data_4649 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4649 _Entry.Title ; NMR Structure of N-terminal Domain of HTLV-I CA1-134 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-05 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2001-05-09 _Entry.Original_release_date 2001-05-09 _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 C. Cornilescu . . . 4649 2 F. Bouamr . . . 4649 3 X. Yao . . . 4649 4 C. Carter . . . 4649 5 N. Tjandra . . . 4649 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4649 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 4649 '1H chemical shifts' 621 4649 '15N chemical shifts' 121 4649 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 . . 2001-05-09 2000-10-05 original author . 4649 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4649 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 11243788 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural Analysis of the N-terminal Domain of the Human T-Cell Leukemia Virus Capsid Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 306 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 783 _Citation.Page_last 797 _Citation.Year 2001 _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 C. Cornilescu . . . 4649 1 2 F. Bouamr . . . 4649 1 3 X. Yao . . . 4649 1 4 C. Carter . . . 4649 1 5 N. Tjandra . . . 4649 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Beta Hairpin loop' 4649 1 'helix core' 4649 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HTLV-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HTLV-I _Assembly.Entry_ID 4649 _Assembly.ID 1 _Assembly.Name 'HTLV-I CAPSID PROTEIN' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4649 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 'HTLV-I Capsid Protein' 1 $HTLV-I . . . native . . . . . 4649 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 1G03 . . . . . . 4649 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HTLV-I CAPSID PROTEIN' system 4649 1 HTLV-I abbreviation 4649 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HTLV-I _Entity.Sf_category entity _Entity.Sf_framecode HTLV-I _Entity.Entry_ID 4649 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HTLV-I CAPSID PROTEIN' _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 ; PVMHPHGAPPNHRPWQMKDL QAIKQEVSQAAPGSPQFMQT IRLAVQQFDPTAKDLQDLLQ YLCSSLVASLHHQQLDSLIS EAETRGITSYNPLAGPLRVQ ANNPQQQGLRREYQQLWLAA FAALPGSAKDPSWA ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4311 . "human T-cell leukemia virus type I capsid protein" . . . . . 91.04 214 97.54 97.54 2.56e-76 . . . . 4649 1 2 no PDB 1G03 . "Nmr Structure Of N-Terminal Domain Of Htlv-I Ca1-134" . . . . . 99.25 134 100.00 100.00 2.86e-90 . . . . 4649 1 3 no PDB 1QRJ . "Solution Structure Of Htlv-i Capsid Protein" . . . . . 91.04 214 97.54 97.54 2.56e-76 . . . . 4649 1 4 no DBJ BAA02929 . "gag polyprotein precursor [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 4.45e-86 . . . . 4649 1 5 no DBJ BAF31288 . "gag protein [eukaryotic synthetic construct]" . . . . . 100.00 429 98.51 100.00 1.63e-85 . . . . 4649 1 6 no DBJ BAH85785 . "Gag protein [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 4.50e-86 . . . . 4649 1 7 no DBJ BAP28584 . "Gag protein [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 3.63e-86 . . . . 4649 1 8 no EMBL CAA34075 . "unnamed protein product [Human T-lymphotropic virus 1]" . . . . . 100.00 429 100.00 100.00 9.61e-87 . . . . 4649 1 9 no EMBL CAA62992 . "p24 protein [Human T-lymphotropic virus 1]" . . . . . 99.25 213 99.25 99.25 5.45e-89 . . . . 4649 1 10 no GB AAA85325 . "gag protein [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 5.12e-86 . . . . 4649 1 11 no GB AAA85841 . "gag [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 4.50e-86 . . . . 4649 1 12 no GB AAA96672 . "gag [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 3.26e-86 . . . . 4649 1 13 no GB AAB20767 . "Gag [Human T-lymphotropic virus 1]" . . . . . 100.00 429 98.51 99.25 2.88e-85 . . . . 4649 1 14 no GB AAC00185 . "gag protein [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 4.50e-86 . . . . 4649 1 15 no REF NP_049558 . "gag polyprotein [Simian T-lymphotropic virus 1]" . . . . . 100.00 428 98.51 99.25 4.31e-85 . . . . 4649 1 16 no REF NP_057860 . "Pr gag-pro-pol [Human T-lymphotropic virus 1]" . . . . . 100.00 1462 99.25 99.25 5.70e-81 . . . . 4649 1 17 no REF NP_057861 . "Pr gag-pro [Human T-lymphotropic virus 1]" . . . . . 100.00 651 99.25 99.25 3.64e-84 . . . . 4649 1 18 no REF NP_057862 . "Pr55 [Human T-lymphotropic virus 1]" . . . . . 100.00 429 99.25 99.25 4.45e-86 . . . . 4649 1 19 no REF NP_955618 . "p24 CA [Human T-lymphotropic virus 1]" . . . . . 100.00 215 99.25 99.25 8.73e-90 . . . . 4649 1 20 no SP P03345 . "RecName: Full=Gag polyprotein; AltName: Full=Pr53Gag; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: RecName: " . . . . . 100.00 429 99.25 99.25 3.40e-86 . . . . 4649 1 21 no SP P03362 . "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" . . . . . 100.00 1462 99.25 99.25 5.59e-81 . . . . 4649 1 22 no SP P0C209 . "RecName: Full=Gag polyprotein; AltName: Full=Pr53Gag; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: RecName: " . . . . . 100.00 429 97.01 97.01 4.97e-84 . . . . 4649 1 23 no SP P0C210 . "RecName: Full=Gag-Pro polyprotein; AltName: Full=Pr76Gag-Pro; Contains: RecName: Full=Matrix protein p19; Short=MA; Contains: R" . . . . . 100.00 651 97.01 97.01 4.06e-82 . . . . 4649 1 24 no SP P0C211 . "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" . . . . . 100.00 1462 97.01 97.01 3.76e-79 . . . . 4649 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HTLV-I CAPSID PROTEIN' common 4649 1 HTLV-I abbreviation 4649 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 . PRO . 4649 1 2 . VAL . 4649 1 3 . MET . 4649 1 4 . HIS . 4649 1 5 . PRO . 4649 1 6 . HIS . 4649 1 7 . GLY . 4649 1 8 . ALA . 4649 1 9 . PRO . 4649 1 10 . PRO . 4649 1 11 . ASN . 4649 1 12 . HIS . 4649 1 13 . ARG . 4649 1 14 . PRO . 4649 1 15 . TRP . 4649 1 16 . GLN . 4649 1 17 . MET . 4649 1 18 . LYS . 4649 1 19 . ASP . 4649 1 20 . LEU . 4649 1 21 . GLN . 4649 1 22 . ALA . 4649 1 23 . ILE . 4649 1 24 . LYS . 4649 1 25 . GLN . 4649 1 26 . GLU . 4649 1 27 . VAL . 4649 1 28 . SER . 4649 1 29 . GLN . 4649 1 30 . ALA . 4649 1 31 . ALA . 4649 1 32 . PRO . 4649 1 33 . GLY . 4649 1 34 . SER . 4649 1 35 . PRO . 4649 1 36 . GLN . 4649 1 37 . PHE . 4649 1 38 . MET . 4649 1 39 . GLN . 4649 1 40 . THR . 4649 1 41 . ILE . 4649 1 42 . ARG . 4649 1 43 . LEU . 4649 1 44 . ALA . 4649 1 45 . VAL . 4649 1 46 . GLN . 4649 1 47 . GLN . 4649 1 48 . PHE . 4649 1 49 . ASP . 4649 1 50 . PRO . 4649 1 51 . THR . 4649 1 52 . ALA . 4649 1 53 . LYS . 4649 1 54 . ASP . 4649 1 55 . LEU . 4649 1 56 . GLN . 4649 1 57 . ASP . 4649 1 58 . LEU . 4649 1 59 . LEU . 4649 1 60 . GLN . 4649 1 61 . TYR . 4649 1 62 . LEU . 4649 1 63 . CYS . 4649 1 64 . SER . 4649 1 65 . SER . 4649 1 66 . LEU . 4649 1 67 . VAL . 4649 1 68 . ALA . 4649 1 69 . SER . 4649 1 70 . LEU . 4649 1 71 . HIS . 4649 1 72 . HIS . 4649 1 73 . GLN . 4649 1 74 . GLN . 4649 1 75 . LEU . 4649 1 76 . ASP . 4649 1 77 . SER . 4649 1 78 . LEU . 4649 1 79 . ILE . 4649 1 80 . SER . 4649 1 81 . GLU . 4649 1 82 . ALA . 4649 1 83 . GLU . 4649 1 84 . THR . 4649 1 85 . ARG . 4649 1 86 . GLY . 4649 1 87 . ILE . 4649 1 88 . THR . 4649 1 89 . SER . 4649 1 90 . TYR . 4649 1 91 . ASN . 4649 1 92 . PRO . 4649 1 93 . LEU . 4649 1 94 . ALA . 4649 1 95 . GLY . 4649 1 96 . PRO . 4649 1 97 . LEU . 4649 1 98 . ARG . 4649 1 99 . VAL . 4649 1 100 . GLN . 4649 1 101 . ALA . 4649 1 102 . ASN . 4649 1 103 . ASN . 4649 1 104 . PRO . 4649 1 105 . GLN . 4649 1 106 . GLN . 4649 1 107 . GLN . 4649 1 108 . GLY . 4649 1 109 . LEU . 4649 1 110 . ARG . 4649 1 111 . ARG . 4649 1 112 . GLU . 4649 1 113 . TYR . 4649 1 114 . GLN . 4649 1 115 . GLN . 4649 1 116 . LEU . 4649 1 117 . TRP . 4649 1 118 . LEU . 4649 1 119 . ALA . 4649 1 120 . ALA . 4649 1 121 . PHE . 4649 1 122 . ALA . 4649 1 123 . ALA . 4649 1 124 . LEU . 4649 1 125 . PRO . 4649 1 126 . GLY . 4649 1 127 . SER . 4649 1 128 . ALA . 4649 1 129 . LYS . 4649 1 130 . ASP . 4649 1 131 . PRO . 4649 1 132 . SER . 4649 1 133 . TRP . 4649 1 134 . ALA . 4649 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 . PRO 1 1 4649 1 . VAL 2 2 4649 1 . MET 3 3 4649 1 . HIS 4 4 4649 1 . PRO 5 5 4649 1 . HIS 6 6 4649 1 . GLY 7 7 4649 1 . ALA 8 8 4649 1 . PRO 9 9 4649 1 . PRO 10 10 4649 1 . ASN 11 11 4649 1 . HIS 12 12 4649 1 . ARG 13 13 4649 1 . PRO 14 14 4649 1 . TRP 15 15 4649 1 . GLN 16 16 4649 1 . MET 17 17 4649 1 . LYS 18 18 4649 1 . ASP 19 19 4649 1 . LEU 20 20 4649 1 . GLN 21 21 4649 1 . ALA 22 22 4649 1 . ILE 23 23 4649 1 . LYS 24 24 4649 1 . GLN 25 25 4649 1 . GLU 26 26 4649 1 . VAL 27 27 4649 1 . SER 28 28 4649 1 . GLN 29 29 4649 1 . ALA 30 30 4649 1 . ALA 31 31 4649 1 . PRO 32 32 4649 1 . GLY 33 33 4649 1 . SER 34 34 4649 1 . PRO 35 35 4649 1 . GLN 36 36 4649 1 . PHE 37 37 4649 1 . MET 38 38 4649 1 . GLN 39 39 4649 1 . THR 40 40 4649 1 . ILE 41 41 4649 1 . ARG 42 42 4649 1 . LEU 43 43 4649 1 . ALA 44 44 4649 1 . VAL 45 45 4649 1 . GLN 46 46 4649 1 . GLN 47 47 4649 1 . PHE 48 48 4649 1 . ASP 49 49 4649 1 . PRO 50 50 4649 1 . THR 51 51 4649 1 . ALA 52 52 4649 1 . LYS 53 53 4649 1 . ASP 54 54 4649 1 . LEU 55 55 4649 1 . GLN 56 56 4649 1 . ASP 57 57 4649 1 . LEU 58 58 4649 1 . LEU 59 59 4649 1 . GLN 60 60 4649 1 . TYR 61 61 4649 1 . LEU 62 62 4649 1 . CYS 63 63 4649 1 . SER 64 64 4649 1 . SER 65 65 4649 1 . LEU 66 66 4649 1 . VAL 67 67 4649 1 . ALA 68 68 4649 1 . SER 69 69 4649 1 . LEU 70 70 4649 1 . HIS 71 71 4649 1 . HIS 72 72 4649 1 . GLN 73 73 4649 1 . GLN 74 74 4649 1 . LEU 75 75 4649 1 . ASP 76 76 4649 1 . SER 77 77 4649 1 . LEU 78 78 4649 1 . ILE 79 79 4649 1 . SER 80 80 4649 1 . GLU 81 81 4649 1 . ALA 82 82 4649 1 . GLU 83 83 4649 1 . THR 84 84 4649 1 . ARG 85 85 4649 1 . GLY 86 86 4649 1 . ILE 87 87 4649 1 . THR 88 88 4649 1 . SER 89 89 4649 1 . TYR 90 90 4649 1 . ASN 91 91 4649 1 . PRO 92 92 4649 1 . LEU 93 93 4649 1 . ALA 94 94 4649 1 . GLY 95 95 4649 1 . PRO 96 96 4649 1 . LEU 97 97 4649 1 . ARG 98 98 4649 1 . VAL 99 99 4649 1 . GLN 100 100 4649 1 . ALA 101 101 4649 1 . ASN 102 102 4649 1 . ASN 103 103 4649 1 . PRO 104 104 4649 1 . GLN 105 105 4649 1 . GLN 106 106 4649 1 . GLN 107 107 4649 1 . GLY 108 108 4649 1 . LEU 109 109 4649 1 . ARG 110 110 4649 1 . ARG 111 111 4649 1 . GLU 112 112 4649 1 . TYR 113 113 4649 1 . GLN 114 114 4649 1 . GLN 115 115 4649 1 . LEU 116 116 4649 1 . TRP 117 117 4649 1 . LEU 118 118 4649 1 . ALA 119 119 4649 1 . ALA 120 120 4649 1 . PHE 121 121 4649 1 . ALA 122 122 4649 1 . ALA 123 123 4649 1 . LEU 124 124 4649 1 . PRO 125 125 4649 1 . GLY 126 126 4649 1 . SER 127 127 4649 1 . ALA 128 128 4649 1 . LYS 129 129 4649 1 . ASP 130 130 4649 1 . PRO 131 131 4649 1 . SER 132 132 4649 1 . TRP 133 133 4649 1 . ALA 134 134 4649 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 4649 _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 $HTLV-I . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4649 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 4649 _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 $HTLV-I . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 4649 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4649 _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 'HTLV-I CAPSID PROTEIN' '[U-15N; U-13C]' . . 1 $HTLV-I . . 0.6 . . mM . . . . 4649 1 2 H2O . . . . . . . 95 . . % . . . . 4649 1 3 D2O . . . . . . . 5 . . % . . . . 4649 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4649 _Sample.ID 2 _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 'HTLV-I CAPSID PROTEIN' '[U-15N; U-13C]' . . 1 $HTLV-I . . 0.6 . . mM . . . . 4649 2 2 D2O . . . . . . . 