data_18196 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18196 _Entry.Title ; Backbone assignment for an intracellular proteinase inhibitor of Bacillus Subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-14 _Entry.Accession_date 2012-01-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Qingxin Li . . . 18196 2 'Angela Shuyi' Chen . . . 18196 3 Shovanlal Gayen . . . 18196 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18196 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 18196 '15N chemical shifts' 125 18196 '1H chemical shifts' 560 18196 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 2 . . 2014-02-26 2012-01-14 update BMRB 'update entry citation' 18196 1 . . 2012-05-22 2012-01-14 original author 'original release' 18196 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18196 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22585087 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N chemical shift assignments for an intracellular proteinase inhibitor of Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 129 _Citation.Page_last 132 _Citation.Year 2013 _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 Qingxin Li . . . 18196 1 2 'Angela Shuyi' Chen . . . 18196 1 3 Shovanlal Gayen . . . 18196 1 4 Congbao Kang . . . 18196 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18196 _Assembly.ID 1 _Assembly.Name 'proteinase inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'proteinase inhibitor' 1 $proteinase_inhibitor A . no native no no . . . 18196 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_proteinase_inhibitor _Entity.Sf_category entity _Entity.Sf_framecode proteinase_inhibitor _Entity.Entry_ID 18196 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name proteinase_inhibitor _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 ; MGHHHHHHMENQEVVLSIDA IQEPEQIKFNMSLKNQSERA IEFQFSTGQKFELVVYDSEH KERYRYSKEKMFTQAFQNLT LESGETYDFSDVWKEVPEPG TYEVKVTFKGRAENLKQVQA VQQFEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _Entity.Polymer_author_seq_details 'the first 8 residues was not shown' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3ISY . "Crystal Structure Of An Intracellular Proteinase Inhibitor (ipi, Bsu11130) From Bacillus Subtilis At 2.61 A Resolution" . . . . . 92.91 120 98.31 98.31 2.01e-76 . . . . 18196 1 2 no DBJ BAA03820 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 3 no DBJ BAI84659 . "hypothetical protein BSNT_07545 [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.70 154 99.16 100.00 6.54e-79 . . . . 18196 1 4 no DBJ BAM50030 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis BEST7613]" . . . . . 93.70 151 100.00 100.00 2.92e-79 . . . . 18196 1 5 no DBJ BAM57298 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis BEST7003]" . . . . . 93.70 151 100.00 100.00 2.92e-79 . . . . 18196 1 6 no DBJ GAK79757 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis Miyagi-4]" . . . . . 93.70 151 99.16 100.00 7.62e-79 . . . . 18196 1 7 no EMBL CAA70631 . "Ipi [Bacillus subtilis]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 8 no EMBL CAB01835 . "BsuPI [Bacillus subtilis]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 9 no EMBL CAB12953 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 10 no EMBL CCU57578 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis E1]" . . . . . 93.70 151 99.16 100.00 7.62e-79 . . . . 18196 1 11 no EMBL CEI56247 . "intracellular proteinase inhibitor [Bacillus subtilis]" . . . . . 93.70 151 100.00 100.00 2.92e-79 . . . . 18196 1 12 no GB ADV96100 . "intracellular proteinase inhibitor BsuPI [Bacillus subtilis BSn5]" . . . . . 93.70 151 100.00 100.00 2.92e-79 . . . . 18196 1 13 no GB AFQ57029 . "Intracellular proteinase inhibitor BsuPI [Bacillus subtilis QB928]" . . . . . 93.70 154 100.00 100.00 2.17e-79 . . . . 18196 1 14 no GB AGA21547 . "Intracellular proteinase inhibitor [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 93.70 119 99.16 100.00 4.23e-79 . . . . 18196 1 15 no GB AGE62965 . "intracellular proteinase inhibitor [Bacillus subtilis XF-1]" . . . . . 93.70 154 98.32 100.00 2.50e-78 . . . . 18196 1 16 no GB AGG60464 . "intracellular proteinase inhibitor Ipi [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 17 no REF NP_388994 . "intracellular proteinase inhibitor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 18 no REF WP_003244660 . "MULTISPECIES: proteinase inhibitor [Bacillus]" . . . . . 93.70 151 100.00 100.00 2.92e-79 . . . . 18196 1 19 no REF WP_010886475 . "intracellular proteinase inhibitor [Bacillus subtilis]" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 1 20 no REF WP_014479419 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 93.70 151 99.16 100.00 7.62e-79 . . . . 18196 1 21 no REF WP_015483077 . "intracellular proteinase inhibitor [Bacillus subtilis]" . . . . . 93.70 151 98.32 100.00 2.17e-78 . . . . 18196 1 22 no SP P39804 . "RecName: Full=Intracellular proteinase inhibitor; AltName: Full=BsuPI" . . . . . 93.70 119 100.00 100.00 1.52e-79 . . . . 18196 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 -7 MET . 18196 1 2 -6 GLY . 18196 1 3 -5 HIS . 18196 1 4 -4 HIS . 18196 1 5 -3 HIS . 18196 1 6 -2 HIS . 18196 1 7 -1 HIS . 18196 1 8 0 HIS . 18196 1 9 1 MET . 18196 1 10 2 GLU . 18196 1 11 3 ASN . 18196 1 12 4 GLN . 18196 1 13 5 GLU . 18196 1 14 6 VAL . 18196 1 15 7 VAL . 18196 1 16 8 LEU . 18196 1 17 9 SER . 18196 1 18 10 ILE . 18196 1 19 11 ASP . 18196 1 20 12 ALA . 18196 1 21 13 ILE . 18196 1 22 14 GLN . 18196 1 23 15 GLU . 18196 1 24 16 PRO . 18196 1 25 17 GLU . 18196 1 26 18 GLN . 18196 1 27 19 ILE . 18196 1 28 20 LYS . 18196 1 29 21 PHE . 18196 1 30 22 ASN . 18196 1 31 23 MET . 18196 1 32 24 SER . 18196 1 33 25 LEU . 18196 1 34 26 LYS . 18196 1 35 27 ASN . 18196 1 36 28 GLN . 18196 1 37 29 SER . 18196 1 38 30 GLU . 18196 1 39 31 ARG . 18196 1 40 32 ALA . 18196 1 41 33 ILE . 18196 1 42 34 GLU . 18196 1 43 35 PHE . 18196 1 44 36 GLN . 18196 1 45 37 PHE . 18196 1 46 38 SER . 18196 1 47 39 THR . 18196 1 48 40 GLY . 18196 1 49 41 GLN . 18196 1 50 42 LYS . 18196 1 51 43 PHE . 18196 1 52 44 GLU . 18196 1 53 45 LEU . 18196 1 54 46 VAL . 18196 1 55 47 VAL . 18196 1 56 48 TYR . 18196 1 57 49 ASP . 18196 1 58 50 SER . 18196 1 59 51 GLU . 18196 1 60 52 HIS . 18196 1 61 53 LYS . 18196 1 62 54 GLU . 18196 1 63 55 ARG . 18196 1 64 56 TYR . 18196 1 65 57 ARG . 18196 1 66 58 TYR . 18196 1 67 59 SER . 18196 1 68 60 LYS . 18196 1 69 61 GLU . 18196 1 70 62 LYS . 18196 1 71 63 MET . 18196 1 72 64 PHE . 18196 1 73 65 THR . 18196 1 74 66 GLN . 18196 1 75 67 ALA . 18196 1 76 68 PHE . 18196 1 77 69 GLN . 18196 1 78 70 ASN . 18196 1 79 71 LEU . 18196 1 80 72 THR . 18196 1 81 73 LEU . 18196 1 82 74 GLU . 18196 1 83 75 SER . 18196 1 84 76 GLY . 18196 1 85 77 GLU . 18196 1 86 78 THR . 18196 1 87 79 TYR . 18196 1 88 80 ASP . 18196 1 89 81 PHE . 18196 1 90 82 SER . 18196 1 91 83 ASP . 18196 1 92 84 VAL . 18196 1 93 85 TRP . 18196 1 94 86 LYS . 18196 1 95 87 GLU . 18196 1 96 88 VAL . 18196 1 97 89 PRO . 18196 1 98 90 GLU . 18196 1 99 91 PRO . 18196 1 100 92 GLY . 18196 1 101 93 THR . 18196 1 102 94 TYR . 18196 1 103 95 GLU . 18196 1 104 96 VAL . 18196 1 105 97 LYS . 18196 1 106 98 VAL . 18196 1 107 99 THR . 18196 1 108 100 PHE . 18196 1 109 101 LYS . 18196 1 110 102 GLY . 18196 1 111 103 ARG . 18196 1 112 104 ALA . 18196 1 113 105 GLU . 18196 1 114 106 ASN . 18196 1 115 107 LEU . 18196 1 116 108 LYS . 18196 1 117 109 GLN . 18196 1 118 110 VAL . 18196 1 119 111 GLN . 18196 1 120 112 ALA . 18196 1 121 113 VAL . 18196 1 122 114 GLN . 18196 1 123 115 GLN . 18196 1 124 116 PHE . 18196 1 125 117 GLU . 18196 1 126 118 VAL . 18196 1 127 119 LYS . 18196 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18196 1 . GLY 2 2 18196 1 . HIS 3 3 18196 1 . HIS 4 4 18196 1 . HIS 5 5 18196 1 . HIS 6 6 18196 1 . HIS 7 7 18196 1 . HIS 8 8 18196 1 . MET 9 9 18196 1 . GLU 10 10 18196 1 . ASN 11 11 18196 1 . GLN 12 12 18196 1 . GLU 13 13 18196 1 . VAL 14 14 18196 1 . VAL 15 15 18196 1 . LEU 16 16 18196 1 . SER 17 17 18196 1 . ILE 18 18 18196 1 . ASP 19 19 18196 1 . ALA 20 20 18196 1 . ILE 21 21 18196 1 . GLN 22 22 18196 1 . GLU 23 23 18196 1 . PRO 24 24 18196 1 . GLU 25 25 18196 1 . GLN 26 26 18196 1 . ILE 27 27 18196 1 . LYS 28 28 18196 1 . PHE 29 29 18196 1 . ASN 30 30 18196 1 . MET 31 31 18196 1 . SER 32 32 18196 1 . LEU 33 33 18196 1 . LYS 34 34 18196 1 . ASN 35 35 18196 1 . GLN 36 36 18196 1 . SER 37 37 18196 1 . GLU 38 38 18196 1 . ARG 39 39 18196 1 . ALA 40 40 18196 1 . ILE 41 41 18196 1 . GLU 42 42 18196 1 . PHE 43 43 18196 1 . GLN 44 44 18196 1 . PHE 45 45 18196 1 . SER 46 46 18196 1 . THR 47 47 18196 1 . GLY 48 48 18196 1 . GLN 49 49 18196 1 . LYS 50 50 18196 1 . PHE 51 51 18196 1 . GLU 52 52 18196 1 . LEU 53 53 18196 1 . VAL 54 54 18196 1 . VAL 55 55 18196 1 . TYR 56 56 18196 1 . ASP 57 57 18196 1 . SER 58 58 18196 1 . GLU 59 59 18196 1 . HIS 60 60 18196 1 . LYS 61 61 18196 1 . GLU 62 62 18196 1 . ARG 63 63 18196 1 . TYR 64 64 18196 1 . ARG 65 65 18196 1 . TYR 66 66 18196 1 . SER 67 67 18196 1 . LYS 68 68 18196 1 . GLU 69 69 18196 1 . LYS 70 70 18196 1 . MET 71 71 18196 1 . PHE 72 72 18196 1 . THR 73 73 18196 1 . GLN 74 74 18196 1 . ALA 75 75 18196 1 . PHE 76 76 18196 1 . GLN 77 77 18196 1 . ASN 78 78 18196 1 . LEU 79 79 18196 1 . THR 80 80 18196 1 . LEU 81 81 18196 1 . GLU 82 82 18196 1 . SER 83 83 18196 1 . GLY 84 84 18196 1 . GLU 85 85 18196 1 . THR 86 86 18196 1 . TYR 87 87 18196 1 . ASP 88 88 18196 1 . PHE 89 89 18196 1 . SER 90 90 18196 1 . ASP 91 91 18196 1 . VAL 92 92 18196 1 . TRP 93 93 18196 1 . LYS 94 94 18196 1 . GLU 95 95 18196 1 . VAL 96 96 18196 1 . PRO 97 97 18196 1 . GLU 98 98 18196 1 . PRO 99 99 18196 1 . GLY 100 100 18196 1 . THR 101 101 18196 1 . TYR 102 102 18196 1 . GLU 103 103 18196 1 . VAL 104 104 18196 1 . LYS 105 105 18196 1 . VAL 106 106 18196 1 . THR 107 107 18196 1 . PHE 108 108 18196 1 . LYS 109 109 18196 1 . GLY 110 110 18196 1 . ARG 111 111 18196 1 . ALA 112 112 18196 1 . GLU 113 113 18196 1 . ASN 114 114 18196 1 . LEU 115 115 18196 1 . LYS 116 116 18196 1 . GLN 117 117 18196 1 . VAL 118 118 18196 1 . GLN 119 119 18196 1 . ALA 120 120 18196 1 . VAL 121 121 18196 1 . GLN 122 122 18196 1 . GLN 123 123 18196 1 . PHE 124 124 18196 1 . GLU 125 125 18196 1 . VAL 126 126 18196 1 . LYS 127 127 18196 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 18196 _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 $proteinase_inhibitor . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 18196 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 18196 _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 $proteinase_inhibitor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET29B . . . . . . 18196 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18196 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'proteinase inhibitor' '[U-100% 13C; U-100% 15N]' . . 1 $proteinase_inhibitor . . . 0.8 1 mM 0.05 . . . 18196 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18196 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18196 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18196 1 5 NaPO4 'natural abundance' . . . . . . 20 . . mM . . . . 18196 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18196 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18196 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'proteinase inhibitor' 'natural abundance' . . 1 $proteinase_inhibitor . . 1 . . mM . . . . 18196 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18196 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18196 2 4 NaPO4 'natural abundance' . . . . . . 