data_4100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4100 _Entry.Title ; Resonance Assignments of the Mrf-2 DNA-binding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-01-23 _Entry.Accession_date 1998-01-23 _Entry.Last_release_date 1999-03-22 _Entry.Original_release_date 1999-03-22 _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 Yate-Ching Yuan . . . 4100 2 Robert Whitson . H. . 4100 3 Keiichi Itakura . . . 4100 4 Yuan Chen . . . 4100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 4100 '15N chemical shifts' 108 4100 '1H chemical shifts' 742 4100 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 . . 1999-03-22 1998-01-23 original author . 4100 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4100 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98356293 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yuan, Y-C., Whitson, R. H., Itakura, K., and Chen, Y., "Resonance Assignments of the Mrf-2 DNA-binding Domain," J. Biomol. NMR 11, 459-460 (1998). ; _Citation.Title 'Resonance Assignments of the Mrf-2 DNA-binding Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 4 _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 459 _Citation.Page_last 460 _Citation.Year 1998 _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 Yate-Ching Yuan . . . 4100 1 2 Robert Whitson . H. . 4100 1 3 Keiichi Itakura . . . 4100 1 4 Yuan Chen . . . 4100 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domains' 4100 1 Mrf-2 4100 1 'transcription factors' 4100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mrf-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mrf-2 _Assembly.Entry_ID 4100 _Assembly.ID 1 _Assembly.Name Mrf-2 _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 . _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 4100 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 Mrf-2 1 $Mrf-2 . . . native . . . . . 4100 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 . PDB 1BMY . 'Human Mrf-2 Domain, Nmr, 10 Structures' . . . . 4100 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Mrf-2 abbreviation 4100 1 Mrf-2 system 4100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mrf-2 _Entity.Sf_category entity _Entity.Sf_framecode Mrf-2 _Entity.Entry_ID 4100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA-binding domain Mrf-2' _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 ; MRGSHHHHHHGSRADEQAFL VALYKYMKERKTPIERIPYL GFKQINLWTMFQAAQKLGGY ETITARRQWKHIYDELGGNP GSTSAATCTRRHYERLILPY ERFIKGEEDKPLPPIKPRK ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1IG6 . "Human Mrf-2 Domain, Nmr, 11 Structures" . . . . . 89.92 107 100.00 100.00 2.88e-72 . . . . 4100 1 2 no PDB 2OEH . "Determination Of The Three-Dimensional Structure Of The Mrf2-Dna Complex Using Paramagnetic Spin Labeling" . . . . . 89.92 107 100.00 100.00 2.88e-72 . . . . 4100 1 3 no DBJ BAB15012 . "unnamed protein product [Homo sapiens]" . . . . . 89.92 214 100.00 100.00 2.24e-73 . . . . 4100 1 4 no DBJ BAE37034 . "unnamed protein product [Mus musculus]" . . . . . 70.59 158 98.81 98.81 5.38e-54 . . . . 4100 1 5 no DBJ BAI45553 . "AT rich interactive domain 5B [synthetic construct]" . . . . . 89.92 1188 100.00 100.00 4.64e-67 . . . . 4100 1 6 no EMBL CAG32224 . "hypothetical protein RCJMB04_20e24 [Gallus gallus]" . . . . . 89.92 1185 99.07 100.00 3.12e-67 . . . . 4100 1 7 no EMBL CAH89369 . "hypothetical protein [Pongo abelii]" . . . . . 89.92 944 100.00 100.00 3.32e-68 . . . . 4100 1 8 no GB AAA59870 . "modulator recognition factor 2 [Homo sapiens]" . . . . . 89.92 246 100.00 100.00 2.94e-73 . . . . 4100 1 9 no GB AAF89682 . "DNA binding protein DESRT [Mus musculus]" . . . . . 89.92 743 100.00 100.00 7.67e-68 . . . . 4100 1 10 no GB AAH15120 . "ARID5B protein, partial [Homo sapiens]" . . . . . 89.92 217 99.07 99.07 1.45e-72 . . . . 4100 1 11 no GB AAH66345 . "ARID5B protein, partial [Homo sapiens]" . . . . . 89.92 213 100.00 100.00 2.40e-73 . . . . 4100 1 12 no GB AAI07801 . "ARID5B protein, partial [Homo sapiens]" . . . . . 90.76 458 99.07 99.07 1.75e-69 . . . . 4100 1 13 no REF NP_001026391 . "AT-rich interactive domain-containing protein 5B [Gallus gallus]" . . . . . 89.92 1185 99.07 100.00 3.12e-67 . . . . 4100 1 14 no REF NP_001101094 . "AT-rich interactive domain-containing protein 5B [Rattus norvegicus]" . . . . . 89.92 1184 100.00 100.00 3.10e-67 . . . . 4100 1 15 no REF NP_001125269 . "AT-rich interactive domain-containing protein 5B [Pongo abelii]" . . . . . 89.92 944 100.00 100.00 3.32e-68 . . . . 4100 1 16 no REF NP_001231567 . "AT-rich interactive domain-containing protein 5B isoform 2 [Homo sapiens]" . . . . . 89.92 945 100.00 100.00 3.40e-68 . . . . 4100 1 17 no REF NP_076087 . "AT-rich interactive domain-containing protein 5B [Mus musculus]" . . . . . 89.92 1188 100.00 100.00 4.32e-67 . . . . 4100 1 18 no SP E1BLP6 . "RecName: Full=AT-rich interactive domain-containing protein 5B; Short=ARID domain-containing protein 5B" . . . . . 89.92 1173 100.00 100.00 3.08e-67 . . . . 4100 1 19 no SP E2R9X2 . "RecName: Full=AT-rich interactive domain-containing protein 5B; Short=ARID domain-containing protein 5B" . . . . . 89.92 1187 100.00 100.00 1.53e-66 . . . . 4100 1 20 no SP Q14865 . "RecName: Full=AT-rich interactive domain-containing protein 5B; Short=ARID domain-containing protein 5B; AltName: Full=MRF1-lik" . . . . . 89.92 1188 100.00 100.00 4.64e-67 . . . . 4100 1 21 no SP Q5ZJ69 . "RecName: Full=AT-rich interactive domain-containing protein 5B; Short=ARID domain-containing protein 5B" . . . . . 89.92 1185 99.07 100.00 3.12e-67 . . . . 4100 1 22 no SP Q8BM75 . "RecName: Full=AT-rich interactive domain-containing protein 5B; Short=ARID domain-containing protein 5B; AltName: Full=Developm" . . . . . 89.92 1188 100.00 100.00 4.32e-67 . . . . 4100 1 23 no TPG DAA14307 . "TPA: AT rich interactive domain 5B (MRF1-like) [Bos taurus]" . . . . . 89.92 1130 100.00 100.00 2.56e-67 . . . . 4100 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA-binding domain Mrf-2' common 4100 1 Mrf-2 abbreviation 4100 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 . 4100 1 2 . ARG . 4100 1 3 . GLY . 4100 1 4 . SER . 4100 1 5 . HIS . 4100 1 6 . HIS . 4100 1 7 . HIS . 4100 1 8 . HIS . 4100 1 9 . HIS . 4100 1 10 . HIS . 4100 1 11 . GLY . 4100 1 12 . SER . 4100 1 13 . ARG . 4100 1 14 . ALA . 4100 1 15 . ASP . 4100 1 16 . GLU . 4100 1 17 . GLN . 4100 1 18 . ALA . 4100 1 19 . PHE . 4100 1 20 . LEU . 4100 1 21 . VAL . 4100 1 22 . ALA . 4100 1 23 . LEU . 4100 1 24 . TYR . 4100 1 25 . LYS . 4100 1 26 . TYR . 4100 1 27 . MET . 4100 1 28 . LYS . 4100 1 29 . GLU . 4100 1 30 . ARG . 4100 1 31 . LYS . 4100 1 32 . THR . 4100 1 33 . PRO . 4100 1 34 . ILE . 4100 1 35 . GLU . 4100 1 36 . ARG . 4100 1 37 . ILE . 4100 1 38 . PRO . 4100 1 39 . TYR . 4100 1 40 . LEU . 4100 1 41 . GLY . 4100 1 42 . PHE . 4100 1 43 . LYS . 4100 1 44 . GLN . 4100 1 45 . ILE . 4100 1 46 . ASN . 4100 1 47 . LEU . 4100 1 48 . TRP . 4100 1 49 . THR . 4100 1 50 . MET . 4100 1 51 . PHE . 4100 1 52 . GLN . 4100 1 53 . ALA . 4100 1 54 . ALA . 4100 1 55 . GLN . 4100 1 56 . LYS . 4100 1 57 . LEU . 4100 1 58 . GLY . 4100 1 59 . GLY . 4100 1 60 . TYR . 4100 1 61 . GLU . 4100 1 62 . THR . 4100 1 63 . ILE . 4100 1 64 . THR . 4100 1 65 . ALA . 4100 1 66 . ARG . 4100 1 67 . ARG . 4100 1 68 . GLN . 4100 1 69 . TRP . 4100 1 70 . LYS . 4100 1 71 . HIS . 4100 1 72 . ILE . 4100 1 73 . TYR . 4100 1 74 . ASP . 4100 1 75 . GLU . 4100 1 76 . LEU . 4100 1 77 . GLY . 4100 1 78 . GLY . 4100 1 79 . ASN . 4100 1 80 . PRO . 4100 1 81 . GLY . 4100 1 82 . SER . 4100 1 83 . THR . 4100 1 84 . SER . 4100 1 85 . ALA . 4100 1 86 . ALA . 4100 1 87 . THR . 4100 1 88 . CYS . 4100 1 89 . THR . 4100 1 90 . ARG . 4100 1 91 . ARG . 4100 1 92 . HIS . 4100 1 93 . TYR . 4100 1 94 . GLU . 4100 1 95 . ARG . 4100 1 96 . LEU . 4100 1 97 . ILE . 4100 1 98 . LEU . 4100 1 99 . PRO . 4100 1 100 . TYR . 4100 1 101 . GLU . 4100 1 102 . ARG . 4100 1 103 . PHE . 4100 1 104 . ILE . 4100 1 105 . LYS . 4100 1 106 . GLY . 4100 1 107 . GLU . 4100 1 108 . GLU . 4100 1 109 . ASP . 4100 1 110 . LYS . 4100 1 111 . PRO . 4100 1 112 . LEU . 4100 1 113 . PRO . 4100 1 114 . PRO . 4100 1 115 . ILE . 4100 1 116 . LYS . 4100 1 117 . PRO . 4100 1 118 . ARG . 4100 1 119 . LYS . 4100 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 4100 1 . ARG 2 2 4100 1 . GLY 3 3 4100 1 . SER 4 4 4100 1 . HIS 5 5 4100 1 . HIS 6 6 4100 1 . HIS 7 7 4100 1 . HIS 8 8 4100 1 . HIS 9 9 4100 1 . HIS 10 10 4100 1 . GLY 11 11 4100 1 . SER 12 12 4100 1 . ARG 13 13 4100 1 . ALA 14 14 4100 1 . ASP 15 15 4100 1 . GLU 16 16 4100 1 . GLN 17 17 4100 1 . ALA 18 18 4100 1 . PHE 19 19 4100 1 . LEU 20 20 4100 1 . VAL 21 21 4100 1 . ALA 22 22 4100 1 . LEU 23 23 4100 1 . TYR 24 24 4100 1 . LYS 25 25 4100 1 . TYR 26 26 4100 1 . MET 27 27 4100 1 . LYS 28 28 4100 1 . GLU 29 29 4100 1 . ARG 30 30 4100 1 . LYS 31 31 4100 1 . THR 32 32 4100 1 . PRO 33 33 4100 1 . ILE 34 34 4100 1 . GLU 35 35 4100 1 . ARG 36 36 4100 1 . ILE 37 37 4100 1 . PRO 38 38 4100 1 . TYR 39 39 4100 1 . LEU 40 40 4100 1 . GLY 41 41 4100 1 . PHE 42 42 4100 1 . LYS 43 43 4100 1 . GLN 44 44 4100 1 . ILE 45 45 4100 1 . ASN 46 46 4100 1 . LEU 47 47 4100 1 . TRP 48 48 4100 1 . THR 49 49 4100 1 . MET 50 50 4100 1 . PHE 51 51 4100 1 . GLN 52 52 4100 1 . ALA 53 53 4100 1 . ALA 54 54 4100 1 . GLN 55 55 4100 1 . LYS 56 56 4100 1 . LEU 57 57 4100 1 . GLY 58 58 4100 1 . GLY 59 59 4100 1 . TYR 60 60 4100 1 . GLU 61 61 4100 1 . THR 62 62 4100 1 . ILE 63 63 4100 1 . THR 64 64 4100 1 . ALA 65 65 4100 1 . ARG 66 66 4100 1 . ARG 67 67 4100 1 . GLN 68 68 4100 1 . TRP 69 69 4100 1 . LYS 70 70 4100 1 . HIS 71 71 4100 1 . ILE 72 72 4100 1 . TYR 73 73 4100 1 . ASP 74 74 4100 1 . GLU 75 75 4100 1 . LEU 76 76 4100 1 . GLY 77 77 4100 1 . GLY 78 78 4100 1 . ASN 79 79 4100 1 . PRO 80 80 4100 1 . GLY 81 81 4100 1 . SER 82 82 4100 1 . THR 83 83 4100 1 . SER 84 84 4100 1 . ALA 85 85 4100 1 . ALA 86 86 4100 1 . THR 87 87 4100 1 . CYS 88 88 4100 1 . THR 89 89 4100 1 . ARG 90 90 4100 1 . ARG 91 91 4100 1 . HIS 92 92 4100 1 . TYR 93 93 4100 1 . GLU 94 94 4100 1 . ARG 95 95 4100 1 . LEU 96 96 4100 1 . ILE 97 97 4100 1 . LEU 98 98 4100 1 . PRO 99 99 4100 1 . TYR 100 100 4100 1 . GLU 101 101 4100 1 . ARG 102 102 4100 1 . PHE 103 103 4100 1 . ILE 104 104 4100 1 . LYS 105 105 4100 1 . GLY 106 106 4100 1 . GLU 107 107 4100 1 . GLU 108 108 4100 1 . ASP 109 109 4100 1 . LYS 110 110 4100 1 . PRO 111 111 4100 1 . LEU 112 112 4100 1 . PRO 113 113 4100 1 . PRO 114 114 4100 1 . ILE 115 115 4100 1 . LYS 116 116 4100 1 . PRO 117 117 4100 1 . ARG 118 118 4100 1 . LYS 119 119 4100 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 4100 _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 $Mrf-2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4100 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 4100 _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 $Mrf-2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli M15PREP . . . . . . . . . . . . plasmid . . PQE30 . . . ; native ( The modified plasmid has an open reading frame that encodes the sequence Met-Arg-Gly-Ser-(His)6-Gly-Ser, followed by the residues 13-119) ; . . 4100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4100 _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 'DNA-binding domain Mrf-2' '[U-13C; U-15N]' . . 1 $Mrf-2 . . 1.0 . . mM . . . . 4100 1 2 H2O . . . . . . . 90 . . % . . . . 4100 1 3 D2O . . . . . . . 10 . . % . . . . 4100 1 4 KCL . . . . . . . 100 . . mM . . . . 4100 1 5 Na2S2O4 . . . . . . . 20 . . mM . . . . 4100 1 6 NaN3 . . . . . . . 0.15 . . % . . . . 