99.9 . . % . . . . 4649 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4649 _Sample.ID 3 _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 'HTLV-I CAPSID PROTEIN' [U-15N] . . 1 $HTLV-I . . 0.6 . . mM . . . . 4649 3 2 H2O . . . . . . . 95 . . % . . . . 4649 3 3 D2O . . . . . . . 5 . . % . . . . 4649 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4649 _Sample.ID 4 _Sample.Type 'solution/partial magnetic alignement' _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 'HTLV-I CAPSID PROTEIN' '[U-15N; U-4% 13C DMPC/DHPC 3:1]' . . 1 $HTLV-I . . 0.6 . . mM . . . . 4649 4 2 H2O . . . . . . . 95 . . % . . . . 4649 4 3 D2O . . . . . . . 5 . . % . . . . 4649 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4649 _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 . pH 4649 1 temperature 300 . K 4649 1 'ionic strength' 10 . mM 4649 1 pressure 1 . atm 4649 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 4649 _Sample_condition_list.ID 2 _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 . pH 4649 2 temperature 302 . K 4649 2 'ionic strength' 10 . mM 4649 2 pressure 1 . atm 4649 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4649 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.840 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4649 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4649 _Software.ID 2 _Software.Name XWINNMR _Software.Version 2.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4649 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4649 _Software.ID 3 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details DeLaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4649 3 stop_ save_ save_PIPP_STAPP _Software.Sf_category software _Software.Sf_framecode PIPP_STAPP _Software.Entry_ID 4649 _Software.ID 4 _Software.Name PIPP_STAPP _Software.Version 4.2.8 _Software.Details Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4649 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4649 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4649 _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 Bruker DMX . 800 . . . 4649 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 4649 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D 13C/15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4649 1 2 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4649 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4649 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4649 _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 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4649 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4649 1 C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4649 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4649 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4649 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 181.3046 . . . . . . . . . . . 4649 1 2 . 1 1 1 1 PRO CA C 13 63.1070 . . . . . . . . . . . 4649 1 3 . 1 1 1 1 PRO CB C 13 32.6360 . . . . . . . . . . . 4649 1 4 . 1 1 1 1 PRO HA H 1 3.2430 . . . . . . . . . . . 4649 1 5 . 1 1 2 2 VAL C C 13 174.9551 . . . . . . . . . . . 4649 1 6 . 1 1 2 2 VAL CA C 13 63.1404 . . . . . . . . . . . 4649 1 7 . 1 1 2 2 VAL CB C 13 31.3257 . . . . . . . . . . . 4649 1 8 . 1 1 2 2 VAL CG1 C 13 23.760 . . . . . . . . . . . 4649 1 9 . 1 1 2 2 VAL CG2 C 13 23.760 . . . . . . . . . . . 4649 1 10 . 1 1 2 2 VAL HA H 1 4.5400 . . . . . . . . . . . 4649 1 11 . 1 1 2 2 VAL HB H 1 2.4250 . . . . . . . . . . . 4649 1 12 . 1 1 2 2 VAL HG11 H 1 0.8270 . . . . . . . . . . . 4649 1 13 . 1 1 2 2 VAL HG12 H 1 0.8270 . . . . . . . . . . . 4649 1 14 . 1 1 2 2 VAL HG13 H 1 0.8270 . . . . . . . . . . . 4649 1 15 . 1 1 2 2 VAL HG21 H 1 0.8270 . . . . . . . . . . . 4649 1 16 . 1 1 2 2 VAL HG22 H 1 0.8270 . . . . . . . . . . . 4649 1 17 . 1 1 2 2 VAL HG23 H 1 0.8270 . . . . . . . . . . . 4649 1 18 . 1 1 2 2 VAL H H 1 8.0496 . . . . . . . . . . . 4649 1 19 . 1 1 2 2 VAL N N 15 126.3568 . . . . . . . . . . . 4649 1 20 . 1 1 3 3 MET C C 13 176.3508 . . . . . . . . . . . 4649 1 21 . 1 1 3 3 MET CA C 13 53.2120 . . . . . . . . . . . 4649 1 22 . 1 1 3 3 MET CB C 13 33.1119 . . . . . . . . . . . 4649 1 23 . 1 1 3 3 MET CE C 13 17.0800 . . . . . . . . . . . 4649 1 24 . 1 1 3 3 MET CG C 13 32.4980 . . . . . . . . . . . 4649 1 25 . 1 1 3 3 MET HA H 1 4.5300 . . . . . . . . . . . 4649 1 26 . 1 1 3 3 MET HG3 H 1 2.3070 . . . . . . . . . . . 4649 1 27 . 1 1 3 3 MET HG2 H 1 2.3070 . . . . . . . . . . . 4649 1 28 . 1 1 3 3 MET HE1 H 1 2.0000 . . . . . . . . . . . 4649 1 29 . 1 1 3 3 MET HE2 H 1 2.0000 . . . . . . . . . . . 4649 1 30 . 1 1 3 3 MET HE3 H 1 2.0000 . . . . . . . . . . . 4649 1 31 . 1 1 3 3 MET H H 1 8.6917 . . . . . . . . . . . 4649 1 32 . 1 1 3 3 MET N N 15 125.3851 . . . . . . . . . . . 4649 1 33 . 1 1 4 4 HIS CA C 13 53.1841 . . . . . . . . . . . 4649 1 34 . 1 1 4 4 HIS CB C 13 29.3195 . . . . . . . . . . . 4649 1 35 . 1 1 4 4 HIS HA H 1 5.0300 . . . . . . . . . . . 4649 1 36 . 1 1 4 4 HIS HB2 H 1 3.0500 . . . . . . . . . . . 4649 1 37 . 1 1 4 4 HIS H H 1 8.6496 . . . . . . . . . . . 4649 1 38 . 1 1 4 4 HIS N N 15 116.8978 . . . . . . . . . . . 4649 1 39 . 1 1 5 5 PRO C C 13 178.2143 . . . . . . . . . . . 4649 1 40 . 1 1 5 5 PRO CA C 13 62.4400 . . . . . . . . . . . 4649 1 41 . 1 1 5 5 PRO HA H 1 4.4090 . . . . . . . . . . . 4649 1 42 . 1 1 5 5 PRO HB2 H 1 1.7660 . . . . . . . . . . . 4649 1 43 . 1 1 6 6 HIS CA C 13 57.5230 . . . . . . . . . . . 4649 1 44 . 1 1 6 6 HIS CB C 13 29.6100 . . . . . . . . . . . 4649 1 45 . 1 1 6 6 HIS HB3 H 1 3.1220 . . . . . . . . . . . 4649 1 46 . 1 1 6 6 HIS H H 1 8.7525 . . . . . . . . . . . 4649 1 47 . 1 1 6 6 HIS N N 15 121.0032 . . . . . . . . . . . 4649 1 48 . 1 1 7 7 GLY C C 13 173.6128 . . . . . . . . . . . 4649 1 49 . 1 1 7 7 GLY CA C 13 46.1440 . . . . . . . . . . . 4649 1 50 . 1 1 7 7 GLY HA2 H 1 3.8280 . . . . . . . . . . . 4649 1 51 . 1 1 7 7 GLY HA3 H 1 3.6165 . . . . . . . . . . . 4649 1 52 . 1 1 7 7 GLY H H 1 8.7525 . . . . . . . . . . . 4649 1 53 . 1 1 7 7 GLY N N 15 113.6530 . . . . . . . . . . . 4649 1 54 . 1 1 8 8 ALA CA C 13 49.9139 . . . . . . . . . . . 4649 1 55 . 1 1 8 8 ALA CB C 13 20.4234 . . . . . . . . . . . 4649 1 56 . 1 1 8 8 ALA HA H 1 4.8910 . . . . . . . . . . . 4649 1 57 . 1 1 8 8 ALA HB1 H 1 1.2260 . . . . . . . . . . . 4649 1 58 . 1 1 8 8 ALA HB2 H 1 1.2260 . . . . . . . . . . . 4649 1 59 . 1 1 8 8 ALA HB3 H 1 1.2260 . . . . . . . . . . . 4649 1 60 . 1 1 8 8 ALA H H 1 7.3344 . . . . . . . . . . . 4649 1 61 . 1 1 8 8 ALA N N 15 122.0419 . . . . . . . . . . . 4649 1 62 . 1 1 9 9 PRO CB C 13 31.9455 . . . . . . . . . . . 4649 1 63 . 1 1 9 9 PRO CD C 13 50.8100 . . . . . . . . . . . 4649 1 64 . 1 1 9 9 PRO HB2 H 1 2.2130 . . . . . . . . . . . 4649 1 65 . 1 1 9 9 PRO HB3 H 1 1.8310 . . . . . . . . . . . 4649 1 66 . 1 1 9 9 PRO HD2 H 1 3.7555 . . . . . . . . . . . 4649 1 67 . 1 1 9 9 PRO HD3 H 1 3.5618 . . . . . . . . . . . 4649 1 68 . 1 1 10 10 PRO C C 13 176.7910 . . . . . . . . . . . 4649 1 69 . 1 1 10 10 PRO CA C 13 62.8030 . . . . . . . . . . . 4649 1 70 . 1 1 10 10 PRO CB C 13 32.4130 . . . . . . . . . . . 4649 1 71 . 1 1 10 10 PRO HA H 1 4.7140 . . . . . . . . . . . 4649 1 72 . 1 1 10 10 PRO HB2 H 1 1.9730 . . . . . . . . . . . 4649 1 73 . 1 1 10 10 PRO HB3 H 1 1.4300 . . . . . . . . . . . 4649 1 74 . 1 1 11 11 ASN C C 13 173.3540 . . . . . . . . . . . 4649 1 75 . 1 1 11 11 ASN CA C 13 52.2421 . . . . . . . . . . . 4649 1 76 . 1 1 11 11 ASN CB C 13 42.4701 . . . . . . . . . . . 4649 1 77 . 1 1 11 11 ASN HA H 1 4.8580 . . . . . . . . . . . 4649 1 78 . 1 1 11 11 ASN HB2 H 1 2.5880 . . . . . . . . . . . 4649 1 79 . 1 1 11 11 ASN H H 1 7.9832 . . . . . . . . . . . 4649 1 80 . 1 1 11 11 ASN N N 15 115.4627 . . . . . . . . . . . 4649 1 81 . 1 1 12 12 HIS C C 13 175.0332 . . . . . . . . . . . 4649 1 82 . 1 1 12 12 HIS CA C 13 56.4816 . . . . . . . . . . . 4649 1 83 . 1 1 12 12 HIS CB C 13 33.0759 . . . . . . . . . . . 4649 1 84 . 1 1 12 12 HIS HA H 1 5.0700 . . . . . . . . . . . 4649 1 85 . 1 1 12 12 HIS HB2 H 1 2.9680 . . . . . . . . . . . 4649 1 86 . 1 1 12 12 HIS HB3 H 1 2.7570 . . . . . . . . . . . 4649 1 87 . 1 1 12 12 HIS H H 1 9.0373 . . . . . . . . . . . 4649 1 88 . 1 1 12 12 HIS N N 15 121.8899 . . . . . . . . . . . 4649 1 89 . 1 1 13 13 ARG CA C 13 52.2971 . . . . . . . . . . . 4649 1 90 . 1 1 13 13 ARG CB C 13 32.6246 . . . . . . . . . . . 4649 1 91 . 1 1 13 13 ARG H H 1 8.0569 . . . . . . . . . . . 4649 1 92 . 1 1 13 13 ARG N N 15 125.2146 . . . . . . . . . . . 4649 1 93 . 1 1 14 14 PRO C C 13 178.0986 . . . . . . . . . . . 4649 1 94 . 1 1 14 14 PRO CA C 13 61.9820 . . . . . . . . . . . 4649 1 95 . 1 1 14 14 PRO CB C 13 32.6120 . . . . . . . . . . . 4649 1 96 . 1 1 14 14 PRO CD C 13 50.8970 . . . . . . . . . . . 4649 1 97 . 1 1 14 14 PRO CG C 13 27.5420 . . . . . . . . . . . 4649 1 98 . 1 1 14 14 PRO HA H 1 4.2960 . . . . . . . . . . . 4649 1 99 . 1 1 14 14 PRO HB2 H 1 2.4130 . . . . . . . . . . . 4649 1 100 . 1 1 14 14 PRO HB3 H 1 1.8570 . . . . . . . . . . . 4649 1 101 . 1 1 15 15 TRP C C 13 178.6749 . . . . . . . . . . . 4649 1 102 . 1 1 15 15 TRP CA C 13 58.1797 . . . . . . . . . . . 4649 1 103 . 1 1 15 15 TRP CB C 13 30.7121 . . . . . . . . . . . 4649 1 104 . 1 1 15 15 TRP HA H 1 4.2250 . . . . . . . . . . . 4649 1 105 . 1 1 15 15 TRP HB2 H 1 2.8520 . . . . . . . . . . . 4649 1 106 . 1 1 15 15 TRP H H 1 8.3776 . . . . . . . . . . . 4649 1 107 . 1 1 15 15 TRP N N 15 119.4695 . . . . . . . . . . . 4649 1 108 . 1 1 16 16 GLN C C 13 178.8458 . . . . . . . . . . . 4649 1 109 . 1 1 16 16 GLN CA C 13 54.4331 . . . . . . . . . . . 4649 1 110 . 1 1 16 16 GLN CB C 13 29.9690 . . . . . . . . . . . 4649 1 111 . 1 1 16 16 GLN CG C 13 34.7000 . . . . . . . . . . . 4649 1 112 . 1 1 16 16 GLN HA H 1 4.5440 . . . . . . . . . . . 4649 1 113 . 1 1 16 16 GLN HB2 H 1 2.2530 . . . . . . . . . . . 4649 1 114 . 1 1 16 16 GLN HB3 H 1 2.0980 . . . . . . . . . . . 4649 1 115 . 1 1 16 16 GLN HG3 H 1 2.5250 . . . . . . . . . . . 4649 1 116 . 1 1 16 16 GLN HG2 H 1 2.5250 . . . . . . . . . . . 4649 1 117 . 1 1 16 16 GLN H H 1 9.5210 . . . . . . . . . . . 4649 1 118 . 1 1 16 16 GLN N N 15 121.5017 . . . . . . . . . . . 4649 1 119 . 1 1 17 17 MET C C 13 179.2310 . . . . . . . . . . . 4649 1 120 . 1 1 17 17 MET CA C 13 58.4230 . . . . . . . . . . . 4649 1 121 . 1 1 17 17 MET CG C 13 31.8420 . . . . . . . . . . . 4649 1 122 . 1 1 17 17 MET HA H 1 4.0725 . . . . . . . . . . . 4649 1 123 . 1 1 17 17 MET HB2 H 1 1.9990 . . . . . . . . . . . 4649 1 124 . 1 1 17 17 MET H H 1 9.1110 . . . . . . . . . . . 4649 1 125 . 1 1 17 17 MET N N 15 126.1410 . . . . . . . . . . . 4649 1 126 . 1 1 18 18 LYS C C 13 179.7542 . . . . . . . . . . . 4649 1 127 . 1 1 18 18 LYS CA C 13 59.1607 . . . . . . . . . . . 4649 1 128 . 1 1 18 18 LYS CB C 13 32.0177 . . . . . . . . . . . 4649 1 129 . 1 1 18 18 LYS CD C 13 29.4300 . . . . . . . . . . . 4649 1 130 . 1 1 18 18 LYS CG C 13 24.4870 . . . . . . . . . . . 4649 1 131 . 1 1 18 18 LYS HA H 1 4.0710 . . . . . . . . . . . 4649 1 132 . 1 1 18 18 LYS HB2 H 1 1.8070 . . . . . . . . . . . 4649 1 133 . 1 1 18 18 LYS HG2 H 1 1.3820 . . . . . . . . . . . 4649 1 134 . 1 1 18 18 LYS H H 1 8.6608 . . . . . . . . . . . 4649 1 135 . 1 1 18 18 LYS N N 15 115.7801 . . . . . . . . . . . 4649 1 136 . 1 1 19 19 ASP C C 13 178.5782 . . . . . . . . . . . 4649 1 137 . 1 1 19 19 ASP CA C 13 57.3422 . . . . . . . . . . . 4649 1 138 . 1 1 19 19 ASP CB C 13 41.8161 . . . . . . . . . . . 4649 1 139 . 1 1 19 19 ASP HA H 1 4.5330 . . . . . . . . . . . 4649 1 140 . 1 1 19 19 ASP HB2 H 1 2.8420 . . . . . . . . . . . 4649 1 141 . 1 1 19 19 ASP H H 1 7.1200 . . . . . . . . . . . 4649 1 142 . 