.02 1 592 . 49 LYS HG3 H 1.422 0.02 1 593 . 49 LYS HE2 H 3.081 0.02 1 594 . 49 LYS HE3 H 3.081 0.02 1 595 . 49 LYS C C 176.985 0.2 1 596 . 49 LYS CA C 58.184 0.2 1 597 . 49 LYS CB C 31.833 0.2 1 598 . 49 LYS CG C 24.382 0.2 1 599 . 49 LYS CD C 28.878 0.2 1 600 . 49 LYS CE C 42.030 0.2 1 601 . 49 LYS N N 123.087 0.1 1 602 . 50 ASN H H 9.197 0.02 1 603 . 50 ASN HA H 4.220 0.02 1 604 . 50 ASN HB2 H 3.116 0.02 1 605 . 50 ASN HB3 H 2.974 0.02 1 606 . 50 ASN HD21 H 7.511 0.02 1 607 . 50 ASN HD22 H 6.866 0.02 1 608 . 50 ASN C C 173.718 0.2 1 609 . 50 ASN CA C 54.861 0.2 1 610 . 50 ASN CB C 37.170 0.2 1 611 . 50 ASN N N 119.510 0.1 1 612 . 50 ASN ND2 N 112.813 0.1 1 613 . 51 ILE H H 7.309 0.02 1 614 . 51 ILE HA H 4.233 0.02 1 615 . 51 ILE HB H 1.879 0.02 1 616 . 51 ILE HG12 H 1.505 0.02 1 617 . 51 ILE HG13 H 1.339 0.02 1 618 . 51 ILE HG2 H 0.892 0.02 1 619 . 51 ILE HD1 H 0.723 0.02 1 620 . 51 ILE C C 177.042 0.2 1 621 . 51 ILE CA C 57.473 0.2 1 622 . 51 ILE CB C 35.108 0.2 1 623 . 51 ILE CG1 C 25.802 0.2 1 624 . 51 ILE CG2 C 17.153 0.2 1 625 . 51 ILE CD1 C 8.501 0.2 1 626 . 51 ILE N N 120.735 0.1 1 627 . 52 ARG H H 8.432 0.02 1 628 . 52 ARG HA H 4.125 0.02 1 629 . 52 ARG HB2 H 1.801 0.02 1 630 . 52 ARG HB3 H 1.801 0.02 1 631 . 52 ARG HG2 H 1.751 0.02 1 632 . 52 ARG HG3 H 1.751 0.02 1 633 . 52 ARG HD2 H 3.282 0.02 1 634 . 52 ARG HD3 H 3.282 0.02 1 635 . 52 ARG C C 176.307 0.2 1 636 . 52 ARG CA C 56.695 0.2 1 637 . 52 ARG CB C 30.441 0.2 1 638 . 52 ARG CG C 27.606 0.2 1 639 . 52 ARG CD C 43.216 0.2 1 640 . 52 ARG N N 129.476 0.1 1 641 . 53 ASP H H 8.515 0.02 1 642 . 53 ASP HA H 4.588 0.02 1 643 . 53 ASP HB2 H 2.779 0.02 1 644 . 53 ASP HB3 H 2.779 0.02 1 645 . 53 ASP C C 176.899 0.2 1 646 . 53 ASP CA C 55.753 0.2 1 647 . 53 ASP CB C 40.712 0.2 1 648 . 53 ASP N N 122.615 0.1 1 649 . 54 ASN H H 9.277 0.02 1 650 . 54 ASN HA H 4.086 0.02 1 651 . 54 ASN HB2 H 3.003 0.02 1 652 . 54 ASN HB3 H 3.003 0.02 1 653 . 54 ASN HD21 H 7.467 0.02 1 654 . 54 ASN HD22 H 6.769 0.02 1 655 . 54 ASN C C 174.092 0.2 1 656 . 54 ASN CA C 54.489 0.2 1 657 . 54 ASN CB C 36.693 0.2 1 658 . 54 ASN N N 114.423 0.1 1 659 . 54 ASN ND2 N 112.745 0.1 1 660 . 55 THR H H 7.657 0.02 1 661 . 55 THR HA H 4.521 0.02 1 662 . 55 THR HB H 4.082 0.02 1 663 . 55 THR HG2 H 1.172 0.02 1 664 . 55 THR C C 172.159 0.2 1 665 . 55 THR CA C 61.451 0.2 1 666 . 55 THR CB C 70.494 0.2 1 667 . 55 THR CG2 C 20.967 0.2 1 668 . 55 THR N N 113.306 0.1 1 669 . 56 ASP H H 8.338 0.02 1 670 . 56 ASP HA H 5.811 0.02 1 671 . 56 ASP HB2 H 2.786 0.02 1 672 . 