4100 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4100 _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 6.0 . n/a 4100 1 temperature 298 . K 4100 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4100 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4100 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 4100 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4100 _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 . . . . . . . . . . 4100 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 4100 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4100 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_chemical_shift_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4100 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 ; The chemical shifts recorded in this save frame are from amino acid residues where only a single set of shifts were observed. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4100 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 13 13 ARG H H 1 8.70 0.04 . 1 . . . . . . . . 4100 1 2 . 1 1 13 13 ARG HA H 1 4.38 0.04 . 1 . . . . . . . . 4100 1 3 . 1 1 13 13 ARG HB2 H 1 1.96 0.04 . 2 . . . . . . . . 4100 1 4 . 1 1 13 13 ARG HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 5 . 1 1 13 13 ARG HG2 H 1 1.70 0.04 . 1 . . . . . . . . 4100 1 6 . 1 1 13 13 ARG HG3 H 1 1.70 0.04 . 1 . . . . . . . . 4100 1 7 . 1 1 13 13 ARG HD2 H 1 3.21 0.04 . 1 . . . . . . . . 4100 1 8 . 1 1 13 13 ARG HD3 H 1 3.21 0.04 . 1 . . . . . . . . 4100 1 9 . 1 1 13 13 ARG CA C 13 57.29 0.50 . 1 . . . . . . . . 4100 1 10 . 1 1 13 13 ARG CB C 13 30.40 0.50 . 1 . . . . . . . . 4100 1 11 . 1 1 13 13 ARG CG C 13 27.10 0.50 . 1 . . . . . . . . 4100 1 12 . 1 1 13 13 ARG CD C 13 43.40 0.50 . 1 . . . . . . . . 4100 1 13 . 1 1 13 13 ARG N N 15 123.12 0.50 . 1 . . . . . . . . 4100 1 14 . 1 1 14 14 ALA H H 1 8.23 0.04 . 1 . . . . . . . . 4100 1 15 . 1 1 14 14 ALA HA H 1 4.16 0.04 . 1 . . . . . . . . 4100 1 16 . 1 1 14 14 ALA HB1 H 1 1.44 0.04 . 1 . . . . . . . . 4100 1 17 . 1 1 14 14 ALA HB2 H 1 1.44 0.04 . 1 . . . . . . . . 4100 1 18 . 1 1 14 14 ALA HB3 H 1 1.44 0.04 . 1 . . . . . . . . 4100 1 19 . 1 1 14 14 ALA CA C 13 55.10 0.50 . 1 . . . . . . . . 4100 1 20 . 1 1 14 14 ALA CB C 13 18.52 0.50 . 1 . . . . . . . . 4100 1 21 . 1 1 14 14 ALA N N 15 122.91 0.50 . 1 . . . . . . . . 4100 1 22 . 1 1 15 15 ASP H H 1 8.09 0.04 . 1 . . . . . . . . 4100 1 23 . 1 1 15 15 ASP HA H 1 4.33 0.04 . 1 . . . . . . . . 4100 1 24 . 1 1 15 15 ASP HB2 H 1 2.75 0.04 . 1 . . . . . . . . 4100 1 25 . 1 1 15 15 ASP HB3 H 1 2.75 0.04 . 1 . . . . . . . . 4100 1 26 . 1 1 15 15 ASP CA C 13 56.10 0.50 . 1 . . . . . . . . 4100 1 27 . 1 1 15 15 ASP CB C 13 40.20 0.50 . 1 . . . . . . . . 4100 1 28 . 1 1 15 15 ASP N N 15 118.90 0.50 . 1 . . . . . . . . 4100 1 29 . 1 1 16 16 GLU H H 1 7.60 0.04 . 1 . . . . . . . . 4100 1 30 . 1 1 16 16 GLU HA H 1 2.28 0.04 . 1 . . . . . . . . 4100 1 31 . 1 1 16 16 GLU HB2 H 1 1.87 0.04 . 1 . . . . . . . . 4100 1 32 . 1 1 16 16 GLU HB3 H 1 1.87 0.04 . 1 . . . . . . . . 4100 1 33 . 1 1 16 16 GLU HG2 H 1 1.67 0.04 . 1 . . . . . . . . 4100 1 34 . 1 1 16 16 GLU HG3 H 1 1.67 0.04 . 1 . . . . . . . . 4100 1 35 . 1 1 16 16 GLU CA C 13 58.82 0.50 . 1 . . . . . . . . 4100 1 36 . 1 1 16 16 GLU CB C 13 29.60 0.50 . 1 . . . . . . . . 4100 1 37 . 1 1 16 16 GLU CG C 13 27.40 0.50 . 1 . . . . . . . . 4100 1 38 . 1 1 16 16 GLU N N 15 123.12 0.50 . 1 . . . . . . . . 4100 1 39 . 1 1 17 17 GLN H H 1 7.93 0.04 . 1 . . . . . . . . 4100 1 40 . 1 1 17 17 GLN HA H 1 3.92 0.04 . 1 . . . . . . . . 4100 1 41 . 1 1 17 17 GLN HB2 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 42 . 1 1 17 17 GLN HB3 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 43 . 1 1 17 17 GLN HG2 H 1 2.41 0.04 . 1 . . . . . . . . 4100 1 44 . 1 1 17 17 GLN HG3 H 1 2.41 0.04 . 1 . . . . . . . . 4100 1 45 . 1 1 17 17 GLN HE21 H 1 7.40 0.04 . 2 . . . . . . . . 4100 1 46 . 1 1 17 17 GLN HE22 H 1 6.82 0.04 . 2 . . . . . . . . 4100 1 47 . 1 1 17 17 GLN CA C 13 59.36 0.50 . 1 . . . . . . . . 4100 1 48 . 1 1 17 17 GLN CB C 13 28.10 0.50 . 1 . . . . . . . . 4100 1 49 . 1 1 17 17 GLN CG C 13 33.80 0.50 . 1 . . . . . . . . 4100 1 50 . 1 1 17 17 GLN N N 15 115.95 0.50 . 1 . . . . . . . . 4100 1 51 . 1 1 17 17 GLN NE2 N 15 111.69 0.50 . 1 . . . . . . . . 4100 1 52 . 1 1 18 18 ALA H H 1 7.94 0.50 . 1 . . . . . . . . 4100 1 53 . 1 1 18 18 ALA HA H 1 4.07 0.04 . 1 . . . . . . . . 4100 1 54 . 1 1 18 18 ALA HB1 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 55 . 1 1 18 18 ALA HB2 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 56 . 1 1 18 18 ALA HB3 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 57 . 1 1 18 18 ALA CA C 13 55.37 0.50 . 1 . . . . . . . . 4100 1 58 . 1 1 18 18 ALA CB C 13 17.90 0.50 . 1 . . . . . . . . 4100 1 59 . 1 1 18 18 ALA N N 15 120.17 0.50 . 1 . . . . . . . . 4100 1 60 . 1 1 19 19 PHE H H 1 7.82 0.04 . 1 . . . . . . . . 4100 1 61 . 1 1 19 19 PHE HA H 1 4.24 0.04 . 1 . . . . . . . . 4100 1 62 . 1 1 19 19 PHE HB2 H 1 3.23 0.04 . 2 . . . . . . . . 4100 1 63 . 1 1 19 19 PHE HB3 H 1 3.05 0.04 . 2 . . . . . . . . 4100 1 64 . 1 1 19 19 PHE CA C 13 61.50 0.50 . 1 . . . . . . . . 4100 1 65 . 1 1 19 19 PHE CB C 13 39.90 0.50 . 1 . . . . . . . . 4100 1 66 . 1 1 19 19 PHE N N 15 120.10 0.50 . 1 . . . . . . . . 4100 1 67 . 1 1 20 20 LEU H H 1 8.30 0.04 . 1 . . . . . . . . 4100 1 68 . 1 1 20 20 LEU HA H 1 3.62 0.04 . 1 . . . . . . . . 4100 1 69 . 1 1 20 20 LEU HB2 H 1 1.93 0.04 . 1 . . . . . . . . 4100 1 70 . 1 1 20 20 LEU HB3 H 1 1.93 0.04 . 1 . . . . . . . . 4100 1 71 . 1 1 20 20 LEU HG H 1 2.16 0.04 . 1 . . . . . . . . 4100 1 72 . 1 1 20 20 LEU HD11 H 1 1.03 0.04 . 2 . . . . . . . . 4100 1 73 . 1 1 20 20 LEU HD12 H 1 1.03 0.04 . 2 . . . . . . . . 4100 1 74 . 1 1 20 20 LEU HD13 H 1 1.03 0.04 . 2 . . . . . . . . 4100 1 75 . 1 1 20 20 LEU HD21 H 1 1.16 0.04 . 2 . . . . . . . . 4100 1 76 . 1 1 20 20 LEU HD22 H 1 1.16 0.04 . 2 . . . . . . . . 4100 1 77 . 1 1 20 20 LEU HD23 H 1 1.16 0.04 . 2 . . . . . . . . 4100 1 78 . 1 1 20 20 LEU CA C 13 57.97 0.50 . 1 . . . . . . . . 4100 1 79 . 1 1 20 20 LEU CB C 13 41.30 0.50 . 1 . . . . . . . . 4100 1 80 . 1 1 20 20 LEU CG C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 81 . 1 1 20 20 LEU CD1 C 13 26.14 0.50 . 1 . . . . . . . . 4100 1 82 . 1 1 20 20 LEU CD2 C 13 22.59 0.50 . 1 . . . . . . . . 4100 1 83 . 1 1 20 20 LEU N N 15 119.10 0.50 . 1 . . . . . . . . 4100 1 84 . 1 1 21 21 VAL H H 1 8.01 0.04 . 1 . . . . . . . . 4100 1 85 . 1 1 21 21 VAL HA H 1 3.55 0.04 . 1 . . . . . . . . 4100 1 86 . 1 1 21 21 VAL HB H 1 2.00 0.04 . 1 . . . . . . . . 4100 1 87 . 1 1 21 21 VAL HG11 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 88 . 1 1 21 21 VAL HG12 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 89 . 1 1 21 21 VAL HG13 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 90 . 1 1 21 21 VAL HG21 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 91 . 1 1 21 21 VAL HG22 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 92 . 1 1 21 21 VAL HG23 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 93 . 1 1 21 21 VAL CA C 13 66.80 0.50 . 1 . . . . . . . . 4100 1 94 . 1 1 21 21 VAL CB C 13 31.80 0.50 . 1 . . . . . . . . 4100 1 95 . 1 1 21 21 VAL CG1 C 13 23.00 0.50 . 1 . . . . . . . . 4100 1 96 . 1 1 21 21 VAL CG2 C 13 21.00 0.50 . 1 . . . . . . . . 4100 1 97 . 1 1 21 21 VAL N N 15 117.19 0.50 . 1 . . . . . . . . 4100 1 98 . 1 1 22 22 ALA H H 1 7.49 0.04 . 1 . . . . . . . . 4100 1 99 . 1 1 22 22 ALA HA H 1 4.07 0.04 . 1 . . . . . . . . 4100 1 100 . 1 1 22 22 ALA HB1 H 1 1.54 0.04 . 1 . . . . . . . . 4100 1 101 . 1 1 22 22 ALA HB2 H 1 1.54 0.04 . 1 . . . . . . . . 4100 1 102 . 1 1 22 22 ALA HB3 H 1 1.54 0.04 . 1 . . . . . . . . 4100 1 103 . 1 1 22 22 ALA CA C 13 55.40 0.50 . 1 . . . . . . . . 4100 1 104 . 1 1 22 22 ALA CB C 13 19.23 0.50 . 1 . . . . . . . . 4100 1 105 . 1 1 22 22 ALA N N 15 122.40 0.50 . 1 . . . . . . . . 4100 1 106 . 1 1 23 23 LEU H H 1 8.77 0.04 . 1 . . . . . . . . 4100 1 107 . 1 1 23 23 LEU HA H 1 3.22 0.04 . 1 . . . . . . . . 4100 1 108 . 1 1 23 23 LEU HB2 H 1 1.19 0.04 . 2 . . . . . . . . 4100 1 109 . 1 1 23 23 LEU HB3 H 1 0.11 0.04 . 2 . . . . . . . . 4100 1 110 . 1 1 23 23 LEU HG H 1 1.04 0.04 . 1 . . . . . . . . 4100 1 111 . 1 1 23 23 LEU HD11 H 1 0.66 0.04 . 2 . . . . . . . . 4100 1 112 . 1 1 23 23 LEU HD12 H 1 0.66 0.04 . 2 . . . . . . . . 4100 1 113 . 1 1 23 23 LEU HD13 H 1 0.66 0.04 . 2 . . . . . . . . 4100 1 114 . 1 1 23 23 LEU HD21 H 1 0.79 0.04 . 2 . . . . . . . . 4100 1 115 . 1 1 23 23 LEU HD22 H 1 0.79 0.04 . 2 . . . . . . . . 4100 1 116 . 1 1 23 23 LEU HD23 H 1 0.79 0.04 . 2 . . . . . . . . 4100 1 117 . 1 1 23 23 LEU CA C 13 58.20 0.50 . 1 . . . . . . . . 4100 1 118 . 1 1 23 23 LEU CB C 13 41.30 0.50 . 1 . . . . . . . . 4100 1 119 . 1 1 23 23 LEU CG C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 120 . 1 1 23 23 LEU CD1 C 13 26.64 0.50 . 1 . . . . . . . . 4100 1 121 . 1 1 23 23 LEU CD2 C 13 24.11 0.50 . 1 . . . . . . . . 4100 1 122 . 1 1 23 23 LEU N N 15 121.91 0.50 . 1 . . . . . . . . 4100 1 123 . 1 1 24 24 TYR H H 1 8.48 0.04 . 1 . . . . . . . . 4100 1 124 . 1 1 24 24 TYR HA H 1 3.99 0.04 . 1 . . . . . . . . 4100 1 125 . 1 1 24 24 TYR HB2 H 1 3.15 0.04 . 2 . . . . . . . . 4100 1 126 . 1 1 24 24 TYR HB3 H 1 2.87 0.04 . 2 . . . . . . . . 4100 1 127 . 1 1 24 24 TYR CA C 13 62.27 0.50 . 1 . . . . . . . . 4100 1 128 . 1 1 24 24 TYR CB C 13 37.40 0.50 . 1 . . . . . . . . 4100 1 129 . 1 1 24 24 TYR N N 15 116.90 0.50 . 1 . . . . . . . . 4100 1 130 . 1 1 25 25 LYS H H 1 7.91 0.04 . 1 . . . . . . . . 4100 1 131 . 1 1 25 25 LYS HA H 1 4.06 0.04 . 1 . . . . . . . . 4100 1 132 . 1 1 25 25 LYS HB2 H 1 1.96 0.04 . 1 . . . . . . . . 4100 1 133 . 1 1 25 25 LYS HB3 H 1 1.96 0.04 . 1 . . . . . . . . 4100 1 134 . 1 1 25 25 LYS HG2 H 1 1.47 0.04 . 2 . . . . . . . . 4100 1 135 . 1 1 25 25 LYS HG3 H 1 1.38 0.04 . 2 . . . . . . . . 4100 1 136 . 1 1 25 25 LYS HD2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 137 . 1 1 25 25 LYS HD3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 138 . 1 1 25 25 LYS HE2 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 139 . 1 1 25 25 LYS HE3 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 140 . 1 1 25 25 LYS CA C 13 60.20 0.50 . 1 . . . . . . . . 4100 1 141 . 1 1 25 25 LYS CB C 13 32.70 0.50 . 1 . . . . . . . . 4100 1 142 . 1 1 25 25 LYS CG C 13 24.71 0.50 . 1 . . . . . . . . 4100 1 143 . 1 1 25 25 LYS CD C 13 29.00 0.50 . 1 . . . . . . . . 4100 1 144 . 1 1 25 25 LYS CE C 13 41.93 0.50 . 1 . . . . . . . . 4100 1 145 . 1 1 25 25 LYS N N 15 120.17 0.50 . 1 . . . . . . . . 4100 1 146 . 1 1 26 26 TYR H H 1 8.27 0.04 . 1 . . . . . . . . 4100 1 147 . 1 1 26 26 TYR HA H 1 4.00 0.04 . 1 . . . . . . . . 4100 1 148 . 1 1 26 26 TYR HB2 H 1 3.22 0.04 . 2 . . . . . . . . 4100 1 149 . 1 1 26 26 TYR HB3 H 1 3.22 0.04 . 2 . . . . . . . . 4100 1 150 . 1 1 26 26 TYR CA C 13 61.70 0.50 . 1 . . . . . . . . 4100 1 151 . 1 1 26 26 TYR CB C 13 39.20 0.50 . 1 . . . . . . . . 4100 1 152 . 1 1 26 26 TYR N N 15 120.40 0.50 . 1 . . . . . . . . 4100 1 153 . 1 1 27 27 MET H H 1 8.22 0.04 . 1 . . . . . . . . 4100 1 154 . 1 1 27 27 MET HA H 1 3.97 0.04 . 1 . . . . . . . . 4100 1 155 . 1 1 27 27 MET HB2 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 156 . 1 1 27 27 MET HB3 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 157 . 1 1 27 27 MET HG2 H 1 2.57 0.04 . 2 . . . . . . . . 4100 1 158 . 1 1 27 27 MET HG3 H 1 2.52 0.04 . 2 . . . . . . . . 4100 1 159 . 1 1 27 27 MET HE1 H 1 2.33 0.04 . 1 . . . . . . . . 4100 1 160 . 1 1 27 27 MET HE2 H 1 2.33 0.04 . 1 . . . . . . . . 4100 1 161 . 1 1 27 27 MET HE3 H 1 2.33 0.04 . 1 . . . . . . . . 4100 1 162 . 1 1 27 27 MET CA C 13 57.20 0.50 . 1 . . . . . . . . 