1 1 19 19 ASP N N 15 119.5207 . . . . . . . . . . . 4649 1 143 . 1 1 20 20 LEU C C 13 179.5608 . . . . . . . . . . . 4649 1 144 . 1 1 20 20 LEU CA C 13 57.6163 . . . . . . . . . . . 4649 1 145 . 1 1 20 20 LEU CB C 13 39.9731 . . . . . . . . . . . 4649 1 146 . 1 1 20 20 LEU HA H 1 3.2350 . . . . . . . . . . . 4649 1 147 . 1 1 20 20 LEU HB2 H 1 1.1320 . . . . . . . . . . . 4649 1 148 . 1 1 20 20 LEU H H 1 6.8898 . . . . . . . . . . . 4649 1 149 . 1 1 20 20 LEU N N 15 119.1425 . . . . . . . . . . . 4649 1 150 . 1 1 21 21 GLN C C 13 179.5416 . . . . . . . . . . . 4649 1 151 . 1 1 21 21 GLN CA C 13 59.0045 . . . . . . . . . . . 4649 1 152 . 1 1 21 21 GLN CB C 13 28.5253 . . . . . . . . . . . 4649 1 153 . 1 1 21 21 GLN CG C 13 34.4800 . . . . . . . . . . . 4649 1 154 . 1 1 21 21 GLN HA H 1 4.0600 . . . . . . . . . . . 4649 1 155 . 1 1 21 21 GLN HB2 H 1 2.0800 . . . . . . . . . . . 4649 1 156 . 1 1 21 21 GLN HB3 H 1 1.9995 . . . . . . . . . . . 4649 1 157 . 1 1 21 21 GLN HG2 H 1 2.4580 . . . . . . . . . . . 4649 1 158 . 1 1 21 21 GLN H H 1 8.4754 . . . . . . . . . . . 4649 1 159 . 1 1 21 21 GLN N N 15 116.9288 . . . . . . . . . . . 4649 1 160 . 1 1 22 22 ALA C C 13 181.5218 . . . . . . . . . . . 4649 1 161 . 1 1 22 22 ALA CA C 13 55.4772 . . . . . . . . . . . 4649 1 162 . 1 1 22 22 ALA CB C 13 18.1730 . . . . . . . . . . . 4649 1 163 . 1 1 22 22 ALA HA H 1 4.1470 . . . . . . . . . . . 4649 1 164 . 1 1 22 22 ALA HB1 H 1 1.6220 . . . . . . . . . . . 4649 1 165 . 1 1 22 22 ALA HB2 H 1 1.6220 . . . . . . . . . . . 4649 1 166 . 1 1 22 22 ALA HB3 H 1 1.6220 . . . . . . . . . . . 4649 1 167 . 1 1 22 22 ALA H H 1 7.5227 . . . . . . . . . . . 4649 1 168 . 1 1 22 22 ALA N N 15 122.1499 . . . . . . . . . . . 4649 1 169 . 1 1 23 23 ILE C C 13 178.4758 . . . . . . . . . . . 4649 1 170 . 1 1 23 23 ILE CA C 13 65.4178 . . . . . . . . . . . 4649 1 171 . 1 1 23 23 ILE CB C 13 38.7202 . . . . . . . . . . . 4649 1 172 . 1 1 23 23 ILE CG2 C 13 18.2120 . . . . . . . . . . . 4649 1 173 . 1 1 23 23 ILE HA H 1 3.6260 . . . . . . . . . . . 4649 1 174 . 1 1 23 23 ILE HB H 1 1.5750 . . . . . . . . . . . 4649 1 175 . 1 1 23 23 ILE HG21 H 1 0.6250 . . . . . . . . . . . 4649 1 176 . 1 1 23 23 ILE HG22 H 1 0.6250 . . . . . . . . . . . 4649 1 177 . 1 1 23 23 ILE HG23 H 1 0.6250 . . . . . . . . . . . 4649 1 178 . 1 1 23 23 ILE H H 1 7.6547 . . . . . . . . . . . 4649 1 179 . 1 1 23 23 ILE N N 15 119.8462 . . . . . . . . . . . 4649 1 180 . 1 1 24 24 LYS C C 13 179.9818 . . . . . . . . . . . 4649 1 181 . 1 1 24 24 LYS CA C 13 60.1172 . . . . . . . . . . . 4649 1 182 . 1 1 24 24 LYS CB C 13 33.1780 . . . . . . . . . . . 4649 1 183 . 1 1 24 24 LYS CG C 13 25.4000 . . . . . . . . . . . 4649 1 184 . 1 1 24 24 LYS HA H 1 3.7340 . . . . . . . . . . . 4649 1 185 . 1 1 24 24 LYS HB2 H 1 2.1340 . . . . . . . . . . . 4649 1 186 . 1 1 24 24 LYS HB3 H 1 1.8020 . . . . . . . . . . . 4649 1 187 . 1 1 24 24 LYS H H 1 8.2184 . . . . . . . . . . . 4649 1 188 . 1 1 24 24 LYS N N 15 119.1126 . . . . . . . . . . . 4649 1 189 . 1 1 25 25 GLN C C 13 179.6986 . . . . . . . . . . . 4649 1 190 . 1 1 25 25 GLN CA C 13 58.9654 . . . . . . . . . . . 4649 1 191 . 1 1 25 25 GLN CB C 13 28.5539 . . . . . . . . . . . 4649 1 192 . 1 1 25 25 GLN CG C 13 33.9260 . . . . . . . . . . . 4649 1 193 . 1 1 25 25 GLN HA H 1 4.0500 . . . . . . . . . . . 4649 1 194 . 1 1 25 25 GLN HB2 H 1 2.1880 . . . . . . . . . . . 4649 1 195 . 1 1 25 25 GLN HG2 H 1 2.4610 . . . . . . . . . . . 4649 1 196 . 1 1 25 25 GLN H H 1 8.3672 . . . . . . . . . . . 4649 1 197 . 1 1 25 25 GLN N N 15 118.4254 . . . . . . . . . . . 4649 1 198 . 1 1 26 26 GLU CA C 13 58.9957 . . . . . . . . . . . 4649 1 199 . 1 1 26 26 GLU CB C 13 30.1387 . . . . . . . . . . . 4649 1 200 . 1 1 26 26 GLU CG C 13 36.4720 . . . . . . . . . . . 4649 1 201 . 1 1 26 26 GLU HA H 1 4.1220 . . . . . . . . . . . 4649 1 202 . 1 1 26 26 GLU HB2 H 1 2.1540 . . . . . . . . . . . 4649 1 203 . 1 1 26 26 GLU HG2 H 1 2.4070 . . . . . . . . . . . 4649 1 204 . 1 1 26 26 GLU H H 1 7.7576 . . . . . . . . . . . 4649 1 205 . 1 1 26 26 GLU N N 15 119.6611 . . . . . . . . . . . 4649 1 206 . 1 1 27 27 VAL C C 13 177.8253 . . . . . . . . . . . 4649 1 207 . 1 1 27 27 VAL CA C 13 63.8830 . . . . . . . . . . . 4649 1 208 . 1 1 27 27 VAL CB C 13 32.1398 . . . . . . . . . . . 4649 1 209 . 1 1 27 27 VAL CG1 C 13 22.1740 . . . . . . . . . . . 4649 1 210 . 1 1 27 27 VAL CG2 C 13 22.1740 . . . . . . . . . . . 4649 1 211 . 1 1 27 27 VAL HA H 1 3.9990 . . . . . . . . . . . 4649 1 212 . 1 1 27 27 VAL HB H 1 2.4310 . . . . . . . . . . . 4649 1 213 . 1 1 27 27 VAL HG21 H 1 0.8980 . . . . . . . . . . . 4649 1 214 . 1 1 27 27 VAL HG22 H 1 0.8980 . . . . . . . . . . . 4649 1 215 . 1 1 27 27 VAL HG23 H 1 0.8980 . . . . . . . . . . . 4649 1 216 . 1 1 27 27 VAL HG11 H 1 0.8980 . . . . . . . . . . . 4649 1 217 . 1 1 27 27 VAL HG12 H 1 0.8980 . . . . . . . . . . . 4649 1 218 . 1 1 27 27 VAL HG13 H 1 0.8980 . . . . . . . . . . . 4649 1 219 . 1 1 27 27 VAL H H 1 7.9781 . . . . . . . . . . . 4649 1 220 . 1 1 27 27 VAL N N 15 114.5721 . . . . . . . . . . . 4649 1 221 . 1 1 28 28 SER C C 13 176.4376 . . . . . . . . . . . 4649 1 222 . 1 1 28 28 SER CA C 13 60.0969 . . . . . . . . . . . 4649 1 223 . 1 1 28 28 SER CB C 13 62.4397 . . . . . . . . . . . 4649 1 224 . 1 1 28 28 SER HA H 1 4.1005 . . . . . . . . . . . 4649 1 225 . 1 1 28 28 SER HB2 H 1 3.8885 . . . . . . . . . . . 4649 1 226 . 1 1 28 28 SER H H 1 7.6846 . . . . . . . . . . . 4649 1 227 . 1 1 28 28 SER N N 15 114.3726 . . . . . . . . . . . 4649 1 228 . 1 1 29 29 GLN C C 13 175.9409 . . . . . . . . . . . 4649 1 229 . 1 1 29 29 GLN CA C 13 55.6804 . . . . . . . . . . . 4649 1 230 . 1 1 29 29 GLN CB C 13 28.6628 . . . . . . . . . . . 4649 1 231 . 1 1 29 29 GLN CG C 13 34.4770 . . . . . . . . . . . 4649 1 232 . 1 1 29 29 GLN HA H 1 4.3635 . . . . . . . . . . . 4649 1 233 . 1 1 29 29 GLN HB2 H 1 2.3790 . . . . . . . . . . . 4649 1 234 . 1 1 29 29 GLN HB3 H 1 1.9900 . . . . . . . . . . . 4649 1 235 . 1 1 29 29 GLN HG2 H 1 2.3550 . . . . . . . . . . . 4649 1 236 . 1 1 29 29 GLN H H 1 8.4821 . . . . . . . . . . . 4649 1 237 . 1 1 29 29 GLN N N 15 118.1947 . . . . . . . . . . . 4649 1 238 . 1 1 30 30 ALA C C 13 177.2410 . . . . . . . . . . . 4649 1 239 . 1 1 30 30 ALA CA C 13 51.8820 . . . . . . . . . . . 4649 1 240 . 1 1 30 30 ALA CB C 13 20.3790 . . . . . . . . . . . 4649 1 241 . 1 1 30 30 ALA HA H 1 4.4250 . . . . . . . . . . . 4649 1 242 . 1 1 30 30 ALA HB1 H 1 1.4320 . . . . . . . . . . . 4649 1 243 . 1 1 30 30 ALA HB2 H 1 1.4320 . . . . . . . . . . . 4649 1 244 . 1 1 30 30 ALA HB3 H 1 1.4320 . . . . . . . . . . . 4649 1 245 . 1 1 30 30 ALA H H 1 7.9164 . . . . . . . . . . . 4649 1 246 . 1 1 30 30 ALA N N 15 124.6157 . . . . . . . . . . . 4649 1 247 . 1 1 31 31 ALA CA C 13 50.5297 . . . . . . . . . . . 4649 1 248 . 1 1 31 31 ALA CB C 13 17.8937 . . . . . . . . . . . 4649 1 249 . 1 1 31 31 ALA HB1 H 1 1.3090 . . . . . . . . . . . 4649 1 250 . 1 1 31 31 ALA HB2 H 1 1.3090 . . . . . . . . . . . 4649 1 251 . 1 1 31 31 ALA HB3 H 1 1.3090 . . . . . . . . . . . 4649 1 252 . 1 1 31 31 ALA H H 1 8.6688 . . . . . . . . . . . 4649 1 253 . 1 1 31 31 ALA N N 15 125.0308 . . . . . . . . . . . 4649 1 254 . 1 1 32 32 PRO CB C 13 31.7220 . . . . . . . . . . . 4649 1 255 . 1 1 32 32 PRO CD C 13 50.4440 . . . . . . . . . . . 4649 1 256 . 1 1 32 32 PRO CG C 13 28.4030 . . . . . . . . . . . 4649 1 257 . 1 1 32 32 PRO HB3 H 1 1.5730 . . . . . . . . . . . 4649 1 258 . 1 1 32 32 PRO HD3 H 1 3.8390 . . . . . . . . . . . 4649 1 259 . 1 1 32 32 PRO HD2 H 1 3.5070 . . . . . . . . . . . 4649 1 260 . 1 1 32 32 PRO HG3 H 1 2.2020 . . . . . . . . . . . 4649 1 261 . 1 1 32 32 PRO HG2 H 1 1.9080 . . . . . . . . . . . 4649 1 262 . 1 1 33 33 GLY C C 13 173.6673 . . . . . . . . . . . 4649 1 263 . 1 1 33 33 GLY CA C 13 45.4320 . . . . . . . . . . . 4649 1 264 . 1 1 33 33 GLY HA2 H 1 4.3300 . . . . . . . . . . . 4649 1 265 . 1 1 33 33 GLY HA3 H 1 3.5375 . . . . . . . . . . . 4649 1 266 . 1 1 33 33 GLY H H 1 5.4893 . . . . . . . . . . . 4649 1 267 . 1 1 33 33 GLY N N 15 108.1064 . . . . . . . . . . . 4649 1 268 . 1 1 34 34 SER CA C 13 58.2946 . . . . . . . . . . . 4649 1 269 . 1 1 34 34 SER CB C 13 62.8331 . . . . . . . . . . . 4649 1 270 . 1 1 34 34 SER HA H 1 4.6320 . . . . . . . . . . . 4649 1 271 . 1 1 34 34 SER HB2 H 1 4.3780 . . . . . . . . . . . 4649 1 272 . 1 1 34 34 SER HB3 H 1 4.0150 . . . . . . . . . . . 4649 1 273 . 1 1 34 34 SER H H 1 8.0328 . . . . . . . . . . . 4649 1 274 . 1 1 34 34 SER N N 15 117.6110 . . . . . . . . . . . 4649 1 275 . 1 1 35 35 PRO C C 13 180.4808 . . . . . . . . . . . 4649 1 276 . 1 1 35 35 PRO CA C 13 67.0040 . . . . . . . . . . . 4649 1 277 . 1 1 35 35 PRO CB C 13 32.0510 . . . . . . . . . . . 4649 1 278 . 1 1 35 35 PRO HA H 1 4.2540 . . . . . . . . . . . 4649 1 279 . 1 1 35 35 PRO HB2 H 1 2.4230 . . . . . . . . . . . 4649 1 280 . 1 1 35 35 PRO HB3 H 1 1.9820 . . . . . . . . . . . 4649 1 281 . 1 1 36 36 GLN C C 13 179.3376 . . . . . . . . . . . 4649 1 282 . 1 1 36 36 GLN CA C 13 59.3352 . . . . . . . . . . . 4649 1 283 . 1 1 36 36 GLN CB C 13 28.3020 . . . . . . . . . . . 4649 1 284 . 1 1 36 36 GLN CG C 13 33.9100 . . . . . . . . . . . 4649 1 285 . 1 1 36 36 GLN HA H 1 4.0830 . . . . . . . . . . . 4649 1 286 . 1 1 36 36 GLN HB2 H 1 2.1420 . . . . . . . . . . . 4649 1 287 . 1 1 36 36 GLN HB3 H 1 1.9220 . . . . . . . . . . . 4649 1 288 . 1 1 36 36 GLN HG2 H 1 2.4440 . . . . . . . . . . . 4649 1 289 . 1 1 36 36 GLN H H 1 8.9699 . . . . . . . . . . . 4649 1 290 . 1 1 36 36 GLN N N 15 117.0986 . . . . . . . . . . . 4649 1 291 . 1 1 37 37 PHE C C 13 177.6493 . . . . . . . . . . . 4649 1 292 . 1 1 37 37 PHE CA C 13 61.3466 . . . . . . . . . . . 4649 1 293 . 1 1 37 37 PHE CB C 13 40.7954 . . . . . . . . . . . 4649 1 294 . 1 1 37 37 PHE HA H 1 3.8550 . . . . . . . . . . . 4649 1 295 . 1 1 37 37 PHE HB2 H 1 3.2610 . . . . . . . . . . . 4649 1 296 . 1 1 37 37 PHE HB3 H 1 2.6620 . . . . . . . . . . . 4649 1 297 . 1 1 37 37 PHE H H 1 7.2489 . . . . . . . . . . . 4649 1 298 . 1 1 37 37 PHE N N 15 121.0010 . . . . . . . . . . . 4649 1 299 . 1 1 38 38 MET C C 13 179.8016 . . . . . . . . . . . 4649 1 300 . 1 1 38 38 MET CA C 13 55.5418 . . . . . . . . . . . 4649 1 301 . 1 1 38 38 MET CB C 13 28.8948 . . . . . . . . . . . 4649 1 302 . 1 1 38 38 MET CG C 13 30.9620 . . . . . . . . . . . 4649 1 303 . 1 1 38 38 MET HA H 1 4.3470 . . . . . . . . . . . 4649 1 304 . 1 1 38 38 MET HB2 H 1 2.1540 . . . . . . . . . . . 4649 1 305 . 1 1 38 38 MET HB3 H 1 1.9300 . . . . . . . . . . . 4649 1 306 . 1 1 38 38 MET HG3 H 1 2.7400 . . . . . . . . . . . 4649 1 307 . 1 1 38 38 MET HG2 H 1 2.5400 . . . . . . . . . . . 4649 1 308 . 1 1 38 38 MET H H 1 8.8377 . . . . . . . . . . . 4649 1 309 . 1 1 38 38 MET N N 15 114.7317 . . . . . . . . . . . 4649 1 310 . 1 1 39 39 GLN C C 13 179.4163 . . . . . . . . . . . 4649 1 311 . 1 1 39 39 GLN CA C 13 59.3995 . . . . . . . . . . . 4649 1 312 . 1 1 39 39 GLN CB C 13 28.7163 . . . . . . . . . . . 4649 1 313 . 1 1 39 39 GLN CG C 13 33.6620 . . . . . . . . . . . 4649 1 314 . 1 1 39 39 GLN HA H 1 4.0680 . . . . . . . . . . . 4649 1 315 . 1 1 39 39 GLN HB2 H 1 2.1600 . . . . . . . . . . . 4649 1 316 . 1 1 39 39 GLN HG2 H 1 2.4180 . . . . . . . . . . . 4649 1 317 . 1 1 39 39 GLN H H 1 8.3448 . . . . . . . . . . . 4649 1 318 . 1 1 39 39 GLN N N 15 119.7972 . . . . . . . . . . . 4649 1 319 . 1 1 40 40 THR C C 13 178.1059 . . . . . . . . . . . 4649 1 320 . 1 1 40 40 THR CA C 13 67.0088 . . . . . . . . . . . 4649 1 321 . 1 1 40 40 THR CB C 13 68.5995 . . . . . . . . . . . 4649 1 322 . 1 1 40 40 THR CG2 C 13 23.2900 . . . . . . . . . . . 4649 1 323 . 1 1 40 40 THR HA H 1 3.9170 . . . . . . . . . . . 4649 1 324 . 