56 ASP HB3 H 2.786 0.02 1 673 . 56 ASP C C 174.670 0.2 1 674 . 56 ASP CA C 51.182 0.2 1 675 . 56 ASP CB C 38.242 0.2 1 676 . 56 ASP N N 122.086 0.1 1 677 . 57 VAL H H 9.229 0.02 1 678 . 57 VAL HA H 4.440 0.02 1 679 . 57 VAL HB H 1.898 0.02 1 680 . 57 VAL HG1 H 0.943 0.02 1 681 . 57 VAL HG2 H 0.943 0.02 1 682 . 57 VAL C C 171.835 0.2 1 683 . 57 VAL CA C 59.488 0.2 1 684 . 57 VAL CB C 35.094 0.2 1 685 . 57 VAL CG1 C 20.905 0.2 1 686 . 57 VAL CG2 C 20.905 0.2 1 687 . 57 VAL N N 122.667 0.1 1 688 . 58 LEU H H 8.134 0.02 1 689 . 58 LEU HA H 5.203 0.02 1 690 . 58 LEU HB2 H 1.826 0.02 1 691 . 58 LEU HB3 H 1.450 0.02 1 692 . 58 LEU HG H 1.790 0.02 1 693 . 58 LEU HD1 H 0.908 0.02 1 694 . 58 LEU HD2 H 0.609 0.02 1 695 . 58 LEU C C 177.663 0.2 1 696 . 58 LEU CA C 51.953 0.2 1 697 . 58 LEU CB C 43.984 0.2 1 698 . 58 LEU CG C 26.260 0.2 1 699 . 58 LEU CD1 C 26.247 0.2 1 700 . 58 LEU CD2 C 21.872 0.2 1 701 . 58 LEU N N 127.771 0.1 1 702 . 59 SER H H 9.545 0.02 1 703 . 59 SER HA H 4.257 0.02 1 704 . 59 SER HB2 H 4.770 0.02 1 705 . 59 SER HB3 H 4.164 0.02 1 706 . 59 SER C C 172.424 0.2 1 707 . 59 SER CA C 59.318 0.2 1 708 . 59 SER CB C 64.517 0.2 1 709 . 59 SER N N 125.021 0.1 1 710 . 60 ARG H H 8.302 0.02 1 711 . 60 ARG HA H 4.371 0.02 1 712 . 60 ARG HB2 H 1.884 0.02 1 713 . 60 ARG HB3 H 1.884 0.02 1 714 . 60 ARG HG2 H 1.735 0.02 1 715 . 60 ARG HG3 H 1.735 0.02 1 716 . 60 ARG HD2 H 3.300 0.02 1 717 . 60 ARG HD3 H 3.300 0.02 1 718 . 60 ARG C C 177.433 0.2 1 719 . 60 ARG CA C 56.890 0.2 1 720 . 60 ARG CB C 30.268 0.2 1 721 . 60 ARG CG C 27.674 0.2 1 722 . 60 ARG CD C 43.021 0.2 1 723 . 60 ARG N N 119.314 0.1 1 724 . 61 ASP H H 7.951 0.02 1 725 . 61 ASP HA H 4.645 0.02 1 726 . 61 ASP HB2 H 2.306 0.02 1 727 . 61 ASP HB3 H 2.306 0.02 1 728 . 61 ASP C C 173.871 0.2 1 729 . 61 ASP CA C 52.220 0.2 1 730 . 61 ASP CB C 41.315 0.2 1 731 . 61 ASP N N 116.134 0.1 1 732 . 62 ALA H H 8.290 0.02 1 733 . 62 ALA HA H 4.316 0.02 1 734 . 62 ALA HB H 1.218 0.02 1 735 . 62 ALA C C 176.443 0.2 1 736 . 62 ALA CA C 50.208 0.2 1 737 . 62 ALA CB C 19.888 0.2 1 738 . 62 ALA N N 122.905 0.1 1 739 . 63 PHE H H 8.825 0.02 1 740 . 63 PHE HA H 4.758 0.02 1 741 . 63 PHE HB2 H 3.116 0.02 1 742 . 63 PHE HB3 H 2.811 0.02 1 743 . 63 PHE HD1 H 7.309 0.02 1 744 . 63 PHE HD2 H 7.309 0.02 1 745 . 63 PHE HE1 H 7.141 0.02 1 746 . 63 PHE HE2 H 7.141 0.02 1 747 . 63 PHE HZ H 7.190 0.02 1 748 . 63 PHE C C 173.887 0.2 1 749 . 63 PHE CA C 56.602 0.2 1 750 . 63 PHE CB C 43.601 0.2 1 751 . 63 PHE CD1 C 132.315 0.2 1 752 . 63 PHE CD2 C 132.315 0.2 1 753 . 