20 . . mM . . . . 18196 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18196 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18196 _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 'ionic strength' 150 . mM 18196 1 pH 6.5 . pH 18196 1 pressure 1 . atm 18196 1 temperature 298 . K 18196 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18196 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18196 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18196 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18196 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18196 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18196 2 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 18196 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18196 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18196 _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 Avance . 700 . . . 18196 1 2 spectrometer_2 Bruker Avance . 600 . . . 18196 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 18196 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18196 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18196 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18196 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18196 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 18196 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18196 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 18196 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18196 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18196 1 5 '3D C(CO)NH' . . . 18196 1 6 '3D H(CCO)NH' . . . 18196 1 9 '3D HNCACB' . . . 18196 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 9 9 MET HA H 1 4.440 0.05 . 1 . . . . 1 M HA . 18196 1 2 . 1 1 9 9 MET HB2 H 1 1.987 0.05 . 2 . . . . 1 M HB1 . 18196 1 3 . 1 1 9 9 MET C C 13 176.025 0.3 . 1 . . . . 1 M C . 18196 1 4 . 1 1 9 9 MET CA C 13 55.410 0.3 . 1 . . . . 1 M CA . 18196 1 5 . 1 1 9 9 MET CB C 13 32.848 0.3 . 1 . . . . 1 M CB . 18196 1 6 . 1 1 9 9 MET N N 15 122.141 0.2 . 1 . . . . 1 M N . 18196 1 7 . 1 1 10 10 GLU H H 1 9.456 0.05 . 1 . . . . 2 E HN . 18196 1 8 . 1 1 10 10 GLU HA H 1 4.260 0.05 . 1 . . . . 2 E HA . 18196 1 9 . 1 1 10 10 GLU HB2 H 1 1.983 0.05 . 2 . . . . 2 E HB1 . 18196 1 10 . 1 1 10 10 GLU HG2 H 1 2.448 0.05 . 2 . . . . 2 E HG1 . 18196 1 11 . 1 1 10 10 GLU C C 13 176.163 0.3 . 1 . . . . 2 E C . 18196 1 12 . 1 1 10 10 GLU CA C 13 56.812 0.3 . 1 . . . . 2 E CA . 18196 1 13 . 1 1 10 10 GLU CB C 13 30.227 0.3 . 1 . . . . 2 E CB . 18196 1 14 . 1 1 10 10 GLU CG C 13 36.441 0.3 . 1 . . . . 2 E CG . 18196 1 15 . 1 1 10 10 GLU N N 15 117.449 0.2 . 1 . . . . 2 E N . 18196 1 16 . 1 1 11 11 ASN H H 1 8.570 0.05 . 1 . . . . 3 N HN . 18196 1 17 . 1 1 11 11 ASN HA H 1 4.681 0.05 . 1 . . . . 3 N HA . 18196 1 18 . 1 1 11 11 ASN HB2 H 1 2.823 0.05 . 2 . . . . 3 N HB1 . 18196 1 19 . 1 1 11 11 ASN HD21 H 1 7.665 0.05 . 2 . . . . 3 N HD21 . 18196 1 20 . 1 1 11 11 ASN HD22 H 1 6.934 0.05 . 2 . . . . 3 N HD22 . 18196 1 21 . 1 1 11 11 ASN C C 13 174.992 0.3 . 1 . . . . 3 N C . 18196 1 22 . 1 1 11 11 ASN CA C 13 53.519 0.3 . 1 . . . . 3 N CA . 18196 1 23 . 1 1 11 11 ASN CB C 13 38.804 0.3 . 1 . . . . 3 N CB . 18196 1 24 . 1 1 11 11 ASN CG C 13 177.014 0.3 . 1 . . . . 3 N CG . 18196 1 25 . 1 1 11 11 ASN N N 15 119.169 0.2 . 1 . . . . 3 N N . 18196 1 26 . 1 1 11 11 ASN ND2 N 15 113.158 0.2 . 1 . . . . 3 N ND2 . 18196 1 27 . 1 1 12 12 GLN H H 1 8.321 0.05 . 1 . . . . 4 Q HN . 18196 1 28 . 1 1 12 12 GLN HA H 1 4.400 0.05 . 1 . . . . 4 Q HA . 18196 1 29 . 1 1 12 12 GLN HB2 H 1 1.903 0.05 . 2 . . . . 4 Q HB2 . 18196 1 30 . 1 1 12 12 GLN HG2 H 1 2.319 0.05 . 2 . . . . 4 Q HG1 . 18196 1 31 . 1 1 12 12 GLN HE21 H 1 7.595 0.05 . 2 . . . . 4 Q HE21 . 18196 1 32 . 1 1 12 12 GLN HE22 H 1 6.926 0.05 . 2 . . . . 4 Q HE22 . 18196 1 33 . 1 1 12 12 GLN C C 13 175.783 0.3 . 1 . . . . 4 Q C . 18196 1 34 . 1 1 12 12 GLN CA C 13 55.589 0.3 . 1 . . . . 4 Q CA . 18196 1 35 . 1 1 12 12 GLN CB C 13 29.740 0.3 . 1 . . . . 4 Q CB . 18196 1 36 . 1 1 12 12 GLN CG C 13 34.436 0.3 . 1 . . . . 4 Q CG . 18196 1 37 . 1 1 12 12 GLN CD C 13 180.308 0.3 . 1 . . . . 4 Q CD . 18196 1 38 . 1 1 12 12 GLN N N 15 120.205 0.2 . 1 . . . . 4 Q N . 18196 1 39 . 1 1 12 12 GLN NE2 N 15 112.762 0.2 . 1 . . . . 4 Q NE2 . 18196 1 40 . 1 1 13 13 GLU H H 1 8.825 0.05 . 1 . . . . 5 E HN . 18196 1 41 . 1 1 13 13 GLU HA H 1 4.034 0.05 . 1 . . . . 5 E HA . 18196 1 42 . 1 1 13 13 GLU HB2 H 1 1.993 0.05 . 2 . . . . 5 E HB1 . 18196 1 43 . 1 1 13 13 GLU HG2 H 1 2.321 0.05 . 2 . . . . 5 E HG1 . 18196 1 44 . 1 1 13 13 GLU HG3 H 1 2.206 0.05 . 2 . . . . 5 E HG2 . 18196 1 45 . 1 1 13 13 GLU C C 13 175.115 0.3 . 1 . . . . 5 E C . 18196 1 46 . 1 1 13 13 GLU CA C 13 59.459 0.3 . 1 . . . . 5 E CA . 18196 1 47 . 1 1 13 13 GLU CB C 13 30.962 0.3 . 1 . . . . 5 E CB . 18196 1 48 . 1 1 13 13 GLU CG C 13 37.766 0.3 . 1 . . . . 5 E CG . 18196 1 49 . 1 1 13 13 GLU N N 15 121.622 0.2 . 1 . . . . 5 E N . 18196 1 50 . 1 1 14 14 VAL H H 1 7.533 0.05 . 1 . . . . 6 V HN . 18196 1 51 . 1 1 14 14 VAL HA H 1 5.209 0.05 . 1 . . . . 6 V HA . 18196 1 52 . 1 1 14 14 VAL HB H 1 1.915 0.05 . 1 . . . . 6 V HB . 18196 1 53 . 1 1 14 14 VAL HG21 H 1 0.841 0.05 . 2 . . . . 6 V HG21 . 18196 1 54 . 1 1 14 14 VAL HG22 H 1 0.841 0.05 . 2 . . . . 6 V HG21 . 18196 1 55 . 1 1 14 14 VAL HG23 H 1 0.841 0.05 . 2 . . . . 6 V HG21 . 18196 1 56 . 1 1 14 14 VAL C C 13 174.760 0.3 . 1 . . . . 6 V C . 18196 1 57 . 1 1 14 14 VAL CA C 13 59.597 0.3 . 1 . . . . 6 V CA . 18196 1 58 . 1 1 14 14 VAL CB C 13 34.374 0.3 . 1 . . . . 6 V CB . 18196 1 59 . 1 1 14 14 VAL CG2 C 13 21.988 0.3 . 2 . . . . 6 V CG2 . 18196 1 60 . 1 1 14 14 VAL N N 15 113.648 0.2 . 1 . . . . 6 V N . 18196 1 61 . 1 1 15 15 VAL H H 1 8.369 0.05 . 1 . . . . 7 V HN . 18196 1 62 . 1 1 15 15 VAL HA H 1 4.410 0.05 . 1 . . . . 7 V HA . 18196 1 63 . 1 1 15 15 VAL HB H 1 1.869 0.05 . 1 . . . . 7 V HB . 18196 1 64 . 1 1 15 15 VAL HG21 H 1 0.792 0.05 . 2 . . . . 7 V HG21 . 18196 1 65 . 1 1 15 15 VAL HG22 H 1 0.792 0.05 . 2 . . . . 7 V HG21 . 18196 1 66 . 1 1 15 15 VAL HG23 H 1 0.792 0.05 . 2 . . . . 7 V HG21 . 18196 1 67 . 1 1 15 15 VAL C C 13 173.545 0.3 . 1 . . . . 7 V C . 18196 1 68 . 1 1 15 15 VAL CA C 13 60.307 0.3 . 1 . . . . 7 V CA . 18196 1 69 . 1 1 15 15 VAL CB C 13 35.773 0.3 . 1 . . . . 7 V CB . 18196 1 70 . 1 1 15 15 VAL N N 15 121.232 0.2 . 1 . . . . 7 V N . 18196 1 71 . 1 1 16 16 LEU H H 1 8.688 0.05 . 1 . . . . 8 L HN . 18196 1 72 . 1 1 16 16 LEU HA H 1 5.266 0.05 . 1 . . . . 8 L HA . 18196 1 73 . 1 1 16 16 LEU HB2 H 1 1.640 0.05 . 2 . . . . 8 L HB1 . 18196 1 74 . 1 1 16 16 LEU HB3 H 1 0.999 0.05 . 2 . . . . 8 L HB2 . 18196 1 75 . 1 1 16 16 LEU HG H 1 1.034 0.05 . 1 . . . . 8 L HG . 18196 1 76 . 1 1 16 16 LEU HD11 H 1 0.664 0.05 . 2 . . . . 8 L HD11 . 18196 1 77 . 1 1 16 16 LEU HD12 H 1 0.664 0.05 . 2 . . . . 8 L HD11 . 18196 1 78 . 1 1 16 16 LEU HD13 H 1 0.664 0.05 . 2 . . . . 8 L HD11 . 18196 1 79 . 1 1 16 16 LEU C C 13 173.840 0.3 . 1 . . . . 8 L C . 18196 1 80 . 1 1 16 16 LEU CA C 13 53.092 0.3 . 1 . . . . 8 L CA . 18196 1 81 . 1 1 16 16 LEU CB C 13 44.846 0.3 . 1 . . . . 8 L CB . 18196 1 82 . 1 1 16 16 LEU CG C 13 27.117 0.3 . 1 . . . . 8 L CG . 18196 1 83 . 1 1 16 16 LEU CD2 C 13 24.650 0.3 . 1 . . . . 8 L CD2 . 18196 1 84 . 1 1 16 16 LEU N N 15 129.429 0.2 . 1 . . . . 8 L N . 18196 1 85 . 1 1 17 17 SER H H 1 8.763 0.05 . 1 . . . . 9 S HN . 18196 1 86 . 1 1 17 17 SER HA H 1 4.685 0.05 . 1 . . . . 9 S HA . 18196 1 87 . 1 1 17 17 SER HB2 H 1 3.699 0.05 . 2 . . . . 9 S HB1 . 18196 1 88 . 1 1 17 17 SER C C 13 172.752 0.3 . 1 . . . . 9 S C . 18196 1 89 . 1 1 17 17 SER CA C 13 55.982 0.3 . 1 . . . . 9 S CA . 18196 1 90 . 1 1 17 17 SER CB C 13 65.589 0.3 . 1 . . . . 9 S CB . 18196 1 91 . 1 1 17 17 SER N N 15 120.993 0.2 . 1 . . . . 9 S N . 18196 1 92 . 1 1 18 18 ILE H H 1 8.601 0.05 . 1 . . . . 10 I HN . 18196 1 93 . 1 1 18 18 ILE HA H 1 4.219 0.05 . 1 . . . . 10 I HA . 18196 1 94 . 1 1 18 18 ILE HB H 1 1.423 0.05 . 1 . . . . 10 I HB . 18196 1 95 . 1 1 18 18 ILE HG12 H 1 1.322 0.05 . 9 . . . . 10 I HG12 . 18196 1 96 . 1 1 18 18 ILE C C 13 173.632 0.3 . 1 . . . . 10 I C . 18196 1 97 . 1 1 18 18 ILE CA C 13 60.867 0.3 . 1 . . . . 10 I CA . 18196 1 98 . 1 1 18 18 ILE CB C 13 42.322 0.3 . 1 . . . . 10 I CB . 18196 1 99 . 1 1 18 18 ILE CG1 C 13 26.977 0.3 . 1 . . . . 10 I CG1 . 18196 1 100 . 1 1 18 18 ILE CG2 C 13 17.192 0.3 . 1 . . . . 10 I CG2 . 18196 1 101 . 1 1 18 18 ILE N N 15 121.185 0.2 . 1 . . . . 10 I N . 18196 1 102 . 1 1 19 19 ASP H H 1 8.821 0.05 . 1 . . . . 11 D HN . 18196 1 103 . 1 1 19 19 ASP HA H 1 4.954 0.05 . 1 . . . . 11 D HA . 18196 1 104 . 1 1 19 19 ASP HB2 H 1 2.485 0.05 . 2 . . . . 11 D HB1 . 18196 1 105 . 1 1 19 19 ASP C C 13 173.782 0.3 . 1 . . . . 11 D C . 18196 1 106 . 1 1 19 19 ASP CA C 13 52.842 0.3 . 1 . . . . 11 D CA . 18196 1 107 . 1 1 19 19 ASP CB C 13 43.451 0.3 . 1 . . . . 11 D CB . 18196 1 108 . 1 1 19 19 ASP N N 15 126.969 0.2 . 1 . . . . 11 D N . 18196 1 109 . 1 1 20 20 ALA H H 1 8.512 0.05 . 1 . . . . 12 A HN . 18196 1 110 . 1 1 20 20 ALA HA H 1 4.794 0.05 . 1 . . . . 12 A HA . 18196 1 111 . 1 1 20 20 ALA HB1 H 1 0.528 0.05 . 1 . . . . 12 A HB1 . 18196 1 112 . 1 1 20 20 ALA HB2 H 1 0.528 0.05 . 1 . . . . 12 A HB1 . 18196 1 113 . 1 1 20 20 ALA HB3 H 1 0.528 0.05 . 1 . . . . 12 A HB1 . 18196 1 114 . 1 1 20 20 ALA C C 13 175.790 0.3 . 1 . . . . 12 A C . 18196 1 115 . 1 1 20 20 ALA CA C 13 50.200 0.3 . 1 . . . . 12 A CA . 18196 1 116 . 1 1 20 20 ALA CB C 13 20.248 0.3 . 1 . . . . 12 A CB . 18196 1 117 . 1 1 20 20 ALA N N 15 127.277 0.2 . 1 . . . . 12 A N . 18196 1 118 . 1 1 21 21 ILE H H 1 9.150 0.05 . 1 . . . . 13 I HN . 18196 1 119 . 1 1 21 21 ILE HA H 1 4.115 0.05 . 1 . . . . 13 I HA . 18196 1 120 . 1 1 21 21 ILE HB H 1 1.617 0.05 . 1 . . . . 13 I HB . 18196 1 121 . 1 1 21 21 ILE HD11 H 1 0.679 0.05 . 1 . . . . 13 I HD11 . 18196 1 122 . 1 1 21 21 ILE HD12 H 1 0.679 0.05 . 1 . . . . 13 I HD11 . 18196 1 123 . 1 1 21 21 ILE HD13 H 1 0.679 0.05 . 1 . . . . 13 I HD11 . 18196 1 124 . 1 1 21 21 ILE C C 13 174.951 0.3 . 1 . . . . 13 I C . 18196 1 125 . 1 1 21 21 ILE CA C 13 59.965 0.3 . 1 . . . . 13 I CA . 18196 1 126 . 1 1 21 21 ILE CB C 13 41.013 0.3 . 1 . . . . 13 I CB . 18196 1 127 . 1 1 21 21 ILE CG1 C 13 27.332 0.3 . 1 . . . . 13 I CG1 . 18196 1 128 . 1 1 21 21 ILE CG2 C 13 18.206 0.3 . 1 . . . . 13 I CG2 . 18196 1 129 . 1 1 21 21 ILE CD1 C 13 14.037 0.3 . 1 . . . . 13 I CD1 . 18196 1 130 . 1 1 21 21 ILE N N 15 124.726 0.2 . 1 . . . . 13 I N . 18196 1 131 . 1 1 22 22 GLN H H 1 8.878 0.05 . 1 . . . . 14 Q HN . 18196 1 132 . 1 1 22 22 GLN HA H 1 4.283 0.05 . 1 . . . . 14 Q HA . 18196 1 133 . 1 1 22 22 GLN HB2 H 1 2.051 0.05 . 2 . . . . 14 Q HB1 . 18196 1 134 . 1 1 22 22 GLN HB3 H 1 1.950 0.05 . 2 . . . . 14 Q HB2 . 18196 1 135 . 1 1 22 22 GLN HG2 H 1 2.178 0.05 . 2 . . . . 14 Q HG1 . 18196 1 136 . 1 1 22 22 GLN HE21 H 1 7.894 0.05 . 2 . . . . 14 Q HE21 . 18196 1 137 . 1 1 22 22 GLN HE22 H 1 6.417 0.05 . 2 . . . . 14 Q HE22 . 18196 1 138 . 1 1 22 22 GLN C C 13 174.396 0.3 . 1 . . . . 14 Q C . 18196 1 139 . 1 1 22 22 GLN CA C 13 56.356 0.3 . 1 . . . . 14 Q CA . 18196 1 140 . 1 1 22 22 GLN CB C 13 27.581 0.3 . 1 . . . . 14 Q CB . 18196 1 141 . 1 1 22 22 GLN CG C 13 32.771 0.3 . 1 . . . . 14 Q CG . 18196 1 142 . 1 1 22 22 GLN CD C 13 178.897 0.3 . 1 . . . . 14 Q CD . 18196 1 143 . 1 1 22 22 GLN N N 15 128.126 0.2 . 1 . . . . 14 Q N . 18196 1 144 . 1 1 22 22 GLN NE2 N 15 111.389 0.2 . 1 . . . . 14 Q NE2 . 18196 1 145 . 