data_4150 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4150 _Entry.Title ; The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-19 _Entry.Accession_date 1998-06-19 _Entry.Last_release_date 2000-04-04 _Entry.Original_release_date 2000-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Kernebek . . . 4150 2 S. Pflanz . . . 4150 3 G. Muller-Newen . . . 4150 4 G. Kurapkat . . . 4150 5 R.M. Scheek . . . 4150 6 K. Dijkstra . . . 4150 7 P.C. Heinrich . . . 4150 8 A. Wollmer . . . 4150 9 S. Grzesiek . . . 4150 10 Joachim Grotzinger . . . 4150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 4150 '15N chemical shifts' 107 4150 '1H chemical shifts' 773 4150 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-04-04 1998-06-19 original author . 4150 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4150 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99224884 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; and Grotzinger, J., "The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region," Protein Sci. 8, 5-12 (1999). ; _Citation.Title ; The Signal Transducer gp130: Solution Structure of the Carboxy-terminal Domain of the Cytokine Receptor Homology Region ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5 _Citation.Page_last 12 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Kernebek . . . 4150 1 2 S. Pflanz . . . 4150 1 3 G. Muller-Newen . . . 4150 1 4 G. Kurapkat . . . 4150 1 5 R.M. Scheek . . . 4150 1 6 K. Dijkstra . . . 4150 1 7 P.C. Heinrich . . . 4150 1 8 A. Wollmer . . . 4150 1 9 S. Grzesiek . . . 4150 1 10 Joachim Grotzinger . . . 4150 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gp130 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gp130 _Assembly.Entry_ID 4150 _Assembly.ID 1 _Assembly.Name 'third extracellular N-terminal domain of gp130' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4150 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'gp130 domain 3' 1 $gp130 . . . native . . . . . 4150 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BJ8 . . . . . . 4150 1 yes PDB 1BQU . . . . . . 4150 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID gp130 abbreviation 4150 1 'third extracellular N-terminal domain of gp130' system 4150 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cytokine receptor homology domain' 4150 1 receptor 4150 1 signaltransducer 4150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gp130 _Entity.Sf_category entity _Entity.Sf_framecode gp130 _Entity.Entry_ID 4150 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gp130 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDKVKPNPPHNLSVINSEEL SSILKLTWTNPSIKSVIILK YNIQYRTKDASTWSQIPPED TASTRSSFTVQDLKPFTEYV FRIRCMKEDGKGYWSDWSEE ASGITYEDR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12386 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BJ8 . "Third N-Terminal Domain Of Gp130, Nmr, Minimized Average Structure" . . . . . 100.00 109 100.00 100.00 5.01e-73 . . . . 4150 1 2 no PDB 1BQU . "Cytokyne-Binding Region Of Gp130" . . . . . 98.17 215 100.00 100.00 1.69e-69 . . . . 4150 1 3 no PDB 1I1R . "Crystal Structure Of A CytokineRECEPTOR COMPLEX" . . . . . 98.17 303 100.00 100.00 2.81e-69 . . . . 4150 1 4 no PDB 1P9M . "Crystal Structure Of The Hexameric Human Il-6/il-6 Alpha Receptor/gp130 Complex" . . . . . 94.50 299 100.00 100.00 1.07e-65 . . . . 4150 1 5 no PDB 1PVH . "Crystal Structure Of Leukemia Inhibitory Factor In Complex With Gp130" . . . . . 96.33 201 100.00 100.00 2.81e-68 . . . . 4150 1 6 no PDB 3L5H . "Crystal Structure Of The Full Ectodomain Of Human Gp130: New Insights Into The Molecular Assembly Of Receptor Complexes" . . . . . 98.17 589 100.00 100.00 3.14e-66 . . . . 4150 1 7 no DBJ BAA78112 . "gp130 of the rheumatoid arthritis antigenic peptide-bearing soluble form (gp130-RAPS) [Homo sapiens]" . . . . . 97.25 329 100.00 100.00 3.24e-68 . . . . 4150 1 8 no DBJ BAD89392 . "IL6ST nirs variant 3 [Homo sapiens]" . . . . . 99.08 203 97.22 100.00 8.89e-71 . . . . 4150 1 9 no DBJ BAD89393 . "IL6ST nirs variant 4 [Homo sapiens]" . . . . . 98.17 857 100.00 100.00 1.24e-65 . . . . 4150 1 10 no DBJ BAG10979 . "interleukin-6 receptor subunit beta precursor [synthetic construct]" . . . . . 98.17 918 100.00 100.00 3.02e-65 . . . . 4150 1 11 no GB AAA59155 . "membrane glycoprotein 130 [Homo sapiens]" . . . . . 98.17 918 100.00 100.00 3.02e-65 . . . . 4150 1 12 no GB AAI17403 . "Interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" . . . . . 98.17 918 100.00 100.00 2.79e-65 . . . . 4150 1 13 no GB AAI17405 . "Interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" . . . . . 98.17 918 100.00 100.00 2.79e-65 . . . . 4150 1 14 no GB ABI18993 . "gp130 [Callithrix jacchus]" . . . . . 98.17 915 98.13 98.13 4.84e-64 . . . . 4150 1 15 no GB ABK41905 . "interleukin 6 signal transducer (gp130, oncostatin M receptor) [Homo sapiens]" . . . . . 98.17 918 100.00 100.00 3.02e-65 . . . . 4150 1 16 no REF NP_001177910 . "interleukin-6 receptor subunit beta isoform 3 precursor [Homo sapiens]" . . . . . 98.17 857 100.00 100.00 1.24e-65 . . . . 4150 1 17 no REF NP_001252920 . "interleukin-6 receptor subunit beta precursor [Macaca mulatta]" . . . . . 98.17 918 97.20 98.13 1.29e-62 . . . . 4150 1 18 no REF NP_001254695 . "interleukin-6 receptor subunit beta precursor [Callithrix jacchus]" . . . . . 98.17 915 98.13 98.13 4.84e-64 . . . . 4150 1 19 no REF NP_002175 . "interleukin-6 receptor subunit beta isoform 1 precursor [Homo sapiens]" . . . . . 98.17 918 100.00 100.00 3.02e-65 . . . . 4150 1 20 no REF NP_786943 . "interleukin-6 receptor subunit beta isoform 2 precursor [Homo sapiens]" . . . . . 97.25 329 100.00 100.00 3.24e-68 . . . . 4150 1 21 no SP P40189 . "RecName: Full=Interleukin-6 receptor subunit beta; Short=IL-6 receptor subunit beta; Short=IL-6R subunit beta; Short=IL-6R-beta" . . . . . 98.17 918 100.00 100.00 3.02e-65 . . . . 4150 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID gp130 abbreviation 4150 1 gp130 common 4150 1 'gp130 third domain' variant 4150 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4150 1 2 . ASP . 4150 1 3 . LYS . 4150 1 4 . VAL . 4150 1 5 . LYS . 4150 1 6 . PRO . 4150 1 7 . ASN . 4150 1 8 . PRO . 4150 1 9 . PRO . 4150 1 10 . HIS . 4150 1 11 . ASN . 4150 1 12 . LEU . 4150 1 13 . SER . 4150 1 14 . VAL . 4150 1 15 . ILE . 4150 1 16 . ASN . 4150 1 17 . SER . 4150 1 18 . GLU . 4150 1 19 . GLU . 4150 1 20 . LEU . 4150 1 21 . SER . 4150 1 22 . SER . 4150 1 23 . ILE . 4150 1 24 . LEU . 4150 1 25 . LYS . 4150 1 26 . LEU . 4150 1 27 . THR . 4150 1 28 . TRP . 4150 1 29 . THR . 4150 1 30 . ASN . 4150 1 31 . PRO . 4150 1 32 . SER . 4150 1 33 . ILE . 4150 1 34 . LYS . 4150 1 35 . SER . 4150 1 36 . VAL . 4150 1 37 . ILE . 4150 1 38 . ILE . 4150 1 39 . LEU . 4150 1 40 . LYS . 4150 1 41 . TYR . 4150 1 42 . ASN . 4150 1 43 . ILE . 4150 1 44 . GLN . 4150 1 45 . TYR . 4150 1 46 . ARG . 4150 1 47 . THR . 4150 1 48 . LYS . 4150 1 49 . ASP . 4150 1 50 . ALA . 4150 1 51 . SER . 4150 1 52 . THR . 4150 1 53 . TRP . 4150 1 54 . SER . 4150 1 55 . GLN . 4150 1 56 . ILE . 4150 1 57 . PRO . 4150 1 58 . PRO . 4150 1 59 . GLU . 4150 1 60 . ASP . 4150 1 61 . THR . 4150 1 62 . ALA . 4150 1 63 . SER . 4150 1 64 . THR . 4150 1 65 . ARG . 4150 1 66 . SER . 4150 1 67 . SER . 4150 1 68 . PHE . 4150 1 69 . THR . 4150 1 70 . VAL . 4150 1 71 . GLN . 4150 1 72 . ASP . 4150 1 73 . LEU . 4150 1 74 . LYS . 4150 1 75 . PRO . 4150 1 76 . PHE . 4150 1 77 . THR . 4150 1 78 . GLU . 4150 1 79 . TYR . 4150 1 80 . VAL . 4150 1 81 . PHE . 4150 1 82 . ARG . 4150 1 83 . ILE . 4150 1 84 . ARG . 4150 1 85 . CYS . 4150 1 86 . MET . 4150 1 87 . LYS . 4150 1 88 . GLU . 4150 1 89 . ASP . 4150 1 90 . GLY . 4150 1 91 . LYS . 4150 1 92 . GLY . 4150 1 93 . TYR . 4150 1 94 . TRP . 4150 1 95 . SER . 4150 1 96 . ASP . 4150 1 97 . TRP . 4150 1 98 . SER . 4150 1 99 . GLU . 4150 1 100 . GLU . 4150 1 101 . ALA . 4150 1 102 . SER . 4150 1 103 . GLY . 4150 1 104 . ILE . 4150 1 105 . THR . 4150 1 106 . TYR . 4150 1 107 . GLU . 4150 1 108 . ASP . 4150 1 109 . ARG . 4150 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4150 1 . ASP 2 2 4150 1 . LYS 3 3 4150 1 . VAL 4 4 4150 1 . LYS 5 5 4150 1 . PRO 6 6 4150 1 . ASN 7 7 4150 1 . PRO 8 8 4150 1 . PRO 9 9 4150 1 . HIS 10 10 4150 1 . ASN 11 11 4150 1 . LEU 12 12 4150 1 . SER 13 13 4150 1 . VAL 14 14 4150 1 . ILE 15 15 4150 1 . ASN 16 16 4150 1 . SER 17 17 4150 1 . GLU 18 18 4150 1 . GLU 19 19 4150 1 . LEU 20 20 4150 1 . SER 21 21 4150 1 . SER 22 22 4150 1 . ILE 23 23 4150 1 . LEU 24 24 4150 1 . LYS 25 25 4150 1 . LEU 26 26 4150 1 . THR 27 27 4150 1 . TRP 28 28 4150 1 . THR 29 29 4150 1 . ASN 30 30 4150 1 . PRO 31 31 4150 1 . SER 32 32 4150 1 . ILE 33 33 4150 1 . LYS 34 34 4150 1 . SER 35 35 4150 1 . VAL 36 36 4150 1 . ILE 37 37 4150 1 . ILE 38 38 4150 1 . LEU 39 39 4150 1 . LYS 40 40 4150 1 . TYR 41 41 4150 1 . ASN 42 42 4150 1 . ILE 43 43 4150 1 . GLN 44 44 4150 1 . TYR 45 45 4150 1 . ARG 46 46 4150 1 . THR 47 47 4150 1 . LYS 48 48 4150 1 . ASP 49 49 4150 1 . ALA 50 50 4150 1 . SER 51 51 4150 1 . THR 52 52 4150 1 . TRP 53 53 4150 1 . SER 54 54 4150 1 . GLN 55 55 4150 1 . ILE 56 56 4150 1 . PRO 57 57 4150 1 . PRO 58 58 4150 1 . GLU 59 59 4150 1 . ASP 60 60 4150 1 . THR 61 61 4150 1 . ALA 62 62 4150 1 . SER 63 63 4150 1 . THR 64 64 4150 1 . ARG 65 65 4150 1 . SER 66 66 4150 1 . SER 67 67 4150 1 . PHE 68 68 4150 1 . THR 69 69 4150 1 . VAL 70 70 4150 1 . GLN 71 71 4150 1 . ASP 72 72 4150 1 . LEU 73 73 4150 1 . LYS 74 74 4150 1 . PRO 75 75 4150 1 . PHE 76 76 4150 1 . THR 77 77 4150 1 . GLU 78 78 4150 1 . TYR 79 79 4150 1 . VAL 80 80 4150 1 . PHE 81 81 4150 1 . ARG 82 82 4150 1 . ILE 83 83 4150 1 . ARG 84 84 4150 1 . CYS 85 85 4150 1 . MET 86 86 4150 1 . LYS 87 87 4150 1 . GLU 88 88 4150 1 . ASP 89 89 4150 1 . GLY 90 90 4150 1 . LYS 91 91 4150 1 . GLY 92 92 4150 1 . TYR 93 93 4150 1 . TRP 94 94 4150 1 . SER 95 95 4150 1 . ASP 96 96 4150 1 . TRP 97 97 4150 1 . SER 98 98 4150 1 . GLU 99 99 4150 1 . GLU 100 100 4150 1 . ALA 101 101 4150 1 . SER 102 102 4150 1 . GLY 103 103 4150 1 . ILE 104 104 4150 1 . THR 105 105 4150 1 . TYR 106 106 4150 1 . GLU 107 107 4150 1 . ASP 108 108 4150 1 . ARG 109 109 4150 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4150 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $gp130 . 9606 . . 'Homo sapien' Human . . Eukaryota Metazoa Homo sapien . . . . . . . . . . . . . . . . . . . . . 4150 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4150 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $gp130 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4150 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gp130 '[U-15N; U-13C]' . . 1 $gp130 . . 2.0 . . mM . . . . 4150 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4150 1 3 NaCl . . . . . . . 200 . . mM . . . . 4150 1 4 DTT . . . . . . . 0.1 . . mM . . . . 4150 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4150 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.4 0.2 n/a 4150 1 temperature 298 0 K 4150 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4150 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4150 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4150 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 4150 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4150 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian UNITY . 500 . . . 4150 1 2 NMR_spectrometer2 Varian INOVA . 600 . . . 4150 1 3 NMR_spectrometer3 Bruker DMX . 600 . . . 