4100 1 163 . 1 1 27 27 MET CB C 13 31.69 0.50 . 1 . . . . . . . . 4100 1 164 . 1 1 27 27 MET CG C 13 36.80 0.50 . 1 . . . . . . . . 4100 1 165 . 1 1 27 27 MET CE C 13 18.52 0.50 . 1 . . . . . . . . 4100 1 166 . 1 1 27 27 MET N N 15 115.10 0.50 . 1 . . . . . . . . 4100 1 167 . 1 1 28 28 LYS H H 1 8.07 0.04 . 1 . . . . . . . . 4100 1 168 . 1 1 28 28 LYS HA H 1 3.81 0.04 . 1 . . . . . . . . 4100 1 169 . 1 1 28 28 LYS HB2 H 1 2.05 0.04 . 2 . . . . . . . . 4100 1 170 . 1 1 28 28 LYS HB3 H 1 1.92 0.04 . 2 . . . . . . . . 4100 1 171 . 1 1 28 28 LYS HG2 H 1 1.48 0.04 . 2 . . . . . . . . 4100 1 172 . 1 1 28 28 LYS HG3 H 1 1.37 0.04 . 2 . . . . . . . . 4100 1 173 . 1 1 28 28 LYS HD2 H 1 1.62 0.04 . 1 . . . . . . . . 4100 1 174 . 1 1 28 28 LYS HD3 H 1 1.62 0.04 . 1 . . . . . . . . 4100 1 175 . 1 1 28 28 LYS HE2 H 1 2.86 0.04 . 1 . . . . . . . . 4100 1 176 . 1 1 28 28 LYS HE3 H 1 2.86 0.04 . 1 . . . . . . . . 4100 1 177 . 1 1 28 28 LYS CA C 13 60.15 0.50 . 1 . . . . . . . . 4100 1 178 . 1 1 28 28 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4100 1 179 . 1 1 28 28 LYS CG C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 180 . 1 1 28 28 LYS CD C 13 29.10 0.50 . 1 . . . . . . . . 4100 1 181 . 1 1 28 28 LYS CE C 13 41.90 0.50 . 1 . . . . . . . . 4100 1 182 . 1 1 28 28 LYS N N 15 120.11 0.50 . 1 . . . . . . . . 4100 1 183 . 1 1 29 29 GLU H H 1 8.32 0.04 . 1 . . . . . . . . 4100 1 184 . 1 1 29 29 GLU HA H 1 3.95 0.04 . 1 . . . . . . . . 4100 1 185 . 1 1 29 29 GLU HB2 H 1 2.04 0.04 . 1 . . . . . . . . 4100 1 186 . 1 1 29 29 GLU HB3 H 1 2.04 0.04 . 1 . . . . . . . . 4100 1 187 . 1 1 29 29 GLU HG2 H 1 2.27 0.04 . 1 . . . . . . . . 4100 1 188 . 1 1 29 29 GLU HG3 H 1 2.27 0.04 . 1 . . . . . . . . 4100 1 189 . 1 1 29 29 GLU CA C 13 59.40 0.50 . 1 . . . . . . . . 4100 1 190 . 1 1 29 29 GLU CB C 13 28.60 0.50 . 1 . . . . . . . . 4100 1 191 . 1 1 29 29 GLU CG C 13 36.30 0.50 . 1 . . . . . . . . 4100 1 192 . 1 1 29 29 GLU N N 15 121.91 0.50 . 1 . . . . . . . . 4100 1 193 . 1 1 30 30 ARG H H 1 7.45 0.04 . 1 . . . . . . . . 4100 1 194 . 1 1 30 30 ARG HA H 1 4.14 0.04 . 1 . . . . . . . . 4100 1 195 . 1 1 30 30 ARG HB2 H 1 1.54 0.04 . 1 . . . . . . . . 4100 1 196 . 1 1 30 30 ARG HB3 H 1 1.54 0.04 . 1 . . . . . . . . 4100 1 197 . 1 1 30 30 ARG HG2 H 1 1.70 0.04 . 1 . . . . . . . . 4100 1 198 . 1 1 30 30 ARG HG3 H 1 1.70 0.04 . 1 . . . . . . . . 4100 1 199 . 1 1 30 30 ARG HD2 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 200 . 1 1 30 30 ARG HD3 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 201 . 1 1 30 30 ARG CA C 13 55.80 0.50 . 1 . . . . . . . . 4100 1 202 . 1 1 30 30 ARG CB C 13 30.20 0.50 . 1 . . . . . . . . 4100 1 203 . 1 1 30 30 ARG CG C 13 30.70 0.50 . 1 . . . . . . . . 4100 1 204 . 1 1 30 30 ARG CD C 13 41.90 0.50 . 1 . . . . . . . . 4100 1 205 . 1 1 30 30 ARG N N 15 117.90 0.50 . 1 . . . . . . . . 4100 1 206 . 1 1 31 31 LYS H H 1 7.73 0.04 . 1 . . . . . . . . 4100 1 207 . 1 1 31 31 LYS HA H 1 3.89 0.04 . 1 . . . . . . . . 4100 1 208 . 1 1 31 31 LYS HB2 H 1 2.32 0.04 . 2 . . . . . . . . 4100 1 209 . 1 1 31 31 LYS HB3 H 1 2.04 0.04 . 2 . . . . . . . . 4100 1 210 . 1 1 31 31 LYS HG2 H 1 1.34 0.04 . 2 . . . . . . . . 4100 1 211 . 1 1 31 31 LYS HG3 H 1 1.30 0.04 . 2 . . . . . . . . 4100 1 212 . 1 1 31 31 LYS HD2 H 1 1.71 0.04 . 2 . . . . . . . . 4100 1 213 . 1 1 31 31 LYS HD3 H 1 1.64 0.04 . 2 . . . . . . . . 4100 1 214 . 1 1 31 31 LYS HE2 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 215 . 1 1 31 31 LYS HE3 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 216 . 1 1 31 31 LYS CA C 13 56.90 0.50 . 1 . . . . . . . . 4100 1 217 . 1 1 31 31 LYS CB C 13 28.60 0.50 . 1 . . . . . . . . 4100 1 218 . 1 1 31 31 LYS CG C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 219 . 1 1 31 31 LYS CD C 13 29.00 0.50 . 1 . . . . . . . . 4100 1 220 . 1 1 31 31 LYS CE C 13 42.20 0.50 . 1 . . . . . . . . 4100 1 221 . 1 1 31 31 LYS N N 15 111.23 0.50 . 1 . . . . . . . . 4100 1 222 . 1 1 32 32 THR H H 1 8.19 0.04 . 1 . . . . . . . . 4100 1 223 . 1 1 32 32 THR HA H 1 4.70 0.04 . 1 . . . . . . . . 4100 1 224 . 1 1 32 32 THR HB H 1 4.36 0.04 . 1 . . . . . . . . 4100 1 225 . 1 1 32 32 THR HG21 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 226 . 1 1 32 32 THR HG22 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 227 . 1 1 32 32 THR HG23 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 228 . 1 1 32 32 THR CA C 13 57.50 0.50 . 1 . . . . . . . . 4100 1 229 . 1 1 32 32 THR CB C 13 70.00 0.50 . 1 . . . . . . . . 4100 1 230 . 1 1 32 32 THR CG2 C 13 19.40 0.50 . 1 . . . . . . . . 4100 1 231 . 1 1 32 32 THR N N 15 108.50 0.50 . 1 . . . . . . . . 4100 1 232 . 1 1 33 33 PRO HA H 1 4.45 0.04 . 1 . . . . . . . . 4100 1 233 . 1 1 33 33 PRO HB2 H 1 2.27 0.04 . 2 . . . . . . . . 4100 1 234 . 1 1 33 33 PRO HB3 H 1 1.87 0.04 . 2 . . . . . . . . 4100 1 235 . 1 1 33 33 PRO HG2 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 236 . 1 1 33 33 PRO HG3 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 237 . 1 1 33 33 PRO HD2 H 1 3.86 0.04 . 2 . . . . . . . . 4100 1 238 . 1 1 33 33 PRO HD3 H 1 3.64 0.04 . 2 . . . . . . . . 4100 1 239 . 1 1 33 33 PRO CA C 13 62.30 0.50 . 1 . . . . . . . . 4100 1 240 . 1 1 33 33 PRO CB C 13 32.40 0.50 . 1 . . . . . . . . 4100 1 241 . 1 1 33 33 PRO CG C 13 27.00 0.50 . 1 . . . . . . . . 4100 1 242 . 1 1 33 33 PRO CD C 13 51.00 0.50 . 1 . . . . . . . . 4100 1 243 . 1 1 34 34 ILE H H 1 8.33 0.04 . 1 . . . . . . . . 4100 1 244 . 1 1 34 34 ILE HA H 1 3.80 0.04 . 1 . . . . . . . . 4100 1 245 . 1 1 34 34 ILE HB H 1 1.39 0.04 . 1 . . . . . . . . 4100 1 246 . 1 1 34 34 ILE HG12 H 1 0.91 0.04 . 1 . . . . . . . . 4100 1 247 . 1 1 34 34 ILE HG13 H 1 0.91 0.04 . 1 . . . . . . . . 4100 1 248 . 1 1 34 34 ILE HG21 H 1 0.66 0.04 . 1 . . . . . . . . 4100 1 249 . 1 1 34 34 ILE HG22 H 1 0.66 0.04 . 1 . . . . . . . . 4100 1 250 . 1 1 34 34 ILE HG23 H 1 0.66 0.04 . 1 . . . . . . . . 4100 1 251 . 1 1 34 34 ILE HD11 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 252 . 1 1 34 34 ILE HD12 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 253 . 1 1 34 34 ILE HD13 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 254 . 1 1 34 34 ILE CA C 13 61.70 0.50 . 1 . . . . . . . . 4100 1 255 . 1 1 34 34 ILE CB C 13 36.80 0.50 . 1 . . . . . . . . 4100 1 256 . 1 1 34 34 ILE CG1 C 13 58.63 0.50 . 1 . . . . . . . . 4100 1 257 . 1 1 34 34 ILE CG2 C 13 17.50 0.50 . 1 . . . . . . . . 4100 1 258 . 1 1 34 34 ILE CD1 C 13 12.90 0.50 . 1 . . . . . . . . 4100 1 259 . 1 1 34 34 ILE N N 15 120.90 0.50 . 1 . . . . . . . . 4100 1 260 . 1 1 35 35 GLU H H 1 8.49 0.04 . 1 . . . . . . . . 4100 1 261 . 1 1 35 35 GLU HA H 1 4.39 0.04 . 1 . . . . . . . . 4100 1 262 . 1 1 35 35 GLU HB2 H 1 2.14 0.04 . 2 . . . . . . . . 4100 1 263 . 1 1 35 35 GLU HB3 H 1 1.91 0.04 . 2 . . . . . . . . 4100 1 264 . 1 1 35 35 GLU HG2 H 1 2.23 0.04 . 1 . . . . . . . . 4100 1 265 . 1 1 35 35 GLU HG3 H 1 2.23 0.04 . 1 . . . . . . . . 4100 1 266 . 1 1 35 35 GLU CA C 13 56.90 0.50 . 1 . . . . . . . . 4100 1 267 . 1 1 35 35 GLU CB C 13 31.50 0.50 . 1 . . . . . . . . 4100 1 268 . 1 1 35 35 GLU CG C 13 35.90 0.50 . 1 . . . . . . . . 4100 1 269 . 1 1 35 35 GLU N N 15 128.04 0.50 . 1 . . . . . . . . 4100 1 270 . 1 1 36 36 ARG H H 1 7.88 0.04 . 1 . . . . . . . . 4100 1 271 . 1 1 36 36 ARG HA H 1 4.43 0.04 . 1 . . . . . . . . 4100 1 272 . 1 1 36 36 ARG HB2 H 1 1.82 0.04 . 1 . . . . . . . . 4100 1 273 . 1 1 36 36 ARG HB3 H 1 1.82 0.04 . 1 . . . . . . . . 4100 1 274 . 1 1 36 36 ARG HG2 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 275 . 1 1 36 36 ARG HG3 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 276 . 1 1 36 36 ARG HD2 H 1 3.22 0.04 . 1 . . . . . . . . 4100 1 277 . 1 1 36 36 ARG HD3 H 1 3.22 0.04 . 1 . . . . . . . . 4100 1 278 . 1 1 36 36 ARG CA C 13 56.10 0.50 . 1 . . . . . . . . 4100 1 279 . 1 1 36 36 ARG CB C 13 31.20 0.50 . 1 . . . . . . . . 4100 1 280 . 1 1 36 36 ARG CG C 13 27.20 0.50 . 1 . . . . . . . . 4100 1 281 . 1 1 36 36 ARG CD C 13 43.40 0.50 . 1 . . . . . . . . 4100 1 282 . 1 1 36 36 ARG N N 15 117.70 0.50 . 1 . . . . . . . . 4100 1 283 . 1 1 37 37 ILE H H 1 8.70 0.04 . 1 . . . . . . . . 4100 1 284 . 1 1 37 37 ILE HA H 1 4.33 0.04 . 1 . . . . . . . . 4100 1 285 . 1 1 37 37 ILE HB H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 286 . 1 1 37 37 ILE HG12 H 1 1.63 0.04 . 1 . . . . . . . . 4100 1 287 . 1 1 37 37 ILE HG13 H 1 1.63 0.04 . 1 . . . . . . . . 4100 1 288 . 1 1 37 37 ILE HG21 H 1 1.12 0.04 . 1 . . . . . . . . 4100 1 289 . 1 1 37 37 ILE HG22 H 1 1.12 0.04 . 1 . . . . . . . . 4100 1 290 . 1 1 37 37 ILE HG23 H 1 1.12 0.04 . 1 . . . . . . . . 4100 1 291 . 1 1 37 37 ILE HD11 H 1 0.99 0.04 . 1 . . . . . . . . 4100 1 292 . 1 1 37 37 ILE HD12 H 1 0.99 0.04 . 1 . . . . . . . . 4100 1 293 . 1 1 37 37 ILE HD13 H 1 0.99 0.04 . 1 . . . . . . . . 4100 1 294 . 1 1 37 37 ILE CA C 13 58.90 0.50 . 1 . . . . . . . . 4100 1 295 . 1 1 37 37 ILE CB C 13 38.83 0.50 . 1 . . . . . . . . 4100 1 296 . 1 1 37 37 ILE CG1 C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 297 . 1 1 37 37 ILE CG2 C 13 18.50 0.50 . 1 . . . . . . . . 4100 1 298 . 1 1 37 37 ILE CD1 C 13 12.93 0.50 . 1 . . . . . . . . 4100 1 299 . 1 1 37 37 ILE N N 15 125.54 0.50 . 1 . . . . . . . . 4100 1 300 . 1 1 38 38 PRO HA H 1 4.64 0.04 . 1 . . . . . . . . 4100 1 301 . 1 1 38 38 PRO HB2 H 1 2.41 0.04 . 2 . . . . . . . . 4100 1 302 . 1 1 38 38 PRO HB3 H 1 2.27 0.04 . 2 . . . . . . . . 4100 1 303 . 1 1 38 38 PRO HG2 H 1 1.95 0.04 . 2 . . . . . . . . 4100 1 304 . 1 1 38 38 PRO HG3 H 1 1.87 0.04 . 2 . . . . . . . . 4100 1 305 . 1 1 38 38 PRO HD2 H 1 3.58 0.04 . 2 . . . . . . . . 4100 1 306 . 1 1 38 38 PRO HD3 H 1 3.52 0.04 . 2 . . . . . . . . 4100 1 307 . 1 1 38 38 PRO CA C 13 62.69 0.50 . 1 . . . . . . . . 4100 1 308 . 1 1 38 38 PRO CB C 13 30.20 0.50 . 1 . . . . . . . . 4100 1 309 . 1 1 38 38 PRO CG C 13 24.75 0.50 . 1 . . . . . . . . 4100 1 310 . 1 1 38 38 PRO CD C 13 50.55 0.50 . 1 . . . . . . . . 4100 1 311 . 1 1 39 39 TYR H H 1 8.48 0.04 . 1 . . . . . . . . 4100 1 312 . 1 1 39 39 TYR HA H 1 4.59 0.04 . 1 . . . . . . . . 4100 1 313 . 1 1 39 39 TYR HB2 H 1 2.57 0.04 . 1 . . . . . . . . 4100 1 314 . 1 1 39 39 TYR HB3 H 1 2.57 0.04 . 1 . . . . . . . . 4100 1 315 . 1 1 39 39 TYR CA C 13 57.60 0.50 . 1 . . . . . . . . 4100 1 316 . 1 1 39 39 TYR CB C 13 40.20 0.50 . 1 . . . . . . . . 4100 1 317 . 1 1 39 39 TYR N N 15 118.00 0.50 . 1 . . . . . . . . 4100 1 318 . 1 1 40 40 LEU H H 1 8.52 0.04 . 1 . . . . . . . . 4100 1 319 . 1 1 40 40 LEU HA H 1 4.60 0.04 . 1 . . . . . . . . 4100 1 320 . 1 1 40 40 LEU HB2 H 1 1.62 0.04 . 1 . . . . . . . . 4100 1 321 . 1 1 40 40 LEU HB3 H 1 1.62 0.04 . 1 . . . . . . . . 4100 1 322 . 1 1 40 40 LEU HG H 1 1.77 0.04 . 1 . . . . . . . . 4100 1 323 . 1 1 40 40 LEU HD11 H 1 0.98 0.04 . 2 . . . . . . . . 4100 1 324 . 1 1 40 40 LEU HD12 H 1 0.98 0.04 . 2 . . . . . . . . 4100 1 325 . 1 1 40 40 LEU HD13 H 1 0.98 0.04 . 2 . . . . . . . . 4100 1 326 . 1 1 40 40 LEU HD21 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 327 . 1 1 40 40 LEU HD22 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 328 . 1 1 40 40 LEU HD23 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 329 . 1 1 40 40 LEU CA C 13 53.80 0.50 . 1 . . . . . . . . 4100 1 330 . 1 1 40 40 LEU CB C 13 41.60 0.50 . 1 . . . . . . . . 4100 1 331 . 1 1 40 40 LEU CG C 13 27.60 0.50 . 1 . . . . . . . . 4100 1 332 . 1 1 40 40 LEU CD1 C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 333 . 1 1 40 40 LEU CD2 C 13 23.09 0.50 . 1 . . . . . . . . 4100 1 334 . 1 1 40 40 LEU N N 15 123.00 0.50 . 1 . . . . . . . . 4100 1 335 . 1 1 41 41 GLY H H 1 9.07 0.04 . 1 . . . . . . . . 4100 1 336 . 