1 1 23 23 GLU H H 1 8.641 0.05 . 1 . . . . 15 E HN . 18196 1 146 . 1 1 23 23 GLU HA H 1 4.679 0.05 . 1 . . . . 15 E HA . 18196 1 147 . 1 1 23 23 GLU HB2 H 1 2.150 0.05 . 2 . . . . 15 E HB1 . 18196 1 148 . 1 1 23 23 GLU HB3 H 1 1.869 0.05 . 2 . . . . 15 E HB2 . 18196 1 149 . 1 1 23 23 GLU C C 13 174.341 0.3 . 1 . . . . 15 E C . 18196 1 150 . 1 1 23 23 GLU CA C 13 54.816 0.3 . 1 . . . . 15 E CA . 18196 1 151 . 1 1 23 23 GLU CB C 13 29.211 0.3 . 1 . . . . 15 E CB . 18196 1 152 . 1 1 23 23 GLU N N 15 130.660 0.2 . 1 . . . . 15 E N . 18196 1 153 . 1 1 24 24 PRO HA H 1 4.113 0.05 . 1 . . . . 16 P HA . 18196 1 154 . 1 1 24 24 PRO HB2 H 1 2.292 0.05 . 2 . . . . 16 P HB1 . 18196 1 155 . 1 1 24 24 PRO HB3 H 1 1.782 0.05 . 2 . . . . 16 P HB2 . 18196 1 156 . 1 1 24 24 PRO HG2 H 1 1.802 0.05 . 2 . . . . 16 P HG1 . 18196 1 157 . 1 1 24 24 PRO HD2 H 1 3.678 0.05 . 2 . . . . 16 P HD2 . 18196 1 158 . 1 1 24 24 PRO C C 13 177.516 0.3 . 1 . . . . 16 P C . 18196 1 159 . 1 1 24 24 PRO CA C 13 66.540 0.3 . 1 . . . . 16 P CA . 18196 1 160 . 1 1 24 24 PRO CB C 13 31.851 0.3 . 1 . . . . 16 P CB . 18196 1 161 . 1 1 24 24 PRO CG C 13 28.377 0.3 . 1 . . . . 16 P CG . 18196 1 162 . 1 1 24 24 PRO CD C 13 50.607 0.3 . 1 . . . . 16 P CD . 18196 1 163 . 1 1 25 25 GLU H H 1 8.200 0.05 . 1 . . . . 17 E HN . 18196 1 164 . 1 1 25 25 GLU HA H 1 4.331 0.05 . 1 . . . . 17 E HA . 18196 1 165 . 1 1 25 25 GLU HB2 H 1 2.132 0.05 . 2 . . . . 17 E HB1 . 18196 1 166 . 1 1 25 25 GLU HB3 H 1 1.710 0.05 . 2 . . . . 17 E HB2 . 18196 1 167 . 1 1 25 25 GLU HG2 H 1 1.991 0.05 . 2 . . . . 17 E HG1 . 18196 1 168 . 1 1 25 25 GLU C C 13 174.886 0.3 . 1 . . . . 17 E C . 18196 1 169 . 1 1 25 25 GLU CA C 13 54.985 0.3 . 1 . . . . 17 E CA . 18196 1 170 . 1 1 25 25 GLU CB C 13 30.838 0.3 . 1 . . . . 17 E CB . 18196 1 171 . 1 1 25 25 GLU CG C 13 36.622 0.3 . 1 . . . . 17 E CG . 18196 1 172 . 1 1 25 25 GLU N N 15 110.083 0.2 . 1 . . . . 17 E N . 18196 1 173 . 1 1 26 26 GLN H H 1 6.989 0.05 . 1 . . . . 18 Q HN . 18196 1 174 . 1 1 26 26 GLN HA H 1 4.464 0.05 . 1 . . . . 18 Q HA . 18196 1 175 . 1 1 26 26 GLN HB2 H 1 1.383 0.05 . 2 . . . . 18 Q HB1 . 18196 1 176 . 1 1 26 26 GLN HG2 H 1 1.611 0.05 . 2 . . . . 18 Q HG1 . 18196 1 177 . 1 1 26 26 GLN C C 13 172.178 0.3 . 1 . . . . 18 Q C . 18196 1 178 . 1 1 26 26 GLN CA C 13 54.048 0.3 . 1 . . . . 18 Q CA . 18196 1 179 . 1 1 26 26 GLN CB C 13 29.785 0.3 . 1 . . . . 18 Q CB . 18196 1 180 . 1 1 26 26 GLN CG C 13 30.822 0.3 . 1 . . . . 18 Q CG . 18196 1 181 . 1 1 26 26 GLN N N 15 112.742 0.2 . 1 . . . . 18 Q N . 18196 1 182 . 1 1 27 27 ILE H H 1 8.528 0.05 . 1 . . . . 19 I HN . 18196 1 183 . 1 1 27 27 ILE HA H 1 4.457 0.05 . 1 . . . . 19 I HA . 18196 1 184 . 1 1 27 27 ILE HB H 1 1.841 0.05 . 1 . . . . 19 I HB . 18196 1 185 . 1 1 27 27 ILE HG12 H 1 1.148 0.05 . 9 . . . . 19 I HG11 . 18196 1 186 . 1 1 27 27 ILE HG21 H 1 0.633 0.05 . 1 . . . . 19 I HG21 . 18196 1 187 . 1 1 27 27 ILE HG22 H 1 0.633 0.05 . 1 . . . . 19 I HG21 . 18196 1 188 . 1 1 27 27 ILE HG23 H 1 0.633 0.05 . 1 . . . . 19 I HG21 . 18196 1 189 . 1 1 27 27 ILE HD11 H 1 -0.141 0.05 . 1 . . . . 19 I HD11 . 18196 1 190 . 1 1 27 27 ILE HD12 H 1 -0.141 0.05 . 1 . . . . 19 I HD11 . 18196 1 191 . 1 1 27 27 ILE HD13 H 1 -0.141 0.05 . 1 . . . . 19 I HD11 . 18196 1 192 . 1 1 27 27 ILE C C 13 173.551 0.3 . 1 . . . . 19 I C . 18196 1 193 . 1 1 27 27 ILE CA C 13 58.407 0.3 . 1 . . . . 19 I CA . 18196 1 194 . 1 1 27 27 ILE CB C 13 37.686 0.3 . 1 . . . . 19 I CB . 18196 1 195 . 1 1 27 27 ILE CG1 C 13 27.448 0.3 . 1 . . . . 19 I CG1 . 18196 1 196 . 1 1 27 27 ILE CG2 C 13 17.656 0.3 . 1 . . . . 19 I CG2 . 18196 1 197 . 1 1 27 27 ILE CD1 C 13 12.444 0.3 . 1 . . . . 19 I CD1 . 18196 1 198 . 1 1 27 27 ILE N N 15 118.520 0.2 . 1 . . . . 19 I N . 18196 1 199 . 1 1 28 28 LYS H H 1 8.745 0.05 . 1 . . . . 20 K HN . 18196 1 200 . 1 1 28 28 LYS HA H 1 4.440 0.05 . 1 . . . . 20 K HA . 18196 1 201 . 1 1 28 28 LYS HB2 H 1 1.590 0.05 . 2 . . . . 20 K HB1 . 18196 1 202 . 1 1 28 28 LYS HB3 H 1 1.318 0.05 . 2 . . . . 20 K HB2 . 18196 1 203 . 1 1 28 28 LYS HG2 H 1 1.047 0.05 . 2 . . . . 20 K HG1 . 18196 1 204 . 1 1 28 28 LYS HE2 H 1 2.740 0.05 . 2 . . . . 20 K HE1 . 18196 1 205 . 1 1 28 28 LYS C C 13 173.182 0.3 . 1 . . . . 20 K C . 18196 1 206 . 1 1 28 28 LYS CA C 13 54.392 0.3 . 1 . . . . 20 K CA . 18196 1 207 . 1 1 28 28 LYS CB C 13 34.778 0.3 . 1 . . . . 20 K CB . 18196 1 208 . 1 1 28 28 LYS CG C 13 24.749 0.3 . 1 . . . . 20 K CG . 18196 1 209 . 1 1 28 28 LYS CD C 13 29.635 0.3 . 1 . . . . 20 K CD . 18196 1 210 . 1 1 28 28 LYS CE C 13 41.984 0.3 . 1 . . . . 20 K CE . 18196 1 211 . 1 1 28 28 LYS N N 15 127.472 0.2 . 1 . . . . 20 K N . 18196 1 212 . 1 1 29 29 PHE H H 1 8.774 0.05 . 1 . . . . 21 F HN . 18196 1 213 . 1 1 29 29 PHE HA H 1 5.100 0.05 . 1 . . . . 21 F HA . 18196 1 214 . 1 1 29 29 PHE C C 13 173.200 0.3 . 1 . . . . 21 F C . 18196 1 215 . 1 1 29 29 PHE CA C 13 55.793 0.3 . 1 . . . . 21 F CA . 18196 1 216 . 1 1 29 29 PHE CB C 13 40.908 0.3 . 1 . . . . 21 F CB . 18196 1 217 . 1 1 29 29 PHE N N 15 122.691 0.2 . 1 . . . . 21 F N . 18196 1 218 . 1 1 30 30 ASN HD21 H 1 6.528 0.05 . 2 . . . . 22 N HD21 . 18196 1 219 . 1 1 30 30 ASN HD22 H 1 7.465 0.05 . 2 . . . . 22 N HD22 . 18196 1 220 . 1 1 30 30 ASN CG C 13 175.785 0.3 . 1 . . . . 22 N CG . 18196 1 221 . 1 1 30 30 ASN ND2 N 15 111.481 0.2 . 1 . . . . 22 N ND2 . 18196 1 222 . 1 1 31 31 MET HA H 1 4.965 0.05 . 1 . . . . 23 M HA . 18196 1 223 . 1 1 31 31 MET HB2 H 1 2.404 0.05 . 2 . . . . 23 M HB1 . 18196 1 224 . 1 1 31 31 MET HG2 H 1 1.989 0.05 . 2 . . . . 23 M HG1 . 18196 1 225 . 1 1 31 31 MET C C 13 175.555 0.3 . 1 . . . . 23 M C . 18196 1 226 . 1 1 31 31 MET CA C 13 54.811 0.3 . 1 . . . . 23 M CA . 18196 1 227 . 1 1 31 31 MET CB C 13 30.710 0.3 . 1 . . . . 23 M CB . 18196 1 228 . 1 1 31 31 MET CG C 13 34.698 0.3 . 1 . . . . 23 M CG . 18196 1 229 . 1 1 32 32 SER H H 1 7.757 0.05 . 1 . . . . 24 S HN . 18196 1 230 . 1 1 32 32 SER HA H 1 4.896 0.05 . 1 . . . . 24 S HA . 18196 1 231 . 1 1 32 32 SER HB2 H 1 3.379 0.05 . 2 . . . . 24 S HB1 . 18196 1 232 . 1 1 32 32 SER C C 13 172.598 0.3 . 1 . . . . 24 S C . 18196 1 233 . 1 1 32 32 SER CA C 13 57.136 0.3 . 1 . . . . 24 S CA . 18196 1 234 . 1 1 32 32 SER CB C 13 65.087 0.3 . 1 . . . . 24 S CB . 18196 1 235 . 1 1 32 32 SER N N 15 114.030 0.2 . 1 . . . . 24 S N . 18196 1 236 . 1 1 33 33 LEU H H 1 9.225 0.05 . 1 . . . . 25 L HN . 18196 1 237 . 1 1 33 33 LEU HA H 1 5.017 0.05 . 1 . . . . 25 L HA . 18196 1 238 . 1 1 33 33 LEU HB2 H 1 0.976 0.05 . 2 . . . . 25 L HB1 . 18196 1 239 . 1 1 33 33 LEU HG H 1 0.478 0.05 . 1 . . . . 25 L HG . 18196 1 240 . 1 1 33 33 LEU HD11 H 1 0.185 0.05 . 2 . . . . 25 L HD11 . 18196 1 241 . 1 1 33 33 LEU HD12 H 1 0.185 0.05 . 2 . . . . 25 L HD11 . 18196 1 242 . 1 1 33 33 LEU HD13 H 1 0.185 0.05 . 2 . . . . 25 L HD11 . 18196 1 243 . 1 1 33 33 LEU C C 13 174.000 0.3 . 1 . . . . 25 L C . 18196 1 244 . 1 1 33 33 LEU CA C 13 53.318 0.3 . 1 . . . . 25 L CA . 18196 1 245 . 1 1 33 33 LEU CB C 13 44.934 0.3 . 1 . . . . 25 L CB . 18196 1 246 . 1 1 33 33 LEU CD1 C 13 26.146 0.3 . 2 . . . . 25 L CD1 . 18196 1 247 . 1 1 33 33 LEU N N 15 131.870 0.2 . 1 . . . . 25 L N . 18196 1 248 . 1 1 34 34 LYS H H 1 9.111 0.05 . 1 . . . . 26 K HN . 18196 1 249 . 1 1 34 34 LYS HA H 1 4.936 0.05 . 1 . . . . 26 K HA . 18196 1 250 . 1 1 34 34 LYS HB2 H 1 1.542 0.05 . 2 . . . . 26 K HB1 . 18196 1 251 . 1 1 34 34 LYS HG2 H 1 0.916 0.05 . 2 . . . . 26 K HG1 . 18196 1 252 . 1 1 34 34 LYS HD2 H 1 1.119 0.05 . 2 . . . . 26 K HD1 . 18196 1 253 . 1 1 34 34 LYS HE2 H 1 2.801 0.05 . 2 . . . . 26 K HE1 . 18196 1 254 . 1 1 34 34 LYS C C 13 175.357 0.3 . 1 . . . . 26 K C . 18196 1 255 . 1 1 34 34 LYS CA C 13 54.843 0.3 . 1 . . . . 26 K CA . 18196 1 256 . 1 1 34 34 LYS CB C 13 35.836 0.3 . 1 . . . . 26 K CB . 18196 1 257 . 1 1 34 34 LYS CG C 13 25.415 0.3 . 1 . . . . 26 K CG . 18196 1 258 . 1 1 34 34 LYS CD C 13 29.844 0.3 . 1 . . . . 26 K CD . 18196 1 259 . 1 1 34 34 LYS CE C 13 42.739 0.3 . 1 . . . . 26 K CE . 18196 1 260 . 1 1 34 34 LYS N N 15 126.400 0.2 . 1 . . . . 26 K N . 18196 1 261 . 1 1 35 35 ASN H H 1 8.299 0.05 . 1 . . . . 27 N HN . 18196 1 262 . 1 1 35 35 ASN HA H 1 4.995 0.05 . 1 . . . . 27 N HA . 18196 1 263 . 1 1 35 35 ASN HB2 H 1 3.551 0.05 . 2 . . . . 27 N HB1 . 18196 1 264 . 1 1 35 35 ASN HB3 H 1 2.400 0.05 . 2 . . . . 27 N HB2 . 18196 1 265 . 1 1 35 35 ASN C C 13 175.002 0.3 . 1 . . . . 27 N C . 18196 1 266 . 1 1 35 35 ASN CA C 13 51.834 0.3 . 1 . . . . 27 N CA . 18196 1 267 . 1 1 35 35 ASN CB C 13 37.696 0.3 . 1 . . . . 27 N CB . 18196 1 268 . 1 1 35 35 ASN N N 15 121.950 0.2 . 1 . . . . 27 N N . 18196 1 269 . 1 1 36 36 GLN H H 1 8.721 0.05 . 1 . . . . 28 Q HN . 18196 1 270 . 1 1 36 36 GLN HA H 1 4.759 0.05 . 1 . . . . 28 Q HA . 18196 1 271 . 1 1 36 36 GLN HB2 H 1 2.842 0.05 . 2 . . . . 28 Q HB1 . 18196 1 272 . 1 1 36 36 GLN HE21 H 1 7.487 0.05 . 2 . . . . 28 Q HE21 . 18196 1 273 . 1 1 36 36 GLN HE22 H 1 6.889 0.05 . 2 . . . . 28 Q HE22 . 18196 1 274 . 1 1 36 36 GLN C C 13 175.340 0.3 . 1 . . . . 28 Q C . 18196 1 275 . 1 1 36 36 GLN CA C 13 54.451 0.3 . 1 . . . . 28 Q CA . 18196 1 276 . 1 1 36 36 GLN CB C 13 28.469 0.3 . 1 . . . . 28 Q CB . 18196 1 277 . 1 1 36 36 GLN CG C 13 34.338 0.3 . 1 . . . . 28 Q CG . 18196 1 278 . 1 1 36 36 GLN CD C 13 179.839 0.3 . 1 . . . . 28 Q CD . 18196 1 279 . 1 1 36 36 GLN N N 15 124.599 0.2 . 1 . . . . 28 Q N . 18196 1 280 . 1 1 36 36 GLN NE2 N 15 110.932 0.2 . 1 . . . . 28 Q NE2 . 18196 1 281 . 1 1 37 37 SER H H 1 8.554 0.05 . 1 . . . . 29 S HN . 18196 1 282 . 1 1 37 37 SER HA H 1 4.766 0.05 . 1 . . . . 29 S HA . 18196 1 283 . 1 1 37 37 SER HB2 H 1 4.264 0.05 . 2 . . . . 29 S HB1 . 18196 1 284 . 1 1 37 37 SER HB3 H 1 3.974 0.05 . 2 . . . . 29 S HB2 . 18196 1 285 . 1 1 37 37 SER C C 13 174.021 0.3 . 1 . . . . 29 S C . 18196 1 286 . 1 1 37 37 SER CA C 13 58.090 0.3 . 1 . . . . 29 S CA . 18196 1 287 . 1 1 37 37 SER CB C 13 65.669 0.3 . 1 . . . . 29 S CB . 18196 1 288 . 1 1 37 37 SER N N 15 119.596 0.2 . 1 . . . . 29 S N . 18196 1 289 . 1 1 38 38 GLU H H 1 8.884 0.05 . 1 . . . . 30 E HN . 18196 1 290 . 1 1 38 38 GLU HA H 1 4.286 0.05 . 1 . . . . 30 E HA . 18196 1 291 . 1 1 38 38 GLU HB2 H 1 2.241 0.05 . 2 . . . . 30 E HB1 . 18196 1 292 . 1 1 38 38 GLU HB3 H 1 1.915 0.05 . 2 . . . . 30 E HB2 . 18196 1 293 . 1 1 38 38 GLU HG2 H 1 2.251 0.05 . 2 . . . . 30 E HG1 . 18196 1 294 . 1 1 38 38 GLU C C 13 175.212 0.3 . 1 . . . . 30 E C . 18196 1 295 . 1 1 38 38 GLU CA C 13 56.563 0.3 . 1 . . . . 30 E CA . 18196 1 296 . 1 1 38 38 GLU CB C 13 30.027 0.3 . 1 . . . . 30 E CB . 18196 1 297 . 1 1 38 38 GLU CG C 13 36.666 0.3 . 1 . . . . 30 E CG . 18196 1 298 . 1 1 38 38 GLU N N 15 118.055 0.2 . 1 . . . . 30 E N . 18196 1 299 . 1 1 39 39 ARG H H 1 8.350 0.05 . 1 . . . . 31 R HN . 18196 1 300 . 1 1 39 39 ARG HA H 1 4.784 0.05 . 1 . . . . 31 R HA . 18196 1 301 . 1 1 39 39 ARG HB2 H 1 1.699 0.05 . 2 . . . . 31 R HB1 . 18196 1 302 . 1 1 39 39 ARG HG2 H 1 1.357 0.05 . 2 . . . . 31 R HG1 . 18196 1 303 . 1 1 39 39 ARG HD2 H 1 3.049 0.05 . 2 . . . . 31 R HD1 . 18196 1 304 . 1 1 39 39 ARG C C 13 173.720 0.3 . 1 . . . . 31 R C . 18196 1 305 . 1 1 39 39 ARG CA C 13 53.716 0.3 . 1 . . . . 31 R CA . 18196 1 306 . 1 1 39 39 ARG CB C 13 33.685 0.3 . 1 . . . . 31 R CB . 18196 1 307 . 1 1 39 39 ARG CG C 13 26.310 0.3 . 1 . . . . 31 R CG . 18196 1 308 . 1 1 39 39 ARG CD C 13 43.581 0.3 . 1 . . . . 31 R CD . 18196 1 309 . 1 1 39 39 ARG N N 15 119.331 0.2 . 1 . . . . 31 R N . 18196 1 310 . 1 1 40 40 ALA H H 1 8.303 0.05 . 1 . . . . 32 A HN . 18196 1 311 . 1 1 40 40 ALA HA H 1 4.377 0.05 . 1 . . . . 