data_5701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5701 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the catalytic GEF domain of Salmonella SopE2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-18 _Entry.Accession_date 2003-02-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Williams . . . 5701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1020 5701 '13C chemical shifts' 680 5701 '15N chemical shifts' 157 5701 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-10-17 . update author 'addition of relationship loop' 5701 2 . . 2003-06-12 . original author 'original release' 5701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5974 'BopE from Burkholderia pseudomallei' 5701 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5701 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22699291 _Citation.DOI . _Citation.PubMed_ID 12815267 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N Resonances of the Catalytic Domain of Guanine Nucleotide Exchange Factor SopE2 from Salmonella dublin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 379 _Citation.Page_last 380 _Citation.Year 2003 _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 Christopher Williams . . . 5701 1 2 Edoudard Galyov . E. . 5701 1 3 Stefan Bagby . . . 5701 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Salmonella 5701 1 GEF 5701 1 'guanine nucleotide exchange factor' 5701 1 'NMR assignments' 5701 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5701 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10735884 _Citation.Full_citation ; Bakshi CS, Singh VP, Wood MW, Jones PW, Wallis TS, Galyov EE. Identification of SopE2, a Salmonella secreted protein which is highly homologous to SopE and involved in bacterial invasion of epithelial cells. J Bacteriol. 2000 Apr;182(8):2341-4. ; _Citation.Title 'Identification of SopE2, a Salmonella secreted protein which is highly homologous to SopE and involved in bacterial invasion of epithelial cells.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 182 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9193 _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 2341 _Citation.Page_last 2344 _Citation.Year 2000 _Citation.Details ; Type III secreted Sop protein effectors are delivered into target eukaryotic cells and elicit cellular responses underlying Salmonella pathogenicity. In this work, we have identified another secreted protein, SopE2, and showed that SopE2 is an important invasion-associated effector. SopE2 is encoded by the sopE2 gene which is present and conserved in pathogenic strains of Salmonella. SopE2 is highly homologous to SopE, a protein encoded by a gene within a temperate bacteriophage and present in only some pathogenic strains. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'C S' Bakshi C. S. . 5701 2 2 'V P' Singh V. P. . 5701 2 3 'M W' Wood M. W. . 5701 2 4 'P W' Jones P. W. . 5701 2 5 'T S' Wallis T. S. . 5701 2 6 'E E' Galyov E. E. . 5701 2 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 5701 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11440999 _Citation.Full_citation ; Friebel A, Ilchmann H, Aepfelbacher M, Ehrbar K, Machleidt W, Hardt WD.SopE and SopE2 from Salmonella typhimurium activate different sets of RhoGTPases of the host cell. J Biol Chem. 2001 Sep 7;276(36):34035-40. ; _Citation.Title 'SopE and SopE2 from Salmonella typhimurium activate different sets of RhoGTPases of the host cell.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 276 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 34035 _Citation.Page_last 34040 _Citation.Year 2001 _Citation.Details ; The bacterial enteropathogen Salmonella typhimurium employs a specialized type III secretion system to inject toxins into host cells, which trigger signaling cascades leading to cell death in macrophages, secretion of pro-inflammatory cytokines, or rearrangements of the host cell cytoskeleton and thus to bacterial invasion. Two of the injected toxins, SopE and the 69% identical protein SopE2, are highly efficient guanine nucleotide exchange factors for the RhoGTPase Cdc42 of the host cell. However, it has been a puzzle why S. typhimurium might employ two toxins with redundant function. We hypothesized that SopE and SopE2 might have different specificities for certain host cellular RhoGTPases. In vitro guanine nucleotide exchange assays and surface plasmon resonance measurements revealed that SopE is an efficient guanine nucleotide exchange factor for Cdc42 and Rac1, whereas SopE2 was interacting efficiently only with Cdc42, but not with Rac1. Affinity precipitation of Cdc42.GTP and Rac1.GTP from lysates and characteristic cytoskeletal rearrangements of infected tissue culture cells confirmed that SopE is highly efficient at activating Cdc42 and Rac1 in vivo, whereas SopE2 was efficiently activating Cdc42, but not Rac1. We conclude that the translocated effector proteins SopE and SopE2 allow S. typhimurium to specifically activate different sets of RhoGTPase signaling cascades. ; 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 A Friebel A. . . 5701 3 2 H Ilchmann H. . . 5701 3 3 M Aepfelbacher M. . . 5701 3 4 K Ehrbar K. . . 5701 3 5 W Machleidt W. . . 5701 3 6 'W D' Hardt W. D. . 5701 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_System_SopE2 _Assembly.Sf_category assembly _Assembly.Sf_framecode System_SopE2 _Assembly.Entry_ID 5701 _Assembly.ID 1 _Assembly.Name 'SopE2 momomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5701 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SopE2 monomer' 1 $SopE2 . . . native . . . . . 5701 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SopE2 momomer' system 5701 1 SopE2 abbreviation 5701 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'A non-Dbl guanine nucleotide exchange factor for the Rho GTPases Rac1 and Cdc42' 5701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SopE2 _Entity.Sf_category entity _Entity.Sf_framecode SopE2 _Entity.Entry_ID 5701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Salmonella SopE2' _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 ; GNASEGRAVLTSKTVKDFML QKLNSLDIKGNASKDPAYAR QTCEAILSAVYSNNKDQCCK LLISKGVSITPFLKEIGEAA QNAGLPGEIKNGVFTPGGAG ANPFVVPLIASASIKYPHMF INHNQQVSFKAYAEKIVMKE VTPLFNKGTMPTPQQFQLTI ENIANKYLQNAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18398.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Highly alpha helical' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1R6E . "Solution Structure Of The Catalytic Domain Of Sope2" . . . . . 97.67 168 100.00 100.00 1.16e-118 . . . . 5701 1 2 no PDB 1R9K . "Representative Solution Structure Of The Catalytic Domain Of Sope2" . . . . . 100.00 172 100.00 100.00 1.57e-121 . . . . 5701 1 3 no DBJ BAJ36820 . "guanine nucleotide exchange factor SopE [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 4 no DBJ BAP07723 . "invasion-associated secreted effector protein SopE2 [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 5 no EMBL CAR32763 . "invasion-associated secreted effector protein (sopE2) [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 240 99.42 99.42 5.47e-121 . . . . 5701 1 6 no EMBL CAR37140 . "invasion-associated secreted effector protein (sopE2) [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 7 no EMBL CAR59099 . "Type III-secreted protein effector: invasion-associated protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. A" . . . . . 100.00 240 97.67 99.42 8.12e-120 . . . . 5701 1 8 no EMBL CBG24854 . "invasion-associated secreted effector protein (sopE2) [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 9 no EMBL CBW17878 . "Type III secretion system effector protein-causes membrane ruffling and disrupts tight junctions [Salmonella enterica subsp. en" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 10 no GB AAF63159 . "invasion-associated secreted protein SopE2 [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 240 99.42 99.42 1.92e-121 . . . . 5701 1 11 no GB AAF91225 . "SopE2 [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 12 no GB AAK27350 . "G-nucleotide exchange factor SopE2 [Salmonella bongori]" . . . . . 56.40 97 100.00 100.00 1.85e-63 . . . . 5701 1 13 no GB AAK27351 . "G-nucleotide exchange factor SopE2 [Salmonella bongori]" . . . . . 56.40 97 100.00 100.00 1.85e-63 . . . . 5701 1 14 no GB AAL20770 . "TypeIII-secreted protein effector: invasion-associated protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 15 no REF NP_460811 . "guanine nucleotide exchange factor sopE2 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 16 no REF WP_000182065 . "type III secretion protein SopE [Salmonella enterica]" . . . . . 100.00 240 97.09 98.84 4.87e-119 . . . . 5701 1 17 no REF WP_000182066 . "hypothetical protein [Salmonella enterica]" . . . . . 100.00 240 97.67 99.42 7.52e-120 . . . . 5701 1 18 no REF WP_000182067 . "hypothetical protein [Salmonella enterica]" . . . . . 100.00 240 98.84 99.42 9.55e-121 . . . . 5701 1 19 no REF WP_000182068 . "type III secretion protein SopE [Salmonella enterica]" . . . . . 100.00 240 97.67 98.84 1.04e-119 . . . . 5701 1 20 no SP Q5PHN0 . "RecName: Full=Guanine nucleotide exchange factor sopE2; AltName: Full=Effector protein sopE2; AltName: Full=Toxin sopE2 [Salmon" . . . . . 100.00 240 97.67 99.42 8.12e-120 . . . . 5701 1 21 no SP Q7CQD4 . "RecName: Full=Guanine nucleotide exchange factor sopE2; AltName: Full=Effector protein sopE2; AltName: Full=Toxin sopE2 [Salmon" . . . . . 100.00 240 100.00 100.00 4.29e-122 . . . . 5701 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Salmonella SopE2' common 5701 1 SopE2 abbreviation 5701 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 69 GLY . 5701 1 2 70 ASN . 5701 1 3 71 ALA . 5701 1 4 72 SER . 5701 1 5 73 GLU . 5701 1 6 74 GLY . 5701 1 7 75 ARG . 5701 1 8 76 ALA . 5701 1 9 77 VAL . 5701 1 10 78 LEU . 5701 1 11 79 THR . 5701 1 12 80 SER . 5701 1 13 81 LYS . 5701 1 14 82 THR . 5701 1 15 83 VAL . 5701 1 16 84 LYS . 5701 1 17 85 ASP . 5701 1 18 86 PHE . 5701 1 19 87 MET . 5701 1 20 88 LEU . 5701 1 21 89 GLN . 5701 1 22 90 LYS . 5701 1 23 91 LEU . 5701 1 24 92 ASN . 5701 1 25 93 SER . 5701 1 26 94 LEU . 5701 1 27 95 ASP . 5701 1 28 96 ILE . 5701 1 29 97 LYS . 5701 1 30 98 GLY . 5701 1 31 99 ASN . 5701 1 32 100 ALA . 5701 1 33 101 SER . 5701 1 34 102 LYS . 5701 1 35 103 ASP . 5701 1 36 104 PRO . 5701 1 37 105 ALA . 5701 1 38 106 TYR . 5701 1 39 107 ALA . 5701 1 40 108 ARG . 5701 1 41 109 GLN . 5701 1 42 110 THR . 5701 1 43 111 CYS . 5701 1 44 112 GLU . 5701 1 45 113 ALA . 5701 1 46 114 ILE . 5701 1 47 115 LEU . 5701 1 48 116 SER . 5701 1 49 117 ALA . 5701 1 50 118 VAL . 5701 1 51 119 TYR . 5701 1 52 120 SER . 5701 1 53 121 ASN . 5701 1 54 122 ASN . 5701 1 55 123 LYS . 5701 1 56 124 ASP . 5701 1 57 125 GLN . 5701 1 58 126 CYS . 5701 1 59 127 CYS . 5701 1 60 128 LYS . 5701 1 61 129 LEU . 5701 1 62 130 LEU . 5701 1 63 131 ILE . 5701 1 64 132 SER . 5701 1 65 133 LYS . 5701 1 66 134 GLY . 5701 1 67 135 VAL . 5701 1 68 136 SER . 5701 1 69 137 ILE . 5701 1 70 138 THR . 5701 1 71 139 PRO . 5701 1 72 140 PHE . 5701 1 73 141 LEU . 5701 1 74 142 LYS . 5701 1 75 143 GLU . 5701 1 76 144 ILE . 5701 1 77 145 GLY . 5701 1 78 146 GLU . 5701 1 79 147 ALA . 5701 1 80 148 ALA . 5701 1 81 149 GLN . 5701 1 82 150 ASN . 5701 1 83 151 ALA . 5701 1 84 152 GLY . 5701 1 85 153 LEU . 5701 1 86 154 PRO . 5701 1 87 155 GLY . 5701 1 88 156 GLU . 5701 1 89 157 ILE . 5701 1 90 158 LYS . 5701 1 91 159 ASN . 5701 1 92 160 GLY . 5701 1 93 161 VAL . 5701 1 94 162 PHE . 5701 1 95 163 THR . 5701 1 96 164 PRO . 5701 1 97 165 GLY . 5701 1 98 166 GLY . 5701 1 99 167 ALA . 5701 1 100 168 GLY . 5701 1 101 169 ALA . 5701 1 102 170 ASN . 5701 1 103 171 PRO . 5701 1 104 172 PHE . 5701 1 105 173 VAL . 5701 1 106 174 VAL . 5701 1 107 175 PRO . 5701 1 108 176 LEU . 5701 1 109 177 ILE . 5701 1 110 178 ALA . 5701 1 111 179 SER . 5701 1 112 180 ALA . 5701 1 113 181 SER . 5701 1 114 182 ILE . 5701 1 115 183 LYS . 5701 1 116 184 TYR . 5701 1 117 185 PRO . 5701 1 118 186 HIS . 5701 1 119 187 MET . 5701 1 120 188 PHE . 5701 1 121 189 ILE . 5701 1 122 190 ASN . 5701 1 123 191 HIS . 5701 1 124 192 ASN . 5701 1 125 193 GLN . 5701 1 126 194 GLN . 5701 1 127 195 VAL . 5701 1 128 196 SER . 5701 1 129 197 PHE . 5701 1 130 198 LYS . 5701 1 131 199 ALA . 5701 1 132 200 TYR . 5701 1 133 201 ALA . 5701 1 134 202 GLU . 5701 1 135 203 LYS . 5701 1 136 204 ILE . 5701 1 137 205 VAL . 5701 1 138 206 MET . 5701 1 139 207 LYS . 5701 1 140 208 GLU . 5701 1 141 209 VAL . 5701 1 142 210 THR . 5701 1 143 211 PRO . 5701 1 144 212 LEU . 5701 1 145 213 PHE . 5701 1 146 214 ASN . 5701 1 147 215 LYS . 5701 1 148 216 GLY . 5701 1 149 217 THR . 5701 1 150 218 MET . 5701 1 151 219 PRO . 5701 1 152 220 THR . 5701 1 153 221 PRO . 5701 1 154 222 GLN . 5701 1 155 223 GLN . 5701 1 156 224 PHE . 5701 1 157 225 GLN . 5701 1 158 226 LEU . 5701 1 159 227 THR . 5701 1 160 228 ILE . 5701 1 161 229 GLU . 5701 1 162 230 ASN . 5701 1 163 231 ILE . 5701 1 164 232 ALA . 5701 1 165 233 ASN . 5701 1 166 234 LYS . 5701 1 167 235 TYR . 5701 1 168 236 LEU . 5701 1 169 237 GLN . 5701 1 170 238 ASN . 5701 1 171 239 ALA . 5701 1 172 240 SER . 