4150 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4150 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 2 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 3 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 5 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 6 '15N-edited HOHAHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 7 '13C-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 8 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 9 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4150 1 11 unknown no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4150 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4150 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4150 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4150 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4150 1 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 11 unknown 1 $sample_1 . 4150 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 MET HA H 1 3.733 . . . . . . . . . . . 4150 1 2 . 1 1 1 1 MET CB C 13 74.762 . . . . . . . . . . . 4150 1 3 . 1 1 1 1 MET HB2 H 1 1.948 . . . . . . . . . . . 4150 1 4 . 1 1 1 1 MET HB3 H 1 1.991 . . . . . . . . . . . 4150 1 5 . 1 1 1 1 MET CG C 13 71.448 . . . . . . . . . . . 4150 1 6 . 1 1 1 1 MET HG2 H 1 2.542 . . . . . . . . . . . 4150 1 7 . 1 1 1 1 MET HG3 H 1 2.542 . . . . . . . . . . . 4150 1 8 . 1 1 2 2 ASP CA C 13 54.408 . . . . . . . . . . . 4150 1 9 . 1 1 2 2 ASP HA H 1 4.573 . . . . . . . . . . . 4150 1 10 . 1 1 2 2 ASP CB C 13 81.369 . . . . . . . . . . . 4150 1 11 . 1 1 2 2 ASP HB2 H 1 2.562 . . . . . . . . . . . 4150 1 12 . 1 1 2 2 ASP HB3 H 1 2.649 . . . . . . . . . . . 4150 1 13 . 1 1 3 3 LYS N N 15 121.212 . . . . . . . . . . . 4150 1 14 . 1 1 3 3 LYS H H 1 8.321 . . . . . . . . . . . 4150 1 15 . 1 1 3 3 LYS CA C 13 56.031 . . . . . . . . . . . 4150 1 16 . 1 1 3 3 LYS HA H 1 4.221 . . . . . . . . . . . 4150 1 17 . 1 1 3 3 LYS CB C 13 72.767 . . . . . . . . . . . 4150 1 18 . 1 1 3 3 LYS HB3 H 1 1.634 . . . . . . . . . . . 4150 1 19 . 1 1 3 3 LYS HB2 H 1 1.634 . . . . . . . . . . . 4150 1 20 . 1 1 3 3 LYS CG C 13 64.856 . . . . . . . . . . . 4150 1 21 . 1 1 3 3 LYS HG2 H 1 1.269 . . . . . . . . . . . 4150 1 22 . 1 1 3 3 LYS HG3 H 1 1.363 . . . . . . . . . . . 4150 1 23 . 1 1 3 3 LYS CD C 13 68.965 . . . . . . . . . . . 4150 1 24 . 1 1 3 3 LYS HD2 H 1 1.581 . . . . . . . . . . . 4150 1 25 . 1 1 3 3 LYS HD3 H 1 1.581 . . . . . . . . . . . 4150 1 26 . 1 1 3 3 LYS CE C 13 81.772 . . . . . . . . . . . 4150 1 27 . 1 1 3 3 LYS HE2 H 1 2.908 . . . . . . . . . . . 4150 1 28 . 1 1 3 3 LYS HE3 H 1 2.908 . . . . . . . . . . . 4150 1 29 . 1 1 4 4 VAL N N 15 119.953 . . . . . . . . . . . 4150 1 30 . 1 1 4 4 VAL H H 1 7.957 . . . . . . . . . . . 4150 1 31 . 1 1 4 4 VAL CA C 13 62.357 . . . . . . . . . . . 4150 1 32 . 1 1 4 4 VAL HA H 1 4.028 . . . . . . . . . . . 4150 1 33 . 1 1 4 4 VAL CB C 13 72.860 . . . . . . . . . . . 4150 1 34 . 1 1 4 4 VAL HB H 1 1.948 . . . . . . . . . . . 4150 1 35 . 1 1 4 4 VAL CG2 C 13 60.957 . . . . . . . . . . . 4150 1 36 . 1 1 4 4 VAL CG1 C 13 60.957 . . . . . . . . . . . 4150 1 37 . 1 1 4 4 VAL HG11 H 1 0.816 . . . . . . . . . . . 4150 1 38 . 1 1 4 4 VAL HG12 H 1 0.816 . . . . . . . . . . . 4150 1 39 . 1 1 4 4 VAL HG13 H 1 0.816 . . . . . . . . . . . 4150 1 40 . 1 1 4 4 VAL HG21 H 1 0.816 . . . . . . . . . . . 4150 1 41 . 1 1 4 4 VAL HG22 H 1 0.816 . . . . . . . . . . . 4150 1 42 . 1 1 4 4 VAL HG23 H 1 0.816 . . . . . . . . . . . 4150 1 43 . 1 1 5 5 LYS N N 15 125.275 . . . . . . . . . . . 4150 1 44 . 1 1 5 5 LYS H H 1 8.190 . . . . . . . . . . . 4150 1 45 . 1 1 5 5 LYS CA C 13 53.590 . . . . . . . . . . . 4150 1 46 . 1 1 5 5 LYS HA H 1 4.581 . . . . . . . . . . . 4150 1 47 . 1 1 5 5 LYS CB C 13 73.254 . . . . . . . . . . . 4150 1 48 . 1 1 5 5 LYS HB2 H 1 1.580 . . . . . . . . . . . 4150 1 49 . 1 1 5 5 LYS HB3 H 1 1.687 . . . . . . . . . . . 4150 1 50 . 1 1 5 5 LYS CG C 13 64.316 . . . . . . . . . . . 4150 1 51 . 1 1 5 5 LYS HG3 H 1 1.283 . . . . . . . . . . . 4150 1 52 . 1 1 5 5 LYS HG2 H 1 1.283 . . . . . . . . . . . 4150 1 53 . 1 1 5 5 LYS CD C 13 69.324 . . . . . . . . . . . 4150 1 54 . 1 1 5 5 LYS HD2 H 1 1.611 . . . . . . . . . . . 4150 1 55 . 1 1 5 5 LYS HD3 H 1 1.611 . . . . . . . . . . . 4150 1 56 . 1 1 5 5 LYS CE C 13 81.579 . . . . . . . . . . . 4150 1 57 . 1 1 5 5 LYS HE2 H 1 2.995 . . . . . . . . . . . 4150 1 58 . 1 1 5 5 LYS HE3 H 1 2.995 . . . . . . . . . . . 4150 1 59 . 1 1 6 6 PRO CA C 13 62.082 . . . . . . . . . . . 4150 1 60 . 1 1 6 6 PRO HA H 1 4.503 . . . . . . . . . . . 4150 1 61 . 1 1 6 6 PRO CB C 13 71.365 . . . . . . . . . . . 4150 1 62 . 1 1 6 6 PRO HB3 H 1 2.002 . . . . . . . . . . . 4150 1 63 . 1 1 6 6 PRO HB2 H 1 2.002 . . . . . . . . . . . 4150 1 64 . 1 1 6 6 PRO CG C 13 67.312 . . . . . . . . . . . 4150 1 65 . 1 1 6 6 PRO HG2 H 1 1.829 . . . . . . . . . . . 4150 1 66 . 1 1 6 6 PRO HG3 H 1 1.888 . . . . . . . . . . . 4150 1 67 . 1 1 6 6 PRO CD C 13 50.856 . . . . . . . . . . . 4150 1 68 . 1 1 6 6 PRO HD2 H 1 3.512 . . . . . . . . . . . 4150 1 69 . 1 1 6 6 PRO HD3 H 1 3.892 . . . . . . . . . . . 4150 1 70 . 1 1 7 7 ASN N N 15 119.187 . . . . . . . . . . . 4150 1 71 . 1 1 7 7 ASN H H 1 8.226 . . . . . . . . . . . 4150 1 72 . 1 1 7 7 ASN CA C 13 51.764 . . . . . . . . . . . 4150 1 73 . 1 1 7 7 ASN HA H 1 4.816 . . . . . . . . . . . 4150 1 74 . 1 1 7 7 ASN CB C 13 77.263 . . . . . . . . . . . 4150 1 75 . 1 1 7 7 ASN HB2 H 1 2.545 . . . . . . . . . . . 4150 1 76 . 1 1 7 7 ASN HB3 H 1 3.015 . . . . . . . . . . . 4150 1 77 . 1 1 7 7 ASN ND2 N 15 112.985 . . . . . . . . . . . 4150 1 78 . 1 1 7 7 ASN HD21 H 1 7.731 . . . . . . . . . . . 4150 1 79 . 1 1 7 7 ASN HD22 H 1 7.079 . . . . . . . . . . . 4150 1 80 . 1 1 8 8 PRO CA C 13 61.354 . . . . . . . . . . . 4150 1 81 . 1 1 8 8 PRO HA H 1 4.974 . . . . . . . . . . . 4150 1 82 . 1 1 8 8 PRO CB C 13 69.478 . . . . . . . . . . . 4150 1 83 . 1 1 8 8 PRO HB2 H 1 1.856 . . . . . . . . . . . 4150 1 84 . 1 1 8 8 PRO HB3 H 1 2.528 . . . . . . . . . . . 4150 1 85 . 1 1 8 8 PRO CG C 13 67.423 . . . . . . . . . . . 4150 1 86 . 1 1 8 8 PRO HG3 H 1 1.943 . . . . . . . . . . . 4150 1 87 . 1 1 8 8 PRO HG2 H 1 1.943 . . . . . . . . . . . 4150 1 88 . 1 1 8 8 PRO CD C 13 89.499 . . . . . . . . . . . 4150 1 89 . 1 1 8 8 PRO HD2 H 1 3.626 . . . . . . . . . . . 4150 1 90 . 1 1 8 8 PRO HD3 H 1 4.002 . . . . . . . . . . . 4150 1 91 . 1 1 9 9 PRO CA C 13 62.647 . . . . . . . . . . . 4150 1 92 . 1 1 9 9 PRO HA H 1 4.777 . . . . . . . . . . . 4150 1 93 . 1 1 9 9 PRO CB C 13 72.276 . . . . . . . . . . . 4150 1 94 . 1 1 9 9 PRO HB2 H 1 1.348 . . . . . . . . . . . 4150 1 95 . 1 1 9 9 PRO HB3 H 1 2.406 . . . . . . . . . . . 4150 1 96 . 1 1 9 9 PRO CG C 13 67.606 . . . . . . . . . . . 4150 1 97 . 1 1 9 9 PRO HG2 H 1 1.498 . . . . . . . . . . . 4150 1 98 . 1 1 9 9 PRO HG3 H 1 1.744 . . . . . . . . . . . 4150 1 99 . 1 1 9 9 PRO CD C 13 89.795 . . . . . . . . . . . 4150 1 100 . 1 1 9 9 PRO HD2 H 1 3.345 . . . . . . . . . . . 4150 1 101 . 1 1 9 9 PRO HD3 H 1 4.141 . . . . . . . . . . . 4150 1 102 . 1 1 10 10 HIS N N 15 117.428 . . . . . . . . . . . 4150 1 103 . 1 1 10 10 HIS H H 1 8.635 . . . . . . . . . . . 4150 1 104 . 1 1 10 10 HIS CA C 13 54.456 . . . . . . . . . . . 4150 1 105 . 1 1 10 10 HIS HA H 1 5.158 . . . . . . . . . . . 4150 1 106 . 1 1 10 10 HIS CB C 13 72.650 . . . . . . . . . . . 4150 1 107 . 1 1 10 10 HIS HB2 H 1 3.073 . . . . . . . . . . . 4150 1 108 . 1 1 10 10 HIS HB3 H 1 3.314 . . . . . . . . . . . 4150 1 109 . 1 1 10 10 HIS CD2 C 13 81.238 . . . . . . . . . . . 4150 1 110 . 1 1 10 10 HIS HD2 H 1 6.928 . . . . . . . . . . . 4150 1 111 . 1 1 10 10 HIS CE1 C 13 58.410 . . . . . . . . . . . 4150 1 112 . 1 1 10 10 HIS HE1 H 1 7.706 . . . . . . . . . . . 4150 1 113 . 1 1 11 11 ASN N N 15 116.651 . . . . . . . . . . . 4150 1 114 . 1 1 11 11 ASN H H 1 9.042 . . . . . . . . . . . 4150 1 115 . 1 1 11 11 ASN CA C 13 53.857 . . . . . . . . . . . 4150 1 116 . 1 1 11 11 ASN HA H 1 4.417 . . . . . . . . . . . 4150 1 117 . 1 1 11 11 ASN CB C 13 76.992 . . . . . . . . . . . 4150 1 118 . 1 1 11 11 ASN HB2 H 1 2.699 . . . . . . . . . . . 4150 1 119 . 1 1 11 11 ASN HB3 H 1 3.095 . . . . . . . . . . . 4150 1 120 . 1 1 11 11 ASN ND2 N 15 111.856 . . . . . . . . . . . 4150 1 121 . 1 1 11 11 ASN HD21 H 1 7.512 . . . . . . . . . . . 4150 1 122 . 1 1 11 11 ASN HD22 H 1 6.858 . . . . . . . . . . . 4150 1 123 . 1 1 12 12 LEU N N 15 120.240 . . . . . . . . . . . 4150 1 124 . 1 1 12 12 LEU H H 1 8.237 . . . . . . . . . . . 4150 1 125 . 1 1 12 12 LEU CA C 13 56.556 . . . . . . . . . . . 4150 1 126 . 1 1 12 12 LEU HA H 1 5.095 . . . . . . . . . . . 4150 1 127 . 1 1 12 12 LEU CB C 13 83.013 . . . . . . . . . . . 4150 1 128 . 1 1 12 12 LEU HB2 H 1 1.327 . . . . . . . . . . . 4150 1 129 . 1 1 12 12 LEU HB3 H 1 1.759 . . . . . . . . . . . 4150 1 130 . 1 1 12 12 LEU CG C 13 69.279 . . . . . . . . . . . 4150 1 131 . 1 1 12 12 LEU HG H 1 1.581 . . . . . . . . . . . 4150 1 132 . 1 1 12 12 LEU CD1 C 13 66.366 . . . . . . . . . . . 4150 1 133 . 1 1 12 12 LEU HD11 H 1 0.961 . . . . . . . . . . . 4150 1 134 . 1 1 12 12 LEU HD12 H 1 0.961 . . . . . . . . . . . 4150 1 135 . 1 1 12 12 LEU HD13 H 1 0.961 . . . . . . . . . . . 4150 1 136 . 1 1 12 12 LEU CD2 C 13 63.704 . . . . . . . . . . . 4150 1 137 . 1 1 12 12 LEU HD21 H 1 0.969 . . . . . . . . . . . 4150 1 138 . 1 1 12 12 LEU HD22 H 1 0.969 . . . . . . . . . . . 4150 1 139 . 1 1 12 12 LEU HD23 H 1 0.969 . . . . . . . . . . . 4150 1 140 . 1 1 13 13 SER N N 15 119.458 . . . . . . . . . . . 4150 1 141 . 1 1 13 13 SER H H 1 9.113 . . . . . . . . . . . 4150 1 142 . 1 1 13 13 SER CA C 13 57.517 . . . . . . . . . . . 4150 1 143 . 1 1 13 13 SER HA H 1 4.717 . . . . . . . . . . . 4150 1 144 . 1 1 13 13 SER CB C 13 65.722 . . . . . . . . . . . 4150 1 145 . 1 1 13 13 SER HB3 H 1 3.688 . . . . . . . . . . . 4150 1 146 . 1 1 13 13 SER HB2 H 1 3.688 . . . . . . . . . . . 4150 1 147 . 1 1 14 14 VAL N N 15 123.454 . . . . . . . . . . . 4150 1 148 . 1 1 14 14 VAL H H 1 8.472 . . . . . . . . . . . 4150 1 149 . 1 1 14 14 VAL CA C 13 60.963 . . . . . . . . . . . 4150 1 150 . 1 1 14 14 VAL HA H 1 4.730 . . . . . . . . . . . 4150 1 151 . 1 1 14 14 VAL CB C 13 72.729 . . . . . . . . . . . 4150 1 152 . 1 1 14 14 VAL HB H 1 1.922 . . . . . . . . . . . 4150 1 153 . 1 1 14 14 VAL CG2 C 13 61.431 . . . . . . . . . . . 4150 1 154 . 1 1 14 14 VAL HG21 H 1 0.613 . . . . . . . . . . . 4150 1 155 . 1 1 14 14 VAL HG22 H 1 0.613 . . . . . . . . . . . 4150 1 156 . 1 1 14 14 VAL HG23 H 1 0.613 . . . . . . . . . . . 4150 1 157 . 1 1 14 14 VAL CG1 C 13 64.283 . . . . . . . . . . . 4150 1 158 . 1 1 14 14 VAL HG11 H 1 0.725 . . . . . . . . . . . 4150 1 159 . 1 1 14 14 VAL HG12 H 1 0.725 . . . . . . . . . . . 4150 1 160 . 1 1 14 14 VAL HG13 H 1 0.725 . . . . . . . . . . . 4150 1 161 . 1 1 15 15 ILE N N 15 126.769 . . . . . . . . . . . 4150 1 162 . 1 1 15 15 ILE H H 1 9.399 . . . . . . . . . . . 4150 1 163 . 1 1 15 15 ILE CA C 13 59.861 . . . . . . . . . . . 4150 1 164 . 1 1 15 15 ILE HA H 1 4.582 . . . . . . . . . . . 4150 1 165 . 1 1 15 15 ILE CB C 13 81.714 . . . . . . . . . . . 4150 1 166 . 1 1 15 15 ILE HB H 1 1.802 . . . . . . . . . . . 4150 1 167 . 1 1 15 15 ILE CG1 C 13 67.192 . . . . . . . . . . . 4150 1 168 . 1 1 15 15 ILE HG12 H 1 1.156 . . . . . . . . . . . 4150 1 169 . 1 1 15 15 ILE HG13 H 1 1.399 . . . . . . . . . . . 4150 1 170 . 1 1 15 15 ILE CD1 C 13 53.617 . . . . . . . . . . . 4150 1 171 . 1 1 15 15 ILE HD11 H 1 0.799 . . . . . . . . . . . 4150 1 172 . 1 1 15 15 ILE HD12 H 1 0.799 . . . . . . . . . . . 4150 1 173 . 1 1 15 15 ILE HD13 H 1 0.799 . . . . . . . . . . . 4150 1 174 . 1 1 15 15 ILE CG2 C 13 57.522 . . . . . . . . . . . 4150 1 175 . 1 1 15 15 ILE HG21 H 1 0.980 . . . . . . . . . . . 4150 1 176 . 1 1 15 15 ILE HG22 H 1 0.980 . . . . . . . . . . . 4150 1 177 . 1 1 15 15 ILE HG23 H 1 0.980 . . . . . . . . . . . 