1 1 40 40 THR HB H 1 3.9040 . . . . . . . . . . . 4649 1 325 . 1 1 40 40 THR HG21 H 1 1.1010 . . . . . . . . . . . 4649 1 326 . 1 1 40 40 THR HG22 H 1 1.1010 . . . . . . . . . . . 4649 1 327 . 1 1 40 40 THR HG23 H 1 1.1010 . . . . . . . . . . . 4649 1 328 . 1 1 40 40 THR H H 1 7.4227 . . . . . . . . . . . 4649 1 329 . 1 1 40 40 THR N N 15 115.5880 . . . . . . . . . . . 4649 1 330 . 1 1 41 41 ILE C C 13 178.7123 . . . . . . . . . . . 4649 1 331 . 1 1 41 41 ILE CA C 13 63.6525 . . . . . . . . . . . 4649 1 332 . 1 1 41 41 ILE CB C 13 36.8268 . . . . . . . . . . . 4649 1 333 . 1 1 41 41 ILE CG1 C 13 28.0680 . . . . . . . . . . . 4649 1 334 . 1 1 41 41 ILE CG2 C 13 18.9580 . . . . . . . . . . . 4649 1 335 . 1 1 41 41 ILE HA H 1 3.9030 . . . . . . . . . . . 4649 1 336 . 1 1 41 41 ILE HB H 1 1.6540 . . . . . . . . . . . 4649 1 337 . 1 1 41 41 ILE HG12 H 1 1.1780 . . . . . . . . . . . 4649 1 338 . 1 1 41 41 ILE HG13 H 1 0.9180 . . . . . . . . . . . 4649 1 339 . 1 1 41 41 ILE H H 1 8.2704 . . . . . . . . . . . 4649 1 340 . 1 1 41 41 ILE N N 15 120.0761 . . . . . . . . . . . 4649 1 341 . 1 1 42 42 ARG C C 13 180.6559 . . . . . . . . . . . 4649 1 342 . 1 1 42 42 ARG CA C 13 61.2033 . . . . . . . . . . . 4649 1 343 . 1 1 42 42 ARG CB C 13 30.4035 . . . . . . . . . . . 4649 1 344 . 1 1 42 42 ARG CD C 13 42.9130 . . . . . . . . . . . 4649 1 345 . 1 1 42 42 ARG HA H 1 4.0405 . . . . . . . . . . . 4649 1 346 . 1 1 42 42 ARG HB2 H 1 1.9190 . . . . . . . . . . . 4649 1 347 . 1 1 42 42 ARG H H 1 8.8613 . . . . . . . . . . . 4649 1 348 . 1 1 42 42 ARG N N 15 122.5233 . . . . . . . . . . . 4649 1 349 . 1 1 43 43 LEU C C 13 179.9972 . . . . . . . . . . . 4649 1 350 . 1 1 43 43 LEU CA C 13 58.2317 . . . . . . . . . . . 4649 1 351 . 1 1 43 43 LEU CB C 13 41.3887 . . . . . . . . . . . 4649 1 352 . 1 1 43 43 LEU CG C 13 27.4060 . . . . . . . . . . . 4649 1 353 . 1 1 43 43 LEU HA H 1 4.1800 . . . . . . . . . . . 4649 1 354 . 1 1 43 43 LEU HB2 H 1 1.7920 . . . . . . . . . . . 4649 1 355 . 1 1 43 43 LEU HG H 1 1.7490 . . . . . . . . . . . 4649 1 356 . 1 1 43 43 LEU H H 1 7.4963 . . . . . . . . . . . 4649 1 357 . 1 1 43 43 LEU N N 15 120.4523 . . . . . . . . . . . 4649 1 358 . 1 1 44 44 ALA C C 13 181.1908 . . . . . . . . . . . 4649 1 359 . 1 1 44 44 ALA CA C 13 55.4035 . . . . . . . . . . . 4649 1 360 . 1 1 44 44 ALA CB C 13 17.4840 . . . . . . . . . . . 4649 1 361 . 1 1 44 44 ALA HA H 1 4.5210 . . . . . . . . . . . 4649 1 362 . 1 1 44 44 ALA HB1 H 1 1.6430 . . . . . . . . . . . 4649 1 363 . 1 1 44 44 ALA HB2 H 1 1.6430 . . . . . . . . . . . 4649 1 364 . 1 1 44 44 ALA HB3 H 1 1.6430 . . . . . . . . . . . 4649 1 365 . 1 1 44 44 ALA H H 1 7.9719 . . . . . . . . . . . 4649 1 366 . 1 1 44 44 ALA N N 15 122.4290 . . . . . . . . . . . 4649 1 367 . 1 1 45 45 VAL C C 13 179.5679 . . . . . . . . . . . 4649 1 368 . 1 1 45 45 VAL CA C 13 66.7660 . . . . . . . . . . . 4649 1 369 . 1 1 45 45 VAL CB C 13 31.5962 . . . . . . . . . . . 4649 1 370 . 1 1 45 45 VAL CG1 C 13 24.6900 . . . . . . . . . . . 4649 1 371 . 1 1 45 45 VAL CG2 C 13 22.3530 . . . . . . . . . . . 4649 1 372 . 1 1 45 45 VAL HA H 1 3.4710 . . . . . . . . . . . 4649 1 373 . 1 1 45 45 VAL HB H 1 2.4250 . . . . . . . . . . . 4649 1 374 . 1 1 45 45 VAL HG11 H 1 1.1220 . . . . . . . . . . . 4649 1 375 . 1 1 45 45 VAL HG12 H 1 1.1220 . . . . . . . . . . . 4649 1 376 . 1 1 45 45 VAL HG13 H 1 1.1220 . . . . . . . . . . . 4649 1 377 . 1 1 45 45 VAL HG21 H 1 0.9230 . . . . . . . . . . . 4649 1 378 . 1 1 45 45 VAL HG22 H 1 0.9230 . . . . . . . . . . . 4649 1 379 . 1 1 45 45 VAL HG23 H 1 0.9230 . . . . . . . . . . . 4649 1 380 . 1 1 45 45 VAL H H 1 8.5459 . . . . . . . . . . . 4649 1 381 . 1 1 45 45 VAL N N 15 118.5900 . . . . . . . . . . . 4649 1 382 . 1 1 46 46 GLN C C 13 178.9701 . . . . . . . . . . . 4649 1 383 . 1 1 46 46 GLN CA C 13 59.1866 . . . . . . . . . . . 4649 1 384 . 1 1 46 46 GLN CB C 13 29.0584 . . . . . . . . . . . 4649 1 385 . 1 1 46 46 GLN CG C 13 34.0390 . . . . . . . . . . . 4649 1 386 . 1 1 46 46 GLN HA H 1 4.0520 . . . . . . . . . . . 4649 1 387 . 1 1 46 46 GLN HB2 H 1 2.2400 . . . . . . . . . . . 4649 1 388 . 1 1 46 46 GLN HG2 H 1 2.4560 . . . . . . . . . . . 4649 1 389 . 1 1 46 46 GLN H H 1 7.9546 . . . . . . . . . . . 4649 1 390 . 1 1 46 46 GLN N N 15 120.4880 . . . . . . . . . . . 4649 1 391 . 1 1 47 47 GLN C C 13 178.9635 . . . . . . . . . . . 4649 1 392 . 1 1 47 47 GLN CA C 13 58.8077 . . . . . . . . . . . 4649 1 393 . 1 1 47 47 GLN CB C 13 29.3151 . . . . . . . . . . . 4649 1 394 . 1 1 47 47 GLN CG C 13 33.1520 . . . . . . . . . . . 4649 1 395 . 1 1 47 47 GLN HA H 1 3.8880 . . . . . . . . . . . 4649 1 396 . 1 1 47 47 GLN HB2 H 1 1.9700 . . . . . . . . . . . 4649 1 397 . 1 1 47 47 GLN HB3 H 1 1.5340 . . . . . . . . . . . 4649 1 398 . 1 1 47 47 GLN HG3 H 1 1.9890 . . . . . . . . . . . 4649 1 399 . 1 1 47 47 GLN HG2 H 1 1.5700 . . . . . . . . . . . 4649 1 400 . 1 1 47 47 GLN H H 1 8.4949 . . . . . . . . . . . 4649 1 401 . 1 1 47 47 GLN N N 15 117.4019 . . . . . . . . . . . 4649 1 402 . 1 1 48 48 PHE C C 13 174.7606 . . . . . . . . . . . 4649 1 403 . 1 1 48 48 PHE CA C 13 59.3127 . . . . . . . . . . . 4649 1 404 . 1 1 48 48 PHE CB C 13 40.6550 . . . . . . . . . . . 4649 1 405 . 1 1 48 48 PHE HA H 1 4.5310 . . . . . . . . . . . 4649 1 406 . 1 1 48 48 PHE HB2 H 1 2.7980 . . . . . . . . . . . 4649 1 407 . 1 1 48 48 PHE HB3 H 1 2.7030 . . . . . . . . . . . 4649 1 408 . 1 1 48 48 PHE H H 1 8.2950 . . . . . . . . . . . 4649 1 409 . 1 1 48 48 PHE N N 15 113.2502 . . . . . . . . . . . 4649 1 410 . 1 1 49 49 ASP CA C 13 54.4236 . . . . . . . . . . . 4649 1 411 . 1 1 49 49 ASP CB C 13 40.4950 . . . . . . . . . . . 4649 1 412 . 1 1 49 49 ASP HA H 1 4.5610 . . . . . . . . . . . 4649 1 413 . 1 1 49 49 ASP HB2 H 1 2.6560 . . . . . . . . . . . 4649 1 414 . 1 1 49 49 ASP H H 1 7.7535 . . . . . . . . . . . 4649 1 415 . 1 1 49 49 ASP N N 15 117.0679 . . . . . . . . . . . 4649 1 416 . 1 1 50 50 PRO C C 13 178.9540 . . . . . . . . . . . 4649 1 417 . 1 1 50 50 PRO CA C 13 62.2340 . . . . . . . . . . . 4649 1 418 . 1 1 50 50 PRO CB C 13 34.3510 . . . . . . . . . . . 4649 1 419 . 1 1 50 50 PRO HA H 1 4.4410 . . . . . . . . . . . 4649 1 420 . 1 1 51 51 THR C C 13 175.3414 . . . . . . . . . . . 4649 1 421 . 1 1 51 51 THR CA C 13 60.6601 . . . . . . . . . . . 4649 1 422 . 1 1 51 51 THR CB C 13 70.6740 . . . . . . . . . . . 4649 1 423 . 1 1 51 51 THR CG2 C 13 22.4920 . . . . . . . . . . . 4649 1 424 . 1 1 51 51 THR HA H 1 3.9730 . . . . . . . . . . . 4649 1 425 . 1 1 51 51 THR HB H 1 5.1230 . . . . . . . . . . . 4649 1 426 . 1 1 51 51 THR HG21 H 1 1.0570 . . . . . . . . . . . 4649 1 427 . 1 1 51 51 THR HG22 H 1 1.0570 . . . . . . . . . . . 4649 1 428 . 1 1 51 51 THR HG23 H 1 1.0570 . . . . . . . . . . . 4649 1 429 . 1 1 51 51 THR H H 1 8.5725 . . . . . . . . . . . 4649 1 430 . 1 1 51 51 THR N N 15 108.9093 . . . . . . . . . . . 4649 1 431 . 1 1 52 52 ALA C C 13 181.9256 . . . . . . . . . . . 4649 1 432 . 1 1 52 52 ALA CA C 13 56.5917 . . . . . . . . . . . 4649 1 433 . 1 1 52 52 ALA CB C 13 17.5305 . . . . . . . . . . . 4649 1 434 . 1 1 52 52 ALA HA H 1 3.7920 . . . . . . . . . . . 4649 1 435 . 1 1 52 52 ALA HB1 H 1 0.5920 . . . . . . . . . . . 4649 1 436 . 1 1 52 52 ALA HB2 H 1 0.5920 . . . . . . . . . . . 4649 1 437 . 1 1 52 52 ALA HB3 H 1 0.5920 . . . . . . . . . . . 4649 1 438 . 1 1 52 52 ALA H H 1 6.3968 . . . . . . . . . . . 4649 1 439 . 1 1 52 52 ALA N N 15 120.4596 . . . . . . . . . . . 4649 1 440 . 1 1 53 53 LYS C C 13 179.5275 . . . . . . . . . . . 4649 1 441 . 1 1 53 53 LYS CA C 13 59.3119 . . . . . . . . . . . 4649 1 442 . 1 1 53 53 LYS CB C 13 32.0023 . . . . . . . . . . . 4649 1 443 . 1 1 53 53 LYS HA H 1 4.0270 . . . . . . . . . . . 4649 1 444 . 1 1 53 53 LYS HB2 H 1 1.7860 . . . . . . . . . . . 4649 1 445 . 1 1 53 53 LYS HB3 H 1 1.5500 . . . . . . . . . . . 4649 1 446 . 1 1 53 53 LYS H H 1 9.2743 . . . . . . . . . . . 4649 1 447 . 1 1 53 53 LYS N N 15 123.9884 . . . . . . . . . . . 4649 1 448 . 1 1 54 54 ASP C C 13 181.9015 . . . . . . . . . . . 4649 1 449 . 1 1 54 54 ASP CA C 13 57.1335 . . . . . . . . . . . 4649 1 450 . 1 1 54 54 ASP CB C 13 41.2737 . . . . . . . . . . . 4649 1 451 . 1 1 54 54 ASP HA H 1 4.3200 . . . . . . . . . . . 4649 1 452 . 1 1 54 54 ASP HB2 H 1 3.2460 . . . . . . . . . . . 4649 1 453 . 1 1 54 54 ASP HB3 H 1 2.3350 . . . . . . . . . . . 4649 1 454 . 1 1 54 54 ASP H H 1 7.6751 . . . . . . . . . . . 4649 1 455 . 1 1 54 54 ASP N N 15 118.5228 . . . . . . . . . . . 4649 1 456 . 1 1 55 55 LEU C C 13 178.7675 . . . . . . . . . . . 4649 1 457 . 1 1 55 55 LEU CA C 13 57.6843 . . . . . . . . . . . 4649 1 458 . 1 1 55 55 LEU CB C 13 39.5985 . . . . . . . . . . . 4649 1 459 . 1 1 55 55 LEU CG C 13 26.2810 . . . . . . . . . . . 4649 1 460 . 1 1 55 55 LEU HA H 1 3.9975 . . . . . . . . . . . 4649 1 461 . 1 1 55 55 LEU HB2 H 1 1.6840 . . . . . . . . . . . 4649 1 462 . 1 1 55 55 LEU H H 1 8.4075 . . . . . . . . . . . 4649 1 463 . 1 1 55 55 LEU N N 15 122.4318 . . . . . . . . . . . 4649 1 464 . 1 1 56 56 GLN C C 13 179.1133 . . . . . . . . . . . 4649 1 465 . 1 1 56 56 GLN CA C 13 58.4244 . . . . . . . . . . . 4649 1 466 . 1 1 56 56 GLN CB C 13 27.5353 . . . . . . . . . . . 4649 1 467 . 1 1 56 56 GLN CG C 13 32.7630 . . . . . . . . . . . 4649 1 468 . 1 1 56 56 GLN HA H 1 4.5580 . . . . . . . . . . . 4649 1 469 . 1 1 56 56 GLN HB2 H 1 2.3030 . . . . . . . . . . . 4649 1 470 . 1 1 56 56 GLN HG3 H 1 2.6150 . . . . . . . . . . . 4649 1 471 . 1 1 56 56 GLN H H 1 7.8495 . . . . . . . . . . . 4649 1 472 . 1 1 56 56 GLN N N 15 123.2339 . . . . . . . . . . . 4649 1 473 . 1 1 57 57 ASP C C 13 180.2327 . . . . . . . . . . . 4649 1 474 . 1 1 57 57 ASP CA C 13 57.6260 . . . . . . . . . . . 4649 1 475 . 1 1 57 57 ASP CB C 13 40.7760 . . . . . . . . . . . 4649 1 476 . 1 1 57 57 ASP HA H 1 4.4030 . . . . . . . . . . . 4649 1 477 . 1 1 57 57 ASP HB2 H 1 3.0380 . . . . . . . . . . . 4649 1 478 . 1 1 57 57 ASP HB3 H 1 2.6970 . . . . . . . . . . . 4649 1 479 . 1 1 57 57 ASP H H 1 8.4262 . . . . . . . . . . . 4649 1 480 . 1 1 57 57 ASP N N 15 120.3385 . . . . . . . . . . . 4649 1 481 . 1 1 58 58 LEU C C 13 178.3875 . . . . . . . . . . . 4649 1 482 . 1 1 58 58 LEU CA C 13 58.0108 . . . . . . . . . . . 4649 1 483 . 1 1 58 58 LEU CB C 13 42.4620 . . . . . . . . . . . 4649 1 484 . 1 1 58 58 LEU CG C 13 25.1510 . . . . . . . . . . . 4649 1 485 . 1 1 58 58 LEU HA H 1 3.7420 . . . . . . . . . . . 4649 1 486 . 1 1 58 58 LEU HB2 H 1 2.1440 . . . . . . . . . . . 4649 1 487 . 1 1 58 58 LEU HB3 H 1 1.2880 . . . . . . . . . . . 4649 1 488 . 1 1 58 58 LEU H H 1 8.1684 . . . . . . . . . . . 4649 1 489 . 1 1 58 58 LEU N N 15 120.7390 . . . . . . . . . . . 4649 1 490 . 1 1 59 59 LEU C C 13 179.0897 . . . . . . . . . . . 4649 1 491 . 1 1 59 59 LEU CA C 13 59.1493 . . . . . . . . . . . 4649 1 492 . 1 1 59 59 LEU CB C 13 43.4362 . . . . . . . . . . . 4649 1 493 . 1 1 59 59 LEU CG C 13 27.5910 . . . . . . . . . . . 4649 1 494 . 1 1 59 59 LEU HA H 1 4.0900 . . . . . . . . . . . 4649 1 495 . 1 1 59 59 LEU HB2 H 1 2.3790 . . . . . . . . . . . 4649 1 496 . 1 1 59 59 LEU HB3 H 1 2.0070 . . . . . . . . . . . 4649 1 497 . 1 1 59 59 LEU HG H 1 1.4800 . . . . . . . . . . . 4649 1 498 . 1 1 59 59 LEU H H 1 8.6676 . . . . . . . . . . . 4649 1 499 . 1 1 59 59 LEU N N 15 120.3983 . . . . . . . . . . . 4649 1 500 . 1 1 60 60 GLN C C 13 177.8116 . . . . . . . . . . . 4649 1 501 . 1 1 60 60 GLN CA C 13 57.8793 . . . . . . . . . . . 4649 1 502 . 1 1 60 60 GLN CB C 13 28.9714 . . . . . . . . . . . 4649 1 503 . 1 1 60 60 GLN CG C 13 34.9120 . . . . . . . . . . . 4649 1 504 . 1 1 60 60 GLN HA H 1 4.1235 . . . . . . . . . . . 4649 1 505 . 1 1 60 60 GLN HB2 H 1 2.1780 . . . . . . . . . . . 4649 1 506 . 