1 1 41 41 GLY HA2 H 1 4.04 0.04 . 2 . . . . . . . . 4100 1 337 . 1 1 41 41 GLY HA3 H 1 3.72 0.04 . 2 . . . . . . . . 4100 1 338 . 1 1 41 41 GLY CA C 13 47.40 0.50 . 1 . . . . . . . . 4100 1 339 . 1 1 41 41 GLY N N 15 115.70 0.50 . 1 . . . . . . . . 4100 1 340 . 1 1 42 42 PHE H H 1 8.72 0.04 . 1 . . . . . . . . 4100 1 341 . 1 1 42 42 PHE HA H 1 4.44 0.04 . 1 . . . . . . . . 4100 1 342 . 1 1 42 42 PHE HB2 H 1 3.49 0.04 . 2 . . . . . . . . 4100 1 343 . 1 1 42 42 PHE HB3 H 1 3.26 0.04 . 2 . . . . . . . . 4100 1 344 . 1 1 42 42 PHE HD1 H 1 7.33 0.04 . 1 . . . . . . . . 4100 1 345 . 1 1 42 42 PHE HD2 H 1 7.33 0.04 . 1 . . . . . . . . 4100 1 346 . 1 1 42 42 PHE HE1 H 1 7.40 0.04 . 1 . . . . . . . . 4100 1 347 . 1 1 42 42 PHE HE2 H 1 7.40 0.04 . 1 . . . . . . . . 4100 1 348 . 1 1 42 42 PHE CA C 13 59.14 0.50 . 1 . . . . . . . . 4100 1 349 . 1 1 42 42 PHE CB C 13 38.03 0.50 . 1 . . . . . . . . 4100 1 350 . 1 1 42 42 PHE N N 15 116.41 0.50 . 1 . . . . . . . . 4100 1 351 . 1 1 43 43 LYS H H 1 7.68 0.04 . 1 . . . . . . . . 4100 1 352 . 1 1 43 43 LYS HA H 1 4.70 0.04 . 1 . . . . . . . . 4100 1 353 . 1 1 43 43 LYS HB2 H 1 1.76 0.04 . 1 . . . . . . . . 4100 1 354 . 1 1 43 43 LYS HB3 H 1 1.76 0.04 . 1 . . . . . . . . 4100 1 355 . 1 1 43 43 LYS HG2 H 1 1.42 0.04 . 1 . . . . . . . . 4100 1 356 . 1 1 43 43 LYS HG3 H 1 1.42 0.04 . 1 . . . . . . . . 4100 1 357 . 1 1 43 43 LYS HD2 H 1 1.72 0.04 . 2 . . . . . . . . 4100 1 358 . 1 1 43 43 LYS HD3 H 1 1.86 0.04 . 2 . . . . . . . . 4100 1 359 . 1 1 43 43 LYS HE2 H 1 3.09 0.04 . 1 . . . . . . . . 4100 1 360 . 1 1 43 43 LYS HE3 H 1 3.09 0.04 . 1 . . . . . . . . 4100 1 361 . 1 1 43 43 LYS CA C 13 55.30 0.50 . 1 . . . . . . . . 4100 1 362 . 1 1 43 43 LYS CB C 13 28.66 0.50 . 1 . . . . . . . . 4100 1 363 . 1 1 43 43 LYS CG C 13 24.62 0.50 . 1 . . . . . . . . 4100 1 364 . 1 1 43 43 LYS CD C 13 35.08 0.50 . 1 . . . . . . . . 4100 1 365 . 1 1 43 43 LYS CE C 13 41.80 0.50 . 1 . . . . . . . . 4100 1 366 . 1 1 43 43 LYS N N 15 119.71 0.50 . 1 . . . . . . . . 4100 1 367 . 1 1 44 44 GLN H H 1 8.72 0.04 . 1 . . . . . . . . 4100 1 368 . 1 1 44 44 GLN HA H 1 3.58 0.04 . 1 . . . . . . . . 4100 1 369 . 1 1 44 44 GLN HB2 H 1 1.64 0.04 . 1 . . . . . . . . 4100 1 370 . 1 1 44 44 GLN HB3 H 1 1.64 0.04 . 1 . . . . . . . . 4100 1 371 . 1 1 44 44 GLN HG2 H 1 1.94 0.04 . 2 . . . . . . . . 4100 1 372 . 1 1 44 44 GLN HG3 H 1 1.65 0.04 . 2 . . . . . . . . 4100 1 373 . 1 1 44 44 GLN HE21 H 1 7.16 0.04 . 2 . . . . . . . . 4100 1 374 . 1 1 44 44 GLN HE22 H 1 6.38 0.04 . 2 . . . . . . . . 4100 1 375 . 1 1 44 44 GLN CA C 13 56.60 0.50 . 1 . . . . . . . . 4100 1 376 . 1 1 44 44 GLN CB C 13 29.70 0.50 . 1 . . . . . . . . 4100 1 377 . 1 1 44 44 GLN CG C 13 34.77 0.50 . 1 . . . . . . . . 4100 1 378 . 1 1 44 44 GLN N N 15 126.53 0.50 . 1 . . . . . . . . 4100 1 379 . 1 1 44 44 GLN NE2 N 15 108.65 0.50 . 1 . . . . . . . . 4100 1 380 . 1 1 45 45 ILE H H 1 8.04 0.04 . 1 . . . . . . . . 4100 1 381 . 1 1 45 45 ILE HA H 1 3.75 0.04 . 1 . . . . . . . . 4100 1 382 . 1 1 45 45 ILE HB H 1 1.55 0.04 . 1 . . . . . . . . 4100 1 383 . 1 1 45 45 ILE HG12 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 384 . 1 1 45 45 ILE HG13 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 385 . 1 1 45 45 ILE HG21 H 1 0.86 0.04 . 1 . . . . . . . . 4100 1 386 . 1 1 45 45 ILE HG22 H 1 0.86 0.04 . 1 . . . . . . . . 4100 1 387 . 1 1 45 45 ILE HG23 H 1 0.86 0.04 . 1 . . . . . . . . 4100 1 388 . 1 1 45 45 ILE HD11 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 389 . 1 1 45 45 ILE HD12 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 390 . 1 1 45 45 ILE HD13 H 1 0.58 0.04 . 1 . . . . . . . . 4100 1 391 . 1 1 45 45 ILE CA C 13 63.70 0.50 . 1 . . . . . . . . 4100 1 392 . 1 1 45 45 ILE CB C 13 39.80 0.50 . 1 . . . . . . . . 4100 1 393 . 1 1 45 45 ILE CG1 C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 394 . 1 1 45 45 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 4100 1 395 . 1 1 45 45 ILE CD1 C 13 13.90 0.50 . 1 . . . . . . . . 4100 1 396 . 1 1 45 45 ILE N N 15 125.55 0.50 . 1 . . . . . . . . 4100 1 397 . 1 1 46 46 ASN H H 1 7.86 0.04 . 1 . . . . . . . . 4100 1 398 . 1 1 46 46 ASN HA H 1 3.90 0.04 . 1 . . . . . . . . 4100 1 399 . 1 1 46 46 ASN HB2 H 1 3.32 0.04 . 1 . . . . . . . . 4100 1 400 . 1 1 46 46 ASN HB3 H 1 3.32 0.04 . 1 . . . . . . . . 4100 1 401 . 1 1 46 46 ASN HD21 H 1 7.58 0.04 . 1 . . . . . . . . 4100 1 402 . 1 1 46 46 ASN HD22 H 1 6.86 0.04 . 1 . . . . . . . . 4100 1 403 . 1 1 46 46 ASN CA C 13 62.30 0.50 . 1 . . . . . . . . 4100 1 404 . 1 1 46 46 ASN CB C 13 37.16 0.50 . 1 . . . . . . . . 4100 1 405 . 1 1 46 46 ASN N N 15 120.50 0.50 . 1 . . . . . . . . 4100 1 406 . 1 1 46 46 ASN ND2 N 15 111.73 0.50 . 1 . . . . . . . . 4100 1 407 . 1 1 47 47 LEU H H 1 8.96 0.04 . 1 . . . . . . . . 4100 1 408 . 1 1 47 47 LEU HA H 1 4.00 0.04 . 1 . . . . . . . . 4100 1 409 . 1 1 47 47 LEU HB2 H 1 2.06 0.04 . 1 . . . . . . . . 4100 1 410 . 1 1 47 47 LEU HB3 H 1 2.06 0.04 . 1 . . . . . . . . 4100 1 411 . 1 1 47 47 LEU HG H 1 1.95 0.04 . 1 . . . . . . . . 4100 1 412 . 1 1 47 47 LEU HD11 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 413 . 1 1 47 47 LEU HD12 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 414 . 1 1 47 47 LEU HD13 H 1 1.06 0.04 . 2 . . . . . . . . 4100 1 415 . 1 1 47 47 LEU HD21 H 1 0.92 0.04 . 2 . . . . . . . . 4100 1 416 . 1 1 47 47 LEU HD22 H 1 0.92 0.04 . 2 . . . . . . . . 4100 1 417 . 1 1 47 47 LEU HD23 H 1 0.92 0.04 . 2 . . . . . . . . 4100 1 418 . 1 1 47 47 LEU CA C 13 58.30 0.50 . 1 . . . . . . . . 4100 1 419 . 1 1 47 47 LEU CB C 13 42.40 0.50 . 1 . . . . . . . . 4100 1 420 . 1 1 47 47 LEU CG C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 421 . 1 1 47 47 LEU CD1 C 13 26.14 0.50 . 1 . . . . . . . . 4100 1 422 . 1 1 47 47 LEU CD2 C 13 23.60 0.50 . 1 . . . . . . . . 4100 1 423 . 1 1 47 47 LEU N N 15 126.15 0.50 . 1 . . . . . . . . 4100 1 424 . 1 1 48 48 TRP H H 1 8.28 0.04 . 1 . . . . . . . . 4100 1 425 . 1 1 48 48 TRP HA H 1 4.50 0.04 . 1 . . . . . . . . 4100 1 426 . 1 1 48 48 TRP HB2 H 1 3.28 0.04 . 1 . . . . . . . . 4100 1 427 . 1 1 48 48 TRP HB3 H 1 3.28 0.04 . 1 . . . . . . . . 4100 1 428 . 1 1 48 48 TRP HE1 H 1 9.97 0.04 . 1 . . . . . . . . 4100 1 429 . 1 1 48 48 TRP CA C 13 59.10 0.50 . 1 . . . . . . . . 4100 1 430 . 1 1 48 48 TRP CB C 13 43.02 0.50 . 1 . . . . . . . . 4100 1 431 . 1 1 48 48 TRP N N 15 118.60 0.50 . 1 . . . . . . . . 4100 1 432 . 1 1 48 48 TRP NE1 N 15 128.69 0.50 . 1 . . . . . . . . 4100 1 433 . 1 1 49 49 THR H H 1 8.17 0.04 . 1 . . . . . . . . 4100 1 434 . 1 1 49 49 THR HA H 1 3.58 0.04 . 1 . . . . . . . . 4100 1 435 . 1 1 49 49 THR HB H 1 4.13 0.04 . 1 . . . . . . . . 4100 1 436 . 1 1 49 49 THR HG21 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 437 . 1 1 49 49 THR HG22 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 438 . 1 1 49 49 THR HG23 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 439 . 1 1 49 49 THR CA C 13 66.78 0.50 . 1 . . . . . . . . 4100 1 440 . 1 1 49 49 THR CB C 13 68.60 0.50 . 1 . . . . . . . . 4100 1 441 . 1 1 49 49 THR CG2 C 13 22.57 0.50 . 1 . . . . . . . . 4100 1 442 . 1 1 49 49 THR N N 15 115.90 0.50 . 1 . . . . . . . . 4100 1 443 . 1 1 50 50 MET H H 1 8.47 0.04 . 1 . . . . . . . . 4100 1 444 . 1 1 50 50 MET HA H 1 3.84 0.04 . 1 . . . . . . . . 4100 1 445 . 1 1 50 50 MET HB2 H 1 2.16 0.04 . 1 . . . . . . . . 4100 1 446 . 1 1 50 50 MET HB3 H 1 2.16 0.04 . 1 . . . . . . . . 4100 1 447 . 1 1 50 50 MET HG2 H 1 2.61 0.04 . 1 . . . . . . . . 4100 1 448 . 1 1 50 50 MET HG3 H 1 2.61 0.04 . 1 . . . . . . . . 4100 1 449 . 1 1 50 50 MET HE1 H 1 2.30 0.04 . 1 . . . . . . . . 4100 1 450 . 1 1 50 50 MET HE2 H 1 2.30 0.04 . 1 . . . . . . . . 4100 1 451 . 1 1 50 50 MET HE3 H 1 2.30 0.04 . 1 . . . . . . . . 4100 1 452 . 1 1 50 50 MET CA C 13 61.40 0.50 . 1 . . . . . . . . 4100 1 453 . 1 1 50 50 MET CB C 13 28.68 0.50 . 1 . . . . . . . . 4100 1 454 . 1 1 50 50 MET CG C 13 37.31 0.50 . 1 . . . . . . . . 4100 1 455 . 1 1 50 50 MET CE C 13 20.04 0.50 . 1 . . . . . . . . 4100 1 456 . 1 1 50 50 MET N N 15 120.17 0.50 . 1 . . . . . . . . 4100 1 457 . 1 1 51 51 PHE H H 1 8.48 0.04 . 1 . . . . . . . . 4100 1 458 . 1 1 51 51 PHE HA H 1 4.52 0.04 . 1 . . . . . . . . 4100 1 459 . 1 1 51 51 PHE HB2 H 1 3.35 0.04 . 2 . . . . . . . . 4100 1 460 . 1 1 51 51 PHE HB3 H 1 2.84 0.04 . 2 . . . . . . . . 4100 1 461 . 1 1 51 51 PHE CA C 13 62.50 0.50 . 1 . . . . . . . . 4100 1 462 . 1 1 51 51 PHE CB C 13 40.30 0.50 . 1 . . . . . . . . 4100 1 463 . 1 1 51 51 PHE N N 15 118.46 0.50 . 1 . . . . . . . . 4100 1 464 . 1 1 52 52 GLN H H 1 8.70 0.04 . 1 . . . . . . . . 4100 1 465 . 1 1 52 52 GLN HA H 1 3.36 0.04 . 1 . . . . . . . . 4100 1 466 . 1 1 52 52 GLN HB2 H 1 1.05 0.04 . 1 . . . . . . . . 4100 1 467 . 1 1 52 52 GLN HB3 H 1 1.05 0.04 . 1 . . . . . . . . 4100 1 468 . 1 1 52 52 GLN HG2 H 1 1.42 0.04 . 2 . . . . . . . . 4100 1 469 . 1 1 52 52 GLN HG3 H 1 1.34 0.04 . 2 . . . . . . . . 4100 1 470 . 1 1 52 52 GLN HE21 H 1 6.63 0.04 . 2 . . . . . . . . 4100 1 471 . 1 1 52 52 GLN HE22 H 1 5.86 0.04 . 2 . . . . . . . . 4100 1 472 . 1 1 52 52 GLN CA C 13 58.63 0.50 . 1 . . . . . . . . 4100 1 473 . 1 1 52 52 GLN CB C 13 32.70 0.50 . 1 . . . . . . . . 4100 1 474 . 1 1 52 52 GLN CG C 13 29.18 0.50 . 1 . . . . . . . . 4100 1 475 . 1 1 52 52 GLN N N 15 117.70 0.50 . 1 . . . . . . . . 4100 1 476 . 1 1 52 52 GLN NE2 N 15 110.79 0.50 . 1 . . . . . . . . 4100 1 477 . 1 1 53 53 ALA H H 1 8.48 0.04 . 1 . . . . . . . . 4100 1 478 . 1 1 53 53 ALA HA H 1 3.94 0.04 . 1 . . . . . . . . 4100 1 479 . 1 1 53 53 ALA HB1 H 1 1.37 0.04 . 1 . . . . . . . . 4100 1 480 . 1 1 53 53 ALA HB2 H 1 1.37 0.04 . 1 . . . . . . . . 4100 1 481 . 1 1 53 53 ALA HB3 H 1 1.37 0.04 . 1 . . . . . . . . 4100 1 482 . 1 1 53 53 ALA CA C 13 55.10 0.50 . 1 . . . . . . . . 4100 1 483 . 1 1 53 53 ALA CB C 13 17.70 0.50 . 1 . . . . . . . . 4100 1 484 . 1 1 53 53 ALA N N 15 121.65 0.50 . 1 . . . . . . . . 4100 1 485 . 1 1 54 54 ALA H H 1 7.78 0.04 . 1 . . . . . . . . 4100 1 486 . 1 1 54 54 ALA HA H 1 3.89 0.04 . 1 . . . . . . . . 4100 1 487 . 1 1 54 54 ALA HB1 H 1 1.40 0.04 . 1 . . . . . . . . 4100 1 488 . 1 1 54 54 ALA HB2 H 1 1.40 0.04 . 1 . . . . . . . . 4100 1 489 . 1 1 54 54 ALA HB3 H 1 1.40 0.04 . 1 . . . . . . . . 4100 1 490 . 1 1 54 54 ALA CA C 13 54.00 0.50 . 1 . . . . . . . . 4100 1 491 . 1 1 54 54 ALA CB C 13 19.50 0.50 . 1 . . . . . . . . 4100 1 492 . 1 1 54 54 ALA N N 15 117.70 0.50 . 1 . . . . . . . . 4100 1 493 . 1 1 55 55 GLN H H 1 8.38 0.04 . 1 . . . . . . . . 4100 1 494 . 1 1 55 55 GLN HA H 1 3.63 0.04 . 1 . . . . . . . . 4100 1 495 . 1 1 55 55 GLN HB2 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 496 . 1 1 55 55 GLN HB3 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 497 . 1 1 55 55 GLN HG2 H 1 1.64 0.04 . 2 . . . . . . . . 4100 1 498 . 1 1 55 55 GLN HG3 H 1 1.54 0.04 . 2 . . . . . . . . 4100 1 499 . 1 1 55 55 GLN HE21 H 1 6.91 0.04 . 2 . . . . . . . . 4100 1 500 . 1 1 55 55 GLN HE22 H 1 6.44 0.04 . 2 . . . . . . . . 4100 1 501 . 1 1 55 55 GLN CA C 13 58.55 0.50 . 1 . . . . . . . . 4100 1 502 . 1 1 55 55 GLN CB C 13 27.52 0.50 . 1 . . . . . . . . 4100 1 503 . 1 1 55 55 GLN CG C 13 33.20 0.50 . 1 . . . . . . . . 4100 1 504 . 1 1 55 55 GLN N N 15 118.65 0.50 . 1 . . . . . . . . 4100 1 505 . 1 1 55 55 GLN NE2 N 15 113.73 0.50 . 1 . . . . . . . . 4100 1 506 . 1 1 56 56 LYS H H 1 7.68 0.04 . 1 . . . . . . . . 4100 1 507 . 1 1 56 56 LYS HA H 1 3.95 0.04 . 1 . . . . . . . . 4100 1 508 . 1 1 56 56 LYS HB2 H 1 1.79 0.04 . 1 . . . . . . . . 4100 1 509 . 1 1 56 56 LYS HB3 H 1 1.79 0.04 . 1 . . . . . . . . 4100 1 510 . 1 1 56 56 LYS HG2 H 1 1.47 0.04 . 1 . . . . . . . . 4100 1 511 . 1 1 56 56 LYS HG3 H 1 1.47 0.04 . 