4150 1 178 . 1 1 16 16 ASN N N 15 123.330 . . . . . . . . . . . 4150 1 179 . 1 1 16 16 ASN H H 1 8.450 . . . . . . . . . . . 4150 1 180 . 1 1 16 16 ASN CA C 13 52.427 . . . . . . . . . . . 4150 1 181 . 1 1 16 16 ASN HA H 1 4.899 . . . . . . . . . . . 4150 1 182 . 1 1 16 16 ASN CB C 13 78.912 . . . . . . . . . . . 4150 1 183 . 1 1 16 16 ASN HB2 H 1 2.915 . . . . . . . . . . . 4150 1 184 . 1 1 16 16 ASN HB3 H 1 3.082 . . . . . . . . . . . 4150 1 185 . 1 1 16 16 ASN ND2 N 15 110.364 . . . . . . . . . . . 4150 1 186 . 1 1 16 16 ASN HD21 H 1 7.262 . . . . . . . . . . . 4150 1 187 . 1 1 16 16 ASN HD22 H 1 7.187 . . . . . . . . . . . 4150 1 188 . 1 1 17 17 SER N N 15 113.204 . . . . . . . . . . . 4150 1 189 . 1 1 17 17 SER H H 1 8.134 . . . . . . . . . . . 4150 1 190 . 1 1 17 17 SER CA C 13 57.398 . . . . . . . . . . . 4150 1 191 . 1 1 17 17 SER HA H 1 4.487 . . . . . . . . . . . 4150 1 192 . 1 1 17 17 SER CB C 13 64.266 . . . . . . . . . . . 4150 1 193 . 1 1 17 17 SER HB3 H 1 3.781 . . . . . . . . . . . 4150 1 194 . 1 1 17 17 SER HB2 H 1 3.781 . . . . . . . . . . . 4150 1 195 . 1 1 18 18 GLU N N 15 122.987 . . . . . . . . . . . 4150 1 196 . 1 1 18 18 GLU H H 1 8.549 . . . . . . . . . . . 4150 1 197 . 1 1 18 18 GLU CA C 13 56.480 . . . . . . . . . . . 4150 1 198 . 1 1 18 18 GLU HA H 1 3.541 . . . . . . . . . . . 4150 1 199 . 1 1 18 18 GLU CB C 13 70.092 . . . . . . . . . . . 4150 1 200 . 1 1 18 18 GLU HB2 H 1 1.707 . . . . . . . . . . . 4150 1 201 . 1 1 18 18 GLU HB3 H 1 1.882 . . . . . . . . . . . 4150 1 202 . 1 1 18 18 GLU CG C 13 76.159 . . . . . . . . . . . 4150 1 203 . 1 1 18 18 GLU HG2 H 1 2.116 . . . . . . . . . . . 4150 1 204 . 1 1 18 18 GLU HG3 H 1 2.116 . . . . . . . . . . . 4150 1 205 . 1 1 19 19 GLU N N 15 118.162 . . . . . . . . . . . 4150 1 206 . 1 1 19 19 GLU H H 1 8.250 . . . . . . . . . . . 4150 1 207 . 1 1 19 19 GLU CA C 13 57.097 . . . . . . . . . . . 4150 1 208 . 1 1 19 19 GLU HA H 1 4.125 . . . . . . . . . . . 4150 1 209 . 1 1 19 19 GLU CB C 13 69.830 . . . . . . . . . . . 4150 1 210 . 1 1 19 19 GLU HB2 H 1 1.820 . . . . . . . . . . . 4150 1 211 . 1 1 19 19 GLU HB3 H 1 1.931 . . . . . . . . . . . 4150 1 212 . 1 1 19 19 GLU CG C 13 76.369 . . . . . . . . . . . 4150 1 213 . 1 1 19 19 GLU HG2 H 1 2.148 . . . . . . . . . . . 4150 1 214 . 1 1 19 19 GLU HG3 H 1 2.148 . . . . . . . . . . . 4150 1 215 . 1 1 20 20 LEU N N 15 119.072 . . . . . . . . . . . 4150 1 216 . 1 1 20 20 LEU H H 1 7.482 . . . . . . . . . . . 4150 1 217 . 1 1 20 20 LEU CA C 13 54.436 . . . . . . . . . . . 4150 1 218 . 1 1 20 20 LEU HA H 1 4.683 . . . . . . . . . . . 4150 1 219 . 1 1 20 20 LEU CB C 13 84.806 . . . . . . . . . . . 4150 1 220 . 1 1 20 20 LEU HB3 H 1 1.565 . . . . . . . . . . . 4150 1 221 . 1 1 20 20 LEU HB2 H 1 1.565 . . . . . . . . . . . 4150 1 222 . 1 1 20 20 LEU CG C 13 67.324 . . . . . . . . . . . 4150 1 223 . 1 1 20 20 LEU HG H 1 1.554 . . . . . . . . . . . 4150 1 224 . 1 1 20 20 LEU CD1 C 13 64.257 . . . . . . . . . . . 4150 1 225 . 1 1 20 20 LEU CD2 C 13 64.257 . . . . . . . . . . . 4150 1 226 . 1 1 20 20 LEU HD11 H 1 0.916 . . . . . . . . . . . 4150 1 227 . 1 1 20 20 LEU HD12 H 1 0.916 . . . . . . . . . . . 4150 1 228 . 1 1 20 20 LEU HD13 H 1 0.916 . . . . . . . . . . . 4150 1 229 . 1 1 20 20 LEU HD21 H 1 0.916 . . . . . . . . . . . 4150 1 230 . 1 1 20 20 LEU HD22 H 1 0.916 . . . . . . . . . . . 4150 1 231 . 1 1 20 20 LEU HD23 H 1 0.916 . . . . . . . . . . . 4150 1 232 . 1 1 21 21 SER N N 15 118.519 . . . . . . . . . . . 4150 1 233 . 1 1 21 21 SER H H 1 8.754 . . . . . . . . . . . 4150 1 234 . 1 1 21 21 SER CA C 13 59.469 . . . . . . . . . . . 4150 1 235 . 1 1 21 21 SER HA H 1 4.495 . . . . . . . . . . . 4150 1 236 . 1 1 21 21 SER CB C 13 63.971 . . . . . . . . . . . 4150 1 237 . 1 1 21 21 SER HB2 H 1 3.898 . . . . . . . . . . . 4150 1 238 . 1 1 21 21 SER HB3 H 1 4.149 . . . . . . . . . . . 4150 1 239 . 1 1 22 22 SER N N 15 107.707 . . . . . . . . . . . 4150 1 240 . 1 1 22 22 SER H H 1 7.196 . . . . . . . . . . . 4150 1 241 . 1 1 22 22 SER CA C 13 56.424 . . . . . . . . . . . 4150 1 242 . 1 1 22 22 SER HA H 1 4.552 . . . . . . . . . . . 4150 1 243 . 1 1 22 22 SER CB C 13 64.680 . . . . . . . . . . . 4150 1 244 . 1 1 22 22 SER HB2 H 1 3.697 . . . . . . . . . . . 4150 1 245 . 1 1 22 22 SER HB3 H 1 4.288 . . . . . . . . . . . 4150 1 246 . 1 1 23 23 ILE N N 15 113.345 . . . . . . . . . . . 4150 1 247 . 1 1 23 23 ILE H H 1 6.800 . . . . . . . . . . . 4150 1 248 . 1 1 23 23 ILE CA C 13 58.651 . . . . . . . . . . . 4150 1 249 . 1 1 23 23 ILE HA H 1 5.365 . . . . . . . . . . . 4150 1 250 . 1 1 23 23 ILE CB C 13 81.806 . . . . . . . . . . . 4150 1 251 . 1 1 23 23 ILE HB H 1 1.554 . . . . . . . . . . . 4150 1 252 . 1 1 23 23 ILE CG1 C 13 66.260 . . . . . . . . . . . 4150 1 253 . 1 1 23 23 ILE HG12 H 1 1.055 . . . . . . . . . . . 4150 1 254 . 1 1 23 23 ILE HG13 H 1 1.357 . . . . . . . . . . . 4150 1 255 . 1 1 23 23 ILE CD1 C 13 54.010 . . . . . . . . . . . 4150 1 256 . 1 1 23 23 ILE HD11 H 1 0.760 . . . . . . . . . . . 4150 1 257 . 1 1 23 23 ILE HD12 H 1 0.760 . . . . . . . . . . . 4150 1 258 . 1 1 23 23 ILE HD13 H 1 0.760 . . . . . . . . . . . 4150 1 259 . 1 1 23 23 ILE CG2 C 13 58.308 . . . . . . . . . . . 4150 1 260 . 1 1 23 23 ILE HG21 H 1 0.735 . . . . . . . . . . . 4150 1 261 . 1 1 23 23 ILE HG22 H 1 0.735 . . . . . . . . . . . 4150 1 262 . 1 1 23 23 ILE HG23 H 1 0.735 . . . . . . . . . . . 4150 1 263 . 1 1 24 24 LEU N N 15 121.258 . . . . . . . . . . . 4150 1 264 . 1 1 24 24 LEU H H 1 8.031 . . . . . . . . . . . 4150 1 265 . 1 1 24 24 LEU CA C 13 54.356 . . . . . . . . . . . 4150 1 266 . 1 1 24 24 LEU HA H 1 4.491 . . . . . . . . . . . 4150 1 267 . 1 1 24 24 LEU CB C 13 86.153 . . . . . . . . . . . 4150 1 268 . 1 1 24 24 LEU HB2 H 1 0.916 . . . . . . . . . . . 4150 1 269 . 1 1 24 24 LEU HB3 H 1 1.194 . . . . . . . . . . . 4150 1 270 . 1 1 24 24 LEU CG C 13 66.376 . . . . . . . . . . . 4150 1 271 . 1 1 24 24 LEU HG H 1 1.450 . . . . . . . . . . . 4150 1 272 . 1 1 24 24 LEU CD1 C 13 66.460 . . . . . . . . . . . 4150 1 273 . 1 1 24 24 LEU HD11 H 1 0.828 . . . . . . . . . . . 4150 1 274 . 1 1 24 24 LEU HD12 H 1 0.828 . . . . . . . . . . . 4150 1 275 . 1 1 24 24 LEU HD13 H 1 0.828 . . . . . . . . . . . 4150 1 276 . 1 1 24 24 LEU CD2 C 13 62.782 . . . . . . . . . . . 4150 1 277 . 1 1 24 24 LEU HD21 H 1 0.763 . . . . . . . . . . . 4150 1 278 . 1 1 24 24 LEU HD22 H 1 0.763 . . . . . . . . . . . 4150 1 279 . 1 1 24 24 LEU HD23 H 1 0.763 . . . . . . . . . . . 4150 1 280 . 1 1 25 25 LYS N N 15 121.034 . . . . . . . . . . . 4150 1 281 . 1 1 25 25 LYS H H 1 8.861 . . . . . . . . . . . 4150 1 282 . 1 1 25 25 LYS CA C 13 54.958 . . . . . . . . . . . 4150 1 283 . 1 1 25 25 LYS HA H 1 4.806 . . . . . . . . . . . 4150 1 284 . 1 1 25 25 LYS CB C 13 74.259 . . . . . . . . . . . 4150 1 285 . 1 1 25 25 LYS HB2 H 1 1.545 . . . . . . . . . . . 4150 1 286 . 1 1 25 25 LYS HB3 H 1 1.745 . . . . . . . . . . . 4150 1 287 . 1 1 25 25 LYS CG C 13 65.192 . . . . . . . . . . . 4150 1 288 . 1 1 25 25 LYS HG2 H 1 1.072 . . . . . . . . . . . 4150 1 289 . 1 1 25 25 LYS HG3 H 1 1.155 . . . . . . . . . . . 4150 1 290 . 1 1 25 25 LYS CD C 13 69.502 . . . . . . . . . . . 4150 1 291 . 1 1 25 25 LYS HD2 H 1 1.470 . . . . . . . . . . . 4150 1 292 . 1 1 25 25 LYS HD3 H 1 1.470 . . . . . . . . . . . 4150 1 293 . 1 1 25 25 LYS CE C 13 81.650 . . . . . . . . . . . 4150 1 294 . 1 1 25 25 LYS HE2 H 1 2.670 . . . . . . . . . . . 4150 1 295 . 1 1 25 25 LYS HE3 H 1 2.670 . . . . . . . . . . . 4150 1 296 . 1 1 26 26 LEU N N 15 126.707 . . . . . . . . . . . 4150 1 297 . 1 1 26 26 LEU H H 1 8.974 . . . . . . . . . . . 4150 1 298 . 1 1 26 26 LEU CA C 13 52.992 . . . . . . . . . . . 4150 1 299 . 1 1 26 26 LEU HA H 1 5.285 . . . . . . . . . . . 4150 1 300 . 1 1 26 26 LEU CB C 13 84.667 . . . . . . . . . . . 4150 1 301 . 1 1 26 26 LEU HB2 H 1 1.482 . . . . . . . . . . . 4150 1 302 . 1 1 26 26 LEU HB3 H 1 1.695 . . . . . . . . . . . 4150 1 303 . 1 1 26 26 LEU CG C 13 67.582 . . . . . . . . . . . 4150 1 304 . 1 1 26 26 LEU HG H 1 1.548 . . . . . . . . . . . 4150 1 305 . 1 1 26 26 LEU CD1 C 13 64.197 . . . . . . . . . . . 4150 1 306 . 1 1 26 26 LEU HD11 H 1 0.590 . . . . . . . . . . . 4150 1 307 . 1 1 26 26 LEU HD12 H 1 0.590 . . . . . . . . . . . 4150 1 308 . 1 1 26 26 LEU HD13 H 1 0.590 . . . . . . . . . . . 4150 1 309 . 1 1 26 26 LEU CD2 C 13 64.564 . . . . . . . . . . . 4150 1 310 . 1 1 26 26 LEU HD21 H 1 0.340 . . . . . . . . . . . 4150 1 311 . 1 1 26 26 LEU HD22 H 1 0.340 . . . . . . . . . . . 4150 1 312 . 1 1 26 26 LEU HD23 H 1 0.340 . . . . . . . . . . . 4150 1 313 . 1 1 27 27 THR N N 15 113.996 . . . . . . . . . . . 4150 1 314 . 1 1 27 27 THR H H 1 8.883 . . . . . . . . . . . 4150 1 315 . 1 1 27 27 THR CA C 13 60.118 . . . . . . . . . . . 4150 1 316 . 1 1 27 27 THR HA H 1 4.857 . . . . . . . . . . . 4150 1 317 . 1 1 27 27 THR CB C 13 71.710 . . . . . . . . . . . 4150 1 318 . 1 1 27 27 THR HB H 1 4.165 . . . . . . . . . . . 4150 1 319 . 1 1 27 27 THR CG2 C 13 61.213 . . . . . . . . . . . 4150 1 320 . 1 1 27 27 THR HG21 H 1 0.991 . . . . . . . . . . . 4150 1 321 . 1 1 27 27 THR HG22 H 1 0.991 . . . . . . . . . . . 4150 1 322 . 1 1 27 27 THR HG23 H 1 0.991 . . . . . . . . . . . 4150 1 323 . 1 1 28 28 TRP N N 15 116.418 . . . . . . . . . . . 4150 1 324 . 1 1 28 28 TRP H H 1 7.755 . . . . . . . . . . . 4150 1 325 . 1 1 28 28 TRP CA C 13 57.420 . . . . . . . . . . . 4150 1 326 . 1 1 28 28 TRP HA H 1 4.892 . . . . . . . . . . . 4150 1 327 . 1 1 28 28 TRP CB C 13 69.956 . . . . . . . . . . . 4150 1 328 . 1 1 28 28 TRP HB2 H 1 2.909 . . . . . . . . . . . 4150 1 329 . 1 1 28 28 TRP HB3 H 1 3.339 . . . . . . . . . . . 4150 1 330 . 1 1 28 28 TRP CD1 C 13 85.854 . . . . . . . . . . . 4150 1 331 . 1 1 28 28 TRP HD1 H 1 6.507 . . . . . . . . . . . 4150 1 332 . 1 1 28 28 TRP NE1 N 15 128.949 . . . . . . . . . . . 4150 1 333 . 1 1 28 28 TRP HE1 H 1 9.385 . . . . . . . . . . . 4150 1 334 . 1 1 28 28 TRP CZ2 C 13 74.795 . . . . . . . . . . . 4150 1 335 . 1 1 28 28 TRP HZ2 H 1 5.835 . . . . . . . . . . . 4150 1 336 . 1 1 28 28 TRP CH2 C 13 82.392 . . . . . . . . . . . 4150 1 337 . 1 1 28 28 TRP HH2 H 1 6.155 . . . . . . . . . . . 4150 1 338 . 1 1 28 28 TRP CZ3 C 13 80.320 . . . . . . . . . . . 4150 1 339 . 1 1 28 28 TRP HZ3 H 1 6.444 . . . . . . . . . . . 4150 1 340 . 1 1 28 28 TRP CE3 C 13 80.239 . . . . . . . . . . . 4150 1 341 . 1 1 28 28 TRP HE3 H 1 6.741 . . . . . . . . . . . 4150 1 342 . 1 1 29 29 THR N N 15 114.110 . . . . . . . . . . . 4150 1 343 . 1 1 29 29 THR H H 1 8.946 . . . . . . . . . . . 4150 1 344 . 1 1 29 29 THR CA C 13 61.386 . . . . . . . . . . . 4150 1 345 . 1 1 29 29 THR HA H 1 4.539 . . . . . . . . . . . 4150 1 346 . 1 1 29 29 THR CB C 13 69.772 . . . . . . . . . . . 4150 1 347 . 1 1 29 29 THR HB H 1 2.906 . . . . . . . . . . . 4150 1 348 . 1 1 29 29 THR CG2 C 13 62.629 . . . . . . . . . . . 4150 1 349 . 1 1 29 29 THR HG21 H 1 1.302 . . . . . . . . . . . 4150 1 350 . 1 1 29 29 THR HG22 H 1 1.302 . . . . . . . . . . . 4150 1 351 . 1 1 29 29 THR HG23 H 1 1.302 . . . . . . . . . . . 4150 1 352 . 1 1 30 30 ASN N N 15 124.956 . . . . . . . . . . . 4150 1 353 . 1 1 30 30 ASN H H 1 9.119 . . . . . . . . . . . 4150 1 354 . 1 1 30 30 ASN CA C 13 52.901 . . . . . . . . . . . 4150 1 355 . 1 1 30 30 ASN HA H 1 5.053 . . . . . . . . . . . 4150 1 356 . 1 1 30 30 ASN CB C 13 78.917 . . . . . . . . . . . 4150 1 357 . 1 1 30 30 ASN HB2 H 1 2.687 . . . . . . . . . . . 4150 1 358 . 1 1 30 30 ASN HB3 H 1 2.763 . . . . . . . . . . . 4150 1 359 . 1 1 30 30 ASN ND2 N 15 118.159 . . . . . . . . . . . 4150 1 360 . 1 1 30 30 ASN HD21 H 1 8.114 . . . . . . . . . . . 4150 1 361 . 