32 A HA . 18196 1 312 . 1 1 40 40 ALA HB1 H 1 1.164 0.05 . 1 . . . . 32 A HB1 . 18196 1 313 . 1 1 40 40 ALA HB2 H 1 1.164 0.05 . 1 . . . . 32 A HB1 . 18196 1 314 . 1 1 40 40 ALA HB3 H 1 1.164 0.05 . 1 . . . . 32 A HB1 . 18196 1 315 . 1 1 40 40 ALA C C 13 177.345 0.3 . 1 . . . . 32 A C . 18196 1 316 . 1 1 40 40 ALA CA C 13 51.816 0.3 . 1 . . . . 32 A CA . 18196 1 317 . 1 1 40 40 ALA CB C 13 18.923 0.3 . 1 . . . . 32 A CB . 18196 1 318 . 1 1 40 40 ALA N N 15 122.485 0.2 . 1 . . . . 32 A N . 18196 1 319 . 1 1 41 41 ILE H H 1 8.238 0.05 . 1 . . . . 33 I HN . 18196 1 320 . 1 1 41 41 ILE HA H 1 4.004 0.05 . 1 . . . . 33 I HA . 18196 1 321 . 1 1 41 41 ILE HB H 1 1.181 0.05 . 1 . . . . 33 I HB . 18196 1 322 . 1 1 41 41 ILE HG12 H 1 0.525 0.05 . 9 . . . . 33 I HG11 . 18196 1 323 . 1 1 41 41 ILE C C 13 173.188 0.3 . 1 . . . . 33 I C . 18196 1 324 . 1 1 41 41 ILE CA C 13 60.451 0.3 . 1 . . . . 33 I CA . 18196 1 325 . 1 1 41 41 ILE CB C 13 41.413 0.3 . 1 . . . . 33 I CB . 18196 1 326 . 1 1 41 41 ILE CG2 C 13 17.786 0.3 . 1 . . . . 33 I CG2 . 18196 1 327 . 1 1 41 41 ILE CD1 C 13 14.253 0.3 . 1 . . . . 33 I CD1 . 18196 1 328 . 1 1 41 41 ILE N N 15 122.029 0.2 . 1 . . . . 33 I N . 18196 1 329 . 1 1 42 42 GLU H H 1 8.163 0.05 . 1 . . . . 34 E HN . 18196 1 330 . 1 1 42 42 GLU HA H 1 4.843 0.05 . 1 . . . . 34 E HA . 18196 1 331 . 1 1 42 42 GLU HB2 H 1 1.834 0.05 . 2 . . . . 34 E HB1 . 18196 1 332 . 1 1 42 42 GLU HG2 H 1 1.998 0.05 . 2 . . . . 34 E HG1 . 18196 1 333 . 1 1 42 42 GLU CA C 13 54.397 0.3 . 1 . . . . 34 E CA . 18196 1 334 . 1 1 42 42 GLU CB C 13 31.197 0.3 . 1 . . . . 34 E CB . 18196 1 335 . 1 1 42 42 GLU CG C 13 36.666 0.3 . 1 . . . . 34 E CG . 18196 1 336 . 1 1 42 42 GLU N N 15 127.255 0.2 . 1 . . . . 34 E N . 18196 1 337 . 1 1 43 43 PHE H H 1 9.442 0.05 . 1 . . . . 35 F HN . 18196 1 338 . 1 1 43 43 PHE HA H 1 4.682 0.05 . 1 . . . . 35 F HA . 18196 1 339 . 1 1 43 43 PHE HB2 H 1 2.887 0.05 . 2 . . . . 35 F HB1 . 18196 1 340 . 1 1 43 43 PHE HB3 H 1 2.884 0.05 . 2 . . . . 35 F HB2 . 18196 1 341 . 1 1 43 43 PHE HD1 H 1 6.865 0.05 . 1 . . . . 35 F HD1 . 18196 1 342 . 1 1 43 43 PHE HE1 H 1 7.092 0.05 . 1 . . . . 35 F HE1 . 18196 1 343 . 1 1 43 43 PHE C C 13 175.135 0.3 . 1 . . . . 35 F C . 18196 1 344 . 1 1 43 43 PHE CA C 13 56.993 0.3 . 1 . . . . 35 F CA . 18196 1 345 . 1 1 43 43 PHE CB C 13 41.865 0.3 . 1 . . . . 35 F CB . 18196 1 346 . 1 1 43 43 PHE N N 15 123.569 0.2 . 1 . . . . 35 F N . 18196 1 347 . 1 1 44 44 GLN H H 1 8.972 0.05 . 1 . . . . 36 Q HN . 18196 1 348 . 1 1 44 44 GLN HA H 1 4.889 0.05 . 1 . . . . 36 Q HA . 18196 1 349 . 1 1 44 44 GLN HB2 H 1 2.036 0.05 . 2 . . . . 36 Q HB1 . 18196 1 350 . 1 1 44 44 GLN HB3 H 1 1.906 0.05 . 2 . . . . 36 Q HB2 . 18196 1 351 . 1 1 44 44 GLN HG2 H 1 2.286 0.05 . 2 . . . . 36 Q HG1 . 18196 1 352 . 1 1 44 44 GLN HE21 H 1 7.509 0.05 . 2 . . . . 36 Q HE21 . 18196 1 353 . 1 1 44 44 GLN HE22 H 1 6.726 0.05 . 2 . . . . 36 Q HE22 . 18196 1 354 . 1 1 44 44 GLN C C 13 175.031 0.3 . 1 . . . . 36 Q C . 18196 1 355 . 1 1 44 44 GLN CA C 13 54.553 0.3 . 1 . . . . 36 Q CA . 18196 1 356 . 1 1 44 44 GLN CB C 13 31.738 0.3 . 1 . . . . 36 Q CB . 18196 1 357 . 1 1 44 44 GLN CG C 13 34.431 0.3 . 1 . . . . 36 Q CG . 18196 1 358 . 1 1 44 44 GLN CD C 13 180.134 0.3 . 1 . . . . 36 Q CD . 18196 1 359 . 1 1 44 44 GLN N N 15 119.724 0.2 . 1 . . . . 36 Q N . 18196 1 360 . 1 1 44 44 GLN NE2 N 15 111.769 0.2 . 1 . . . . 36 Q NE2 . 18196 1 361 . 1 1 45 45 PHE H H 1 8.989 0.05 . 1 . . . . 37 F HN . 18196 1 362 . 1 1 45 45 PHE HA H 1 4.914 0.05 . 1 . . . . 37 F HA . 18196 1 363 . 1 1 45 45 PHE HB2 H 1 3.343 0.05 . 2 . . . . 37 F HB1 . 18196 1 364 . 1 1 45 45 PHE HB3 H 1 2.656 0.05 . 2 . . . . 37 F HB2 . 18196 1 365 . 1 1 45 45 PHE C C 13 175.648 0.3 . 1 . . . . 37 F C . 18196 1 366 . 1 1 45 45 PHE CA C 13 55.816 0.3 . 1 . . . . 37 F CA . 18196 1 367 . 1 1 45 45 PHE CB C 13 41.594 0.3 . 1 . . . . 37 F CB . 18196 1 368 . 1 1 45 45 PHE N N 15 122.007 0.2 . 1 . . . . 37 F N . 18196 1 369 . 1 1 46 46 SER H H 1 8.830 0.05 . 1 . . . . 38 S HN . 18196 1 370 . 1 1 46 46 SER HA H 1 4.190 0.05 . 1 . . . . 38 S HA . 18196 1 371 . 1 1 46 46 SER HB2 H 1 3.810 0.05 . 2 . . . . 38 S HB1 . 18196 1 372 . 1 1 46 46 SER C C 13 173.267 0.3 . 1 . . . . 38 S C . 18196 1 373 . 1 1 46 46 SER CA C 13 59.658 0.3 . 1 . . . . 38 S CA . 18196 1 374 . 1 1 46 46 SER CB C 13 63.953 0.3 . 1 . . . . 38 S CB . 18196 1 375 . 1 1 46 46 SER N N 15 116.579 0.2 . 1 . . . . 38 S N . 18196 1 376 . 1 1 47 47 THR H H 1 7.602 0.05 . 1 . . . . 39 T HN . 18196 1 377 . 1 1 47 47 THR HA H 1 4.688 0.05 . 1 . . . . 39 T HA . 18196 1 378 . 1 1 47 47 THR HB H 1 4.424 0.05 . 1 . . . . 39 T HB . 18196 1 379 . 1 1 47 47 THR HG21 H 1 1.048 0.05 . 1 . . . . 39 T HG21 . 18196 1 380 . 1 1 47 47 THR HG22 H 1 1.048 0.05 . 1 . . . . 39 T HG21 . 18196 1 381 . 1 1 47 47 THR HG23 H 1 1.048 0.05 . 1 . . . . 39 T HG21 . 18196 1 382 . 1 1 47 47 THR C C 13 173.475 0.3 . 1 . . . . 39 T C . 18196 1 383 . 1 1 47 47 THR CA C 13 59.038 0.3 . 1 . . . . 39 T CA . 18196 1 384 . 1 1 47 47 THR CB C 13 73.567 0.3 . 1 . . . . 39 T CB . 18196 1 385 . 1 1 47 47 THR CG2 C 13 22.091 0.3 . 1 . . . . 39 T CG2 . 18196 1 386 . 1 1 47 47 THR N N 15 108.694 0.2 . 1 . . . . 39 T N . 18196 1 387 . 1 1 48 48 GLY H H 1 8.627 0.05 . 1 . . . . 40 G HN . 18196 1 388 . 1 1 48 48 GLY C C 13 173.424 0.3 . 1 . . . . 40 G C . 18196 1 389 . 1 1 48 48 GLY CA C 13 45.377 0.3 . 1 . . . . 40 G CA . 18196 1 390 . 1 1 48 48 GLY N N 15 105.742 0.2 . 1 . . . . 40 G N . 18196 1 391 . 1 1 49 49 GLN H H 1 7.639 0.05 . 1 . . . . 41 Q HN . 18196 1 392 . 1 1 49 49 GLN HA H 1 3.364 0.05 . 1 . . . . 41 Q HA . 18196 1 393 . 1 1 49 49 GLN C C 13 175.278 0.3 . 1 . . . . 41 Q C . 18196 1 394 . 1 1 49 49 GLN CA C 13 55.516 0.3 . 1 . . . . 41 Q CA . 18196 1 395 . 1 1 49 49 GLN CB C 13 27.016 0.3 . 1 . . . . 41 Q CB . 18196 1 396 . 1 1 49 49 GLN CG C 13 33.571 0.3 . 1 . . . . 41 Q CG . 18196 1 397 . 1 1 49 49 GLN N N 15 120.963 0.2 . 1 . . . . 41 Q N . 18196 1 398 . 1 1 50 50 LYS H H 1 8.993 0.05 . 1 . . . . 42 K HN . 18196 1 399 . 1 1 50 50 LYS HA H 1 3.955 0.05 . 1 . . . . 42 K HA . 18196 1 400 . 1 1 50 50 LYS HB2 H 1 1.665 0.05 . 2 . . . . 42 K HB1 . 18196 1 401 . 1 1 50 50 LYS HB3 H 1 1.249 0.05 . 2 . . . . 42 K HB2 . 18196 1 402 . 1 1 50 50 LYS HG2 H 1 1.026 0.05 . 2 . . . . 42 K HG1 . 18196 1 403 . 1 1 50 50 LYS C C 13 175.462 0.3 . 1 . . . . 42 K C . 18196 1 404 . 1 1 50 50 LYS CA C 13 56.654 0.3 . 1 . . . . 42 K CA . 18196 1 405 . 1 1 50 50 LYS CB C 13 32.930 0.3 . 1 . . . . 42 K CB . 18196 1 406 . 1 1 50 50 LYS CG C 13 24.885 0.3 . 1 . . . . 42 K CG . 18196 1 407 . 1 1 50 50 LYS CD C 13 28.597 0.3 . 1 . . . . 42 K CD . 18196 1 408 . 1 1 50 50 LYS N N 15 125.811 0.2 . 1 . . . . 42 K N . 18196 1 409 . 1 1 51 51 PHE H H 1 6.853 0.05 . 1 . . . . 43 F HN . 18196 1 410 . 1 1 51 51 PHE HA H 1 5.139 0.05 . 1 . . . . 43 F HA . 18196 1 411 . 1 1 51 51 PHE HB2 H 1 2.875 0.05 . 2 . . . . 43 F HB1 . 18196 1 412 . 1 1 51 51 PHE HB3 H 1 2.697 0.05 . 2 . . . . 43 F HB2 . 18196 1 413 . 1 1 51 51 PHE HD1 H 1 6.444 0.05 . 1 . . . . 43 F HD1 . 18196 1 414 . 1 1 51 51 PHE HE1 H 1 6.734 0.05 . 1 . . . . 43 F HE1 . 18196 1 415 . 1 1 51 51 PHE C C 13 171.727 0.3 . 1 . . . . 43 F C . 18196 1 416 . 1 1 51 51 PHE CA C 13 55.075 0.3 . 1 . . . . 43 F CA . 18196 1 417 . 1 1 51 51 PHE CB C 13 40.978 0.3 . 1 . . . . 43 F CB . 18196 1 418 . 1 1 51 51 PHE N N 15 111.368 0.2 . 1 . . . . 43 F N . 18196 1 419 . 1 1 52 52 GLU H H 1 9.061 0.05 . 1 . . . . 44 E HN . 18196 1 420 . 1 1 52 52 GLU HA H 1 5.165 0.05 . 1 . . . . 44 E HA . 18196 1 421 . 1 1 52 52 GLU HB2 H 1 2.225 0.05 . 2 . . . . 44 E HB1 . 18196 1 422 . 1 1 52 52 GLU HG2 H 1 2.152 0.05 . 2 . . . . 44 E HG1 . 18196 1 423 . 1 1 52 52 GLU C C 13 173.106 0.3 . 1 . . . . 44 E C . 18196 1 424 . 1 1 52 52 GLU CA C 13 53.491 0.3 . 1 . . . . 44 E CA . 18196 1 425 . 1 1 52 52 GLU CB C 13 33.749 0.3 . 1 . . . . 44 E CB . 18196 1 426 . 1 1 52 52 GLU CG C 13 36.721 0.3 . 1 . . . . 44 E CG . 18196 1 427 . 1 1 52 52 GLU N N 15 119.024 0.2 . 1 . . . . 44 E N . 18196 1 428 . 1 1 53 53 LEU H H 1 9.285 0.05 . 1 . . . . 45 L HN . 18196 1 429 . 1 1 53 53 LEU HA H 1 5.242 0.05 . 1 . . . . 45 L HA . 18196 1 430 . 1 1 53 53 LEU HB2 H 1 1.666 0.05 . 2 . . . . 45 L HB1 . 18196 1 431 . 1 1 53 53 LEU HG H 1 0.999 0.05 . 1 . . . . 45 L HG . 18196 1 432 . 1 1 53 53 LEU HD11 H 1 0.358 0.05 . 2 . . . . 45 L HD11 . 18196 1 433 . 1 1 53 53 LEU HD12 H 1 0.358 0.05 . 2 . . . . 45 L HD11 . 18196 1 434 . 1 1 53 53 LEU HD13 H 1 0.358 0.05 . 2 . . . . 45 L HD11 . 18196 1 435 . 1 1 53 53 LEU HD21 H 1 0.397 0.05 . 2 . . . . 45 L HD21 . 18196 1 436 . 1 1 53 53 LEU HD22 H 1 0.397 0.05 . 2 . . . . 45 L HD21 . 18196 1 437 . 1 1 53 53 LEU HD23 H 1 0.397 0.05 . 2 . . . . 45 L HD21 . 18196 1 438 . 1 1 53 53 LEU C C 13 173.593 0.3 . 1 . . . . 45 L C . 18196 1 439 . 1 1 53 53 LEU CA C 13 55.595 0.3 . 1 . . . . 45 L CA . 18196 1 440 . 1 1 53 53 LEU CB C 13 46.085 0.3 . 1 . . . . 45 L CB . 18196 1 441 . 1 1 53 53 LEU CG C 13 28.047 0.3 . 1 . . . . 45 L CG . 18196 1 442 . 1 1 53 53 LEU CD1 C 13 25.017 0.3 . 2 . . . . 45 L CD1 . 18196 1 443 . 1 1 53 53 LEU N N 15 131.636 0.2 . 1 . . . . 45 L N . 18196 1 444 . 1 1 54 54 VAL H H 1 8.755 0.05 . 1 . . . . 46 V HN . 18196 1 445 . 1 1 54 54 VAL HA H 1 4.822 0.05 . 1 . . . . 46 V HA . 18196 1 446 . 1 1 54 54 VAL HB H 1 1.702 0.05 . 1 . . . . 46 V HB . 18196 1 447 . 1 1 54 54 VAL HG11 H 1 0.444 0.05 . 2 . . . . 46 V HG11 . 18196 1 448 . 1 1 54 54 VAL HG12 H 1 0.444 0.05 . 2 . . . . 46 V HG11 . 18196 1 449 . 1 1 54 54 VAL HG13 H 1 0.444 0.05 . 2 . . . . 46 V HG11 . 18196 1 450 . 1 1 54 54 VAL HG21 H 1 0.723 0.05 . 2 . . . . 46 V HG21 . 18196 1 451 . 1 1 54 54 VAL HG22 H 1 0.723 0.05 . 2 . . . . 46 V HG21 . 18196 1 452 . 1 1 54 54 VAL HG23 H 1 0.723 0.05 . 2 . . . . 46 V HG21 . 18196 1 453 . 1 1 54 54 VAL C C 13 173.637 0.3 . 1 . . . . 46 V C . 18196 1 454 . 1 1 54 54 VAL CA C 13 59.738 0.3 . 1 . . . . 46 V CA . 18196 1 455 . 1 1 54 54 VAL CB C 13 35.886 0.3 . 1 . . . . 46 V CB . 18196 1 456 . 1 1 54 54 VAL CG1 C 13 21.748 0.3 . 2 . . . . 46 V CG1 . 18196 1 457 . 1 1 54 54 VAL N N 15 125.998 0.2 . 1 . . . . 46 V N . 18196 1 458 . 1 1 55 55 VAL H H 1 8.410 0.05 . 1 . . . . 47 V HN . 18196 1 459 . 1 1 55 55 VAL HA H 1 4.994 0.05 . 1 . . . . 47 V HA . 18196 1 460 . 1 1 55 55 VAL HB H 1 1.233 0.05 . 1 . . . . 47 V HB . 18196 1 461 . 1 1 55 55 VAL HG11 H 1 0.684 0.05 . 2 . . . . 47 V HG11 . 18196 1 462 . 1 1 55 55 VAL HG12 H 1 0.684 0.05 . 2 . . . . 47 V HG11 . 18196 1 463 . 1 1 55 55 VAL HG13 H 1 0.684 0.05 . 2 . . . . 47 V HG11 . 18196 1 464 . 1 1 55 55 VAL HG21 H 1 1.001 0.05 . 2 . . . . 47 V HG21 . 18196 1 465 . 1 1 55 55 VAL HG22 H 1 1.001 0.05 . 2 . . . . 47 V HG21 . 18196 1 466 . 1 1 55 55 VAL HG23 H 1 1.001 0.05 . 2 . . . . 47 V HG21 . 18196 1 467 . 1 1 55 55 VAL C C 13 174.594 0.3 . 1 . . . . 47 V C . 18196 1 468 . 1 1 55 55 VAL CA C 13 60.200 0.3 . 1 . . . . 47 V CA . 18196 1 469 . 1 1 55 55 VAL CB C 13 33.963 0.3 . 1 . . . . 47 V CB . 18196 1 470 . 1 1 55 55 VAL CG1 C 13 22.810 0.3 . 2 . . . . 47 V CG1 . 18196 1 471 . 1 1 55 55 VAL N N 15 124.694 0.2 . 1 . . . . 47 V N . 18196 1 472 . 1 1 56 56 TYR H H 1 9.755 0.05 . 1 . . . . 48 Y HN . 18196 1 473 . 1 1 56 56 TYR HA H 1 5.489 0.05 . 1 . . . . 48 Y HA . 18196 1 474 . 1 1 56 56 TYR HB2 H 1 2.765 0.05 . 2 . . . . 48 Y HB1 . 18196 1 475 . 1 1 56 56 TYR HD1 H 1 6.674 0.05 . 3 . . . . 48 Y HD1 . 18196 1 476 . 1 1 56 56 TYR HD2 H 1 6.603 0.05 . 3 . . . . 48 Y HD2 . 18196 1 477 . 1 1 56 56 TYR HE1 H 1 6.603 0.05 . 3 . . . . 48 Y HE1 . 18196 1 478 . 