1 . . . . . . . . 4100 1 512 . 1 1 56 56 LYS HD2 H 1 1.76 0.04 . 1 . . . . . . . . 4100 1 513 . 1 1 56 56 LYS HD3 H 1 1.76 0.04 . 1 . . . . . . . . 4100 1 514 . 1 1 56 56 LYS HE2 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 515 . 1 1 56 56 LYS HE3 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 516 . 1 1 56 56 LYS CA C 13 58.80 0.50 . 1 . . . . . . . . 4100 1 517 . 1 1 56 56 LYS CB C 13 31.80 0.50 . 1 . . . . . . . . 4100 1 518 . 1 1 56 56 LYS CG C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 519 . 1 1 56 56 LYS CD C 13 29.10 0.50 . 1 . . . . . . . . 4100 1 520 . 1 1 56 56 LYS CE C 13 42.10 0.50 . 1 . . . . . . . . 4100 1 521 . 1 1 56 56 LYS N N 15 120.17 0.50 . 1 . . . . . . . . 4100 1 522 . 1 1 57 57 LEU H H 1 6.72 0.04 . 1 . . . . . . . . 4100 1 523 . 1 1 57 57 LEU HA H 1 4.28 0.04 . 1 . . . . . . . . 4100 1 524 . 1 1 57 57 LEU HB2 H 1 1.53 0.04 . 2 . . . . . . . . 4100 1 525 . 1 1 57 57 LEU HB3 H 1 1.39 0.04 . 2 . . . . . . . . 4100 1 526 . 1 1 57 57 LEU HG H 1 1.55 0.04 . 1 . . . . . . . . 4100 1 527 . 1 1 57 57 LEU HD11 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 528 . 1 1 57 57 LEU HD12 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 529 . 1 1 57 57 LEU HD13 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 530 . 1 1 57 57 LEU HD21 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 531 . 1 1 57 57 LEU HD22 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 532 . 1 1 57 57 LEU HD23 H 1 0.60 0.04 . 1 . . . . . . . . 4100 1 533 . 1 1 57 57 LEU CA C 13 54.30 0.50 . 1 . . . . . . . . 4100 1 534 . 1 1 57 57 LEU CB C 13 42.12 0.50 . 1 . . . . . . . . 4100 1 535 . 1 1 57 57 LEU CG C 13 26.64 0.50 . 1 . . . . . . . . 4100 1 536 . 1 1 57 57 LEU CD1 C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 537 . 1 1 57 57 LEU CD2 C 13 22.59 0.50 . 1 . . . . . . . . 4100 1 538 . 1 1 57 57 LEU N N 15 116.35 0.50 . 1 . . . . . . . . 4100 1 539 . 1 1 58 58 GLY H H 1 7.32 0.04 . 1 . . . . . . . . 4100 1 540 . 1 1 58 58 GLY HA2 H 1 4.38 0.04 . 2 . . . . . . . . 4100 1 541 . 1 1 58 58 GLY HA3 H 1 3.65 0.04 . 2 . . . . . . . . 4100 1 542 . 1 1 58 58 GLY CA C 13 45.56 0.50 . 1 . . . . . . . . 4100 1 543 . 1 1 58 58 GLY N N 15 103.88 0.50 . 1 . . . . . . . . 4100 1 544 . 1 1 59 59 GLY H H 1 7.97 0.04 . 1 . . . . . . . . 4100 1 545 . 1 1 59 59 GLY HA2 H 1 4.48 0.04 . 1 . . . . . . . . 4100 1 546 . 1 1 59 59 GLY HA3 H 1 4.48 0.04 . 1 . . . . . . . . 4100 1 547 . 1 1 59 59 GLY CA C 13 44.76 0.50 . 1 . . . . . . . . 4100 1 548 . 1 1 59 59 GLY N N 15 108.66 0.50 . 1 . . . . . . . . 4100 1 549 . 1 1 60 60 TYR H H 1 9.63 0.04 . 1 . . . . . . . . 4100 1 550 . 1 1 60 60 TYR HA H 1 3.83 0.04 . 1 . . . . . . . . 4100 1 551 . 1 1 60 60 TYR HB2 H 1 3.14 0.04 . 2 . . . . . . . . 4100 1 552 . 1 1 60 60 TYR HB3 H 1 3.06 0.04 . 2 . . . . . . . . 4100 1 553 . 1 1 60 60 TYR CA C 13 63.33 0.50 . 1 . . . . . . . . 4100 1 554 . 1 1 60 60 TYR CB C 13 41.60 0.50 . 1 . . . . . . . . 4100 1 555 . 1 1 60 60 TYR N N 15 118.90 0.50 . 1 . . . . . . . . 4100 1 556 . 1 1 61 61 GLU H H 1 9.44 0.04 . 1 . . . . . . . . 4100 1 557 . 1 1 61 61 GLU HA H 1 3.83 0.04 . 1 . . . . . . . . 4100 1 558 . 1 1 61 61 GLU HB2 H 1 2.16 0.04 . 2 . . . . . . . . 4100 1 559 . 1 1 61 61 GLU HB3 H 1 2.02 0.04 . 2 . . . . . . . . 4100 1 560 . 1 1 61 61 GLU HG2 H 1 2.36 0.04 . 1 . . . . . . . . 4100 1 561 . 1 1 61 61 GLU HG3 H 1 2.36 0.04 . 1 . . . . . . . . 4100 1 562 . 1 1 61 61 GLU CA C 13 60.60 0.50 . 1 . . . . . . . . 4100 1 563 . 1 1 61 61 GLU CB C 13 28.32 0.50 . 1 . . . . . . . . 4100 1 564 . 1 1 61 61 GLU CG C 13 33.25 0.50 . 1 . . . . . . . . 4100 1 565 . 1 1 61 61 GLU N N 15 120.71 0.50 . 1 . . . . . . . . 4100 1 566 . 1 1 62 62 THR H H 1 8.00 0.04 . 1 . . . . . . . . 4100 1 567 . 1 1 62 62 THR HA H 1 3.87 0.04 . 1 . . . . . . . . 4100 1 568 . 1 1 62 62 THR HB H 1 3.85 0.04 . 1 . . . . . . . . 4100 1 569 . 1 1 62 62 THR HG21 H 1 1.19 0.04 . 1 . . . . . . . . 4100 1 570 . 1 1 62 62 THR HG22 H 1 1.19 0.04 . 1 . . . . . . . . 4100 1 571 . 1 1 62 62 THR HG23 H 1 1.19 0.04 . 1 . . . . . . . . 4100 1 572 . 1 1 62 62 THR CA C 13 66.60 0.50 . 1 . . . . . . . . 4100 1 573 . 1 1 62 62 THR CB C 13 68.60 0.50 . 1 . . . . . . . . 4100 1 574 . 1 1 62 62 THR CG2 C 13 22.10 0.50 . 1 . . . . . . . . 4100 1 575 . 1 1 62 62 THR N N 15 118.90 0.50 . 1 . . . . . . . . 4100 1 576 . 1 1 63 63 ILE H H 1 7.96 0.04 . 1 . . . . . . . . 4100 1 577 . 1 1 63 63 ILE HA H 1 3.12 0.04 . 1 . . . . . . . . 4100 1 578 . 1 1 63 63 ILE HB H 1 0.53 0.04 . 1 . . . . . . . . 4100 1 579 . 1 1 63 63 ILE HG12 H 1 1.27 0.04 . 2 . . . . . . . . 4100 1 580 . 1 1 63 63 ILE HG13 H 1 0.16 0.04 . 2 . . . . . . . . 4100 1 581 . 1 1 63 63 ILE HG21 H 1 -1.34 0.04 . 1 . . . . . . . . 4100 1 582 . 1 1 63 63 ILE HG22 H 1 -1.34 0.04 . 1 . . . . . . . . 4100 1 583 . 1 1 63 63 ILE HG23 H 1 -1.34 0.04 . 1 . . . . . . . . 4100 1 584 . 1 1 63 63 ILE HD11 H 1 0.15 0.04 . 1 . . . . . . . . 4100 1 585 . 1 1 63 63 ILE HD12 H 1 0.15 0.04 . 1 . . . . . . . . 4100 1 586 . 1 1 63 63 ILE HD13 H 1 0.15 0.04 . 1 . . . . . . . . 4100 1 587 . 1 1 63 63 ILE CA C 13 64.70 0.50 . 1 . . . . . . . . 4100 1 588 . 1 1 63 63 ILE CB C 13 38.70 0.50 . 1 . . . . . . . . 4100 1 589 . 1 1 63 63 ILE CG1 C 13 29.20 0.50 . 1 . . . . . . . . 4100 1 590 . 1 1 63 63 ILE CG2 C 13 14.90 0.50 . 1 . . . . . . . . 4100 1 591 . 1 1 63 63 ILE CD1 C 13 14.50 0.50 . 1 . . . . . . . . 4100 1 592 . 1 1 63 63 ILE N N 15 121.65 0.50 . 1 . . . . . . . . 4100 1 593 . 1 1 64 64 THR H H 1 7.83 0.04 . 1 . . . . . . . . 4100 1 594 . 1 1 64 64 THR HA H 1 4.03 0.04 . 1 . . . . . . . . 4100 1 595 . 1 1 64 64 THR HB H 1 4.03 0.04 . 1 . . . . . . . . 4100 1 596 . 1 1 64 64 THR HG21 H 1 1.28 0.04 . 1 . . . . . . . . 4100 1 597 . 1 1 64 64 THR HG22 H 1 1.28 0.04 . 1 . . . . . . . . 4100 1 598 . 1 1 64 64 THR HG23 H 1 1.28 0.04 . 1 . . . . . . . . 4100 1 599 . 1 1 64 64 THR CA C 13 67.00 0.50 . 1 . . . . . . . . 4100 1 600 . 1 1 64 64 THR CB C 13 68.60 0.50 . 1 . . . . . . . . 4100 1 601 . 1 1 64 64 THR CG2 C 13 21.08 0.50 . 1 . . . . . . . . 4100 1 602 . 1 1 64 64 THR N N 15 114.90 0.50 . 1 . . . . . . . . 4100 1 603 . 1 1 65 65 ALA H H 1 8.24 0.04 . 1 . . . . . . . . 4100 1 604 . 1 1 65 65 ALA HA H 1 4.11 0.04 . 1 . . . . . . . . 4100 1 605 . 1 1 65 65 ALA HB1 H 1 1.55 0.04 . 1 . . . . . . . . 4100 1 606 . 1 1 65 65 ALA HB2 H 1 1.55 0.04 . 1 . . . . . . . . 4100 1 607 . 1 1 65 65 ALA HB3 H 1 1.55 0.04 . 1 . . . . . . . . 4100 1 608 . 1 1 65 65 ALA CA C 13 55.90 0.50 . 1 . . . . . . . . 4100 1 609 . 1 1 65 65 ALA CB C 13 17.90 0.50 . 1 . . . . . . . . 4100 1 610 . 1 1 65 65 ALA N N 15 125.52 0.50 . 1 . . . . . . . . 4100 1 611 . 1 1 66 66 ARG H H 1 8.05 0.04 . 1 . . . . . . . . 4100 1 612 . 1 1 66 66 ARG HA H 1 4.20 0.04 . 1 . . . . . . . . 4100 1 613 . 1 1 66 66 ARG HB2 H 1 1.52 0.04 . 1 . . . . . . . . 4100 1 614 . 1 1 66 66 ARG HB3 H 1 1.52 0.04 . 1 . . . . . . . . 4100 1 615 . 1 1 66 66 ARG HG2 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 616 . 1 1 66 66 ARG HG3 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 617 . 1 1 66 66 ARG HD2 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 618 . 1 1 66 66 ARG HD3 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 619 . 1 1 66 66 ARG CA C 13 56.60 0.50 . 1 . . . . . . . . 4100 1 620 . 1 1 66 66 ARG CB C 13 29.90 0.50 . 1 . . . . . . . . 4100 1 621 . 1 1 66 66 ARG CG C 13 29.20 0.50 . 1 . . . . . . . . 4100 1 622 . 1 1 66 66 ARG CD C 13 41.88 0.50 . 1 . . . . . . . . 4100 1 623 . 1 1 66 66 ARG N N 15 113.70 0.50 . 1 . . . . . . . . 4100 1 624 . 1 1 67 67 ARG H H 1 7.82 0.04 . 1 . . . . . . . . 4100 1 625 . 1 1 67 67 ARG HA H 1 4.26 0.04 . 1 . . . . . . . . 4100 1 626 . 1 1 67 67 ARG HB2 H 1 2.15 0.04 . 2 . . . . . . . . 4100 1 627 . 1 1 67 67 ARG HB3 H 1 1.99 0.04 . 2 . . . . . . . . 4100 1 628 . 1 1 67 67 ARG HG2 H 1 1.69 0.04 . 1 . . . . . . . . 4100 1 629 . 1 1 67 67 ARG HG3 H 1 1.69 0.04 . 1 . . . . . . . . 4100 1 630 . 1 1 67 67 ARG HD2 H 1 3.31 0.04 . 1 . . . . . . . . 4100 1 631 . 1 1 67 67 ARG HD3 H 1 3.31 0.04 . 1 . . . . . . . . 4100 1 632 . 1 1 67 67 ARG CA C 13 57.40 0.50 . 1 . . . . . . . . 4100 1 633 . 1 1 67 67 ARG CB C 13 26.60 0.50 . 1 . . . . . . . . 4100 1 634 . 1 1 67 67 ARG CG C 13 27.50 0.50 . 1 . . . . . . . . 4100 1 635 . 1 1 67 67 ARG CD C 13 43.38 0.50 . 1 . . . . . . . . 4100 1 636 . 1 1 67 67 ARG N N 15 117.60 0.50 . 1 . . . . . . . . 4100 1 637 . 1 1 68 68 GLN H H 1 8.12 0.04 . 1 . . . . . . . . 4100 1 638 . 1 1 68 68 GLN HA H 1 4.65 0.04 . 1 . . . . . . . . 4100 1 639 . 1 1 68 68 GLN HB2 H 1 1.74 0.04 . 1 . . . . . . . . 4100 1 640 . 1 1 68 68 GLN HB3 H 1 1.74 0.04 . 1 . . . . . . . . 4100 1 641 . 1 1 68 68 GLN HG2 H 1 2.25 0.04 . 1 . . . . . . . . 4100 1 642 . 1 1 68 68 GLN HG3 H 1 2.25 0.04 . 1 . . . . . . . . 4100 1 643 . 1 1 68 68 GLN HE21 H 1 7.55 0.04 . 2 . . . . . . . . 4100 1 644 . 1 1 68 68 GLN HE22 H 1 6.94 0.04 . 2 . . . . . . . . 4100 1 645 . 1 1 68 68 GLN CA C 13 55.37 0.50 . 1 . . . . . . . . 4100 1 646 . 1 1 68 68 GLN CB C 13 29.10 0.50 . 1 . . . . . . . . 4100 1 647 . 1 1 68 68 GLN CG C 13 32.67 0.50 . 1 . . . . . . . . 4100 1 648 . 1 1 68 68 GLN N N 15 115.37 0.50 . 1 . . . . . . . . 4100 1 649 . 1 1 68 68 GLN NE2 N 15 112.55 0.50 . 1 . . . . . . . . 4100 1 650 . 1 1 69 69 TRP H H 1 7.99 0.04 . 1 . . . . . . . . 4100 1 651 . 1 1 69 69 TRP HA H 1 4.04 0.04 . 1 . . . . . . . . 4100 1 652 . 1 1 69 69 TRP HB2 H 1 3.46 0.04 . 1 . . . . . . . . 4100 1 653 . 1 1 69 69 TRP HB3 H 1 3.46 0.04 . 1 . . . . . . . . 4100 1 654 . 1 1 69 69 TRP HE1 H 1 10.01 0.04 . 1 . . . . . . . . 4100 1 655 . 1 1 69 69 TRP CA C 13 61.70 0.50 . 1 . . . . . . . . 4100 1 656 . 1 1 69 69 TRP CB C 13 28.70 0.50 . 1 . . . . . . . . 4100 1 657 . 1 1 69 69 TRP N N 15 120.90 0.50 . 1 . . . . . . . . 4100 1 658 . 1 1 69 69 TRP NE1 N 15 128.69 0.50 . 1 . . . . . . . . 4100 1 659 . 1 1 70 70 LYS H H 1 9.07 0.04 . 1 . . . . . . . . 4100 1 660 . 1 1 70 70 LYS HA H 1 4.00 0.04 . 1 . . . . . . . . 4100 1 661 . 1 1 70 70 LYS HB2 H 1 2.01 0.04 . 1 . . . . . . . . 4100 1 662 . 1 1 70 70 LYS HB3 H 1 2.01 0.04 . 1 . . . . . . . . 4100 1 663 . 1 1 70 70 LYS HG2 H 1 1.58 0.04 . 1 . . . . . . . . 4100 1 664 . 1 1 70 70 LYS HG3 H 1 1.58 0.04 . 1 . . . . . . . . 4100 1 665 . 1 1 70 70 LYS HD2 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 666 . 1 1 70 70 LYS HD3 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 667 . 1 1 70 70 LYS HE2 H 1 3.01 0.04 . 1 . . . . . . . . 4100 1 668 . 1 1 70 70 LYS HE3 H 1 3.01 0.04 . 1 . . . . . . . . 4100 1 669 . 1 1 70 70 LYS CA C 13 59.30 0.50 . 1 . . . . . . . . 4100 1 670 . 1 1 70 70 LYS CB C 13 32.20 0.50 . 1 . . . . . . . . 4100 1 671 . 1 1 70 70 LYS CG C 13 25.12 0.50 . 1 . . . . . . . . 4100 1 672 . 1 1 70 70 LYS CD C 13 32.20 0.50 . 1 . . . . . . . . 4100 1 673 . 1 1 70 70 LYS CE C 13 41.90 0.50 . 1 . . . . . . . . 4100 1 674 . 1 1 70 70 LYS N N 15 119.50 0.50 . 1 . . . . . . . . 4100 1 675 . 1 1 71 71 HIS H H 1 7.68 0.04 . 1 . . . . . . . . 4100 1 676 . 1 1 71 71 HIS HA H 1 4.48 0.04 . 1 . . . . . . . . 4100 1 677 . 1 1 71 71 HIS HB2 H 1 3.28 0.04 . 1 . . . . . . . . 4100 1 678 . 1 1 71 71 HIS HB3 H 1 3.28 0.04 . 1 . . . . . . . . 4100 1 679 . 1 1 71 71 HIS HD2 H 1 6.92 0.04 . 1 . . . . . . . . 4100 1 680 . 1 1 71 71 HIS HE1 H 1 8.25 0.04 . 1 . . . . . . . . 4100 1 681 . 1 1 71 71 HIS CA C 13 59.30 0.50 . 1 . . . . . . . . 4100 1 682 . 1 1 71 71 HIS CB C 13 28.00 0.50 . 1 . . . . . . . . 4100 1 683 . 1 1 71 71 HIS N N 15 116.60 0.50 . 1 . . . . . . . . 4100 1 684 . 1 1 72 72 ILE H H 1 7.18 0.04 . 1 . . . . . . . . 4100 1 685 . 1 1 72 72 ILE HA H 1 3.67 0.04 . 1 . . . . . . . . 4100 1 686 . 1 1 72 72 ILE HB H 1 2.63 0.04 . 