1 1 30 30 ASN HD22 H 1 7.250 . . . . . . . . . . . 4150 1 362 . 1 1 31 31 PRO CA C 13 62.302 . . . . . . . . . . . 4150 1 363 . 1 1 31 31 PRO HA H 1 4.668 . . . . . . . . . . . 4150 1 364 . 1 1 31 31 PRO CB C 13 72.495 . . . . . . . . . . . 4150 1 365 . 1 1 31 31 PRO HB2 H 1 2.011 . . . . . . . . . . . 4150 1 366 . 1 1 31 31 PRO HB3 H 1 2.112 . . . . . . . . . . . 4150 1 367 . 1 1 31 31 PRO CG C 13 67.276 . . . . . . . . . . . 4150 1 368 . 1 1 31 31 PRO HG2 H 1 1.843 . . . . . . . . . . . 4150 1 369 . 1 1 31 31 PRO HG3 H 1 2.392 . . . . . . . . . . . 4150 1 370 . 1 1 31 31 PRO CD C 13 90.027 . . . . . . . . . . . 4150 1 371 . 1 1 31 31 PRO HD2 H 1 3.379 . . . . . . . . . . . 4150 1 372 . 1 1 31 31 PRO HD3 H 1 3.865 . . . . . . . . . . . 4150 1 373 . 1 1 32 32 SER CA C 13 58.770 . . . . . . . . . . . 4150 1 374 . 1 1 32 32 SER HA H 1 4.368 . . . . . . . . . . . 4150 1 375 . 1 1 32 32 SER CB C 13 62.970 . . . . . . . . . . . 4150 1 376 . 1 1 32 32 SER HB3 H 1 3.872 . . . . . . . . . . . 4150 1 377 . 1 1 32 32 SER HB2 H 1 3.872 . . . . . . . . . . . 4150 1 378 . 1 1 33 33 ILE N N 15 123.124 . . . . . . . . . . . 4150 1 379 . 1 1 33 33 ILE H H 1 8.019 . . . . . . . . . . . 4150 1 380 . 1 1 33 33 ILE CA C 13 59.775 . . . . . . . . . . . 4150 1 381 . 1 1 33 33 ILE HA H 1 4.497 . . . . . . . . . . . 4150 1 382 . 1 1 33 33 ILE CB C 13 80.667 . . . . . . . . . . . 4150 1 383 . 1 1 33 33 ILE HB H 1 1.935 . . . . . . . . . . . 4150 1 384 . 1 1 33 33 ILE CG1 C 13 66.165 . . . . . . . . . . . 4150 1 385 . 1 1 33 33 ILE HG12 H 1 1.193 . . . . . . . . . . . 4150 1 386 . 1 1 33 33 ILE HG13 H 1 1.452 . . . . . . . . . . . 4150 1 387 . 1 1 33 33 ILE CD1 C 13 53.878 . . . . . . . . . . . 4150 1 388 . 1 1 33 33 ILE HD11 H 1 0.848 . . . . . . . . . . . 4150 1 389 . 1 1 33 33 ILE HD12 H 1 0.848 . . . . . . . . . . . 4150 1 390 . 1 1 33 33 ILE HD13 H 1 0.848 . . . . . . . . . . . 4150 1 391 . 1 1 33 33 ILE CG2 C 13 58.091 . . . . . . . . . . . 4150 1 392 . 1 1 33 33 ILE HG21 H 1 0.916 . . . . . . . . . . . 4150 1 393 . 1 1 33 33 ILE HG22 H 1 0.916 . . . . . . . . . . . 4150 1 394 . 1 1 33 33 ILE HG23 H 1 0.916 . . . . . . . . . . . 4150 1 395 . 1 1 34 34 LYS CA C 13 57.095 . . . . . . . . . . . 4150 1 396 . 1 1 34 34 LYS HA H 1 4.336 . . . . . . . . . . . 4150 1 397 . 1 1 34 34 LYS CB C 13 72.527 . . . . . . . . . . . 4150 1 398 . 1 1 34 34 LYS HB2 H 1 1.835 . . . . . . . . . . . 4150 1 399 . 1 1 34 34 LYS HB3 H 1 1.937 . . . . . . . . . . . 4150 1 400 . 1 1 34 34 LYS CG C 13 64.833 . . . . . . . . . . . 4150 1 401 . 1 1 34 34 LYS HG3 H 1 1.511 . . . . . . . . . . . 4150 1 402 . 1 1 34 34 LYS HG2 H 1 1.511 . . . . . . . . . . . 4150 1 403 . 1 1 34 34 LYS CD C 13 68.767 . . . . . . . . . . . 4150 1 404 . 1 1 34 34 LYS HD2 H 1 1.691 . . . . . . . . . . . 4150 1 405 . 1 1 34 34 LYS HD3 H 1 1.691 . . . . . . . . . . . 4150 1 406 . 1 1 34 34 LYS CE C 13 81.556 . . . . . . . . . . . 4150 1 407 . 1 1 34 34 LYS HE2 H 1 2.988 . . . . . . . . . . . 4150 1 408 . 1 1 34 34 LYS HE3 H 1 2.988 . . . . . . . . . . . 4150 1 409 . 1 1 35 35 SER CA C 13 59.616 . . . . . . . . . . . 4150 1 410 . 1 1 35 35 SER HA H 1 4.333 . . . . . . . . . . . 4150 1 411 . 1 1 35 35 SER CB C 13 63.553 . . . . . . . . . . . 4150 1 412 . 1 1 35 35 SER HB3 H 1 3.931 . . . . . . . . . . . 4150 1 413 . 1 1 35 35 SER HB2 H 1 3.931 . . . . . . . . . . . 4150 1 414 . 1 1 36 36 VAL N N 15 116.016 . . . . . . . . . . . 4150 1 415 . 1 1 36 36 VAL H H 1 7.593 . . . . . . . . . . . 4150 1 416 . 1 1 36 36 VAL CA C 13 62.570 . . . . . . . . . . . 4150 1 417 . 1 1 36 36 VAL HA H 1 4.137 . . . . . . . . . . . 4150 1 418 . 1 1 36 36 VAL CB C 13 71.318 . . . . . . . . . . . 4150 1 419 . 1 1 36 36 VAL HB H 1 2.239 . . . . . . . . . . . 4150 1 420 . 1 1 36 36 VAL CG2 C 13 59.885 . . . . . . . . . . . 4150 1 421 . 1 1 36 36 VAL HG21 H 1 0.911 . . . . . . . . . . . 4150 1 422 . 1 1 36 36 VAL HG22 H 1 0.911 . . . . . . . . . . . 4150 1 423 . 1 1 36 36 VAL HG23 H 1 0.911 . . . . . . . . . . . 4150 1 424 . 1 1 36 36 VAL CG1 C 13 61.160 . . . . . . . . . . . 4150 1 425 . 1 1 36 36 VAL HG11 H 1 0.932 . . . . . . . . . . . 4150 1 426 . 1 1 36 36 VAL HG12 H 1 0.932 . . . . . . . . . . . 4150 1 427 . 1 1 36 36 VAL HG13 H 1 0.932 . . . . . . . . . . . 4150 1 428 . 1 1 37 37 ILE N N 15 123.035 . . . . . . . . . . . 4150 1 429 . 1 1 37 37 ILE H H 1 7.719 . . . . . . . . . . . 4150 1 430 . 1 1 37 37 ILE CA C 13 59.838 . . . . . . . . . . . 4150 1 431 . 1 1 37 37 ILE HA H 1 4.292 . . . . . . . . . . . 4150 1 432 . 1 1 37 37 ILE CB C 13 78.897 . . . . . . . . . . . 4150 1 433 . 1 1 37 37 ILE HB H 1 1.940 . . . . . . . . . . . 4150 1 434 . 1 1 37 37 ILE CG1 C 13 66.910 . . . . . . . . . . . 4150 1 435 . 1 1 37 37 ILE HG12 H 1 1.165 . . . . . . . . . . . 4150 1 436 . 1 1 37 37 ILE HG13 H 1 1.456 . . . . . . . . . . . 4150 1 437 . 1 1 37 37 ILE CD1 C 13 52.516 . . . . . . . . . . . 4150 1 438 . 1 1 37 37 ILE HD11 H 1 0.795 . . . . . . . . . . . 4150 1 439 . 1 1 37 37 ILE HD12 H 1 0.795 . . . . . . . . . . . 4150 1 440 . 1 1 37 37 ILE HD13 H 1 0.795 . . . . . . . . . . . 4150 1 441 . 1 1 37 37 ILE CG2 C 13 57.872 . . . . . . . . . . . 4150 1 442 . 1 1 37 37 ILE HG21 H 1 0.816 . . . . . . . . . . . 4150 1 443 . 1 1 37 37 ILE HG22 H 1 0.816 . . . . . . . . . . . 4150 1 444 . 1 1 37 37 ILE HG23 H 1 0.816 . . . . . . . . . . . 4150 1 445 . 1 1 38 38 ILE N N 15 125.320 . . . . . . . . . . . 4150 1 446 . 1 1 38 38 ILE H H 1 8.252 . . . . . . . . . . . 4150 1 447 . 1 1 38 38 ILE CA C 13 60.811 . . . . . . . . . . . 4150 1 448 . 1 1 38 38 ILE HA H 1 3.980 . . . . . . . . . . . 4150 1 449 . 1 1 38 38 ILE CB C 13 78.667 . . . . . . . . . . . 4150 1 450 . 1 1 38 38 ILE HB H 1 1.808 . . . . . . . . . . . 4150 1 451 . 1 1 38 38 ILE CG1 C 13 67.228 . . . . . . . . . . . 4150 1 452 . 1 1 38 38 ILE HG12 H 1 1.269 . . . . . . . . . . . 4150 1 453 . 1 1 38 38 ILE HG13 H 1 1.600 . . . . . . . . . . . 4150 1 454 . 1 1 38 38 ILE CD1 C 13 52.291 . . . . . . . . . . . 4150 1 455 . 1 1 38 38 ILE HD11 H 1 0.911 . . . . . . . . . . . 4150 1 456 . 1 1 38 38 ILE HD12 H 1 0.911 . . . . . . . . . . . 4150 1 457 . 1 1 38 38 ILE HD13 H 1 0.911 . . . . . . . . . . . 4150 1 458 . 1 1 38 38 ILE CG2 C 13 58.096 . . . . . . . . . . . 4150 1 459 . 1 1 38 38 ILE HG21 H 1 1.012 . . . . . . . . . . . 4150 1 460 . 1 1 38 38 ILE HG22 H 1 1.012 . . . . . . . . . . . 4150 1 461 . 1 1 38 38 ILE HG23 H 1 1.012 . . . . . . . . . . . 4150 1 462 . 1 1 39 39 LEU N N 15 126.334 . . . . . . . . . . . 4150 1 463 . 1 1 39 39 LEU H H 1 7.824 . . . . . . . . . . . 4150 1 464 . 1 1 39 39 LEU CA C 13 53.372 . . . . . . . . . . . 4150 1 465 . 1 1 39 39 LEU HA H 1 4.797 . . . . . . . . . . . 4150 1 466 . 1 1 39 39 LEU CB C 13 84.498 . . . . . . . . . . . 4150 1 467 . 1 1 39 39 LEU HB2 H 1 0.693 . . . . . . . . . . . 4150 1 468 . 1 1 39 39 LEU HB3 H 1 1.781 . . . . . . . . . . . 4150 1 469 . 1 1 39 39 LEU CG C 13 66.985 . . . . . . . . . . . 4150 1 470 . 1 1 39 39 LEU HG H 1 1.577 . . . . . . . . . . . 4150 1 471 . 1 1 39 39 LEU CD1 C 13 65.596 . . . . . . . . . . . 4150 1 472 . 1 1 39 39 LEU HD11 H 1 0.936 . . . . . . . . . . . 4150 1 473 . 1 1 39 39 LEU HD12 H 1 0.936 . . . . . . . . . . . 4150 1 474 . 1 1 39 39 LEU HD13 H 1 0.936 . . . . . . . . . . . 4150 1 475 . 1 1 39 39 LEU CD2 C 13 63.537 . . . . . . . . . . . 4150 1 476 . 1 1 39 39 LEU HD21 H 1 0.580 . . . . . . . . . . . 4150 1 477 . 1 1 39 39 LEU HD22 H 1 0.580 . . . . . . . . . . . 4150 1 478 . 1 1 39 39 LEU HD23 H 1 0.580 . . . . . . . . . . . 4150 1 479 . 1 1 40 40 LYS N N 15 112.192 . . . . . . . . . . . 4150 1 480 . 1 1 40 40 LYS H H 1 8.077 . . . . . . . . . . . 4150 1 481 . 1 1 40 40 LYS CA C 13 53.670 . . . . . . . . . . . 4150 1 482 . 1 1 40 40 LYS HA H 1 4.456 . . . . . . . . . . . 4150 1 483 . 1 1 40 40 LYS CB C 13 75.546 . . . . . . . . . . . 4150 1 484 . 1 1 40 40 LYS HB2 H 1 1.686 . . . . . . . . . . . 4150 1 485 . 1 1 40 40 LYS HB3 H 1 1.768 . . . . . . . . . . . 4150 1 486 . 1 1 40 40 LYS CG C 13 63.987 . . . . . . . . . . . 4150 1 487 . 1 1 40 40 LYS HG3 H 1 1.575 . . . . . . . . . . . 4150 1 488 . 1 1 40 40 LYS HG2 H 1 1.575 . . . . . . . . . . . 4150 1 489 . 1 1 40 40 LYS CD C 13 69.534 . . . . . . . . . . . 4150 1 490 . 1 1 40 40 LYS HD2 H 1 1.691 . . . . . . . . . . . 4150 1 491 . 1 1 40 40 LYS HD3 H 1 1.691 . . . . . . . . . . . 4150 1 492 . 1 1 40 40 LYS CE C 13 81.979 . . . . . . . . . . . 4150 1 493 . 1 1 40 40 LYS HE3 H 1 2.668 . . . . . . . . . . . 4150 1 494 . 1 1 40 40 LYS HE2 H 1 2.755 . . . . . . . . . . . 4150 1 495 . 1 1 41 41 TYR N N 15 112.231 . . . . . . . . . . . 4150 1 496 . 1 1 41 41 TYR H H 1 8.425 . . . . . . . . . . . 4150 1 497 . 1 1 41 41 TYR CA C 13 56.893 . . . . . . . . . . . 4150 1 498 . 1 1 41 41 TYR HA H 1 5.801 . . . . . . . . . . . 4150 1 499 . 1 1 41 41 TYR CB C 13 82.581 . . . . . . . . . . . 4150 1 500 . 1 1 41 41 TYR HB2 H 1 2.653 . . . . . . . . . . . 4150 1 501 . 1 1 41 41 TYR HB3 H 1 2.858 . . . . . . . . . . . 4150 1 502 . 1 1 41 41 TYR HD1 H 1 6.842 . . . . . . . . . . . 4150 1 503 . 1 1 41 41 TYR HE1 H 1 7.216 . . . . . . . . . . . 4150 1 504 . 1 1 41 41 TYR HE2 H 1 7.216 . . . . . . . . . . . 4150 1 505 . 1 1 41 41 TYR HD2 H 1 6.842 . . . . . . . . . . . 4150 1 506 . 1 1 42 42 ASN N N 15 119.291 . . . . . . . . . . . 4150 1 507 . 1 1 42 42 ASN H H 1 8.191 . . . . . . . . . . . 4150 1 508 . 1 1 42 42 ASN CA C 13 52.128 . . . . . . . . . . . 4150 1 509 . 1 1 42 42 ASN HA H 1 5.336 . . . . . . . . . . . 4150 1 510 . 1 1 42 42 ASN CB C 13 81.787 . . . . . . . . . . . 4150 1 511 . 1 1 42 42 ASN HB2 H 1 1.987 . . . . . . . . . . . 4150 1 512 . 1 1 42 42 ASN HB3 H 1 2.389 . . . . . . . . . . . 4150 1 513 . 1 1 42 42 ASN ND2 N 15 107.749 . . . . . . . . . . . 4150 1 514 . 1 1 42 42 ASN HD21 H 1 7.088 . . . . . . . . . . . 4150 1 515 . 1 1 42 42 ASN HD22 H 1 6.891 . . . . . . . . . . . 4150 1 516 . 1 1 43 43 ILE N N 15 124.502 . . . . . . . . . . . 4150 1 517 . 1 1 43 43 ILE H H 1 9.478 . . . . . . . . . . . 4150 1 518 . 1 1 43 43 ILE CA C 13 61.314 . . . . . . . . . . . 4150 1 519 . 1 1 43 43 ILE HA H 1 4.647 . . . . . . . . . . . 4150 1 520 . 1 1 43 43 ILE CB C 13 78.961 . . . . . . . . . . . 4150 1 521 . 1 1 43 43 ILE HB H 1 1.488 . . . . . . . . . . . 4150 1 522 . 1 1 43 43 ILE CG1 C 13 67.269 . . . . . . . . . . . 4150 1 523 . 1 1 43 43 ILE HG12 H 1 0.554 . . . . . . . . . . . 4150 1 524 . 1 1 43 43 ILE HG13 H 1 1.337 . . . . . . . . . . . 4150 1 525 . 1 1 43 43 ILE CD1 C 13 54.026 . . . . . . . . . . . 4150 1 526 . 1 1 43 43 ILE HD11 H 1 0.365 . . . . . . . . . . . 4150 1 527 . 1 1 43 43 ILE HD12 H 1 0.365 . . . . . . . . . . . 4150 1 528 . 1 1 43 43 ILE HD13 H 1 0.365 . . . . . . . . . . . 4150 1 529 . 1 1 43 43 ILE CG2 C 13 57.024 . . . . . . . . . . . 4150 1 530 . 1 1 43 43 ILE HG21 H 1 0.850 . . . . . . . . . . . 4150 1 531 . 1 1 43 43 ILE HG22 H 1 0.850 . . . . . . . . . . . 4150 1 532 . 1 1 43 43 ILE HG23 H 1 0.850 . . . . . . . . . . . 4150 1 533 . 1 1 44 44 GLN N N 15 125.314 . . . . . . . . . . . 4150 1 534 . 1 1 44 44 GLN H H 1 8.900 . . . . . . . . . . . 4150 1 535 . 1 1 44 44 GLN CA C 13 53.401 . . . . . . . . . . . 4150 1 536 . 1 1 44 44 GLN HA H 1 5.517 . . . . . . . . . . . 4150 1 537 . 1 1 44 44 GLN CB C 13 72.936 . . . . . . . . . . . 4150 1 538 . 1 1 44 44 GLN HB2 H 1 0.850 . . . . . . . . . . . 4150 1 539 . 1 1 44 44 GLN HB3 H 1 1.924 . . . . . . . . . . . 4150 1 540 . 1 1 44 44 GLN CG C 13 74.166 . . . . . . . . . . . 4150 1 541 . 1 1 44 44 GLN HG2 H 1 2.202 . . . . . . . . . . . 4150 1 542 . 1 1 44 44 GLN HG3 H 1 2.202 . . . . . . . . . . . 4150 1 543 . 1 1 44 44 GLN NE2 N 15 106.658 . . . . . . . . . . . 4150 1 544 . 1 1 44 44 GLN HE21 H 1 6.990 . . . . . . . . . . . 