1 1 56 56 TYR C C 13 175.717 0.3 . 1 . . . . 48 Y C . 18196 1 479 . 1 1 56 56 TYR CA C 13 56.037 0.3 . 1 . . . . 48 Y CA . 18196 1 480 . 1 1 56 56 TYR CB C 13 43.150 0.3 . 1 . . . . 48 Y CB . 18196 1 481 . 1 1 56 56 TYR N N 15 126.080 0.2 . 1 . . . . 48 Y N . 18196 1 482 . 1 1 57 57 ASP H H 1 8.185 0.05 . 1 . . . . 49 D HN . 18196 1 483 . 1 1 57 57 ASP HA H 1 4.793 0.05 . 1 . . . . 49 D HA . 18196 1 484 . 1 1 57 57 ASP HB2 H 1 3.077 0.05 . 2 . . . . 49 D HB1 . 18196 1 485 . 1 1 57 57 ASP HB3 H 1 2.719 0.05 . 2 . . . . 49 D HB2 . 18196 1 486 . 1 1 57 57 ASP C C 13 179.099 0.3 . 1 . . . . 49 D C . 18196 1 487 . 1 1 57 57 ASP CA C 13 51.860 0.3 . 1 . . . . 49 D CA . 18196 1 488 . 1 1 57 57 ASP CB C 13 42.832 0.3 . 1 . . . . 49 D CB . 18196 1 489 . 1 1 57 57 ASP N N 15 118.966 0.2 . 1 . . . . 49 D N . 18196 1 490 . 1 1 58 58 SER H H 1 8.672 0.05 . 1 . . . . 50 S HN . 18196 1 491 . 1 1 58 58 SER HA H 1 4.040 0.05 . 1 . . . . 50 S HA . 18196 1 492 . 1 1 58 58 SER HB2 H 1 3.943 0.05 . 2 . . . . 50 S HB1 . 18196 1 493 . 1 1 58 58 SER C C 13 175.545 0.3 . 1 . . . . 50 S C . 18196 1 494 . 1 1 58 58 SER CA C 13 61.110 0.3 . 1 . . . . 50 S CA . 18196 1 495 . 1 1 58 58 SER CB C 13 62.624 0.3 . 1 . . . . 50 S CB . 18196 1 496 . 1 1 58 58 SER N N 15 114.753 0.2 . 1 . . . . 50 S N . 18196 1 497 . 1 1 59 59 GLU H H 1 8.035 0.05 . 1 . . . . 51 E HN . 18196 1 498 . 1 1 59 59 GLU HA H 1 4.312 0.05 . 1 . . . . 51 E HA . 18196 1 499 . 1 1 59 59 GLU HB2 H 1 2.286 0.05 . 2 . . . . 51 E HB1 . 18196 1 500 . 1 1 59 59 GLU HB3 H 1 1.949 0.05 . 2 . . . . 51 E HB2 . 18196 1 501 . 1 1 59 59 GLU HG2 H 1 2.145 0.05 . 2 . . . . 51 E HG1 . 18196 1 502 . 1 1 59 59 GLU C C 13 175.574 0.3 . 1 . . . . 51 E C . 18196 1 503 . 1 1 59 59 GLU CA C 13 55.656 0.3 . 1 . . . . 51 E CA . 18196 1 504 . 1 1 59 59 GLU CB C 13 29.425 0.3 . 1 . . . . 51 E CB . 18196 1 505 . 1 1 59 59 GLU CG C 13 37.022 0.3 . 1 . . . . 51 E CG . 18196 1 506 . 1 1 59 59 GLU N N 15 121.895 0.2 . 1 . . . . 51 E N . 18196 1 507 . 1 1 60 60 HIS H H 1 8.511 0.05 . 1 . . . . 52 H HN . 18196 1 508 . 1 1 60 60 HIS HA H 1 3.945 0.05 . 1 . . . . 52 H HA . 18196 1 509 . 1 1 60 60 HIS HB2 H 1 3.392 0.05 . 2 . . . . 52 H HB1 . 18196 1 510 . 1 1 60 60 HIS C C 13 173.636 0.3 . 1 . . . . 52 H C . 18196 1 511 . 1 1 60 60 HIS CA C 13 57.350 0.3 . 1 . . . . 52 H CA . 18196 1 512 . 1 1 60 60 HIS CB C 13 26.620 0.3 . 1 . . . . 52 H CB . 18196 1 513 . 1 1 60 60 HIS N N 15 114.986 0.2 . 1 . . . . 52 H N . 18196 1 514 . 1 1 61 61 LYS H H 1 8.579 0.05 . 1 . . . . 53 K HN . 18196 1 515 . 1 1 61 61 LYS HA H 1 4.500 0.05 . 1 . . . . 53 K HA . 18196 1 516 . 1 1 61 61 LYS HB2 H 1 2.083 0.05 . 2 . . . . 53 K HB1 . 18196 1 517 . 1 1 61 61 LYS HG2 H 1 1.436 0.05 . 2 . . . . 53 K HG1 . 18196 1 518 . 1 1 61 61 LYS HG3 H 1 1.216 0.05 . 2 . . . . 53 K HG2 . 18196 1 519 . 1 1 61 61 LYS HD2 H 1 1.729 0.05 . 2 . . . . 53 K HD1 . 18196 1 520 . 1 1 61 61 LYS C C 13 176.992 0.3 . 1 . . . . 53 K C . 18196 1 521 . 1 1 61 61 LYS CA C 13 56.812 0.3 . 1 . . . . 53 K CA . 18196 1 522 . 1 1 61 61 LYS CB C 13 30.227 0.3 . 1 . . . . 53 K CB . 18196 1 523 . 1 1 61 61 LYS CG C 13 25.122 0.3 . 1 . . . . 53 K CG . 18196 1 524 . 1 1 61 61 LYS CD C 13 29.402 0.3 . 1 . . . . 53 K CD . 18196 1 525 . 1 1 61 61 LYS N N 15 120.445 0.2 . 1 . . . . 53 K N . 18196 1 526 . 1 1 62 62 GLU H H 1 8.793 0.05 . 1 . . . . 54 E HN . 18196 1 527 . 1 1 62 62 GLU HA H 1 3.996 0.05 . 1 . . . . 54 E HA . 18196 1 528 . 1 1 62 62 GLU HB2 H 1 1.871 0.05 . 2 . . . . 54 E HB1 . 18196 1 529 . 1 1 62 62 GLU HG2 H 1 1.658 0.05 . 2 . . . . 54 E HG1 . 18196 1 530 . 1 1 62 62 GLU C C 13 176.873 0.3 . 1 . . . . 54 E C . 18196 1 531 . 1 1 62 62 GLU CA C 13 57.041 0.3 . 1 . . . . 54 E CA . 18196 1 532 . 1 1 62 62 GLU CB C 13 29.941 0.3 . 1 . . . . 54 E CB . 18196 1 533 . 1 1 62 62 GLU CG C 13 37.040 0.3 . 1 . . . . 54 E CG . 18196 1 534 . 1 1 62 62 GLU N N 15 124.457 0.2 . 1 . . . . 54 E N . 18196 1 535 . 1 1 63 63 ARG H H 1 9.307 0.05 . 1 . . . . 55 R HN . 18196 1 536 . 1 1 63 63 ARG HA H 1 4.579 0.05 . 1 . . . . 55 R HA . 18196 1 537 . 1 1 63 63 ARG HB2 H 1 2.297 0.05 . 2 . . . . 55 R HB1 . 18196 1 538 . 1 1 63 63 ARG HB3 H 1 1.237 0.05 . 2 . . . . 55 R HB2 . 18196 1 539 . 1 1 63 63 ARG HG2 H 1 1.660 0.05 . 2 . . . . 55 R HG1 . 18196 1 540 . 1 1 63 63 ARG HD2 H 1 3.524 0.05 . 2 . . . . 55 R HD1 . 18196 1 541 . 1 1 63 63 ARG HD3 H 1 3.099 0.05 . 2 . . . . 55 R HD2 . 18196 1 542 . 1 1 63 63 ARG C C 13 175.608 0.3 . 1 . . . . 55 R C . 18196 1 543 . 1 1 63 63 ARG CA C 13 53.250 0.3 . 1 . . . . 55 R CA . 18196 1 544 . 1 1 63 63 ARG CB C 13 31.714 0.3 . 1 . . . . 55 R CB . 18196 1 545 . 1 1 63 63 ARG CG C 13 27.795 0.3 . 1 . . . . 55 R CG . 18196 1 546 . 1 1 63 63 ARG N N 15 125.015 0.2 . 1 . . . . 55 R N . 18196 1 547 . 1 1 64 64 TYR H H 1 6.962 0.05 . 1 . . . . 56 Y HN . 18196 1 548 . 1 1 64 64 TYR HA H 1 4.389 0.05 . 1 . . . . 56 Y HA . 18196 1 549 . 1 1 64 64 TYR HB2 H 1 1.929 0.05 . 2 . . . . 56 Y HB1 . 18196 1 550 . 1 1 64 64 TYR HD1 H 1 6.929 0.05 . 3 . . . . 56 Y HD1 . 18196 1 551 . 1 1 64 64 TYR HE1 H 1 7.088 0.05 . 3 . . . . 56 Y HE1 . 18196 1 552 . 1 1 64 64 TYR C C 13 171.622 0.3 . 1 . . . . 56 Y C . 18196 1 553 . 1 1 64 64 TYR CA C 13 57.340 0.3 . 1 . . . . 56 Y CA . 18196 1 554 . 1 1 64 64 TYR CB C 13 39.776 0.3 . 1 . . . . 56 Y CB . 18196 1 555 . 1 1 64 64 TYR N N 15 117.847 0.2 . 1 . . . . 56 Y N . 18196 1 556 . 1 1 65 65 ARG H H 1 7.340 0.05 . 1 . . . . 57 R HN . 18196 1 557 . 1 1 65 65 ARG HA H 1 4.678 0.05 . 1 . . . . 57 R HA . 18196 1 558 . 1 1 65 65 ARG HB2 H 1 1.747 0.05 . 2 . . . . 57 R HB1 . 18196 1 559 . 1 1 65 65 ARG HG2 H 1 1.228 0.05 . 2 . . . . 57 R HG1 . 18196 1 560 . 1 1 65 65 ARG C C 13 174.922 0.3 . 1 . . . . 57 R C . 18196 1 561 . 1 1 65 65 ARG CA C 13 54.281 0.3 . 1 . . . . 57 R CA . 18196 1 562 . 1 1 65 65 ARG CB C 13 33.726 0.3 . 1 . . . . 57 R CB . 18196 1 563 . 1 1 65 65 ARG CG C 13 28.816 0.3 . 1 . . . . 57 R CG . 18196 1 564 . 1 1 65 65 ARG CD C 13 43.854 0.3 . 1 . . . . 57 R CD . 18196 1 565 . 1 1 65 65 ARG N N 15 128.620 0.2 . 1 . . . . 57 R N . 18196 1 566 . 1 1 66 66 TYR H H 1 9.042 0.05 . 1 . . . . 58 Y HN . 18196 1 567 . 1 1 66 66 TYR HA H 1 4.238 0.05 . 1 . . . . 58 Y HA . 18196 1 568 . 1 1 66 66 TYR HB2 H 1 2.502 0.05 . 2 . . . . 58 Y HB1 . 18196 1 569 . 1 1 66 66 TYR HD1 H 1 6.632 0.05 . 3 . . . . 58 Y HD1 . 18196 1 570 . 1 1 66 66 TYR HE1 H 1 6.321 0.05 . 3 . . . . 58 Y HE1 . 18196 1 571 . 1 1 66 66 TYR HE2 H 1 6.321 0.05 . 3 . . . . 58 Y HE2 . 18196 1 572 . 1 1 66 66 TYR C C 13 176.784 0.3 . 1 . . . . 58 Y C . 18196 1 573 . 1 1 66 66 TYR CA C 13 60.358 0.3 . 1 . . . . 58 Y CA . 18196 1 574 . 1 1 66 66 TYR CB C 13 39.719 0.3 . 1 . . . . 58 Y CB . 18196 1 575 . 1 1 66 66 TYR N N 15 131.716 0.2 . 1 . . . . 58 Y N . 18196 1 576 . 1 1 67 67 SER H H 1 8.765 0.05 . 1 . . . . 59 S HN . 18196 1 577 . 1 1 67 67 SER HA H 1 3.777 0.05 . 1 . . . . 59 S HA . 18196 1 578 . 1 1 67 67 SER HB2 H 1 3.338 0.05 . 2 . . . . 59 S HB1 . 18196 1 579 . 1 1 67 67 SER C C 13 175.393 0.3 . 1 . . . . 59 S C . 18196 1 580 . 1 1 67 67 SER CA C 13 60.907 0.3 . 1 . . . . 59 S CA . 18196 1 581 . 1 1 67 67 SER CB C 13 62.011 0.3 . 1 . . . . 59 S CB . 18196 1 582 . 1 1 67 67 SER N N 15 111.767 0.2 . 1 . . . . 59 S N . 18196 1 583 . 1 1 68 68 LYS H H 1 6.825 0.05 . 1 . . . . 60 K HN . 18196 1 584 . 1 1 68 68 LYS C C 13 177.064 0.3 . 1 . . . . 60 K C . 18196 1 585 . 1 1 68 68 LYS CA C 13 58.573 0.3 . 1 . . . . 60 K CA . 18196 1 586 . 1 1 68 68 LYS CB C 13 32.686 0.3 . 1 . . . . 60 K CB . 18196 1 587 . 1 1 68 68 LYS N N 15 123.042 0.2 . 1 . . . . 60 K N . 18196 1 588 . 1 1 69 69 GLU HA H 1 3.870 0.05 . 1 . . . . 61 E HA . 18196 1 589 . 1 1 69 69 GLU HB2 H 1 2.208 0.05 . 2 . . . . 61 E HB1 . 18196 1 590 . 1 1 69 69 GLU HB3 H 1 1.710 0.05 . 2 . . . . 61 E HB2 . 18196 1 591 . 1 1 69 69 GLU C C 13 175.270 0.3 . 1 . . . . 61 E C . 18196 1 592 . 1 1 69 69 GLU CA C 13 57.593 0.3 . 1 . . . . 61 E CA . 18196 1 593 . 1 1 69 69 GLU CB C 13 27.646 0.3 . 1 . . . . 61 E CB . 18196 1 594 . 1 1 70 70 LYS H H 1 7.287 0.05 . 1 . . . . 62 K HN . 18196 1 595 . 1 1 70 70 LYS HA H 1 4.199 0.05 . 1 . . . . 62 K HA . 18196 1 596 . 1 1 70 70 LYS HB2 H 1 1.030 0.05 . 2 . . . . 62 K HB1 . 18196 1 597 . 1 1 70 70 LYS HG2 H 1 0.963 0.05 . 2 . . . . 62 K HG1 . 18196 1 598 . 1 1 70 70 LYS HE2 H 1 2.909 0.05 . 2 . . . . 62 K HE1 . 18196 1 599 . 1 1 70 70 LYS C C 13 175.332 0.3 . 1 . . . . 62 K C . 18196 1 600 . 1 1 70 70 LYS CA C 13 55.488 0.3 . 1 . . . . 62 K CA . 18196 1 601 . 1 1 70 70 LYS CB C 13 35.383 0.3 . 1 . . . . 62 K CB . 18196 1 602 . 1 1 70 70 LYS CG C 13 26.033 0.3 . 1 . . . . 62 K CG . 18196 1 603 . 1 1 70 70 LYS CD C 13 28.643 0.3 . 1 . . . . 62 K CD . 18196 1 604 . 1 1 70 70 LYS CE C 13 43.111 0.3 . 1 . . . . 62 K CE . 18196 1 605 . 1 1 70 70 LYS N N 15 117.955 0.2 . 1 . . . . 62 K N . 18196 1 606 . 1 1 71 71 MET H H 1 7.984 0.05 . 1 . . . . 63 M HN . 18196 1 607 . 1 1 71 71 MET HA H 1 4.451 0.05 . 1 . . . . 63 M HA . 18196 1 608 . 1 1 71 71 MET HB2 H 1 1.780 0.05 . 2 . . . . 63 M HB1 . 18196 1 609 . 1 1 71 71 MET C C 13 174.685 0.3 . 1 . . . . 63 M C . 18196 1 610 . 1 1 71 71 MET CA C 13 53.823 0.3 . 1 . . . . 63 M CA . 18196 1 611 . 1 1 71 71 MET CB C 13 33.694 0.3 . 1 . . . . 63 M CB . 18196 1 612 . 1 1 71 71 MET N N 15 120.522 0.2 . 1 . . . . 63 M N . 18196 1 613 . 1 1 72 72 PHE H H 1 8.550 0.05 . 1 . . . . 64 F HN . 18196 1 614 . 1 1 72 72 PHE HA H 1 4.818 0.05 . 1 . . . . 64 F HA . 18196 1 615 . 1 1 72 72 PHE C C 13 174.677 0.3 . 1 . . . . 64 F C . 18196 1 616 . 1 1 72 72 PHE CA C 13 56.694 0.3 . 1 . . . . 64 F CA . 18196 1 617 . 1 1 72 72 PHE CB C 13 41.304 0.3 . 1 . . . . 64 F CB . 18196 1 618 . 1 1 72 72 PHE N N 15 121.726 0.2 . 1 . . . . 64 F N . 18196 1 619 . 1 1 73 73 THR HA H 1 4.231 0.05 . 1 . . . . 65 T HA . 18196 1 620 . 1 1 73 73 THR C C 13 175.185 0.3 . 1 . . . . 65 T C . 18196 1 621 . 1 1 73 73 THR CA C 13 62.428 0.3 . 1 . . . . 65 T CA . 18196 1 622 . 1 1 73 73 THR CB C 13 69.485 0.3 . 1 . . . . 65 T CB . 18196 1 623 . 1 1 74 74 GLN H H 1 8.826 0.05 . 1 . . . . 66 Q HN . 18196 1 624 . 1 1 74 74 GLN HA H 1 4.275 0.05 . 1 . . . . 66 Q HA . 18196 1 625 . 1 1 74 74 GLN HB2 H 1 2.197 0.05 . 2 . . . . 66 Q HB1 . 18196 1 626 . 1 1 74 74 GLN HB3 H 1 1.939 0.05 . 2 . . . . 66 Q HB2 . 18196 1 627 . 1 1 74 74 GLN HG2 H 1 2.355 0.05 . 2 . . . . 66 Q HG1 . 18196 1 628 . 1 1 74 74 GLN HE21 H 1 7.445 0.05 . 2 . . . . 66 Q HE21 . 18196 1 629 . 1 1 74 74 GLN HE22 H 1 6.970 0.05 . 2 . . . . 66 Q HE22 . 18196 1 630 . 1 1 74 74 GLN C C 13 174.276 0.3 . 1 . . . . 66 Q C . 18196 1 631 . 1 1 74 74 GLN CA C 13 55.063 0.3 . 1 . . . . 66 Q CA . 18196 1 632 . 1 1 74 74 GLN CB C 13 27.976 0.3 . 1 . . . . 66 Q CB . 18196 1 633 . 1 1 74 74 GLN CG C 13 34.080 0.3 . 1 . . . . 66 Q CG . 18196 1 634 . 1 1 74 74 GLN CD C 13 180.404 0.3 . 1 . . . . 66 Q CD . 18196 1 635 . 1 1 74 74 GLN N N 15 124.432 0.2 . 1 . . . . 66 Q N . 18196 1 636 . 1 1 74 74 GLN NE2 N 15 113.790 0.2 . 1 . . . . 66 Q NE2 . 18196 1 637 . 1 1 75 75 ALA H H 1 7.419 0.05 . 1 . . . . 67 A HN . 18196 1 638 . 1 1 75 75 ALA HA H 1 4.360 0.05 . 1 . . . . 67 A HA . 18196 1 639 . 1 1 75 75 ALA HB1 H 1 1.228 0.05 . 1 . . . . 67 A HB1 . 18196 1 640 . 1 1 75 75 ALA HB2 H 1 1.228 0.05 . 1 . . . . 67 A HB1 . 18196 1 641 . 1 1 75 75 ALA HB3 H 1 1.228 0.05 . 1 . . . . 67 A HB1 . 18196 1 642 . 1 1 75 75 ALA C C 13 175.708 0.3 . 1 . . . . 67 A C . 18196 1 643 . 1 1 75 75 ALA CA C 13 51.560 0.3 . 1 . . . . 67 A CA . 18196 1 644 . 1 1 75 75 ALA CB C 13 20.589 0.3 . 1 . . . . 67 A CB . 18196 1 645 . 1 1 75 75 ALA N N 15 124.017 0.2 . 