5701 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 . GLY 1 1 5701 1 . ASN 2 2 5701 1 . ALA 3 3 5701 1 . SER 4 4 5701 1 . GLU 5 5 5701 1 . GLY 6 6 5701 1 . ARG 7 7 5701 1 . ALA 8 8 5701 1 . VAL 9 9 5701 1 . LEU 10 10 5701 1 . THR 11 11 5701 1 . SER 12 12 5701 1 . LYS 13 13 5701 1 . THR 14 14 5701 1 . VAL 15 15 5701 1 . LYS 16 16 5701 1 . ASP 17 17 5701 1 . PHE 18 18 5701 1 . MET 19 19 5701 1 . LEU 20 20 5701 1 . GLN 21 21 5701 1 . LYS 22 22 5701 1 . LEU 23 23 5701 1 . ASN 24 24 5701 1 . SER 25 25 5701 1 . LEU 26 26 5701 1 . ASP 27 27 5701 1 . ILE 28 28 5701 1 . LYS 29 29 5701 1 . GLY 30 30 5701 1 . ASN 31 31 5701 1 . ALA 32 32 5701 1 . SER 33 33 5701 1 . LYS 34 34 5701 1 . ASP 35 35 5701 1 . PRO 36 36 5701 1 . ALA 37 37 5701 1 . TYR 38 38 5701 1 . ALA 39 39 5701 1 . ARG 40 40 5701 1 . GLN 41 41 5701 1 . THR 42 42 5701 1 . CYS 43 43 5701 1 . GLU 44 44 5701 1 . ALA 45 45 5701 1 . ILE 46 46 5701 1 . LEU 47 47 5701 1 . SER 48 48 5701 1 . ALA 49 49 5701 1 . VAL 50 50 5701 1 . TYR 51 51 5701 1 . SER 52 52 5701 1 . ASN 53 53 5701 1 . ASN 54 54 5701 1 . LYS 55 55 5701 1 . ASP 56 56 5701 1 . GLN 57 57 5701 1 . CYS 58 58 5701 1 . CYS 59 59 5701 1 . LYS 60 60 5701 1 . LEU 61 61 5701 1 . LEU 62 62 5701 1 . ILE 63 63 5701 1 . SER 64 64 5701 1 . LYS 65 65 5701 1 . GLY 66 66 5701 1 . VAL 67 67 5701 1 . SER 68 68 5701 1 . ILE 69 69 5701 1 . THR 70 70 5701 1 . PRO 71 71 5701 1 . PHE 72 72 5701 1 . LEU 73 73 5701 1 . LYS 74 74 5701 1 . GLU 75 75 5701 1 . ILE 76 76 5701 1 . GLY 77 77 5701 1 . GLU 78 78 5701 1 . ALA 79 79 5701 1 . ALA 80 80 5701 1 . GLN 81 81 5701 1 . ASN 82 82 5701 1 . ALA 83 83 5701 1 . GLY 84 84 5701 1 . LEU 85 85 5701 1 . PRO 86 86 5701 1 . GLY 87 87 5701 1 . GLU 88 88 5701 1 . ILE 89 89 5701 1 . LYS 90 90 5701 1 . ASN 91 91 5701 1 . GLY 92 92 5701 1 . VAL 93 93 5701 1 . PHE 94 94 5701 1 . THR 95 95 5701 1 . PRO 96 96 5701 1 . GLY 97 97 5701 1 . GLY 98 98 5701 1 . ALA 99 99 5701 1 . GLY 100 100 5701 1 . ALA 101 101 5701 1 . ASN 102 102 5701 1 . PRO 103 103 5701 1 . PHE 104 104 5701 1 . VAL 105 105 5701 1 . VAL 106 106 5701 1 . PRO 107 107 5701 1 . LEU 108 108 5701 1 . ILE 109 109 5701 1 . ALA 110 110 5701 1 . SER 111 111 5701 1 . ALA 112 112 5701 1 . SER 113 113 5701 1 . ILE 114 114 5701 1 . LYS 115 115 5701 1 . TYR 116 116 5701 1 . PRO 117 117 5701 1 . HIS 118 118 5701 1 . MET 119 119 5701 1 . PHE 120 120 5701 1 . ILE 121 121 5701 1 . ASN 122 122 5701 1 . HIS 123 123 5701 1 . ASN 124 124 5701 1 . GLN 125 125 5701 1 . GLN 126 126 5701 1 . VAL 127 127 5701 1 . SER 128 128 5701 1 . PHE 129 129 5701 1 . LYS 130 130 5701 1 . ALA 131 131 5701 1 . TYR 132 132 5701 1 . ALA 133 133 5701 1 . GLU 134 134 5701 1 . LYS 135 135 5701 1 . ILE 136 136 5701 1 . VAL 137 137 5701 1 . MET 138 138 5701 1 . LYS 139 139 5701 1 . GLU 140 140 5701 1 . VAL 141 141 5701 1 . THR 142 142 5701 1 . PRO 143 143 5701 1 . LEU 144 144 5701 1 . PHE 145 145 5701 1 . ASN 146 146 5701 1 . LYS 147 147 5701 1 . GLY 148 148 5701 1 . THR 149 149 5701 1 . MET 150 150 5701 1 . PRO 151 151 5701 1 . THR 152 152 5701 1 . PRO 153 153 5701 1 . GLN 154 154 5701 1 . GLN 155 155 5701 1 . PHE 156 156 5701 1 . GLN 157 157 5701 1 . LEU 158 158 5701 1 . THR 159 159 5701 1 . ILE 160 160 5701 1 . GLU 161 161 5701 1 . ASN 162 162 5701 1 . ILE 163 163 5701 1 . ALA 164 164 5701 1 . ASN 165 165 5701 1 . LYS 166 166 5701 1 . TYR 167 167 5701 1 . LEU 168 168 5701 1 . GLN 169 169 5701 1 . ASN 170 170 5701 1 . ALA 171 171 5701 1 . SER 172 172 5701 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 5701 _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 $SopE2 . 28901 . . 'Salmonella enterica subsp enterica ser typhimurium' Salmonella . . Eubacteria . Salmonella 'enterica subsp enterica ser typhimurium' F98 . . . . . . . . . . . . . . . . . . . . 5701 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 5701 _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 $SopE2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . PGEX-2T . . . . . . . . . 5701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5701 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Salmonella SopE2' '[U-95% 13C; U-90% 15N]' . . 1 $SopE2 . . . 0.5 1.0 mM . . . . 5701 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5701 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 na 5701 1 temperature 298 1 K 5701 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5701 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak analysis' 5701 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5701 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN INOVA . 600 . . . 5701 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 5701 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 2 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 3 '1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 4 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 5 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 6 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 7 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 9 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 10 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 11 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 12 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 13 HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 14 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 15 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 16 HAHBCBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 17 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 18 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 19 'NH2-SELECTIVE 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 20 'CN NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5701 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HAHBCBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 'NH2-SELECTIVE 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 5701 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name 'CN NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5701 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5701 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5701 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5701 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5701 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $sample_1 . 5701 1 2 '1H-1H NOESY' 1 $sample_1 . 5701 1 3 '1H-1H TOCSY' 1 $sample_1 . 5701 1 4 '1H-15N TOCSY' 1 $sample_1 . 5701 1 5 '1H-15N NOESY' 1 $sample_1 . 5701 1 6 HNCA 1 $sample_1 . 5701 1 7 HNCACB 1 $sample_1 . 5701 1 8 HNHA 1 $sample_1 . 5701 1 9 HNHB 1 $sample_1 . 5701 1 10 CBCACONH 1 $sample_1 . 5701 1 11 HNCO 1 $sample_1 . 5701 1 12 HNCACO 1 $sample_1 . 5701 1 13 HNCOCA 1 $sample_1 . 5701 1 14 HCCONH 1 $sample_1 . 5701 1 15 CCONH 1 $sample_1 . 5701 1 16 HAHBCBCACONNH 1 $sample_1 . 5701 1 17 HCCH-COSY 1 $sample_1 . 5701 1 18 HCCH-TOCSY 1 $sample_1 . 5701 1 19 'NH2-SELECTIVE 1H-15N HSQC' 1 $sample_1 . 5701 1 20 'CN NOESY' 1 $sample_1 . 5701 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 4 4 SER H H 1 7.969 0.01 . 1 . . . . . . . . 5701 1 2 . 1 1 4 4 SER CA C 13 59.102 0.1 . 1 . . . . . . . . 5701 1 3 . 1 1 4 4 SER HA H 1 4.509 0.01 . 1 . . . . . . . . 5701 1 4 . 1 1 4 4 SER CB C 13 64.636 0.1 . 1 . . . . . . . . 5701 1 5 . 1 1 4 4 SER HB3 H 1 3.940 0.01 . 2 . . . . . . . . 5701 1 6 . 1 1 4 4 SER C C 13 174.792 0.1 . 1 . . . . . . . . 5701 1 7 . 1 1 5 5 GLU N N 15 123.725 0.1 . 1 . . . . . . . . 5701 1 8 . 1 1 5 5 GLU H H 1 8.834 0.01 . 1 . . . . . . . . 5701 1 9 . 1 1 5 5 GLU CA C 13 58.025 0.1 . 1 . . . . . . . . 5701 1 10 . 1 1 5 5 GLU HA H 1 4.295 0.01 . 1 . . . . . . . . 5701 1 11 . 1 1 5 5 GLU CB C 13 30.683 0.1 . 1 . . . . . . . . 5701 1 12 . 1 1 5 5 GLU HB3 H 1 2.095 0.01 . 2 . . . . . . . . 5701 1 13 . 1 1 5 5 GLU HB2 H 1 2.006 0.01 . 2 . . . . . . . . 5701 1 14 . 1 1 5 5 GLU CG C 13 37.110 0.1 . 1 . . . . . . . . 5701 1 15 . 1 1 5 5 GLU HG2 H 1 2.256 0.01 . 2 . . . . . . . . 5701 1 16 . 1 1 5 5 GLU C C 13 177.768 0.1 . 1 . . . . . . . . 5701 1 17 . 1 1 6 6 GLY N N 15 110.453 0.1 . 1 . . . . . . . . 5701 1 18 . 1 1 6 6 GLY H H 1 8.467 0.01 . 1 . . . . . . . . 5701 1 19 . 1 1 6 6 GLY CA C 13 46.245 0.1 . 1 . . . . . . . . 5701 1 20 . 1 1 6 6 GLY HA3 H 1 3.921 0.01 . 2 . . . . . . . . 5701 1 21 . 1 1 6 6 GLY HA2 H 1 3.402 0.01 . 2 . . . . . . . . 5701 1 22 . 1 1 6 6 GLY C C 13 175.004 0.1 . 1 . . . . . . . . 5701 1 23 . 1 1 7 7 ARG N N 15 120.856 0.1 . 1 . . . . . . . . 5701 1 24 . 1 1 7 7 ARG H H 1 8.041 0.01 . 1 . . . . . . . . 5701 1 25 . 1 1 7 7 ARG CA C 13 57.112 0.1 . 1 . . . . . . . . 5701 1 26 . 1 1 7 7 ARG HA H 1 4.340 0.01 . 1 . . . . . . . . 5701 1 27 . 1 1 7 7 ARG CB C 13 31.702 0.1 . 1 . . . . . . . . 5701 1 28 . 1 1 7 7 ARG HB3 H 1 1.902 0.01 . 2 . . . . . . . . 5701 1 29 . 1 1 7 7 ARG HB2 H 1 1.856 0.01 . 2 . . . . . . . . 5701 1 30 . 1 1 7 7 ARG CG C 13 27.862 0.1 . 1 . . . . . . . . 5701 1 31 . 1 1 7 7 ARG HG2 H 1 1.635 0.01 . 2 . . . . . . . . 5701 1 32 . 1 1 7 7 ARG CD C 13 44.083 0.1 . 1 . . . . . . . . 5701 1 33 . 1 1 7 7 ARG HD2 H 1 3.241 0.01 . 1 . . . . . . . . 5701 1 34 . 1 1 7 7 ARG C C 13 176.902 0.1 . 1 . . . . . . . . 5701 1 35 . 1 1 8 8 ALA N N 15 125.859 0.1 . 1 . . . . . . . . 5701 1 36 . 1 1 8 8 ALA H H 1 8.326 0.01 . 1 . . . . . . . . 5701 1 37 . 1 1 8 8 ALA CA C 13 53.021 0.1 . 1 . . . . . . . . 5701 1 38 . 1 1 8 8 ALA HA H 1 4.366 0.01 . 1 . . . . . . . . 5701 1 39 . 1 1 8 8 ALA CB C 13 20.043 0.1 . 1 . . . . . . . . 5701 1 40 . 1 1 8 8 ALA HB1 H 1 1.392 0.01 . 1 . . . . . . . . 5701 1 41 . 1 1 8 8 ALA HB2 H 1 1.392 0.01 . 1 . . . . . . . . 5701 1 42 . 1 1 8 8 ALA HB3 H 1 1.392 0.01 . 1 . . . . . . . . 5701 1 43 . 1 1 8 8 ALA C C 13 178.422 0.1 . 1 . . . . . . . . 5701 1 44 . 1 1 9 9 VAL N N 15 120.627 0.1 . 1 . . . . . . . . 5701 1 45 . 1 1 9 9 VAL H H 1 8.128 0.01 . 1 . . . . . . . . 5701 1 46 . 1 1 9 9 VAL CA C 13 63.403 0.1 . 1 . . . . . . . . 5701 1 47 . 1 1 9 9 VAL HA H 1 4.064 0.01 . 1 . . . . . . . . 5701 1 48 . 1 1 9 9 VAL CB C 13 33.493 0.1 . 1 . . . . . . . . 5701 1 49 . 1 1 9 9 VAL HB H 1 2.064 0.01 . 1 . . . . . . . . 5701 1 50 . 1 1 9 9 VAL CG2 C 13 21.757 0.1 . 1 . . . . . . . . 5701 1 51 . 1 1 9 9 VAL HG21 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 52 . 1 1 9 9 VAL HG22 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 53 . 1 1 9 9 VAL HG23 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 54 . 1 1 9 9 VAL CG1 C 13 21.757 0.1 . 1 . . . . . . . . 5701 1 55 . 1 1 9 9 VAL HG11 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 56 . 1 1 9 9 VAL HG12 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 57 . 1 1 9 9 VAL HG13 H 1 0.926 0.01 . 1 . . . . . . . . 5701 1 58 . 1 1 9 9 VAL C C 13 176.715 0.1 . 1 . . . . . . . . 5701 1 59 . 1 1 10 10 LEU N N 15 127.265 0.1 . 1 . . . . . . . . 5701 1 60 . 1 1 10 10 LEU H H 1 8.304 0.01 . 1 . . . . . . . . 5701 1 61 . 1 1 10 10 LEU CA C 13 56.124 0.1 . 1 . . . . . . . . 5701 1 62 . 1 1 10 10 LEU HA H 1 4.538 0.01 . 1 . . . . . . . . 5701 1 63 . 1 1 10 10 LEU CB C 13 43.353 0.1 . 1 . . . . . . . . 5701 1 64 . 1 1 10 10 LEU HB3 H 1 1.661 0.01 . 2 . . . . . . . . 5701 1 65 . 1 1 10 10 LEU HB2 H 1 1.745 0.01 . 2 . . . . . . . . 5701 1 66 . 1 1 10 10 LEU CG C 13 28.069 0.1 . 1 . . . . . . . . 5701 1 67 . 1 1 10 10 LEU HG H 1 1.345 0.01 . 1 . . . . . . . . 5701 1 68 . 1 1 10 10 LEU CD1 C 13 25.754 0.1 . 1 . . . . . . . . 5701 1 69 . 1 1 10 10 LEU HD11 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 70 . 1 1 10 10 LEU HD12 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 71 . 1 1 10 10 LEU HD13 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 72 . 1 1 10 10 LEU CD2 C 13 25.754 0.1 . 1 . . . . . . . . 5701 1 73 . 1 1 10 10 LEU HD21 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 74 . 1 1 10 10 LEU HD22 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 75 . 1 1 10 10 LEU HD23 H 1 0.906 0.01 . 1 . . . . . . . . 5701 1 76 . 1 1 10 10 LEU C C 13 177.502 0.1 . 1 . . . . . . . . 5701 1 77 . 1 1 11 11 THR N N 15 114.995 0.1 . 1 . . . . . . . . 5701 1 78 . 1 1 11 11 THR H H 1 8.060 0.01 . 1 . . . . . . . . 5701 1 79 . 1 1 11 11 THR CA C 13 61.246 0.1 . 1 . . . . . . . . 5701 1 80 . 1 1 11 11 THR HA H 1 4.462 0.01 . 1 . . . . . . . . 5701 1 81 . 1 1 11 11 THR HB H 1 4.554 0.01 . 1 . . . . . . . . 5701 1 82 . 1 1 11 11 THR HG21 H 1 1.218 0.01 . 1 . . . . . . . . 5701 1 83 . 1 1 11 11 THR HG22 H 1 1.218 0.01 . 1 . . . . . . . . 5701 1 84 . 1 1 11 11 THR HG23 H 1 1.218 0.01 . 1 . . . . . . . . 5701 1 85 . 1 1 13 13 LYS CA C 13 60.310 0.1 . 1 . . . . . . . . 5701 1 86 . 1 1 13 13 LYS HA H 1 3.831 0.01 . 1 . . . . . . . . 5701 1 87 . 1 1 13 13 LYS CB C 13 33.271 0.1 . 1 . . . . . . . . 5701 1 88 . 1 1 13 13 LYS HB3 H 1 1.798 0.01 . 2 . . . . . . . . 5701 1 89 . 1 1 13 13 LYS CG C 13 25.707 0.1 . 1 . . . . . . . . 5701 1 90 . 1 1 13 13 LYS HG3 H 1 1.410 0.01 . 2 . . . . . . . . 5701 1 91 . 1 1 13 13 LYS CD C 13 29.810 0.1 . 1 . . . . . . . . 5701 1 92 . 1 1 13 13 LYS HD3 H 1 1.713 0.01 . 2 . . . . . . . . 5701 1 93 . 1 1 13 13 LYS CE C 13 43.191 0.1 . 1 . . . . . . . . 5701 1 94 . 1 1 13 13 LYS C C 13 177.717 0.1 . 1 . . . . . . . . 5701 1 95 . 1 1 14 14 THR N N 15 116.570 0.1 . 1 . . . . . . . . 5701 1 96 . 1 1 14 14 THR H H 1 7.584 0.01 . 1 . . . . . . . . 5701 1 97 . 1 1 14 14 THR CA C 13 67.336 0.1 . 1 . . . . . . . . 5701 1 98 . 1 1 14 14 THR HA H 1 3.961 0.01 . 1 . . . . . . . . 5701 1 99 . 1 1 14 14 THR CB C 13 70.069 0.1 . 1 . . . . . . . . 5701 1 100 . 1 1 14 14 THR HB H 1 4.065 0.01 . 1 . . . . . . . . 5701 1 101 . 1 1 14 14 THR CG2 C 13 23.138 0.1 . 1 . . . . . . . . 5701 1 102 . 1 1 14 14 THR HG21 H 1 1.201 0.01 . 1 . . . . . . . . 5701 1 103 . 1 1 14 14 THR HG22 H 1 1.201 0.01 . 1 . . . . . . . . 5701 1 104 . 1 1 14 14 THR HG23 H 1 1.201 0.01 . 1 . . . . . . . . 5701 1 105 . 1 1 14 14 THR C C 13 177.626 0.1 . 1 . . . . . . . . 5701 1 106 . 1 1 15 15 VAL N N 15 120.782 0.1 . 1 . . . . . . . . 5701 1 107 . 1 1 15 15 VAL H H 1 6.957 0.01 . 1 . . . . . . . . 5701 1 108 . 1 1 15 15 VAL CA C 13 66.758 0.1 . 1 . . . . . . . . 5701 1 109 . 1 1 15 15 VAL HA H 1 3.251 0.01 . 1 . . . . . . . . 5701 1 110 . 1 1 15 15 VAL CB C 13 31.995 0.1 . 1 . . . . . . . . 5701 1 111 . 1 1 15 15 VAL HB H 1 2.083 0.01 . 1 . . . . . . . . 5701 1 112 . 1 1 15 15 VAL CG2 C 13 21.834 0.1 . 1 . . . . . . . . 5701 1 113 . 1 1 15 15 VAL HG21 H 1 0.243 0.01 . 2 . . . . . . . . 5701 1 114 . 1 1 15 15 VAL HG22 H 1 0.243 0.01 . 2 . . . . . . . . 5701 1 115 . 1 1 15 15 VAL HG23 H 1 0.243 0.01 . 2 . . . . . . . . 5701 1 116 . 1 1 15 15 VAL CG1 C 13 21.552 0.1 . 1 . . . . . . . . 5701 1 117 . 1 1 15 15 VAL HG11 H 1 0.326 0.01 . 2 . . . . . . . . 5701 1 118 . 1 1 15 15 VAL HG12 H 1 0.326 0.01 . 2 . . . . . . . . 5701 1 119 . 1 1 15 15 VAL HG13 H 1 0.326 0.01 . 2 . . . . . . . . 5701 1 120 . 1 1 15 15 VAL C C 13 178.572 0.1 . 1 . . . . . . . . 5701 1 121 . 1 1 16 16 LYS N N 15 121.077 0.1 . 1 . . . . . . . . 5701 1 122 . 1 1 16 16 LYS H H 1 8.012 0.01 . 1 . . . . . . . . 5701 1 123 . 1 1 16 16 LYS CA C 13 60.882 0.1 . 1 . . . . . . . . 5701 1 124 . 1 1 16 16 LYS HA H 1 3.790 0.01 . 1 . . . . . . . . 5701 1 125 . 1 1 16 16 LYS CB C 13 33.013 0.1 . 1 . . . . . . . . 5701 1 126 . 1 1 16 16 LYS HB3 H 1 1.462 0.01 . 2 . . . . . . . . 5701 1 127 . 1 1 16 16 LYS HB2 H 1 1.680 0.01 . 2 . . . . . . . . 5701 1 128 . 1 1 16 16 LYS CG C 13 27.358 0.1 . 1 . . . . . . . . 5701 1 129 . 1 1 16 16 LYS CD C 13 30.548 0.1 . 1 . . . . . . . . 5701 1 130 . 1 1 16 16 LYS CE C 13 43.008 0.1 . 1 . . . . . . . . 5701 1 131 . 1 1 16 16 LYS C C 13 179.472 0.1 . 1 . . . . . . . . 5701 1 132 . 1 1 17 17 ASP N N 15 120.169 0.1 . 1 . . . . . . . . 5701 1 133 . 1 1 17 17 ASP H H 1 8.833 0.01 . 1 . . . . . . . . 5701 1 134 . 1 1 17 17 ASP CA C 13 58.387 0.1 . 1 . . . . . . . . 5701 1 135 . 1 1 17 17 ASP HA H 1 4.473 0.01 . 1 . . . . . . . . 5701 1 136 . 1 1 17 17 ASP CB C 13 40.716 0.1 . 1 . . . . . . . . 5701 1 137 . 1 1 17 17 ASP HB3 H 1 2.685 0.01 . 2 . . . . . . . . 5701 1 138 . 1 1 17 17 ASP HB2 H 1 2.865 0.01 . 2 . . . . . . . . 5701 1 139 . 1 1 17 17 ASP C C 13 179.728 0.1 . 1 . . . . . . . . 5701 1 140 . 1 1 18 18 PHE N N 15 122.658 0.1 . 1 . . . . . . . . 5701 1 141 . 