63 PHE CE1 C 131.242 0.2 1 754 . 63 PHE CE2 C 131.242 0.2 1 755 . 63 PHE CZ C 128.585 0.2 1 756 . 63 PHE N N 121.009 0.1 1 757 . 64 LEU H H 9.379 0.02 1 758 . 64 LEU HA H 4.854 0.02 1 759 . 64 LEU HB2 H 2.248 0.02 1 760 . 64 LEU HB3 H 1.816 0.02 1 761 . 64 LEU HG H 1.599 0.02 1 762 . 64 LEU HD1 H 0.917 0.02 1 763 . 64 LEU HD2 H 0.917 0.02 1 764 . 64 LEU C C 176.135 0.2 1 765 . 64 LEU CA C 55.677 0.2 1 766 . 64 LEU CB C 42.169 0.2 1 767 . 64 LEU CG C 27.625 0.2 1 768 . 64 LEU CD1 C 25.407 0.2 1 769 . 64 LEU CD2 C 23.380 0.2 1 770 . 64 LEU N N 123.076 0.1 1 771 . 65 LEU H H 9.082 0.02 1 772 . 65 LEU HA H 5.738 0.02 1 773 . 65 LEU HB2 H 2.106 0.02 1 774 . 65 LEU HB3 H 1.259 0.02 1 775 . 65 LEU HG H 2.074 0.02 1 776 . 65 LEU HD1 H 0.969 0.02 1 777 . 65 LEU HD2 H 0.969 0.02 1 778 . 65 LEU C C 175.075 0.2 1 779 . 65 LEU CA C 51.423 0.2 1 780 . 65 LEU CB C 41.763 0.2 1 781 . 65 LEU CG C 24.769 0.2 1 782 . 65 LEU CD1 C 25.534 0.2 1 783 . 65 LEU CD2 C 25.534 0.2 1 784 . 65 LEU N N 127.886 0.1 1 785 . 66 PRO HA H 4.962 0.02 1 786 . 66 PRO HB2 H 2.456 0.02 1 787 . 66 PRO HB3 H 1.995 0.02 1 788 . 66 PRO HG2 H 1.807 0.02 1 789 . 66 PRO HG3 H 1.807 0.02 1 790 . 66 PRO HD2 H 3.931 0.02 1 791 . 66 PRO HD3 H 3.493 0.02 1 792 . 66 PRO C C 175.062 0.2 1 793 . 66 PRO CA C 62.186 0.2 1 794 . 66 PRO CB C 31.916 0.2 1 795 . 66 PRO CG C 28.117 0.2 1 796 . 66 PRO CD C 50.066 0.2 1 797 . 67 GLN H H 9.462 0.02 1 798 . 67 GLN HA H 5.370 0.02 1 799 . 67 GLN HB2 H 2.133 0.02 1 800 . 67 GLN HB3 H 2.133 0.02 1 801 . 67 GLN HE21 H 7.431 0.02 1 802 . 67 GLN HE22 H 6.696 0.02 1 803 . 67 GLN C C 174.196 0.2 1 804 . 67 GLN CA C 54.322 0.2 1 805 . 67 GLN CB C 33.583 0.2 1 806 . 67 GLN N N 125.388 0.1 1 807 . 67 GLN NE2 N 115.663 0.1 1 808 . 68 CYS H H 8.330 0.02 1 809 . 68 CYS HA H 5.519 0.02 1 810 . 68 CYS HB2 H 2.729 0.02 1 811 . 68 CYS HB3 H 2.729 0.02 1 812 . 68 CYS C C 173.214 0.2 1 813 . 68 CYS CA C 52.922 0.2 1 814 . 68 CYS CB C 40.491 0.2 1 815 . 68 CYS N N 122.909 0.1 1 816 . 69 ASP H H 8.768 0.02 1 817 . 69 ASP HA H 5.659 0.02 1 818 . 69 ASP HB2 H 2.658 0.02 1 819 . 69 ASP HB3 H 2.658 0.02 1 820 . 69 ASP C C 174.373 0.2 1 821 . 69 ASP CA C 53.152 0.2 1 822 . 69 ASP CB C 43.049 0.2 1 823 . 69 ASP N N 123.105 0.1 1 824 . 70 ARG H H 9.548 0.02 1 825 . 70 ARG HA H 3.097 0.02 1 826 . 70 ARG HB2 H 1.847 0.02 1 827 . 70 ARG HB3 H 1.847 0.02 1 828 . 70 ARG HG2 H 1.576 0.02 1 829 . 70 ARG HG3 H 1.576 0.02 1 830 . 70 ARG HD2 H 2.830 0.02 1 831 . 70 ARG HD3 H 2.830 0.02 1 832 . 70 ARG C C 176.441 0.2 1 833 . 70 ARG CA C 57.551 0.2 1 834 . 