4150 1 545 . 1 1 44 44 GLN HE22 H 1 6.453 . . . . . . . . . . . 4150 1 546 . 1 1 45 45 TYR N N 15 115.542 . . . . . . . . . . . 4150 1 547 . 1 1 45 45 TYR H H 1 8.685 . . . . . . . . . . . 4150 1 548 . 1 1 45 45 TYR CA C 13 55.164 . . . . . . . . . . . 4150 1 549 . 1 1 45 45 TYR HA H 1 6.166 . . . . . . . . . . . 4150 1 550 . 1 1 45 45 TYR CB C 13 83.595 . . . . . . . . . . . 4150 1 551 . 1 1 45 45 TYR HB2 H 1 2.026 . . . . . . . . . . . 4150 1 552 . 1 1 45 45 TYR HB3 H 1 2.808 . . . . . . . . . . . 4150 1 553 . 1 1 45 45 TYR CD1 C 13 52.589 . . . . . . . . . . . 4150 1 554 . 1 1 45 45 TYR HD1 H 1 6.676 . . . . . . . . . . . 4150 1 555 . 1 1 45 45 TYR CE1 C 13 78.094 . . . . . . . . . . . 4150 1 556 . 1 1 45 45 TYR HE1 H 1 6.609 . . . . . . . . . . . 4150 1 557 . 1 1 45 45 TYR CE2 C 13 78.094 . . . . . . . . . . . 4150 1 558 . 1 1 45 45 TYR HE2 H 1 6.609 . . . . . . . . . . . 4150 1 559 . 1 1 45 45 TYR CD2 C 13 52.589 . . . . . . . . . . . 4150 1 560 . 1 1 45 45 TYR HD2 H 1 6.676 . . . . . . . . . . . 4150 1 561 . 1 1 46 46 ARG N N 15 114.342 . . . . . . . . . . . 4150 1 562 . 1 1 46 46 ARG H H 1 8.768 . . . . . . . . . . . 4150 1 563 . 1 1 46 46 ARG CA C 13 54.298 . . . . . . . . . . . 4150 1 564 . 1 1 46 46 ARG HA H 1 4.677 . . . . . . . . . . . 4150 1 565 . 1 1 46 46 ARG CB C 13 72.263 . . . . . . . . . . . 4150 1 566 . 1 1 46 46 ARG HB3 H 1 1.272 . . . . . . . . . . . 4150 1 567 . 1 1 46 46 ARG HB2 H 1 1.506 . . . . . . . . . . . 4150 1 568 . 1 1 46 46 ARG CG C 13 64.436 . . . . . . . . . . . 4150 1 569 . 1 1 46 46 ARG HG2 H 1 1.369 . . . . . . . . . . . 4150 1 570 . 1 1 46 46 ARG HG3 H 1 1.369 . . . . . . . . . . . 4150 1 571 . 1 1 46 46 ARG CD C 13 81.489 . . . . . . . . . . . 4150 1 572 . 1 1 46 46 ARG HD2 H 1 2.080 . . . . . . . . . . . 4150 1 573 . 1 1 46 46 ARG HD3 H 1 2.080 . . . . . . . . . . . 4150 1 574 . 1 1 47 47 THR N N 15 111.939 . . . . . . . . . . . 4150 1 575 . 1 1 47 47 THR H H 1 8.311 . . . . . . . . . . . 4150 1 576 . 1 1 47 47 THR CA C 13 61.915 . . . . . . . . . . . 4150 1 577 . 1 1 47 47 THR HA H 1 4.328 . . . . . . . . . . . 4150 1 578 . 1 1 47 47 THR CB C 13 69.194 . . . . . . . . . . . 4150 1 579 . 1 1 47 47 THR HB H 1 4.274 . . . . . . . . . . . 4150 1 580 . 1 1 47 47 THR CG2 C 13 62.879 . . . . . . . . . . . 4150 1 581 . 1 1 47 47 THR HG21 H 1 0.863 . . . . . . . . . . . 4150 1 582 . 1 1 47 47 THR HG22 H 1 0.863 . . . . . . . . . . . 4150 1 583 . 1 1 47 47 THR HG23 H 1 0.863 . . . . . . . . . . . 4150 1 584 . 1 1 48 48 LYS N N 15 120.299 . . . . . . . . . . . 4150 1 585 . 1 1 48 48 LYS H H 1 8.019 . . . . . . . . . . . 4150 1 586 . 1 1 48 48 LYS CA C 13 58.906 . . . . . . . . . . . 4150 1 587 . 1 1 48 48 LYS HA H 1 3.565 . . . . . . . . . . . 4150 1 588 . 1 1 48 48 LYS CB C 13 72.569 . . . . . . . . . . . 4150 1 589 . 1 1 48 48 LYS HB2 H 1 1.435 . . . . . . . . . . . 4150 1 590 . 1 1 48 48 LYS HB3 H 1 1.676 . . . . . . . . . . . 4150 1 591 . 1 1 48 48 LYS CG C 13 64.221 . . . . . . . . . . . 4150 1 592 . 1 1 48 48 LYS HG3 H 1 1.267 . . . . . . . . . . . 4150 1 593 . 1 1 48 48 LYS HG2 H 1 1.267 . . . . . . . . . . . 4150 1 594 . 1 1 48 48 LYS CD C 13 68.911 . . . . . . . . . . . 4150 1 595 . 1 1 48 48 LYS HD2 H 1 1.549 . . . . . . . . . . . 4150 1 596 . 1 1 48 48 LYS HD3 H 1 1.549 . . . . . . . . . . . 4150 1 597 . 1 1 48 48 LYS CE C 13 81.718 . . . . . . . . . . . 4150 1 598 . 1 1 48 48 LYS HE2 H 1 2.846 . . . . . . . . . . . 4150 1 599 . 1 1 48 48 LYS HE3 H 1 2.846 . . . . . . . . . . . 4150 1 600 . 1 1 49 49 ASP N N 15 112.387 . . . . . . . . . . . 4150 1 601 . 1 1 49 49 ASP H H 1 8.001 . . . . . . . . . . . 4150 1 602 . 1 1 49 49 ASP CA C 13 53.598 . . . . . . . . . . . 4150 1 603 . 1 1 49 49 ASP HA H 1 4.377 . . . . . . . . . . . 4150 1 604 . 1 1 49 49 ASP CB C 13 80.350 . . . . . . . . . . . 4150 1 605 . 1 1 49 49 ASP HB3 H 1 2.570 . . . . . . . . . . . 4150 1 606 . 1 1 49 49 ASP HB2 H 1 2.570 . . . . . . . . . . . 4150 1 607 . 1 1 50 50 ALA N N 15 123.930 . . . . . . . . . . . 4150 1 608 . 1 1 50 50 ALA H H 1 7.286 . . . . . . . . . . . 4150 1 609 . 1 1 50 50 ALA CA C 13 51.786 . . . . . . . . . . . 4150 1 610 . 1 1 50 50 ALA HA H 1 4.278 . . . . . . . . . . . 4150 1 611 . 1 1 50 50 ALA CB C 13 60.754 . . . . . . . . . . . 4150 1 612 . 1 1 50 50 ALA HB1 H 1 1.388 . . . . . . . . . . . 4150 1 613 . 1 1 50 50 ALA HB2 H 1 1.388 . . . . . . . . . . . 4150 1 614 . 1 1 50 50 ALA HB3 H 1 1.388 . . . . . . . . . . . 4150 1 615 . 1 1 51 51 SER CA C 13 58.137 . . . . . . . . . . . 4150 1 616 . 1 1 51 51 SER HA H 1 4.251 . . . . . . . . . . . 4150 1 617 . 1 1 51 51 SER CB C 13 64.121 . . . . . . . . . . . 4150 1 618 . 1 1 51 51 SER HB2 H 1 3.738 . . . . . . . . . . . 4150 1 619 . 1 1 51 51 SER HB3 H 1 3.849 . . . . . . . . . . . 4150 1 620 . 1 1 52 52 THR N N 15 113.180 . . . . . . . . . . . 4150 1 621 . 1 1 52 52 THR H H 1 7.084 . . . . . . . . . . . 4150 1 622 . 1 1 52 52 THR CA C 13 59.989 . . . . . . . . . . . 4150 1 623 . 1 1 52 52 THR HA H 1 4.371 . . . . . . . . . . . 4150 1 624 . 1 1 52 52 THR CB C 13 70.836 . . . . . . . . . . . 4150 1 625 . 1 1 52 52 THR HB H 1 4.024 . . . . . . . . . . . 4150 1 626 . 1 1 52 52 THR CG2 C 13 61.291 . . . . . . . . . . . 4150 1 627 . 1 1 52 52 THR HG21 H 1 1.099 . . . . . . . . . . . 4150 1 628 . 1 1 52 52 THR HG22 H 1 1.099 . . . . . . . . . . . 4150 1 629 . 1 1 52 52 THR HG23 H 1 1.099 . . . . . . . . . . . 4150 1 630 . 1 1 53 53 TRP N N 15 123.104 . . . . . . . . . . . 4150 1 631 . 1 1 53 53 TRP H H 1 8.484 . . . . . . . . . . . 4150 1 632 . 1 1 53 53 TRP CA C 13 57.483 . . . . . . . . . . . 4150 1 633 . 1 1 53 53 TRP HA H 1 4.151 . . . . . . . . . . . 4150 1 634 . 1 1 53 53 TRP CB C 13 70.422 . . . . . . . . . . . 4150 1 635 . 1 1 53 53 TRP HB2 H 1 2.627 . . . . . . . . . . . 4150 1 636 . 1 1 53 53 TRP HB3 H 1 2.824 . . . . . . . . . . . 4150 1 637 . 1 1 53 53 TRP CD1 C 13 88.516 . . . . . . . . . . . 4150 1 638 . 1 1 53 53 TRP HD1 H 1 7.029 . . . . . . . . . . . 4150 1 639 . 1 1 53 53 TRP NE1 N 15 129.249 . . . . . . . . . . . 4150 1 640 . 1 1 53 53 TRP HE1 H 1 9.943 . . . . . . . . . . . 4150 1 641 . 1 1 53 53 TRP CZ2 C 13 73.750 . . . . . . . . . . . 4150 1 642 . 1 1 53 53 TRP HZ2 H 1 7.311 . . . . . . . . . . . 4150 1 643 . 1 1 53 53 TRP CH2 C 13 83.056 . . . . . . . . . . . 4150 1 644 . 1 1 53 53 TRP HH2 H 1 6.677 . . . . . . . . . . . 4150 1 645 . 1 1 53 53 TRP CZ3 C 13 81.989 . . . . . . . . . . . 4150 1 646 . 1 1 53 53 TRP HZ3 H 1 6.729 . . . . . . . . . . . 4150 1 647 . 1 1 53 53 TRP CE3 C 13 80.048 . . . . . . . . . . . 4150 1 648 . 1 1 53 53 TRP HE3 H 1 7.031 . . . . . . . . . . . 4150 1 649 . 1 1 54 54 SER N N 15 119.972 . . . . . . . . . . . 4150 1 650 . 1 1 54 54 SER H H 1 9.243 . . . . . . . . . . . 4150 1 651 . 1 1 54 54 SER CA C 13 58.220 . . . . . . . . . . . 4150 1 652 . 1 1 54 54 SER HA H 1 4.571 . . . . . . . . . . . 4150 1 653 . 1 1 54 54 SER CB C 13 63.267 . . . . . . . . . . . 4150 1 654 . 1 1 54 54 SER HB2 H 1 2.525 . . . . . . . . . . . 4150 1 655 . 1 1 54 54 SER HB3 H 1 3.406 . . . . . . . . . . . 4150 1 656 . 1 1 55 55 GLN N N 15 120.695 . . . . . . . . . . . 4150 1 657 . 1 1 55 55 GLN H H 1 8.757 . . . . . . . . . . . 4150 1 658 . 1 1 55 55 GLN CA C 13 54.764 . . . . . . . . . . . 4150 1 659 . 1 1 55 55 GLN HA H 1 5.155 . . . . . . . . . . . 4150 1 660 . 1 1 55 55 GLN CB C 13 72.791 . . . . . . . . . . . 4150 1 661 . 1 1 55 55 GLN HB2 H 1 1.929 . . . . . . . . . . . 4150 1 662 . 1 1 55 55 GLN HB3 H 1 2.081 . . . . . . . . . . . 4150 1 663 . 1 1 55 55 GLN CG C 13 74.031 . . . . . . . . . . . 4150 1 664 . 1 1 55 55 GLN HG3 H 1 2.093 . . . . . . . . . . . 4150 1 665 . 1 1 55 55 GLN HG2 H 1 2.574 . . . . . . . . . . . 4150 1 666 . 1 1 55 55 GLN NE2 N 15 111.075 . . . . . . . . . . . 4150 1 667 . 1 1 55 55 GLN HE21 H 1 7.467 . . . . . . . . . . . 4150 1 668 . 1 1 55 55 GLN HE22 H 1 6.783 . . . . . . . . . . . 4150 1 669 . 1 1 56 56 ILE N N 15 130.145 . . . . . . . . . . . 4150 1 670 . 1 1 56 56 ILE H H 1 8.497 . . . . . . . . . . . 4150 1 671 . 1 1 56 56 ILE CA C 13 57.395 . . . . . . . . . . . 4150 1 672 . 1 1 56 56 ILE HA H 1 4.594 . . . . . . . . . . . 4150 1 673 . 1 1 56 56 ILE CB C 13 77.344 . . . . . . . . . . . 4150 1 674 . 1 1 56 56 ILE HB H 1 2.191 . . . . . . . . . . . 4150 1 675 . 1 1 56 56 ILE CG1 C 13 67.180 . . . . . . . . . . . 4150 1 676 . 1 1 56 56 ILE HG12 H 1 1.328 . . . . . . . . . . . 4150 1 677 . 1 1 56 56 ILE HG13 H 1 1.629 . . . . . . . . . . . 4150 1 678 . 1 1 56 56 ILE CD1 C 13 51.401 . . . . . . . . . . . 4150 1 679 . 1 1 56 56 ILE HD11 H 1 1.026 . . . . . . . . . . . 4150 1 680 . 1 1 56 56 ILE HD12 H 1 1.026 . . . . . . . . . . . 4150 1 681 . 1 1 56 56 ILE HD13 H 1 1.026 . . . . . . . . . . . 4150 1 682 . 1 1 56 56 ILE CG2 C 13 56.656 . . . . . . . . . . . 4150 1 683 . 1 1 56 56 ILE HG21 H 1 0.934 . . . . . . . . . . . 4150 1 684 . 1 1 56 56 ILE HG22 H 1 0.934 . . . . . . . . . . . 4150 1 685 . 1 1 56 56 ILE HG23 H 1 0.934 . . . . . . . . . . . 4150 1 686 . 1 1 57 57 PRO CA C 13 62.168 . . . . . . . . . . . 4150 1 687 . 1 1 57 57 PRO HA H 1 4.662 . . . . . . . . . . . 4150 1 688 . 1 1 57 57 PRO CB C 13 71.587 . . . . . . . . . . . 4150 1 689 . 1 1 57 57 PRO HB2 H 1 2.098 . . . . . . . . . . . 4150 1 690 . 1 1 57 57 PRO HB3 H 1 2.458 . . . . . . . . . . . 4150 1 691 . 1 1 57 57 PRO CG C 13 67.911 . . . . . . . . . . . 4150 1 692 . 1 1 57 57 PRO HG2 H 1 2.098 . . . . . . . . . . . 4150 1 693 . 1 1 57 57 PRO HG3 H 1 2.345 . . . . . . . . . . . 4150 1 694 . 1 1 57 57 PRO CD C 13 51.310 . . . . . . . . . . . 4150 1 695 . 1 1 57 57 PRO HD2 H 1 3.891 . . . . . . . . . . . 4150 1 696 . 1 1 57 57 PRO HD3 H 1 4.103 . . . . . . . . . . . 4150 1 697 . 1 1 58 58 PRO CA C 13 64.781 . . . . . . . . . . . 4150 1 698 . 1 1 58 58 PRO HA H 1 4.454 . . . . . . . . . . . 4150 1 699 . 1 1 58 58 PRO CB C 13 71.934 . . . . . . . . . . . 4150 1 700 . 1 1 58 58 PRO HB2 H 1 2.073 . . . . . . . . . . . 4150 1 701 . 1 1 58 58 PRO HB3 H 1 2.406 . . . . . . . . . . . 4150 1 702 . 1 1 58 58 PRO CG C 13 67.492 . . . . . . . . . . . 4150 1 703 . 1 1 58 58 PRO HG2 H 1 1.959 . . . . . . . . . . . 4150 1 704 . 1 1 58 58 PRO HG3 H 1 2.177 . . . . . . . . . . . 4150 1 705 . 1 1 58 58 PRO CD C 13 51.736 . . . . . . . . . . . 4150 1 706 . 1 1 58 58 PRO HD2 H 1 3.890 . . . . . . . . . . . 4150 1 707 . 1 1 58 58 PRO HD3 H 1 4.088 . . . . . . . . . . . 4150 1 708 . 1 1 59 59 GLU N N 15 117.541 . . . . . . . . . . . 4150 1 709 . 1 1 59 59 GLU H H 1 9.716 . . . . . . . . . . . 4150 1 710 . 1 1 59 59 GLU CA C 13 58.895 . . . . . . . . . . . 4150 1 711 . 1 1 59 59 GLU HA H 1 4.238 . . . . . . . . . . . 4150 1 712 . 1 1 59 59 GLU CB C 13 68.118 . . . . . . . . . . . 4150 1 713 . 1 1 59 59 GLU HB3 H 1 2.102 . . . . . . . . . . . 4150 1 714 . 1 1 59 59 GLU HB2 H 1 2.102 . . . . . . . . . . . 4150 1 715 . 1 1 59 59 GLU CG C 13 75.884 . . . . . . . . . . . 4150 1 716 . 1 1 59 59 GLU HG2 H 1 2.394 . . . . . . . . . . . 4150 1 717 . 1 1 59 59 GLU HG3 H 1 2.394 . . . . . . . . . . . 4150 1 718 . 1 1 60 60 ASP N N 15 119.812 . . . . . . . . . . . 4150 1 719 . 1 1 60 60 ASP H H 1 8.298 . . . . . . . . . . . 4150 1 720 . 1 1 60 60 ASP CA C 13 55.558 . . . . . . . . . . . 4150 1 721 . 1 1 60 60 ASP HA H 1 4.925 . . . . . . . . . . . 4150 1 722 . 1 1 60 60 ASP CB C 13 81.484 . . . . . . . . . . . 4150 1 723 . 1 1 60 60 ASP HB3 H 1 3.037 . . . . . . . . . . . 4150 1 724 . 1 1 60 60 ASP HB2 H 1 3.037 . . . . . . . . . . . 4150 1 725 . 1 1 61 61 THR N N 15 110.050 . . . . . . . . . . . 4150 1 726 . 1 1 61 61 THR H H 1 7.747 . . . . . . . . . . . 4150 1 727 . 1 1 61 61 THR CA C 13 58.734 . . . . . . . . . . . 4150 1 728 . 1 1 61 61 THR HA H 1 4.884 . . . . . . . . . . . 