1 . . . . 67 A N . 18196 1 646 . 1 1 76 76 PHE H H 1 8.087 0.05 . 1 . . . . 68 F HN . 18196 1 647 . 1 1 76 76 PHE HA H 1 4.793 0.05 . 1 . . . . 68 F HA . 18196 1 648 . 1 1 76 76 PHE HB2 H 1 2.995 0.05 . 2 . . . . 68 F HB1 . 18196 1 649 . 1 1 76 76 PHE C C 13 175.902 0.3 . 1 . . . . 68 F C . 18196 1 650 . 1 1 76 76 PHE CA C 13 57.121 0.3 . 1 . . . . 68 F CA . 18196 1 651 . 1 1 76 76 PHE CB C 13 39.744 0.3 . 1 . . . . 68 F CB . 18196 1 652 . 1 1 76 76 PHE N N 15 120.456 0.2 . 1 . . . . 68 F N . 18196 1 653 . 1 1 77 77 GLN H H 1 8.308 0.05 . 1 . . . . 69 Q HN . 18196 1 654 . 1 1 77 77 GLN HA H 1 4.626 0.05 . 1 . . . . 69 Q HA . 18196 1 655 . 1 1 77 77 GLN HB2 H 1 2.130 0.05 . 2 . . . . 69 Q HB1 . 18196 1 656 . 1 1 77 77 GLN HB3 H 1 1.756 0.05 . 2 . . . . 69 Q HB2 . 18196 1 657 . 1 1 77 77 GLN HG2 H 1 2.036 0.05 . 2 . . . . 69 Q HG1 . 18196 1 658 . 1 1 77 77 GLN C C 13 173.748 0.3 . 1 . . . . 69 Q C . 18196 1 659 . 1 1 77 77 GLN CA C 13 54.610 0.3 . 1 . . . . 69 Q CA . 18196 1 660 . 1 1 77 77 GLN CB C 13 32.913 0.3 . 1 . . . . 69 Q CB . 18196 1 661 . 1 1 77 77 GLN CG C 13 36.497 0.3 . 1 . . . . 69 Q CG . 18196 1 662 . 1 1 77 77 GLN N N 15 119.245 0.2 . 1 . . . . 69 Q N . 18196 1 663 . 1 1 78 78 ASN H H 1 8.705 0.05 . 1 . . . . 70 N HN . 18196 1 664 . 1 1 78 78 ASN HA H 1 5.675 0.05 . 1 . . . . 70 N HA . 18196 1 665 . 1 1 78 78 ASN HB2 H 1 2.765 0.05 . 2 . . . . 70 N HB2 . 18196 1 666 . 1 1 78 78 ASN HD21 H 1 7.597 0.05 . 2 . . . . 70 N HD21 . 18196 1 667 . 1 1 78 78 ASN HD22 H 1 6.810 0.05 . 2 . . . . 70 N HD22 . 18196 1 668 . 1 1 78 78 ASN C C 13 173.818 0.3 . 1 . . . . 70 N C . 18196 1 669 . 1 1 78 78 ASN CA C 13 52.595 0.3 . 1 . . . . 70 N CA . 18196 1 670 . 1 1 78 78 ASN CB C 13 41.595 0.3 . 1 . . . . 70 N CB . 18196 1 671 . 1 1 78 78 ASN CG C 13 176.545 0.3 . 1 . . . . 70 N CG . 18196 1 672 . 1 1 78 78 ASN N N 15 118.970 0.2 . 1 . . . . 70 N N . 18196 1 673 . 1 1 78 78 ASN ND2 N 15 112.333 0.2 . 1 . . . . 70 N ND2 . 18196 1 674 . 1 1 79 79 LEU H H 1 8.861 0.05 . 1 . . . . 71 L HN . 18196 1 675 . 1 1 79 79 LEU HA H 1 4.686 0.05 . 1 . . . . 71 L HA . 18196 1 676 . 1 1 79 79 LEU HB2 H 1 1.756 0.05 . 2 . . . . 71 L HB1 . 18196 1 677 . 1 1 79 79 LEU HG H 1 1.366 0.05 . 1 . . . . 71 L HG . 18196 1 678 . 1 1 79 79 LEU HD11 H 1 0.670 0.05 . 2 . . . . 71 L HD11 . 18196 1 679 . 1 1 79 79 LEU HD12 H 1 0.670 0.05 . 2 . . . . 71 L HD11 . 18196 1 680 . 1 1 79 79 LEU HD13 H 1 0.670 0.05 . 2 . . . . 71 L HD11 . 18196 1 681 . 1 1 79 79 LEU HD21 H 1 0.426 0.05 . 2 . . . . 71 L HD21 . 18196 1 682 . 1 1 79 79 LEU HD22 H 1 0.426 0.05 . 2 . . . . 71 L HD21 . 18196 1 683 . 1 1 79 79 LEU HD23 H 1 0.426 0.05 . 2 . . . . 71 L HD21 . 18196 1 684 . 1 1 79 79 LEU C C 13 174.401 0.3 . 1 . . . . 71 L C . 18196 1 685 . 1 1 79 79 LEU CA C 13 54.986 0.3 . 1 . . . . 71 L CA . 18196 1 686 . 1 1 79 79 LEU CB C 13 47.366 0.3 . 1 . . . . 71 L CB . 18196 1 687 . 1 1 79 79 LEU CG C 13 27.992 0.3 . 1 . . . . 71 L CG . 18196 1 688 . 1 1 79 79 LEU CD1 C 13 25.823 0.3 . 2 . . . . 71 L CD1 . 18196 1 689 . 1 1 79 79 LEU CD2 C 13 23.580 0.3 . 2 . . . . 71 L CD2 . 18196 1 690 . 1 1 79 79 LEU N N 15 122.882 0.2 . 1 . . . . 71 L N . 18196 1 691 . 1 1 80 80 THR H H 1 9.105 0.05 . 1 . . . . 72 T HN . 18196 1 692 . 1 1 80 80 THR HA H 1 5.093 0.05 . 1 . . . . 72 T HA . 18196 1 693 . 1 1 80 80 THR HB H 1 3.936 0.05 . 1 . . . . 72 T HB . 18196 1 694 . 1 1 80 80 THR C C 13 173.413 0.3 . 1 . . . . 72 T C . 18196 1 695 . 1 1 80 80 THR CA C 13 62.194 0.3 . 1 . . . . 72 T CA . 18196 1 696 . 1 1 80 80 THR CB C 13 69.845 0.3 . 1 . . . . 72 T CB . 18196 1 697 . 1 1 80 80 THR N N 15 124.701 0.2 . 1 . . . . 72 T N . 18196 1 698 . 1 1 81 81 LEU H H 1 9.071 0.05 . 1 . . . . 73 L HN . 18196 1 699 . 1 1 81 81 LEU HA H 1 4.895 0.05 . 1 . . . . 73 L HA . 18196 1 700 . 1 1 81 81 LEU HB2 H 1 1.816 0.05 . 2 . . . . 73 L HB1 . 18196 1 701 . 1 1 81 81 LEU HB3 H 1 1.472 0.05 . 2 . . . . 73 L HB2 . 18196 1 702 . 1 1 81 81 LEU HG H 1 1.604 0.05 . 1 . . . . 73 L HG . 18196 1 703 . 1 1 81 81 LEU HD11 H 1 0.850 0.05 . 2 . . . . 73 L HD11 . 18196 1 704 . 1 1 81 81 LEU HD12 H 1 0.850 0.05 . 2 . . . . 73 L HD11 . 18196 1 705 . 1 1 81 81 LEU HD13 H 1 0.850 0.05 . 2 . . . . 73 L HD11 . 18196 1 706 . 1 1 81 81 LEU C C 13 176.897 0.3 . 1 . . . . 73 L C . 18196 1 707 . 1 1 81 81 LEU CA C 13 52.658 0.3 . 1 . . . . 73 L CA . 18196 1 708 . 1 1 81 81 LEU CB C 13 44.688 0.3 . 1 . . . . 73 L CB . 18196 1 709 . 1 1 81 81 LEU CD1 C 13 27.473 0.3 . 2 . . . . 73 L CD1 . 18196 1 710 . 1 1 81 81 LEU CD2 C 13 25.745 0.3 . 2 . . . . 73 L CD2 . 18196 1 711 . 1 1 81 81 LEU N N 15 128.204 0.2 . 1 . . . . 73 L N . 18196 1 712 . 1 1 82 82 GLU H H 1 9.471 0.05 . 1 . . . . 74 E HN . 18196 1 713 . 1 1 82 82 GLU HA H 1 3.993 0.05 . 1 . . . . 74 E HA . 18196 1 714 . 1 1 82 82 GLU HB2 H 1 2.106 0.05 . 2 . . . . 74 E HB1 . 18196 1 715 . 1 1 82 82 GLU HB3 H 1 1.750 0.05 . 2 . . . . 74 E HB2 . 18196 1 716 . 1 1 82 82 GLU HG2 H 1 2.397 0.05 . 2 . . . . 74 E HG1 . 18196 1 717 . 1 1 82 82 GLU C C 13 176.221 0.3 . 1 . . . . 74 E C . 18196 1 718 . 1 1 82 82 GLU CA C 13 56.309 0.3 . 1 . . . . 74 E CA . 18196 1 719 . 1 1 82 82 GLU CB C 13 29.567 0.3 . 1 . . . . 74 E CB . 18196 1 720 . 1 1 82 82 GLU CG C 13 36.165 0.3 . 1 . . . . 74 E CG . 18196 1 721 . 1 1 82 82 GLU N N 15 127.367 0.2 . 1 . . . . 74 E N . 18196 1 722 . 1 1 83 83 SER H H 1 8.969 0.05 . 1 . . . . 75 S HN . 18196 1 723 . 1 1 83 83 SER HA H 1 3.599 0.05 . 1 . . . . 75 S HA . 18196 1 724 . 1 1 83 83 SER HB2 H 1 3.397 0.05 . 2 . . . . 75 S HB1 . 18196 1 725 . 1 1 83 83 SER CA C 13 60.443 0.3 . 1 . . . . 75 S CA . 18196 1 726 . 1 1 83 83 SER CB C 13 62.765 0.3 . 1 . . . . 75 S CB . 18196 1 727 . 1 1 83 83 SER N N 15 115.507 0.2 . 1 . . . . 75 S N . 18196 1 728 . 1 1 84 84 GLY H H 1 8.301 0.05 . 1 . . . . 76 G HN . 18196 1 729 . 1 1 84 84 GLY HA2 H 1 4.208 0.05 . 2 . . . . 76 G HA1 . 18196 1 730 . 1 1 84 84 GLY HA3 H 1 3.762 0.05 . 2 . . . . 76 G HA2 . 18196 1 731 . 1 1 84 84 GLY C C 13 173.810 0.3 . 1 . . . . 76 G C . 18196 1 732 . 1 1 84 84 GLY CA C 13 46.042 0.3 . 1 . . . . 76 G CA . 18196 1 733 . 1 1 84 84 GLY N N 15 117.431 0.2 . 1 . . . . 76 G N . 18196 1 734 . 1 1 85 85 GLU H H 1 8.153 0.05 . 1 . . . . 77 E HN . 18196 1 735 . 1 1 85 85 GLU HA H 1 4.447 0.05 . 1 . . . . 77 E HA . 18196 1 736 . 1 1 85 85 GLU HB2 H 1 2.120 0.05 . 2 . . . . 77 E HB1 . 18196 1 737 . 1 1 85 85 GLU HG2 H 1 2.336 0.05 . 2 . . . . 77 E HG1 . 18196 1 738 . 1 1 85 85 GLU C C 13 174.965 0.3 . 1 . . . . 77 E C . 18196 1 739 . 1 1 85 85 GLU CA C 13 56.398 0.3 . 1 . . . . 77 E CA . 18196 1 740 . 1 1 85 85 GLU CB C 13 31.830 0.3 . 1 . . . . 77 E CB . 18196 1 741 . 1 1 85 85 GLU CG C 13 37.577 0.3 . 1 . . . . 77 E CG . 18196 1 742 . 1 1 85 85 GLU N N 15 121.565 0.2 . 1 . . . . 77 E N . 18196 1 743 . 1 1 86 86 THR H H 1 8.177 0.05 . 1 . . . . 78 T HN . 18196 1 744 . 1 1 86 86 THR HA H 1 5.495 0.05 . 1 . . . . 78 T HA . 18196 1 745 . 1 1 86 86 THR HB H 1 3.936 0.05 . 1 . . . . 78 T HB . 18196 1 746 . 1 1 86 86 THR C C 13 174.124 0.3 . 1 . . . . 78 T C . 18196 1 747 . 1 1 86 86 THR CA C 13 60.026 0.3 . 1 . . . . 78 T CA . 18196 1 748 . 1 1 86 86 THR CB C 13 71.134 0.3 . 1 . . . . 78 T CB . 18196 1 749 . 1 1 86 86 THR N N 15 112.739 0.2 . 1 . . . . 78 T N . 18196 1 750 . 1 1 87 87 TYR H H 1 9.372 0.05 . 1 . . . . 79 Y HN . 18196 1 751 . 1 1 87 87 TYR HA H 1 4.910 0.05 . 1 . . . . 79 Y HA . 18196 1 752 . 1 1 87 87 TYR HB2 H 1 2.861 0.05 . 2 . . . . 79 Y HB1 . 18196 1 753 . 1 1 87 87 TYR C C 13 173.065 0.3 . 1 . . . . 79 Y C . 18196 1 754 . 1 1 87 87 TYR CA C 13 57.041 0.3 . 1 . . . . 79 Y CA . 18196 1 755 . 1 1 87 87 TYR CB C 13 41.342 0.3 . 1 . . . . 79 Y CB . 18196 1 756 . 1 1 87 87 TYR N N 15 125.978 0.2 . 1 . . . . 79 Y N . 18196 1 757 . 1 1 88 88 ASP H H 1 8.186 0.05 . 1 . . . . 80 D HN . 18196 1 758 . 1 1 88 88 ASP HA H 1 5.355 0.05 . 1 . . . . 80 D HA . 18196 1 759 . 1 1 88 88 ASP HB2 H 1 2.500 0.05 . 2 . . . . 80 D HB1 . 18196 1 760 . 1 1 88 88 ASP HB3 H 1 2.355 0.05 . 2 . . . . 80 D HB2 . 18196 1 761 . 1 1 88 88 ASP C C 13 174.534 0.3 . 1 . . . . 80 D C . 18196 1 762 . 1 1 88 88 ASP CA C 13 52.987 0.3 . 1 . . . . 80 D CA . 18196 1 763 . 1 1 88 88 ASP CB C 13 42.442 0.3 . 1 . . . . 80 D CB . 18196 1 764 . 1 1 88 88 ASP N N 15 128.946 0.2 . 1 . . . . 80 D N . 18196 1 765 . 1 1 89 89 PHE H H 1 8.170 0.05 . 1 . . . . 81 F HN . 18196 1 766 . 1 1 89 89 PHE HA H 1 4.706 0.05 . 1 . . . . 81 F HA . 18196 1 767 . 1 1 89 89 PHE HB2 H 1 2.876 0.05 . 2 . . . . 81 F HB1 . 18196 1 768 . 1 1 89 89 PHE HB3 H 1 2.746 0.05 . 2 . . . . 81 F HB2 . 18196 1 769 . 1 1 89 89 PHE HD1 H 1 6.121 0.05 . 3 . . . . 81 F HD1 . 18196 1 770 . 1 1 89 89 PHE HE1 H 1 6.319 0.05 . 3 . . . . 81 F HE1 . 18196 1 771 . 1 1 89 89 PHE C C 13 172.747 0.3 . 1 . . . . 81 F C . 18196 1 772 . 1 1 89 89 PHE CA C 13 55.677 0.3 . 1 . . . . 81 F CA . 18196 1 773 . 1 1 89 89 PHE CB C 13 39.122 0.3 . 1 . . . . 81 F CB . 18196 1 774 . 1 1 89 89 PHE N N 15 117.090 0.2 . 1 . . . . 81 F N . 18196 1 775 . 1 1 90 90 SER H H 1 8.419 0.05 . 1 . . . . 82 S HN . 18196 1 776 . 1 1 90 90 SER HA H 1 5.452 0.05 . 1 . . . . 82 S HA . 18196 1 777 . 1 1 90 90 SER HB2 H 1 3.755 0.05 . 2 . . . . 82 S HB1 . 18196 1 778 . 1 1 90 90 SER C C 13 172.663 0.3 . 1 . . . . 82 S C . 18196 1 779 . 1 1 90 90 SER CA C 13 57.089 0.3 . 1 . . . . 82 S CA . 18196 1 780 . 1 1 90 90 SER CB C 13 67.173 0.3 . 1 . . . . 82 S CB . 18196 1 781 . 1 1 90 90 SER N N 15 113.358 0.2 . 1 . . . . 82 S N . 18196 1 782 . 1 1 91 91 ASP H H 1 8.932 0.05 . 1 . . . . 83 D HN . 18196 1 783 . 1 1 91 91 ASP HA H 1 5.197 0.05 . 1 . . . . 83 D HA . 18196 1 784 . 1 1 91 91 ASP HB2 H 1 2.802 0.05 . 2 . . . . 83 D HB1 . 18196 1 785 . 1 1 91 91 ASP HB3 H 1 2.471 0.05 . 2 . . . . 83 D HB2 . 18196 1 786 . 1 1 91 91 ASP C C 13 173.710 0.3 . 1 . . . . 83 D C . 18196 1 787 . 1 1 91 91 ASP CA C 13 54.342 0.3 . 1 . . . . 83 D CA . 18196 1 788 . 1 1 91 91 ASP CB C 13 46.744 0.3 . 1 . . . . 83 D CB . 18196 1 789 . 1 1 91 91 ASP N N 15 117.959 0.2 . 1 . . . . 83 D N . 18196 1 790 . 1 1 92 92 VAL H H 1 7.890 0.05 . 1 . . . . 84 V HN . 18196 1 791 . 1 1 92 92 VAL HA H 1 4.813 0.05 . 1 . . . . 84 V HA . 18196 1 792 . 1 1 92 92 VAL HB H 1 1.770 0.05 . 1 . . . . 84 V HB . 18196 1 793 . 1 1 92 92 VAL HG11 H 1 0.633 0.05 . 2 . . . . 84 V HG11 . 18196 1 794 . 1 1 92 92 VAL HG12 H 1 0.633 0.05 . 2 . . . . 84 V HG11 . 18196 1 795 . 1 1 92 92 VAL HG13 H 1 0.633 0.05 . 2 . . . . 84 V HG11 . 18196 1 796 . 1 1 92 92 VAL HG21 H 1 0.780 0.05 . 2 . . . . 84 V HG21 . 18196 1 797 . 1 1 92 92 VAL HG22 H 1 0.780 0.05 . 2 . . . . 84 V HG21 . 18196 1 798 . 1 1 92 92 VAL HG23 H 1 0.780 0.05 . 2 . . . . 84 V HG21 . 18196 1 799 . 1 1 92 92 VAL C C 13 172.938 0.3 . 1 . . . . 84 V C . 18196 1 800 . 1 1 92 92 VAL CA C 13 60.468 0.3 . 1 . . . . 84 V CA . 18196 1 801 . 1 1 92 92 VAL CB C 13 35.327 0.3 . 1 . . . . 84 V CB . 18196 1 802 . 1 1 92 92 VAL CG1 C 13 20.743 0.3 . 2 . . . . 84 V CG1 . 18196 1 803 . 1 1 92 92 VAL CG2 C 13 22.761 0.3 . 2 . . . . 84 V CG2 . 18196 1 804 . 1 1 92 92 VAL N N 15 118.150 0.2 . 1 . . . . 84 V N . 18196 1 805 . 1 1 93 93 TRP H H 1 9.055 0.05 . 1 . . . . 85 W HN . 18196 1 806 . 1 1 93 93 TRP HA H 1 4.597 0.05 . 1 . . . . 85 W HA . 18196 1 807 . 1 1 93 93 TRP HB2 H 1 3.243 0.05 . 2 . . . . 85 W HB1 . 18196 1 808 . 1 1 93 93 TRP HE1 H 1 10.265 0.05 . 1 . . . . 85 W HE1 . 18196 1 809 . 1 1 93 93 TRP HZ2 H 1 7.269 0.05 . 1 . . . . 85 W HZ2 . 18196 1 810 . 1 1 93 93 TRP HH2 H 1 6.481 0.05 . 1 . . . . 85 W HH2 . 18196 1 811 . 1 1 93 93 TRP C C 13 175.802 0.3 . 1 . . . . 85 W C . 18196 1 812 . 