70 ARG CB C 31.216 0.2 1 835 . 70 ARG CG C 26.216 0.2 1 836 . 70 ARG CD C 43.567 0.2 1 837 . 70 ARG N N 128.389 0.1 1 838 . 71 ILE H H 8.880 0.02 1 839 . 71 ILE HA H 4.618 0.02 1 840 . 71 ILE HB H 1.994 0.02 1 841 . 71 ILE HG12 H 1.612 0.02 1 842 . 71 ILE HG13 H 1.612 0.02 1 843 . 71 ILE HG2 H 0.911 0.02 1 844 . 71 ILE HD1 H 0.785 0.02 1 845 . 71 ILE C C 175.606 0.2 1 846 . 71 ILE CA C 60.784 0.2 1 847 . 71 ILE CB C 40.021 0.2 1 848 . 71 ILE CG1 C 25.953 0.2 1 849 . 71 ILE CG2 C 18.335 0.2 1 850 . 71 ILE CD1 C 13.776 0.2 1 851 . 71 ILE N N 122.512 0.1 1 852 . 72 LYS H H 7.629 0.02 1 853 . 72 LYS HA H 4.530 0.02 1 854 . 72 LYS HB2 H 1.872 0.02 1 855 . 72 LYS HB3 H 1.872 0.02 1 856 . 72 LYS HG2 H 1.697 0.02 1 857 . 72 LYS HG3 H 1.697 0.02 1 858 . 72 LYS HD2 H 1.579 0.02 1 859 . 72 LYS HD3 H 1.579 0.02 1 860 . 72 LYS HE2 H 3.041 0.02 1 861 . 72 LYS HE3 H 3.041 0.02 1 862 . 72 LYS C C 174.004 0.2 1 863 . 72 LYS CA C 55.765 0.2 1 864 . 72 LYS CB C 36.430 0.2 1 865 . 72 LYS CG C 24.664 0.2 1 866 . 72 LYS CD C 29.006 0.2 1 867 . 72 LYS CE C 42.038 0.2 1 868 . 72 LYS N N 123.523 0.1 1 869 . 73 LEU H H 8.482 0.02 1 870 . 73 LEU HA H 4.086 0.02 1 871 . 73 LEU HB2 H 1.701 0.02 1 872 . 73 LEU HB3 H 1.701 0.02 1 873 . 73 LEU HG H 1.487 0.02 1 874 . 73 LEU HD1 H 0.974 0.02 1 875 . 73 LEU HD2 H 0.872 0.02 1 876 . 73 LEU C C 176.721 0.2 1 877 . 73 LEU CA C 53.210 0.2 1 878 . 73 LEU CB C 40.144 0.2 1 879 . 73 LEU CG C 26.645 0.2 1 880 . 73 LEU CD1 C 24.253 0.2 1 881 . 73 LEU CD2 C 21.589 0.2 1 882 . 73 LEU N N 125.672 0.1 1 883 . 74 PRO HA H 4.427 0.02 1 884 . 74 PRO HB2 H 2.546 0.02 2 885 . 74 PRO HB3 H 2.140 0.02 2 886 . 74 PRO HG2 H 2.016 0.02 2 887 . 74 PRO HG3 H 1.949 0.02 2 888 . 74 PRO HD2 H 3.729 0.02 2 889 . 74 PRO HD3 H 3.567 0.02 2 890 . 74 PRO C C 178.142 0.2 1 891 . 74 PRO CA C 63.599 0.2 1 892 . 74 PRO CB C 34.132 0.2 1 893 . 74 PRO CG C 24.651 0.2 1 894 . 74 PRO CD C 50.669 0.2 1 895 . 75 CYS H H 8.245 0.02 1 896 . 75 CYS HA H 4.786 0.02 1 897 . 75 CYS HB2 H 4.142 0.02 1 898 . 75 CYS HB3 H 2.522 0.02 1 899 . 75 CYS C C 172.657 0.2 1 900 . 75 CYS CA C 60.057 0.2 1 901 . 75 CYS CB C 51.786 0.2 1 902 . 75 CYS N N 122.909 0.1 1 903 . 76 HIS H H 8.057 0.02 1 904 . 76 HIS HA H 5.647 0.02 1 905 . 76 HIS HB2 H 3.151 0.02 1 906 . 76 HIS HB3 H 3.151 0.02 1 907 . 76 HIS HD2 H 6.885 0.02 1 908 . 76 HIS HE1 H 8.736 0.02 1 909 . 76 HIS C C 174.264 0.2 1 910 . 76 HIS CA C 53.700 0.2 1 911 . 76 HIS CB C 30.168 0.2 1 912 . 76 HIS CD2 C 118.715 0.2 1 913 . 76 HIS CE1 C 137.164 0.2 1 914 . 76 HIS N N 116.543 0.1 1 915 . 