1 1 60 60 GLN HG3 H 1 2.5960 . . . . . . . . . . . 4649 1 507 . 1 1 60 60 GLN HG2 H 1 2.4880 . . . . . . . . . . . 4649 1 508 . 1 1 60 60 GLN H H 1 8.2076 . . . . . . . . . . . 4649 1 509 . 1 1 60 60 GLN N N 15 113.7946 . . . . . . . . . . . 4649 1 510 . 1 1 61 61 TYR C C 13 178.0639 . . . . . . . . . . . 4649 1 511 . 1 1 61 61 TYR CA C 13 60.8464 . . . . . . . . . . . 4649 1 512 . 1 1 61 61 TYR CB C 13 40.0441 . . . . . . . . . . . 4649 1 513 . 1 1 61 61 TYR HA H 1 4.1730 . . . . . . . . . . . 4649 1 514 . 1 1 61 61 TYR HB2 H 1 3.1195 . . . . . . . . . . . 4649 1 515 . 1 1 61 61 TYR HB3 H 1 2.8200 . . . . . . . . . . . 4649 1 516 . 1 1 61 61 TYR H H 1 7.7332 . . . . . . . . . . . 4649 1 517 . 1 1 61 61 TYR N N 15 118.6560 . . . . . . . . . . . 4649 1 518 . 1 1 62 62 LEU C C 13 179.4030 . . . . . . . . . . . 4649 1 519 . 1 1 62 62 LEU CA C 13 56.7010 . . . . . . . . . . . 4649 1 520 . 1 1 62 62 LEU CB C 13 46.3005 . . . . . . . . . . . 4649 1 521 . 1 1 62 62 LEU CD1 C 13 22.6170 . . . . . . . . . . . 4649 1 522 . 1 1 62 62 LEU CG C 13 26.1290 . . . . . . . . . . . 4649 1 523 . 1 1 62 62 LEU HA H 1 4.1560 . . . . . . . . . . . 4649 1 524 . 1 1 62 62 LEU HB2 H 1 2.1130 . . . . . . . . . . . 4649 1 525 . 1 1 62 62 LEU HB3 H 1 1.7340 . . . . . . . . . . . 4649 1 526 . 1 1 62 62 LEU H H 1 7.9993 . . . . . . . . . . . 4649 1 527 . 1 1 62 62 LEU N N 15 114.2340 . . . . . . . . . . . 4649 1 528 . 1 1 63 63 CYS C C 13 174.5241 . . . . . . . . . . . 4649 1 529 . 1 1 63 63 CYS CA C 13 58.3529 . . . . . . . . . . . 4649 1 530 . 1 1 63 63 CYS CB C 13 32.1713 . . . . . . . . . . . 4649 1 531 . 1 1 63 63 CYS HA H 1 4.8300 . . . . . . . . . . . 4649 1 532 . 1 1 63 63 CYS HB2 H 1 3.0880 . . . . . . . . . . . 4649 1 533 . 1 1 63 63 CYS HB3 H 1 2.8070 . . . . . . . . . . . 4649 1 534 . 1 1 63 63 CYS H H 1 8.1330 . . . . . . . . . . . 4649 1 535 . 1 1 63 63 CYS N N 15 115.1266 . . . . . . . . . . . 4649 1 536 . 1 1 64 64 SER C C 13 175.4139 . . . . . . . . . . . 4649 1 537 . 1 1 64 64 SER CA C 13 57.4469 . . . . . . . . . . . 4649 1 538 . 1 1 64 64 SER CB C 13 65.0040 . . . . . . . . . . . 4649 1 539 . 1 1 64 64 SER HA H 1 4.4110 . . . . . . . . . . . 4649 1 540 . 1 1 64 64 SER HB2 H 1 4.4340 . . . . . . . . . . . 4649 1 541 . 1 1 64 64 SER HB3 H 1 4.0980 . . . . . . . . . . . 4649 1 542 . 1 1 64 64 SER H H 1 8.9055 . . . . . . . . . . . 4649 1 543 . 1 1 64 64 SER N N 15 118.0173 . . . . . . . . . . . 4649 1 544 . 1 1 65 65 SER C C 13 178.2892 . . . . . . . . . . . 4649 1 545 . 1 1 65 65 SER CA C 13 57.3468 . . . . . . . . . . . 4649 1 546 . 1 1 65 65 SER CB C 13 61.9600 . . . . . . . . . . . 4649 1 547 . 1 1 65 65 SER HA H 1 4.1730 . . . . . . . . . . . 4649 1 548 . 1 1 65 65 SER HB2 H 1 3.9620 . . . . . . . . . . . 4649 1 549 . 1 1 65 65 SER H H 1 8.9859 . . . . . . . . . . . 4649 1 550 . 1 1 65 65 SER N N 15 116.6826 . . . . . . . . . . . 4649 1 551 . 1 1 66 66 LEU C C 13 179.9858 . . . . . . . . . . . 4649 1 552 . 1 1 66 66 LEU CA C 13 58.4200 . . . . . . . . . . . 4649 1 553 . 1 1 66 66 LEU CB C 13 42.2524 . . . . . . . . . . . 4649 1 554 . 1 1 66 66 LEU CG C 13 27.1900 . . . . . . . . . . . 4649 1 555 . 1 1 66 66 LEU HA H 1 4.1850 . . . . . . . . . . . 4649 1 556 . 1 1 66 66 LEU CD2 C 13 24.4690 . . . . . . . . . . . 4649 1 557 . 1 1 66 66 LEU HB2 H 1 1.6640 . . . . . . . . . . . 4649 1 558 . 1 1 66 66 LEU H H 1 8.0662 . . . . . . . . . . . 4649 1 559 . 1 1 66 66 LEU N N 15 123.1827 . . . . . . . . . . . 4649 1 560 . 1 1 67 67 VAL C C 13 178.6097 . . . . . . . . . . . 4649 1 561 . 1 1 67 67 VAL CA C 13 67.0740 . . . . . . . . . . . 4649 1 562 . 1 1 67 67 VAL CB C 13 31.9108 . . . . . . . . . . . 4649 1 563 . 1 1 67 67 VAL CG1 C 13 21.6440 . . . . . . . . . . . 4649 1 564 . 1 1 67 67 VAL HA H 1 3.4430 . . . . . . . . . . . 4649 1 565 . 1 1 67 67 VAL HB H 1 2.1300 . . . . . . . . . . . 4649 1 566 . 1 1 67 67 VAL H H 1 7.5106 . . . . . . . . . . . 4649 1 567 . 1 1 67 67 VAL N N 15 120.6269 . . . . . . . . . . . 4649 1 568 . 1 1 68 68 ALA C C 13 180.8375 . . . . . . . . . . . 4649 1 569 . 1 1 68 68 ALA CA C 13 55.7827 . . . . . . . . . . . 4649 1 570 . 1 1 68 68 ALA CB C 13 17.6330 . . . . . . . . . . . 4649 1 571 . 1 1 68 68 ALA HA H 1 3.9400 . . . . . . . . . . . 4649 1 572 . 1 1 68 68 ALA HB1 H 1 1.3933 . . . . . . . . . . . 4649 1 573 . 1 1 68 68 ALA HB2 H 1 1.3933 . . . . . . . . . . . 4649 1 574 . 1 1 68 68 ALA HB3 H 1 1.3933 . . . . . . . . . . . 4649 1 575 . 1 1 68 68 ALA H H 1 8.7694 . . . . . . . . . . . 4649 1 576 . 1 1 68 68 ALA N N 15 120.9630 . . . . . . . . . . . 4649 1 577 . 1 1 69 69 SER C C 13 178.1189 . . . . . . . . . . . 4649 1 578 . 1 1 69 69 SER CA C 13 61.8209 . . . . . . . . . . . 4649 1 579 . 1 1 69 69 SER CB C 13 62.9076 . . . . . . . . . . . 4649 1 580 . 1 1 69 69 SER HA H 1 4.3060 . . . . . . . . . . . 4649 1 581 . 1 1 69 69 SER HB2 H 1 4.0640 . . . . . . . . . . . 4649 1 582 . 1 1 69 69 SER H H 1 8.0609 . . . . . . . . . . . 4649 1 583 . 1 1 69 69 SER N N 15 114.4441 . . . . . . . . . . . 4649 1 584 . 1 1 70 70 LEU C C 13 180.8071 . . . . . . . . . . . 4649 1 585 . 1 1 70 70 LEU CA C 13 58.0269 . . . . . . . . . . . 4649 1 586 . 1 1 70 70 LEU CB C 13 42.3157 . . . . . . . . . . . 4649 1 587 . 1 1 70 70 LEU HA H 1 4.1000 . . . . . . . . . . . 4649 1 588 . 1 1 70 70 LEU HB2 H 1 1.8940 . . . . . . . . . . . 4649 1 589 . 1 1 70 70 LEU HB3 H 1 1.4070 . . . . . . . . . . . 4649 1 590 . 1 1 70 70 LEU H H 1 7.9809 . . . . . . . . . . . 4649 1 591 . 1 1 70 70 LEU N N 15 124.0115 . . . . . . . . . . . 4649 1 592 . 1 1 71 71 HIS C C 13 177.5258 . . . . . . . . . . . 4649 1 593 . 1 1 71 71 HIS CA C 13 62.2070 . . . . . . . . . . . 4649 1 594 . 1 1 71 71 HIS CB C 13 31.4412 . . . . . . . . . . . 4649 1 595 . 1 1 71 71 HIS HA H 1 3.4310 . . . . . . . . . . . 4649 1 596 . 1 1 71 71 HIS HB2 H 1 3.0070 . . . . . . . . . . . 4649 1 597 . 1 1 71 71 HIS HB3 H 1 2.3930 . . . . . . . . . . . 4649 1 598 . 1 1 71 71 HIS H H 1 8.7891 . . . . . . . . . . . 4649 1 599 . 1 1 71 71 HIS N N 15 121.3533 . . . . . . . . . . . 4649 1 600 . 1 1 72 72 HIS C C 13 177.9632 . . . . . . . . . . . 4649 1 601 . 1 1 72 72 HIS CA C 13 59.4051 . . . . . . . . . . . 4649 1 602 . 1 1 72 72 HIS CB C 13 29.2833 . . . . . . . . . . . 4649 1 603 . 1 1 72 72 HIS HA H 1 4.2300 . . . . . . . . . . . 4649 1 604 . 1 1 72 72 HIS HB2 H 1 3.5470 . . . . . . . . . . . 4649 1 605 . 1 1 72 72 HIS HB3 H 1 3.4290 . . . . . . . . . . . 4649 1 606 . 1 1 72 72 HIS H H 1 8.3514 . . . . . . . . . . . 4649 1 607 . 1 1 72 72 HIS N N 15 116.9468 . . . . . . . . . . . 4649 1 608 . 1 1 73 73 GLN C C 13 179.8217 . . . . . . . . . . . 4649 1 609 . 1 1 73 73 GLN CA C 13 59.0706 . . . . . . . . . . . 4649 1 610 . 1 1 73 73 GLN CB C 13 29.1426 . . . . . . . . . . . 4649 1 611 . 1 1 73 73 GLN CG C 13 34.0580 . . . . . . . . . . . 4649 1 612 . 1 1 73 73 GLN HA H 1 4.0310 . . . . . . . . . . . 4649 1 613 . 1 1 73 73 GLN HB2 H 1 2.1690 . . . . . . . . . . . 4649 1 614 . 1 1 73 73 GLN HG3 H 1 2.4230 . . . . . . . . . . . 4649 1 615 . 1 1 73 73 GLN HG2 H 1 2.4130 . . . . . . . . . . . 4649 1 616 . 1 1 73 73 GLN H H 1 7.7174 . . . . . . . . . . . 4649 1 617 . 1 1 73 73 GLN N N 15 117.0430 . . . . . . . . . . . 4649 1 618 . 1 1 74 74 GLN C C 13 179.1198 . . . . . . . . . . . 4649 1 619 . 1 1 74 74 GLN CA C 13 57.7134 . . . . . . . . . . . 4649 1 620 . 1 1 74 74 GLN CB C 13 27.6902 . . . . . . . . . . . 4649 1 621 . 1 1 74 74 GLN CG C 13 33.0510 . . . . . . . . . . . 4649 1 622 . 1 1 74 74 GLN HA H 1 4.1230 . . . . . . . . . . . 4649 1 623 . 1 1 74 74 GLN HB2 H 1 1.9390 . . . . . . . . . . . 4649 1 624 . 1 1 74 74 GLN HB3 H 1 1.7550 . . . . . . . . . . . 4649 1 625 . 1 1 74 74 GLN HG3 H 1 2.6040 . . . . . . . . . . . 4649 1 626 . 1 1 74 74 GLN HG2 H 1 2.0300 . . . . . . . . . . . 4649 1 627 . 1 1 74 74 GLN H H 1 7.6739 . . . . . . . . . . . 4649 1 628 . 1 1 74 74 GLN N N 15 119.1363 . . . . . . . . . . . 4649 1 629 . 1 1 75 75 LEU C C 13 178.7862 . . . . . . . . . . . 4649 1 630 . 1 1 75 75 LEU CA C 13 57.9541 . . . . . . . . . . . 4649 1 631 . 1 1 75 75 LEU CB C 13 40.8093 . . . . . . . . . . . 4649 1 632 . 1 1 75 75 LEU CD2 C 13 23.0460 . . . . . . . . . . . 4649 1 633 . 1 1 75 75 LEU CG C 13 27.4020 . . . . . . . . . . . 4649 1 634 . 1 1 75 75 LEU HA H 1 3.7560 . . . . . . . . . . . 4649 1 635 . 1 1 75 75 LEU HB2 H 1 1.8290 . . . . . . . . . . . 4649 1 636 . 1 1 75 75 LEU HG H 1 1.0960 . . . . . . . . . . . 4649 1 637 . 1 1 75 75 LEU H H 1 9.0524 . . . . . . . . . . . 4649 1 638 . 1 1 75 75 LEU N N 15 122.2646 . . . . . . . . . . . 4649 1 639 . 1 1 76 76 ASP C C 13 180.7421 . . . . . . . . . . . 4649 1 640 . 1 1 76 76 ASP CA C 13 57.9977 . . . . . . . . . . . 4649 1 641 . 1 1 76 76 ASP CB C 13 39.9326 . . . . . . . . . . . 4649 1 642 . 1 1 76 76 ASP HA H 1 4.3530 . . . . . . . . . . . 4649 1 643 . 1 1 76 76 ASP HB2 H 1 2.5930 . . . . . . . . . . . 4649 1 644 . 1 1 76 76 ASP H H 1 8.2976 . . . . . . . . . . . 4649 1 645 . 1 1 76 76 ASP N N 15 119.0909 . . . . . . . . . . . 4649 1 646 . 1 1 77 77 SER C C 13 177.8040 . . . . . . . . . . . 4649 1 647 . 1 1 77 77 SER CA C 13 61.7647 . . . . . . . . . . . 4649 1 648 . 1 1 77 77 SER CB C 13 62.8084 . . . . . . . . . . . 4649 1 649 . 1 1 77 77 SER HA H 1 4.2666 . . . . . . . . . . . 4649 1 650 . 1 1 77 77 SER HB2 H 1 3.9615 . . . . . . . . . . . 4649 1 651 . 1 1 77 77 SER H H 1 7.3018 . . . . . . . . . . . 4649 1 652 . 1 1 77 77 SER N N 15 115.7275 . . . . . . . . . . . 4649 1 653 . 1 1 78 78 LEU C C 13 181.7371 . . . . . . . . . . . 4649 1 654 . 1 1 78 78 LEU CA C 13 58.0448 . . . . . . . . . . . 4649 1 655 . 1 1 78 78 LEU CB C 13 42.5490 . . . . . . . . . . . 4649 1 656 . 1 1 78 78 LEU CD1 C 13 68.4860 . . . . . . . . . . . 4649 1 657 . 1 1 78 78 LEU CD2 C 13 64.9220 . . . . . . . . . . . 4649 1 658 . 1 1 78 78 LEU CG C 13 69.3800 . . . . . . . . . . . 4649 1 659 . 1 1 78 78 LEU HA H 1 4.0530 . . . . . . . . . . . 4649 1 660 . 1 1 78 78 LEU HB2 H 1 1.9450 . . . . . . . . . . . 4649 1 661 . 1 1 78 78 LEU HB3 H 1 1.4050 . . . . . . . . . . . 4649 1 662 . 1 1 78 78 LEU HD11 H 1 0.7230 . . . . . . . . . . . 4649 1 663 . 1 1 78 78 LEU HD12 H 1 0.7230 . . . . . . . . . . . 4649 1 664 . 1 1 78 78 LEU HD13 H 1 0.7230 . . . . . . . . . . . 4649 1 665 . 1 1 78 78 LEU HD21 H 1 0.7890 . . . . . . . . . . . 4649 1 666 . 1 1 78 78 LEU HD22 H 1 0.7890 . . . . . . . . . . . 4649 1 667 . 1 1 78 78 LEU HD23 H 1 0.7890 . . . . . . . . . . . 4649 1 668 . 1 1 78 78 LEU HG H 1 1.7690 . . . . . . . . . . . 4649 1 669 . 1 1 78 78 LEU H H 1 8.2418 . . . . . . . . . . . 4649 1 670 . 1 1 78 78 LEU N N 15 122.9055 . . . . . . . . . . . 4649 1 671 . 1 1 79 79 ILE C C 13 178.2277 . . . . . . . . . . . 4649 1 672 . 1 1 79 79 ILE CA C 13 66.2270 . . . . . . . . . . . 4649 1 673 . 1 1 79 79 ILE CB C 13 38.2482 . . . . . . . . . . . 4649 1 674 . 1 1 79 79 ILE CD1 C 13 78.6400 . . . . . . . . . . . 4649 1 675 . 1 1 79 79 ILE CG1 C 13 30.8480 . . . . . . . . . . . 4649 1 676 . 1 1 79 79 ILE CG2 C 13 17.9370 . . . . . . . . . . . 4649 1 677 . 1 1 79 79 ILE HA H 1 3.5370 . . . . . . . . . . . 4649 1 678 . 1 1 79 79 ILE HB H 1 1.9270 . . . . . . . . . . . 4649 1 679 . 1 1 79 79 ILE HD11 H 1 0.9280 . . . . . . . . . . . 4649 1 680 . 1 1 79 79 ILE HD12 H 1 0.9280 . . . . . . . . . . . 4649 1 681 . 1 1 79 79 ILE HD13 H 1 0.9280 . . . . . . . . . . . 4649 1 682 . 1 1 79 79 ILE HG21 H 1 0.9090 . . . . . . . . . . . 4649 1 683 . 1 1 79 79 ILE HG22 H 1 0.9090 . . . . . . . . . . . 4649 1 684 . 1 1 79 79 ILE HG23 H 1 0.9090 . . . . . . . . . . . 4649 1 685 . 1 1 79 79 ILE HG12 H 1 1.8220 . . . . . . . . . . . 4649 1 686 . 1 1 79 79 ILE HG13 H 1 0.7760 . . . . . . . . . . . 4649 1 687 . 1 1 79 79 ILE H H 1 9.0240 . . . . . . . . . . . 4649 1 688 . 