1 1 18 18 PHE H H 1 7.980 0.01 . 1 . . . . . . . . 5701 1 142 . 1 1 18 18 PHE CA C 13 61.548 0.1 . 1 . . . . . . . . 5701 1 143 . 1 1 18 18 PHE HA H 1 4.347 0.01 . 1 . . . . . . . . 5701 1 144 . 1 1 18 18 PHE CB C 13 40.147 0.1 . 1 . . . . . . . . 5701 1 145 . 1 1 18 18 PHE HB3 H 1 2.692 0.01 . 2 . . . . . . . . 5701 1 146 . 1 1 18 18 PHE HB2 H 1 2.880 0.01 . 2 . . . . . . . . 5701 1 147 . 1 1 18 18 PHE CD1 C 13 131.631 0.1 . 3 . . . . . . . . 5701 1 148 . 1 1 18 18 PHE HD1 H 1 7.332 0.01 . 3 . . . . . . . . 5701 1 149 . 1 1 18 18 PHE CE1 C 13 131.495 0.1 . 3 . . . . . . . . 5701 1 150 . 1 1 18 18 PHE HE1 H 1 7.249 0.01 . 3 . . . . . . . . 5701 1 151 . 1 1 18 18 PHE HZ H 1 7.899 0.01 . 1 . . . . . . . . 5701 1 152 . 1 1 18 18 PHE C C 13 178.337 0.1 . 1 . . . . . . . . 5701 1 153 . 1 1 19 19 MET CA C 13 61.548 0.1 . 1 . . . . . . . . 5701 1 154 . 1 1 19 19 MET HA H 1 4.008 0.01 . 1 . . . . . . . . 5701 1 155 . 1 1 19 19 MET CB C 13 34.872 0.1 . 1 . . . . . . . . 5701 1 156 . 1 1 19 19 MET HB3 H 1 1.865 0.01 . 2 . . . . . . . . 5701 1 157 . 1 1 19 19 MET CG C 13 32.768 0.1 . 1 . . . . . . . . 5701 1 158 . 1 1 19 19 MET C C 13 178.105 0.1 . 1 . . . . . . . . 5701 1 159 . 1 1 20 20 LEU N N 15 120.725 0.1 . 1 . . . . . . . . 5701 1 160 . 1 1 20 20 LEU H H 1 8.420 0.01 . 1 . . . . . . . . 5701 1 161 . 1 1 20 20 LEU CA C 13 59.177 0.1 . 1 . . . . . . . . 5701 1 162 . 1 1 20 20 LEU HA H 1 4.096 0.01 . 1 . . . . . . . . 5701 1 163 . 1 1 20 20 LEU CB C 13 42.854 0.1 . 1 . . . . . . . . 5701 1 164 . 1 1 20 20 LEU HB3 H 1 1.966 0.01 . 2 . . . . . . . . 5701 1 165 . 1 1 20 20 LEU HB2 H 1 2.114 0.01 . 2 . . . . . . . . 5701 1 166 . 1 1 20 20 LEU CG C 13 27.609 0.1 . 1 . . . . . . . . 5701 1 167 . 1 1 20 20 LEU HG H 1 1.763 0.01 . 1 . . . . . . . . 5701 1 168 . 1 1 20 20 LEU CD1 C 13 25.681 0.1 . 1 . . . . . . . . 5701 1 169 . 1 1 20 20 LEU HD11 H 1 1.014 0.01 . 2 . . . . . . . . 5701 1 170 . 1 1 20 20 LEU HD12 H 1 1.014 0.01 . 2 . . . . . . . . 5701 1 171 . 1 1 20 20 LEU HD13 H 1 1.014 0.01 . 2 . . . . . . . . 5701 1 172 . 1 1 20 20 LEU CD2 C 13 25.681 0.1 . 1 . . . . . . . . 5701 1 173 . 1 1 20 20 LEU C C 13 179.418 0.1 . 1 . . . . . . . . 5701 1 174 . 1 1 21 21 GLN N N 15 119.660 0.1 . 1 . . . . . . . . 5701 1 175 . 1 1 21 21 GLN H H 1 8.096 0.01 . 1 . . . . . . . . 5701 1 176 . 1 1 21 21 GLN CA C 13 59.807 0.1 . 1 . . . . . . . . 5701 1 177 . 1 1 21 21 GLN HA H 1 4.068 0.01 . 1 . . . . . . . . 5701 1 178 . 1 1 21 21 GLN CB C 13 28.390 0.1 . 1 . . . . . . . . 5701 1 179 . 1 1 21 21 GLN HB3 H 1 2.152 0.01 . 2 . . . . . . . . 5701 1 180 . 1 1 21 21 GLN HB2 H 1 2.214 0.01 . 2 . . . . . . . . 5701 1 181 . 1 1 21 21 GLN HG3 H 1 2.554 0.01 . 2 . . . . . . . . 5701 1 182 . 1 1 21 21 GLN HG2 H 1 2.388 0.01 . 2 . . . . . . . . 5701 1 183 . 1 1 21 21 GLN C C 13 180.257 0.1 . 1 . . . . . . . . 5701 1 184 . 1 1 22 22 LYS CA C 13 58.355 0.1 . 1 . . . . . . . . 5701 1 185 . 1 1 22 22 LYS HA H 1 3.917 0.01 . 1 . . . . . . . . 5701 1 186 . 1 1 22 22 LYS CB C 13 31.436 0.1 . 1 . . . . . . . . 5701 1 187 . 1 1 22 22 LYS HB3 H 1 1.471 0.01 . 2 . . . . . . . . 5701 1 188 . 1 1 22 22 LYS HB2 H 1 1.754 0.01 . 2 . . . . . . . . 5701 1 189 . 1 1 22 22 LYS CG C 13 25.168 0.1 . 1 . . . . . . . . 5701 1 190 . 1 1 22 22 LYS CD C 13 28.639 0.1 . 1 . . . . . . . . 5701 1 191 . 1 1 22 22 LYS CE C 13 43.074 0.1 . 1 . . . . . . . . 5701 1 192 . 1 1 22 22 LYS HE2 H 1 2.805 0.01 . 2 . . . . . . . . 5701 1 193 . 1 1 22 22 LYS C C 13 180.573 0.1 . 1 . . . . . . . . 5701 1 194 . 1 1 23 23 LEU N N 15 123.285 0.1 . 1 . . . . . . . . 5701 1 195 . 1 1 23 23 LEU H H 1 8.661 0.01 . 1 . . . . . . . . 5701 1 196 . 1 1 23 23 LEU CA C 13 59.071 0.1 . 1 . . . . . . . . 5701 1 197 . 1 1 23 23 LEU HA H 1 4.075 0.01 . 1 . . . . . . . . 5701 1 198 . 1 1 23 23 LEU CB C 13 42.191 0.1 . 1 . . . . . . . . 5701 1 199 . 1 1 23 23 LEU HB3 H 1 1.557 0.01 . 2 . . . . . . . . 5701 1 200 . 1 1 23 23 LEU HB2 H 1 2.196 0.01 . 2 . . . . . . . . 5701 1 201 . 1 1 23 23 LEU CG C 13 27.562 0.1 . 1 . . . . . . . . 5701 1 202 . 1 1 23 23 LEU HG H 1 1.799 0.01 . 1 . . . . . . . . 5701 1 203 . 1 1 23 23 LEU CD1 C 13 24.931 0.1 . 1 . . . . . . . . 5701 1 204 . 1 1 23 23 LEU HD11 H 1 0.907 0.01 . 2 . . . . . . . . 5701 1 205 . 1 1 23 23 LEU HD12 H 1 0.907 0.01 . 2 . . . . . . . . 5701 1 206 . 1 1 23 23 LEU HD13 H 1 0.907 0.01 . 2 . . . . . . . . 5701 1 207 . 1 1 23 23 LEU CD2 C 13 24.931 0.1 . 1 . . . . . . . . 5701 1 208 . 1 1 23 23 LEU HD21 H 1 0.809 0.01 . 2 . . . . . . . . 5701 1 209 . 1 1 23 23 LEU HD22 H 1 0.809 0.01 . 2 . . . . . . . . 5701 1 210 . 1 1 23 23 LEU HD23 H 1 0.809 0.01 . 2 . . . . . . . . 5701 1 211 . 1 1 23 23 LEU C C 13 180.611 0.1 . 1 . . . . . . . . 5701 1 212 . 1 1 24 24 ASN N N 15 120.250 0.1 . 1 . . . . . . . . 5701 1 213 . 1 1 24 24 ASN H H 1 8.637 0.01 . 1 . . . . . . . . 5701 1 214 . 1 1 24 24 ASN CA C 13 57.183 0.1 . 1 . . . . . . . . 5701 1 215 . 1 1 24 24 ASN HA H 1 4.479 0.01 . 1 . . . . . . . . 5701 1 216 . 1 1 24 24 ASN CB C 13 38.844 0.1 . 1 . . . . . . . . 5701 1 217 . 1 1 24 24 ASN HB3 H 1 2.985 0.01 . 2 . . . . . . . . 5701 1 218 . 1 1 24 24 ASN HB2 H 1 2.941 0.01 . 2 . . . . . . . . 5701 1 219 . 1 1 24 24 ASN C C 13 179.382 0.1 . 1 . . . . . . . . 5701 1 220 . 1 1 25 25 SER N N 15 116.810 0.1 . 1 . . . . . . . . 5701 1 221 . 1 1 25 25 SER H H 1 8.009 0.01 . 1 . . . . . . . . 5701 1 222 . 1 1 25 25 SER CA C 13 62.013 0.1 . 1 . . . . . . . . 5701 1 223 . 1 1 25 25 SER HA H 1 4.309 0.01 . 1 . . . . . . . . 5701 1 224 . 1 1 25 25 SER CB C 13 64.119 0.1 . 1 . . . . . . . . 5701 1 225 . 1 1 25 25 SER HB3 H 1 4.332 0.01 . 2 . . . . . . . . 5701 1 226 . 1 1 25 25 SER HB2 H 1 4.050 0.01 . 2 . . . . . . . . 5701 1 227 . 1 1 25 25 SER C C 13 175.771 0.1 . 1 . . . . . . . . 5701 1 228 . 1 1 26 26 LEU N N 15 122.379 0.1 . 1 . . . . . . . . 5701 1 229 . 1 1 26 26 LEU H H 1 7.584 0.01 . 1 . . . . . . . . 5701 1 230 . 1 1 26 26 LEU CA C 13 57.309 0.1 . 1 . . . . . . . . 5701 1 231 . 1 1 26 26 LEU HA H 1 4.128 0.01 . 1 . . . . . . . . 5701 1 232 . 1 1 26 26 LEU CB C 13 42.788 0.1 . 1 . . . . . . . . 5701 1 233 . 1 1 26 26 LEU HB3 H 1 1.543 0.01 . 2 . . . . . . . . 5701 1 234 . 1 1 26 26 LEU HB2 H 1 2.050 0.01 . 2 . . . . . . . . 5701 1 235 . 1 1 26 26 LEU CG C 13 26.681 0.1 . 1 . . . . . . . . 5701 1 236 . 1 1 26 26 LEU HG H 1 1.074 0.01 . 1 . . . . . . . . 5701 1 237 . 1 1 26 26 LEU CD1 C 13 22.975 0.1 . 1 . . . . . . . . 5701 1 238 . 1 1 26 26 LEU HD11 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 239 . 1 1 26 26 LEU HD12 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 240 . 1 1 26 26 LEU HD13 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 241 . 1 1 26 26 LEU CD2 C 13 22.975 0.1 . 1 . . . . . . . . 5701 1 242 . 1 1 26 26 LEU HD21 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 243 . 1 1 26 26 LEU HD22 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 244 . 1 1 26 26 LEU HD23 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 245 . 1 1 26 26 LEU C C 13 177.846 0.1 . 1 . . . . . . . . 5701 1 246 . 1 1 27 27 ASP N N 15 117.318 0.1 . 1 . . . . . . . . 5701 1 247 . 1 1 27 27 ASP H H 1 7.617 0.01 . 1 . . . . . . . . 5701 1 248 . 1 1 27 27 ASP CA C 13 54.809 0.1 . 1 . . . . . . . . 5701 1 249 . 1 1 27 27 ASP HA H 1 4.432 0.01 . 1 . . . . . . . . 5701 1 250 . 1 1 27 27 ASP CB C 13 40.041 0.1 . 1 . . . . . . . . 5701 1 251 . 1 1 27 27 ASP HB3 H 1 2.219 0.01 . 2 . . . . . . . . 5701 1 252 . 1 1 27 27 ASP HB2 H 1 2.297 0.01 . 2 . . . . . . . . 5701 1 253 . 1 1 27 27 ASP C C 13 176.216 0.1 . 1 . . . . . . . . 5701 1 254 . 1 1 28 28 ILE N N 15 124.409 0.1 . 1 . . . . . . . . 5701 1 255 . 1 1 28 28 ILE H H 1 9.454 0.01 . 1 . . . . . . . . 5701 1 256 . 1 1 28 28 ILE CA C 13 66.791 0.1 . 1 . . . . . . . . 5701 1 257 . 1 1 28 28 ILE HA H 1 3.868 0.01 . 1 . . . . . . . . 5701 1 258 . 1 1 28 28 ILE CB C 13 39.701 0.1 . 1 . . . . . . . . 5701 1 259 . 1 1 28 28 ILE HB H 1 1.598 0.01 . 1 . . . . . . . . 5701 1 260 . 1 1 28 28 ILE CG1 C 13 29.474 0.1 . 2 . . . . . . . . 5701 1 261 . 1 1 28 28 ILE HG12 H 1 1.518 0.01 . 1 . . . . . . . . 5701 1 262 . 1 1 28 28 ILE CD1 C 13 14.431 0.1 . 1 . . . . . . . . 5701 1 263 . 1 1 28 28 ILE HD11 H 1 0.239 0.01 . 1 . . . . . . . . 5701 1 264 . 1 1 28 28 ILE HD12 H 1 0.239 0.01 . 1 . . . . . . . . 5701 1 265 . 1 1 28 28 ILE HD13 H 1 0.239 0.01 . 1 . . . . . . . . 5701 1 266 . 1 1 28 28 ILE CG2 C 13 18.034 0.1 . 1 . . . . . . . . 5701 1 267 . 1 1 28 28 ILE HG21 H 1 0.916 0.01 . 1 . . . . . . . . 5701 1 268 . 1 1 28 28 ILE HG22 H 1 0.916 0.01 . 1 . . . . . . . . 5701 1 269 . 1 1 28 28 ILE HG23 H 1 0.916 0.01 . 1 . . . . . . . . 5701 1 270 . 1 1 28 28 ILE C C 13 179.762 0.1 . 1 . . . . . . . . 5701 1 271 . 1 1 29 29 LYS N N 15 116.384 0.1 . 1 . . . . . . . . 5701 1 272 . 1 1 29 29 LYS H H 1 8.595 0.01 . 1 . . . . . . . . 5701 1 273 . 1 1 29 29 LYS CA C 13 61.025 0.1 . 1 . . . . . . . . 5701 1 274 . 1 1 29 29 LYS HA H 1 3.951 0.01 . 1 . . . . . . . . 5701 1 275 . 1 1 29 29 LYS CB C 13 32.675 0.1 . 1 . . . . . . . . 5701 1 276 . 1 1 29 29 LYS HB3 H 1 1.779 0.01 . 2 . . . . . . . . 5701 1 277 . 1 1 29 29 LYS HB2 H 1 1.906 0.01 . 2 . . . . . . . . 5701 1 278 . 1 1 29 29 LYS CG C 13 26.212 0.1 . 1 . . . . . . . . 5701 1 279 . 1 1 29 29 LYS HG3 H 1 1.349 0.01 . 2 . . . . . . . . 5701 1 280 . 1 1 29 29 LYS HG2 H 1 1.558 0.01 . 2 . . . . . . . . 5701 1 281 . 1 1 29 29 LYS CD C 13 30.302 0.1 . 1 . . . . . . . . 5701 1 282 . 1 1 29 29 LYS HD3 H 1 1.768 0.01 . 2 . . . . . . . . 5701 1 283 . 1 1 29 29 LYS CE C 13 42.655 0.1 . 1 . . . . . . . . 5701 1 284 . 1 1 29 29 LYS HE2 H 1 2.998 0.01 . 2 . . . . . . . . 5701 1 285 . 1 1 29 29 LYS C C 13 180.628 0.1 . 1 . . . . . . . . 5701 1 286 . 1 1 30 30 GLY N N 15 110.979 0.1 . 1 . . . . . . . . 5701 1 287 . 1 1 30 30 GLY H H 1 7.830 0.01 . 1 . . . . . . . . 5701 1 288 . 1 1 30 30 GLY CA C 13 47.969 0.1 . 1 . . . . . . . . 5701 1 289 . 1 1 30 30 GLY HA3 H 1 4.137 0.01 . 2 . . . . . . . . 5701 1 290 . 1 1 30 30 GLY HA2 H 1 3.757 0.01 . 2 . . . . . . . . 5701 1 291 . 1 1 30 30 GLY C C 13 178.175 0.1 . 1 . . . . . . . . 5701 1 292 . 1 1 31 31 ASN N N 15 122.009 0.1 . 1 . . . . . . . . 5701 1 293 . 1 1 31 31 ASN H H 1 8.470 0.01 . 1 . . . . . . . . 5701 1 294 . 1 1 31 31 ASN CA C 13 57.653 0.1 . 1 . . . . . . . . 5701 1 295 . 1 1 31 31 ASN HA H 1 4.212 0.01 . 1 . . . . . . . . 5701 1 296 . 1 1 31 31 ASN CB C 13 38.667 0.1 . 1 . . . . . . . . 5701 1 297 . 1 1 31 31 ASN HB3 H 1 1.452 0.01 . 2 . . . . . . . . 5701 1 298 . 1 1 31 31 ASN HB2 H 1 2.447 0.01 . 2 . . . . . . . . 5701 1 299 . 1 1 31 31 ASN ND2 N 15 111.446 0.1 . 1 . . . . . . . . 5701 1 300 . 1 1 31 31 ASN HD21 H 1 6.810 0.01 . 2 . . . . . . . . 5701 1 301 . 1 1 31 31 ASN HD22 H 1 7.359 0.01 . 2 . . . . . . . . 5701 1 302 . 1 1 31 31 ASN C C 13 178.428 0.1 . 1 . . . . . . . . 5701 1 303 . 1 1 32 32 ALA N N 15 121.643 0.1 . 1 . . . . . . . . 5701 1 304 . 1 1 32 32 ALA H H 1 8.542 0.01 . 1 . . . . . . . . 5701 1 305 . 1 1 32 32 ALA CA C 13 55.664 0.1 . 1 . . . . . . . . 5701 1 306 . 1 1 32 32 ALA HA H 1 4.289 0.01 . 1 . . . . . . . . 5701 1 307 . 1 1 32 32 ALA CB C 13 19.975 0.1 . 1 . . . . . . . . 5701 1 308 . 1 1 32 32 ALA HB1 H 1 1.619 0.01 . 1 . . . . . . . . 5701 1 309 . 1 1 32 32 ALA HB2 H 1 1.619 0.01 . 1 . . . . . . . . 5701 1 310 . 1 1 32 32 ALA HB3 H 1 1.619 0.01 . 1 . . . . . . . . 5701 1 311 . 1 1 32 32 ALA C C 13 179.136 0.1 . 1 . . . . . . . . 5701 1 312 . 1 1 33 33 SER N N 15 112.652 0.1 . 1 . . . . . . . . 5701 1 313 . 1 1 33 33 SER H H 1 7.796 0.01 . 1 . . . . . . . . 5701 1 314 . 1 1 33 33 SER CA C 13 61.589 0.1 . 1 . . . . . . . . 5701 1 315 . 1 1 33 33 SER HA H 1 4.289 0.01 . 1 . . . . . . . . 5701 1 316 . 1 1 33 33 SER CB C 13 64.056 0.1 . 1 . . . . . . . . 5701 1 317 . 1 1 33 33 SER HB2 H 1 4.033 0.01 . 2 . . . . . . . . 5701 1 318 . 1 1 33 33 SER C C 13 176.256 0.1 . 1 . . . . . . . . 5701 1 319 . 1 1 34 34 LYS N N 15 118.821 0.1 . 1 . . . . . . . . 5701 1 320 . 1 1 34 34 LYS H H 1 7.294 0.01 . 1 . . . . . . . . 5701 1 321 . 1 1 34 34 LYS CA C 13 57.978 0.1 . 1 . . . . . . . . 5701 1 322 . 1 1 34 34 LYS HA H 1 4.343 0.01 . 1 . . . . . . . . 5701 1 323 . 1 1 34 34 LYS CB C 13 34.845 0.1 . 1 . . . . . . . . 5701 1 324 . 1 1 34 34 LYS HB3 H 1 1.727 0.01 . 2 . . . . . . . . 5701 1 325 . 1 1 34 34 LYS HB2 H 1 1.837 0.01 . 2 . . . . . . . . 5701 1 326 . 1 1 34 34 LYS CG C 13 25.701 0.1 . 1 . . . . . . . . 5701 1 327 . 1 1 34 34 LYS HG3 H 1 1.511 0.01 . 2 . . . . . . . . 5701 1 328 . 1 1 34 34 LYS HG2 H 1 1.613 0.01 . 2 . . . . . . . . 5701 1 329 . 1 1 34 34 LYS CD C 13 30.260 0.1 . 1 . . . . . . . . 5701 1 330 . 1 1 34 34 LYS HD3 H 1 2.069 0.01 . 2 . . . . . . . . 5701 1 331 . 1 1 34 34 LYS HD2 H 1 1.987 0.01 . 2 . . . . . . . . 5701 1 332 . 1 1 34 34 LYS CE C 13 42.962 0.1 . 1 . . . . . . . . 5701 1 333 . 1 1 34 34 LYS HE3 H 1 2.069 0.01 . 2 . . . . . . . . 5701 1 334 . 1 1 34 34 LYS HE2 H 1 2.965 0.01 . 2 . . . . . . . . 5701 1 335 . 1 1 34 34 LYS C C 13 179.992 0.1 . 1 . . . . . . . . 5701 1 336 . 1 1 35 35 ASP N N 15 118.129 0.1 . 1 . . . . . . . . 5701 1 337 . 1 1 35 35 ASP H H 1 7.451 0.01 . 1 . . . . . . . . 5701 1 338 . 1 1 35 35 ASP CA C 13 51.773 0.1 . 1 . . . . . . . . 5701 1 339 . 1 1 35 35 ASP HA H 1 5.231 0.01 . 1 . . . . . . . . 5701 1 340 . 1 1 35 35 ASP CB C 13 43.690 0.1 . 1 . . . . . . . . 5701 1 341 . 1 1 35 35 ASP HB3 H 1 2.530 0.01 . 2 . . . . . . . . 5701 1 342 . 1 1 35 35 ASP HB2 H 1 3.081 0.01 . 2 . . . . . . . . 5701 1 343 . 1 1 35 35 ASP C C 13 174.322 0.1 . 1 . . . . . . . . 5701 1 344 . 1 1 36 36 PRO CA C 13 65.326 0.1 . 1 . . . . . . . . 5701 1 345 . 1 1 36 36 PRO HA H 1 4.517 0.01 . 1 . . . . . . . . 5701 1 346 . 1 1 36 36 PRO CB C 13 33.266 0.1 . 1 . . . . . . . . 5701 1 347 . 1 1 36 36 PRO HB3 H 1 2.142 0.01 . 2 . . . . . . . . 5701 1 348 . 1 1 36 36 PRO HB2 H 1 2.490 0.01 . 2 . . . . . . . . 5701 1 349 . 1 1 36 36 PRO CG C 13 28.237 0.1 . 1 . . . . . . . . 5701 1 350 . 1 1 36 36 PRO HG3 H 1 2.032 0.01 . 2 . . . . . . . . 5701 1 351 . 1 1 36 36 PRO HG2 H 1 2.045 0.01 . 2 . . . . . . . . 5701 1 352 . 1 1 36 36 PRO CD C 13 51.866 0.1 . 1 . . . . . . . . 5701 1 353 . 1 1 36 36 PRO HD3 H 1 3.827 0.01 . 2 . . . . . . . . 5701 1 354 . 1 1 36 36 PRO HD2 H 1 4.042 0.01 . 2 . . . . . . . . 5701 1 355 . 1 1 36 36 PRO C C 13 179.968 0.1 . 1 . . . . . . . . 5701 1 356 . 1 1 37 37 ALA N N 15 122.599 0.1 . 1 . . . . . . . . 5701 1 357 . 1 1 37 37 ALA H H 1 8.258 0.01 . 1 . . . . . . . . 5701 1 358 . 1 1 37 37 ALA CA C 13 55.964 0.1 . 1 . . . . . . . . 5701 1 359 . 1 1 37 37 ALA HA H 1 4.292 0.01 . 1 . . . . . . . . 5701 1 360 . 1 1 37 37 ALA CB C 13 19.651 0.1 . 1 . . . . . . . . 5701 1 361 . 1 1 37 37 ALA HB1 H 1 1.541 0.01 . 1 . . . . . . . . 5701 1 362 . 1 1 37 37 ALA HB2 H 1 1.541 0.01 . 1 . . . . . . . . 5701 1 363 . 