77 TYR H H 9.484 0.02 1 916 . 77 TYR HA H 4.841 0.02 1 917 . 77 TYR HB2 H 2.842 0.02 1 918 . 77 TYR HB3 H 2.651 0.02 1 919 . 77 TYR HD1 H 6.512 0.02 1 920 . 77 TYR HD2 H 7.261 0.02 1 921 . 77 TYR HE1 H 6.648 0.02 1 922 . 77 TYR HE2 H 7.092 0.02 1 923 . 77 TYR C C 175.220 0.2 1 924 . 77 TYR CA C 58.593 0.2 1 925 . 77 TYR CB C 42.918 0.2 1 926 . 77 TYR CD1 C 131.255 0.2 1 927 . 77 TYR CD2 C 133.781 0.2 1 928 . 77 TYR CE1 C 117.312 0.2 1 929 . 77 TYR CE2 C 120.672 0.2 1 930 . 77 TYR N N 126.665 0.1 1 931 . 78 LYS H H 8.927 0.02 1 932 . 78 LYS HA H 4.682 0.02 1 933 . 78 LYS HB2 H 1.821 0.02 1 934 . 78 LYS HB3 H 1.821 0.02 1 935 . 78 LYS HG2 H 1.468 0.02 1 936 . 78 LYS HG3 H 1.468 0.02 1 937 . 78 LYS HD2 H 1.727 0.02 1 938 . 78 LYS HD3 H 1.727 0.02 1 939 . 78 LYS HE2 H 3.023 0.02 1 940 . 78 LYS HE3 H 3.023 0.02 1 941 . 78 LYS C C 174.289 0.2 1 942 . 78 LYS CA C 54.466 0.2 1 943 . 78 LYS CB C 35.907 0.2 1 944 . 78 LYS CG C 24.263 0.2 1 945 . 78 LYS CD C 29.230 0.2 1 946 . 78 LYS CE C 42.048 0.2 1 947 . 78 LYS N N 119.381 0.1 1 948 . 79 LEU H H 8.501 0.02 1 949 . 79 LEU HA H 5.458 0.02 1 950 . 79 LEU HB2 H 1.883 0.02 1 951 . 79 LEU HB3 H 1.883 0.02 1 952 . 79 LEU HG H 1.650 0.02 1 953 . 79 LEU HD1 H 1.146 0.02 1 954 . 79 LEU HD2 H 1.146 0.02 1 955 . 79 LEU C C 176.355 0.2 1 956 . 79 LEU CA C 53.942 0.2 1 957 . 79 LEU CB C 43.215 0.2 1 958 . 79 LEU CG C 26.387 0.2 1 959 . 79 LEU CD1 C 23.308 0.2 1 960 . 79 LEU CD2 C 23.308 0.2 1 961 . 79 LEU N N 128.209 0.1 1 962 . 80 SER H H 9.381 0.02 1 963 . 80 SER HA H 4.918 0.02 1 964 . 80 SER HB2 H 3.942 0.02 1 965 . 80 SER HB3 H 3.942 0.02 1 966 . 80 SER C C 172.491 0.2 1 967 . 80 SER CA C 57.292 0.2 1 968 . 80 SER CB C 65.552 0.2 1 969 . 80 SER N N 124.480 0.1 1 970 . 81 SER H H 8.389 0.02 1 971 . 81 SER HA H 5.299 0.02 1 972 . 81 SER HB2 H 3.864 0.02 1 973 . 81 SER HB3 H 3.656 0.02 1 974 . 81 SER C C 172.547 0.2 1 975 . 81 SER CA C 57.952 0.2 1 976 . 81 SER CB C 65.173 0.2 1 977 . 81 SER N N 113.104 0.1 1 978 . 82 SER H H 7.434 0.02 1 979 . 82 SER HA H 4.786 0.02 1 980 . 82 SER HB2 H 4.028 0.02 1 981 . 82 SER HB3 H 4.028 0.02 1 982 . 82 SER C C 171.599 0.2 1 983 . 82 SER CA C 57.347 0.2 1 984 . 82 SER CB C 65.605 0.2 1 985 . 82 SER N N 115.981 0.1 1 986 . 83 THR H H 8.354 0.02 1 987 . 83 THR HA H 5.710 0.02 1 988 . 83 THR HB H 3.957 0.02 1 989 . 83 THR HG2 H 1.075 0.02 1 990 . 83 THR C C 174.420 0.2 1 991 . 83 THR CA C 60.587 0.2 1 992 . 83 THR CB C 70.067 0.2 1 993 . 83 THR CG2 C 21.310 0.2 1 994 . 83 THR N N 115.843 0.1 1 995 . 84 ASN H H 9.275 0.02 1 996 . 