4150 1 729 . 1 1 61 61 THR CB C 13 68.886 . . . . . . . . . . . 4150 1 730 . 1 1 61 61 THR HB H 1 4.448 . . . . . . . . . . . 4150 1 731 . 1 1 61 61 THR CG2 C 13 61.105 . . . . . . . . . . . 4150 1 732 . 1 1 61 61 THR HG21 H 1 0.547 . . . . . . . . . . . 4150 1 733 . 1 1 61 61 THR HG22 H 1 0.547 . . . . . . . . . . . 4150 1 734 . 1 1 61 61 THR HG23 H 1 0.547 . . . . . . . . . . . 4150 1 735 . 1 1 62 62 ALA N N 15 125.504 . . . . . . . . . . . 4150 1 736 . 1 1 62 62 ALA H H 1 8.248 . . . . . . . . . . . 4150 1 737 . 1 1 62 62 ALA CA C 13 52.596 . . . . . . . . . . . 4150 1 738 . 1 1 62 62 ALA HA H 1 4.920 . . . . . . . . . . . 4150 1 739 . 1 1 62 62 ALA CB C 13 59.013 . . . . . . . . . . . 4150 1 740 . 1 1 62 62 ALA HB1 H 1 1.604 . . . . . . . . . . . 4150 1 741 . 1 1 62 62 ALA HB2 H 1 1.604 . . . . . . . . . . . 4150 1 742 . 1 1 62 62 ALA HB3 H 1 1.604 . . . . . . . . . . . 4150 1 743 . 1 1 63 63 SER N N 15 110.365 . . . . . . . . . . . 4150 1 744 . 1 1 63 63 SER H H 1 7.642 . . . . . . . . . . . 4150 1 745 . 1 1 63 63 SER CA C 13 58.625 . . . . . . . . . . . 4150 1 746 . 1 1 63 63 SER HA H 1 4.862 . . . . . . . . . . . 4150 1 747 . 1 1 63 63 SER CB C 13 64.776 . . . . . . . . . . . 4150 1 748 . 1 1 63 63 SER HB2 H 1 3.940 . . . . . . . . . . . 4150 1 749 . 1 1 63 63 SER HB3 H 1 4.048 . . . . . . . . . . . 4150 1 750 . 1 1 64 64 THR N N 15 115.550 . . . . . . . . . . . 4150 1 751 . 1 1 64 64 THR H H 1 7.167 . . . . . . . . . . . 4150 1 752 . 1 1 64 64 THR CA C 13 64.628 . . . . . . . . . . . 4150 1 753 . 1 1 64 64 THR HA H 1 4.612 . . . . . . . . . . . 4150 1 754 . 1 1 64 64 THR CB C 13 69.950 . . . . . . . . . . . 4150 1 755 . 1 1 64 64 THR HB H 1 4.139 . . . . . . . . . . . 4150 1 756 . 1 1 64 64 THR CG2 C 13 62.587 . . . . . . . . . . . 4150 1 757 . 1 1 64 64 THR HG21 H 1 1.383 . . . . . . . . . . . 4150 1 758 . 1 1 64 64 THR HG22 H 1 1.383 . . . . . . . . . . . 4150 1 759 . 1 1 64 64 THR HG23 H 1 1.383 . . . . . . . . . . . 4150 1 760 . 1 1 65 65 ARG N N 15 123.106 . . . . . . . . . . . 4150 1 761 . 1 1 65 65 ARG H H 1 9.026 . . . . . . . . . . . 4150 1 762 . 1 1 65 65 ARG CA C 13 55.428 . . . . . . . . . . . 4150 1 763 . 1 1 65 65 ARG HA H 1 4.779 . . . . . . . . . . . 4150 1 764 . 1 1 65 65 ARG CB C 13 71.861 . . . . . . . . . . . 4150 1 765 . 1 1 65 65 ARG HB3 H 1 2.110 . . . . . . . . . . . 4150 1 766 . 1 1 65 65 ARG HB2 H 1 2.451 . . . . . . . . . . . 4150 1 767 . 1 1 65 65 ARG CG C 13 65.019 . . . . . . . . . . . 4150 1 768 . 1 1 65 65 ARG HG3 H 1 1.748 . . . . . . . . . . . 4150 1 769 . 1 1 65 65 ARG HG2 H 1 2.096 . . . . . . . . . . . 4150 1 770 . 1 1 65 65 ARG CD C 13 83.958 . . . . . . . . . . . 4150 1 771 . 1 1 65 65 ARG HD3 H 1 3.493 . . . . . . . . . . . 4150 1 772 . 1 1 65 65 ARG HD2 H 1 3.651 . . . . . . . . . . . 4150 1 773 . 1 1 66 66 SER CA C 13 56.525 . . . . . . . . . . . 4150 1 774 . 1 1 66 66 SER HA H 1 3.186 . . . . . . . . . . . 4150 1 775 . 1 1 66 66 SER CB C 13 63.958 . . . . . . . . . . . 4150 1 776 . 1 1 66 66 SER HB2 H 1 3.543 . . . . . . . . . . . 4150 1 777 . 1 1 66 66 SER HB3 H 1 3.718 . . . . . . . . . . . 4150 1 778 . 1 1 67 67 SER N N 15 111.416 . . . . . . . . . . . 4150 1 779 . 1 1 67 67 SER H H 1 6.586 . . . . . . . . . . . 4150 1 780 . 1 1 67 67 SER CA C 13 56.396 . . . . . . . . . . . 4150 1 781 . 1 1 67 67 SER HA H 1 4.771 . . . . . . . . . . . 4150 1 782 . 1 1 67 67 SER CB C 13 66.120 . . . . . . . . . . . 4150 1 783 . 1 1 67 67 SER HB3 H 1 3.592 . . . . . . . . . . . 4150 1 784 . 1 1 67 67 SER HB2 H 1 3.592 . . . . . . . . . . . 4150 1 785 . 1 1 68 68 PHE N N 15 120.532 . . . . . . . . . . . 4150 1 786 . 1 1 68 68 PHE H H 1 8.906 . . . . . . . . . . . 4150 1 787 . 1 1 68 68 PHE CA C 13 59.764 . . . . . . . . . . . 4150 1 788 . 1 1 68 68 PHE HA H 1 4.429 . . . . . . . . . . . 4150 1 789 . 1 1 68 68 PHE CB C 13 83.863 . . . . . . . . . . . 4150 1 790 . 1 1 68 68 PHE HB2 H 1 2.735 . . . . . . . . . . . 4150 1 791 . 1 1 68 68 PHE HB3 H 1 3.261 . . . . . . . . . . . 4150 1 792 . 1 1 68 68 PHE CD1 C 13 51.176 . . . . . . . . . . . 4150 1 793 . 1 1 68 68 PHE HD1 H 1 7.019 . . . . . . . . . . . 4150 1 794 . 1 1 68 68 PHE CE1 C 13 52.518 . . . . . . . . . . . 4150 1 795 . 1 1 68 68 PHE HE1 H 1 7.401 . . . . . . . . . . . 4150 1 796 . 1 1 68 68 PHE CZ C 13 50.820 . . . . . . . . . . . 4150 1 797 . 1 1 68 68 PHE HZ H 1 7.452 . . . . . . . . . . . 4150 1 798 . 1 1 68 68 PHE CE2 C 13 52.518 . . . . . . . . . . . 4150 1 799 . 1 1 68 68 PHE HE2 H 1 7.401 . . . . . . . . . . . 4150 1 800 . 1 1 68 68 PHE CD2 C 13 51.176 . . . . . . . . . . . 4150 1 801 . 1 1 68 68 PHE HD2 H 1 7.019 . . . . . . . . . . . 4150 1 802 . 1 1 69 69 THR N N 15 125.252 . . . . . . . . . . . 4150 1 803 . 1 1 69 69 THR H H 1 7.879 . . . . . . . . . . . 4150 1 804 . 1 1 69 69 THR CA C 13 62.804 . . . . . . . . . . . 4150 1 805 . 1 1 69 69 THR HA H 1 4.477 . . . . . . . . . . . 4150 1 806 . 1 1 69 69 THR CB C 13 68.842 . . . . . . . . . . . 4150 1 807 . 1 1 69 69 THR HB H 1 3.691 . . . . . . . . . . . 4150 1 808 . 1 1 69 69 THR CG2 C 13 62.160 . . . . . . . . . . . 4150 1 809 . 1 1 69 69 THR HG21 H 1 0.887 . . . . . . . . . . . 4150 1 810 . 1 1 69 69 THR HG22 H 1 0.887 . . . . . . . . . . . 4150 1 811 . 1 1 69 69 THR HG23 H 1 0.887 . . . . . . . . . . . 4150 1 812 . 1 1 70 70 VAL N N 15 129.748 . . . . . . . . . . . 4150 1 813 . 1 1 70 70 VAL H H 1 9.017 . . . . . . . . . . . 4150 1 814 . 1 1 70 70 VAL CA C 13 62.508 . . . . . . . . . . . 4150 1 815 . 1 1 70 70 VAL HA H 1 4.010 . . . . . . . . . . . 4150 1 816 . 1 1 70 70 VAL CB C 13 71.923 . . . . . . . . . . . 4150 1 817 . 1 1 70 70 VAL HB H 1 1.910 . . . . . . . . . . . 4150 1 818 . 1 1 70 70 VAL CG2 C 13 62.023 . . . . . . . . . . . 4150 1 819 . 1 1 70 70 VAL HG21 H 1 0.688 . . . . . . . . . . . 4150 1 820 . 1 1 70 70 VAL HG22 H 1 0.688 . . . . . . . . . . . 4150 1 821 . 1 1 70 70 VAL HG23 H 1 0.688 . . . . . . . . . . . 4150 1 822 . 1 1 70 70 VAL CG1 C 13 61.665 . . . . . . . . . . . 4150 1 823 . 1 1 70 70 VAL HG11 H 1 0.982 . . . . . . . . . . . 4150 1 824 . 1 1 70 70 VAL HG12 H 1 0.982 . . . . . . . . . . . 4150 1 825 . 1 1 70 70 VAL HG13 H 1 0.982 . . . . . . . . . . . 4150 1 826 . 1 1 71 71 GLN N N 15 122.652 . . . . . . . . . . . 4150 1 827 . 1 1 71 71 GLN H H 1 8.240 . . . . . . . . . . . 4150 1 828 . 1 1 71 71 GLN CA C 13 54.139 . . . . . . . . . . . 4150 1 829 . 1 1 71 71 GLN HA H 1 4.859 . . . . . . . . . . . 4150 1 830 . 1 1 71 71 GLN CB C 13 71.688 . . . . . . . . . . . 4150 1 831 . 1 1 71 71 GLN HB2 H 1 1.873 . . . . . . . . . . . 4150 1 832 . 1 1 71 71 GLN HB3 H 1 2.067 . . . . . . . . . . . 4150 1 833 . 1 1 71 71 GLN CG C 13 73.795 . . . . . . . . . . . 4150 1 834 . 1 1 71 71 GLN HG3 H 1 2.089 . . . . . . . . . . . 4150 1 835 . 1 1 71 71 GLN HG2 H 1 2.193 . . . . . . . . . . . 4150 1 836 . 1 1 71 71 GLN NE2 N 15 111.714 . . . . . . . . . . . 4150 1 837 . 1 1 71 71 GLN HE21 H 1 7.443 . . . . . . . . . . . 4150 1 838 . 1 1 71 71 GLN HE22 H 1 6.759 . . . . . . . . . . . 4150 1 839 . 1 1 72 72 ASP N N 15 113.438 . . . . . . . . . . . 4150 1 840 . 1 1 72 72 ASP H H 1 8.609 . . . . . . . . . . . 4150 1 841 . 1 1 72 72 ASP CA C 13 55.607 . . . . . . . . . . . 4150 1 842 . 1 1 72 72 ASP HA H 1 4.287 . . . . . . . . . . . 4150 1 843 . 1 1 72 72 ASP CB C 13 78.985 . . . . . . . . . . . 4150 1 844 . 1 1 72 72 ASP HB2 H 1 2.716 . . . . . . . . . . . 4150 1 845 . 1 1 72 72 ASP HB3 H 1 2.984 . . . . . . . . . . . 4150 1 846 . 1 1 73 73 LEU N N 15 118.251 . . . . . . . . . . . 4150 1 847 . 1 1 73 73 LEU H H 1 8.705 . . . . . . . . . . . 4150 1 848 . 1 1 73 73 LEU CA C 13 53.559 . . . . . . . . . . . 4150 1 849 . 1 1 73 73 LEU HA H 1 4.336 . . . . . . . . . . . 4150 1 850 . 1 1 73 73 LEU CB C 13 81.210 . . . . . . . . . . . 4150 1 851 . 1 1 73 73 LEU HB2 H 1 1.148 . . . . . . . . . . . 4150 1 852 . 1 1 73 73 LEU HB3 H 1 1.237 . . . . . . . . . . . 4150 1 853 . 1 1 73 73 LEU CG C 13 65.413 . . . . . . . . . . . 4150 1 854 . 1 1 73 73 LEU HG H 1 1.096 . . . . . . . . . . . 4150 1 855 . 1 1 73 73 LEU CD1 C 13 65.283 . . . . . . . . . . . 4150 1 856 . 1 1 73 73 LEU HD11 H 1 0.047 . . . . . . . . . . . 4150 1 857 . 1 1 73 73 LEU HD12 H 1 0.047 . . . . . . . . . . . 4150 1 858 . 1 1 73 73 LEU HD13 H 1 0.047 . . . . . . . . . . . 4150 1 859 . 1 1 73 73 LEU CD2 C 13 59.539 . . . . . . . . . . . 4150 1 860 . 1 1 73 73 LEU HD21 H 1 -0.030 . . . . . . . . . . . 4150 1 861 . 1 1 73 73 LEU HD22 H 1 -0.030 . . . . . . . . . . . 4150 1 862 . 1 1 73 73 LEU HD23 H 1 -0.030 . . . . . . . . . . . 4150 1 863 . 1 1 74 74 LYS N N 15 120.587 . . . . . . . . . . . 4150 1 864 . 1 1 74 74 LYS H H 1 8.417 . . . . . . . . . . . 4150 1 865 . 1 1 74 74 LYS CA C 13 54.023 . . . . . . . . . . . 4150 1 866 . 1 1 74 74 LYS HA H 1 4.560 . . . . . . . . . . . 4150 1 867 . 1 1 74 74 LYS CB C 13 72.779 . . . . . . . . . . . 4150 1 868 . 1 1 74 74 LYS HB3 H 1 1.876 . . . . . . . . . . . 4150 1 869 . 1 1 74 74 LYS HB2 H 1 1.876 . . . . . . . . . . . 4150 1 870 . 1 1 74 74 LYS CG C 13 64.626 . . . . . . . . . . . 4150 1 871 . 1 1 74 74 LYS HG2 H 1 1.573 . . . . . . . . . . . 4150 1 872 . 1 1 74 74 LYS HG3 H 1 1.643 . . . . . . . . . . . 4150 1 873 . 1 1 74 74 LYS CD C 13 68.731 . . . . . . . . . . . 4150 1 874 . 1 1 74 74 LYS HD2 H 1 1.720 . . . . . . . . . . . 4150 1 875 . 1 1 74 74 LYS HD3 H 1 1.720 . . . . . . . . . . . 4150 1 876 . 1 1 74 74 LYS CE C 13 81.621 . . . . . . . . . . . 4150 1 877 . 1 1 74 74 LYS HE2 H 1 3.035 . . . . . . . . . . . 4150 1 878 . 1 1 74 74 LYS HE3 H 1 3.035 . . . . . . . . . . . 4150 1 879 . 1 1 75 75 PRO CA C 13 62.932 . . . . . . . . . . . 4150 1 880 . 1 1 75 75 PRO HA H 1 4.838 . . . . . . . . . . . 4150 1 881 . 1 1 75 75 PRO CB C 13 73.269 . . . . . . . . . . . 4150 1 882 . 1 1 75 75 PRO HB2 H 1 1.917 . . . . . . . . . . . 4150 1 883 . 1 1 75 75 PRO HB3 H 1 2.346 . . . . . . . . . . . 4150 1 884 . 1 1 75 75 PRO CG C 13 67.278 . . . . . . . . . . . 4150 1 885 . 1 1 75 75 PRO HG2 H 1 2.014 . . . . . . . . . . . 4150 1 886 . 1 1 75 75 PRO HG3 H 1 2.052 . . . . . . . . . . . 4150 1 887 . 1 1 75 75 PRO CD C 13 51.014 . . . . . . . . . . . 4150 1 888 . 1 1 75 75 PRO HD2 H 1 3.634 . . . . . . . . . . . 4150 1 889 . 1 1 75 75 PRO HD3 H 1 3.927 . . . . . . . . . . . 4150 1 890 . 1 1 76 76 PHE N N 15 127.705 . . . . . . . . . . . 4150 1 891 . 1 1 76 76 PHE H H 1 7.951 . . . . . . . . . . . 4150 1 892 . 1 1 76 76 PHE CA C 13 56.901 . . . . . . . . . . . 4150 1 893 . 1 1 76 76 PHE HA H 1 4.472 . . . . . . . . . . . 4150 1 894 . 1 1 76 76 PHE CB C 13 78.598 . . . . . . . . . . . 4150 1 895 . 1 1 76 76 PHE HB2 H 1 2.680 . . . . . . . . . . . 4150 1 896 . 1 1 76 76 PHE HB3 H 1 3.454 . . . . . . . . . . . 4150 1 897 . 1 1 76 76 PHE CD1 C 13 51.435 . . . . . . . . . . . 4150 1 898 . 1 1 76 76 PHE HD1 H 1 7.259 . . . . . . . . . . . 4150 1 899 . 1 1 76 76 PHE CE1 C 13 51.495 . . . . . . . . . . . 4150 1 900 . 1 1 76 76 PHE HE1 H 1 7.332 . . . . . . . . . . . 4150 1 901 . 1 1 76 76 PHE CE2 C 13 51.495 . . . . . . . . . . . 4150 1 902 . 1 1 76 76 PHE HE2 H 1 7.332 . . . . . . . . . . . 4150 1 903 . 1 1 76 76 PHE CD2 C 13 51.435 . . . . . . . . . . . 4150 1 904 . 1 1 76 76 PHE HD2 H 1 7.259 . . . . . . . . . . . 4150 1 905 . 1 1 77 77 THR N N 15 116.052 . . . . . . . . . . . 4150 1 906 . 1 1 77 77 THR H H 1 8.585 . . . . . . . . . . . 4150 1 907 . 1 1 77 77 THR CA C 13 62.687 . . . . . . . . . . . 4150 1 908 . 1 1 77 77 THR HA H 1 4.343 . . . . . . . . . . . 4150 1 909 . 1 1 77 77 THR CB C 13 72.120 . . . . . . . . . . . 4150 1 910 . 1 1 77 77 THR HB H 1 3.848 . . . . . . . . . . . 4150 1 911 . 1 1 77 77 THR CG2 C 13 60.283 . . . . . . . . . . . 4150 1 912 . 1 1 77 77 THR HG21 H 1 0.672 . . . . . . . . . . . 