1 1 37 37 ALA HB3 H 1 1.541 0.01 . 1 . . . . . . . . 5701 1 364 . 1 1 37 37 ALA C C 13 180.554 0.1 . 1 . . . . . . . . 5701 1 365 . 1 1 38 38 TYR N N 15 122.192 0.1 . 1 . . . . . . . . 5701 1 366 . 1 1 38 38 TYR H H 1 7.636 0.01 . 1 . . . . . . . . 5701 1 367 . 1 1 38 38 TYR CA C 13 61.888 0.1 . 1 . . . . . . . . 5701 1 368 . 1 1 38 38 TYR HA H 1 4.165 0.01 . 1 . . . . . . . . 5701 1 369 . 1 1 38 38 TYR CB C 13 38.967 0.1 . 1 . . . . . . . . 5701 1 370 . 1 1 38 38 TYR HB3 H 1 3.113 0.01 . 2 . . . . . . . . 5701 1 371 . 1 1 38 38 TYR HB2 H 1 3.317 0.01 . 2 . . . . . . . . 5701 1 372 . 1 1 38 38 TYR CD1 C 13 132.567 0.1 . 3 . . . . . . . . 5701 1 373 . 1 1 38 38 TYR HD1 H 1 6.842 0.01 . 3 . . . . . . . . 5701 1 374 . 1 1 38 38 TYR CE1 C 13 119.477 0.1 . 3 . . . . . . . . 5701 1 375 . 1 1 38 38 TYR HE2 H 1 6.949 0.01 . 3 . . . . . . . . 5701 1 376 . 1 1 38 38 TYR HE1 H 1 6.951 0.01 . 3 . . . . . . . . 5701 1 377 . 1 1 38 38 TYR C C 13 180.554 0.1 . 1 . . . . . . . . 5701 1 378 . 1 1 39 39 ALA N N 15 124.612 0.1 . 1 . . . . . . . . 5701 1 379 . 1 1 39 39 ALA H H 1 8.419 0.01 . 1 . . . . . . . . 5701 1 380 . 1 1 39 39 ALA CA C 13 57.275 0.1 . 1 . . . . . . . . 5701 1 381 . 1 1 39 39 ALA HA H 1 3.814 0.01 . 1 . . . . . . . . 5701 1 382 . 1 1 39 39 ALA CB C 13 19.059 0.1 . 1 . . . . . . . . 5701 1 383 . 1 1 39 39 ALA HB1 H 1 1.714 0.01 . 1 . . . . . . . . 5701 1 384 . 1 1 39 39 ALA HB2 H 1 1.714 0.01 . 1 . . . . . . . . 5701 1 385 . 1 1 39 39 ALA HB3 H 1 1.714 0.01 . 1 . . . . . . . . 5701 1 386 . 1 1 39 39 ALA C C 13 179.188 0.1 . 1 . . . . . . . . 5701 1 387 . 1 1 40 40 ARG N N 15 118.207 0.1 . 1 . . . . . . . . 5701 1 388 . 1 1 40 40 ARG H H 1 8.079 0.01 . 1 . . . . . . . . 5701 1 389 . 1 1 40 40 ARG CA C 13 60.281 0.1 . 1 . . . . . . . . 5701 1 390 . 1 1 40 40 ARG HA H 1 3.519 0.01 . 1 . . . . . . . . 5701 1 391 . 1 1 40 40 ARG CB C 13 30.535 0.1 . 1 . . . . . . . . 5701 1 392 . 1 1 40 40 ARG HB3 H 1 1.917 0.01 . 2 . . . . . . . . 5701 1 393 . 1 1 40 40 ARG HB2 H 1 2.160 0.01 . 2 . . . . . . . . 5701 1 394 . 1 1 40 40 ARG CG C 13 26.257 0.1 . 1 . . . . . . . . 5701 1 395 . 1 1 40 40 ARG CD C 13 43.944 0.1 . 1 . . . . . . . . 5701 1 396 . 1 1 40 40 ARG C C 13 178.897 0.1 . 1 . . . . . . . . 5701 1 397 . 1 1 41 41 GLN N N 15 118.398 0.1 . 1 . . . . . . . . 5701 1 398 . 1 1 41 41 GLN H H 1 8.301 0.01 . 1 . . . . . . . . 5701 1 399 . 1 1 41 41 GLN CA C 13 59.816 0.1 . 1 . . . . . . . . 5701 1 400 . 1 1 41 41 GLN HA H 1 3.965 0.01 . 1 . . . . . . . . 5701 1 401 . 1 1 41 41 GLN CB C 13 28.895 0.1 . 1 . . . . . . . . 5701 1 402 . 1 1 41 41 GLN HB3 H 1 2.056 0.01 . 2 . . . . . . . . 5701 1 403 . 1 1 41 41 GLN HB2 H 1 2.143 0.01 . 2 . . . . . . . . 5701 1 404 . 1 1 41 41 GLN CG C 13 35.235 0.1 . 1 . . . . . . . . 5701 1 405 . 1 1 41 41 GLN HG3 H 1 2.349 0.01 . 2 . . . . . . . . 5701 1 406 . 1 1 41 41 GLN HG2 H 1 2.465 0.01 . 2 . . . . . . . . 5701 1 407 . 1 1 41 41 GLN C C 13 180.152 0.1 . 1 . . . . . . . . 5701 1 408 . 1 1 42 42 THR N N 15 119.162 0.1 . 1 . . . . . . . . 5701 1 409 . 1 1 42 42 THR H H 1 8.275 0.01 . 1 . . . . . . . . 5701 1 410 . 1 1 42 42 THR CA C 13 68.495 0.1 . 1 . . . . . . . . 5701 1 411 . 1 1 42 42 THR HA H 1 3.774 0.01 . 1 . . . . . . . . 5701 1 412 . 1 1 42 42 THR CB C 13 69.191 0.1 . 1 . . . . . . . . 5701 1 413 . 1 1 42 42 THR HB H 1 4.027 0.01 . 1 . . . . . . . . 5701 1 414 . 1 1 42 42 THR CG2 C 13 22.550 0.1 . 1 . . . . . . . . 5701 1 415 . 1 1 42 42 THR HG21 H 1 1.089 0.01 . 1 . . . . . . . . 5701 1 416 . 1 1 42 42 THR HG22 H 1 1.089 0.01 . 1 . . . . . . . . 5701 1 417 . 1 1 42 42 THR HG23 H 1 1.089 0.01 . 1 . . . . . . . . 5701 1 418 . 1 1 42 42 THR C C 13 176.303 0.1 . 1 . . . . . . . . 5701 1 419 . 1 1 43 43 CYS N N 15 120.162 0.1 . 1 . . . . . . . . 5701 1 420 . 1 1 43 43 CYS H H 1 7.973 0.01 . 1 . . . . . . . . 5701 1 421 . 1 1 43 43 CYS CA C 13 65.484 0.1 . 1 . . . . . . . . 5701 1 422 . 1 1 43 43 CYS HA H 1 3.839 0.01 . 1 . . . . . . . . 5701 1 423 . 1 1 43 43 CYS CB C 13 28.684 0.1 . 1 . . . . . . . . 5701 1 424 . 1 1 43 43 CYS HB3 H 1 2.500 0.01 . 2 . . . . . . . . 5701 1 425 . 1 1 43 43 CYS HB2 H 1 2.744 0.01 . 2 . . . . . . . . 5701 1 426 . 1 1 43 43 CYS C C 13 177.928 0.1 . 1 . . . . . . . . 5701 1 427 . 1 1 44 44 GLU N N 15 118.600 0.1 . 1 . . . . . . . . 5701 1 428 . 1 1 44 44 GLU H H 1 8.491 0.01 . 1 . . . . . . . . 5701 1 429 . 1 1 44 44 GLU CA C 13 60.522 0.1 . 1 . . . . . . . . 5701 1 430 . 1 1 44 44 GLU HA H 1 3.691 0.01 . 1 . . . . . . . . 5701 1 431 . 1 1 44 44 GLU CB C 13 30.654 0.1 . 1 . . . . . . . . 5701 1 432 . 1 1 44 44 GLU HB3 H 1 2.185 0.01 . 2 . . . . . . . . 5701 1 433 . 1 1 44 44 GLU HB2 H 1 1.923 0.01 . 2 . . . . . . . . 5701 1 434 . 1 1 44 44 GLU CG C 13 37.553 0.1 . 1 . . . . . . . . 5701 1 435 . 1 1 44 44 GLU HG3 H 1 2.349 0.01 . 2 . . . . . . . . 5701 1 436 . 1 1 44 44 GLU HG2 H 1 2.537 0.01 . 2 . . . . . . . . 5701 1 437 . 1 1 44 44 GLU C C 13 179.617 0.1 . 1 . . . . . . . . 5701 1 438 . 1 1 45 45 ALA N N 15 122.820 0.1 . 1 . . . . . . . . 5701 1 439 . 1 1 45 45 ALA H H 1 8.260 0.01 . 1 . . . . . . . . 5701 1 440 . 1 1 45 45 ALA CA C 13 56.080 0.1 . 1 . . . . . . . . 5701 1 441 . 1 1 45 45 ALA HA H 1 4.257 0.01 . 1 . . . . . . . . 5701 1 442 . 1 1 45 45 ALA CB C 13 19.247 0.1 . 1 . . . . . . . . 5701 1 443 . 1 1 45 45 ALA HB1 H 1 1.574 0.01 . 1 . . . . . . . . 5701 1 444 . 1 1 45 45 ALA HB2 H 1 1.574 0.01 . 1 . . . . . . . . 5701 1 445 . 1 1 45 45 ALA HB3 H 1 1.574 0.01 . 1 . . . . . . . . 5701 1 446 . 1 1 45 45 ALA C C 13 181.857 0.1 . 1 . . . . . . . . 5701 1 447 . 1 1 46 46 ILE N N 15 118.888 0.1 . 1 . . . . . . . . 5701 1 448 . 1 1 46 46 ILE H H 1 8.354 0.01 . 1 . . . . . . . . 5701 1 449 . 1 1 46 46 ILE CA C 13 63.533 0.1 . 1 . . . . . . . . 5701 1 450 . 1 1 46 46 ILE HA H 1 4.003 0.01 . 1 . . . . . . . . 5701 1 451 . 1 1 46 46 ILE CB C 13 37.254 0.1 . 1 . . . . . . . . 5701 1 452 . 1 1 46 46 ILE HB H 1 2.520 0.01 . 1 . . . . . . . . 5701 1 453 . 1 1 46 46 ILE CG1 C 13 28.610 0.1 . 2 . . . . . . . . 5701 1 454 . 1 1 46 46 ILE HG13 H 1 1.667 0.01 . 1 . . . . . . . . 5701 1 455 . 1 1 46 46 ILE HG12 H 1 2.021 0.01 . 1 . . . . . . . . 5701 1 456 . 1 1 46 46 ILE CD1 C 13 11.170 0.1 . 1 . . . . . . . . 5701 1 457 . 1 1 46 46 ILE HD11 H 1 1.054 0.01 . 1 . . . . . . . . 5701 1 458 . 1 1 46 46 ILE HD12 H 1 1.054 0.01 . 1 . . . . . . . . 5701 1 459 . 1 1 46 46 ILE HD13 H 1 1.054 0.01 . 1 . . . . . . . . 5701 1 460 . 1 1 46 46 ILE CG2 C 13 18.819 0.1 . 1 . . . . . . . . 5701 1 461 . 1 1 46 46 ILE C C 13 179.329 0.1 . 1 . . . . . . . . 5701 1 462 . 1 1 47 47 LEU N N 15 118.813 0.1 . 1 . . . . . . . . 5701 1 463 . 1 1 47 47 LEU H H 1 8.497 0.01 . 1 . . . . . . . . 5701 1 464 . 1 1 47 47 LEU CA C 13 59.366 0.1 . 1 . . . . . . . . 5701 1 465 . 1 1 47 47 LEU HA H 1 4.257 0.01 . 1 . . . . . . . . 5701 1 466 . 1 1 47 47 LEU CB C 13 41.801 0.1 . 1 . . . . . . . . 5701 1 467 . 1 1 47 47 LEU HB3 H 1 2.166 0.01 . 2 . . . . . . . . 5701 1 468 . 1 1 47 47 LEU HB2 H 1 1.994 0.01 . 2 . . . . . . . . 5701 1 469 . 1 1 47 47 LEU CG C 13 26.848 0.1 . 1 . . . . . . . . 5701 1 470 . 1 1 47 47 LEU HG H 1 1.086 0.01 . 1 . . . . . . . . 5701 1 471 . 1 1 47 47 LEU CD1 C 13 21.984 0.1 . 1 . . . . . . . . 5701 1 472 . 1 1 47 47 LEU HD11 H 1 0.785 0.01 . 2 . . . . . . . . 5701 1 473 . 1 1 47 47 LEU HD12 H 1 0.785 0.01 . 2 . . . . . . . . 5701 1 474 . 1 1 47 47 LEU HD13 H 1 0.785 0.01 . 2 . . . . . . . . 5701 1 475 . 1 1 47 47 LEU CD2 C 13 21.984 0.1 . 1 . . . . . . . . 5701 1 476 . 1 1 47 47 LEU HD21 H 1 0.660 0.01 . 2 . . . . . . . . 5701 1 477 . 1 1 47 47 LEU HD22 H 1 0.660 0.01 . 2 . . . . . . . . 5701 1 478 . 1 1 47 47 LEU HD23 H 1 0.660 0.01 . 2 . . . . . . . . 5701 1 479 . 1 1 47 47 LEU C C 13 180.381 0.1 . 1 . . . . . . . . 5701 1 480 . 1 1 48 48 SER N N 15 117.022 0.1 . 1 . . . . . . . . 5701 1 481 . 1 1 48 48 SER H H 1 8.869 0.01 . 1 . . . . . . . . 5701 1 482 . 1 1 48 48 SER CA C 13 63.578 0.1 . 1 . . . . . . . . 5701 1 483 . 1 1 48 48 SER HA H 1 4.185 0.01 . 1 . . . . . . . . 5701 1 484 . 1 1 48 48 SER CB C 13 63.578 0.1 . 1 . . . . . . . . 5701 1 485 . 1 1 48 48 SER HB3 H 1 4.265 0.01 . 2 . . . . . . . . 5701 1 486 . 1 1 48 48 SER HB2 H 1 4.042 0.01 . 2 . . . . . . . . 5701 1 487 . 1 1 48 48 SER HG H 1 5.266 0.01 . 1 . . . . . . . . 5701 1 488 . 1 1 48 48 SER C C 13 177.331 0.1 . 1 . . . . . . . . 5701 1 489 . 1 1 49 49 ALA N N 15 126.080 0.1 . 1 . . . . . . . . 5701 1 490 . 1 1 49 49 ALA H H 1 7.860 0.01 . 1 . . . . . . . . 5701 1 491 . 1 1 49 49 ALA CA C 13 56.006 0.1 . 1 . . . . . . . . 5701 1 492 . 1 1 49 49 ALA HA H 1 4.467 0.01 . 1 . . . . . . . . 5701 1 493 . 1 1 49 49 ALA CB C 13 18.167 0.1 . 1 . . . . . . . . 5701 1 494 . 1 1 49 49 ALA HB1 H 1 1.625 0.01 . 1 . . . . . . . . 5701 1 495 . 1 1 49 49 ALA HB2 H 1 1.625 0.01 . 1 . . . . . . . . 5701 1 496 . 1 1 49 49 ALA HB3 H 1 1.625 0.01 . 1 . . . . . . . . 5701 1 497 . 1 1 49 49 ALA C C 13 180.250 0.1 . 1 . . . . . . . . 5701 1 498 . 1 1 50 50 VAL N N 15 121.118 0.1 . 1 . . . . . . . . 5701 1 499 . 1 1 50 50 VAL H H 1 8.158 0.01 . 1 . . . . . . . . 5701 1 500 . 1 1 50 50 VAL CA C 13 67.523 0.1 . 1 . . . . . . . . 5701 1 501 . 1 1 50 50 VAL HA H 1 3.893 0.01 . 1 . . . . . . . . 5701 1 502 . 1 1 50 50 VAL CB C 13 32.974 0.1 . 1 . . . . . . . . 5701 1 503 . 1 1 50 50 VAL HB H 1 2.681 0.01 . 1 . . . . . . . . 5701 1 504 . 1 1 50 50 VAL CG2 C 13 22.992 0.1 . 1 . . . . . . . . 5701 1 505 . 1 1 50 50 VAL HG21 H 1 1.268 0.01 . 2 . . . . . . . . 5701 1 506 . 1 1 50 50 VAL HG22 H 1 1.268 0.01 . 2 . . . . . . . . 5701 1 507 . 1 1 50 50 VAL HG23 H 1 1.268 0.01 . 2 . . . . . . . . 5701 1 508 . 1 1 50 50 VAL CG1 C 13 22.992 0.1 . 1 . . . . . . . . 5701 1 509 . 1 1 50 50 VAL HG11 H 1 1.040 0.01 . 2 . . . . . . . . 5701 1 510 . 1 1 50 50 VAL HG12 H 1 1.040 0.01 . 2 . . . . . . . . 5701 1 511 . 1 1 50 50 VAL HG13 H 1 1.040 0.01 . 2 . . . . . . . . 5701 1 512 . 1 1 50 50 VAL C C 13 180.605 0.1 . 1 . . . . . . . . 5701 1 513 . 1 1 51 51 TYR N N 15 121.918 0.1 . 1 . . . . . . . . 5701 1 514 . 1 1 51 51 TYR H H 1 8.939 0.01 . 1 . . . . . . . . 5701 1 515 . 1 1 51 51 TYR CA C 13 63.180 0.1 . 1 . . . . . . . . 5701 1 516 . 1 1 51 51 TYR HA H 1 3.891 0.01 . 1 . . . . . . . . 5701 1 517 . 1 1 51 51 TYR CB C 13 38.704 0.1 . 1 . . . . . . . . 5701 1 518 . 1 1 51 51 TYR HB3 H 1 3.214 0.01 . 2 . . . . . . . . 5701 1 519 . 1 1 51 51 TYR HB2 H 1 3.634 0.01 . 2 . . . . . . . . 5701 1 520 . 1 1 51 51 TYR CD1 C 13 135.649 0.1 . 3 . . . . . . . . 5701 1 521 . 1 1 51 51 TYR HD1 H 1 7.078 0.01 . 3 . . . . . . . . 5701 1 522 . 1 1 51 51 TYR CE1 C 13 118.621 0.1 . 3 . . . . . . . . 5701 1 523 . 1 1 51 51 TYR HE1 H 1 6.723 0.01 . 1 . . . . . . . . 5701 1 524 . 1 1 51 51 TYR HE2 H 1 6.723 0.01 . 1 . . . . . . . . 5701 1 525 . 1 1 51 51 TYR C C 13 176.552 0.1 . 1 . . . . . . . . 5701 1 526 . 1 1 52 52 SER N N 15 116.685 0.1 . 1 . . . . . . . . 5701 1 527 . 1 1 52 52 SER H H 1 8.777 0.01 . 1 . . . . . . . . 5701 1 528 . 1 1 52 52 SER CA C 13 63.618 0.1 . 1 . . . . . . . . 5701 1 529 . 1 1 52 52 SER HA H 1 3.894 0.01 . 1 . . . . . . . . 5701 1 530 . 1 1 52 52 SER CB C 13 63.504 0.1 . 1 . . . . . . . . 5701 1 531 . 1 1 52 52 SER HB3 H 1 4.160 0.01 . 2 . . . . . . . . 5701 1 532 . 1 1 52 52 SER HG H 1 5.113 0.01 . 1 . . . . . . . . 5701 1 533 . 1 1 52 52 SER C C 13 177.197 0.1 . 1 . . . . . . . . 5701 1 534 . 1 1 53 53 ASN N N 15 118.734 0.1 . 1 . . . . . . . . 5701 1 535 . 1 1 53 53 ASN H H 1 8.581 0.01 . 1 . . . . . . . . 5701 1 536 . 1 1 53 53 ASN CA C 13 57.177 0.1 . 1 . . . . . . . . 5701 1 537 . 1 1 53 53 ASN HA H 1 4.538 0.01 . 1 . . . . . . . . 5701 1 538 . 1 1 53 53 ASN CB C 13 39.685 0.1 . 1 . . . . . . . . 5701 1 539 . 1 1 53 53 ASN HB3 H 1 2.967 0.01 . 2 . . . . . . . . 5701 1 540 . 1 1 53 53 ASN HB2 H 1 2.836 0.01 . 2 . . . . . . . . 5701 1 541 . 1 1 53 53 ASN ND2 N 15 113.659 0.1 . 1 . . . . . . . . 5701 1 542 . 1 1 53 53 ASN HD21 H 1 7.064 0.01 . 2 . . . . . . . . 5701 1 543 . 1 1 53 53 ASN HD22 H 1 7.661 0.01 . 2 . . . . . . . . 5701 1 544 . 1 1 53 53 ASN C C 13 178.652 0.1 . 1 . . . . . . . . 5701 1 545 . 1 1 54 54 ASN N N 15 116.474 0.1 . 1 . . . . . . . . 5701 1 546 . 1 1 54 54 ASN H H 1 7.745 0.01 . 1 . . . . . . . . 5701 1 547 . 1 1 54 54 ASN CA C 13 57.232 0.1 . 1 . . . . . . . . 5701 1 548 . 1 1 54 54 ASN HA H 1 4.502 0.01 . 1 . . . . . . . . 5701 1 549 . 1 1 54 54 ASN CB C 13 41.451 0.1 . 1 . . . . . . . . 5701 1 550 . 1 1 54 54 ASN HB3 H 1 2.380 0.01 . 2 . . . . . . . . 5701 1 551 . 1 1 54 54 ASN HB2 H 1 2.663 0.01 . 2 . . . . . . . . 5701 1 552 . 1 1 54 54 ASN C C 13 177.522 0.1 . 1 . . . . . . . . 5701 1 553 . 1 1 55 55 LYS N N 15 122.784 0.1 . 1 . . . . . . . . 5701 1 554 . 1 1 55 55 LYS H H 1 8.990 0.01 . 1 . . . . . . . . 5701 1 555 . 1 1 55 55 LYS CA C 13 61.944 0.1 . 1 . . . . . . . . 5701 1 556 . 1 1 55 55 LYS HA H 1 3.715 0.01 . 1 . . . . . . . . 5701 1 557 . 1 1 55 55 LYS CB C 13 32.592 0.1 . 1 . . . . . . . . 5701 1 558 . 1 1 55 55 LYS HB3 H 1 1.708 0.01 . 2 . . . . . . . . 5701 1 559 . 1 1 55 55 LYS HB2 H 1 1.143 0.01 . 2 . . . . . . . . 5701 1 560 . 1 1 55 55 LYS HG3 H 1 1.277 0.01 . 1 . . . . . . . . 5701 1 561 . 1 1 55 55 LYS HD3 H 1 1.753 0.01 . 1 . . . . . . . . 5701 1 562 . 1 1 55 55 LYS CG C 13 25.276 0.1 . 1 . . . . . . . . 5701 1 563 . 1 1 55 55 LYS CD C 13 30.380 0.1 . 1 . . . . . . . . 5701 1 564 . 1 1 55 55 LYS CE C 13 42.899 0.1 . 1 . . . . . . . . 5701 1 565 . 1 1 55 55 LYS C C 13 178.850 0.1 . 1 . . . . . . . . 5701 1 566 . 1 1 56 56 ASP N N 15 119.198 0.1 . 1 . . . . . . . . 5701 1 567 . 1 1 56 56 ASP H H 1 8.038 0.01 . 1 . . . . . . . . 5701 1 568 . 1 1 56 56 ASP CA C 13 58.826 0.1 . 1 . . . . . . . . 5701 1 569 . 1 1 56 56 ASP HA H 1 4.379 0.01 . 1 . . . . . . . . 5701 1 570 . 1 1 56 56 ASP CB C 13 41.506 0.1 . 1 . . . . . . . . 5701 1 571 . 1 1 56 56 ASP HB3 H 1 2.718 0.01 . 2 . . . . . . . . 5701 1 572 . 1 1 56 56 ASP HB2 H 1 2.834 0.01 . 2 . . . . . . . . 5701 1 573 . 1 1 56 56 ASP C C 13 179.449 0.1 . 1 . . . . . . . . 5701 1 574 . 1 1 57 57 GLN N N 15 118.291 0.1 . 1 . . . . . . . . 5701 1 575 . 1 1 57 57 GLN H H 1 7.768 0.01 . 1 . . . . . . . . 5701 1 576 . 1 1 57 57 GLN CA C 13 59.858 0.1 . 1 . . . . . . . . 5701 1 577 . 1 1 57 57 GLN HA H 1 4.076 0.01 . 1 . . . . . . . . 5701 1 578 . 1 1 57 57 GLN CB C 13 29.511 0.1 . 1 . . . . . . . . 5701 1 579 . 1 1 57 57 GLN HB3 H 1 3.048 0.01 . 2 . . . . . . . . 5701 1 580 . 1 1 57 57 GLN HB2 H 1 2.175 0.01 . 2 . . . . . . . . 5701 1 581 . 1 1 57 57 GLN CG C 13 34.521 0.1 . 1 . . . . . . . . 5701 1 582 . 1 1 57 57 GLN HG2 H 1 2.471 0.01 . 2 . . . . . . . . 5701 1 583 . 1 1 57 57 GLN C C 13 179.776 0.1 . 1 . . . . . . . . 5701 1 584 . 1 1 58 58 CYS N N 15 117.124 0.1 . 1 . . . . . . . . 5701 1 585 . 1 1 58 58 CYS H H 1 8.597 0.01 . 1 . . . . . . . . 5701 1 586 . 