84 ASN HA H 5.028 0.02 1 997 . 84 ASN HB2 H 3.063 0.02 1 998 . 84 ASN HB3 H 2.651 0.02 1 999 . 84 ASN HD21 H 7.687 0.02 1 1000 . 84 ASN HD22 H 7.124 0.02 1 1001 . 84 ASN C C 175.259 0.2 1 1002 . 84 ASN CA C 51.276 0.2 1 1003 . 84 ASN CB C 42.555 0.2 1 1004 . 84 ASN N N 124.361 0.1 1 1005 . 84 ASN ND2 N 110.585 0.1 1 1006 . 85 THR H H 9.126 0.02 1 1007 . 85 THR HA H 4.402 0.02 1 1008 . 85 THR HB H 4.491 0.02 1 1009 . 85 THR HG2 H 1.079 0.02 1 1010 . 85 THR C C 175.084 0.2 1 1011 . 85 THR CA C 61.222 0.2 1 1012 . 85 THR CB C 69.207 0.2 1 1013 . 85 THR CG2 C 22.630 0.2 1 1014 . 85 THR N N 112.892 0.1 1 1015 . 86 ILE H H 8.489 0.02 1 1016 . 86 ILE HA H 5.088 0.02 1 1017 . 86 ILE HB H 1.683 0.02 1 1018 . 86 ILE HG12 H 1.540 0.02 1 1019 . 86 ILE HG13 H 1.240 0.02 1 1020 . 86 ILE HG2 H 1.082 0.02 1 1021 . 86 ILE HD1 H 0.275 0.02 1 1022 . 86 ILE C C 172.623 0.2 1 1023 . 86 ILE CA C 59.305 0.2 1 1024 . 86 ILE CB C 41.707 0.2 1 1025 . 86 ILE CG1 C 22.910 0.2 1 1026 . 86 ILE CG2 C 19.830 0.2 1 1027 . 86 ILE CD1 C 13.460 0.2 1 1028 . 86 ILE N N 110.149 0.1 1 1029 . 87 CYS H H 8.493 0.02 1 1030 . 87 CYS HA H 5.872 0.02 1 1031 . 87 CYS HB2 H 3.128 0.02 1 1032 . 87 CYS HB3 H 2.254 0.02 1 1033 . 87 CYS C C 174.138 0.2 1 1034 . 87 CYS CA C 54.222 0.2 1 1035 . 87 CYS CB C 45.904 0.2 1 1036 . 87 CYS N N 123.067 0.1 1 1037 . 88 ILE H H 9.011 0.02 1 1038 . 88 ILE HA H 5.040 0.02 1 1039 . 88 ILE HB H 1.881 0.02 1 1040 . 88 ILE HG12 H 1.234 0.02 1 1041 . 88 ILE HG13 H 1.234 0.02 1 1042 . 88 ILE HG2 H 0.823 0.02 1 1043 . 88 ILE HD1 H 0.721 0.02 1 1044 . 88 ILE C C 173.669 0.2 1 1045 . 88 ILE CA C 57.661 0.2 1 1046 . 88 ILE CB C 41.143 0.2 1 1047 . 88 ILE CG1 C 25.624 0.2 1 1048 . 88 ILE CG2 C 18.197 0.2 1 1049 . 88 ILE CD1 C 13.551 0.2 1 1050 . 88 ILE N N 126.493 0.1 1 1051 . 89 THR H H 8.190 0.02 1 1052 . 89 THR HA H 5.083 0.02 1 1053 . 89 THR HB H 3.853 0.02 1 1054 . 89 THR HG2 H 1.206 0.02 1 1055 . 89 THR C C 174.410 0.2 1 1056 . 89 THR CA C 61.786 0.2 1 1057 . 89 THR CB C 69.763 0.2 1 1058 . 89 THR CG2 C 22.104 0.2 1 1059 . 89 THR N N 119.068 0.1 1 1060 . 90 CYS H H 8.359 0.02 1 1061 . 90 CYS HA H 5.402 0.02 1 1062 . 90 CYS HB2 H 2.652 0.02 1 1063 . 90 CYS HB3 H 2.652 0.02 1 1064 . 90 CYS C C 174.699 0.2 1 1065 . 90 CYS CA C 53.547 0.2 1 1066 . 90 CYS CB C 40.094 0.2 1 1067 . 90 CYS N N 126.810 0.1 1 1068 . 91 VAL H H 8.905 0.02 1 1069 . 91 VAL HA H 4.038 0.02 1 1070 . 91 VAL HB H 1.844 0.02 1 1071 . 91 VAL HG1 H 0.970 0.02 1 1072 . 91 VAL HG2 H 0.970 0.02 1 1073 . 91 VAL C C 176.679 0.2 1 1074 . 