1 . . . . . . . . 4100 1 687 . 1 1 72 72 ILE HG12 H 1 1.25 0.04 . 1 . . . . . . . . 4100 1 688 . 1 1 72 72 ILE HG13 H 1 1.25 0.04 . 1 . . . . . . . . 4100 1 689 . 1 1 72 72 ILE HG21 H 1 1.06 0.04 . 1 . . . . . . . . 4100 1 690 . 1 1 72 72 ILE HG22 H 1 1.06 0.04 . 1 . . . . . . . . 4100 1 691 . 1 1 72 72 ILE HG23 H 1 1.06 0.04 . 1 . . . . . . . . 4100 1 692 . 1 1 72 72 ILE HD11 H 1 0.50 0.04 . 1 . . . . . . . . 4100 1 693 . 1 1 72 72 ILE HD12 H 1 0.50 0.04 . 1 . . . . . . . . 4100 1 694 . 1 1 72 72 ILE HD13 H 1 0.50 0.04 . 1 . . . . . . . . 4100 1 695 . 1 1 72 72 ILE CA C 13 62.70 0.50 . 1 . . . . . . . . 4100 1 696 . 1 1 72 72 ILE CB C 13 36.00 0.50 . 1 . . . . . . . . 4100 1 697 . 1 1 72 72 ILE CG1 C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 698 . 1 1 72 72 ILE CG2 C 13 17.50 0.50 . 1 . . . . . . . . 4100 1 699 . 1 1 72 72 ILE CD1 C 13 9.88 0.50 . 1 . . . . . . . . 4100 1 700 . 1 1 72 72 ILE N N 15 117.60 0.50 . 1 . . . . . . . . 4100 1 701 . 1 1 73 73 TYR H H 1 7.84 0.04 . 1 . . . . . . . . 4100 1 702 . 1 1 73 73 TYR HA H 1 3.91 0.04 . 1 . . . . . . . . 4100 1 703 . 1 1 73 73 TYR HB2 H 1 3.59 0.04 . 2 . . . . . . . . 4100 1 704 . 1 1 73 73 TYR HB3 H 1 3.36 0.04 . 2 . . . . . . . . 4100 1 705 . 1 1 73 73 TYR CA C 13 62.50 0.50 . 1 . . . . . . . . 4100 1 706 . 1 1 73 73 TYR CB C 13 37.07 0.50 . 1 . . . . . . . . 4100 1 707 . 1 1 73 73 TYR N N 15 120.66 0.50 . 1 . . . . . . . . 4100 1 708 . 1 1 74 74 ASP H H 1 8.69 0.04 . 1 . . . . . . . . 4100 1 709 . 1 1 74 74 ASP HA H 1 4.33 0.04 . 1 . . . . . . . . 4100 1 710 . 1 1 74 74 ASP HB2 H 1 2.73 0.04 . 1 . . . . . . . . 4100 1 711 . 1 1 74 74 ASP HB3 H 1 2.73 0.04 . 1 . . . . . . . . 4100 1 712 . 1 1 74 74 ASP CA C 13 56.96 0.50 . 1 . . . . . . . . 4100 1 713 . 1 1 74 74 ASP CB C 13 40.30 0.50 . 1 . . . . . . . . 4100 1 714 . 1 1 74 74 ASP N N 15 119.50 0.50 . 1 . . . . . . . . 4100 1 715 . 1 1 75 75 GLU H H 1 8.01 0.04 . 1 . . . . . . . . 4100 1 716 . 1 1 75 75 GLU HA H 1 4.07 0.04 . 1 . . . . . . . . 4100 1 717 . 1 1 75 75 GLU HB2 H 1 2.12 0.04 . 2 . . . . . . . . 4100 1 718 . 1 1 75 75 GLU HB3 H 1 2.00 0.04 . 2 . . . . . . . . 4100 1 719 . 1 1 75 75 GLU HG2 H 1 2.20 0.04 . 1 . . . . . . . . 4100 1 720 . 1 1 75 75 GLU HG3 H 1 2.20 0.04 . 1 . . . . . . . . 4100 1 721 . 1 1 75 75 GLU CA C 13 59.35 0.50 . 1 . . . . . . . . 4100 1 722 . 1 1 75 75 GLU CB C 13 29.30 0.50 . 1 . . . . . . . . 4100 1 723 . 1 1 75 75 GLU CG C 13 35.70 0.50 . 1 . . . . . . . . 4100 1 724 . 1 1 75 75 GLU N N 15 121.90 0.50 . 1 . . . . . . . . 4100 1 725 . 1 1 76 76 LEU H H 1 7.74 0.04 . 1 . . . . . . . . 4100 1 726 . 1 1 76 76 LEU HA H 1 4.24 0.04 . 1 . . . . . . . . 4100 1 727 . 1 1 76 76 LEU HB2 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 728 . 1 1 76 76 LEU HB3 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 729 . 1 1 76 76 LEU HG H 1 1.93 0.04 . 1 . . . . . . . . 4100 1 730 . 1 1 76 76 LEU HD11 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 731 . 1 1 76 76 LEU HD12 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 732 . 1 1 76 76 LEU HD13 H 1 0.95 0.04 . 2 . . . . . . . . 4100 1 733 . 1 1 76 76 LEU HD21 H 1 0.93 0.04 . 2 . . . . . . . . 4100 1 734 . 1 1 76 76 LEU HD22 H 1 0.93 0.04 . 2 . . . . . . . . 4100 1 735 . 1 1 76 76 LEU HD23 H 1 0.93 0.04 . 2 . . . . . . . . 4100 1 736 . 1 1 76 76 LEU CA C 13 55.30 0.50 . 1 . . . . . . . . 4100 1 737 . 1 1 76 76 LEU CB C 13 41.80 0.50 . 1 . . . . . . . . 4100 1 738 . 1 1 76 76 LEU CG C 13 27.66 0.50 . 1 . . . . . . . . 4100 1 739 . 1 1 76 76 LEU CD1 C 13 26.50 0.50 . 1 . . . . . . . . 4100 1 740 . 1 1 76 76 LEU CD2 C 13 23.09 0.50 . 1 . . . . . . . . 4100 1 741 . 1 1 76 76 LEU N N 15 117.40 0.50 . 1 . . . . . . . . 4100 1 742 . 1 1 77 77 GLY H H 1 7.70 0.04 . 1 . . . . . . . . 4100 1 743 . 1 1 77 77 GLY HA2 H 1 4.01 0.04 . 2 . . . . . . . . 4100 1 744 . 1 1 77 77 GLY HA3 H 1 3.77 0.04 . 2 . . . . . . . . 4100 1 745 . 1 1 77 77 GLY CA C 13 45.80 0.50 . 1 . . . . . . . . 4100 1 746 . 1 1 77 77 GLY N N 15 105.28 0.50 . 1 . . . . . . . . 4100 1 747 . 1 1 78 78 GLY H H 1 7.71 0.04 . 1 . . . . . . . . 4100 1 748 . 1 1 78 78 GLY HA2 H 1 3.54 0.04 . 2 . . . . . . . . 4100 1 749 . 1 1 78 78 GLY HA3 H 1 2.42 0.04 . 2 . . . . . . . . 4100 1 750 . 1 1 78 78 GLY CA C 13 45.00 0.50 . 1 . . . . . . . . 4100 1 751 . 1 1 78 78 GLY N N 15 106.27 0.50 . 1 . . . . . . . . 4100 1 752 . 1 1 79 79 ASN H H 1 8.47 0.04 . 1 . . . . . . . . 4100 1 753 . 1 1 79 79 ASN HA H 1 4.32 0.04 . 1 . . . . . . . . 4100 1 754 . 1 1 79 79 ASN HB2 H 1 2.80 0.04 . 2 . . . . . . . . 4100 1 755 . 1 1 79 79 ASN HB3 H 1 2.66 0.04 . 2 . . . . . . . . 4100 1 756 . 1 1 79 79 ASN HD21 H 1 7.69 0.04 . 2 . . . . . . . . 4100 1 757 . 1 1 79 79 ASN HD22 H 1 6.99 0.04 . 2 . . . . . . . . 4100 1 758 . 1 1 79 79 ASN CA C 13 57.10 0.50 . 1 . . . . . . . . 4100 1 759 . 1 1 79 79 ASN CB C 13 39.30 0.50 . 1 . . . . . . . . 4100 1 760 . 1 1 79 79 ASN N N 15 120.80 0.50 . 1 . . . . . . . . 4100 1 761 . 1 1 79 79 ASN ND2 N 15 112.85 0.50 . 1 . . . . . . . . 4100 1 762 . 1 1 80 80 PRO HA H 1 4.69 0.04 . 1 . . . . . . . . 4100 1 763 . 1 1 80 80 PRO HB2 H 1 2.45 0.04 . 2 . . . . . . . . 4100 1 764 . 1 1 80 80 PRO HB3 H 1 2.04 0.04 . 2 . . . . . . . . 4100 1 765 . 1 1 80 80 PRO HG2 H 1 2.10 0.04 . 1 . . . . . . . . 4100 1 766 . 1 1 80 80 PRO HG3 H 1 2.10 0.04 . 1 . . . . . . . . 4100 1 767 . 1 1 80 80 PRO HD2 H 1 4.03 0.04 . 2 . . . . . . . . 4100 1 768 . 1 1 80 80 PRO HD3 H 1 3.79 0.04 . 2 . . . . . . . . 4100 1 769 . 1 1 80 80 PRO CA C 13 64.40 0.50 . 1 . . . . . . . . 4100 1 770 . 1 1 80 80 PRO CB C 13 32.83 0.50 . 1 . . . . . . . . 4100 1 771 . 1 1 80 80 PRO CG C 13 27.70 0.50 . 1 . . . . . . . . 4100 1 772 . 1 1 80 80 PRO CD C 13 51.00 0.50 . 1 . . . . . . . . 4100 1 773 . 1 1 81 81 GLY H H 1 8.65 0.04 . 1 . . . . . . . . 4100 1 774 . 1 1 81 81 GLY HA2 H 1 3.95 0.04 . 1 . . . . . . . . 4100 1 775 . 1 1 81 81 GLY HA3 H 1 3.95 0.04 . 1 . . . . . . . . 4100 1 776 . 1 1 81 81 GLY CA C 13 45.30 0.50 . 1 . . . . . . . . 4100 1 777 . 1 1 81 81 GLY N N 15 107.76 0.50 . 1 . . . . . . . . 4100 1 778 . 1 1 82 82 SER H H 1 7.58 0.04 . 1 . . . . . . . . 4100 1 779 . 1 1 82 82 SER HA H 1 4.64 0.04 . 1 . . . . . . . . 4100 1 780 . 1 1 82 82 SER HB2 H 1 3.98 0.04 . 2 . . . . . . . . 4100 1 781 . 1 1 82 82 SER HB3 H 1 3.80 0.04 . 2 . . . . . . . . 4100 1 782 . 1 1 82 82 SER CA C 13 57.90 0.50 . 1 . . . . . . . . 4100 1 783 . 1 1 82 82 SER CB C 13 64.20 0.50 . 1 . . . . . . . . 4100 1 784 . 1 1 82 82 SER N N 15 114.40 0.50 . 1 . . . . . . . . 4100 1 785 . 1 1 83 83 THR H H 1 8.83 0.04 . 1 . . . . . . . . 4100 1 786 . 1 1 83 83 THR HA H 1 4.27 0.04 . 1 . . . . . . . . 4100 1 787 . 1 1 83 83 THR HB H 1 4.38 0.04 . 1 . . . . . . . . 4100 1 788 . 1 1 83 83 THR HG21 H 1 1.33 0.04 . 1 . . . . . . . . 4100 1 789 . 1 1 83 83 THR HG22 H 1 1.33 0.04 . 1 . . . . . . . . 4100 1 790 . 1 1 83 83 THR HG23 H 1 1.33 0.04 . 1 . . . . . . . . 4100 1 791 . 1 1 83 83 THR CA C 13 63.60 0.50 . 1 . . . . . . . . 4100 1 792 . 1 1 83 83 THR CB C 13 68.90 0.50 . 1 . . . . . . . . 4100 1 793 . 1 1 83 83 THR CG2 C 13 21.57 0.50 . 1 . . . . . . . . 4100 1 794 . 1 1 83 83 THR N N 15 120.05 0.50 . 1 . . . . . . . . 4100 1 795 . 1 1 84 84 SER H H 1 8.26 0.04 . 1 . . . . . . . . 4100 1 796 . 1 1 84 84 SER HA H 1 4.60 0.04 . 1 . . . . . . . . 4100 1 797 . 1 1 84 84 SER HB2 H 1 4.06 0.04 . 2 . . . . . . . . 4100 1 798 . 1 1 84 84 SER HB3 H 1 3.95 0.04 . 2 . . . . . . . . 4100 1 799 . 1 1 84 84 SER CA C 13 58.30 0.50 . 1 . . . . . . . . 4100 1 800 . 1 1 84 84 SER CB C 13 63.60 0.50 . 1 . . . . . . . . 4100 1 801 . 1 1 84 84 SER N N 15 115.60 0.50 . 1 . . . . . . . . 4100 1 802 . 1 1 85 85 ALA H H 1 7.12 0.04 . 1 . . . . . . . . 4100 1 803 . 1 1 85 85 ALA HA H 1 3.55 0.04 . 1 . . . . . . . . 4100 1 804 . 1 1 85 85 ALA HB1 H 1 0.36 0.04 . 1 . . . . . . . . 4100 1 805 . 1 1 85 85 ALA HB2 H 1 0.36 0.04 . 1 . . . . . . . . 4100 1 806 . 1 1 85 85 ALA HB3 H 1 0.36 0.04 . 1 . . . . . . . . 4100 1 807 . 1 1 85 85 ALA CA C 13 55.60 0.50 . 1 . . . . . . . . 4100 1 808 . 1 1 85 85 ALA CB C 13 17.50 0.50 . 1 . . . . . . . . 4100 1 809 . 1 1 85 85 ALA N N 15 123.89 0.50 . 1 . . . . . . . . 4100 1 810 . 1 1 86 86 ALA H H 1 8.77 0.04 . 1 . . . . . . . . 4100 1 811 . 1 1 86 86 ALA HA H 1 3.77 0.04 . 1 . . . . . . . . 4100 1 812 . 1 1 86 86 ALA HB1 H 1 1.57 0.04 . 1 . . . . . . . . 4100 1 813 . 1 1 86 86 ALA HB2 H 1 1.57 0.04 . 1 . . . . . . . . 4100 1 814 . 1 1 86 86 ALA HB3 H 1 1.57 0.04 . 1 . . . . . . . . 4100 1 815 . 1 1 86 86 ALA CA C 13 56.40 0.50 . 1 . . . . . . . . 4100 1 816 . 1 1 86 86 ALA CB C 13 19.00 0.50 . 1 . . . . . . . . 4100 1 817 . 1 1 86 86 ALA N N 15 121.91 0.50 . 1 . . . . . . . . 4100 1 818 . 1 1 87 87 THR H H 1 8.02 0.04 . 1 . . . . . . . . 4100 1 819 . 1 1 87 87 THR HA H 1 3.77 0.04 . 1 . . . . . . . . 4100 1 820 . 1 1 87 87 THR HB H 1 4.09 0.04 . 1 . . . . . . . . 4100 1 821 . 1 1 87 87 THR HG21 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 822 . 1 1 87 87 THR HG22 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 823 . 1 1 87 87 THR HG23 H 1 1.20 0.04 . 1 . . . . . . . . 4100 1 824 . 1 1 87 87 THR CA C 13 66.78 0.50 . 1 . . . . . . . . 4100 1 825 . 1 1 87 87 THR CB C 13 68.90 0.50 . 1 . . . . . . . . 4100 1 826 . 1 1 87 87 THR CG2 C 13 21.57 0.50 . 1 . . . . . . . . 4100 1 827 . 1 1 87 87 THR N N 15 115.20 0.50 . 1 . . . . . . . . 4100 1 828 . 1 1 88 88 CYS H H 1 8.58 0.04 . 1 . . . . . . . . 4100 1 829 . 1 1 88 88 CYS HA H 1 4.46 0.04 . 1 . . . . . . . . 4100 1 830 . 1 1 88 88 CYS HB2 H 1 3.46 0.04 . 2 . . . . . . . . 4100 1 831 . 1 1 88 88 CYS HB3 H 1 3.30 0.04 . 2 . . . . . . . . 4100 1 832 . 1 1 88 88 CYS CA C 13 58.90 0.50 . 1 . . . . . . . . 4100 1 833 . 1 1 88 88 CYS CB C 13 37.80 0.50 . 1 . . . . . . . . 4100 1 834 . 1 1 88 88 CYS N N 15 118.30 0.50 . 1 . . . . . . . . 4100 1 835 . 1 1 89 89 THR H H 1 8.04 0.04 . 1 . . . . . . . . 4100 1 836 . 1 1 89 89 THR HA H 1 3.77 0.04 . 1 . . . . . . . . 4100 1 837 . 1 1 89 89 THR HB H 1 4.40 0.04 . 1 . . . . . . . . 4100 1 838 . 1 1 89 89 THR HG21 H 1 1.58 0.04 . 1 . . . . . . . . 4100 1 839 . 1 1 89 89 THR HG22 H 1 1.58 0.04 . 1 . . . . . . . . 4100 1 840 . 1 1 89 89 THR HG23 H 1 1.58 0.04 . 1 . . . . . . . . 4100 1 841 . 1 1 89 89 THR CA C 13 68.78 0.50 . 1 . . . . . . . . 4100 1 842 . 1 1 89 89 THR CB C 13 67.77 0.50 . 1 . . . . . . . . 4100 1 843 . 1 1 89 89 THR CG2 C 13 22.08 0.50 . 1 . . . . . . . . 4100 1 844 . 1 1 89 89 THR N N 15 116.94 0.50 . 1 . . . . . . . . 4100 1 845 . 1 1 90 90 ARG H H 1 7.41 0.04 . 1 . . . . . . . . 4100 1 846 . 1 1 90 90 ARG HB2 H 1 2.06 0.04 . 1 . . . . . . . . 4100 1 847 . 1 1 90 90 ARG HB3 H 1 2.06 0.04 . 1 . . . . . . . . 4100 1 848 . 1 1 90 90 ARG CA C 13 59.60 0.50 . 1 . . . . . . . . 4100 1 849 . 1 1 90 90 ARG CB C 13 29.60 0.50 . 1 . . . . . . . . 4100 1 850 . 1 1 90 90 ARG N N 15 121.50 0.50 . 1 . . . . . . . . 4100 1 851 . 1 1 91 91 ARG H H 1 7.93 0.04 . 1 . . . . . . . . 4100 1 852 . 1 1 91 91 ARG HA H 1 3.97 0.04 . 1 . . . . . . . . 4100 1 853 . 1 1 91 91 ARG HB2 H 1 1.96 0.04 . 1 . . . . . . . . 4100 1 854 . 1 1 91 91 ARG HB3 H 1 1.96 0.04 . 1 . . . . . . . . 4100 1 855 . 1 1 91 91 ARG HG2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 856 . 1 1 91 91 ARG HG3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 857 . 1 1 91 91 ARG HD2 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 858 . 1 1 91 91 ARG HD3 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 859 . 1 1 91 91 ARG CA C 13 59.35 0.50 . 1 . . . . . . . . 4100 1 860 . 1 1 91 91 ARG CB C 13 28.60 0.50 . 1 . . . . . . . . 4100 1 861 . 1 1 91 91 ARG CG C 13 29.60 0.50 . 1 . . . . . . . . 4100 1 862 . 1 1 91 91 ARG CD C 13 41.70 0.50 . 