1 1 58 58 CYS CA C 13 64.554 0.1 . 1 . . . . . . . . 5701 1 587 . 1 1 58 58 CYS HA H 1 4.028 0.01 . 1 . . . . . . . . 5701 1 588 . 1 1 58 58 CYS CB C 13 29.560 0.1 . 1 . . . . . . . . 5701 1 589 . 1 1 58 58 CYS HB3 H 1 2.144 0.01 . 2 . . . . . . . . 5701 1 590 . 1 1 58 58 CYS HB2 H 1 2.998 0.01 . 2 . . . . . . . . 5701 1 591 . 1 1 58 58 CYS C C 13 177.914 0.1 . 1 . . . . . . . . 5701 1 592 . 1 1 59 59 CYS N N 15 116.861 0.1 . 1 . . . . . . . . 5701 1 593 . 1 1 59 59 CYS H H 1 8.595 0.01 . 1 . . . . . . . . 5701 1 594 . 1 1 59 59 CYS CA C 13 66.595 0.1 . 1 . . . . . . . . 5701 1 595 . 1 1 59 59 CYS HA H 1 4.013 0.01 . 1 . . . . . . . . 5701 1 596 . 1 1 59 59 CYS CB C 13 27.759 0.1 . 1 . . . . . . . . 5701 1 597 . 1 1 59 59 CYS HB3 H 1 2.824 0.01 . 2 . . . . . . . . 5701 1 598 . 1 1 59 59 CYS HB2 H 1 3.311 0.01 . 2 . . . . . . . . 5701 1 599 . 1 1 59 59 CYS C C 13 176.668 0.1 . 1 . . . . . . . . 5701 1 600 . 1 1 60 60 LYS N N 15 118.150 0.1 . 1 . . . . . . . . 5701 1 601 . 1 1 60 60 LYS H H 1 7.471 0.01 . 1 . . . . . . . . 5701 1 602 . 1 1 60 60 LYS CA C 13 61.051 0.1 . 1 . . . . . . . . 5701 1 603 . 1 1 60 60 LYS HA H 1 3.909 0.01 . 1 . . . . . . . . 5701 1 604 . 1 1 60 60 LYS CB C 13 33.134 0.1 . 1 . . . . . . . . 5701 1 605 . 1 1 60 60 LYS HB2 H 1 1.881 0.01 . 2 . . . . . . . . 5701 1 606 . 1 1 60 60 LYS CG C 13 26.276 0.1 . 1 . . . . . . . . 5701 1 607 . 1 1 60 60 LYS HG2 H 1 1.361 0.01 . 2 . . . . . . . . 5701 1 608 . 1 1 60 60 LYS CD C 13 30.276 0.1 . 1 . . . . . . . . 5701 1 609 . 1 1 60 60 LYS HD2 H 1 1.592 0.01 . 2 . . . . . . . . 5701 1 610 . 1 1 60 60 LYS CE C 13 42.899 0.1 . 1 . . . . . . . . 5701 1 611 . 1 1 60 60 LYS HE2 H 1 2.939 0.01 . 2 . . . . . . . . 5701 1 612 . 1 1 60 60 LYS C C 13 180.112 0.1 . 1 . . . . . . . . 5701 1 613 . 1 1 61 61 LEU N N 15 120.391 0.1 . 1 . . . . . . . . 5701 1 614 . 1 1 61 61 LEU H H 1 7.255 0.01 . 1 . . . . . . . . 5701 1 615 . 1 1 61 61 LEU CA C 13 58.298 0.1 . 1 . . . . . . . . 5701 1 616 . 1 1 61 61 LEU HA H 1 4.076 0.01 . 1 . . . . . . . . 5701 1 617 . 1 1 61 61 LEU CB C 13 43.046 0.1 . 1 . . . . . . . . 5701 1 618 . 1 1 61 61 LEU HB3 H 1 1.549 0.01 . 2 . . . . . . . . 5701 1 619 . 1 1 61 61 LEU HB2 H 1 1.834 0.01 . 2 . . . . . . . . 5701 1 620 . 1 1 61 61 LEU CG C 13 27.800 0.1 . 1 . . . . . . . . 5701 1 621 . 1 1 61 61 LEU HG H 1 1.763 0.01 . 1 . . . . . . . . 5701 1 622 . 1 1 61 61 LEU CD1 C 13 25.314 0.1 . 1 . . . . . . . . 5701 1 623 . 1 1 61 61 LEU HD11 H 1 0.796 0.01 . 2 . . . . . . . . 5701 1 624 . 1 1 61 61 LEU HD12 H 1 0.796 0.01 . 2 . . . . . . . . 5701 1 625 . 1 1 61 61 LEU HD13 H 1 0.796 0.01 . 2 . . . . . . . . 5701 1 626 . 1 1 61 61 LEU CD2 C 13 24.456 0.1 . 1 . . . . . . . . 5701 1 627 . 1 1 61 61 LEU HD21 H 1 0.858 0.01 . 2 . . . . . . . . 5701 1 628 . 1 1 61 61 LEU HD22 H 1 0.858 0.01 . 2 . . . . . . . . 5701 1 629 . 1 1 61 61 LEU HD23 H 1 0.858 0.01 . 2 . . . . . . . . 5701 1 630 . 1 1 61 61 LEU C C 13 180.483 0.1 . 1 . . . . . . . . 5701 1 631 . 1 1 62 62 LEU N N 15 121.681 0.1 . 1 . . . . . . . . 5701 1 632 . 1 1 62 62 LEU H H 1 8.284 0.01 . 1 . . . . . . . . 5701 1 633 . 1 1 62 62 LEU CA C 13 59.687 0.1 . 1 . . . . . . . . 5701 1 634 . 1 1 62 62 LEU HA H 1 3.774 0.01 . 1 . . . . . . . . 5701 1 635 . 1 1 62 62 LEU CB C 13 41.856 0.1 . 1 . . . . . . . . 5701 1 636 . 1 1 62 62 LEU HB3 H 1 1.371 0.01 . 2 . . . . . . . . 5701 1 637 . 1 1 62 62 LEU HB2 H 1 1.623 0.01 . 2 . . . . . . . . 5701 1 638 . 1 1 62 62 LEU CG C 13 28.229 0.1 . 1 . . . . . . . . 5701 1 639 . 1 1 62 62 LEU CD1 C 13 24.305 0.1 . 1 . . . . . . . . 5701 1 640 . 1 1 62 62 LEU HD11 H 1 0.327 0.01 . 2 . . . . . . . . 5701 1 641 . 1 1 62 62 LEU HD12 H 1 0.327 0.01 . 2 . . . . . . . . 5701 1 642 . 1 1 62 62 LEU HD13 H 1 0.327 0.01 . 2 . . . . . . . . 5701 1 643 . 1 1 62 62 LEU CD2 C 13 24.504 0.1 . 1 . . . . . . . . 5701 1 644 . 1 1 62 62 LEU HD21 H 1 0.585 0.01 . 2 . . . . . . . . 5701 1 645 . 1 1 62 62 LEU HD22 H 1 0.585 0.01 . 2 . . . . . . . . 5701 1 646 . 1 1 62 62 LEU HD23 H 1 0.585 0.01 . 2 . . . . . . . . 5701 1 647 . 1 1 62 62 LEU C C 13 179.953 0.1 . 1 . . . . . . . . 5701 1 648 . 1 1 63 63 ILE N N 15 120.214 0.1 . 1 . . . . . . . . 5701 1 649 . 1 1 63 63 ILE H H 1 8.585 0.01 . 1 . . . . . . . . 5701 1 650 . 1 1 63 63 ILE CA C 13 66.024 0.1 . 1 . . . . . . . . 5701 1 651 . 1 1 63 63 ILE HA H 1 3.813 0.01 . 1 . . . . . . . . 5701 1 652 . 1 1 63 63 ILE CB C 13 38.812 0.1 . 1 . . . . . . . . 5701 1 653 . 1 1 63 63 ILE HB H 1 1.883 0.01 . 1 . . . . . . . . 5701 1 654 . 1 1 63 63 ILE CG1 C 13 30.722 0.1 . 2 . . . . . . . . 5701 1 655 . 1 1 63 63 ILE HG12 H 1 1.138 0.01 . 1 . . . . . . . . 5701 1 656 . 1 1 63 63 ILE CD1 C 13 14.156 0.1 . 1 . . . . . . . . 5701 1 657 . 1 1 63 63 ILE HD11 H 1 0.889 0.01 . 1 . . . . . . . . 5701 1 658 . 1 1 63 63 ILE HD12 H 1 0.889 0.01 . 1 . . . . . . . . 5701 1 659 . 1 1 63 63 ILE HD13 H 1 0.889 0.01 . 1 . . . . . . . . 5701 1 660 . 1 1 63 63 ILE CG2 C 13 17.699 0.1 . 1 . . . . . . . . 5701 1 661 . 1 1 63 63 ILE HG21 H 1 1.170 0.01 . 1 . . . . . . . . 5701 1 662 . 1 1 63 63 ILE HG22 H 1 1.170 0.01 . 1 . . . . . . . . 5701 1 663 . 1 1 63 63 ILE HG23 H 1 1.170 0.01 . 1 . . . . . . . . 5701 1 664 . 1 1 63 63 ILE C C 13 181.780 0.1 . 1 . . . . . . . . 5701 1 665 . 1 1 64 64 SER N N 15 117.880 0.1 . 1 . . . . . . . . 5701 1 666 . 1 1 64 64 SER H H 1 7.918 0.01 . 1 . . . . . . . . 5701 1 667 . 1 1 64 64 SER CA C 13 62.509 0.1 . 1 . . . . . . . . 5701 1 668 . 1 1 64 64 SER HA H 1 4.309 0.01 . 1 . . . . . . . . 5701 1 669 . 1 1 64 64 SER CB C 13 63.878 0.1 . 1 . . . . . . . . 5701 1 670 . 1 1 64 64 SER HB3 H 1 4.039 0.01 . 2 . . . . . . . . 5701 1 671 . 1 1 64 64 SER C C 13 175.980 0.1 . 1 . . . . . . . . 5701 1 672 . 1 1 65 65 LYS N N 15 120.300 0.1 . 1 . . . . . . . . 5701 1 673 . 1 1 65 65 LYS H H 1 7.479 0.01 . 1 . . . . . . . . 5701 1 674 . 1 1 65 65 LYS CA C 13 56.418 0.1 . 1 . . . . . . . . 5701 1 675 . 1 1 65 65 LYS HA H 1 4.439 0.01 . 1 . . . . . . . . 5701 1 676 . 1 1 65 65 LYS CB C 13 33.953 0.1 . 1 . . . . . . . . 5701 1 677 . 1 1 65 65 LYS HB3 H 1 1.792 0.01 . 2 . . . . . . . . 5701 1 678 . 1 1 65 65 LYS HB2 H 1 2.108 0.01 . 2 . . . . . . . . 5701 1 679 . 1 1 65 65 LYS CG C 13 25.828 0.1 . 1 . . . . . . . . 5701 1 680 . 1 1 65 65 LYS HG3 H 1 1.541 0.01 . 2 . . . . . . . . 5701 1 681 . 1 1 65 65 LYS CD C 13 29.687 0.1 . 1 . . . . . . . . 5701 1 682 . 1 1 65 65 LYS HD3 H 1 1.643 0.01 . 2 . . . . . . . . 5701 1 683 . 1 1 65 65 LYS CE C 13 43.011 0.1 . 1 . . . . . . . . 5701 1 684 . 1 1 65 65 LYS HE2 H 1 2.950 0.01 . 2 . . . . . . . . 5701 1 685 . 1 1 65 65 LYS C C 13 177.268 0.1 . 1 . . . . . . . . 5701 1 686 . 1 1 66 66 GLY N N 15 109.469 0.1 . 1 . . . . . . . . 5701 1 687 . 1 1 66 66 GLY H H 1 8.017 0.01 . 1 . . . . . . . . 5701 1 688 . 1 1 66 66 GLY CA C 13 46.923 0.1 . 1 . . . . . . . . 5701 1 689 . 1 1 66 66 GLY HA3 H 1 4.097 0.01 . 2 . . . . . . . . 5701 1 690 . 1 1 66 66 GLY HA2 H 1 3.862 0.01 . 2 . . . . . . . . 5701 1 691 . 1 1 66 66 GLY C C 13 175.048 0.1 . 1 . . . . . . . . 5701 1 692 . 1 1 67 67 VAL N N 15 120.942 0.1 . 1 . . . . . . . . 5701 1 693 . 1 1 67 67 VAL H H 1 7.883 0.01 . 1 . . . . . . . . 5701 1 694 . 1 1 67 67 VAL CA C 13 61.680 0.1 . 1 . . . . . . . . 5701 1 695 . 1 1 67 67 VAL HA H 1 4.098 0.01 . 1 . . . . . . . . 5701 1 696 . 1 1 67 67 VAL CB C 13 34.333 0.1 . 1 . . . . . . . . 5701 1 697 . 1 1 67 67 VAL HB H 1 1.901 0.01 . 1 . . . . . . . . 5701 1 698 . 1 1 67 67 VAL CG2 C 13 22.309 0.1 . 1 . . . . . . . . 5701 1 699 . 1 1 67 67 VAL HG21 H 1 1.046 0.01 . 2 . . . . . . . . 5701 1 700 . 1 1 67 67 VAL HG22 H 1 1.046 0.01 . 2 . . . . . . . . 5701 1 701 . 1 1 67 67 VAL HG23 H 1 1.046 0.01 . 2 . . . . . . . . 5701 1 702 . 1 1 67 67 VAL CG1 C 13 22.309 0.1 . 1 . . . . . . . . 5701 1 703 . 1 1 67 67 VAL HG11 H 1 0.908 0.01 . 2 . . . . . . . . 5701 1 704 . 1 1 67 67 VAL HG12 H 1 0.908 0.01 . 2 . . . . . . . . 5701 1 705 . 1 1 67 67 VAL HG13 H 1 0.908 0.01 . 2 . . . . . . . . 5701 1 706 . 1 1 67 67 VAL C C 13 176.358 0.1 . 1 . . . . . . . . 5701 1 707 . 1 1 68 68 SER N N 15 119.731 0.1 . 1 . . . . . . . . 5701 1 708 . 1 1 68 68 SER H H 1 8.428 0.01 . 1 . . . . . . . . 5701 1 709 . 1 1 68 68 SER CA C 13 59.047 0.1 . 1 . . . . . . . . 5701 1 710 . 1 1 68 68 SER HA H 1 4.370 0.01 . 1 . . . . . . . . 5701 1 711 . 1 1 68 68 SER CB C 13 64.370 0.1 . 1 . . . . . . . . 5701 1 712 . 1 1 68 68 SER HB3 H 1 4.043 0.01 . 2 . . . . . . . . 5701 1 713 . 1 1 68 68 SER HB2 H 1 3.835 0.01 . 2 . . . . . . . . 5701 1 714 . 1 1 68 68 SER C C 13 177.455 0.1 . 1 . . . . . . . . 5701 1 715 . 1 1 69 69 ILE N N 15 118.430 0.1 . 1 . . . . . . . . 5701 1 716 . 1 1 69 69 ILE H H 1 8.156 0.01 . 1 . . . . . . . . 5701 1 717 . 1 1 69 69 ILE CA C 13 63.405 0.1 . 1 . . . . . . . . 5701 1 718 . 1 1 69 69 ILE HA H 1 4.319 0.01 . 1 . . . . . . . . 5701 1 719 . 1 1 69 69 ILE CB C 13 39.748 0.1 . 1 . . . . . . . . 5701 1 720 . 1 1 69 69 ILE HB H 1 2.384 0.01 . 1 . . . . . . . . 5701 1 721 . 1 1 69 69 ILE CG1 C 13 26.242 0.1 . 2 . . . . . . . . 5701 1 722 . 1 1 69 69 ILE HG13 H 1 1.386 0.01 . 1 . . . . . . . . 5701 1 723 . 1 1 69 69 ILE HG12 H 1 1.286 0.01 . 1 . . . . . . . . 5701 1 724 . 1 1 69 69 ILE CD1 C 13 15.447 0.1 . 1 . . . . . . . . 5701 1 725 . 1 1 69 69 ILE HD11 H 1 1.028 0.01 . 1 . . . . . . . . 5701 1 726 . 1 1 69 69 ILE HD12 H 1 1.028 0.01 . 1 . . . . . . . . 5701 1 727 . 1 1 69 69 ILE HD13 H 1 1.028 0.01 . 1 . . . . . . . . 5701 1 728 . 1 1 69 69 ILE CG2 C 13 20.169 0.1 . 1 . . . . . . . . 5701 1 729 . 1 1 69 69 ILE HG21 H 1 1.115 0.01 . 1 . . . . . . . . 5701 1 730 . 1 1 69 69 ILE HG22 H 1 1.115 0.01 . 1 . . . . . . . . 5701 1 731 . 1 1 69 69 ILE HG23 H 1 1.115 0.01 . 1 . . . . . . . . 5701 1 732 . 1 1 69 69 ILE C C 13 177.333 0.1 . 1 . . . . . . . . 5701 1 733 . 1 1 70 70 THR N N 15 118.997 0.1 . 1 . . . . . . . . 5701 1 734 . 1 1 70 70 THR H H 1 7.964 0.01 . 1 . . . . . . . . 5701 1 735 . 1 1 70 70 THR CA C 13 69.928 0.1 . 1 . . . . . . . . 5701 1 736 . 1 1 70 70 THR HA H 1 3.905 0.01 . 1 . . . . . . . . 5701 1 737 . 1 1 70 70 THR CB C 13 67.353 0.1 . 1 . . . . . . . . 5701 1 738 . 1 1 70 70 THR HB H 1 2.876 0.01 . 1 . . . . . . . . 5701 1 739 . 1 1 70 70 THR C C 13 173.800 0.1 . 1 . . . . . . . . 5701 1 740 . 1 1 71 71 PRO CA C 13 67.320 0.1 . 1 . . . . . . . . 5701 1 741 . 1 1 71 71 PRO HA H 1 4.246 0.01 . 1 . . . . . . . . 5701 1 742 . 1 1 71 71 PRO CB C 13 31.501 0.1 . 1 . . . . . . . . 5701 1 743 . 1 1 71 71 PRO HB3 H 1 1.954 0.01 . 2 . . . . . . . . 5701 1 744 . 1 1 71 71 PRO HB2 H 1 2.403 0.01 . 2 . . . . . . . . 5701 1 745 . 1 1 71 71 PRO CG C 13 29.252 0.1 . 1 . . . . . . . . 5701 1 746 . 1 1 71 71 PRO HG3 H 1 2.108 0.01 . 2 . . . . . . . . 5701 1 747 . 1 1 71 71 PRO CD C 13 50.630 0.1 . 1 . . . . . . . . 5701 1 748 . 1 1 71 71 PRO HD2 H 1 3.638 0.01 . 2 . . . . . . . . 5701 1 749 . 1 1 71 71 PRO C C 13 179.631 0.1 . 1 . . . . . . . . 5701 1 750 . 1 1 72 72 PHE N N 15 118.756 0.1 . 1 . . . . . . . . 5701 1 751 . 1 1 72 72 PHE H H 1 6.971 0.01 . 1 . . . . . . . . 5701 1 752 . 1 1 72 72 PHE CA C 13 61.701 0.1 . 1 . . . . . . . . 5701 1 753 . 1 1 72 72 PHE HA H 1 3.787 0.01 . 1 . . . . . . . . 5701 1 754 . 1 1 72 72 PHE CB C 13 39.568 0.1 . 1 . . . . . . . . 5701 1 755 . 1 1 72 72 PHE HB3 H 1 2.337 0.01 . 2 . . . . . . . . 5701 1 756 . 1 1 72 72 PHE HB2 H 1 2.732 0.01 . 2 . . . . . . . . 5701 1 757 . 1 1 72 72 PHE HD1 H 1 6.884 0.01 . 3 . . . . . . . . 5701 1 758 . 1 1 72 72 PHE HE1 H 1 7.598 0.01 . 3 . . . . . . . . 5701 1 759 . 1 1 72 72 PHE HZ H 1 7.179 0.01 . 1 . . . . . . . . 5701 1 760 . 1 1 72 72 PHE C C 13 176.913 0.1 . 1 . . . . . . . . 5701 1 761 . 1 1 73 73 LEU N N 15 119.034 0.1 . 1 . . . . . . . . 5701 1 762 . 1 1 73 73 LEU H H 1 8.385 0.01 . 1 . . . . . . . . 5701 1 763 . 1 1 73 73 LEU CA C 13 58.134 0.1 . 1 . . . . . . . . 5701 1 764 . 1 1 73 73 LEU HA H 1 3.719 0.01 . 1 . . . . . . . . 5701 1 765 . 1 1 73 73 LEU CB C 13 42.359 0.1 . 1 . . . . . . . . 5701 1 766 . 1 1 73 73 LEU HB3 H 1 2.730 0.01 . 2 . . . . . . . . 5701 1 767 . 1 1 73 73 LEU HB2 H 1 2.835 0.01 . 2 . . . . . . . . 5701 1 768 . 1 1 73 73 LEU CG C 13 26.468 0.1 . 1 . . . . . . . . 5701 1 769 . 1 1 73 73 LEU HG H 1 1.653 0.01 . 1 . . . . . . . . 5701 1 770 . 1 1 73 73 LEU CD1 C 13 23.958 0.1 . 1 . . . . . . . . 5701 1 771 . 1 1 73 73 LEU HD11 H 1 0.962 0.01 . 2 . . . . . . . . 5701 1 772 . 1 1 73 73 LEU HD12 H 1 0.962 0.01 . 2 . . . . . . . . 5701 1 773 . 1 1 73 73 LEU HD13 H 1 0.962 0.01 . 2 . . . . . . . . 5701 1 774 . 1 1 73 73 LEU HD21 H 1 1.469 0.01 . 2 . . . . . . . . 5701 1 775 . 1 1 73 73 LEU HD22 H 1 1.469 0.01 . 2 . . . . . . . . 5701 1 776 . 1 1 73 73 LEU HD23 H 1 1.469 0.01 . 2 . . . . . . . . 5701 1 777 . 1 1 73 73 LEU C C 13 181.396 0.1 . 1 . . . . . . . . 5701 1 778 . 1 1 74 74 LYS N N 15 122.013 0.1 . 1 . . . . . . . . 5701 1 779 . 1 1 74 74 LYS H H 1 8.509 0.01 . 1 . . . . . . . . 5701 1 780 . 1 1 74 74 LYS CA C 13 60.778 0.1 . 1 . . . . . . . . 5701 1 781 . 1 1 74 74 LYS HA H 1 4.175 0.01 . 1 . . . . . . . . 5701 1 782 . 1 1 74 74 LYS CB C 13 33.291 0.1 . 1 . . . . . . . . 5701 1 783 . 1 1 74 74 LYS HB3 H 1 1.908 0.01 . 2 . . . . . . . . 5701 1 784 . 1 1 74 74 LYS HB2 H 1 2.510 0.01 . 2 . . . . . . . . 5701 1 785 . 1 1 74 74 LYS CG C 13 26.228 0.1 . 1 . . . . . . . . 5701 1 786 . 1 1 74 74 LYS HG3 H 1 1.662 0.01 . 2 . . . . . . . . 5701 1 787 . 1 1 74 74 LYS HG2 H 1 1.683 0.01 . 2 . . . . . . . . 5701 1 788 . 1 1 74 74 LYS CD C 13 30.489 0.1 . 1 . . . . . . . . 5701 1 789 . 1 1 74 74 LYS HD3 H 1 1.433 0.01 . 2 . . . . . . . . 5701 1 790 . 1 1 74 74 LYS HD2 H 1 1.584 0.01 . 2 . . . . . . . . 5701 1 791 . 1 1 74 74 LYS CE C 13 43.068 0.1 . 1 . . . . . . . . 5701 1 792 . 1 1 74 74 LYS HE3 H 1 3.113 0.01 . 2 . . . . . . . . 5701 1 793 . 1 1 74 74 LYS HE2 H 1 3.299 0.01 . 2 . . . . . . . . 5701 1 794 . 1 1 74 74 LYS C C 13 180.195 0.1 . 1 . . . . . . . . 5701 1 795 . 1 1 75 75 GLU N N 15 121.460 0.1 . 1 . . . . . . . . 5701 1 796 . 1 1 75 75 GLU H H 1 8.086 0.01 . 1 . . . . . . . . 5701 1 797 . 1 1 75 75 GLU CA C 13 61.956 0.1 . 1 . . . . . . . . 5701 1 798 . 1 1 75 75 GLU HA H 1 4.256 0.01 . 1 . . . . . . . . 5701 1 799 . 1 1 75 75 GLU CB C 13 31.227 0.1 . 1 . . . . . . . . 5701 1 800 . 1 1 75 75 GLU HB3 H 1 2.187 0.01 . 2 . . . . . . . . 5701 1 801 . 1 1 75 75 GLU HB2 H 1 2.305 0.01 . 2 . . . . . . . . 5701 1 802 . 1 1 75 75 GLU CG C 13 38.534 0.1 . 1 . . . . . . . . 5701 1 803 . 1 1 75 75 GLU HG3 H 1 2.675 0.01 . 1 . . . . . . . . 5701 1 804 . 1 1 75 75 GLU HG2 H 1 2.675 0.01 . 1 . . . . . . . . 5701 1 805 . 1 1 75 75 GLU C C 13 181.654 0.1 . 1 . . . . . . . . 5701 1 806 . 1 1 76 76 ILE N N 15 115.847 0.1 . 1 . . . . . . . . 5701 1 807 . 1 1 76 76 ILE H H 1 8.891 0.01 . 1 . . . . . . . . 5701 1 808 . 1 1 76 76 ILE CA C 13 66.207 0.1 . 