4150 1 913 . 1 1 77 77 THR HG22 H 1 0.672 . . . . . . . . . . . 4150 1 914 . 1 1 77 77 THR HG23 H 1 0.672 . . . . . . . . . . . 4150 1 915 . 1 1 78 78 GLU N N 15 126.730 . . . . . . . . . . . 4150 1 916 . 1 1 78 78 GLU H H 1 8.431 . . . . . . . . . . . 4150 1 917 . 1 1 78 78 GLU CA C 13 55.575 . . . . . . . . . . . 4150 1 918 . 1 1 78 78 GLU HA H 1 4.841 . . . . . . . . . . . 4150 1 919 . 1 1 78 78 GLU CB C 13 70.604 . . . . . . . . . . . 4150 1 920 . 1 1 78 78 GLU HB2 H 1 1.733 . . . . . . . . . . . 4150 1 921 . 1 1 78 78 GLU HB3 H 1 1.901 . . . . . . . . . . . 4150 1 922 . 1 1 78 78 GLU CG C 13 76.122 . . . . . . . . . . . 4150 1 923 . 1 1 78 78 GLU HG2 H 1 1.928 . . . . . . . . . . . 4150 1 924 . 1 1 78 78 GLU HG3 H 1 2.196 . . . . . . . . . . . 4150 1 925 . 1 1 79 79 TYR N N 15 125.311 . . . . . . . . . . . 4150 1 926 . 1 1 79 79 TYR H H 1 9.177 . . . . . . . . . . . 4150 1 927 . 1 1 79 79 TYR CA C 13 57.679 . . . . . . . . . . . 4150 1 928 . 1 1 79 79 TYR HA H 1 4.929 . . . . . . . . . . . 4150 1 929 . 1 1 79 79 TYR CB C 13 84.777 . . . . . . . . . . . 4150 1 930 . 1 1 79 79 TYR HB3 H 1 2.461 . . . . . . . . . . . 4150 1 931 . 1 1 79 79 TYR HB2 H 1 2.461 . . . . . . . . . . . 4150 1 932 . 1 1 79 79 TYR CD1 C 13 53.196 . . . . . . . . . . . 4150 1 933 . 1 1 79 79 TYR HD1 H 1 6.880 . . . . . . . . . . . 4150 1 934 . 1 1 79 79 TYR CE1 C 13 78.958 . . . . . . . . . . . 4150 1 935 . 1 1 79 79 TYR HE1 H 1 6.885 . . . . . . . . . . . 4150 1 936 . 1 1 79 79 TYR CE2 C 13 78.958 . . . . . . . . . . . 4150 1 937 . 1 1 79 79 TYR HE2 H 1 6.885 . . . . . . . . . . . 4150 1 938 . 1 1 79 79 TYR CD2 C 13 53.196 . . . . . . . . . . . 4150 1 939 . 1 1 79 79 TYR HD2 H 1 6.880 . . . . . . . . . . . 4150 1 940 . 1 1 80 80 VAL N N 15 119.188 . . . . . . . . . . . 4150 1 941 . 1 1 80 80 VAL H H 1 9.000 . . . . . . . . . . . 4150 1 942 . 1 1 80 80 VAL CA C 13 60.450 . . . . . . . . . . . 4150 1 943 . 1 1 80 80 VAL HA H 1 4.816 . . . . . . . . . . . 4150 1 944 . 1 1 80 80 VAL CB C 13 74.252 . . . . . . . . . . . 4150 1 945 . 1 1 80 80 VAL HB H 1 1.514 . . . . . . . . . . . 4150 1 946 . 1 1 80 80 VAL CG2 C 13 60.762 . . . . . . . . . . . 4150 1 947 . 1 1 80 80 VAL HG21 H 1 0.721 . . . . . . . . . . . 4150 1 948 . 1 1 80 80 VAL HG22 H 1 0.721 . . . . . . . . . . . 4150 1 949 . 1 1 80 80 VAL HG23 H 1 0.721 . . . . . . . . . . . 4150 1 950 . 1 1 80 80 VAL CG1 C 13 62.226 . . . . . . . . . . . 4150 1 951 . 1 1 80 80 VAL HG11 H 1 1.018 . . . . . . . . . . . 4150 1 952 . 1 1 80 80 VAL HG12 H 1 1.018 . . . . . . . . . . . 4150 1 953 . 1 1 80 80 VAL HG13 H 1 1.018 . . . . . . . . . . . 4150 1 954 . 1 1 81 81 PHE N N 15 120.865 . . . . . . . . . . . 4150 1 955 . 1 1 81 81 PHE H H 1 9.335 . . . . . . . . . . . 4150 1 956 . 1 1 81 81 PHE CA C 13 56.947 . . . . . . . . . . . 4150 1 957 . 1 1 81 81 PHE HA H 1 5.843 . . . . . . . . . . . 4150 1 958 . 1 1 81 81 PHE CB C 13 85.297 . . . . . . . . . . . 4150 1 959 . 1 1 81 81 PHE HB2 H 1 2.768 . . . . . . . . . . . 4150 1 960 . 1 1 81 81 PHE HB3 H 1 2.937 . . . . . . . . . . . 4150 1 961 . 1 1 81 81 PHE CD1 C 13 53.180 . . . . . . . . . . . 4150 1 962 . 1 1 81 81 PHE HD1 H 1 7.235 . . . . . . . . . . . 4150 1 963 . 1 1 81 81 PHE CE1 C 13 51.321 . . . . . . . . . . . 4150 1 964 . 1 1 81 81 PHE HE1 H 1 6.937 . . . . . . . . . . . 4150 1 965 . 1 1 81 81 PHE CZ C 13 87.866 . . . . . . . . . . . 4150 1 966 . 1 1 81 81 PHE HZ H 1 6.619 . . . . . . . . . . . 4150 1 967 . 1 1 81 81 PHE CE2 C 13 51.321 . . . . . . . . . . . 4150 1 968 . 1 1 81 81 PHE HE2 H 1 6.937 . . . . . . . . . . . 4150 1 969 . 1 1 81 81 PHE CD2 C 13 53.180 . . . . . . . . . . . 4150 1 970 . 1 1 81 81 PHE HD2 H 1 7.235 . . . . . . . . . . . 4150 1 971 . 1 1 82 82 ARG N N 15 112.084 . . . . . . . . . . . 4150 1 972 . 1 1 82 82 ARG H H 1 8.678 . . . . . . . . . . . 4150 1 973 . 1 1 82 82 ARG CA C 13 55.708 . . . . . . . . . . . 4150 1 974 . 1 1 82 82 ARG HA H 1 4.463 . . . . . . . . . . . 4150 1 975 . 1 1 82 82 ARG CB C 13 72.623 . . . . . . . . . . . 4150 1 976 . 1 1 82 82 ARG HB2 H 1 1.527 . . . . . . . . . . . 4150 1 977 . 1 1 82 82 ARG HB3 H 1 1.527 . . . . . . . . . . . 4150 1 978 . 1 1 82 82 ARG CG C 13 63.941 . . . . . . . . . . . 4150 1 979 . 1 1 82 82 ARG HG3 H 1 0.943 . . . . . . . . . . . 4150 1 980 . 1 1 82 82 ARG HG2 H 1 1.047 . . . . . . . . . . . 4150 1 981 . 1 1 82 82 ARG CD C 13 81.772 . . . . . . . . . . . 4150 1 982 . 1 1 82 82 ARG HD3 H 1 2.668 . . . . . . . . . . . 4150 1 983 . 1 1 82 82 ARG HD2 H 1 2.777 . . . . . . . . . . . 4150 1 984 . 1 1 83 83 ILE N N 15 117.631 . . . . . . . . . . . 4150 1 985 . 1 1 83 83 ILE H H 1 8.910 . . . . . . . . . . . 4150 1 986 . 1 1 83 83 ILE CA C 13 59.388 . . . . . . . . . . . 4150 1 987 . 1 1 83 83 ILE HA H 1 5.722 . . . . . . . . . . . 4150 1 988 . 1 1 83 83 ILE CB C 13 83.177 . . . . . . . . . . . 4150 1 989 . 1 1 83 83 ILE HB H 1 1.222 . . . . . . . . . . . 4150 1 990 . 1 1 83 83 ILE CG1 C 13 68.118 . . . . . . . . . . . 4150 1 991 . 1 1 83 83 ILE HG12 H 1 0.643 . . . . . . . . . . . 4150 1 992 . 1 1 83 83 ILE HG13 H 1 1.410 . . . . . . . . . . . 4150 1 993 . 1 1 83 83 ILE CD1 C 13 52.871 . . . . . . . . . . . 4150 1 994 . 1 1 83 83 ILE HD11 H 1 -0.808 . . . . . . . . . . . 4150 1 995 . 1 1 83 83 ILE HD12 H 1 -0.808 . . . . . . . . . . . 4150 1 996 . 1 1 83 83 ILE HD13 H 1 -0.808 . . . . . . . . . . . 4150 1 997 . 1 1 83 83 ILE CG2 C 13 55.544 . . . . . . . . . . . 4150 1 998 . 1 1 83 83 ILE HG21 H 1 0.544 . . . . . . . . . . . 4150 1 999 . 1 1 83 83 ILE HG22 H 1 0.544 . . . . . . . . . . . 4150 1 1000 . 1 1 83 83 ILE HG23 H 1 0.544 . . . . . . . . . . . 4150 1 1001 . 1 1 84 84 ARG N N 15 121.965 . . . . . . . . . . . 4150 1 1002 . 1 1 84 84 ARG H H 1 8.457 . . . . . . . . . . . 4150 1 1003 . 1 1 84 84 ARG CA C 13 54.165 . . . . . . . . . . . 4150 1 1004 . 1 1 84 84 ARG HA H 1 4.698 . . . . . . . . . . . 4150 1 1005 . 1 1 84 84 ARG CB C 13 72.626 . . . . . . . . . . . 4150 1 1006 . 1 1 84 84 ARG HB2 H 1 1.609 . . . . . . . . . . . 4150 1 1007 . 1 1 84 84 ARG HB3 H 1 1.609 . . . . . . . . . . . 4150 1 1008 . 1 1 85 85 CYS N N 15 114.998 . . . . . . . . . . . 4150 1 1009 . 1 1 85 85 CYS H H 1 9.243 . . . . . . . . . . . 4150 1 1010 . 1 1 85 85 CYS CA C 13 55.115 . . . . . . . . . . . 4150 1 1011 . 1 1 85 85 CYS HA H 1 6.207 . . . . . . . . . . . 4150 1 1012 . 1 1 85 85 CYS CB C 13 73.920 . . . . . . . . . . . 4150 1 1013 . 1 1 85 85 CYS HB2 H 1 2.598 . . . . . . . . . . . 4150 1 1014 . 1 1 85 85 CYS HB3 H 1 2.598 . . . . . . . . . . . 4150 1 1015 . 1 1 86 86 MET N N 15 118.334 . . . . . . . . . . . 4150 1 1016 . 1 1 86 86 MET H H 1 8.363 . . . . . . . . . . . 4150 1 1017 . 1 1 86 86 MET CA C 13 54.230 . . . . . . . . . . . 4150 1 1018 . 1 1 86 86 MET HA H 1 4.225 . . . . . . . . . . . 4150 1 1019 . 1 1 86 86 MET CB C 13 75.809 . . . . . . . . . . . 4150 1 1020 . 1 1 86 86 MET HB2 H 1 0.561 . . . . . . . . . . . 4150 1 1021 . 1 1 86 86 MET HB3 H 1 0.677 . . . . . . . . . . . 4150 1 1022 . 1 1 86 86 MET CG C 13 68.897 . . . . . . . . . . . 4150 1 1023 . 1 1 86 86 MET HG3 H 1 1.012 . . . . . . . . . . . 4150 1 1024 . 1 1 86 86 MET HG2 H 1 1.333 . . . . . . . . . . . 4150 1 1025 . 1 1 86 86 MET CE C 13 56.195 . . . . . . . . . . . 4150 1 1026 . 1 1 86 86 MET HE1 H 1 1.127 . . . . . . . . . . . 4150 1 1027 . 1 1 86 86 MET HE2 H 1 1.127 . . . . . . . . . . . 4150 1 1028 . 1 1 86 86 MET HE3 H 1 1.127 . . . . . . . . . . . 4150 1 1029 . 1 1 87 87 LYS N N 15 121.822 . . . . . . . . . . . 4150 1 1030 . 1 1 87 87 LYS H H 1 8.861 . . . . . . . . . . . 4150 1 1031 . 1 1 87 87 LYS CA C 13 56.742 . . . . . . . . . . . 4150 1 1032 . 1 1 87 87 LYS HA H 1 4.283 . . . . . . . . . . . 4150 1 1033 . 1 1 87 87 LYS CB C 13 73.160 . . . . . . . . . . . 4150 1 1034 . 1 1 87 87 LYS HB3 H 1 1.597 . . . . . . . . . . . 4150 1 1035 . 1 1 87 87 LYS HB2 H 1 1.597 . . . . . . . . . . . 4150 1 1036 . 1 1 87 87 LYS CG C 13 65.215 . . . . . . . . . . . 4150 1 1037 . 1 1 87 87 LYS HG2 H 1 1.291 . . . . . . . . . . . 4150 1 1038 . 1 1 87 87 LYS HG3 H 1 1.350 . . . . . . . . . . . 4150 1 1039 . 1 1 87 87 LYS CD C 13 69.324 . . . . . . . . . . . 4150 1 1040 . 1 1 87 87 LYS HD2 H 1 1.695 . . . . . . . . . . . 4150 1 1041 . 1 1 87 87 LYS HD3 H 1 1.695 . . . . . . . . . . . 4150 1 1042 . 1 1 87 87 LYS CE C 13 81.207 . . . . . . . . . . . 4150 1 1043 . 1 1 87 87 LYS HE2 H 1 2.897 . . . . . . . . . . . 4150 1 1044 . 1 1 87 87 LYS HE3 H 1 2.897 . . . . . . . . . . . 4150 1 1045 . 1 1 88 88 GLU N N 15 124.153 . . . . . . . . . . . 4150 1 1046 . 1 1 88 88 GLU H H 1 8.564 . . . . . . . . . . . 4150 1 1047 . 1 1 88 88 GLU CA C 13 56.980 . . . . . . . . . . . 4150 1 1048 . 1 1 88 88 GLU HA H 1 4.035 . . . . . . . . . . . 4150 1 1049 . 1 1 88 88 GLU CB C 13 68.620 . . . . . . . . . . . 4150 1 1050 . 1 1 88 88 GLU HB2 H 1 1.676 . . . . . . . . . . . 4150 1 1051 . 1 1 88 88 GLU HB3 H 1 2.021 . . . . . . . . . . . 4150 1 1052 . 1 1 88 88 GLU CG C 13 75.715 . . . . . . . . . . . 4150 1 1053 . 1 1 88 88 GLU HG2 H 1 2.165 . . . . . . . . . . . 4150 1 1054 . 1 1 88 88 GLU HG3 H 1 2.165 . . . . . . . . . . . 4150 1 1055 . 1 1 89 89 ASP N N 15 119.627 . . . . . . . . . . . 4150 1 1056 . 1 1 89 89 ASP H H 1 7.939 . . . . . . . . . . . 4150 1 1057 . 1 1 89 89 ASP CA C 13 52.973 . . . . . . . . . . . 4150 1 1058 . 1 1 89 89 ASP HA H 1 4.492 . . . . . . . . . . . 4150 1 1059 . 1 1 89 89 ASP CB C 13 80.379 . . . . . . . . . . . 4150 1 1060 . 1 1 89 89 ASP HB2 H 1 2.430 . . . . . . . . . . . 4150 1 1061 . 1 1 89 89 ASP HB3 H 1 2.947 . . . . . . . . . . . 4150 1 1062 . 1 1 90 90 GLY N N 15 108.085 . . . . . . . . . . . 4150 1 1063 . 1 1 90 90 GLY H H 1 8.161 . . . . . . . . . . . 4150 1 1064 . 1 1 90 90 GLY CA C 13 85.188 . . . . . . . . . . . 4150 1 1065 . 1 1 90 90 GLY HA2 H 1 3.666 . . . . . . . . . . . 4150 1 1066 . 1 1 90 90 GLY HA3 H 1 4.028 . . . . . . . . . . . 4150 1 1067 . 1 1 91 91 LYS N N 15 120.483 . . . . . . . . . . . 4150 1 1068 . 1 1 91 91 LYS H H 1 8.193 . . . . . . . . . . . 4150 1 1069 . 1 1 91 91 LYS CA C 13 56.300 . . . . . . . . . . . 4150 1 1070 . 1 1 91 91 LYS HA H 1 4.135 . . . . . . . . . . . 4150 1 1071 . 1 1 91 91 LYS CB C 13 71.541 . . . . . . . . . . . 4150 1 1072 . 1 1 91 91 LYS HB2 H 1 1.447 . . . . . . . . . . . 4150 1 1073 . 1 1 91 91 LYS HB3 H 1 1.692 . . . . . . . . . . . 4150 1 1074 . 1 1 91 91 LYS CG C 13 64.841 . . . . . . . . . . . 4150 1 1075 . 1 1 91 91 LYS HG2 H 1 1.170 . . . . . . . . . . . 4150 1 1076 . 1 1 91 91 LYS HG3 H 1 1.238 . . . . . . . . . . . 4150 1 1077 . 1 1 91 91 LYS CD C 13 68.292 . . . . . . . . . . . 4150 1 1078 . 1 1 91 91 LYS HD2 H 1 1.563 . . . . . . . . . . . 4150 1 1079 . 1 1 91 91 LYS HD3 H 1 1.563 . . . . . . . . . . . 4150 1 1080 . 1 1 91 91 LYS CE C 13 81.728 . . . . . . . . . . . 4150 1 1081 . 1 1 91 91 LYS HE2 H 1 2.911 . . . . . . . . . . . 4150 1 1082 . 1 1 91 91 LYS HE3 H 1 2.911 . . . . . . . . . . . 4150 1 1083 . 1 1 92 92 GLY N N 15 108.160 . . . . . . . . . . . 4150 1 1084 . 1 1 92 92 GLY H H 1 8.215 . . . . . . . . . . . 4150 1 1085 . 1 1 92 92 GLY CA C 13 85.492 . . . . . . . . . . . 4150 1 1086 . 1 1 92 92 GLY HA2 H 1 3.642 . . . . . . . . . . . 4150 1 1087 . 1 1 92 92 GLY HA3 H 1 3.780 . . . . . . . . . . . 4150 1 1088 . 1 1 93 93 TYR N N 15 119.041 . . . . . . . . . . . 4150 1 1089 . 1 1 93 93 TYR H H 1 8.027 . . . . . . . . . . . 4150 1 1090 . 1 1 93 93 TYR CA C 13 55.841 . . . . . . . . . . . 4150 1 1091 . 1 1 93 93 TYR HA H 1 4.715 . . . . . . . . . . . 4150 1 1092 . 1 1 93 93 TYR CB C 13 79.161 . . . . . . . . . . . 4150 1 1093 . 1 1 93 93 TYR HB2 H 1 2.644 . . . . . . . . . . . 4150 1 1094 . 1 1 93 93 TYR HB3 H 1 3.026 . . . . . . . . . . . 4150 1 1095 . 