1 1 79 79 ILE N N 15 121.3876 . . . . . . . . . . . 4649 1 689 . 1 1 80 80 SER C C 13 178.6246 . . . . . . . . . . . 4649 1 690 . 1 1 80 80 SER CA C 13 61.8118 . . . . . . . . . . . 4649 1 691 . 1 1 80 80 SER CB C 13 62.8067 . . . . . . . . . . . 4649 1 692 . 1 1 80 80 SER HA H 1 4.3060 . . . . . . . . . . . 4649 1 693 . 1 1 80 80 SER HB2 H 1 4.0220 . . . . . . . . . . . 4649 1 694 . 1 1 80 80 SER H H 1 7.8886 . . . . . . . . . . . 4649 1 695 . 1 1 80 80 SER N N 15 114.8972 . . . . . . . . . . . 4649 1 696 . 1 1 81 81 GLU C C 13 179.5866 . . . . . . . . . . . 4649 1 697 . 1 1 81 81 GLU CA C 13 59.5918 . . . . . . . . . . . 4649 1 698 . 1 1 81 81 GLU CB C 13 29.9114 . . . . . . . . . . . 4649 1 699 . 1 1 81 81 GLU CG C 13 36.3590 . . . . . . . . . . . 4649 1 700 . 1 1 81 81 GLU HA H 1 4.0570 . . . . . . . . . . . 4649 1 701 . 1 1 81 81 GLU HB2 H 1 2.0640 . . . . . . . . . . . 4649 1 702 . 1 1 81 81 GLU HG3 H 1 2.3900 . . . . . . . . . . . 4649 1 703 . 1 1 81 81 GLU HG2 H 1 2.2140 . . . . . . . . . . . 4649 1 704 . 1 1 81 81 GLU H H 1 7.8761 . . . . . . . . . . . 4649 1 705 . 1 1 81 81 GLU N N 15 121.0106 . . . . . . . . . . . 4649 1 706 . 1 1 82 82 ALA C C 13 180.9209 . . . . . . . . . . . 4649 1 707 . 1 1 82 82 ALA CA C 13 55.4052 . . . . . . . . . . . 4649 1 708 . 1 1 82 82 ALA CB C 13 18.3490 . . . . . . . . . . . 4649 1 709 . 1 1 82 82 ALA HA H 1 4.0330 . . . . . . . . . . . 4649 1 710 . 1 1 82 82 ALA HB1 H 1 1.4410 . . . . . . . . . . . 4649 1 711 . 1 1 82 82 ALA HB2 H 1 1.4410 . . . . . . . . . . . 4649 1 712 . 1 1 82 82 ALA HB3 H 1 1.4410 . . . . . . . . . . . 4649 1 713 . 1 1 82 82 ALA H H 1 8.1893 . . . . . . . . . . . 4649 1 714 . 1 1 82 82 ALA N N 15 123.6429 . . . . . . . . . . . 4649 1 715 . 1 1 83 83 GLU C C 13 180.5561 . . . . . . . . . . . 4649 1 716 . 1 1 83 83 GLU CA C 13 59.7476 . . . . . . . . . . . 4649 1 717 . 1 1 83 83 GLU CB C 13 30.0158 . . . . . . . . . . . 4649 1 718 . 1 1 83 83 GLU CG C 13 37.6870 . . . . . . . . . . . 4649 1 719 . 1 1 83 83 GLU HA H 1 3.8850 . . . . . . . . . . . 4649 1 720 . 1 1 83 83 GLU HB2 H 1 2.3080 . . . . . . . . . . . 4649 1 721 . 1 1 83 83 GLU HB3 H 1 2.1070 . . . . . . . . . . . 4649 1 722 . 1 1 83 83 GLU HG3 H 1 2.6110 . . . . . . . . . . . 4649 1 723 . 1 1 83 83 GLU HG2 H 1 2.1390 . . . . . . . . . . . 4649 1 724 . 1 1 83 83 GLU H H 1 8.8148 . . . . . . . . . . . 4649 1 725 . 1 1 83 83 GLU N N 15 116.9299 . . . . . . . . . . . 4649 1 726 . 1 1 84 84 THR C C 13 176.7823 . . . . . . . . . . . 4649 1 727 . 1 1 84 84 THR CA C 13 65.8374 . . . . . . . . . . . 4649 1 728 . 1 1 84 84 THR CB C 13 69.0338 . . . . . . . . . . . 4649 1 729 . 1 1 84 84 THR CG2 C 13 21.3340 . . . . . . . . . . . 4649 1 730 . 1 1 84 84 THR HA H 1 4.0500 . . . . . . . . . . . 4649 1 731 . 1 1 84 84 THR HB H 1 4.3110 . . . . . . . . . . . 4649 1 732 . 1 1 84 84 THR HG21 H 1 1.2702 . . . . . . . . . . . 4649 1 733 . 1 1 84 84 THR HG22 H 1 1.2702 . . . . . . . . . . . 4649 1 734 . 1 1 84 84 THR HG23 H 1 1.2702 . . . . . . . . . . . 4649 1 735 . 1 1 84 84 THR H H 1 7.8064 . . . . . . . . . . . 4649 1 736 . 1 1 84 84 THR N N 15 114.5905 . . . . . . . . . . . 4649 1 737 . 1 1 85 85 ARG C C 13 179.8966 . . . . . . . . . . . 4649 1 738 . 1 1 85 85 ARG CA C 13 58.3354 . . . . . . . . . . . 4649 1 739 . 1 1 85 85 ARG CB C 13 31.0583 . . . . . . . . . . . 4649 1 740 . 1 1 85 85 ARG CD C 13 43.7630 . . . . . . . . . . . 4649 1 741 . 1 1 85 85 ARG CG C 13 27.6080 . . . . . . . . . . . 4649 1 742 . 1 1 85 85 ARG HA H 1 4.2090 . . . . . . . . . . . 4649 1 743 . 1 1 85 85 ARG HB2 H 1 1.9310 . . . . . . . . . . . 4649 1 744 . 1 1 85 85 ARG HD2 H 1 3.2110 . . . . . . . . . . . 4649 1 745 . 1 1 85 85 ARG HG3 H 1 1.8100 . . . . . . . . . . . 4649 1 746 . 1 1 85 85 ARG HG2 H 1 1.7050 . . . . . . . . . . . 4649 1 747 . 1 1 85 85 ARG H H 1 7.7851 . . . . . . . . . . . 4649 1 748 . 1 1 85 85 ARG N N 15 120.9355 . . . . . . . . . . . 4649 1 749 . 1 1 86 86 GLY C C 13 174.1721 . . . . . . . . . . . 4649 1 750 . 1 1 86 86 GLY CA C 13 45.3194 . . . . . . . . . . . 4649 1 751 . 1 1 86 86 GLY HA2 H 1 4.3580 . . . . . . . . . . . 4649 1 752 . 1 1 86 86 GLY HA3 H 1 3.7070 . . . . . . . . . . . 4649 1 753 . 1 1 86 86 GLY H H 1 7.9660 . . . . . . . . . . . 4649 1 754 . 1 1 86 86 GLY N N 15 109.3615 . . . . . . . . . . . 4649 1 755 . 1 1 87 87 ILE C C 13 177.3589 . . . . . . . . . . . 4649 1 756 . 1 1 87 87 ILE CA C 13 60.6452 . . . . . . . . . . . 4649 1 757 . 1 1 87 87 ILE CB C 13 40.3969 . . . . . . . . . . . 4649 1 758 . 1 1 87 87 ILE CD1 C 13 77.8330 . . . . . . . . . . . 4649 1 759 . 1 1 87 87 ILE CG1 C 13 27.3970 . . . . . . . . . . . 4649 1 760 . 1 1 87 87 ILE CG2 C 13 16.8920 . . . . . . . . . . . 4649 1 761 . 1 1 87 87 ILE HA H 1 4.2630 . . . . . . . . . . . 4649 1 762 . 1 1 87 87 ILE HB H 1 1.6600 . . . . . . . . . . . 4649 1 763 . 1 1 87 87 ILE HD11 H 1 0.5550 . . . . . . . . . . . 4649 1 764 . 1 1 87 87 ILE HD12 H 1 0.5550 . . . . . . . . . . . 4649 1 765 . 1 1 87 87 ILE HD13 H 1 0.5550 . . . . . . . . . . . 4649 1 766 . 1 1 87 87 ILE HG12 H 1 1.4870 . . . . . . . . . . . 4649 1 767 . 1 1 87 87 ILE HG13 H 1 0.8400 . . . . . . . . . . . 4649 1 768 . 1 1 87 87 ILE HG21 H 1 0.7650 . . . . . . . . . . . 4649 1 769 . 1 1 87 87 ILE HG22 H 1 0.7650 . . . . . . . . . . . 4649 1 770 . 1 1 87 87 ILE HG23 H 1 0.7650 . . . . . . . . . . . 4649 1 771 . 1 1 87 87 ILE H H 1 8.6483 . . . . . . . . . . . 4649 1 772 . 1 1 87 87 ILE N N 15 125.3024 . . . . . . . . . . . 4649 1 773 . 1 1 88 88 THR C C 13 176.0799 . . . . . . . . . . . 4649 1 774 . 1 1 88 88 THR CA C 13 64.8473 . . . . . . . . . . . 4649 1 775 . 1 1 88 88 THR CB C 13 69.1790 . . . . . . . . . . . 4649 1 776 . 1 1 88 88 THR CG2 C 13 22.0860 . . . . . . . . . . . 4649 1 777 . 1 1 88 88 THR HA H 1 4.0255 . . . . . . . . . . . 4649 1 778 . 1 1 88 88 THR HB H 1 4.0450 . . . . . . . . . . . 4649 1 779 . 1 1 88 88 THR HG21 H 1 1.6863 . . . . . . . . . . . 4649 1 780 . 1 1 88 88 THR HG22 H 1 1.6863 . . . . . . . . . . . 4649 1 781 . 1 1 88 88 THR HG23 H 1 1.6863 . . . . . . . . . . . 4649 1 782 . 1 1 88 88 THR H H 1 8.6764 . . . . . . . . . . . 4649 1 783 . 1 1 88 88 THR N N 15 124.2393 . . . . . . . . . . . 4649 1 784 . 1 1 89 89 SER C C 13 174.3063 . . . . . . . . . . . 4649 1 785 . 1 1 89 89 SER CA C 13 60.1220 . . . . . . . . . . . 4649 1 786 . 1 1 89 89 SER CB C 13 63.2027 . . . . . . . . . . . 4649 1 787 . 1 1 89 89 SER HA H 1 4.1640 . . . . . . . . . . . 4649 1 788 . 1 1 89 89 SER HB2 H 1 4.0980 . . . . . . . . . . . 4649 1 789 . 1 1 89 89 SER H H 1 8.8444 . . . . . . . . . . . 4649 1 790 . 1 1 89 89 SER N N 15 117.6316 . . . . . . . . . . . 4649 1 791 . 1 1 90 90 TYR C C 13 174.2146 . . . . . . . . . . . 4649 1 792 . 1 1 90 90 TYR CA C 13 56.4703 . . . . . . . . . . . 4649 1 793 . 1 1 90 90 TYR CB C 13 39.3673 . . . . . . . . . . . 4649 1 794 . 1 1 90 90 TYR HA H 1 4.6800 . . . . . . . . . . . 4649 1 795 . 1 1 90 90 TYR HB2 H 1 3.1550 . . . . . . . . . . . 4649 1 796 . 1 1 90 90 TYR HB3 H 1 2.6750 . . . . . . . . . . . 4649 1 797 . 1 1 90 90 TYR H H 1 7.9261 . . . . . . . . . . . 4649 1 798 . 1 1 90 90 TYR N N 15 121.5559 . . . . . . . . . . . 4649 1 799 . 1 1 91 91 ASN CA C 13 48.7538 . . . . . . . . . . . 4649 1 800 . 1 1 91 91 ASN CB C 13 39.3424 . . . . . . . . . . . 4649 1 801 . 1 1 91 91 ASN HA H 1 5.0050 . . . . . . . . . . . 4649 1 802 . 1 1 91 91 ASN H H 1 9.0194 . . . . . . . . . . . 4649 1 803 . 1 1 91 91 ASN N N 15 127.8300 . . . . . . . . . . . 4649 1 804 . 1 1 92 92 PRO C C 13 179.4696 . . . . . . . . . . . 4649 1 805 . 1 1 92 92 PRO CA C 13 63.6810 . . . . . . . . . . . 4649 1 806 . 1 1 92 92 PRO CB C 13 32.0600 . . . . . . . . . . . 4649 1 807 . 1 1 92 92 PRO CD C 13 51.1510 . . . . . . . . . . . 4649 1 808 . 1 1 92 92 PRO CG C 13 26.8730 . . . . . . . . . . . 4649 1 809 . 1 1 92 92 PRO HA H 1 3.9460 . . . . . . . . . . . 4649 1 810 . 1 1 92 92 PRO HB2 H 1 2.2510 . . . . . . . . . . . 4649 1 811 . 1 1 92 92 PRO HB3 H 1 1.9000 . . . . . . . . . . . 4649 1 812 . 1 1 92 92 PRO HD2 H 1 3.8400 . . . . . . . . . . . 4649 1 813 . 1 1 92 92 PRO HD3 H 1 3.3470 . . . . . . . . . . . 4649 1 814 . 1 1 92 92 PRO HG2 H 1 1.8850 . . . . . . . . . . . 4649 1 815 . 1 1 93 93 LEU C C 13 179.3122 . . . . . . . . . . . 4649 1 816 . 1 1 93 93 LEU CA C 13 56.6833 . . . . . . . . . . . 4649 1 817 . 1 1 93 93 LEU CB C 13 40.9299 . . . . . . . . . . . 4649 1 818 . 1 1 93 93 LEU CD1 C 13 25.1370 . . . . . . . . . . . 4649 1 819 . 1 1 93 93 LEU CD2 C 13 22.7030 . . . . . . . . . . . 4649 1 820 . 1 1 93 93 LEU CG C 13 27.4680 . . . . . . . . . . . 4649 1 821 . 1 1 93 93 LEU HA H 1 4.0750 . . . . . . . . . . . 4649 1 822 . 1 1 93 93 LEU HB2 H 1 1.6380 . . . . . . . . . . . 4649 1 823 . 1 1 93 93 LEU HB3 H 1 1.4740 . . . . . . . . . . . 4649 1 824 . 1 1 93 93 LEU HD11 H 1 0.9050 . . . . . . . . . . . 4649 1 825 . 1 1 93 93 LEU HD12 H 1 0.9050 . . . . . . . . . . . 4649 1 826 . 1 1 93 93 LEU HD13 H 1 0.9050 . . . . . . . . . . . 4649 1 827 . 1 1 93 93 LEU HD21 H 1 0.8250 . . . . . . . . . . . 4649 1 828 . 1 1 93 93 LEU HD22 H 1 0.8250 . . . . . . . . . . . 4649 1 829 . 1 1 93 93 LEU HD23 H 1 0.8250 . . . . . . . . . . . 4649 1 830 . 1 1 93 93 LEU HG H 1 1.6140 . . . . . . . . . . . 4649 1 831 . 1 1 93 93 LEU H H 1 7.6271 . . . . . . . . . . . 4649 1 832 . 1 1 93 93 LEU N N 15 118.1283 . . . . . . . . . . . 4649 1 833 . 1 1 94 94 ALA C C 13 177.3770 . . . . . . . . . . . 4649 1 834 . 1 1 94 94 ALA CA C 13 51.9854 . . . . . . . . . . . 4649 1 835 . 1 1 94 94 ALA CB C 13 18.1060 . . . . . . . . . . . 4649 1 836 . 1 1 94 94 ALA HA H 1 4.4180 . . . . . . . . . . . 4649 1 837 . 1 1 94 94 ALA HB1 H 1 1.3723 . . . . . . . . . . . 4649 1 838 . 1 1 94 94 ALA HB2 H 1 1.3723 . . . . . . . . . . . 4649 1 839 . 1 1 94 94 ALA HB3 H 1 1.3723 . . . . . . . . . . . 4649 1 840 . 1 1 94 94 ALA H H 1 7.4573 . . . . . . . . . . . 4649 1 841 . 1 1 94 94 ALA N N 15 119.9186 . . . . . . . . . . . 4649 1 842 . 1 1 95 95 GLY CA C 13 44.0114 . . . . . . . . . . . 4649 1 843 . 1 1 95 95 GLY HA2 H 1 4.5450 . . . . . . . . . . . 4649 1 844 . 1 1 95 95 GLY HA3 H 1 3.9810 . . . . . . . . . . . 4649 1 845 . 1 1 95 95 GLY H H 1 7.2660 . . . . . . . . . . . 4649 1 846 . 1 1 95 95 GLY N N 15 107.3860 . . . . . . . . . . . 4649 1 847 . 1 1 96 96 PRO C C 13 178.6933 . . . . . . . . . . . 4649 1 848 . 1 1 96 96 PRO CA C 13 63.2750 . . . . . . . . . . . 4649 1 849 . 1 1 96 96 PRO CB C 13 32.8010 . . . . . . . . . . . 4649 1 850 . 1 1 96 96 PRO HA H 1 4.7790 . . . . . . . . . . . 4649 1 851 . 1 1 96 96 PRO HB2 H 1 2.6650 . . . . . . . . . . . 4649 1 852 . 1 1 96 96 PRO HB3 H 1 1.9140 . . . . . . . . . . . 4649 1 853 . 1 1 97 97 LEU C C 13 178.5418 . . . . . . . . . . . 4649 1 854 . 1 1 97 97 LEU CA C 13 59.6812 . . . . . . . . . . . 4649 1 855 . 1 1 97 97 LEU CB C 13 41.4350 . . . . . . . . . . . 4649 1 856 . 1 1 97 97 LEU CG C 13 26.8250 . . . . . . . . . . . 4649 1 857 . 1 1 97 97 LEU HA H 1 3.7470 . . . . . . . . . . . 4649 1 858 . 1 1 97 97 LEU HB2 H 1 1.7220 . . . . . . . . . . . 4649 1 859 . 1 1 97 97 LEU HB3 H 1 1.1420 . . . . . . . . . . . 4649 1 860 . 1 1 97 97 LEU H H 1 8.8384 . . . . . . . . . . . 4649 1 861 . 1 1 97 97 LEU N N 15 127.4123 . . . . . . . . . . . 4649 1 862 . 1 1 98 98 ARG C C 13 176.5477 . . . . . . . . . . . 4649 1 863 . 1 1 98 98 ARG CA C 13 59.4288 . . . . . . . . . . . 4649 1 864 . 1 1 98 98 ARG CB C 13 30.3491 . . . . . . . . . . . 4649 1 865 . 1 1 98 98 ARG CD C 13 43.7700 . . . . . . . . . . . 4649 1 866 . 1 1 98 98 ARG CG C 13 70.5190 . . . . . . . . . . . 4649 1 867 . 1 1 98 98 ARG HA H 1 3.3510 . . . . . . . . . . . 4649 1 868 . 1 1 98 98 ARG HB2 H 1 1.6550 . . . . . . . . . . . 4649 1 869 . 1 1 98 98 ARG HG3 H 1 1.5130 . . . . . . . . . . . 4649 1 870 . 