1 . . . . . . . . 5701 1 809 . 1 1 76 76 ILE HA H 1 4.221 0.01 . 1 . . . . . . . . 5701 1 810 . 1 1 76 76 ILE CB C 13 38.671 0.1 . 1 . . . . . . . . 5701 1 811 . 1 1 76 76 ILE HB H 1 1.674 0.01 . 1 . . . . . . . . 5701 1 812 . 1 1 76 76 ILE CG1 C 13 26.601 0.1 . 2 . . . . . . . . 5701 1 813 . 1 1 76 76 ILE HG13 H 1 1.204 0.01 . 1 . . . . . . . . 5701 1 814 . 1 1 76 76 ILE HG12 H 1 1.149 0.01 . 1 . . . . . . . . 5701 1 815 . 1 1 76 76 ILE CD1 C 13 15.206 0.1 . 1 . . . . . . . . 5701 1 816 . 1 1 76 76 ILE HD11 H 1 0.334 0.01 . 1 . . . . . . . . 5701 1 817 . 1 1 76 76 ILE HD12 H 1 0.334 0.01 . 1 . . . . . . . . 5701 1 818 . 1 1 76 76 ILE HD13 H 1 0.334 0.01 . 1 . . . . . . . . 5701 1 819 . 1 1 76 76 ILE CG2 C 13 21.333 0.1 . 1 . . . . . . . . 5701 1 820 . 1 1 76 76 ILE HG21 H 1 0.632 0.01 . 1 . . . . . . . . 5701 1 821 . 1 1 76 76 ILE HG22 H 1 0.632 0.01 . 1 . . . . . . . . 5701 1 822 . 1 1 76 76 ILE HG23 H 1 0.632 0.01 . 1 . . . . . . . . 5701 1 823 . 1 1 76 76 ILE C C 13 178.857 0.1 . 1 . . . . . . . . 5701 1 824 . 1 1 77 77 GLY N N 15 114.228 0.1 . 1 . . . . . . . . 5701 1 825 . 1 1 77 77 GLY H H 1 8.151 0.01 . 1 . . . . . . . . 5701 1 826 . 1 1 77 77 GLY CA C 13 49.646 0.1 . 1 . . . . . . . . 5701 1 827 . 1 1 77 77 GLY HA3 H 1 4.405 0.01 . 2 . . . . . . . . 5701 1 828 . 1 1 77 77 GLY HA2 H 1 3.983 0.01 . 2 . . . . . . . . 5701 1 829 . 1 1 77 77 GLY C C 13 176.438 0.1 . 1 . . . . . . . . 5701 1 830 . 1 1 78 78 GLU N N 15 123.440 0.1 . 1 . . . . . . . . 5701 1 831 . 1 1 78 78 GLU H H 1 7.891 0.01 . 1 . . . . . . . . 5701 1 832 . 1 1 78 78 GLU CA C 13 60.143 0.1 . 1 . . . . . . . . 5701 1 833 . 1 1 78 78 GLU HA H 1 4.011 0.01 . 1 . . . . . . . . 5701 1 834 . 1 1 78 78 GLU CB C 13 29.887 0.1 . 1 . . . . . . . . 5701 1 835 . 1 1 78 78 GLU HB3 H 1 2.051 0.01 . 2 . . . . . . . . 5701 1 836 . 1 1 78 78 GLU HB2 H 1 2.248 0.01 . 2 . . . . . . . . 5701 1 837 . 1 1 78 78 GLU CG C 13 36.981 0.1 . 1 . . . . . . . . 5701 1 838 . 1 1 78 78 GLU HG3 H 1 2.274 0.01 . 2 . . . . . . . . 5701 1 839 . 1 1 78 78 GLU HG2 H 1 2.443 0.01 . 2 . . . . . . . . 5701 1 840 . 1 1 78 78 GLU C C 13 179.590 0.1 . 1 . . . . . . . . 5701 1 841 . 1 1 79 79 ALA N N 15 121.822 0.1 . 1 . . . . . . . . 5701 1 842 . 1 1 79 79 ALA H H 1 7.732 0.01 . 1 . . . . . . . . 5701 1 843 . 1 1 79 79 ALA CA C 13 56.092 0.1 . 1 . . . . . . . . 5701 1 844 . 1 1 79 79 ALA HA H 1 4.247 0.01 . 1 . . . . . . . . 5701 1 845 . 1 1 79 79 ALA CB C 13 18.106 0.1 . 1 . . . . . . . . 5701 1 846 . 1 1 79 79 ALA HB1 H 1 1.547 0.01 . 1 . . . . . . . . 5701 1 847 . 1 1 79 79 ALA HB2 H 1 1.547 0.01 . 1 . . . . . . . . 5701 1 848 . 1 1 79 79 ALA HB3 H 1 1.547 0.01 . 1 . . . . . . . . 5701 1 849 . 1 1 79 79 ALA C C 13 181.594 0.1 . 1 . . . . . . . . 5701 1 850 . 1 1 80 80 ALA N N 15 122.519 0.1 . 1 . . . . . . . . 5701 1 851 . 1 1 80 80 ALA H H 1 8.537 0.01 . 1 . . . . . . . . 5701 1 852 . 1 1 80 80 ALA CA C 13 56.042 0.1 . 1 . . . . . . . . 5701 1 853 . 1 1 80 80 ALA HA H 1 4.242 0.01 . 1 . . . . . . . . 5701 1 854 . 1 1 80 80 ALA CB C 13 19.463 0.1 . 1 . . . . . . . . 5701 1 855 . 1 1 80 80 ALA HB1 H 1 1.584 0.01 . 1 . . . . . . . . 5701 1 856 . 1 1 80 80 ALA HB2 H 1 1.584 0.01 . 1 . . . . . . . . 5701 1 857 . 1 1 80 80 ALA HB3 H 1 1.584 0.01 . 1 . . . . . . . . 5701 1 858 . 1 1 80 80 ALA C C 13 178.757 0.1 . 1 . . . . . . . . 5701 1 859 . 1 1 81 81 GLN N N 15 120.795 0.1 . 1 . . . . . . . . 5701 1 860 . 1 1 81 81 GLN H H 1 8.266 0.01 . 1 . . . . . . . . 5701 1 861 . 1 1 81 81 GLN CA C 13 59.497 0.1 . 1 . . . . . . . . 5701 1 862 . 1 1 81 81 GLN HA H 1 3.320 0.01 . 1 . . . . . . . . 5701 1 863 . 1 1 81 81 GLN CB C 13 28.403 0.1 . 1 . . . . . . . . 5701 1 864 . 1 1 81 81 GLN HB3 H 1 0.605 0.01 . 2 . . . . . . . . 5701 1 865 . 1 1 81 81 GLN HB2 H 1 1.625 0.01 . 2 . . . . . . . . 5701 1 866 . 1 1 81 81 GLN CG C 13 34.418 0.1 . 1 . . . . . . . . 5701 1 867 . 1 1 81 81 GLN HG3 H 1 1.645 0.01 . 2 . . . . . . . . 5701 1 868 . 1 1 81 81 GLN HG2 H 1 1.508 0.01 . 2 . . . . . . . . 5701 1 869 . 1 1 81 81 GLN NE2 N 15 110.480 0.1 . 1 . . . . . . . . 5701 1 870 . 1 1 81 81 GLN HE21 H 1 6.486 0.01 . 2 . . . . . . . . 5701 1 871 . 1 1 81 81 GLN HE22 H 1 7.120 0.01 . 2 . . . . . . . . 5701 1 872 . 1 1 81 81 GLN C C 13 181.609 0.1 . 1 . . . . . . . . 5701 1 873 . 1 1 82 82 ASN N N 15 119.978 0.1 . 1 . . . . . . . . 5701 1 874 . 1 1 82 82 ASN H H 1 8.532 0.01 . 1 . . . . . . . . 5701 1 875 . 1 1 82 82 ASN CA C 13 56.479 0.1 . 1 . . . . . . . . 5701 1 876 . 1 1 82 82 ASN HA H 1 4.357 0.01 . 1 . . . . . . . . 5701 1 877 . 1 1 82 82 ASN CB C 13 39.016 0.1 . 1 . . . . . . . . 5701 1 878 . 1 1 82 82 ASN HB3 H 1 2.726 0.01 . 2 . . . . . . . . 5701 1 879 . 1 1 82 82 ASN HB2 H 1 2.853 0.01 . 2 . . . . . . . . 5701 1 880 . 1 1 82 82 ASN ND2 N 15 112.704 0.1 . 1 . . . . . . . . 5701 1 881 . 1 1 82 82 ASN HD21 H 1 7.025 0.01 . 2 . . . . . . . . 5701 1 882 . 1 1 82 82 ASN HD22 H 1 7.569 0.01 . 2 . . . . . . . . 5701 1 883 . 1 1 82 82 ASN C C 13 177.092 0.1 . 1 . . . . . . . . 5701 1 884 . 1 1 83 83 ALA N N 15 121.272 0.1 . 1 . . . . . . . . 5701 1 885 . 1 1 83 83 ALA H H 1 7.607 0.01 . 1 . . . . . . . . 5701 1 886 . 1 1 83 83 ALA CA C 13 53.330 0.1 . 1 . . . . . . . . 5701 1 887 . 1 1 83 83 ALA HA H 1 4.239 0.01 . 1 . . . . . . . . 5701 1 888 . 1 1 83 83 ALA CB C 13 20.090 0.1 . 1 . . . . . . . . 5701 1 889 . 1 1 83 83 ALA HB1 H 1 1.214 0.01 . 1 . . . . . . . . 5701 1 890 . 1 1 83 83 ALA HB2 H 1 1.214 0.01 . 1 . . . . . . . . 5701 1 891 . 1 1 83 83 ALA HB3 H 1 1.214 0.01 . 1 . . . . . . . . 5701 1 892 . 1 1 83 83 ALA C C 13 176.513 0.1 . 1 . . . . . . . . 5701 1 893 . 1 1 84 84 GLY N N 15 101.939 0.1 . 1 . . . . . . . . 5701 1 894 . 1 1 84 84 GLY H H 1 7.391 0.01 . 1 . . . . . . . . 5701 1 895 . 1 1 84 84 GLY CA C 13 45.508 0.1 . 1 . . . . . . . . 5701 1 896 . 1 1 84 84 GLY HA3 H 1 4.224 0.01 . 2 . . . . . . . . 5701 1 897 . 1 1 84 84 GLY HA2 H 1 3.594 0.01 . 2 . . . . . . . . 5701 1 898 . 1 1 84 84 GLY C C 13 175.749 0.1 . 1 . . . . . . . . 5701 1 899 . 1 1 85 85 LEU N N 15 120.586 0.1 . 1 . . . . . . . . 5701 1 900 . 1 1 85 85 LEU H H 1 7.352 0.01 . 1 . . . . . . . . 5701 1 901 . 1 1 85 85 LEU CA C 13 54.319 0.1 . 1 . . . . . . . . 5701 1 902 . 1 1 85 85 LEU HA H 1 4.342 0.01 . 1 . . . . . . . . 5701 1 903 . 1 1 85 85 LEU CB C 13 41.428 0.1 . 1 . . . . . . . . 5701 1 904 . 1 1 85 85 LEU HB3 H 1 1.490 0.01 . 2 . . . . . . . . 5701 1 905 . 1 1 85 85 LEU HB2 H 1 1.592 0.01 . 2 . . . . . . . . 5701 1 906 . 1 1 85 85 LEU HG H 1 1.197 0.01 . 1 . . . . . . . . 5701 1 907 . 1 1 85 85 LEU CD1 C 13 25.635 0.1 . 1 . . . . . . . . 5701 1 908 . 1 1 85 85 LEU HD11 H 1 0.744 0.01 . 2 . . . . . . . . 5701 1 909 . 1 1 85 85 LEU HD12 H 1 0.744 0.01 . 2 . . . . . . . . 5701 1 910 . 1 1 85 85 LEU HD13 H 1 0.744 0.01 . 2 . . . . . . . . 5701 1 911 . 1 1 85 85 LEU CD2 C 13 25.100 0.1 . 1 . . . . . . . . 5701 1 912 . 1 1 85 85 LEU HD21 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 913 . 1 1 85 85 LEU HD22 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 914 . 1 1 85 85 LEU HD23 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 915 . 1 1 85 85 LEU C C 13 175.235 0.1 . 1 . . . . . . . . 5701 1 916 . 1 1 86 86 PRO CA C 13 62.952 0.1 . 1 . . . . . . . . 5701 1 917 . 1 1 86 86 PRO HA H 1 4.685 0.01 . 1 . . . . . . . . 5701 1 918 . 1 1 86 86 PRO CB C 13 32.954 0.1 . 1 . . . . . . . . 5701 1 919 . 1 1 86 86 PRO HB3 H 1 1.884 0.01 . 2 . . . . . . . . 5701 1 920 . 1 1 86 86 PRO HB2 H 1 2.236 0.01 . 2 . . . . . . . . 5701 1 921 . 1 1 86 86 PRO CG C 13 28.232 0.1 . 1 . . . . . . . . 5701 1 922 . 1 1 86 86 PRO HG3 H 1 2.003 0.01 . 2 . . . . . . . . 5701 1 923 . 1 1 86 86 PRO CD C 13 51.059 0.1 . 1 . . . . . . . . 5701 1 924 . 1 1 86 86 PRO HD3 H 1 3.901 0.01 . 2 . . . . . . . . 5701 1 925 . 1 1 86 86 PRO HD2 H 1 3.602 0.01 . 2 . . . . . . . . 5701 1 926 . 1 1 86 86 PRO C C 13 178.232 0.1 . 1 . . . . . . . . 5701 1 927 . 1 1 87 87 GLY N N 15 109.307 0.1 . 1 . . . . . . . . 5701 1 928 . 1 1 87 87 GLY H H 1 8.367 0.01 . 1 . . . . . . . . 5701 1 929 . 1 1 87 87 GLY CA C 13 47.417 0.1 . 1 . . . . . . . . 5701 1 930 . 1 1 87 87 GLY HA3 H 1 3.744 0.01 . 2 . . . . . . . . 5701 1 931 . 1 1 87 87 GLY HA2 H 1 3.520 0.01 . 2 . . . . . . . . 5701 1 932 . 1 1 87 87 GLY C C 13 171.551 0.1 . 1 . . . . . . . . 5701 1 933 . 1 1 88 88 GLU N N 15 116.773 0.1 . 1 . . . . . . . . 5701 1 934 . 1 1 88 88 GLU H H 1 6.947 0.01 . 1 . . . . . . . . 5701 1 935 . 1 1 88 88 GLU CA C 13 54.759 0.1 . 1 . . . . . . . . 5701 1 936 . 1 1 88 88 GLU HA H 1 4.618 0.01 . 1 . . . . . . . . 5701 1 937 . 1 1 88 88 GLU CB C 13 34.731 0.1 . 1 . . . . . . . . 5701 1 938 . 1 1 88 88 GLU HB3 H 1 1.770 0.01 . 2 . . . . . . . . 5701 1 939 . 1 1 88 88 GLU HB2 H 1 1.859 0.01 . 2 . . . . . . . . 5701 1 940 . 1 1 88 88 GLU CG C 13 36.514 0.1 . 1 . . . . . . . . 5701 1 941 . 1 1 88 88 GLU HG3 H 1 1.961 0.01 . 2 . . . . . . . . 5701 1 942 . 1 1 88 88 GLU HG2 H 1 2.038 0.01 . 2 . . . . . . . . 5701 1 943 . 1 1 88 88 GLU C C 13 174.993 0.1 . 1 . . . . . . . . 5701 1 944 . 1 1 89 89 ILE N N 15 123.854 0.1 . 1 . . . . . . . . 5701 1 945 . 1 1 89 89 ILE H H 1 8.794 0.01 . 1 . . . . . . . . 5701 1 946 . 1 1 89 89 ILE CA C 13 61.627 0.1 . 1 . . . . . . . . 5701 1 947 . 1 1 89 89 ILE HA H 1 4.372 0.01 . 1 . . . . . . . . 5701 1 948 . 1 1 89 89 ILE CB C 13 38.281 0.1 . 1 . . . . . . . . 5701 1 949 . 1 1 89 89 ILE HB H 1 1.752 0.01 . 1 . . . . . . . . 5701 1 950 . 1 1 89 89 ILE CG1 C 13 29.563 0.1 . 2 . . . . . . . . 5701 1 951 . 1 1 89 89 ILE HG13 H 1 1.043 0.01 . 1 . . . . . . . . 5701 1 952 . 1 1 89 89 ILE HG12 H 1 1.654 0.01 . 1 . . . . . . . . 5701 1 953 . 1 1 89 89 ILE CD1 C 13 13.563 0.1 . 1 . . . . . . . . 5701 1 954 . 1 1 89 89 ILE HD11 H 1 0.698 0.01 . 1 . . . . . . . . 5701 1 955 . 1 1 89 89 ILE HD12 H 1 0.698 0.01 . 1 . . . . . . . . 5701 1 956 . 1 1 89 89 ILE HD13 H 1 0.698 0.01 . 1 . . . . . . . . 5701 1 957 . 1 1 89 89 ILE CG2 C 13 18.080 0.1 . 1 . . . . . . . . 5701 1 958 . 1 1 89 89 ILE HG21 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 959 . 1 1 89 89 ILE HG22 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 960 . 1 1 89 89 ILE HG23 H 1 0.915 0.01 . 1 . . . . . . . . 5701 1 961 . 1 1 89 89 ILE C C 13 175.681 0.1 . 1 . . . . . . . . 5701 1 962 . 1 1 90 90 LYS N N 15 128.994 0.1 . 1 . . . . . . . . 5701 1 963 . 1 1 90 90 LYS H H 1 8.439 0.01 . 1 . . . . . . . . 5701 1 964 . 1 1 90 90 LYS CA C 13 55.990 0.1 . 1 . . . . . . . . 5701 1 965 . 1 1 90 90 LYS HA H 1 4.544 0.01 . 1 . . . . . . . . 5701 1 966 . 1 1 90 90 LYS CB C 13 35.657 0.1 . 1 . . . . . . . . 5701 1 967 . 1 1 90 90 LYS HB3 H 1 1.715 0.01 . 2 . . . . . . . . 5701 1 968 . 1 1 90 90 LYS HB2 H 1 1.685 0.01 . 2 . . . . . . . . 5701 1 969 . 1 1 90 90 LYS CG C 13 25.470 0.1 . 1 . . . . . . . . 5701 1 970 . 1 1 90 90 LYS HG3 H 1 1.285 0.01 . 2 . . . . . . . . 5701 1 971 . 1 1 90 90 LYS HG2 H 1 1.315 0.01 . 2 . . . . . . . . 5701 1 972 . 1 1 90 90 LYS HE2 H 1 2.954 0.01 . 2 . . . . . . . . 5701 1 973 . 1 1 90 90 LYS C C 13 176.998 0.1 . 1 . . . . . . . . 5701 1 974 . 1 1 91 91 ASN H H 1 8.182 0.01 . 1 . . . . . . . . 5701 1 975 . 1 1 91 91 ASN CA C 13 55.102 0.1 . 1 . . . . . . . . 5701 1 976 . 1 1 91 91 ASN HA H 1 4.333 0.01 . 1 . . . . . . . . 5701 1 977 . 1 1 91 91 ASN CB C 13 38.399 0.1 . 1 . . . . . . . . 5701 1 978 . 1 1 91 91 ASN HB3 H 1 2.748 0.01 . 2 . . . . . . . . 5701 1 979 . 1 1 91 91 ASN HB2 H 1 3.020 0.01 . 2 . . . . . . . . 5701 1 980 . 1 1 91 91 ASN C C 13 176.072 0.1 . 1 . . . . . . . . 5701 1 981 . 1 1 92 92 GLY N N 15 102.451 0.1 . 1 . . . . . . . . 5701 1 982 . 1 1 92 92 GLY H H 1 8.304 0.01 . 1 . . . . . . . . 5701 1 983 . 1 1 92 92 GLY CA C 13 45.800 0.1 . 1 . . . . . . . . 5701 1 984 . 1 1 92 92 GLY HA3 H 1 4.172 0.01 . 2 . . . . . . . . 5701 1 985 . 1 1 92 92 GLY HA2 H 1 3.514 0.01 . 2 . . . . . . . . 5701 1 986 . 1 1 92 92 GLY C C 13 174.279 0.1 . 1 . . . . . . . . 5701 1 987 . 1 1 93 93 VAL N N 15 120.070 0.1 . 1 . . . . . . . . 5701 1 988 . 1 1 93 93 VAL H H 1 7.711 0.01 . 1 . . . . . . . . 5701 1 989 . 1 1 93 93 VAL CA C 13 61.693 0.1 . 1 . . . . . . . . 5701 1 990 . 1 1 93 93 VAL HA H 1 4.450 0.01 . 1 . . . . . . . . 5701 1 991 . 1 1 93 93 VAL CB C 13 35.910 0.1 . 1 . . . . . . . . 5701 1 992 . 1 1 93 93 VAL HB H 1 2.024 0.01 . 1 . . . . . . . . 5701 1 993 . 1 1 93 93 VAL CG2 C 13 22.127 0.1 . 1 . . . . . . . . 5701 1 994 . 1 1 93 93 VAL HG21 H 1 0.739 0.01 . 2 . . . . . . . . 5701 1 995 . 1 1 93 93 VAL HG22 H 1 0.739 0.01 . 2 . . . . . . . . 5701 1 996 . 1 1 93 93 VAL HG23 H 1 0.739 0.01 . 2 . . . . . . . . 5701 1 997 . 1 1 93 93 VAL CG1 C 13 21.984 0.1 . 1 . . . . . . . . 5701 1 998 . 1 1 93 93 VAL HG11 H 1 0.850 0.01 . 2 . . . . . . . . 5701 1 999 . 1 1 93 93 VAL HG12 H 1 0.850 0.01 . 2 . . . . . . . . 5701 1 1000 . 1 1 93 93 VAL HG13 H 1 0.850 0.01 . 2 . . . . . . . . 5701 1 1001 . 1 1 93 93 VAL C C 13 176.276 0.1 . 1 . . . . . . . . 5701 1 1002 . 1 1 94 94 PHE N N 15 131.859 0.1 . 1 . . . . . . . . 5701 1 1003 . 1 1 94 94 PHE H H 1 9.605 0.01 . 1 . . . . . . . . 5701 1 1004 . 1 1 94 94 PHE CA C 13 60.192 0.1 . 1 . . . . . . . . 5701 1 1005 . 1 1 94 94 PHE HA H 1 4.421 0.01 . 1 . . . . . . . . 5701 1 1006 . 1 1 94 94 PHE CB C 13 39.766 0.1 . 1 . . . . . . . . 5701 1 1007 . 1 1 94 94 PHE HB3 H 1 2.670 0.01 . 2 . . . . . . . . 5701 1 1008 . 1 1 94 94 PHE HB2 H 1 2.731 0.01 . 2 . . . . . . . . 5701 1 1009 . 1 1 94 94 PHE HD1 H 1 6.746 0.01 . 1 . . . . . . . . 5701 1 1010 . 1 1 94 94 PHE HE1 H 1 6.935 0.01 . 1 . . . . . . . . 5701 1 1011 . 1 1 94 94 PHE HZ H 1 7.246 0.01 . 1 . . . . . . . . 5701 1 1012 . 1 1 94 94 PHE HE2 H 1 6.935 0.01 . 1 . . . . . . . . 5701 1 1013 . 1 1 94 94 PHE HD2 H 1 6.746 0.01 . 1 . . . . . . . . 5701 1 1014 . 1 1 94 94 PHE C C 13 175.095 0.1 . 1 . . . . . . . . 5701 1 1015 . 1 1 95 95 THR N N 15 126.632 0.1 . 1 . . . . . . . . 5701 1 1016 . 1 1 95 95 THR H H 1 8.229 0.01 . 1 . . . . . . . . 5701 1 1017 . 1 1 95 95 THR CA C 13 59.983 0.1 . 1 . . . . . . . . 5701 1 1018 . 1 1 95 95 THR HA H 1 4.519 0.01 . 1 . . . . . . . . 5701 1 1019 . 1 1 95 95 THR CB C 13 71.548 0.1 . 1 . . . . . . . . 5701 1 1020 . 1 1 95 95 THR HB H 1 3.830 0.01 . 1 . . . . . . . . 5701 1 1021 . 1 1 95 95 THR CG2 C 13 21.154 0.1 . 1 . . . . . . . . 5701 1 1022 . 1 1 95 95 THR HG21 H 1 1.182 0.01 . 1 . . . . . . . . 5701 1 1023 . 1 1 95 95 THR HG22 H 1 1.182 0.01 . 1 . . . . . . . . 5701 1 1024 . 1 1 95 95 THR HG23 H 1 1.182 0.01 . 1 . . . . . . . . 5701 1 1025 . 1 1 95 95 THR C C 13 172.592 0.1 . 1 . . . . . . . . 5701 1 1026 . 1 1 96 96 PRO CA C 13 62.966 0.1 . 1 . . . . . . . . 5701 1 1027 . 1 1 96 96 PRO HA H 1 4.427 0.01 . 1 . . . . . . . . 5701 1 1028 . 1 1 96 96 PRO CB C 13 33.232 0.1 . 1 . . . . . . . . 5701 1 1029 . 1 1 96 96 PRO HB3 H 1 1.751 0.01 . 2 . . . . . . . . 5701 1 1030 . 