1 1 93 93 TRP CA C 13 52.708 0.3 . 1 . . . . 85 W CA . 18196 1 813 . 1 1 93 93 TRP CB C 13 30.867 0.3 . 1 . . . . 85 W CB . 18196 1 814 . 1 1 93 93 TRP N N 15 127.311 0.2 . 1 . . . . 85 W N . 18196 1 815 . 1 1 93 93 TRP NE1 N 15 129.448 0.2 . 1 . . . . 85 W NE1 . 18196 1 816 . 1 1 94 94 LYS H H 1 8.991 0.05 . 1 . . . . 86 K HN . 18196 1 817 . 1 1 94 94 LYS HA H 1 4.168 0.05 . 1 . . . . 86 K HA . 18196 1 818 . 1 1 94 94 LYS HB2 H 1 2.065 0.05 . 2 . . . . 86 K HB1 . 18196 1 819 . 1 1 94 94 LYS HB3 H 1 1.710 0.05 . 2 . . . . 86 K HB2 . 18196 1 820 . 1 1 94 94 LYS HG2 H 1 1.414 0.05 . 2 . . . . 86 K HG1 . 18196 1 821 . 1 1 94 94 LYS C C 13 174.483 0.3 . 1 . . . . 86 K C . 18196 1 822 . 1 1 94 94 LYS CA C 13 56.567 0.3 . 1 . . . . 86 K CA . 18196 1 823 . 1 1 94 94 LYS CB C 13 30.593 0.3 . 1 . . . . 86 K CB . 18196 1 824 . 1 1 94 94 LYS CG C 13 25.685 0.3 . 1 . . . . 86 K CG . 18196 1 825 . 1 1 94 94 LYS CD C 13 29.538 0.3 . 1 . . . . 86 K CD . 18196 1 826 . 1 1 94 94 LYS N N 15 128.911 0.2 . 1 . . . . 86 K N . 18196 1 827 . 1 1 95 95 GLU H H 1 7.095 0.05 . 1 . . . . 87 E HN . 18196 1 828 . 1 1 95 95 GLU HA H 1 4.050 0.05 . 1 . . . . 87 E HA . 18196 1 829 . 1 1 95 95 GLU HB2 H 1 1.375 0.05 . 2 . . . . 87 E HB1 . 18196 1 830 . 1 1 95 95 GLU HG2 H 1 1.764 0.05 . 2 . . . . 87 E HG1 . 18196 1 831 . 1 1 95 95 GLU C C 13 172.329 0.3 . 1 . . . . 87 E C . 18196 1 832 . 1 1 95 95 GLU CA C 13 54.621 0.3 . 1 . . . . 87 E CA . 18196 1 833 . 1 1 95 95 GLU CB C 13 31.771 0.3 . 1 . . . . 87 E CB . 18196 1 834 . 1 1 95 95 GLU CG C 13 36.446 0.3 . 1 . . . . 87 E CG . 18196 1 835 . 1 1 95 95 GLU N N 15 121.622 0.2 . 1 . . . . 87 E N . 18196 1 836 . 1 1 96 96 VAL H H 1 7.467 0.05 . 1 . . . . 88 V HN . 18196 1 837 . 1 1 96 96 VAL HA H 1 3.455 0.05 . 1 . . . . 88 V HA . 18196 1 838 . 1 1 96 96 VAL C C 13 174.918 0.3 . 1 . . . . 88 V C . 18196 1 839 . 1 1 96 96 VAL CA C 13 59.531 0.3 . 1 . . . . 88 V CA . 18196 1 840 . 1 1 96 96 VAL CB C 13 31.956 0.3 . 1 . . . . 88 V CB . 18196 1 841 . 1 1 96 96 VAL N N 15 119.895 0.2 . 1 . . . . 88 V N . 18196 1 842 . 1 1 97 97 PRO HA H 1 4.486 0.05 . 1 . . . . 89 P HA . 18196 1 843 . 1 1 97 97 PRO HB2 H 1 2.531 0.05 . 2 . . . . 89 P HB1 . 18196 1 844 . 1 1 97 97 PRO HB3 H 1 1.741 0.05 . 2 . . . . 89 P HB2 . 18196 1 845 . 1 1 97 97 PRO HG2 H 1 1.041 0.05 . 2 . . . . 89 P HG1 . 18196 1 846 . 1 1 97 97 PRO C C 13 172.830 0.3 . 1 . . . . 89 P C . 18196 1 847 . 1 1 97 97 PRO CA C 13 62.024 0.3 . 1 . . . . 89 P CA . 18196 1 848 . 1 1 97 97 PRO CB C 13 31.634 0.3 . 1 . . . . 89 P CB . 18196 1 849 . 1 1 97 97 PRO CG C 13 27.180 0.3 . 1 . . . . 89 P CG . 18196 1 850 . 1 1 97 97 PRO CD C 13 49.070 0.3 . 1 . . . . 89 P CD . 18196 1 851 . 1 1 98 98 GLU H H 1 9.459 0.05 . 1 . . . . 90 E HN . 18196 1 852 . 1 1 98 98 GLU HA H 1 4.413 0.05 . 1 . . . . 90 E HA . 18196 1 853 . 1 1 98 98 GLU C C 13 173.976 0.3 . 1 . . . . 90 E C . 18196 1 854 . 1 1 98 98 GLU CA C 13 54.931 0.3 . 1 . . . . 90 E CA . 18196 1 855 . 1 1 98 98 GLU CB C 13 26.124 0.3 . 1 . . . . 90 E CB . 18196 1 856 . 1 1 98 98 GLU N N 15 117.504 0.2 . 1 . . . . 90 E N . 18196 1 857 . 1 1 99 99 PRO HA H 1 4.210 0.05 . 1 . . . . 91 P HA . 18196 1 858 . 1 1 99 99 PRO HB2 H 1 2.271 0.05 . 2 . . . . 91 P HB1 . 18196 1 859 . 1 1 99 99 PRO HB3 H 1 1.821 0.05 . 2 . . . . 91 P HB2 . 18196 1 860 . 1 1 99 99 PRO C C 13 176.827 0.3 . 1 . . . . 91 P C . 18196 1 861 . 1 1 99 99 PRO CA C 13 63.808 0.3 . 1 . . . . 91 P CA . 18196 1 862 . 1 1 99 99 PRO CB C 13 32.085 0.3 . 1 . . . . 91 P CB . 18196 1 863 . 1 1 100 100 GLY H H 1 8.662 0.05 . 1 . . . . 92 G HN . 18196 1 864 . 1 1 100 100 GLY HA2 H 1 4.164 0.05 . 2 . . . . 92 G HA1 . 18196 1 865 . 1 1 100 100 GLY HA3 H 1 4.005 0.05 . 2 . . . . 92 G HA2 . 18196 1 866 . 1 1 100 100 GLY C C 13 171.038 0.3 . 1 . . . . 92 G C . 18196 1 867 . 1 1 100 100 GLY CA C 13 44.898 0.3 . 1 . . . . 92 G CA . 18196 1 868 . 1 1 100 100 GLY N N 15 109.710 0.2 . 1 . . . . 92 G N . 18196 1 869 . 1 1 101 101 THR H H 1 8.359 0.05 . 1 . . . . 93 T HN . 18196 1 870 . 1 1 101 101 THR HA H 1 4.761 0.05 . 1 . . . . 93 T HA . 18196 1 871 . 1 1 101 101 THR HB H 1 3.725 0.05 . 1 . . . . 93 T HB . 18196 1 872 . 1 1 101 101 THR C C 13 173.753 0.3 . 1 . . . . 93 T C . 18196 1 873 . 1 1 101 101 THR CA C 13 62.600 0.3 . 1 . . . . 93 T CA . 18196 1 874 . 1 1 101 101 THR CB C 13 69.582 0.3 . 1 . . . . 93 T CB . 18196 1 875 . 1 1 101 101 THR N N 15 116.479 0.2 . 1 . . . . 93 T N . 18196 1 876 . 1 1 102 102 TYR H H 1 9.035 0.05 . 1 . . . . 94 Y HN . 18196 1 877 . 1 1 102 102 TYR HA H 1 4.602 0.05 . 1 . . . . 94 Y HA . 18196 1 878 . 1 1 102 102 TYR HB2 H 1 2.446 0.05 . 2 . . . . 94 Y HB1 . 18196 1 879 . 1 1 102 102 TYR C C 13 173.218 0.3 . 1 . . . . 94 Y C . 18196 1 880 . 1 1 102 102 TYR CA C 13 56.501 0.3 . 1 . . . . 94 Y CA . 18196 1 881 . 1 1 102 102 TYR CB C 13 42.810 0.3 . 1 . . . . 94 Y CB . 18196 1 882 . 1 1 102 102 TYR N N 15 127.902 0.2 . 1 . . . . 94 Y N . 18196 1 883 . 1 1 103 103 GLU H H 1 8.998 0.05 . 1 . . . . 95 E HN . 18196 1 884 . 1 1 103 103 GLU HA H 1 5.299 0.05 . 1 . . . . 95 E HA . 18196 1 885 . 1 1 103 103 GLU HB2 H 1 1.975 0.05 . 2 . . . . 95 E HB1 . 18196 1 886 . 1 1 103 103 GLU HG2 H 1 2.408 0.05 . 2 . . . . 95 E HG1 . 18196 1 887 . 1 1 103 103 GLU C C 13 174.412 0.3 . 1 . . . . 95 E C . 18196 1 888 . 1 1 103 103 GLU CA C 13 55.047 0.3 . 1 . . . . 95 E CA . 18196 1 889 . 1 1 103 103 GLU CB C 13 34.302 0.3 . 1 . . . . 95 E CB . 18196 1 890 . 1 1 103 103 GLU CG C 13 37.941 0.3 . 1 . . . . 95 E CG . 18196 1 891 . 1 1 103 103 GLU N N 15 118.674 0.2 . 1 . . . . 95 E N . 18196 1 892 . 1 1 104 104 VAL H H 1 9.420 0.05 . 1 . . . . 96 V HN . 18196 1 893 . 1 1 104 104 VAL HA H 1 5.574 0.05 . 1 . . . . 96 V HA . 18196 1 894 . 1 1 104 104 VAL HG11 H 1 0.245 0.05 . 2 . . . . 96 V HG11 . 18196 1 895 . 1 1 104 104 VAL HG12 H 1 0.245 0.05 . 2 . . . . 96 V HG11 . 18196 1 896 . 1 1 104 104 VAL HG13 H 1 0.245 0.05 . 2 . . . . 96 V HG11 . 18196 1 897 . 1 1 104 104 VAL HG21 H 1 1.110 0.05 . 2 . . . . 96 V HG21 . 18196 1 898 . 1 1 104 104 VAL HG22 H 1 1.110 0.05 . 2 . . . . 96 V HG21 . 18196 1 899 . 1 1 104 104 VAL HG23 H 1 1.110 0.05 . 2 . . . . 96 V HG21 . 18196 1 900 . 1 1 104 104 VAL C C 13 171.909 0.3 . 1 . . . . 96 V C . 18196 1 901 . 1 1 104 104 VAL CA C 13 57.629 0.3 . 1 . . . . 96 V CA . 18196 1 902 . 1 1 104 104 VAL CB C 13 34.970 0.3 . 1 . . . . 96 V CB . 18196 1 903 . 1 1 104 104 VAL CG1 C 13 22.451 0.3 . 2 . . . . 96 V CG1 . 18196 1 904 . 1 1 104 104 VAL CG2 C 13 20.006 0.3 . 2 . . . . 96 V CG2 . 18196 1 905 . 1 1 104 104 VAL N N 15 123.357 0.2 . 1 . . . . 96 V N . 18196 1 906 . 1 1 105 105 LYS H H 1 9.264 0.05 . 1 . . . . 97 K HN . 18196 1 907 . 1 1 105 105 LYS HA H 1 5.315 0.05 . 1 . . . . 97 K HA . 18196 1 908 . 1 1 105 105 LYS HB2 H 1 1.866 0.05 . 2 . . . . 97 K HB1 . 18196 1 909 . 1 1 105 105 LYS HG2 H 1 1.186 0.05 . 2 . . . . 97 K HG1 . 18196 1 910 . 1 1 105 105 LYS HD2 H 1 1.643 0.05 . 2 . . . . 97 K HD1 . 18196 1 911 . 1 1 105 105 LYS HE2 H 1 2.749 0.05 . 2 . . . . 97 K HE1 . 18196 1 912 . 1 1 105 105 LYS C C 13 176.402 0.3 . 1 . . . . 97 K C . 18196 1 913 . 1 1 105 105 LYS CA C 13 54.465 0.3 . 1 . . . . 97 K CA . 18196 1 914 . 1 1 105 105 LYS CB C 13 35.844 0.3 . 1 . . . . 97 K CB . 18196 1 915 . 1 1 105 105 LYS CG C 13 25.264 0.3 . 1 . . . . 97 K CG . 18196 1 916 . 1 1 105 105 LYS CD C 13 30.126 0.3 . 1 . . . . 97 K CD . 18196 1 917 . 1 1 105 105 LYS CE C 13 42.338 0.3 . 1 . . . . 97 K CE . 18196 1 918 . 1 1 105 105 LYS N N 15 127.829 0.2 . 1 . . . . 97 K N . 18196 1 919 . 1 1 106 106 VAL H H 1 9.234 0.05 . 1 . . . . 98 V HN . 18196 1 920 . 1 1 106 106 VAL HA H 1 5.228 0.05 . 1 . . . . 98 V HA . 18196 1 921 . 1 1 106 106 VAL HB H 1 1.748 0.05 . 1 . . . . 98 V HB . 18196 1 922 . 1 1 106 106 VAL HG11 H 1 1.049 0.05 . 2 . . . . 98 V HG11 . 18196 1 923 . 1 1 106 106 VAL HG12 H 1 1.049 0.05 . 2 . . . . 98 V HG11 . 18196 1 924 . 1 1 106 106 VAL HG13 H 1 1.049 0.05 . 2 . . . . 98 V HG11 . 18196 1 925 . 1 1 106 106 VAL HG21 H 1 0.846 0.05 . 2 . . . . 98 V HG21 . 18196 1 926 . 1 1 106 106 VAL HG22 H 1 0.846 0.05 . 2 . . . . 98 V HG21 . 18196 1 927 . 1 1 106 106 VAL HG23 H 1 0.846 0.05 . 2 . . . . 98 V HG21 . 18196 1 928 . 1 1 106 106 VAL C C 13 174.217 0.3 . 1 . . . . 98 V C . 18196 1 929 . 1 1 106 106 VAL CA C 13 60.487 0.3 . 1 . . . . 98 V CA . 18196 1 930 . 1 1 106 106 VAL CB C 13 34.585 0.3 . 1 . . . . 98 V CB . 18196 1 931 . 1 1 106 106 VAL CG1 C 13 22.417 0.3 . 2 . . . . 98 V CG1 . 18196 1 932 . 1 1 106 106 VAL N N 15 128.063 0.2 . 1 . . . . 98 V N . 18196 1 933 . 1 1 107 107 THR H H 1 8.895 0.05 . 1 . . . . 99 T HN . 18196 1 934 . 1 1 107 107 THR HA H 1 4.771 0.05 . 1 . . . . 99 T HA . 18196 1 935 . 1 1 107 107 THR C C 13 174.074 0.3 . 1 . . . . 99 T C . 18196 1 936 . 1 1 107 107 THR CA C 13 60.760 0.3 . 1 . . . . 99 T CA . 18196 1 937 . 1 1 107 107 THR CB C 13 71.032 0.3 . 1 . . . . 99 T CB . 18196 1 938 . 1 1 107 107 THR N N 15 122.262 0.2 . 1 . . . . 99 T N . 18196 1 939 . 1 1 108 108 PHE H H 1 9.355 0.05 . 1 . . . . 100 F HN . 18196 1 940 . 1 1 108 108 PHE HA H 1 4.763 0.05 . 1 . . . . 100 F HA . 18196 1 941 . 1 1 108 108 PHE HB2 H 1 3.091 0.05 . 2 . . . . 100 F HB1 . 18196 1 942 . 1 1 108 108 PHE HB3 H 1 2.770 0.05 . 2 . . . . 100 F HB2 . 18196 1 943 . 1 1 108 108 PHE HD1 H 1 7.036 0.05 . 3 . . . . 100 F HD1 . 18196 1 944 . 1 1 108 108 PHE HE1 H 1 6.488 0.05 . 3 . . . . 100 F HE1 . 18196 1 945 . 1 1 108 108 PHE C C 13 176.097 0.3 . 1 . . . . 100 F C . 18196 1 946 . 1 1 108 108 PHE CA C 13 58.553 0.3 . 1 . . . . 100 F CA . 18196 1 947 . 1 1 108 108 PHE CB C 13 40.355 0.3 . 1 . . . . 100 F CB . 18196 1 948 . 1 1 108 108 PHE N N 15 129.258 0.2 . 1 . . . . 100 F N . 18196 1 949 . 1 1 109 109 LYS H H 1 8.153 0.05 . 1 . . . . 101 K HN . 18196 1 950 . 1 1 109 109 LYS HA H 1 4.152 0.05 . 1 . . . . 101 K HA . 18196 1 951 . 1 1 109 109 LYS HB2 H 1 1.796 0.05 . 2 . . . . 101 K HB1 . 18196 1 952 . 1 1 109 109 LYS HB3 H 1 1.289 0.05 . 2 . . . . 101 K HB2 . 18196 1 953 . 1 1 109 109 LYS HG2 H 1 0.767 0.05 . 2 . . . . 101 K HG1 . 18196 1 954 . 1 1 109 109 LYS C C 13 176.157 0.3 . 1 . . . . 101 K C . 18196 1 955 . 1 1 109 109 LYS CA C 13 55.544 0.3 . 1 . . . . 101 K CA . 18196 1 956 . 1 1 109 109 LYS CB C 13 30.486 0.3 . 1 . . . . 101 K CB . 18196 1 957 . 1 1 109 109 LYS CG C 13 24.387 0.3 . 1 . . . . 101 K CG . 18196 1 958 . 1 1 109 109 LYS CD C 13 27.456 0.3 . 1 . . . . 101 K CD . 18196 1 959 . 1 1 109 109 LYS N N 15 124.689 0.2 . 1 . . . . 101 K N . 18196 1 960 . 1 1 110 110 GLY H H 1 6.078 0.05 . 1 . . . . 102 G HN . 18196 1 961 . 1 1 110 110 GLY HA2 H 1 2.923 0.05 . 2 . . . . 102 G HA1 . 18196 1 962 . 1 1 110 110 GLY C C 13 171.562 0.3 . 1 . . . . 102 G C . 18196 1 963 . 1 1 110 110 GLY CA C 13 45.395 0.3 . 1 . . . . 102 G CA . 18196 1 964 . 1 1 110 110 GLY N N 15 105.894 0.2 . 1 . . . . 102 G N . 18196 1 965 . 1 1 111 111 ARG H H 1 8.882 0.05 . 1 . . . . 103 R HN . 18196 1 966 . 1 1 111 111 ARG HA H 1 4.832 0.05 . 1 . . . . 103 R HA . 18196 1 967 . 1 1 111 111 ARG HB2 H 1 1.697 0.05 . 2 . . . . 103 R HB1 . 18196 1 968 . 1 1 111 111 ARG HG2 H 1 1.166 0.05 . 2 . . . . 103 R HG1 . 18196 1 969 . 1 1 111 111 ARG HD2 H 1 3.122 0.05 . 2 . . . . 103 R HD1 . 18196 1 970 . 1 1 111 111 ARG C C 13 174.967 0.3 . 1 . . . . 103 R C . 18196 1 971 . 1 1 111 111 ARG CA C 13 54.551 0.3 . 1 . . . . 103 R CA . 18196 1 972 . 1 1 111 111 ARG CB C 13 32.314 0.3 . 1 . . . . 103 R CB . 18196 1 973 . 1 1 111 111 ARG CD C 13 43.581 0.3 . 1 . . . . 103 R CD . 18196 1 974 . 1 1 111 111 ARG N N 15 124.348 0.2 . 1 . . . . 103 R N . 18196 1 975 . 1 1 112 112 ALA H H 1 8.921 0.05 . 