1 . . . . . . . . 4100 1 863 . 1 1 91 91 ARG N N 15 117.10 0.50 . 1 . . . . . . . . 4100 1 864 . 1 1 92 92 HIS H H 1 8.16 0.04 . 1 . . . . . . . . 4100 1 865 . 1 1 92 92 HIS HA H 1 4.67 0.04 . 1 . . . . . . . . 4100 1 866 . 1 1 92 92 HIS HB2 H 1 2.88 0.04 . 1 . . . . . . . . 4100 1 867 . 1 1 92 92 HIS HB3 H 1 2.88 0.04 . 1 . . . . . . . . 4100 1 868 . 1 1 92 92 HIS CA C 13 59.60 0.50 . 1 . . . . . . . . 4100 1 869 . 1 1 92 92 HIS CB C 13 30.40 0.50 . 1 . . . . . . . . 4100 1 870 . 1 1 92 92 HIS N N 15 117.10 0.50 . 1 . . . . . . . . 4100 1 871 . 1 1 93 93 TYR H H 1 8.59 0.04 . 1 . . . . . . . . 4100 1 872 . 1 1 93 93 TYR HA H 1 3.99 0.04 . 1 . . . . . . . . 4100 1 873 . 1 1 93 93 TYR HB2 H 1 3.26 0.04 . 2 . . . . . . . . 4100 1 874 . 1 1 93 93 TYR HB3 H 1 3.12 0.04 . 2 . . . . . . . . 4100 1 875 . 1 1 93 93 TYR CA C 13 63.30 0.50 . 1 . . . . . . . . 4100 1 876 . 1 1 93 93 TYR CB C 13 39.85 0.50 . 1 . . . . . . . . 4100 1 877 . 1 1 93 93 TYR N N 15 121.65 0.50 . 1 . . . . . . . . 4100 1 878 . 1 1 94 94 GLU H H 1 8.99 0.04 . 1 . . . . . . . . 4100 1 879 . 1 1 94 94 GLU HA H 1 3.94 0.04 . 1 . . . . . . . . 4100 1 880 . 1 1 94 94 GLU HB2 H 1 1.97 0.04 . 1 . . . . . . . . 4100 1 881 . 1 1 94 94 GLU HB3 H 1 1.97 0.04 . 1 . . . . . . . . 4100 1 882 . 1 1 94 94 GLU HG2 H 1 2.30 0.04 . 1 . . . . . . . . 4100 1 883 . 1 1 94 94 GLU HG3 H 1 2.30 0.04 . 1 . . . . . . . . 4100 1 884 . 1 1 94 94 GLU CA C 13 59.10 0.50 . 1 . . . . . . . . 4100 1 885 . 1 1 94 94 GLU CB C 13 29.90 0.50 . 1 . . . . . . . . 4100 1 886 . 1 1 94 94 GLU CG C 13 36.05 0.50 . 1 . . . . . . . . 4100 1 887 . 1 1 94 94 GLU N N 15 119.19 0.50 . 1 . . . . . . . . 4100 1 888 . 1 1 95 95 ARG H H 1 7.47 0.04 . 1 . . . . . . . . 4100 1 889 . 1 1 95 95 ARG HA H 1 4.23 0.04 . 1 . . . . . . . . 4100 1 890 . 1 1 95 95 ARG HB2 H 1 1.98 0.04 . 1 . . . . . . . . 4100 1 891 . 1 1 95 95 ARG HB3 H 1 1.98 0.04 . 1 . . . . . . . . 4100 1 892 . 1 1 95 95 ARG HG2 H 1 1.76 0.04 . 2 . . . . . . . . 4100 1 893 . 1 1 95 95 ARG HG3 H 1 1.69 0.04 . 2 . . . . . . . . 4100 1 894 . 1 1 95 95 ARG HD2 H 1 3.22 0.04 . 1 . . . . . . . . 4100 1 895 . 1 1 95 95 ARG HD3 H 1 3.22 0.04 . 1 . . . . . . . . 4100 1 896 . 1 1 95 95 ARG CA C 13 58.20 0.50 . 1 . . . . . . . . 4100 1 897 . 1 1 95 95 ARG CB C 13 31.80 0.50 . 1 . . . . . . . . 4100 1 898 . 1 1 95 95 ARG CG C 13 27.60 0.50 . 1 . . . . . . . . 4100 1 899 . 1 1 95 95 ARG CD C 13 43.32 0.50 . 1 . . . . . . . . 4100 1 900 . 1 1 95 95 ARG N N 15 114.40 0.50 . 1 . . . . . . . . 4100 1 901 . 1 1 96 96 LEU H H 1 8.12 0.04 . 1 . . . . . . . . 4100 1 902 . 1 1 96 96 LEU HA H 1 4.40 0.04 . 1 . . . . . . . . 4100 1 903 . 1 1 96 96 LEU HB2 H 1 1.36 0.04 . 1 . . . . . . . . 4100 1 904 . 1 1 96 96 LEU HB3 H 1 1.36 0.04 . 1 . . . . . . . . 4100 1 905 . 1 1 96 96 LEU HG H 1 1.75 0.04 . 1 . . . . . . . . 4100 1 906 . 1 1 96 96 LEU HD11 H 1 1.02 0.04 . 2 . . . . . . . . 4100 1 907 . 1 1 96 96 LEU HD12 H 1 1.02 0.04 . 2 . . . . . . . . 4100 1 908 . 1 1 96 96 LEU HD13 H 1 1.02 0.04 . 2 . . . . . . . . 4100 1 909 . 1 1 96 96 LEU HD21 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 910 . 1 1 96 96 LEU HD22 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 911 . 1 1 96 96 LEU HD23 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 912 . 1 1 96 96 LEU CA C 13 57.20 0.50 . 1 . . . . . . . . 4100 1 913 . 1 1 96 96 LEU CB C 13 44.90 0.50 . 1 . . . . . . . . 4100 1 914 . 1 1 96 96 LEU CG C 13 24.60 0.50 . 1 . . . . . . . . 4100 1 915 . 1 1 96 96 LEU CD1 C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 916 . 1 1 96 96 LEU CD2 C 13 23.60 0.50 . 1 . . . . . . . . 4100 1 917 . 1 1 96 96 LEU N N 15 114.40 0.50 . 1 . . . . . . . . 4100 1 918 . 1 1 97 97 ILE H H 1 7.91 0.04 . 1 . . . . . . . . 4100 1 919 . 1 1 97 97 ILE HA H 1 4.34 0.04 . 1 . . . . . . . . 4100 1 920 . 1 1 97 97 ILE HB H 1 0.64 0.04 . 1 . . . . . . . . 4100 1 921 . 1 1 97 97 ILE HG12 H 1 1.33 0.04 . 1 . . . . . . . . 4100 1 922 . 1 1 97 97 ILE HG13 H 1 1.33 0.04 . 1 . . . . . . . . 4100 1 923 . 1 1 97 97 ILE HG21 H 1 1.16 0.04 . 1 . . . . . . . . 4100 1 924 . 1 1 97 97 ILE HG22 H 1 1.16 0.04 . 1 . . . . . . . . 4100 1 925 . 1 1 97 97 ILE HG23 H 1 1.16 0.04 . 1 . . . . . . . . 4100 1 926 . 1 1 97 97 ILE HD11 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 927 . 1 1 97 97 ILE HD12 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 928 . 1 1 97 97 ILE HD13 H 1 1.03 0.04 . 1 . . . . . . . . 4100 1 929 . 1 1 97 97 ILE CA C 13 60.20 0.50 . 1 . . . . . . . . 4100 1 930 . 1 1 97 97 ILE CB C 13 39.30 0.50 . 1 . . . . . . . . 4100 1 931 . 1 1 97 97 ILE CG1 C 13 28.68 0.50 . 1 . . . . . . . . 4100 1 932 . 1 1 97 97 ILE CG2 C 13 21.06 0.50 . 1 . . . . . . . . 4100 1 933 . 1 1 97 97 ILE CD1 C 13 12.90 0.50 . 1 . . . . . . . . 4100 1 934 . 1 1 97 97 ILE N N 15 113.40 0.50 . 1 . . . . . . . . 4100 1 935 . 1 1 98 98 LEU H H 1 8.04 0.04 . 1 . . . . . . . . 4100 1 936 . 1 1 98 98 LEU HA H 1 4.40 0.04 . 1 . . . . . . . . 4100 1 937 . 1 1 98 98 LEU HB2 H 1 1.24 0.04 . 1 . . . . . . . . 4100 1 938 . 1 1 98 98 LEU HB3 H 1 1.24 0.04 . 1 . . . . . . . . 4100 1 939 . 1 1 98 98 LEU HG H 1 1.45 0.04 . 1 . . . . . . . . 4100 1 940 . 1 1 98 98 LEU HD11 H 1 0.33 0.04 . 2 . . . . . . . . 4100 1 941 . 1 1 98 98 LEU HD12 H 1 0.33 0.04 . 2 . . . . . . . . 4100 1 942 . 1 1 98 98 LEU HD13 H 1 0.33 0.04 . 2 . . . . . . . . 4100 1 943 . 1 1 98 98 LEU HD21 H 1 0.89 0.04 . 2 . . . . . . . . 4100 1 944 . 1 1 98 98 LEU HD22 H 1 0.89 0.04 . 2 . . . . . . . . 4100 1 945 . 1 1 98 98 LEU HD23 H 1 0.89 0.04 . 2 . . . . . . . . 4100 1 946 . 1 1 98 98 LEU CA C 13 59.33 0.50 . 1 . . . . . . . . 4100 1 947 . 1 1 98 98 LEU CB C 13 41.37 0.50 . 1 . . . . . . . . 4100 1 948 . 1 1 98 98 LEU CG C 13 27.60 0.50 . 1 . . . . . . . . 4100 1 949 . 1 1 98 98 LEU CD1 C 13 25.12 0.50 . 1 . . . . . . . . 4100 1 950 . 1 1 98 98 LEU CD2 C 13 24.61 0.50 . 1 . . . . . . . . 4100 1 951 . 1 1 98 98 LEU N N 15 119.80 0.50 . 1 . . . . . . . . 4100 1 952 . 1 1 99 99 PRO HA H 1 4.31 0.04 . 1 . . . . . . . . 4100 1 953 . 1 1 99 99 PRO HB2 H 1 1.97 0.04 . 1 . . . . . . . . 4100 1 954 . 1 1 99 99 PRO HB3 H 1 1.97 0.04 . 1 . . . . . . . . 4100 1 955 . 1 1 99 99 PRO HG2 H 1 2.07 0.04 . 1 . . . . . . . . 4100 1 956 . 1 1 99 99 PRO HG3 H 1 2.07 0.04 . 1 . . . . . . . . 4100 1 957 . 1 1 99 99 PRO HD2 H 1 4.00 0.04 . 1 . . . . . . . . 4100 1 958 . 1 1 99 99 PRO HD3 H 1 4.00 0.04 . 1 . . . . . . . . 4100 1 959 . 1 1 99 99 PRO CA C 13 66.70 0.50 . 1 . . . . . . . . 4100 1 960 . 1 1 99 99 PRO CB C 13 32.23 0.50 . 1 . . . . . . . . 4100 1 961 . 1 1 99 99 PRO CG C 13 29.69 0.50 . 1 . . . . . . . . 4100 1 962 . 1 1 99 99 PRO CD C 13 51.02 0.50 . 1 . . . . . . . . 4100 1 963 . 1 1 100 100 TYR H H 1 8.08 0.04 . 1 . . . . . . . . 4100 1 964 . 1 1 100 100 TYR HA H 1 3.80 0.04 . 1 . . . . . . . . 4100 1 965 . 1 1 100 100 TYR HB2 H 1 3.05 0.04 . 2 . . . . . . . . 4100 1 966 . 1 1 100 100 TYR HB3 H 1 3.00 0.04 . 2 . . . . . . . . 4100 1 967 . 1 1 100 100 TYR CA C 13 61.20 0.50 . 1 . . . . . . . . 4100 1 968 . 1 1 100 100 TYR CB C 13 40.30 0.50 . 1 . . . . . . . . 4100 1 969 . 1 1 100 100 TYR N N 15 119.39 0.50 . 1 . . . . . . . . 4100 1 970 . 1 1 101 101 GLU H H 1 8.69 0.04 . 1 . . . . . . . . 4100 1 971 . 1 1 101 101 GLU HA H 1 3.86 0.04 . 1 . . . . . . . . 4100 1 972 . 1 1 101 101 GLU HB2 H 1 2.40 0.04 . 1 . . . . . . . . 4100 1 973 . 1 1 101 101 GLU HB3 H 1 2.40 0.04 . 1 . . . . . . . . 4100 1 974 . 1 1 101 101 GLU HG2 H 1 2.60 0.04 . 1 . . . . . . . . 4100 1 975 . 1 1 101 101 GLU HG3 H 1 2.60 0.04 . 1 . . . . . . . . 4100 1 976 . 1 1 101 101 GLU CA C 13 60.70 0.50 . 1 . . . . . . . . 4100 1 977 . 1 1 101 101 GLU CB C 13 30.70 0.50 . 1 . . . . . . . . 4100 1 978 . 1 1 101 101 GLU CG C 13 36.80 0.50 . 1 . . . . . . . . 4100 1 979 . 1 1 101 101 GLU N N 15 120.65 0.50 . 1 . . . . . . . . 4100 1 980 . 1 1 102 102 ARG H H 1 8.65 0.04 . 1 . . . . . . . . 4100 1 981 . 1 1 102 102 ARG HA H 1 3.99 0.04 . 1 . . . . . . . . 4100 1 982 . 1 1 102 102 ARG HB2 H 1 1.74 0.04 . 1 . . . . . . . . 4100 1 983 . 1 1 102 102 ARG HB3 H 1 1.74 0.04 . 1 . . . . . . . . 4100 1 984 . 1 1 102 102 ARG HG2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 985 . 1 1 102 102 ARG HG3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 986 . 1 1 102 102 ARG HD2 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 987 . 1 1 102 102 ARG HD3 H 1 3.02 0.04 . 1 . . . . . . . . 4100 1 988 . 1 1 102 102 ARG CA C 13 59.35 0.50 . 1 . . . . . . . . 4100 1 989 . 1 1 102 102 ARG CB C 13 30.40 0.50 . 1 . . . . . . . . 4100 1 990 . 1 1 102 102 ARG CG C 13 29.70 0.50 . 1 . . . . . . . . 4100 1 991 . 1 1 102 102 ARG CD C 13 41.80 0.50 . 1 . . . . . . . . 4100 1 992 . 1 1 102 102 ARG N N 15 115.45 0.50 . 1 . . . . . . . . 4100 1 993 . 1 1 103 103 PHE H H 1 7.87 0.04 . 1 . . . . . . . . 4100 1 994 . 1 1 103 103 PHE HA H 1 4.36 0.04 . 1 . . . . . . . . 4100 1 995 . 1 1 103 103 PHE HB2 H 1 3.11 0.04 . 2 . . . . . . . . 4100 1 996 . 1 1 103 103 PHE HB3 H 1 2.81 0.04 . 2 . . . . . . . . 4100 1 997 . 1 1 103 103 PHE CA C 13 60.40 0.50 . 1 . . . . . . . . 4100 1 998 . 1 1 103 103 PHE CB C 13 39.20 0.50 . 1 . . . . . . . . 4100 1 999 . 1 1 103 103 PHE N N 15 120.66 0.50 . 1 . . . . . . . . 4100 1 1000 . 1 1 104 104 ILE H H 1 8.45 0.04 . 1 . . . . . . . . 4100 1 1001 . 1 1 104 104 ILE HA H 1 3.55 0.04 . 1 . . . . . . . . 4100 1 1002 . 1 1 104 104 ILE HB H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 1003 . 1 1 104 104 ILE HG12 H 1 1.36 0.04 . 2 . . . . . . . . 4100 1 1004 . 1 1 104 104 ILE HG13 H 1 1.25 0.04 . 2 . . . . . . . . 4100 1 1005 . 1 1 104 104 ILE HG21 H 1 0.61 0.04 . 1 . . . . . . . . 4100 1 1006 . 1 1 104 104 ILE HG22 H 1 0.61 0.04 . 1 . . . . . . . . 4100 1 1007 . 1 1 104 104 ILE HG23 H 1 0.61 0.04 . 1 . . . . . . . . 4100 1 1008 . 1 1 104 104 ILE HD11 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1009 . 1 1 104 104 ILE HD12 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1010 . 1 1 104 104 ILE HD13 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1011 . 1 1 104 104 ILE CA C 13 63.60 0.50 . 1 . . . . . . . . 4100 1 1012 . 1 1 104 104 ILE CB C 13 37.60 0.50 . 1 . . . . . . . . 4100 1 1013 . 1 1 104 104 ILE CG1 C 13 26.64 0.50 . 1 . . . . . . . . 4100 1 1014 . 1 1 104 104 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 4100 1 1015 . 1 1 104 104 ILE CD1 C 13 13.45 0.50 . 1 . . . . . . . . 4100 1 1016 . 1 1 104 104 ILE N N 15 117.10 0.50 . 1 . . . . . . . . 4100 1 1017 . 1 1 105 105 LYS H H 1 7.57 0.04 . 1 . . . . . . . . 4100 1 1018 . 1 1 105 105 LYS HA H 1 4.29 0.04 . 1 . . . . . . . . 4100 1 1019 . 1 1 105 105 LYS HB2 H 1 2.06 0.04 . 2 . . . . . . . . 4100 1 1020 . 1 1 105 105 LYS HB3 H 1 1.91 0.04 . 2 . . . . . . . . 4100 1 1021 . 1 1 105 105 LYS HG2 H 1 1.46 0.04 . 1 . . . . . . . . 4100 1 1022 . 1 1 105 105 LYS HG3 H 1 1.46 0.04 . 1 . . . . . . . . 4100 1 1023 . 1 1 105 105 LYS HD2 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 1024 . 1 1 105 105 LYS HD3 H 1 1.73 0.04 . 1 . . . . . . . . 4100 1 1025 . 1 1 105 105 LYS HE2 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 1026 . 1 1 105 105 LYS HE3 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 1027 . 1 1 105 105 LYS CA C 13 57.20 0.50 . 1 . . . . . . . . 4100 1 1028 . 1 1 105 105 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4100 1 1029 . 1 1 105 105 LYS CG C 13 25.12 0.50 . 1 . . . . . . . . 4100 1 1030 . 1 1 105 105 LYS CD C 13 29.70 0.50 . 1 . . . . . . . . 4100 1 1031 . 1 1 105 105 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4100 1 1032 . 1 1 105 105 LYS N N 15 119.64 0.50 . 1 . . . . . . . . 4100 1 1033 . 1 1 106 106 GLY H H 1 7.77 0.04 . 1 . . . . . . . . 4100 1 1034 . 1 1 106 106 GLY HA2 H 1 3.99 0.04 . 