1 1 96 96 PRO HB2 H 1 2.023 0.01 . 2 . . . . . . . . 5701 1 1031 . 1 1 96 96 PRO CG C 13 27.906 0.1 . 1 . . . . . . . . 5701 1 1032 . 1 1 96 96 PRO HG3 H 1 0.947 0.01 . 2 . . . . . . . . 5701 1 1033 . 1 1 96 96 PRO CD C 13 52.337 0.1 . 1 . . . . . . . . 5701 1 1034 . 1 1 96 96 PRO HD3 H 1 3.417 0.01 . 2 . . . . . . . . 5701 1 1035 . 1 1 96 96 PRO HD2 H 1 3.307 0.01 . 2 . . . . . . . . 5701 1 1036 . 1 1 96 96 PRO C C 13 177.283 0.1 . 1 . . . . . . . . 5701 1 1037 . 1 1 97 97 GLY N N 15 111.308 0.1 . 1 . . . . . . . . 5701 1 1038 . 1 1 97 97 GLY H H 1 8.687 0.01 . 1 . . . . . . . . 5701 1 1039 . 1 1 97 97 GLY CA C 13 45.722 0.1 . 1 . . . . . . . . 5701 1 1040 . 1 1 97 97 GLY HA3 H 1 4.081 0.01 . 2 . . . . . . . . 5701 1 1041 . 1 1 97 97 GLY HA2 H 1 3.658 0.01 . 2 . . . . . . . . 5701 1 1042 . 1 1 97 97 GLY C C 13 174.885 0.1 . 1 . . . . . . . . 5701 1 1043 . 1 1 98 98 GLY N N 15 108.942 0.1 . 1 . . . . . . . . 5701 1 1044 . 1 1 98 98 GLY H H 1 8.391 0.01 . 1 . . . . . . . . 5701 1 1045 . 1 1 98 98 GLY CA C 13 45.755 0.1 . 1 . . . . . . . . 5701 1 1046 . 1 1 98 98 GLY HA3 H 1 4.141 0.01 . 2 . . . . . . . . 5701 1 1047 . 1 1 98 98 GLY HA2 H 1 3.860 0.01 . 2 . . . . . . . . 5701 1 1048 . 1 1 98 98 GLY C C 13 174.885 0.1 . 1 . . . . . . . . 5701 1 1049 . 1 1 99 99 ALA N N 15 122.127 0.1 . 1 . . . . . . . . 5701 1 1050 . 1 1 99 99 ALA H H 1 8.240 0.01 . 1 . . . . . . . . 5701 1 1051 . 1 1 99 99 ALA CA C 13 53.337 0.1 . 1 . . . . . . . . 5701 1 1052 . 1 1 99 99 ALA HA H 1 4.277 0.01 . 1 . . . . . . . . 5701 1 1053 . 1 1 99 99 ALA CB C 13 20.253 0.1 . 1 . . . . . . . . 5701 1 1054 . 1 1 99 99 ALA HB1 H 1 1.486 0.01 . 1 . . . . . . . . 5701 1 1055 . 1 1 99 99 ALA HB2 H 1 1.486 0.01 . 1 . . . . . . . . 5701 1 1056 . 1 1 99 99 ALA HB3 H 1 1.486 0.01 . 1 . . . . . . . . 5701 1 1057 . 1 1 99 99 ALA C C 13 179.242 0.1 . 1 . . . . . . . . 5701 1 1058 . 1 1 100 100 GLY N N 15 109.117 0.1 . 1 . . . . . . . . 5701 1 1059 . 1 1 100 100 GLY H H 1 8.382 0.01 . 1 . . . . . . . . 5701 1 1060 . 1 1 100 100 GLY CA C 13 46.746 0.1 . 1 . . . . . . . . 5701 1 1061 . 1 1 100 100 GLY HA3 H 1 4.009 0.01 . 2 . . . . . . . . 5701 1 1062 . 1 1 100 100 GLY HA2 H 1 3.812 0.01 . 2 . . . . . . . . 5701 1 1063 . 1 1 100 100 GLY C C 13 173.865 0.1 . 1 . . . . . . . . 5701 1 1064 . 1 1 101 101 ALA N N 15 121.324 0.1 . 1 . . . . . . . . 5701 1 1065 . 1 1 101 101 ALA H H 1 7.640 0.01 . 1 . . . . . . . . 5701 1 1066 . 1 1 101 101 ALA CA C 13 51.572 0.1 . 1 . . . . . . . . 5701 1 1067 . 1 1 101 101 ALA HA H 1 4.460 0.01 . 1 . . . . . . . . 5701 1 1068 . 1 1 101 101 ALA CB C 13 21.095 0.1 . 1 . . . . . . . . 5701 1 1069 . 1 1 101 101 ALA HB1 H 1 1.301 0.01 . 1 . . . . . . . . 5701 1 1070 . 1 1 101 101 ALA HB2 H 1 1.301 0.01 . 1 . . . . . . . . 5701 1 1071 . 1 1 101 101 ALA HB3 H 1 1.301 0.01 . 1 . . . . . . . . 5701 1 1072 . 1 1 101 101 ALA C C 13 177.522 0.1 . 1 . . . . . . . . 5701 1 1073 . 1 1 102 102 ASN CA C 13 54.271 0.1 . 1 . . . . . . . . 5701 1 1074 . 1 1 102 102 ASN HA H 1 4.776 0.01 . 1 . . . . . . . . 5701 1 1075 . 1 1 102 102 ASN HB3 H 1 2.896 0.01 . 2 . . . . . . . . 5701 1 1076 . 1 1 102 102 ASN HB2 H 1 3.048 0.01 . 2 . . . . . . . . 5701 1 1077 . 1 1 102 102 ASN ND2 N 15 113.115 0.1 . 1 . . . . . . . . 5701 1 1078 . 1 1 102 102 ASN HD21 H 1 5.955 0.01 . 2 . . . . . . . . 5701 1 1079 . 1 1 102 102 ASN HD22 H 1 8.590 0.01 . 2 . . . . . . . . 5701 1 1080 . 1 1 102 102 ASN C C 13 175.399 0.1 . 1 . . . . . . . . 5701 1 1081 . 1 1 103 103 PRO CA C 13 64.976 0.1 . 1 . . . . . . . . 5701 1 1082 . 1 1 103 103 PRO HA H 1 4.254 0.01 . 1 . . . . . . . . 5701 1 1083 . 1 1 103 103 PRO CB C 13 32.571 0.1 . 1 . . . . . . . . 5701 1 1084 . 1 1 103 103 PRO HB3 H 1 1.242 0.01 . 2 . . . . . . . . 5701 1 1085 . 1 1 103 103 PRO HB2 H 1 2.038 0.01 . 2 . . . . . . . . 5701 1 1086 . 1 1 103 103 PRO CG C 13 27.325 0.1 . 1 . . . . . . . . 5701 1 1087 . 1 1 103 103 PRO HG3 H 1 1.780 0.01 . 2 . . . . . . . . 5701 1 1088 . 1 1 103 103 PRO CD C 13 51.353 0.1 . 1 . . . . . . . . 5701 1 1089 . 1 1 103 103 PRO HD2 H 1 3.870 0.01 . 2 . . . . . . . . 5701 1 1090 . 1 1 103 103 PRO C C 13 177.281 0.1 . 1 . . . . . . . . 5701 1 1091 . 1 1 104 104 PHE N N 15 115.582 0.1 . 1 . . . . . . . . 5701 1 1092 . 1 1 104 104 PHE H H 1 8.024 0.01 . 1 . . . . . . . . 5701 1 1093 . 1 1 104 104 PHE CA C 13 59.063 0.1 . 1 . . . . . . . . 5701 1 1094 . 1 1 104 104 PHE HA H 1 4.594 0.01 . 1 . . . . . . . . 5701 1 1095 . 1 1 104 104 PHE CB C 13 40.983 0.1 . 1 . . . . . . . . 5701 1 1096 . 1 1 104 104 PHE HB3 H 1 2.915 0.01 . 2 . . . . . . . . 5701 1 1097 . 1 1 104 104 PHE HB2 H 1 3.068 0.01 . 2 . . . . . . . . 5701 1 1098 . 1 1 104 104 PHE HD1 H 1 7.195 0.01 . 3 . . . . . . . . 5701 1 1099 . 1 1 104 104 PHE HE1 H 1 7.338 0.01 . 3 . . . . . . . . 5701 1 1100 . 1 1 104 104 PHE C C 13 176.378 0.1 . 1 . . . . . . . . 5701 1 1101 . 1 1 105 105 VAL N N 15 119.323 0.1 . 1 . . . . . . . . 5701 1 1102 . 1 1 105 105 VAL H H 1 7.443 0.01 . 1 . . . . . . . . 5701 1 1103 . 1 1 105 105 VAL CA C 13 67.757 0.1 . 1 . . . . . . . . 5701 1 1104 . 1 1 105 105 VAL HA H 1 3.634 0.01 . 1 . . . . . . . . 5701 1 1105 . 1 1 105 105 VAL CB C 13 34.475 0.1 . 1 . . . . . . . . 5701 1 1106 . 1 1 105 105 VAL HB H 1 2.080 0.01 . 1 . . . . . . . . 5701 1 1107 . 1 1 105 105 VAL CG2 C 13 22.538 0.1 . 1 . . . . . . . . 5701 1 1108 . 1 1 105 105 VAL HG21 H 1 1.037 0.01 . 2 . . . . . . . . 5701 1 1109 . 1 1 105 105 VAL HG22 H 1 1.037 0.01 . 2 . . . . . . . . 5701 1 1110 . 1 1 105 105 VAL HG23 H 1 1.037 0.01 . 2 . . . . . . . . 5701 1 1111 . 1 1 105 105 VAL C C 13 177.533 0.1 . 1 . . . . . . . . 5701 1 1112 . 1 1 106 106 VAL N N 15 120.809 0.1 . 1 . . . . . . . . 5701 1 1113 . 1 1 106 106 VAL H H 1 7.780 0.01 . 1 . . . . . . . . 5701 1 1114 . 1 1 106 106 VAL CA C 13 66.383 0.1 . 1 . . . . . . . . 5701 1 1115 . 1 1 106 106 VAL HA H 1 3.522 0.01 . 1 . . . . . . . . 5701 1 1116 . 1 1 106 106 VAL CB C 13 38.035 0.1 . 1 . . . . . . . . 5701 1 1117 . 1 1 106 106 VAL HB H 1 2.210 0.01 . 1 . . . . . . . . 5701 1 1118 . 1 1 106 106 VAL C C 13 178.133 0.1 . 1 . . . . . . . . 5701 1 1119 . 1 1 107 107 PRO CA C 13 66.445 0.1 . 1 . . . . . . . . 5701 1 1120 . 1 1 107 107 PRO HA H 1 4.499 0.01 . 1 . . . . . . . . 5701 1 1121 . 1 1 107 107 PRO CB C 13 31.894 0.1 . 1 . . . . . . . . 5701 1 1122 . 1 1 107 107 PRO HB3 H 1 1.758 0.01 . 2 . . . . . . . . 5701 1 1123 . 1 1 107 107 PRO HB2 H 1 2.359 0.01 . 2 . . . . . . . . 5701 1 1124 . 1 1 107 107 PRO CG C 13 28.639 0.1 . 1 . . . . . . . . 5701 1 1125 . 1 1 107 107 PRO HG3 H 1 2.012 0.01 . 2 . . . . . . . . 5701 1 1126 . 1 1 107 107 PRO HG2 H 1 2.127 0.01 . 2 . . . . . . . . 5701 1 1127 . 1 1 107 107 PRO CD C 13 50.810 0.1 . 1 . . . . . . . . 5701 1 1128 . 1 1 107 107 PRO HD3 H 1 3.373 0.01 . 2 . . . . . . . . 5701 1 1129 . 1 1 107 107 PRO HD2 H 1 3.456 0.01 . 2 . . . . . . . . 5701 1 1130 . 1 1 107 107 PRO C C 13 180.539 0.1 . 1 . . . . . . . . 5701 1 1131 . 1 1 108 108 LEU N N 15 119.462 0.1 . 1 . . . . . . . . 5701 1 1132 . 1 1 108 108 LEU H H 1 7.102 0.01 . 1 . . . . . . . . 5701 1 1133 . 1 1 108 108 LEU CA C 13 59.584 0.1 . 1 . . . . . . . . 5701 1 1134 . 1 1 108 108 LEU HA H 1 4.060 0.01 . 1 . . . . . . . . 5701 1 1135 . 1 1 108 108 LEU CB C 13 43.083 0.1 . 1 . . . . . . . . 5701 1 1136 . 1 1 108 108 LEU HB3 H 1 1.878 0.01 . 2 . . . . . . . . 5701 1 1137 . 1 1 108 108 LEU HB2 H 1 1.582 0.01 . 2 . . . . . . . . 5701 1 1138 . 1 1 108 108 LEU CG C 13 25.731 0.1 . 1 . . . . . . . . 5701 1 1139 . 1 1 108 108 LEU HG H 1 1.066 0.01 . 1 . . . . . . . . 5701 1 1140 . 1 1 108 108 LEU CD1 C 13 25.731 0.1 . 1 . . . . . . . . 5701 1 1141 . 1 1 108 108 LEU HD11 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1142 . 1 1 108 108 LEU HD12 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1143 . 1 1 108 108 LEU HD13 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1144 . 1 1 108 108 LEU CD2 C 13 24.068 0.1 . 1 . . . . . . . . 5701 1 1145 . 1 1 108 108 LEU HD21 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1146 . 1 1 108 108 LEU HD22 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1147 . 1 1 108 108 LEU HD23 H 1 0.923 0.01 . 1 . . . . . . . . 5701 1 1148 . 1 1 108 108 LEU C C 13 179.100 0.1 . 1 . . . . . . . . 5701 1 1149 . 1 1 109 109 ILE N N 15 118.782 0.1 . 1 . . . . . . . . 5701 1 1150 . 1 1 109 109 ILE H H 1 7.985 0.01 . 1 . . . . . . . . 5701 1 1151 . 1 1 109 109 ILE CA C 13 63.525 0.1 . 1 . . . . . . . . 5701 1 1152 . 1 1 109 109 ILE HA H 1 3.655 0.01 . 1 . . . . . . . . 5701 1 1153 . 1 1 109 109 ILE CB C 13 37.655 0.1 . 1 . . . . . . . . 5701 1 1154 . 1 1 109 109 ILE HB H 1 2.113 0.01 . 1 . . . . . . . . 5701 1 1155 . 1 1 109 109 ILE CG1 C 13 28.027 0.1 . 2 . . . . . . . . 5701 1 1156 . 1 1 109 109 ILE HG12 H 1 1.564 0.01 . 1 . . . . . . . . 5701 1 1157 . 1 1 109 109 ILE CD1 C 13 11.769 0.1 . 1 . . . . . . . . 5701 1 1158 . 1 1 109 109 ILE HD11 H 1 0.992 0.01 . 1 . . . . . . . . 5701 1 1159 . 1 1 109 109 ILE HD12 H 1 0.992 0.01 . 1 . . . . . . . . 5701 1 1160 . 1 1 109 109 ILE HD13 H 1 0.992 0.01 . 1 . . . . . . . . 5701 1 1161 . 1 1 109 109 ILE CG2 C 13 17.928 0.1 . 1 . . . . . . . . 5701 1 1162 . 1 1 109 109 ILE HG21 H 1 0.920 0.01 . 1 . . . . . . . . 5701 1 1163 . 1 1 109 109 ILE HG22 H 1 0.920 0.01 . 1 . . . . . . . . 5701 1 1164 . 1 1 109 109 ILE HG23 H 1 0.920 0.01 . 1 . . . . . . . . 5701 1 1165 . 1 1 109 109 ILE C C 13 179.479 0.1 . 1 . . . . . . . . 5701 1 1166 . 1 1 110 110 ALA N N 15 124.782 0.1 . 1 . . . . . . . . 5701 1 1167 . 1 1 110 110 ALA H H 1 8.890 0.01 . 1 . . . . . . . . 5701 1 1168 . 1 1 110 110 ALA CA C 13 56.325 0.1 . 1 . . . . . . . . 5701 1 1169 . 1 1 110 110 ALA HA H 1 3.934 0.01 . 1 . . . . . . . . 5701 1 1170 . 1 1 110 110 ALA CB C 13 19.125 0.1 . 1 . . . . . . . . 5701 1 1171 . 1 1 110 110 ALA HB1 H 1 1.412 0.01 . 1 . . . . . . . . 5701 1 1172 . 1 1 110 110 ALA HB2 H 1 1.412 0.01 . 1 . . . . . . . . 5701 1 1173 . 1 1 110 110 ALA HB3 H 1 1.412 0.01 . 1 . . . . . . . . 5701 1 1174 . 1 1 110 110 ALA C C 13 181.021 0.1 . 1 . . . . . . . . 5701 1 1175 . 1 1 111 111 SER N N 15 111.667 0.1 . 1 . . . . . . . . 5701 1 1176 . 1 1 111 111 SER H H 1 7.897 0.01 . 1 . . . . . . . . 5701 1 1177 . 1 1 111 111 SER CA C 13 62.787 0.1 . 1 . . . . . . . . 5701 1 1178 . 1 1 111 111 SER HA H 1 4.169 0.01 . 1 . . . . . . . . 5701 1 1179 . 1 1 111 111 SER CB C 13 63.860 0.1 . 1 . . . . . . . . 5701 1 1180 . 1 1 111 111 SER HB3 H 1 4.071 0.01 . 2 . . . . . . . . 5701 1 1181 . 1 1 111 111 SER C C 13 177.143 0.1 . 1 . . . . . . . . 5701 1 1182 . 1 1 112 112 ALA N N 15 125.548 0.1 . 1 . . . . . . . . 5701 1 1183 . 1 1 112 112 ALA H H 1 8.040 0.01 . 1 . . . . . . . . 5701 1 1184 . 1 1 112 112 ALA CA C 13 56.223 0.1 . 1 . . . . . . . . 5701 1 1185 . 1 1 112 112 ALA HA H 1 3.971 0.01 . 1 . . . . . . . . 5701 1 1186 . 1 1 112 112 ALA CB C 13 20.044 0.1 . 1 . . . . . . . . 5701 1 1187 . 1 1 112 112 ALA HB1 H 1 1.608 0.01 . 1 . . . . . . . . 5701 1 1188 . 1 1 112 112 ALA HB2 H 1 1.608 0.01 . 1 . . . . . . . . 5701 1 1189 . 1 1 112 112 ALA HB3 H 1 1.608 0.01 . 1 . . . . . . . . 5701 1 1190 . 1 1 112 112 ALA C C 13 178.382 0.1 . 1 . . . . . . . . 5701 1 1191 . 1 1 113 113 SER N N 15 113.896 0.1 . 1 . . . . . . . . 5701 1 1192 . 1 1 113 113 SER H H 1 8.033 0.01 . 1 . . . . . . . . 5701 1 1193 . 1 1 113 113 SER CA C 13 61.756 0.1 . 1 . . . . . . . . 5701 1 1194 . 1 1 113 113 SER HA H 1 3.346 0.01 . 1 . . . . . . . . 5701 1 1195 . 1 1 113 113 SER CB C 13 62.913 0.1 . 1 . . . . . . . . 5701 1 1196 . 1 1 113 113 SER HB3 H 1 2.806 0.01 . 2 . . . . . . . . 5701 1 1197 . 1 1 113 113 SER HB2 H 1 3.322 0.01 . 2 . . . . . . . . 5701 1 1198 . 1 1 113 113 SER C C 13 176.457 0.1 . 1 . . . . . . . . 5701 1 1199 . 1 1 114 114 ILE N N 15 120.684 0.1 . 1 . . . . . . . . 5701 1 1200 . 1 1 114 114 ILE H H 1 7.065 0.01 . 1 . . . . . . . . 5701 1 1201 . 1 1 114 114 ILE CA C 13 63.636 0.1 . 1 . . . . . . . . 5701 1 1202 . 1 1 114 114 ILE HA H 1 3.811 0.01 . 1 . . . . . . . . 5701 1 1203 . 1 1 114 114 ILE CB C 13 39.088 0.1 . 1 . . . . . . . . 5701 1 1204 . 1 1 114 114 ILE HB H 1 1.725 0.01 . 1 . . . . . . . . 5701 1 1205 . 1 1 114 114 ILE CG1 C 13 29.712 0.1 . 2 . . . . . . . . 5701 1 1206 . 1 1 114 114 ILE HG13 H 1 1.540 0.01 . 1 . . . . . . . . 5701 1 1207 . 1 1 114 114 ILE HG12 H 1 1.124 0.01 . 1 . . . . . . . . 5701 1 1208 . 1 1 114 114 ILE CD1 C 13 13.574 0.1 . 1 . . . . . . . . 5701 1 1209 . 1 1 114 114 ILE HD11 H 1 0.792 0.01 . 1 . . . . . . . . 5701 1 1210 . 1 1 114 114 ILE HD12 H 1 0.792 0.01 . 1 . . . . . . . . 5701 1 1211 . 1 1 114 114 ILE HD13 H 1 0.792 0.01 . 1 . . . . . . . . 5701 1 1212 . 1 1 114 114 ILE CG2 C 13 18.038 0.1 . 1 . . . . . . . . 5701 1 1213 . 1 1 114 114 ILE HG21 H 1 0.910 0.01 . 1 . . . . . . . . 5701 1 1214 . 1 1 114 114 ILE HG22 H 1 0.910 0.01 . 1 . . . . . . . . 5701 1 1215 . 1 1 114 114 ILE HG23 H 1 0.910 0.01 . 1 . . . . . . . . 5701 1 1216 . 1 1 114 114 ILE C C 13 178.170 0.1 . 1 . . . . . . . . 5701 1 1217 . 1 1 115 115 LYS N N 15 121.183 0.1 . 1 . . . . . . . . 5701 1 1218 . 1 1 115 115 LYS H H 1 7.001 0.01 . 1 . . . . . . . . 5701 1 1219 . 1 1 115 115 LYS CA C 13 58.672 0.1 . 1 . . . . . . . . 5701 1 1220 . 1 1 115 115 LYS HA H 1 3.775 0.01 . 1 . . . . . . . . 5701 1 1221 . 1 1 115 115 LYS CB C 13 34.093 0.1 . 1 . . . . . . . . 5701 1 1222 . 1 1 115 115 LYS HB3 H 1 0.823 0.01 . 2 . . . . . . . . 5701 1 1223 . 1 1 115 115 LYS HB2 H 1 1.115 0.01 . 2 . . . . . . . . 5701 1 1224 . 1 1 115 115 LYS CG C 13 25.151 0.1 . 1 . . . . . . . . 5701 1 1225 . 1 1 115 115 LYS HG3 H 1 0.258 0.01 . 2 . . . . . . . . 5701 1 1226 . 1 1 115 115 LYS HG2 H 1 -0.026 0.01 . 2 . . . . . . . . 5701 1 1227 . 1 1 115 115 LYS CD C 13 29.625 0.1 . 1 . . . . . . . . 5701 1 1228 . 1 1 115 115 LYS HD3 H 1 1.107 0.01 . 2 . . . . . . . . 5701 1 1229 . 1 1 115 115 LYS HD2 H 1 0.768 0.01 . 2 . . . . . . . . 5701 1 1230 . 1 1 115 115 LYS CE C 13 42.983 0.1 . 1 . . . . . . . . 5701 1 1231 . 1 1 115 115 LYS HE3 H 1 2.623 0.01 . 2 . . . . . . . . 5701 1 1232 . 1 1 115 115 LYS HE2 H 1 2.773 0.01 . 2 . . . . . . . . 5701 1 1233 . 1 1 115 115 LYS C C 13 177.048 0.1 . 1 . . . . . . . . 5701 1 1234 . 1 1 116 116 TYR N N 15 115.368 0.1 . 1 . . . . . . . . 5701 1 1235 . 1 1 116 116 TYR H H 1 8.039 0.01 . 1 . . . . . . . . 5701 1 1236 . 1 1 116 116 TYR CA C 13 54.525 0.1 . 1 . . . . . . . . 5701 1 1237 . 1 1 116 116 TYR HA H 1 5.058 0.01 . 1 . . . . . . . . 5701 1 1238 . 1 1 116 116 TYR CB C 13 39.385 0.1 . 1 . . . . . . . . 5701 1 1239 . 1 1 116 116 TYR HB3 H 1 2.629 0.01 . 2 . . . . . . . . 5701 1 1240 . 1 1 116 116 TYR HB2 H 1 2.859 0.01 . 2 . . . . . . . . 5701 1 1241 . 1 1 116 116 TYR CD1 C 13 134.271 0.1 . 3 . . . . . . . . 5701 1 1242 . 1 1 116 116 TYR HD1 H 1 6.990 0.01 . 3 . . . . . . . . 5701 1 1243 . 