1 1 98 98 ARG H H 1 9.0770 . . . . . . . . . . . 4649 1 871 . 1 1 98 98 ARG N N 15 113.7910 . . . . . . . . . . . 4649 1 872 . 1 1 99 99 VAL C C 13 181.2110 . . . . . . . . . . . 4649 1 873 . 1 1 99 99 VAL CA C 13 64.9147 . . . . . . . . . . . 4649 1 874 . 1 1 99 99 VAL CB C 13 32.7314 . . . . . . . . . . . 4649 1 875 . 1 1 99 99 VAL CG1 C 13 21.0410 . . . . . . . . . . . 4649 1 876 . 1 1 99 99 VAL CG2 C 13 22.5934 . . . . . . . . . . . 4649 1 877 . 1 1 99 99 VAL HA H 1 3.7740 . . . . . . . . . . . 4649 1 878 . 1 1 99 99 VAL HB H 1 2.0370 . . . . . . . . . . . 4649 1 879 . 1 1 99 99 VAL HG11 H 1 0.9850 . . . . . . . . . . . 4649 1 880 . 1 1 99 99 VAL HG12 H 1 0.9850 . . . . . . . . . . . 4649 1 881 . 1 1 99 99 VAL HG13 H 1 0.9850 . . . . . . . . . . . 4649 1 882 . 1 1 99 99 VAL HG21 H 1 0.9710 . . . . . . . . . . . 4649 1 883 . 1 1 99 99 VAL HG22 H 1 0.9710 . . . . . . . . . . . 4649 1 884 . 1 1 99 99 VAL HG23 H 1 0.9710 . . . . . . . . . . . 4649 1 885 . 1 1 99 99 VAL H H 1 6.7915 . . . . . . . . . . . 4649 1 886 . 1 1 99 99 VAL N N 15 115.4975 . . . . . . . . . . . 4649 1 887 . 1 1 100 100 GLN C C 13 178.7611 . . . . . . . . . . . 4649 1 888 . 1 1 100 100 GLN CA C 13 60.9163 . . . . . . . . . . . 4649 1 889 . 1 1 100 100 GLN CB C 13 29.8336 . . . . . . . . . . . 4649 1 890 . 1 1 100 100 GLN CG C 13 35.1060 . . . . . . . . . . . 4649 1 891 . 1 1 100 100 GLN HA H 1 4.0760 . . . . . . . . . . . 4649 1 892 . 1 1 100 100 GLN HB2 H 1 2.3240 . . . . . . . . . . . 4649 1 893 . 1 1 100 100 GLN HB3 H 1 1.7480 . . . . . . . . . . . 4649 1 894 . 1 1 100 100 GLN HG3 H 1 2.3260 . . . . . . . . . . . 4649 1 895 . 1 1 100 100 GLN HG2 H 1 2.0230 . . . . . . . . . . . 4649 1 896 . 1 1 100 100 GLN H H 1 8.1725 . . . . . . . . . . . 4649 1 897 . 1 1 100 100 GLN N N 15 121.8982 . . . . . . . . . . . 4649 1 898 . 1 1 101 101 ALA C C 13 178.5729 . . . . . . . . . . . 4649 1 899 . 1 1 101 101 ALA CA C 13 53.5000 . . . . . . . . . . . 4649 1 900 . 1 1 101 101 ALA CB C 13 18.2640 . . . . . . . . . . . 4649 1 901 . 1 1 101 101 ALA HA H 1 3.8740 . . . . . . . . . . . 4649 1 902 . 1 1 101 101 ALA HB1 H 1 1.0140 . . . . . . . . . . . 4649 1 903 . 1 1 101 101 ALA HB2 H 1 1.0140 . . . . . . . . . . . 4649 1 904 . 1 1 101 101 ALA HB3 H 1 1.0140 . . . . . . . . . . . 4649 1 905 . 1 1 101 101 ALA H H 1 8.2040 . . . . . . . . . . . 4649 1 906 . 1 1 101 101 ALA N N 15 116.0720 . . . . . . . . . . . 4649 1 907 . 1 1 102 102 ASN C C 13 175.7211 . . . . . . . . . . . 4649 1 908 . 1 1 102 102 ASN CA C 13 53.0700 . . . . . . . . . . . 4649 1 909 . 1 1 102 102 ASN CB C 13 39.1110 . . . . . . . . . . . 4649 1 910 . 1 1 102 102 ASN HA H 1 4.8410 . . . . . . . . . . . 4649 1 911 . 1 1 102 102 ASN HB2 H 1 2.8510 . . . . . . . . . . . 4649 1 912 . 1 1 102 102 ASN H H 1 7.4902 . . . . . . . . . . . 4649 1 913 . 1 1 102 102 ASN N N 15 117.6853 . . . . . . . . . . . 4649 1 914 . 1 1 103 103 ASN CA C 13 50.6670 . . . . . . . . . . . 4649 1 915 . 1 1 103 103 ASN CB C 13 38.7704 . . . . . . . . . . . 4649 1 916 . 1 1 103 103 ASN HA H 1 5.0320 . . . . . . . . . . . 4649 1 917 . 1 1 103 103 ASN HB2 H 1 3.3800 . . . . . . . . . . . 4649 1 918 . 1 1 103 103 ASN HB3 H 1 3.0010 . . . . . . . . . . . 4649 1 919 . 1 1 103 103 ASN H H 1 7.6487 . . . . . . . . . . . 4649 1 920 . 1 1 103 103 ASN N N 15 121.2050 . . . . . . . . . . . 4649 1 921 . 1 1 104 104 PRO C C 13 177.4921 . . . . . . . . . . . 4649 1 922 . 1 1 104 104 PRO CA C 13 64.9210 . . . . . . . . . . . 4649 1 923 . 1 1 104 104 PRO CB C 13 32.3590 . . . . . . . . . . . 4649 1 924 . 1 1 104 104 PRO CD C 13 51.6030 . . . . . . . . . . . 4649 1 925 . 1 1 104 104 PRO CG C 13 28.0590 . . . . . . . . . . . 4649 1 926 . 1 1 104 104 PRO HA H 1 3.9665 . . . . . . . . . . . 4649 1 927 . 1 1 104 104 PRO HB2 H 1 1.8840 . . . . . . . . . . . 4649 1 928 . 1 1 104 104 PRO HD2 H 1 4.4240 . . . . . . . . . . . 4649 1 929 . 1 1 104 104 PRO HD3 H 1 3.9210 . . . . . . . . . . . 4649 1 930 . 1 1 105 105 GLN C C 13 178.5586 . . . . . . . . . . . 4649 1 931 . 1 1 105 105 GLN CA C 13 57.3623 . . . . . . . . . . . 4649 1 932 . 1 1 105 105 GLN CB C 13 29.1222 . . . . . . . . . . . 4649 1 933 . 1 1 105 105 GLN CG C 13 34.1240 . . . . . . . . . . . 4649 1 934 . 1 1 105 105 GLN HA H 1 4.1560 . . . . . . . . . . . 4649 1 935 . 1 1 105 105 GLN HB2 H 1 2.2400 . . . . . . . . . . . 4649 1 936 . 1 1 105 105 GLN HB3 H 1 1.9850 . . . . . . . . . . . 4649 1 937 . 1 1 105 105 GLN HG3 H 1 2.4850 . . . . . . . . . . . 4649 1 938 . 1 1 105 105 GLN H H 1 7.9938 . . . . . . . . . . . 4649 1 939 . 1 1 105 105 GLN N N 15 113.4873 . . . . . . . . . . . 4649 1 940 . 1 1 106 106 GLN C C 13 176.1063 . . . . . . . . . . . 4649 1 941 . 1 1 106 106 GLN CA C 13 53.9739 . . . . . . . . . . . 4649 1 942 . 1 1 106 106 GLN CB C 13 26.6178 . . . . . . . . . . . 4649 1 943 . 1 1 106 106 GLN CG C 13 33.0900 . . . . . . . . . . . 4649 1 944 . 1 1 106 106 GLN HA H 1 4.6650 . . . . . . . . . . . 4649 1 945 . 1 1 106 106 GLN HB2 H 1 2.2000 . . . . . . . . . . . 4649 1 946 . 1 1 106 106 GLN HG3 H 1 2.5320 . . . . . . . . . . . 4649 1 947 . 1 1 106 106 GLN HG2 H 1 2.2260 . . . . . . . . . . . 4649 1 948 . 1 1 106 106 GLN H H 1 7.7610 . . . . . . . . . . . 4649 1 949 . 1 1 106 106 GLN N N 15 120.6060 . . . . . . . . . . . 4649 1 950 . 1 1 107 107 GLN CA C 13 60.2303 . . . . . . . . . . . 4649 1 951 . 1 1 107 107 GLN CB C 13 29.9288 . . . . . . . . . . . 4649 1 952 . 1 1 107 107 GLN CG C 13 34.1250 . . . . . . . . . . . 4649 1 953 . 1 1 107 107 GLN HA H 1 3.7380 . . . . . . . . . . . 4649 1 954 . 1 1 107 107 GLN HB2 H 1 2.3230 . . . . . . . . . . . 4649 1 955 . 1 1 107 107 GLN HB3 H 1 2.0420 . . . . . . . . . . . 4649 1 956 . 1 1 107 107 GLN HG2 H 1 2.2260 . . . . . . . . . . . 4649 1 957 . 1 1 107 107 GLN H H 1 7.6092 . . . . . . . . . . . 4649 1 958 . 1 1 107 107 GLN N N 15 121.6059 . . . . . . . . . . . 4649 1 959 . 1 1 108 108 GLY C C 13 178.0115 . . . . . . . . . . . 4649 1 960 . 1 1 108 108 GLY CA C 13 47.5375 . . . . . . . . . . . 4649 1 961 . 1 1 108 108 GLY HA2 H 1 3.9445 . . . . . . . . . . . 4649 1 962 . 1 1 108 108 GLY HA3 H 1 3.7505 . . . . . . . . . . . 4649 1 963 . 1 1 108 108 GLY H H 1 8.6076 . . . . . . . . . . . 4649 1 964 . 1 1 108 108 GLY N N 15 106.5760 . . . . . . . . . . . 4649 1 965 . 1 1 109 109 LEU C C 13 179.7594 . . . . . . . . . . . 4649 1 966 . 1 1 109 109 LEU CA C 13 57.5448 . . . . . . . . . . . 4649 1 967 . 1 1 109 109 LEU CB C 13 41.1042 . . . . . . . . . . . 4649 1 968 . 1 1 109 109 LEU CD1 C 13 27.3790 . . . . . . . . . . . 4649 1 969 . 1 1 109 109 LEU CD2 C 13 23.6600 . . . . . . . . . . . 4649 1 970 . 1 1 109 109 LEU CG C 13 26.9760 . . . . . . . . . . . 4649 1 971 . 1 1 109 109 LEU HA H 1 4.0790 . . . . . . . . . . . 4649 1 972 . 1 1 109 109 LEU HB2 H 1 1.6720 . . . . . . . . . . . 4649 1 973 . 1 1 109 109 LEU HB3 H 1 1.2610 . . . . . . . . . . . 4649 1 974 . 1 1 109 109 LEU HD11 H 1 0.8610 . . . . . . . . . . . 4649 1 975 . 1 1 109 109 LEU HD12 H 1 0.8610 . . . . . . . . . . . 4649 1 976 . 1 1 109 109 LEU HD13 H 1 0.8610 . . . . . . . . . . . 4649 1 977 . 1 1 109 109 LEU HD21 H 1 0.7340 . . . . . . . . . . . 4649 1 978 . 1 1 109 109 LEU HD22 H 1 0.7340 . . . . . . . . . . . 4649 1 979 . 1 1 109 109 LEU HD23 H 1 0.7340 . . . . . . . . . . . 4649 1 980 . 1 1 109 109 LEU HG H 1 1.7690 . . . . . . . . . . . 4649 1 981 . 1 1 109 109 LEU H H 1 8.0709 . . . . . . . . . . . 4649 1 982 . 1 1 109 109 LEU N N 15 121.1165 . . . . . . . . . . . 4649 1 983 . 1 1 110 110 ARG C C 13 179.6401 . . . . . . . . . . . 4649 1 984 . 1 1 110 110 ARG CA C 13 60.8637 . . . . . . . . . . . 4649 1 985 . 1 1 110 110 ARG CB C 13 29.4394 . . . . . . . . . . . 4649 1 986 . 1 1 110 110 ARG HA H 1 3.9320 . . . . . . . . . . . 4649 1 987 . 1 1 110 110 ARG HB2 H 1 2.0140 . . . . . . . . . . . 4649 1 988 . 1 1 110 110 ARG H H 1 8.3125 . . . . . . . . . . . 4649 1 989 . 1 1 110 110 ARG N N 15 120.5190 . . . . . . . . . . . 4649 1 990 . 1 1 111 111 ARG C C 13 180.2349 . . . . . . . . . . . 4649 1 991 . 1 1 111 111 ARG CA C 13 58.6855 . . . . . . . . . . . 4649 1 992 . 1 1 111 111 ARG CB C 13 29.0929 . . . . . . . . . . . 4649 1 993 . 1 1 111 111 ARG CD C 13 42.8710 . . . . . . . . . . . 4649 1 994 . 1 1 111 111 ARG HA H 1 4.1010 . . . . . . . . . . . 4649 1 995 . 1 1 111 111 ARG HB2 H 1 2.0310 . . . . . . . . . . . 4649 1 996 . 1 1 111 111 ARG H H 1 8.4891 . . . . . . . . . . . 4649 1 997 . 1 1 111 111 ARG N N 15 119.1000 . . . . . . . . . . . 4649 1 998 . 1 1 112 112 GLU C C 13 180.1004 . . . . . . . . . . . 4649 1 999 . 1 1 112 112 GLU CA C 13 59.4023 . . . . . . . . . . . 4649 1 1000 . 1 1 112 112 GLU CB C 13 28.8844 . . . . . . . . . . . 4649 1 1001 . 1 1 112 112 GLU CG C 13 34.9450 . . . . . . . . . . . 4649 1 1002 . 1 1 112 112 GLU HA H 1 4.1240 . . . . . . . . . . . 4649 1 1003 . 1 1 112 112 GLU HB2 H 1 2.1480 . . . . . . . . . . . 4649 1 1004 . 1 1 112 112 GLU HB3 H 1 2.0780 . . . . . . . . . . . 4649 1 1005 . 1 1 112 112 GLU HG3 H 1 2.3610 . . . . . . . . . . . 4649 1 1006 . 1 1 112 112 GLU HG2 H 1 2.2460 . . . . . . . . . . . 4649 1 1007 . 1 1 112 112 GLU H H 1 7.9607 . . . . . . . . . . . 4649 1 1008 . 1 1 112 112 GLU N N 15 119.9780 . . . . . . . . . . . 4649 1 1009 . 1 1 113 113 TYR C C 13 178.2226 . . . . . . . . . . . 4649 1 1010 . 1 1 113 113 TYR CA C 13 63.3036 . . . . . . . . . . . 4649 1 1011 . 1 1 113 113 TYR CB C 13 38.8765 . . . . . . . . . . . 4649 1 1012 . 1 1 113 113 TYR HA H 1 3.7450 . . . . . . . . . . . 4649 1 1013 . 1 1 113 113 TYR HB2 H 1 3.2250 . . . . . . . . . . . 4649 1 1014 . 1 1 113 113 TYR HB3 H 1 2.7260 . . . . . . . . . . . 4649 1 1015 . 1 1 113 113 TYR H H 1 8.6038 . . . . . . . . . . . 4649 1 1016 . 1 1 113 113 TYR N N 15 119.9942 . . . . . . . . . . . 4649 1 1017 . 1 1 114 114 GLN C C 13 175.4444 . . . . . . . . . . . 4649 1 1018 . 1 1 114 114 GLN CA C 13 59.3470 . . . . . . . . . . . 4649 1 1019 . 1 1 114 114 GLN CB C 13 28.0140 . . . . . . . . . . . 4649 1 1020 . 1 1 114 114 GLN CG C 13 33.9390 . . . . . . . . . . . 4649 1 1021 . 1 1 114 114 GLN HB2 H 1 1.8700 . . . . . . . . . . . 4649 1 1022 . 1 1 114 114 GLN HG2 H 1 3.0740 . . . . . . . . . . . 4649 1 1023 . 1 1 114 114 GLN H H 1 8.8136 . . . . . . . . . . . 4649 1 1024 . 1 1 114 114 GLN N N 15 117.2897 . . . . . . . . . . . 4649 1 1025 . 1 1 115 115 GLN C C 13 180.6721 . . . . . . . . . . . 4649 1 1026 . 1 1 115 115 GLN CA C 13 58.8653 . . . . . . . . . . . 4649 1 1027 . 1 1 115 115 GLN CB C 13 28.3621 . . . . . . . . . . . 4649 1 1028 . 1 1 115 115 GLN CG C 13 34.0840 . . . . . . . . . . . 4649 1 1029 . 1 1 115 115 GLN HA H 1 4.1100 . . . . . . . . . . . 4649 1 1030 . 1 1 115 115 GLN HB2 H 1 2.2780 . . . . . . . . . . . 4649 1 1031 . 1 1 115 115 GLN HG2 H 1 2.6230 . . . . . . . . . . . 4649 1 1032 . 1 1 115 115 GLN H H 1 7.8735 . . . . . . . . . . . 4649 1 1033 . 1 1 115 115 GLN N N 15 115.1987 . . . . . . . . . . . 4649 1 1034 . 1 1 116 116 LEU C C 13 178.0198 . . . . . . . . . . . 4649 1 1035 . 1 1 116 116 LEU CA C 13 58.3580 . . . . . . . . . . . 4649 1 1036 . 1 1 116 116 LEU CB C 13 41.7494 . . . . . . . . . . . 4649 1 1037 . 1 1 116 116 LEU CD1 C 13 23.3090 . . . . . . . . . . . 4649 1 1038 . 1 1 116 116 LEU CD2 C 13 23.5910 . . . . . . . . . . . 4649 1 1039 . 1 1 116 116 LEU CG C 13 26.1150 . . . . . . . . . . . 4649 1 1040 . 1 1 116 116 LEU HA H 1 4.0130 . . . . . . . . . . . 4649 1 1041 . 1 1 116 116 LEU HB2 H 1 1.6510 . . . . . . . . . . . 4649 1 1042 . 1 1 116 116 LEU HB3 H 1 1.0100 . . . . . . . . . . . 4649 1 1043 . 1 1 116 116 LEU HD11 H 1 0.7120 . . . . . . . . . . . 4649 1 1044 . 1 1 116 116 LEU HD12 H 1 0.7120 . . . . . . . . . . . 4649 1 1045 . 1 1 116 116 LEU HD13 H 1 0.7120 . . . . . . . . . . . 4649 1 1046 . 