91 VAL CA C 63.618 0.2 1 1075 . 91 VAL CB C 35.666 0.2 1 1076 . 91 VAL CG1 C 23.853 0.2 1 1077 . 91 VAL CG2 C 21.664 0.2 1 1078 . 91 VAL N N 122.034 0.1 1 1079 . 92 ASN H H 9.792 0.02 1 1080 . 92 ASN HA H 4.517 0.02 1 1081 . 92 ASN HB2 H 3.252 0.02 1 1082 . 92 ASN HB3 H 2.746 0.02 1 1083 . 92 ASN HD21 H 7.473 0.02 1 1084 . 92 ASN HD22 H 6.797 0.02 1 1085 . 92 ASN C C 173.942 0.2 1 1086 . 92 ASN CA C 53.760 0.2 1 1087 . 92 ASN CB C 36.908 0.2 1 1088 . 92 ASN N N 129.750 0.1 1 1089 . 92 ASN ND2 N 111.391 0.1 1 1090 . 93 GLN H H 9.391 0.02 1 1091 . 93 GLN HA H 3.596 0.02 1 1092 . 93 GLN HB2 H 2.205 0.02 1 1093 . 93 GLN HB3 H 2.205 0.02 1 1094 . 93 GLN HG2 H 2.412 0.02 1 1095 . 93 GLN HG3 H 2.412 0.02 1 1096 . 93 GLN HE21 H 7.650 0.02 1 1097 . 93 GLN HE22 H 6.766 0.02 1 1098 . 93 GLN C C 173.932 0.2 1 1099 . 93 GLN CA C 57.452 0.2 1 1100 . 93 GLN CB C 27.051 0.2 1 1101 . 93 GLN CG C 35.509 0.2 1 1102 . 93 GLN N N 107.290 0.1 1 1103 . 93 GLN NE2 N 113.043 0.1 1 1104 . 94 LEU H H 7.371 0.02 1 1105 . 94 LEU HA H 4.586 0.02 1 1106 . 94 LEU HB2 H 1.676 0.02 1 1107 . 94 LEU HB3 H 0.836 0.02 1 1108 . 94 LEU HG H 1.497 0.02 1 1109 . 94 LEU HD1 H 0.902 0.02 1 1110 . 94 LEU HD2 H 0.213 0.02 1 1111 . 94 LEU C C 173.635 0.2 1 1112 . 94 LEU CA C 50.565 0.2 1 1113 . 94 LEU CB C 44.652 0.2 1 1114 . 94 LEU CG C 24.867 0.2 1 1115 . 94 LEU CD1 C 24.792 0.2 1 1116 . 94 LEU CD2 C 22.654 0.2 1 1117 . 94 LEU N N 117.377 0.1 1 1118 . 95 PRO HA H 4.326 0.02 1 1119 . 95 PRO HB2 H 2.274 0.02 2 1120 . 95 PRO HB3 H 2.035 0.02 2 1121 . 95 PRO HG2 H 1.964 0.02 1 1122 . 95 PRO HG3 H 1.964 0.02 1 1123 . 95 PRO HD2 H 3.577 0.02 1 1124 . 95 PRO HD3 H 3.577 0.02 1 1125 . 95 PRO C C 176.790 0.2 1 1126 . 95 PRO CA C 63.527 0.2 1 1127 . 95 PRO CB C 30.766 0.2 1 1128 . 95 PRO CG C 27.679 0.2 1 1129 . 95 PRO CD C 49.803 0.2 1 1130 . 96 ILE H H 8.390 0.02 1 1131 . 96 ILE HA H 4.662 0.02 1 1132 . 96 ILE HB H 1.487 0.02 1 1133 . 96 ILE HG12 H 1.176 0.02 1 1134 . 96 ILE HG13 H 1.176 0.02 1 1135 . 96 ILE HG2 H 0.956 0.02 1 1136 . 96 ILE HD1 H 0.838 0.02 1 1137 . 96 ILE C C 176.224 0.2 1 1138 . 96 ILE CA C 60.232 0.2 1 1139 . 96 ILE CB C 41.464 0.2 1 1140 . 96 ILE CG1 C 26.191 0.2 1 1141 . 96 ILE CG2 C 19.197 0.2 1 1142 . 96 ILE CD1 C 15.966 0.2 1 1143 . 96 ILE N N 109.865 0.1 1 1144 . 97 HIS H H 7.307 0.02 1 1145 . 97 HIS HA H 5.703 0.02 1 1146 . 97 HIS HB2 H 3.179 0.02 1 1147 . 97 HIS HB3 H 3.179 0.02 1 1148 . 97 HIS HD2 H 7.120 0.02 1 1149 . 97 HIS HE1 H 8.743 0.02 1 1150 . 97 HIS C C 173.238 0.2 1 1151 . 97 HIS CA C 54.836 0.2 1 1152 . 