1 . . . . 104 A HN . 18196 1 976 . 1 1 112 112 ALA HA H 1 4.774 0.05 . 1 . . . . 104 A HA . 18196 1 977 . 1 1 112 112 ALA HB1 H 1 0.803 0.05 . 1 . . . . 104 A HB1 . 18196 1 978 . 1 1 112 112 ALA HB2 H 1 0.803 0.05 . 1 . . . . 104 A HB1 . 18196 1 979 . 1 1 112 112 ALA HB3 H 1 0.803 0.05 . 1 . . . . 104 A HB1 . 18196 1 980 . 1 1 112 112 ALA C C 13 176.832 0.3 . 1 . . . . 104 A C . 18196 1 981 . 1 1 112 112 ALA CA C 13 50.335 0.3 . 1 . . . . 104 A CA . 18196 1 982 . 1 1 112 112 ALA CB C 13 22.898 0.3 . 1 . . . . 104 A CB . 18196 1 983 . 1 1 112 112 ALA N N 15 128.120 0.2 . 1 . . . . 104 A N . 18196 1 984 . 1 1 113 113 GLU H H 1 8.682 0.05 . 1 . . . . 105 E HN . 18196 1 985 . 1 1 113 113 GLU HA H 1 3.893 0.05 . 1 . . . . 105 E HA . 18196 1 986 . 1 1 113 113 GLU HB2 H 1 1.863 0.05 . 2 . . . . 105 E HB1 . 18196 1 987 . 1 1 113 113 GLU HG2 H 1 2.170 0.05 . 2 . . . . 105 E HG1 . 18196 1 988 . 1 1 113 113 GLU C C 13 176.782 0.3 . 1 . . . . 105 E C . 18196 1 989 . 1 1 113 113 GLU CA C 13 57.807 0.3 . 1 . . . . 105 E CA . 18196 1 990 . 1 1 113 113 GLU CB C 13 29.534 0.3 . 1 . . . . 105 E CB . 18196 1 991 . 1 1 113 113 GLU CG C 13 36.191 0.3 . 1 . . . . 105 E CG . 18196 1 992 . 1 1 113 113 GLU N N 15 122.183 0.2 . 1 . . . . 105 E N . 18196 1 993 . 1 1 114 114 ASN H H 1 8.875 0.05 . 1 . . . . 106 N HN . 18196 1 994 . 1 1 114 114 ASN HA H 1 4.353 0.05 . 1 . . . . 106 N HA . 18196 1 995 . 1 1 114 114 ASN HB2 H 1 3.051 0.05 . 2 . . . . 106 N HB1 . 18196 1 996 . 1 1 114 114 ASN HB3 H 1 2.890 0.05 . 2 . . . . 106 N HB2 . 18196 1 997 . 1 1 114 114 ASN HD21 H 1 7.628 0.05 . 2 . . . . 106 N HD21 . 18196 1 998 . 1 1 114 114 ASN HD22 H 1 6.906 0.05 . 2 . . . . 106 N HD22 . 18196 1 999 . 1 1 114 114 ASN C C 13 173.464 0.3 . 1 . . . . 106 N C . 18196 1 1000 . 1 1 114 114 ASN CA C 13 54.471 0.3 . 1 . . . . 106 N CA . 18196 1 1001 . 1 1 114 114 ASN CB C 13 37.825 0.3 . 1 . . . . 106 N CB . 18196 1 1002 . 1 1 114 114 ASN CG C 13 178.190 0.3 . 1 . . . . 106 N CG . 18196 1 1003 . 1 1 114 114 ASN N N 15 116.686 0.2 . 1 . . . . 106 N N . 18196 1 1004 . 1 1 114 114 ASN ND2 N 15 114.083 0.2 . 1 . . . . 106 N ND2 . 18196 1 1005 . 1 1 115 115 LEU H H 1 7.539 0.05 . 1 . . . . 107 L HN . 18196 1 1006 . 1 1 115 115 LEU HA H 1 4.674 0.05 . 1 . . . . 107 L HA . 18196 1 1007 . 1 1 115 115 LEU HB2 H 1 1.677 0.05 . 2 . . . . 107 L HB1 . 18196 1 1008 . 1 1 115 115 LEU HB3 H 1 1.302 0.05 . 2 . . . . 107 L HB2 . 18196 1 1009 . 1 1 115 115 LEU HG H 1 1.279 0.05 . 1 . . . . 107 L HG . 18196 1 1010 . 1 1 115 115 LEU HD11 H 1 0.841 0.05 . 2 . . . . 107 L HD11 . 18196 1 1011 . 1 1 115 115 LEU HD12 H 1 0.841 0.05 . 2 . . . . 107 L HD11 . 18196 1 1012 . 1 1 115 115 LEU HD13 H 1 0.841 0.05 . 2 . . . . 107 L HD11 . 18196 1 1013 . 1 1 115 115 LEU C C 13 176.999 0.3 . 1 . . . . 107 L C . 18196 1 1014 . 1 1 115 115 LEU CA C 13 54.295 0.3 . 1 . . . . 107 L CA . 18196 1 1015 . 1 1 115 115 LEU CB C 13 44.732 0.3 . 1 . . . . 107 L CB . 18196 1 1016 . 1 1 115 115 LEU CG C 13 27.910 0.3 . 1 . . . . 107 L CG . 18196 1 1017 . 1 1 115 115 LEU CD1 C 13 25.703 0.3 . 2 . . . . 107 L CD1 . 18196 1 1018 . 1 1 115 115 LEU N N 15 120.043 0.2 . 1 . . . . 107 L N . 18196 1 1019 . 1 1 116 116 LYS H H 1 8.553 0.05 . 1 . . . . 108 K HN . 18196 1 1020 . 1 1 116 116 LYS HA H 1 4.299 0.05 . 1 . . . . 108 K HA . 18196 1 1021 . 1 1 116 116 LYS HB2 H 1 1.805 0.05 . 2 . . . . 108 K HB1 . 18196 1 1022 . 1 1 116 116 LYS HB3 H 1 1.826 0.05 . 2 . . . . 108 K HB2 . 18196 1 1023 . 1 1 116 116 LYS HG2 H 1 1.494 0.05 . 2 . . . . 108 K HG1 . 18196 1 1024 . 1 1 116 116 LYS C C 13 176.288 0.3 . 1 . . . . 108 K C . 18196 1 1025 . 1 1 116 116 LYS CA C 13 56.332 0.3 . 1 . . . . 108 K CA . 18196 1 1026 . 1 1 116 116 LYS CB C 13 32.892 0.3 . 1 . . . . 108 K CB . 18196 1 1027 . 1 1 116 116 LYS CG C 13 25.343 0.3 . 1 . . . . 108 K CG . 18196 1 1028 . 1 1 116 116 LYS CD C 13 29.438 0.3 . 1 . . . . 108 K CD . 18196 1 1029 . 1 1 116 116 LYS N N 15 125.575 0.2 . 1 . . . . 108 K N . 18196 1 1030 . 1 1 117 117 GLN H H 1 8.347 0.05 . 1 . . . . 109 Q HN . 18196 1 1031 . 1 1 117 117 GLN HA H 1 4.324 0.05 . 1 . . . . 109 Q HA . 18196 1 1032 . 1 1 117 117 GLN HB2 H 1 2.012 0.05 . 2 . . . . 109 Q HB1 . 18196 1 1033 . 1 1 117 117 GLN HG2 H 1 2.380 0.05 . 2 . . . . 109 Q HG1 . 18196 1 1034 . 1 1 117 117 GLN HE21 H 1 7.618 0.05 . 2 . . . . 109 Q HE21 . 18196 1 1035 . 1 1 117 117 GLN HE22 H 1 6.692 0.05 . 2 . . . . 109 Q HE22 . 18196 1 1036 . 1 1 117 117 GLN C C 13 175.693 0.3 . 1 . . . . 109 Q C . 18196 1 1037 . 1 1 117 117 GLN CA C 13 56.867 0.3 . 1 . . . . 109 Q CA . 18196 1 1038 . 1 1 117 117 GLN CB C 13 30.031 0.3 . 1 . . . . 109 Q CB . 18196 1 1039 . 1 1 117 117 GLN CG C 13 34.769 0.3 . 1 . . . . 109 Q CG . 18196 1 1040 . 1 1 117 117 GLN CD C 13 179.447 0.3 . 1 . . . . 109 Q CD . 18196 1 1041 . 1 1 117 117 GLN N N 15 120.638 0.2 . 1 . . . . 109 Q N . 18196 1 1042 . 1 1 117 117 GLN NE2 N 15 111.700 0.2 . 1 . . . . 109 Q NE2 . 18196 1 1043 . 1 1 118 118 VAL H H 1 9.015 0.05 . 1 . . . . 110 V HN . 18196 1 1044 . 1 1 118 118 VAL HA H 1 4.128 0.05 . 1 . . . . 110 V HA . 18196 1 1045 . 1 1 118 118 VAL HB H 1 2.146 0.05 . 1 . . . . 110 V HB . 18196 1 1046 . 1 1 118 118 VAL HG21 H 1 1.088 0.05 . 2 . . . . 110 V HG21 . 18196 1 1047 . 1 1 118 118 VAL HG22 H 1 1.088 0.05 . 2 . . . . 110 V HG21 . 18196 1 1048 . 1 1 118 118 VAL HG23 H 1 1.088 0.05 . 2 . . . . 110 V HG21 . 18196 1 1049 . 1 1 118 118 VAL C C 13 174.266 0.3 . 1 . . . . 110 V C . 18196 1 1050 . 1 1 118 118 VAL CA C 13 63.147 0.3 . 1 . . . . 110 V CA . 18196 1 1051 . 1 1 118 118 VAL CB C 13 32.323 0.3 . 1 . . . . 110 V CB . 18196 1 1052 . 1 1 118 118 VAL CG1 C 13 22.196 0.3 . 2 . . . . 110 V CG1 . 18196 1 1053 . 1 1 118 118 VAL N N 15 128.845 0.2 . 1 . . . . 110 V N . 18196 1 1054 . 1 1 119 119 GLN H H 1 8.495 0.05 . 1 . . . . 111 Q HN . 18196 1 1055 . 1 1 119 119 GLN HA H 1 5.504 0.05 . 1 . . . . 111 Q HA . 18196 1 1056 . 1 1 119 119 GLN HB2 H 1 2.227 0.05 . 2 . . . . 111 Q HB1 . 18196 1 1057 . 1 1 119 119 GLN HB3 H 1 2.007 0.05 . 2 . . . . 111 Q HB2 . 18196 1 1058 . 1 1 119 119 GLN HE21 H 1 8.027 0.05 . 2 . . . . 111 Q HE21 . 18196 1 1059 . 1 1 119 119 GLN HE22 H 1 7.104 0.05 . 2 . . . . 111 Q HE22 . 18196 1 1060 . 1 1 119 119 GLN C C 13 173.927 0.3 . 1 . . . . 111 Q C . 18196 1 1061 . 1 1 119 119 GLN CA C 13 53.875 0.3 . 1 . . . . 111 Q CA . 18196 1 1062 . 1 1 119 119 GLN CB C 13 33.979 0.3 . 1 . . . . 111 Q CB . 18196 1 1063 . 1 1 119 119 GLN CD C 13 179.662 0.3 . 1 . . . . 111 Q CD . 18196 1 1064 . 1 1 119 119 GLN N N 15 125.274 0.2 . 1 . . . . 111 Q N . 18196 1 1065 . 1 1 119 119 GLN NE2 N 15 113.706 0.2 . 1 . . . . 111 Q NE2 . 18196 1 1066 . 1 1 120 120 ALA H H 1 8.960 0.05 . 1 . . . . 112 A HN . 18196 1 1067 . 1 1 120 120 ALA HA H 1 4.814 0.05 . 1 . . . . 112 A HA . 18196 1 1068 . 1 1 120 120 ALA HB1 H 1 1.359 0.05 . 1 . . . . 112 A HB1 . 18196 1 1069 . 1 1 120 120 ALA HB2 H 1 1.359 0.05 . 1 . . . . 112 A HB1 . 18196 1 1070 . 1 1 120 120 ALA HB3 H 1 1.359 0.05 . 1 . . . . 112 A HB1 . 18196 1 1071 . 1 1 120 120 ALA C C 13 174.466 0.3 . 1 . . . . 112 A C . 18196 1 1072 . 1 1 120 120 ALA CA C 13 51.887 0.3 . 1 . . . . 112 A CA . 18196 1 1073 . 1 1 120 120 ALA CB C 13 23.595 0.3 . 1 . . . . 112 A CB . 18196 1 1074 . 1 1 120 120 ALA N N 15 123.488 0.2 . 1 . . . . 112 A N . 18196 1 1075 . 1 1 121 121 VAL H H 1 8.413 0.05 . 1 . . . . 113 V HN . 18196 1 1076 . 1 1 121 121 VAL HA H 1 5.312 0.05 . 1 . . . . 113 V HA . 18196 1 1077 . 1 1 121 121 VAL HB H 1 1.916 0.05 . 1 . . . . 113 V HB . 18196 1 1078 . 1 1 121 121 VAL C C 13 175.015 0.3 . 1 . . . . 113 V C . 18196 1 1079 . 1 1 121 121 VAL CA C 13 60.089 0.3 . 1 . . . . 113 V CA . 18196 1 1080 . 1 1 121 121 VAL CB C 13 35.153 0.3 . 1 . . . . 113 V CB . 18196 1 1081 . 1 1 121 121 VAL N N 15 118.625 0.2 . 1 . . . . 113 V N . 18196 1 1082 . 1 1 122 122 GLN H H 1 9.056 0.05 . 1 . . . . 114 Q HN . 18196 1 1083 . 1 1 122 122 GLN HA H 1 4.879 0.05 . 1 . . . . 114 Q HA . 18196 1 1084 . 1 1 122 122 GLN HE21 H 1 7.392 0.05 . 2 . . . . 114 Q HE21 . 18196 1 1085 . 1 1 122 122 GLN HE22 H 1 6.834 0.05 . 2 . . . . 114 Q HE22 . 18196 1 1086 . 1 1 122 122 GLN C C 13 174.339 0.3 . 1 . . . . 114 Q C . 18196 1 1087 . 1 1 122 122 GLN CA C 13 54.411 0.3 . 1 . . . . 114 Q CA . 18196 1 1088 . 1 1 122 122 GLN CB C 13 33.510 0.3 . 1 . . . . 114 Q CB . 18196 1 1089 . 1 1 122 122 GLN CD C 13 180.284 0.3 . 1 . . . . 114 Q CD . 18196 1 1090 . 1 1 122 122 GLN N N 15 125.916 0.2 . 1 . . . . 114 Q N . 18196 1 1091 . 1 1 122 122 GLN NE2 N 15 111.528 0.2 . 1 . . . . 114 Q NE2 . 18196 1 1092 . 1 1 123 123 GLN HB2 H 1 2.311 0.05 . 2 . . . . 115 Q HB1 . 18196 1 1093 . 1 1 123 123 GLN HG2 H 1 2.365 0.05 . 2 . . . . 115 Q HG1 . 18196 1 1094 . 1 1 123 123 GLN HE21 H 1 7.775 0.05 . 2 . . . . 115 Q HE21 . 18196 1 1095 . 1 1 123 123 GLN C C 13 175.914 0.3 . 1 . . . . 115 Q C . 18196 1 1096 . 1 1 123 123 GLN CA C 13 55.518 0.3 . 1 . . . . 115 Q CA . 18196 1 1097 . 1 1 123 123 GLN CB C 13 30.622 0.3 . 1 . . . . 115 Q CB . 18196 1 1098 . 1 1 123 123 GLN CG C 13 35.182 0.3 . 1 . . . . 115 Q CG . 18196 1 1099 . 1 1 123 123 GLN CD C 13 180.351 0.3 . 1 . . . . 115 Q CD . 18196 1 1100 . 1 1 123 123 GLN NE2 N 15 112.439 0.2 . 1 . . . . 115 Q NE2 . 18196 1 1101 . 1 1 124 124 PHE H H 1 9.415 0.05 . 1 . . . . 116 F HN . 18196 1 1102 . 1 1 124 124 PHE HA H 1 5.165 0.05 . 1 . . . . 116 F HA . 18196 1 1103 . 1 1 124 124 PHE HD1 H 1 7.214 0.05 . 3 . . . . 116 F HD1 . 18196 1 1104 . 1 1 124 124 PHE HE1 H 1 7.239 0.05 . 3 . . . . 116 F HE1 . 18196 1 1105 . 1 1 124 124 PHE C C 13 171.262 0.3 . 1 . . . . 116 F C . 18196 1 1106 . 1 1 124 124 PHE CA C 13 56.383 0.3 . 1 . . . . 116 F CA . 18196 1 1107 . 1 1 124 124 PHE CB C 13 41.596 0.3 . 1 . . . . 116 F CB . 18196 1 1108 . 1 1 124 124 PHE N N 15 121.046 0.2 . 1 . . . . 116 F N . 18196 1 1109 . 1 1 125 125 GLU H H 1 8.655 0.05 . 1 . . . . 117 E HN . 18196 1 1110 . 1 1 125 125 GLU HA H 1 5.148 0.05 . 1 . . . . 117 E HA . 18196 1 1111 . 1 1 125 125 GLU HG2 H 1 2.134 0.05 . 2 . . . . 117 E HG1 . 18196 1 1112 . 1 1 125 125 GLU CA C 13 54.924 0.3 . 1 . . . . 117 E CA . 18196 1 1113 . 1 1 125 125 GLU CB C 13 32.649 0.3 . 1 . . . . 117 E CB . 18196 1 1114 . 1 1 125 125 GLU CG C 13 36.462 0.3 . 1 . . . . 117 E CG . 18196 1 1115 . 1 1 125 125 GLU N N 15 121.051 0.2 . 1 . . . . 117 E N . 18196 1 1116 . 1 1 126 126 VAL H H 1 9.125 0.05 . 1 . . . . 118 V HN . 18196 1 1117 . 1 1 126 126 VAL HA H 1 4.250 0.05 . 1 . . . . 118 V HA . 18196 1 1118 . 1 1 126 126 VAL HB H 1 2.023 0.05 . 1 . . . . 118 V HB . 18196 1 1119 . 1 1 126 126 VAL HG11 H 1 0.693 0.05 . 2 . . . . 118 V HG11 . 18196 1 1120 . 1 1 126 126 VAL HG12 H 1 0.693 0.05 . 2 . . . . 118 V HG11 . 18196 1 1121 . 1 1 126 126 VAL HG13 H 1 0.693 0.05 . 2 . . . . 118 V HG11 . 18196 1 1122 . 1 1 126 126 VAL C C 13 175.990 0.3 . 1 . . . . 118 V C . 18196 1 1123 . 1 1 126 126 VAL CA C 13 61.927 0.3 . 1 . . . . 118 V CA . 18196 1 1124 . 1 1 126 126 VAL CB C 13 33.842 0.3 . 1 . . . . 118 V CB . 18196 1 1125 . 1 1 126 126 VAL CG1 C 13 23.254 0.3 . 2 . . . . 118 V CG1 . 18196 1 1126 . 1 1 126 126 VAL CG2 C 13 21.594 0.3 . 2 . . . . 118 V CG2 . 18196 1 1127 . 1 1 126 126 VAL N N 15 126.030 0.2 . 1 . . . . 118 V N . 18196 1 1128 . 1 1 127 127 LYS H H 1 9.354 0.05 . 1 . . . . 119 K HN . 18196 1 1129 . 1 1 127 127 LYS HA H 1 4.352 0.05 . 1 . . . . 119 K HA . 18196 1 1130 . 1 1 127 127 LYS C C 13 181.028 0.3 . 1 . . . . 119 K C . 18196 1 1131 . 1 1 127 127 LYS CA C 13 56.837 0.3 . 1 . . . . 119 K CA . 18196 1 1132 . 1 1 127 127 LYS CB C 13 34.518 0.3 . 1 . . . . 119 K CB . 18196 1 stop_ save_