1 1 116 116 LEU HD21 H 1 0.6000 . . . . . . . . . . . 4649 1 1047 . 1 1 116 116 LEU HD22 H 1 0.6000 . . . . . . . . . . . 4649 1 1048 . 1 1 116 116 LEU HD23 H 1 0.6000 . . . . . . . . . . . 4649 1 1049 . 1 1 116 116 LEU HG H 1 1.8420 . . . . . . . . . . . 4649 1 1050 . 1 1 116 116 LEU H H 1 7.8820 . . . . . . . . . . . 4649 1 1051 . 1 1 116 116 LEU N N 15 122.6012 . . . . . . . . . . . 4649 1 1052 . 1 1 117 117 TRP C C 13 180.1829 . . . . . . . . . . . 4649 1 1053 . 1 1 117 117 TRP CA C 13 62.7365 . . . . . . . . . . . 4649 1 1054 . 1 1 117 117 TRP CB C 13 29.7385 . . . . . . . . . . . 4649 1 1055 . 1 1 117 117 TRP HA H 1 3.8530 . . . . . . . . . . . 4649 1 1056 . 1 1 117 117 TRP HB2 H 1 3.6370 . . . . . . . . . . . 4649 1 1057 . 1 1 117 117 TRP HB3 H 1 2.8790 . . . . . . . . . . . 4649 1 1058 . 1 1 117 117 TRP H H 1 8.8808 . . . . . . . . . . . 4649 1 1059 . 1 1 117 117 TRP N N 15 121.1499 . . . . . . . . . . . 4649 1 1060 . 1 1 118 118 LEU C C 13 180.4387 . . . . . . . . . . . 4649 1 1061 . 1 1 118 118 LEU CA C 13 58.4236 . . . . . . . . . . . 4649 1 1062 . 1 1 118 118 LEU CB C 13 43.0798 . . . . . . . . . . . 4649 1 1063 . 1 1 118 118 LEU CD1 C 13 25.1140 . . . . . . . . . . . 4649 1 1064 . 1 1 118 118 LEU CD2 C 13 26.9040 . . . . . . . . . . . 4649 1 1065 . 1 1 118 118 LEU CG C 13 27.9960 . . . . . . . . . . . 4649 1 1066 . 1 1 118 118 LEU HA H 1 4.3330 . . . . . . . . . . . 4649 1 1067 . 1 1 118 118 LEU HB2 H 1 2.2520 . . . . . . . . . . . 4649 1 1068 . 1 1 118 118 LEU HB3 H 1 1.5170 . . . . . . . . . . . 4649 1 1069 . 1 1 118 118 LEU HD11 H 1 1.1100 . . . . . . . . . . . 4649 1 1070 . 1 1 118 118 LEU HD12 H 1 1.1100 . . . . . . . . . . . 4649 1 1071 . 1 1 118 118 LEU HD13 H 1 1.1100 . . . . . . . . . . . 4649 1 1072 . 1 1 118 118 LEU HD21 H 1 1.1030 . . . . . . . . . . . 4649 1 1073 . 1 1 118 118 LEU HD22 H 1 1.1030 . . . . . . . . . . . 4649 1 1074 . 1 1 118 118 LEU HD23 H 1 1.1030 . . . . . . . . . . . 4649 1 1075 . 1 1 118 118 LEU HG H 1 2.4330 . . . . . . . . . . . 4649 1 1076 . 1 1 118 118 LEU H H 1 8.6894 . . . . . . . . . . . 4649 1 1077 . 1 1 118 118 LEU N N 15 119.0657 . . . . . . . . . . . 4649 1 1078 . 1 1 119 119 ALA C C 13 181.6750 . . . . . . . . . . . 4649 1 1079 . 1 1 119 119 ALA CA C 13 54.8045 . . . . . . . . . . . 4649 1 1080 . 1 1 119 119 ALA CB C 13 18.1140 . . . . . . . . . . . 4649 1 1081 . 1 1 119 119 ALA HA H 1 4.1370 . . . . . . . . . . . 4649 1 1082 . 1 1 119 119 ALA HB1 H 1 1.5110 . . . . . . . . . . . 4649 1 1083 . 1 1 119 119 ALA HB2 H 1 1.5110 . . . . . . . . . . . 4649 1 1084 . 1 1 119 119 ALA HB3 H 1 1.5110 . . . . . . . . . . . 4649 1 1085 . 1 1 119 119 ALA H H 1 8.1492 . . . . . . . . . . . 4649 1 1086 . 1 1 119 119 ALA N N 15 122.8470 . . . . . . . . . . . 4649 1 1087 . 1 1 120 120 ALA C C 13 178.6428 . . . . . . . . . . . 4649 1 1088 . 1 1 120 120 ALA CA C 13 54.4827 . . . . . . . . . . . 4649 1 1089 . 1 1 120 120 ALA CB C 13 16.5330 . . . . . . . . . . . 4649 1 1090 . 1 1 120 120 ALA HA H 1 3.6860 . . . . . . . . . . . 4649 1 1091 . 1 1 120 120 ALA HB1 H 1 0.5177 . . . . . . . . . . . 4649 1 1092 . 1 1 120 120 ALA HB2 H 1 0.5177 . . . . . . . . . . . 4649 1 1093 . 1 1 120 120 ALA HB3 H 1 0.5177 . . . . . . . . . . . 4649 1 1094 . 1 1 120 120 ALA H H 1 7.9172 . . . . . . . . . . . 4649 1 1095 . 1 1 120 120 ALA N N 15 120.7458 . . . . . . . . . . . 4649 1 1096 . 1 1 121 121 PHE C C 13 178.0476 . . . . . . . . . . . 4649 1 1097 . 1 1 121 121 PHE CA C 13 62.3470 . . . . . . . . . . . 4649 1 1098 . 1 1 121 121 PHE CB C 13 40.2293 . . . . . . . . . . . 4649 1 1099 . 1 1 121 121 PHE HA H 1 3.9800 . . . . . . . . . . . 4649 1 1100 . 1 1 121 121 PHE HB3 H 1 3.0940 . . . . . . . . . . . 4649 1 1101 . 1 1 121 121 PHE H H 1 7.1980 . . . . . . . . . . . 4649 1 1102 . 1 1 121 121 PHE N N 15 111.6960 . . . . . . . . . . . 4649 1 1103 . 1 1 122 122 ALA C C 13 178.5956 . . . . . . . . . . . 4649 1 1104 . 1 1 122 122 ALA CA C 13 54.1460 . . . . . . . . . . . 4649 1 1105 . 1 1 122 122 ALA CB C 13 18.6070 . . . . . . . . . . . 4649 1 1106 . 1 1 122 122 ALA HA H 1 4.2660 . . . . . . . . . . . 4649 1 1107 . 1 1 122 122 ALA HB1 H 1 1.4860 . . . . . . . . . . . 4649 1 1108 . 1 1 122 122 ALA HB2 H 1 1.4860 . . . . . . . . . . . 4649 1 1109 . 1 1 122 122 ALA HB3 H 1 1.4860 . . . . . . . . . . . 4649 1 1110 . 1 1 122 122 ALA H H 1 7.6448 . . . . . . . . . . . 4649 1 1111 . 1 1 122 122 ALA N N 15 120.3207 . . . . . . . . . . . 4649 1 1112 . 1 1 123 123 ALA C C 13 178.4141 . . . . . . . . . . . 4649 1 1113 . 1 1 123 123 ALA CA C 13 51.8925 . . . . . . . . . . . 4649 1 1114 . 1 1 123 123 ALA CB C 13 19.4131 . . . . . . . . . . . 4649 1 1115 . 1 1 123 123 ALA HA H 1 4.3110 . . . . . . . . . . . 4649 1 1116 . 1 1 123 123 ALA HB1 H 1 1.2570 . . . . . . . . . . . 4649 1 1117 . 1 1 123 123 ALA HB2 H 1 1.2570 . . . . . . . . . . . 4649 1 1118 . 1 1 123 123 ALA HB3 H 1 1.2570 . . . . . . . . . . . 4649 1 1119 . 1 1 123 123 ALA H H 1 7.2331 . . . . . . . . . . . 4649 1 1120 . 1 1 123 123 ALA N N 15 117.9258 . . . . . . . . . . . 4649 1 1121 . 1 1 124 124 LEU CA C 13 54.3826 . . . . . . . . . . . 4649 1 1122 . 1 1 124 124 LEU CB C 13 40.2639 . . . . . . . . . . . 4649 1 1123 . 1 1 124 124 LEU CD1 C 13 26.9610 . . . . . . . . . . . 4649 1 1124 . 1 1 124 124 LEU CD2 C 13 23.8880 . . . . . . . . . . . 4649 1 1125 . 1 1 124 124 LEU CG C 13 27.4630 . . . . . . . . . . . 4649 1 1126 . 1 1 124 124 LEU HA H 1 4.3270 . . . . . . . . . . . 4649 1 1127 . 1 1 124 124 LEU HB2 H 1 1.8180 . . . . . . . . . . . 4649 1 1128 . 1 1 124 124 LEU HB3 H 1 1.4980 . . . . . . . . . . . 4649 1 1129 . 1 1 124 124 LEU HD11 H 1 0.8600 . . . . . . . . . . . 4649 1 1130 . 1 1 124 124 LEU HD12 H 1 0.8600 . . . . . . . . . . . 4649 1 1131 . 1 1 124 124 LEU HD13 H 1 0.8600 . . . . . . . . . . . 4649 1 1132 . 1 1 124 124 LEU HD21 H 1 0.7810 . . . . . . . . . . . 4649 1 1133 . 1 1 124 124 LEU HD22 H 1 0.7810 . . . . . . . . . . . 4649 1 1134 . 1 1 124 124 LEU HD23 H 1 0.7810 . . . . . . . . . . . 4649 1 1135 . 1 1 124 124 LEU HG H 1 1.8880 . . . . . . . . . . . 4649 1 1136 . 1 1 124 124 LEU H H 1 7.3698 . . . . . . . . . . . 4649 1 1137 . 1 1 124 124 LEU N N 15 119.7534 . . . . . . . . . . . 4649 1 1138 . 1 1 125 125 PRO C C 13 178.6455 . . . . . . . . . . . 4649 1 1139 . 1 1 125 125 PRO CA C 13 64.0830 . . . . . . . . . . . 4649 1 1140 . 1 1 125 125 PRO CB C 13 31.8570 . . . . . . . . . . . 4649 1 1141 . 1 1 125 125 PRO CD C 13 50.6700 . . . . . . . . . . . 4649 1 1142 . 1 1 125 125 PRO CG C 13 27.6270 . . . . . . . . . . . 4649 1 1143 . 1 1 125 125 PRO HA H 1 4.3695 . . . . . . . . . . . 4649 1 1144 . 1 1 125 125 PRO HB2 H 1 2.2680 . . . . . . . . . . . 4649 1 1145 . 1 1 125 125 PRO HB3 H 1 1.8700 . . . . . . . . . . . 4649 1 1146 . 1 1 125 125 PRO HD2 H 1 3.8590 . . . . . . . . . . . 4649 1 1147 . 1 1 125 125 PRO HD3 H 1 3.5500 . . . . . . . . . . . 4649 1 1148 . 1 1 126 126 GLY C C 13 179.2965 . . . . . . . . . . . 4649 1 1149 . 1 1 126 126 GLY CA C 13 45.7798 . . . . . . . . . . . 4649 1 1150 . 1 1 126 126 GLY HA2 H 1 3.8500 . . . . . . . . . . . 4649 1 1151 . 1 1 126 126 GLY H H 1 8.4831 . . . . . . . . . . . 4649 1 1152 . 1 1 126 126 GLY N N 15 108.5897 . . . . . . . . . . . 4649 1 1153 . 1 1 127 127 SER C C 13 175.3038 . . . . . . . . . . . 4649 1 1154 . 1 1 127 127 SER CA C 13 58.8248 . . . . . . . . . . . 4649 1 1155 . 1 1 127 127 SER CB C 13 64.0717 . . . . . . . . . . . 4649 1 1156 . 1 1 127 127 SER HA H 1 4.2950 . . . . . . . . . . . 4649 1 1157 . 1 1 127 127 SER HB2 H 1 3.8490 . . . . . . . . . . . 4649 1 1158 . 1 1 127 127 SER H H 1 7.8780 . . . . . . . . . . . 4649 1 1159 . 1 1 127 127 SER N N 15 115.0845 . . . . . . . . . . . 4649 1 1160 . 1 1 128 128 ALA C C 13 178.1231 . . . . . . . . . . . 4649 1 1161 . 1 1 128 128 ALA CA C 13 52.6221 . . . . . . . . . . . 4649 1 1162 . 1 1 128 128 ALA CB C 13 19.6154 . . . . . . . . . . . 4649 1 1163 . 1 1 128 128 ALA HA H 1 4.2820 . . . . . . . . . . . 4649 1 1164 . 1 1 128 128 ALA HB1 H 1 1.3440 . . . . . . . . . . . 4649 1 1165 . 1 1 128 128 ALA HB2 H 1 1.3440 . . . . . . . . . . . 4649 1 1166 . 1 1 128 128 ALA HB3 H 1 1.3440 . . . . . . . . . . . 4649 1 1167 . 1 1 128 128 ALA H H 1 8.0565 . . . . . . . . . . . 4649 1 1168 . 1 1 128 128 ALA N N 15 124.9357 . . . . . . . . . . . 4649 1 1169 . 1 1 129 129 LYS C C 13 176.8063 . . . . . . . . . . . 4649 1 1170 . 1 1 129 129 LYS CA C 13 56.2056 . . . . . . . . . . . 4649 1 1171 . 1 1 129 129 LYS CB C 13 33.3940 . . . . . . . . . . . 4649 1 1172 . 1 1 129 129 LYS CD C 13 29.1780 . . . . . . . . . . . 4649 1 1173 . 1 1 129 129 LYS CE C 13 42.4050 . . . . . . . . . . . 4649 1 1174 . 1 1 129 129 LYS CG C 13 24.7020 . . . . . . . . . . . 4649 1 1175 . 1 1 129 129 LYS HA H 1 4.1860 . . . . . . . . . . . 4649 1 1176 . 1 1 129 129 LYS HB2 H 1 1.7000 . . . . . . . . . . . 4649 1 1177 . 1 1 129 129 LYS HG2 H 1 1.3570 . . . . . . . . . . . 4649 1 1178 . 1 1 129 129 LYS H H 1 8.0407 . . . . . . . . . . . 4649 1 1179 . 1 1 129 129 LYS N N 15 119.7451 . . . . . . . . . . . 4649 1 1180 . 1 1 130 130 ASP CA C 13 52.3668 . . . . . . . . . . . 4649 1 1181 . 1 1 130 130 ASP CB C 13 41.7432 . . . . . . . . . . . 4649 1 1182 . 1 1 130 130 ASP HA H 1 4.8170 . . . . . . . . . . . 4649 1 1183 . 1 1 130 130 ASP HB2 H 1 2.4280 . . . . . . . . . . . 4649 1 1184 . 1 1 130 130 ASP H H 1 7.8140 . . . . . . . . . . . 4649 1 1185 . 1 1 130 130 ASP N N 15 122.8587 . . . . . . . . . . . 4649 1 1186 . 1 1 131 131 PRO C C 13 178.0178 . . . . . . . . . . . 4649 1 1187 . 1 1 131 131 PRO CA C 13 63.9280 . . . . . . . . . . . 4649 1 1188 . 1 1 131 131 PRO CB C 13 32.1350 . . . . . . . . . . . 4649 1 1189 . 1 1 131 131 PRO CD C 13 51.0280 . . . . . . . . . . . 4649 1 1190 . 1 1 131 131 PRO CG C 13 27.3850 . . . . . . . . . . . 4649 1 1191 . 1 1 131 131 PRO HA H 1 4.3585 . . . . . . . . . . . 4649 1 1192 . 1 1 131 131 PRO HB2 H 1 2.1700 . . . . . . . . . . . 4649 1 1193 . 1 1 131 131 PRO HB3 H 1 1.7720 . . . . . . . . . . . 4649 1 1194 . 1 1 131 131 PRO HD2 H 1 3.7880 . . . . . . . . . . . 4649 1 1195 . 1 1 131 131 PRO HD3 H 1 3.7300 . . . . . . . . . . . 4649 1 1196 . 1 1 132 132 SER C C 13 175.3046 . . . . . . . . . . . 4649 1 1197 . 1 1 132 132 SER CA C 13 59.2296 . . . . . . . . . . . 4649 1 1198 . 1 1 132 132 SER CB C 13 63.6983 . . . . . . . . . . . 4649 1 1199 . 1 1 132 132 SER HA H 1 4.3460 . . . . . . . . . . . 4649 1 1200 . 1 1 132 132 SER HB2 H 1 3.8310 . . . . . . . . . . . 4649 1 1201 . 1 1 132 132 SER HB3 H 1 3.8330 . . . . . . . . . . . 4649 1 1202 . 1 1 132 132 SER H H 1 8.4694 . . . . . . . . . . . 4649 1 1203 . 1 1 132 132 SER N N 15 115.0615 . . . . . . . . . . . 4649 1 1204 . 1 1 133 133 TRP C C 13 175.6995 . . . . . . . . . . . 4649 1 1205 . 1 1 133 133 TRP CA C 13 57.0538 . . . . . . . . . . . 4649 1 1206 . 1 1 133 133 TRP CB C 13 29.8281 . . . . . . . . . . . 4649 1 1207 . 1 1 133 133 TRP HA H 1 4.6760 . . . . . . . . . . . 4649 1 1208 . 1 1 133 133 TRP HB2 H 1 3.3420 . . . . . . . . . . . 4649 1 1209 . 1 1 133 133 TRP HB3 H 1 3.2260 . . . . . . . . . . . 4649 1 1210 . 1 1 133 133 TRP H H 1 7.8456 . . . . . . . . . . . 4649 1 1211 . 1 1 133 133 TRP N N 15 122.8513 . . . . . . . . . . . 4649 1 1212 . 1 1 134 134 ALA CA C 13 54.0486 . . . . . . . . . . . 4649 1 1213 . 1 1 134 134 ALA CB C 13 20.6376 . . . . . . . . . . . 4649 1 1214 . 1 1 134 134 ALA HA H 1 4.1010 . . . . . . . . . . . 4649 1 1215 . 1 1 134 134 ALA HB1 H 1 1.2380 . . . . . . . . . . . 4649 1 1216 . 1 1 134 134 ALA HB2 H 1 1.2380 . . . . . . . . . . . 4649 1 1217 . 1 1 134 134 ALA HB3 H 1 1.2380 . . . . . . . . . . . 4649 1 1218 . 1 1 134 134 ALA H H 1 7.5930 . . . . . . . . . . . 4649 1 1219 . 1 1 134 134 ALA N N 15 130.6308 . . . . . . . . . . . 4649 1 stop_ save_