1 1 93 93 TYR CD1 C 13 52.894 . . . . . . . . . . . 4150 1 1096 . 1 1 93 93 TYR HD1 H 1 7.030 . . . . . . . . . . . 4150 1 1097 . 1 1 93 93 TYR CE1 C 13 78.257 . . . . . . . . . . . 4150 1 1098 . 1 1 93 93 TYR HE1 H 1 6.783 . . . . . . . . . . . 4150 1 1099 . 1 1 93 93 TYR CE2 C 13 78.257 . . . . . . . . . . . 4150 1 1100 . 1 1 93 93 TYR HE2 H 1 6.783 . . . . . . . . . . . 4150 1 1101 . 1 1 93 93 TYR CD2 C 13 52.894 . . . . . . . . . . . 4150 1 1102 . 1 1 93 93 TYR HD2 H 1 7.030 . . . . . . . . . . . 4150 1 1103 . 1 1 94 94 TRP N N 15 122.677 . . . . . . . . . . . 4150 1 1104 . 1 1 94 94 TRP H H 1 8.240 . . . . . . . . . . . 4150 1 1105 . 1 1 94 94 TRP CA C 13 57.880 . . . . . . . . . . . 4150 1 1106 . 1 1 94 94 TRP HA H 1 4.319 . . . . . . . . . . . 4150 1 1107 . 1 1 94 94 TRP CB C 13 70.593 . . . . . . . . . . . 4150 1 1108 . 1 1 94 94 TRP HB2 H 1 2.775 . . . . . . . . . . . 4150 1 1109 . 1 1 94 94 TRP HB3 H 1 3.028 . . . . . . . . . . . 4150 1 1110 . 1 1 94 94 TRP HD1 H 1 7.154 . . . . . . . . . . . 4150 1 1111 . 1 1 94 94 TRP NE1 N 15 129.729 . . . . . . . . . . . 4150 1 1112 . 1 1 94 94 TRP HE1 H 1 9.898 . . . . . . . . . . . 4150 1 1113 . 1 1 94 94 TRP CZ2 C 13 75.089 . . . . . . . . . . . 4150 1 1114 . 1 1 94 94 TRP HZ2 H 1 7.290 . . . . . . . . . . . 4150 1 1115 . 1 1 94 94 TRP CH2 C 13 83.192 . . . . . . . . . . . 4150 1 1116 . 1 1 94 94 TRP HH2 H 1 6.535 . . . . . . . . . . . 4150 1 1117 . 1 1 94 94 TRP CZ3 C 13 81.111 . . . . . . . . . . . 4150 1 1118 . 1 1 94 94 TRP HZ3 H 1 6.440 . . . . . . . . . . . 4150 1 1119 . 1 1 94 94 TRP CE3 C 13 79.288 . . . . . . . . . . . 4150 1 1120 . 1 1 94 94 TRP HE3 H 1 6.825 . . . . . . . . . . . 4150 1 1121 . 1 1 95 95 SER N N 15 115.540 . . . . . . . . . . . 4150 1 1122 . 1 1 95 95 SER H H 1 9.413 . . . . . . . . . . . 4150 1 1123 . 1 1 95 95 SER CA C 13 58.346 . . . . . . . . . . . 4150 1 1124 . 1 1 95 95 SER HA H 1 4.304 . . . . . . . . . . . 4150 1 1125 . 1 1 95 95 SER CB C 13 66.924 . . . . . . . . . . . 4150 1 1126 . 1 1 95 95 SER HB2 H 1 3.784 . . . . . . . . . . . 4150 1 1127 . 1 1 95 95 SER HB3 H 1 4.036 . . . . . . . . . . . 4150 1 1128 . 1 1 96 96 ASP N N 15 118.883 . . . . . . . . . . . 4150 1 1129 . 1 1 96 96 ASP H H 1 9.136 . . . . . . . . . . . 4150 1 1130 . 1 1 96 96 ASP CA C 13 54.752 . . . . . . . . . . . 4150 1 1131 . 1 1 96 96 ASP HA H 1 4.438 . . . . . . . . . . . 4150 1 1132 . 1 1 96 96 ASP CB C 13 80.745 . . . . . . . . . . . 4150 1 1133 . 1 1 96 96 ASP HB2 H 1 2.429 . . . . . . . . . . . 4150 1 1134 . 1 1 96 96 ASP HB3 H 1 2.948 . . . . . . . . . . . 4150 1 1135 . 1 1 97 97 TRP N N 15 119.510 . . . . . . . . . . . 4150 1 1136 . 1 1 97 97 TRP H H 1 8.224 . . . . . . . . . . . 4150 1 1137 . 1 1 97 97 TRP CA C 13 58.394 . . . . . . . . . . . 4150 1 1138 . 1 1 97 97 TRP HA H 1 4.345 . . . . . . . . . . . 4150 1 1139 . 1 1 97 97 TRP CB C 13 70.296 . . . . . . . . . . . 4150 1 1140 . 1 1 97 97 TRP HB2 H 1 2.947 . . . . . . . . . . . 4150 1 1141 . 1 1 97 97 TRP HB3 H 1 3.195 . . . . . . . . . . . 4150 1 1142 . 1 1 97 97 TRP CD1 C 13 87.926 . . . . . . . . . . . 4150 1 1143 . 1 1 97 97 TRP HD1 H 1 7.173 . . . . . . . . . . . 4150 1 1144 . 1 1 97 97 TRP NE1 N 15 128.484 . . . . . . . . . . . 4150 1 1145 . 1 1 97 97 TRP HE1 H 1 9.856 . . . . . . . . . . . 4150 1 1146 . 1 1 97 97 TRP CZ2 C 13 74.509 . . . . . . . . . . . 4150 1 1147 . 1 1 97 97 TRP HZ2 H 1 6.892 . . . . . . . . . . . 4150 1 1148 . 1 1 97 97 TRP CH2 C 13 83.368 . . . . . . . . . . . 4150 1 1149 . 1 1 97 97 TRP HH2 H 1 6.475 . . . . . . . . . . . 4150 1 1150 . 1 1 97 97 TRP CZ3 C 13 81.820 . . . . . . . . . . . 4150 1 1151 . 1 1 97 97 TRP HZ3 H 1 6.683 . . . . . . . . . . . 4150 1 1152 . 1 1 97 97 TRP CE3 C 13 78.932 . . . . . . . . . . . 4150 1 1153 . 1 1 97 97 TRP HE3 H 1 6.902 . . . . . . . . . . . 4150 1 1154 . 1 1 98 98 SER N N 15 115.394 . . . . . . . . . . . 4150 1 1155 . 1 1 98 98 SER H H 1 9.043 . . . . . . . . . . . 4150 1 1156 . 1 1 98 98 SER CA C 13 58.401 . . . . . . . . . . . 4150 1 1157 . 1 1 98 98 SER HA H 1 4.407 . . . . . . . . . . . 4150 1 1158 . 1 1 98 98 SER CB C 13 65.904 . . . . . . . . . . . 4150 1 1159 . 1 1 98 98 SER HB2 H 1 4.088 . . . . . . . . . . . 4150 1 1160 . 1 1 98 98 SER HB3 H 1 4.399 . . . . . . . . . . . 4150 1 1161 . 1 1 99 99 GLU N N 15 117.250 . . . . . . . . . . . 4150 1 1162 . 1 1 99 99 GLU H H 1 8.519 . . . . . . . . . . . 4150 1 1163 . 1 1 99 99 GLU CA C 13 57.181 . . . . . . . . . . . 4150 1 1164 . 1 1 99 99 GLU HA H 1 4.338 . . . . . . . . . . . 4150 1 1165 . 1 1 99 99 GLU CB C 13 69.652 . . . . . . . . . . . 4150 1 1166 . 1 1 99 99 GLU HB2 H 1 2.110 . . . . . . . . . . . 4150 1 1167 . 1 1 99 99 GLU HB3 H 1 2.279 . . . . . . . . . . . 4150 1 1168 . 1 1 99 99 GLU CG C 13 76.470 . . . . . . . . . . . 4150 1 1169 . 1 1 99 99 GLU HG2 H 1 2.512 . . . . . . . . . . . 4150 1 1170 . 1 1 99 99 GLU HG3 H 1 2.512 . . . . . . . . . . . 4150 1 1171 . 1 1 100 100 GLU N N 15 121.972 . . . . . . . . . . . 4150 1 1172 . 1 1 100 100 GLU H H 1 8.504 . . . . . . . . . . . 4150 1 1173 . 1 1 100 100 GLU CA C 13 55.829 . . . . . . . . . . . 4150 1 1174 . 1 1 100 100 GLU HA H 1 4.971 . . . . . . . . . . . 4150 1 1175 . 1 1 100 100 GLU CB C 13 70.689 . . . . . . . . . . . 4150 1 1176 . 1 1 100 100 GLU HB3 H 1 1.950 . . . . . . . . . . . 4150 1 1177 . 1 1 100 100 GLU HB2 H 1 1.950 . . . . . . . . . . . 4150 1 1178 . 1 1 100 100 GLU CG C 13 77.009 . . . . . . . . . . . 4150 1 1179 . 1 1 100 100 GLU HG2 H 1 2.187 . . . . . . . . . . . 4150 1 1180 . 1 1 100 100 GLU HG3 H 1 2.502 . . . . . . . . . . . 4150 1 1181 . 1 1 101 101 ALA N N 15 124.394 . . . . . . . . . . . 4150 1 1182 . 1 1 101 101 ALA H H 1 8.816 . . . . . . . . . . . 4150 1 1183 . 1 1 101 101 ALA CA C 13 51.138 . . . . . . . . . . . 4150 1 1184 . 1 1 101 101 ALA HA H 1 4.978 . . . . . . . . . . . 4150 1 1185 . 1 1 101 101 ALA CB C 13 64.031 . . . . . . . . . . . 4150 1 1186 . 1 1 101 101 ALA HB1 H 1 1.362 . . . . . . . . . . . 4150 1 1187 . 1 1 101 101 ALA HB2 H 1 1.362 . . . . . . . . . . . 4150 1 1188 . 1 1 101 101 ALA HB3 H 1 1.362 . . . . . . . . . . . 4150 1 1189 . 1 1 102 102 SER N N 15 114.792 . . . . . . . . . . . 4150 1 1190 . 1 1 102 102 SER H H 1 8.834 . . . . . . . . . . . 4150 1 1191 . 1 1 102 102 SER CA C 13 56.679 . . . . . . . . . . . 4150 1 1192 . 1 1 102 102 SER HA H 1 6.191 . . . . . . . . . . . 4150 1 1193 . 1 1 102 102 SER CB C 13 67.467 . . . . . . . . . . . 4150 1 1194 . 1 1 102 102 SER HB2 H 1 3.865 . . . . . . . . . . . 4150 1 1195 . 1 1 102 102 SER HB3 H 1 3.990 . . . . . . . . . . . 4150 1 1196 . 1 1 103 103 GLY N N 15 107.379 . . . . . . . . . . . 4150 1 1197 . 1 1 103 103 GLY H H 1 8.972 . . . . . . . . . . . 4150 1 1198 . 1 1 103 103 GLY CA C 13 85.101 . . . . . . . . . . . 4150 1 1199 . 1 1 103 103 GLY HA2 H 1 3.754 . . . . . . . . . . . 4150 1 1200 . 1 1 103 103 GLY HA3 H 1 4.495 . . . . . . . . . . . 4150 1 1201 . 1 1 104 104 ILE N N 15 119.298 . . . . . . . . . . . 4150 1 1202 . 1 1 104 104 ILE H H 1 8.596 . . . . . . . . . . . 4150 1 1203 . 1 1 104 104 ILE CA C 13 59.734 . . . . . . . . . . . 4150 1 1204 . 1 1 104 104 ILE HA H 1 5.199 . . . . . . . . . . . 4150 1 1205 . 1 1 104 104 ILE CB C 13 80.980 . . . . . . . . . . . 4150 1 1206 . 1 1 104 104 ILE HB H 1 1.596 . . . . . . . . . . . 4150 1 1207 . 1 1 104 104 ILE CG1 C 13 67.844 . . . . . . . . . . . 4150 1 1208 . 1 1 104 104 ILE HG12 H 1 0.837 . . . . . . . . . . . 4150 1 1209 . 1 1 104 104 ILE HG13 H 1 1.475 . . . . . . . . . . . 4150 1 1210 . 1 1 104 104 ILE CD1 C 13 53.696 . . . . . . . . . . . 4150 1 1211 . 1 1 104 104 ILE HD11 H 1 0.708 . . . . . . . . . . . 4150 1 1212 . 1 1 104 104 ILE HD12 H 1 0.708 . . . . . . . . . . . 4150 1 1213 . 1 1 104 104 ILE HD13 H 1 0.708 . . . . . . . . . . . 4150 1 1214 . 1 1 104 104 ILE CG2 C 13 56.253 . . . . . . . . . . . 4150 1 1215 . 1 1 104 104 ILE HG21 H 1 0.782 . . . . . . . . . . . 4150 1 1216 . 1 1 104 104 ILE HG22 H 1 0.782 . . . . . . . . . . . 4150 1 1217 . 1 1 104 104 ILE HG23 H 1 0.782 . . . . . . . . . . . 4150 1 1218 . 1 1 105 105 THR N N 15 116.618 . . . . . . . . . . . 4150 1 1219 . 1 1 105 105 THR H H 1 8.720 . . . . . . . . . . . 4150 1 1220 . 1 1 105 105 THR CA C 13 61.302 . . . . . . . . . . . 4150 1 1221 . 1 1 105 105 THR HA H 1 4.134 . . . . . . . . . . . 4150 1 1222 . 1 1 105 105 THR CB C 13 69.682 . . . . . . . . . . . 4150 1 1223 . 1 1 105 105 THR HB H 1 4.917 . . . . . . . . . . . 4150 1 1224 . 1 1 105 105 THR CG2 C 13 64.490 . . . . . . . . . . . 4150 1 1225 . 1 1 105 105 THR HG21 H 1 1.201 . . . . . . . . . . . 4150 1 1226 . 1 1 105 105 THR HG22 H 1 1.201 . . . . . . . . . . . 4150 1 1227 . 1 1 105 105 THR HG23 H 1 1.201 . . . . . . . . . . . 4150 1 1228 . 1 1 106 106 TYR N N 15 119.537 . . . . . . . . . . . 4150 1 1229 . 1 1 106 106 TYR H H 1 7.999 . . . . . . . . . . . 4150 1 1230 . 1 1 106 106 TYR CA C 13 58.234 . . . . . . . . . . . 4150 1 1231 . 1 1 106 106 TYR HA H 1 4.421 . . . . . . . . . . . 4150 1 1232 . 1 1 106 106 TYR CB C 13 79.320 . . . . . . . . . . . 4150 1 1233 . 1 1 106 106 TYR HB2 H 1 2.865 . . . . . . . . . . . 4150 1 1234 . 1 1 106 106 TYR HB3 H 1 3.047 . . . . . . . . . . . 4150 1 1235 . 1 1 106 106 TYR CD1 C 13 53.376 . . . . . . . . . . . 4150 1 1236 . 1 1 106 106 TYR HD1 H 1 7.217 . . . . . . . . . . . 4150 1 1237 . 1 1 106 106 TYR CE1 C 13 78.599 . . . . . . . . . . . 4150 1 1238 . 1 1 106 106 TYR HE1 H 1 6.887 . . . . . . . . . . . 4150 1 1239 . 1 1 106 106 TYR CE2 C 13 78.599 . . . . . . . . . . . 4150 1 1240 . 1 1 106 106 TYR HE2 H 1 6.887 . . . . . . . . . . . 4150 1 1241 . 1 1 106 106 TYR CD2 C 13 53.376 . . . . . . . . . . . 4150 1 1242 . 1 1 106 106 TYR HD2 H 1 7.217 . . . . . . . . . . . 4150 1 1243 . 1 1 107 107 GLU N N 15 119.282 . . . . . . . . . . . 4150 1 1244 . 1 1 107 107 GLU H H 1 7.550 . . . . . . . . . . . 4150 1 1245 . 1 1 107 107 GLU CA C 13 56.336 . . . . . . . . . . . 4150 1 1246 . 1 1 107 107 GLU HA H 1 4.167 . . . . . . . . . . . 4150 1 1247 . 1 1 107 107 GLU CB C 13 70.758 . . . . . . . . . . . 4150 1 1248 . 1 1 107 107 GLU HB2 H 1 1.634 . . . . . . . . . . . 4150 1 1249 . 1 1 107 107 GLU HB3 H 1 1.757 . . . . . . . . . . . 4150 1 1250 . 1 1 107 107 GLU CG C 13 75.810 . . . . . . . . . . . 4150 1 1251 . 1 1 107 107 GLU HG2 H 1 1.885 . . . . . . . . . . . 4150 1 1252 . 1 1 107 107 GLU HG3 H 1 1.885 . . . . . . . . . . . 4150 1 1253 . 1 1 108 108 ASP N N 15 122.219 . . . . . . . . . . . 4150 1 1254 . 1 1 108 108 ASP H H 1 8.541 . . . . . . . . . . . 4150 1 1255 . 1 1 108 108 ASP CA C 13 54.429 . . . . . . . . . . . 4150 1 1256 . 1 1 108 108 ASP HA H 1 4.677 . . . . . . . . . . . 4150 1 1257 . 1 1 108 108 ASP CB C 13 80.940 . . . . . . . . . . . 4150 1 1258 . 1 1 108 108 ASP HB2 H 1 2.541 . . . . . . . . . . . 4150 1 1259 . 1 1 108 108 ASP HB3 H 1 2.737 . . . . . . . . . . . 4150 1 1260 . 1 1 109 109 ARG N N 15 127.025 . . . . . . . . . . . 4150 1 1261 . 1 1 109 109 ARG H H 1 7.927 . . . . . . . . . . . 4150 1 1262 . 1 1 109 109 ARG CA C 13 57.307 . . . . . . . . . . . 4150 1 1263 . 1 1 109 109 ARG HA H 1 4.183 . . . . . . . . . . . 4150 1 1264 . 1 1 109 109 ARG CB C 13 71.511 . . . . . . . . . . . 4150 1 1265 . 1 1 109 109 ARG HB3 H 1 1.713 . . . . . . . . . . . 4150 1 1266 . 1 1 109 109 ARG HB2 H 1 1.834 . . . . . . . . . . . 4150 1 1267 . 1 1 109 109 ARG CG C 13 66.695 . . . . . . . . . . . 4150 1 1268 . 1 1 109 109 ARG HG2 H 1 1.572 . . . . . . . . . . . 4150 1 1269 . 1 1 109 109 ARG HG3 H 1 1.572 . . . . . . . . . . . 4150 1 1270 . 1 1 109 109 ARG CD C 13 83.147 . . . . . . . . . . . 4150 1 1271 . 1 1 109 109 ARG HD2 H 1 3.144 . . . . . . . . . . . 4150 1 1272 . 1 1 109 109 ARG HD3 H 1 3.144 . . . . . . . . . . . 4150 1 stop_ save_