97 HIS CB C 32.599 0.2 1 1153 . 97 HIS CD2 C 119.416 0.2 1 1154 . 97 HIS CE1 C 138.231 0.2 1 1155 . 97 HIS N N 116.532 0.1 1 1156 . 98 PHE HA H 4.782 0.02 1 1157 . 98 PHE HB2 H 2.965 0.02 1 1158 . 98 PHE HB3 H 2.013 0.02 1 1159 . 98 PHE HD1 H 6.776 0.02 1 1160 . 98 PHE HD2 H 6.776 0.02 1 1161 . 98 PHE HE1 H 7.149 0.02 1 1162 . 98 PHE HE2 H 7.149 0.02 1 1163 . 98 PHE HZ H 7.084 0.02 1 1164 . 98 PHE C C 173.384 0.2 1 1165 . 98 PHE CA C 56.528 0.2 1 1166 . 98 PHE CB C 37.624 0.2 1 1167 . 98 PHE CD1 C 129.638 0.2 1 1168 . 98 PHE CD2 C 129.638 0.2 1 1169 . 98 PHE CE1 C 130.888 0.2 1 1170 . 98 PHE CE2 C 130.888 0.2 1 1171 . 98 PHE CZ C 129.422 0.2 1 1172 . 99 ALA H H 8.565 0.02 1 1173 . 99 ALA HA H 4.398 0.02 1 1174 . 99 ALA HB H 1.093 0.02 1 1175 . 99 ALA C C 176.555 0.2 1 1176 . 99 ALA CA C 52.266 0.2 1 1177 . 99 ALA CB C 20.243 0.2 1 1178 . 99 ALA N N 130.868 0.1 1 1179 . 100 GLY H H 6.885 0.02 1 1180 . 100 GLY HA2 H 4.340 0.02 1 1181 . 100 GLY HA3 H 3.923 0.02 1 1182 . 100 GLY C C 170.140 0.2 1 1183 . 100 GLY CA C 45.285 0.2 1 1184 . 100 GLY N N 104.353 0.1 1 1185 . 101 VAL H H 8.219 0.02 1 1186 . 101 VAL HA H 4.700 0.02 1 1187 . 101 VAL HB H 2.076 0.02 1 1188 . 101 VAL HG1 H 1.074 0.02 1 1189 . 101 VAL HG2 H 1.074 0.02 1 1190 . 101 VAL C C 177.556 0.2 1 1191 . 101 VAL CA C 60.830 0.2 1 1192 . 101 VAL CB C 33.713 0.2 1 1193 . 101 VAL CG1 C 22.079 0.2 1 1194 . 101 VAL CG2 C 20.527 0.2 1 1195 . 101 VAL N N 117.083 0.1 1 1196 . 102 GLY H H 8.413 0.02 1 1197 . 102 GLY HA2 H 4.150 0.02 1 1198 . 102 GLY HA3 H 3.833 0.02 1 1199 . 102 GLY C C 173.154 0.2 1 1200 . 102 GLY CA C 45.823 0.2 1 1201 . 102 GLY N N 116.167 0.1 1 1202 . 103 SER H H 7.339 0.02 1 1203 . 103 SER HA H 4.397 0.02 1 1204 . 103 SER HB2 H 3.961 0.02 1 1205 . 103 SER HB3 H 3.851 0.02 1 1206 . 103 SER C C 172.930 0.2 1 1207 . 103 SER CA C 57.650 0.2 1 1208 . 103 SER CB C 64.174 0.2 1 1209 . 103 SER N N 111.389 0.1 1 1210 . 104 CYS H H 8.688 0.02 1 1211 . 104 CYS HA H 5.165 0.02 1 1212 . 104 CYS HB2 H 3.128 0.02 1 1213 . 104 CYS HB3 H 2.743 0.02 1 1214 . 104 CYS C C 172.716 0.2 1 1215 . 104 CYS CA C 50.601 0.2 1 1216 . 104 CYS CB C 39.770 0.2 1 1217 . 104 CYS N N 117.939 0.1 1 1218 . 105 PRO HA H 4.320 0.02 1 1219 . 105 PRO HB2 H 1.182 0.02 1 1220 . 105 PRO HB3 H 1.095 0.02 1 1221 . 105 PRO HG2 H 1.454 0.02 1 1222 . 105 PRO HG3 H 1.379 0.02 1 1223 . 105 PRO HD2 H 3.087 0.02 1 1224 . 105 PRO HD3 H 2.577 0.02 1 1225 . 105 PRO CA C 61.992 0.2 1 1226 . 105 PRO CB C 30.545 0.2 1 1227 . 105 PRO CG C 27.429 0.2 1 1228 . 105 PRO CD C 49.083 0.2 1 stop_ save_