1 . . . . . . . . 4100 1 1035 . 1 1 106 106 GLY HA3 H 1 3.99 0.04 . 1 . . . . . . . . 4100 1 1036 . 1 1 106 106 GLY CA C 13 46.60 0.50 . 1 . . . . . . . . 4100 1 1037 . 1 1 106 106 GLY N N 15 108.47 0.50 . 1 . . . . . . . . 4100 1 1038 . 1 1 107 107 GLU H H 1 8.26 0.04 . 1 . . . . . . . . 4100 1 1039 . 1 1 107 107 GLU HA H 1 4.46 0.04 . 1 . . . . . . . . 4100 1 1040 . 1 1 107 107 GLU HB2 H 1 2.16 0.04 . 2 . . . . . . . . 4100 1 1041 . 1 1 107 107 GLU HB3 H 1 1.84 0.04 . 2 . . . . . . . . 4100 1 1042 . 1 1 107 107 GLU HG2 H 1 2.16 0.04 . 1 . . . . . . . . 4100 1 1043 . 1 1 107 107 GLU HG3 H 1 2.16 0.04 . 1 . . . . . . . . 4100 1 1044 . 1 1 107 107 GLU CA C 13 56.10 0.50 . 1 . . . . . . . . 4100 1 1045 . 1 1 107 107 GLU CB C 13 30.70 0.50 . 1 . . . . . . . . 4100 1 1046 . 1 1 107 107 GLU CG C 13 36.20 0.50 . 1 . . . . . . . . 4100 1 1047 . 1 1 107 107 GLU N N 15 119.48 0.50 . 1 . . . . . . . . 4100 1 1048 . 1 1 108 108 GLU H H 1 8.49 0.04 . 1 . . . . . . . . 4100 1 1049 . 1 1 108 108 GLU HA H 1 4.23 0.04 . 1 . . . . . . . . 4100 1 1050 . 1 1 108 108 GLU HB2 H 1 2.08 0.04 . 1 . . . . . . . . 4100 1 1051 . 1 1 108 108 GLU HB3 H 1 2.08 0.04 . 1 . . . . . . . . 4100 1 1052 . 1 1 108 108 GLU HG2 H 1 2.38 0.04 . 2 . . . . . . . . 4100 1 1053 . 1 1 108 108 GLU HG3 H 1 2.31 0.04 . 2 . . . . . . . . 4100 1 1054 . 1 1 108 108 GLU CA C 13 56.96 0.50 . 1 . . . . . . . . 4100 1 1055 . 1 1 108 108 GLU CB C 13 30.70 0.50 . 1 . . . . . . . . 4100 1 1056 . 1 1 108 108 GLU CG C 13 36.40 0.50 . 1 . . . . . . . . 4100 1 1057 . 1 1 108 108 GLU N N 15 120.71 0.50 . 1 . . . . . . . . 4100 1 1058 . 1 1 109 109 ASP H H 1 8.52 0.04 . 1 . . . . . . . . 4100 1 1059 . 1 1 109 109 ASP HA H 1 4.65 0.04 . 1 . . . . . . . . 4100 1 1060 . 1 1 109 109 ASP HB2 H 1 2.74 0.04 . 2 . . . . . . . . 4100 1 1061 . 1 1 109 109 ASP HB3 H 1 2.68 0.04 . 2 . . . . . . . . 4100 1 1062 . 1 1 109 109 ASP CA C 13 54.05 0.50 . 1 . . . . . . . . 4100 1 1063 . 1 1 109 109 ASP CB C 13 41.30 0.50 . 1 . . . . . . . . 4100 1 1064 . 1 1 109 109 ASP N N 15 120.71 0.50 . 1 . . . . . . . . 4100 1 1065 . 1 1 110 110 LYS H H 1 7.92 0.04 . 1 . . . . . . . . 4100 1 1066 . 1 1 110 110 LYS HA H 1 4.68 0.04 . 1 . . . . . . . . 4100 1 1067 . 1 1 110 110 LYS HB2 H 1 1.85 0.04 . 2 . . . . . . . . 4100 1 1068 . 1 1 110 110 LYS HB3 H 1 1.77 0.04 . 2 . . . . . . . . 4100 1 1069 . 1 1 110 110 LYS HG2 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 1070 . 1 1 110 110 LYS HG3 H 1 1.50 0.04 . 1 . . . . . . . . 4100 1 1071 . 1 1 110 110 LYS HD2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1072 . 1 1 110 110 LYS HD3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1073 . 1 1 110 110 LYS HE2 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 1074 . 1 1 110 110 LYS HE3 H 1 3.03 0.04 . 1 . . . . . . . . 4100 1 1075 . 1 1 110 110 LYS CA C 13 54.05 0.50 . 1 . . . . . . . . 4100 1 1076 . 1 1 110 110 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4100 1 1077 . 1 1 110 110 LYS CG C 13 24.60 0.50 . 1 . . . . . . . . 4100 1 1078 . 1 1 110 110 LYS CD C 13 29.00 0.50 . 1 . . . . . . . . 4100 1 1079 . 1 1 110 110 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4100 1 1080 . 1 1 110 110 LYS N N 15 122.90 0.50 . 1 . . . . . . . . 4100 1 1081 . 1 1 111 111 PRO HA H 1 4.45 0.04 . 1 . . . . . . . . 4100 1 1082 . 1 1 111 111 PRO HB2 H 1 2.29 0.04 . 2 . . . . . . . . 4100 1 1083 . 1 1 111 111 PRO HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 1084 . 1 1 111 111 PRO HG2 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 1085 . 1 1 111 111 PRO HG3 H 1 2.02 0.04 . 1 . . . . . . . . 4100 1 1086 . 1 1 111 111 PRO HD2 H 1 3.86 0.04 . 2 . . . . . . . . 4100 1 1087 . 1 1 111 111 PRO HD3 H 1 3.66 0.04 . 2 . . . . . . . . 4100 1 1088 . 1 1 111 111 PRO CA C 13 63.00 0.50 . 1 . . . . . . . . 4100 1 1089 . 1 1 111 111 PRO CB C 13 31.90 0.50 . 1 . . . . . . . . 4100 1 1090 . 1 1 111 111 PRO CG C 13 27.50 0.50 . 1 . . . . . . . . 4100 1 1091 . 1 1 111 111 PRO CD C 13 50.40 0.50 . 1 . . . . . . . . 4100 1 1092 . 1 1 112 112 LEU H H 1 8.46 0.04 . 1 . . . . . . . . 4100 1 1093 . 1 1 112 112 LEU HA H 1 4.63 0.04 . 1 . . . . . . . . 4100 1 1094 . 1 1 112 112 LEU HB2 H 1 1.60 0.04 . 1 . . . . . . . . 4100 1 1095 . 1 1 112 112 LEU HB3 H 1 1.60 0.04 . 1 . . . . . . . . 4100 1 1096 . 1 1 112 112 LEU HG H 1 1.71 0.04 . 1 . . . . . . . . 4100 1 1097 . 1 1 112 112 LEU HD11 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 1098 . 1 1 112 112 LEU HD12 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 1099 . 1 1 112 112 LEU HD13 H 1 0.97 0.04 . 2 . . . . . . . . 4100 1 1100 . 1 1 112 112 LEU HD21 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 1101 . 1 1 112 112 LEU HD22 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 1102 . 1 1 112 112 LEU HD23 H 1 0.94 0.04 . 2 . . . . . . . . 4100 1 1103 . 1 1 112 112 LEU CA C 13 53.25 0.50 . 1 . . . . . . . . 4100 1 1104 . 1 1 112 112 LEU CB C 13 41.90 0.50 . 1 . . . . . . . . 4100 1 1105 . 1 1 112 112 LEU CG C 13 29.10 0.50 . 1 . . . . . . . . 4100 1 1106 . 1 1 112 112 LEU CD1 C 13 25.10 0.50 . 1 . . . . . . . . 4100 1 1107 . 1 1 112 112 LEU CD2 C 13 23.60 0.50 . 1 . . . . . . . . 4100 1 1108 . 1 1 112 112 LEU N N 15 124.56 0.50 . 1 . . . . . . . . 4100 1 1109 . 1 1 113 113 PRO HA H 1 4.73 0.04 . 1 . . . . . . . . 4100 1 1110 . 1 1 113 113 PRO HB2 H 1 2.37 0.04 . 2 . . . . . . . . 4100 1 1111 . 1 1 113 113 PRO HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 1112 . 1 1 113 113 PRO HG2 H 1 2.05 0.04 . 1 . . . . . . . . 4100 1 1113 . 1 1 113 113 PRO HG3 H 1 2.05 0.04 . 1 . . . . . . . . 4100 1 1114 . 1 1 113 113 PRO HD2 H 1 3.87 0.04 . 2 . . . . . . . . 4100 1 1115 . 1 1 113 113 PRO HD3 H 1 3.64 0.04 . 2 . . . . . . . . 4100 1 1116 . 1 1 113 113 PRO CA C 13 61.20 0.50 . 1 . . . . . . . . 4100 1 1117 . 1 1 113 113 PRO CB C 13 30.70 0.50 . 1 . . . . . . . . 4100 1 1118 . 1 1 113 113 PRO CG C 13 27.30 0.50 . 1 . . . . . . . . 4100 1 1119 . 1 1 113 113 PRO CD C 13 50.40 0.50 . 1 . . . . . . . . 4100 1 1120 . 1 1 114 114 PRO HA H 1 4.48 0.04 . 1 . . . . . . . . 4100 1 1121 . 1 1 114 114 PRO HB2 H 1 2.28 0.04 . 2 . . . . . . . . 4100 1 1122 . 1 1 114 114 PRO HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 1123 . 1 1 114 114 PRO HG2 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 1124 . 1 1 114 114 PRO HG3 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 1125 . 1 1 114 114 PRO HD2 H 1 3.84 0.04 . 2 . . . . . . . . 4100 1 1126 . 1 1 114 114 PRO HD3 H 1 3.67 0.04 . 2 . . . . . . . . 4100 1 1127 . 1 1 114 114 PRO CA C 13 62.80 0.50 . 1 . . . . . . . . 4100 1 1128 . 1 1 114 114 PRO CB C 13 32.30 0.50 . 1 . . . . . . . . 4100 1 1129 . 1 1 114 114 PRO CG C 13 27.40 0.50 . 1 . . . . . . . . 4100 1 1130 . 1 1 114 114 PRO CD C 13 50.40 0.50 . 1 . . . . . . . . 4100 1 1131 . 1 1 115 115 ILE H H 1 8.24 0.04 . 1 . . . . . . . . 4100 1 1132 . 1 1 115 115 ILE HA H 1 4.13 0.04 . 1 . . . . . . . . 4100 1 1133 . 1 1 115 115 ILE HB H 1 1.83 0.04 . 1 . . . . . . . . 4100 1 1134 . 1 1 115 115 ILE HG12 H 1 1.50 0.04 . 2 . . . . . . . . 4100 1 1135 . 1 1 115 115 ILE HG13 H 1 1.19 0.04 . 2 . . . . . . . . 4100 1 1136 . 1 1 115 115 ILE HG21 H 1 0.91 0.04 . 1 . . . . . . . . 4100 1 1137 . 1 1 115 115 ILE HG22 H 1 0.91 0.04 . 1 . . . . . . . . 4100 1 1138 . 1 1 115 115 ILE HG23 H 1 0.91 0.04 . 1 . . . . . . . . 4100 1 1139 . 1 1 115 115 ILE HD11 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1140 . 1 1 115 115 ILE HD12 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1141 . 1 1 115 115 ILE HD13 H 1 0.88 0.04 . 1 . . . . . . . . 4100 1 1142 . 1 1 115 115 ILE CA C 13 61.20 0.50 . 1 . . . . . . . . 4100 1 1143 . 1 1 115 115 ILE CB C 13 38.90 0.50 . 1 . . . . . . . . 4100 1 1144 . 1 1 115 115 ILE CG1 C 13 27.15 0.50 . 1 . . . . . . . . 4100 1 1145 . 1 1 115 115 ILE CG2 C 13 17.51 0.50 . 1 . . . . . . . . 4100 1 1146 . 1 1 115 115 ILE CD1 C 13 12.94 0.50 . 1 . . . . . . . . 4100 1 1147 . 1 1 115 115 ILE N N 15 121.31 0.50 . 1 . . . . . . . . 4100 1 1148 . 1 1 116 116 LYS H H 1 8.38 0.04 . 1 . . . . . . . . 4100 1 1149 . 1 1 116 116 LYS HA H 1 4.65 0.04 . 1 . . . . . . . . 4100 1 1150 . 1 1 116 116 LYS HB2 H 1 1.86 0.04 . 2 . . . . . . . . 4100 1 1151 . 1 1 116 116 LYS HB3 H 1 1.76 0.04 . 2 . . . . . . . . 4100 1 1152 . 1 1 116 116 LYS HG2 H 1 1.46 0.04 . 1 . . . . . . . . 4100 1 1153 . 1 1 116 116 LYS HG3 H 1 1.46 0.04 . 1 . . . . . . . . 4100 1 1154 . 1 1 116 116 LYS HD2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1155 . 1 1 116 116 LYS HD3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1156 . 1 1 116 116 LYS HE2 H 1 3.01 0.04 . 1 . . . . . . . . 4100 1 1157 . 1 1 116 116 LYS HE3 H 1 3.01 0.04 . 1 . . . . . . . . 4100 1 1158 . 1 1 116 116 LYS CA C 13 54.00 0.50 . 1 . . . . . . . . 4100 1 1159 . 1 1 116 116 LYS CB C 13 32.80 0.50 . 1 . . . . . . . . 4100 1 1160 . 1 1 116 116 LYS CG C 13 24.40 0.50 . 1 . . . . . . . . 4100 1 1161 . 1 1 116 116 LYS CD C 13 29.20 0.50 . 1 . . . . . . . . 4100 1 1162 . 1 1 116 116 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4100 1 1163 . 1 1 116 116 LYS N N 15 126.73 0.50 . 1 . . . . . . . . 4100 1 1164 . 1 1 117 117 PRO HA H 1 4.44 0.04 . 1 . . . . . . . . 4100 1 1165 . 1 1 117 117 PRO HB2 H 1 2.32 0.04 . 2 . . . . . . . . 4100 1 1166 . 1 1 117 117 PRO HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 1167 . 1 1 117 117 PRO HG2 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 1168 . 1 1 117 117 PRO HG3 H 1 2.03 0.04 . 1 . . . . . . . . 4100 1 1169 . 1 1 117 117 PRO HD2 H 1 3.85 0.04 . 2 . . . . . . . . 4100 1 1170 . 1 1 117 117 PRO HD3 H 1 3.65 0.04 . 2 . . . . . . . . 4100 1 1171 . 1 1 117 117 PRO CA C 13 63.10 0.50 . 1 . . . . . . . . 4100 1 1172 . 1 1 117 117 PRO CB C 13 32.00 0.50 . 1 . . . . . . . . 4100 1 1173 . 1 1 117 117 PRO CG C 13 27.50 0.50 . 1 . . . . . . . . 4100 1 1174 . 1 1 117 117 PRO CD C 13 50.80 0.50 . 1 . . . . . . . . 4100 1 1175 . 1 1 118 118 ARG H H 1 8.45 0.04 . 1 . . . . . . . . 4100 1 1176 . 1 1 118 118 ARG HA H 1 4.33 0.04 . 1 . . . . . . . . 4100 1 1177 . 1 1 118 118 ARG HB2 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 1178 . 1 1 118 118 ARG HB3 H 1 1.84 0.04 . 1 . . . . . . . . 4100 1 1179 . 1 1 118 118 ARG HD2 H 1 3.21 0.04 . 1 . . . . . . . . 4100 1 1180 . 1 1 118 118 ARG HD3 H 1 3.21 0.04 . 1 . . . . . . . . 4100 1 1181 . 1 1 118 118 ARG CA C 13 56.40 0.50 . 1 . . . . . . . . 4100 1 1182 . 1 1 118 118 ARG CB C 13 31.20 0.50 . 1 . . . . . . . . 4100 1 1183 . 1 1 118 118 ARG CG C 13 27.40 0.50 . 1 . . . . . . . . 4100 1 1184 . 1 1 118 118 ARG CD C 13 43.40 0.50 . 1 . . . . . . . . 4100 1 1185 . 1 1 118 118 ARG N N 15 121.65 0.50 . 1 . . . . . . . . 4100 1 1186 . 1 1 119 119 LYS H H 1 8.43 0.04 . 1 . . . . . . . . 4100 1 1187 . 1 1 119 119 LYS HA H 1 4.36 0.04 . 1 . . . . . . . . 4100 1 1188 . 1 1 119 119 LYS HB2 H 1 1.88 0.04 . 2 . . . . . . . . 4100 1 1189 . 1 1 119 119 LYS HB3 H 1 1.82 0.04 . 2 . . . . . . . . 4100 1 1190 . 1 1 119 119 LYS HD2 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1191 . 1 1 119 119 LYS HD3 H 1 1.72 0.04 . 1 . . . . . . . . 4100 1 1192 . 1 1 119 119 LYS HE2 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 1193 . 1 1 119 119 LYS HE3 H 1 3.00 0.04 . 1 . . . . . . . . 4100 1 1194 . 1 1 119 119 LYS CA C 13 56.70 0.50 . 1 . . . . . . . . 4100 1 1195 . 1 1 119 119 LYS CB C 13 33.40 0.50 . 1 . . . . . . . . 4100 1 1196 . 1 1 119 119 LYS CG C 13 24.62 0.50 . 1 . . . . . . . . 4100 1 1197 . 1 1 119 119 LYS CD C 13 28.68 0.50 . 1 . . . . . . . . 4100 1 1198 . 1 1 119 119 LYS CE C 13 41.87 0.50 . 1 . . . . . . . . 4100 1 1199 . 1 1 119 119 LYS N N 15 123.60 0.50 . 1 . . . . . . . . 4100 1 stop_ save_