1 1 116 116 TYR CE1 C 13 117.733 0.1 . 3 . . . . . . . . 5701 1 1244 . 1 1 116 116 TYR HE1 H 1 6.408 0.01 . 3 . . . . . . . . 5701 1 1245 . 1 1 116 116 TYR C C 13 174.223 0.1 . 1 . . . . . . . . 5701 1 1246 . 1 1 117 117 PRO CA C 13 67.015 0.1 . 1 . . . . . . . . 5701 1 1247 . 1 1 117 117 PRO HA H 1 4.562 0.01 . 1 . . . . . . . . 5701 1 1248 . 1 1 117 117 PRO CB C 13 32.105 0.1 . 1 . . . . . . . . 5701 1 1249 . 1 1 117 117 PRO HB3 H 1 1.854 0.01 . 2 . . . . . . . . 5701 1 1250 . 1 1 117 117 PRO HB2 H 1 2.396 0.01 . 2 . . . . . . . . 5701 1 1251 . 1 1 117 117 PRO CG C 13 28.281 0.1 . 1 . . . . . . . . 5701 1 1252 . 1 1 117 117 PRO HG3 H 1 2.207 0.01 . 2 . . . . . . . . 5701 1 1253 . 1 1 117 117 PRO HG2 H 1 2.069 0.01 . 2 . . . . . . . . 5701 1 1254 . 1 1 117 117 PRO CD C 13 50.679 0.1 . 1 . . . . . . . . 5701 1 1255 . 1 1 117 117 PRO HD3 H 1 3.405 0.01 . 2 . . . . . . . . 5701 1 1256 . 1 1 117 117 PRO HD2 H 1 3.635 0.01 . 2 . . . . . . . . 5701 1 1257 . 1 1 117 117 PRO C C 13 181.074 0.1 . 1 . . . . . . . . 5701 1 1258 . 1 1 118 118 HIS N N 15 115.576 0.1 . 1 . . . . . . . . 5701 1 1259 . 1 1 118 118 HIS H H 1 8.609 0.01 . 1 . . . . . . . . 5701 1 1260 . 1 1 118 118 HIS CA C 13 58.977 0.1 . 1 . . . . . . . . 5701 1 1261 . 1 1 118 118 HIS HA H 1 4.541 0.01 . 1 . . . . . . . . 5701 1 1262 . 1 1 118 118 HIS CB C 13 30.521 0.1 . 1 . . . . . . . . 5701 1 1263 . 1 1 118 118 HIS HB3 H 1 3.146 0.01 . 2 . . . . . . . . 5701 1 1264 . 1 1 118 118 HIS HB2 H 1 3.242 0.01 . 2 . . . . . . . . 5701 1 1265 . 1 1 118 118 HIS C C 13 177.468 0.1 . 1 . . . . . . . . 5701 1 1266 . 1 1 119 119 MET N N 15 117.961 0.1 . 1 . . . . . . . . 5701 1 1267 . 1 1 119 119 MET H H 1 7.676 0.01 . 1 . . . . . . . . 5701 1 1268 . 1 1 119 119 MET CA C 13 55.018 0.1 . 1 . . . . . . . . 5701 1 1269 . 1 1 119 119 MET HA H 1 4.630 0.01 . 1 . . . . . . . . 5701 1 1270 . 1 1 119 119 MET CB C 13 31.583 0.1 . 1 . . . . . . . . 5701 1 1271 . 1 1 119 119 MET HB3 H 1 1.973 0.01 . 2 . . . . . . . . 5701 1 1272 . 1 1 119 119 MET HB2 H 1 2.042 0.01 . 2 . . . . . . . . 5701 1 1273 . 1 1 119 119 MET CG C 13 33.384 0.1 . 1 . . . . . . . . 5701 1 1274 . 1 1 119 119 MET HG3 H 1 1.728 0.01 . 2 . . . . . . . . 5701 1 1275 . 1 1 119 119 MET HG2 H 1 1.862 0.01 . 2 . . . . . . . . 5701 1 1276 . 1 1 119 119 MET C C 13 174.679 0.1 . 1 . . . . . . . . 5701 1 1277 . 1 1 120 120 PHE N N 15 115.617 0.1 . 1 . . . . . . . . 5701 1 1278 . 1 1 120 120 PHE H H 1 7.377 0.01 . 1 . . . . . . . . 5701 1 1279 . 1 1 120 120 PHE CA C 13 58.475 0.1 . 1 . . . . . . . . 5701 1 1280 . 1 1 120 120 PHE HA H 1 4.548 0.01 . 1 . . . . . . . . 5701 1 1281 . 1 1 120 120 PHE CB C 13 41.212 0.1 . 1 . . . . . . . . 5701 1 1282 . 1 1 120 120 PHE HB3 H 1 2.598 0.01 . 2 . . . . . . . . 5701 1 1283 . 1 1 120 120 PHE HB2 H 1 3.609 0.01 . 2 . . . . . . . . 5701 1 1284 . 1 1 120 120 PHE HD1 H 1 7.399 0.01 . 3 . . . . . . . . 5701 1 1285 . 1 1 120 120 PHE HE1 H 1 6.533 0.01 . 3 . . . . . . . . 5701 1 1286 . 1 1 120 120 PHE HZ H 1 6.957 0.01 . 1 . . . . . . . . 5701 1 1287 . 1 1 120 120 PHE C C 13 175.693 0.1 . 1 . . . . . . . . 5701 1 1288 . 1 1 121 121 ILE N N 15 119.820 0.1 . 1 . . . . . . . . 5701 1 1289 . 1 1 121 121 ILE H H 1 7.451 0.01 . 1 . . . . . . . . 5701 1 1290 . 1 1 121 121 ILE CA C 13 64.263 0.1 . 1 . . . . . . . . 5701 1 1291 . 1 1 121 121 ILE HA H 1 4.080 0.01 . 1 . . . . . . . . 5701 1 1292 . 1 1 121 121 ILE CB C 13 39.979 0.1 . 1 . . . . . . . . 5701 1 1293 . 1 1 121 121 ILE HB H 1 1.952 0.01 . 1 . . . . . . . . 5701 1 1294 . 1 1 121 121 ILE CG1 C 13 28.574 0.1 . 2 . . . . . . . . 5701 1 1295 . 1 1 121 121 ILE HG13 H 1 1.338 0.01 . 1 . . . . . . . . 5701 1 1296 . 1 1 121 121 ILE HG12 H 1 1.707 0.01 . 1 . . . . . . . . 5701 1 1297 . 1 1 121 121 ILE CD1 C 13 14.155 0.1 . 1 . . . . . . . . 5701 1 1298 . 1 1 121 121 ILE HD11 H 1 0.976 0.01 . 1 . . . . . . . . 5701 1 1299 . 1 1 121 121 ILE HD12 H 1 0.976 0.01 . 1 . . . . . . . . 5701 1 1300 . 1 1 121 121 ILE HD13 H 1 0.976 0.01 . 1 . . . . . . . . 5701 1 1301 . 1 1 121 121 ILE CG2 C 13 18.452 0.1 . 1 . . . . . . . . 5701 1 1302 . 1 1 121 121 ILE HG21 H 1 1.024 0.01 . 1 . . . . . . . . 5701 1 1303 . 1 1 121 121 ILE HG22 H 1 1.024 0.01 . 1 . . . . . . . . 5701 1 1304 . 1 1 121 121 ILE HG23 H 1 1.024 0.01 . 1 . . . . . . . . 5701 1 1305 . 1 1 121 121 ILE C C 13 177.209 0.1 . 1 . . . . . . . . 5701 1 1306 . 1 1 122 122 ASN N N 15 118.711 0.1 . 1 . . . . . . . . 5701 1 1307 . 1 1 122 122 ASN H H 1 8.409 0.01 . 1 . . . . . . . . 5701 1 1308 . 1 1 122 122 ASN CA C 13 53.349 0.1 . 1 . . . . . . . . 5701 1 1309 . 1 1 122 122 ASN HA H 1 4.937 0.01 . 1 . . . . . . . . 5701 1 1310 . 1 1 122 122 ASN CB C 13 41.496 0.1 . 1 . . . . . . . . 5701 1 1311 . 1 1 122 122 ASN HB3 H 1 2.804 0.01 . 2 . . . . . . . . 5701 1 1312 . 1 1 122 122 ASN HB2 H 1 2.936 0.01 . 2 . . . . . . . . 5701 1 1313 . 1 1 122 122 ASN C C 13 176.723 0.1 . 1 . . . . . . . . 5701 1 1314 . 1 1 123 123 HIS CA C 13 56.585 0.1 . 1 . . . . . . . . 5701 1 1315 . 1 1 123 123 HIS CB C 13 35.060 0.1 . 1 . . . . . . . . 5701 1 1316 . 1 1 123 123 HIS HD1 H 1 11.270 0.01 . 1 . . . . . . . . 5701 1 1317 . 1 1 123 123 HIS C C 13 178.155 0.1 . 1 . . . . . . . . 5701 1 1318 . 1 1 124 124 ASN N N 15 122.566 0.1 . 1 . . . . . . . . 5701 1 1319 . 1 1 124 124 ASN H H 1 8.375 0.01 . 1 . . . . . . . . 5701 1 1320 . 1 1 124 124 ASN CA C 13 53.326 0.1 . 1 . . . . . . . . 5701 1 1321 . 1 1 125 125 GLN CA C 13 59.488 0.1 . 1 . . . . . . . . 5701 1 1322 . 1 1 125 125 GLN HA H 1 3.748 0.01 . 1 . . . . . . . . 5701 1 1323 . 1 1 125 125 GLN CB C 13 29.453 0.1 . 1 . . . . . . . . 5701 1 1324 . 1 1 125 125 GLN HB2 H 1 2.204 0.01 . 2 . . . . . . . . 5701 1 1325 . 1 1 125 125 GLN CG C 13 35.648 0.1 . 1 . . . . . . . . 5701 1 1326 . 1 1 125 125 GLN NE2 N 15 111.175 0.1 . 1 . . . . . . . . 5701 1 1327 . 1 1 125 125 GLN HE21 H 1 6.622 0.01 . 2 . . . . . . . . 5701 1 1328 . 1 1 125 125 GLN HE22 H 1 7.262 0.01 . 2 . . . . . . . . 5701 1 1329 . 1 1 125 125 GLN C C 13 178.257 0.1 . 1 . . . . . . . . 5701 1 1330 . 1 1 126 126 GLN N N 15 118.655 0.1 . 1 . . . . . . . . 5701 1 1331 . 1 1 126 126 GLN H H 1 7.907 0.01 . 1 . . . . . . . . 5701 1 1332 . 1 1 126 126 GLN CA C 13 61.041 0.1 . 1 . . . . . . . . 5701 1 1333 . 1 1 126 126 GLN HA H 1 3.985 0.01 . 1 . . . . . . . . 5701 1 1334 . 1 1 126 126 GLN CB C 13 29.814 0.1 . 1 . . . . . . . . 5701 1 1335 . 1 1 126 126 GLN HB3 H 1 2.320 0.01 . 2 . . . . . . . . 5701 1 1336 . 1 1 126 126 GLN HB2 H 1 2.255 0.01 . 2 . . . . . . . . 5701 1 1337 . 1 1 126 126 GLN CG C 13 34.705 0.1 . 1 . . . . . . . . 5701 1 1338 . 1 1 126 126 GLN HG3 H 1 2.419 0.01 . 2 . . . . . . . . 5701 1 1339 . 1 1 126 126 GLN HG2 H 1 2.589 0.01 . 2 . . . . . . . . 5701 1 1340 . 1 1 126 126 GLN C C 13 179.805 0.1 . 1 . . . . . . . . 5701 1 1341 . 1 1 127 127 VAL N N 15 118.240 0.1 . 1 . . . . . . . . 5701 1 1342 . 1 1 127 127 VAL H H 1 8.232 0.01 . 1 . . . . . . . . 5701 1 1343 . 1 1 127 127 VAL CA C 13 67.075 0.1 . 1 . . . . . . . . 5701 1 1344 . 1 1 127 127 VAL HA H 1 3.649 0.01 . 1 . . . . . . . . 5701 1 1345 . 1 1 127 127 VAL CB C 13 32.813 0.1 . 1 . . . . . . . . 5701 1 1346 . 1 1 127 127 VAL HB H 1 1.984 0.01 . 1 . . . . . . . . 5701 1 1347 . 1 1 127 127 VAL CG2 C 13 21.856 0.1 . 1 . . . . . . . . 5701 1 1348 . 1 1 127 127 VAL HG21 H 1 0.895 0.01 . 2 . . . . . . . . 5701 1 1349 . 1 1 127 127 VAL HG22 H 1 0.895 0.01 . 2 . . . . . . . . 5701 1 1350 . 1 1 127 127 VAL HG23 H 1 0.895 0.01 . 2 . . . . . . . . 5701 1 1351 . 1 1 127 127 VAL CG1 C 13 22.922 0.1 . 1 . . . . . . . . 5701 1 1352 . 1 1 127 127 VAL HG11 H 1 0.818 0.01 . 2 . . . . . . . . 5701 1 1353 . 1 1 127 127 VAL HG12 H 1 0.818 0.01 . 2 . . . . . . . . 5701 1 1354 . 1 1 127 127 VAL HG13 H 1 0.818 0.01 . 2 . . . . . . . . 5701 1 1355 . 1 1 127 127 VAL C C 13 179.514 0.1 . 1 . . . . . . . . 5701 1 1356 . 1 1 128 128 SER N N 15 117.261 0.1 . 1 . . . . . . . . 5701 1 1357 . 1 1 128 128 SER H H 1 7.700 0.01 . 1 . . . . . . . . 5701 1 1358 . 1 1 128 128 SER CA C 13 62.482 0.1 . 1 . . . . . . . . 5701 1 1359 . 1 1 128 128 SER HA H 1 4.249 0.01 . 1 . . . . . . . . 5701 1 1360 . 1 1 128 128 SER CB C 13 63.385 0.1 . 1 . . . . . . . . 5701 1 1361 . 1 1 128 128 SER HB3 H 1 3.713 0.01 . 2 . . . . . . . . 5701 1 1362 . 1 1 128 128 SER HB2 H 1 3.641 0.01 . 2 . . . . . . . . 5701 1 1363 . 1 1 128 128 SER C C 13 179.187 0.1 . 1 . . . . . . . . 5701 1 1364 . 1 1 129 129 PHE N N 15 121.826 0.1 . 1 . . . . . . . . 5701 1 1365 . 1 1 129 129 PHE H H 1 8.438 0.01 . 1 . . . . . . . . 5701 1 1366 . 1 1 129 129 PHE CA C 13 62.056 0.1 . 1 . . . . . . . . 5701 1 1367 . 1 1 129 129 PHE HA H 1 4.677 0.01 . 1 . . . . . . . . 5701 1 1368 . 1 1 129 129 PHE CB C 13 39.055 0.1 . 1 . . . . . . . . 5701 1 1369 . 1 1 129 129 PHE HB3 H 1 3.020 0.01 . 2 . . . . . . . . 5701 1 1370 . 1 1 129 129 PHE HB2 H 1 3.165 0.01 . 2 . . . . . . . . 5701 1 1371 . 1 1 129 129 PHE CD1 C 13 131.679 0.1 . 3 . . . . . . . . 5701 1 1372 . 1 1 129 129 PHE HD1 H 1 6.586 0.01 . 3 . . . . . . . . 5701 1 1373 . 1 1 129 129 PHE HE1 H 1 7.162 0.01 . 3 . . . . . . . . 5701 1 1374 . 1 1 129 129 PHE HZ H 1 6.869 0.01 . 1 . . . . . . . . 5701 1 1375 . 1 1 129 129 PHE C C 13 178.776 0.1 . 1 . . . . . . . . 5701 1 1376 . 1 1 130 130 LYS N N 15 122.707 0.1 . 1 . . . . . . . . 5701 1 1377 . 1 1 130 130 LYS H H 1 8.339 0.01 . 1 . . . . . . . . 5701 1 1378 . 1 1 130 130 LYS CA C 13 61.691 0.1 . 1 . . . . . . . . 5701 1 1379 . 1 1 130 130 LYS HA H 1 4.098 0.01 . 1 . . . . . . . . 5701 1 1380 . 1 1 130 130 LYS CB C 13 33.127 0.1 . 1 . . . . . . . . 5701 1 1381 . 1 1 130 130 LYS HB3 H 1 1.553 0.01 . 2 . . . . . . . . 5701 1 1382 . 1 1 130 130 LYS HB2 H 1 2.067 0.01 . 2 . . . . . . . . 5701 1 1383 . 1 1 130 130 LYS CG C 13 26.396 0.1 . 1 . . . . . . . . 5701 1 1384 . 1 1 130 130 LYS HG2 H 1 1.483 0.01 . 2 . . . . . . . . 5701 1 1385 . 1 1 130 130 LYS CD C 13 30.578 0.1 . 1 . . . . . . . . 5701 1 1386 . 1 1 130 130 LYS HD2 H 1 1.743 0.01 . 2 . . . . . . . . 5701 1 1387 . 1 1 130 130 LYS CE C 13 43.170 0.1 . 1 . . . . . . . . 5701 1 1388 . 1 1 130 130 LYS C C 13 178.142 0.1 . 1 . . . . . . . . 5701 1 1389 . 1 1 131 131 ALA N N 15 121.304 0.1 . 1 . . . . . . . . 5701 1 1390 . 1 1 131 131 ALA H H 1 8.184 0.01 . 1 . . . . . . . . 5701 1 1391 . 1 1 131 131 ALA CA C 13 55.826 0.1 . 1 . . . . . . . . 5701 1 1392 . 1 1 131 131 ALA HA H 1 4.268 0.01 . 1 . . . . . . . . 5701 1 1393 . 1 1 131 131 ALA CB C 13 18.739 0.1 . 1 . . . . . . . . 5701 1 1394 . 1 1 131 131 ALA HB1 H 1 1.558 0.01 . 1 . . . . . . . . 5701 1 1395 . 1 1 131 131 ALA HB2 H 1 1.558 0.01 . 1 . . . . . . . . 5701 1 1396 . 1 1 131 131 ALA HB3 H 1 1.558 0.01 . 1 . . . . . . . . 5701 1 1397 . 1 1 131 131 ALA C C 13 181.586 0.1 . 1 . . . . . . . . 5701 1 1398 . 1 1 132 132 TYR N N 15 120.305 0.1 . 1 . . . . . . . . 5701 1 1399 . 1 1 132 132 TYR H H 1 7.965 0.01 . 1 . . . . . . . . 5701 1 1400 . 1 1 132 132 TYR CA C 13 62.739 0.1 . 1 . . . . . . . . 5701 1 1401 . 1 1 132 132 TYR HA H 1 4.114 0.01 . 1 . . . . . . . . 5701 1 1402 . 1 1 132 132 TYR CB C 13 39.342 0.1 . 1 . . . . . . . . 5701 1 1403 . 1 1 132 132 TYR HB3 H 1 2.794 0.01 . 2 . . . . . . . . 5701 1 1404 . 1 1 132 132 TYR HB2 H 1 2.524 0.01 . 2 . . . . . . . . 5701 1 1405 . 1 1 132 132 TYR HD1 H 1 7.399 0.01 . 3 . . . . . . . . 5701 1 1406 . 1 1 132 132 TYR HE1 H 1 7.190 0.01 . 3 . . . . . . . . 5701 1 1407 . 1 1 132 132 TYR C C 13 177.053 0.1 . 1 . . . . . . . . 5701 1 1408 . 1 1 133 133 ALA N N 15 121.536 0.1 . 1 . . . . . . . . 5701 1 1409 . 1 1 133 133 ALA H H 1 8.535 0.01 . 1 . . . . . . . . 5701 1 1410 . 1 1 133 133 ALA CA C 13 55.808 0.1 . 1 . . . . . . . . 5701 1 1411 . 1 1 133 133 ALA HA H 1 3.917 0.01 . 1 . . . . . . . . 5701 1 1412 . 1 1 133 133 ALA CB C 13 20.134 0.1 . 1 . . . . . . . . 5701 1 1413 . 1 1 133 133 ALA HB1 H 1 1.716 0.01 . 1 . . . . . . . . 5701 1 1414 . 1 1 133 133 ALA HB2 H 1 1.716 0.01 . 1 . . . . . . . . 5701 1 1415 . 1 1 133 133 ALA HB3 H 1 1.716 0.01 . 1 . . . . . . . . 5701 1 1416 . 1 1 133 133 ALA C C 13 179.307 0.1 . 1 . . . . . . . . 5701 1 1417 . 1 1 134 134 GLU N N 15 115.769 0.1 . 1 . . . . . . . . 5701 1 1418 . 1 1 134 134 GLU H H 1 8.409 0.01 . 1 . . . . . . . . 5701 1 1419 . 1 1 134 134 GLU CA C 13 60.806 0.1 . 1 . . . . . . . . 5701 1 1420 . 1 1 134 134 GLU HA H 1 3.757 0.01 . 1 . . . . . . . . 5701 1 1421 . 1 1 134 134 GLU CB C 13 30.424 0.1 . 1 . . . . . . . . 5701 1 1422 . 1 1 134 134 GLU HB3 H 1 2.096 0.01 . 2 . . . . . . . . 5701 1 1423 . 1 1 134 134 GLU HB2 H 1 2.215 0.01 . 2 . . . . . . . . 5701 1 1424 . 1 1 134 134 GLU CG C 13 38.080 0.1 . 1 . . . . . . . . 5701 1 1425 . 1 1 134 134 GLU HG3 H 1 2.527 0.01 . 2 . . . . . . . . 5701 1 1426 . 1 1 134 134 GLU HG2 H 1 2.325 0.01 . 2 . . . . . . . . 5701 1 1427 . 1 1 134 134 GLU C C 13 179.372 0.1 . 1 . . . . . . . . 5701 1 1428 . 1 1 135 135 LYS N N 15 120.374 0.1 . 1 . . . . . . . . 5701 1 1429 . 1 1 135 135 LYS H H 1 7.785 0.01 . 1 . . . . . . . . 5701 1 1430 . 1 1 135 135 LYS CA C 13 60.816 0.1 . 1 . . . . . . . . 5701 1 1431 . 1 1 135 135 LYS HA H 1 3.976 0.01 . 1 . . . . . . . . 5701 1 1432 . 1 1 135 135 LYS CB C 13 33.313 0.1 . 1 . . . . . . . . 5701 1 1433 . 1 1 135 135 LYS HB3 H 1 1.941 0.01 . 2 . . . . . . . . 5701 1 1434 . 1 1 135 135 LYS CG C 13 25.721 0.1 . 1 . . . . . . . . 5701 1 1435 . 1 1 135 135 LYS HG3 H 1 1.226 0.01 . 2 . . . . . . . . 5701 1 1436 . 1 1 135 135 LYS CD C 13 30.515 0.1 . 1 . . . . . . . . 5701 1 1437 . 1 1 135 135 LYS HD3 H 1 1.512 0.01 . 2 . . . . . . . . 5701 1 1438 . 1 1 135 135 LYS HD2 H 1 1.671 0.01 . 2 . . . . . . . . 5701 1 1439 . 1 1 135 135 LYS CE C 13 43.109 0.1 . 1 . . . . . . . . 5701 1 1440 . 1 1 135 135 LYS HE2 H 1 2.975 0.01 . 2 . . . . . . . . 5701 1 1441 . 1 1 135 135 LYS C C 13 181.169 0.1 . 1 . . . . . . . . 5701 1 1442 . 1 1 136 136 ILE N N 15 114.257 0.1 . 1 . . . . . . . . 5701 1 1443 . 1 1 136 136 ILE H H 1 8.329 0.01 . 1 . . . . . . . . 5701 1 1444 . 1 1 136 136 ILE CA C 13 66.704 0.1 . 1 . . . . . . . . 5701 1 1445 . 1 1 136 136 ILE HA H 1 3.985 0.01 . 1 . . . . . . . . 5701 1 1446 . 1 1 136 136 ILE CB C 13 37.688 0.1 . 1 . . . . . . . . 5701 1 1447 . 1 1 136 136 ILE HB H 1 1.791 0.01 . 1 . . . . . . . . 5701 1 1448 . 1 1 136 136 ILE HG13 H 1 1.561 0.01 . 1 . . . . . . . . 5701 1 1449 . 1 1 136 136 ILE HG12 H 1 1.430 0.01 . 1 . . . . . . . . 5701 1 1450 . 1 1 136 136 ILE CD1 C 13 15.334 0.1 . 1 . . . . . . . . 5701 1 1451 . 1 1 136 136 ILE HD11 H 1 0.828 0.01 . 1 . . . . . . . . 5701 1 1452 . 1 1 136 136 ILE HD12 H 1 0.828 0.01 . 1 . . . . . . . . 5701 1 1453 . 1 1 136 136 ILE HD13 H 1 0.828 0.01 . 1 . . . . . . . . 5701 1 1454 . 1 1 136 136 ILE CG2 C 13 19.178 0.1 . 1 . . . . . . . . 5701 1 1455 . 1 1 136 136 ILE HG21 H 1 0.576 0.01 . 1 . . . . . . . . 5701 1 1456 . 1 1 136 136 ILE HG22 H 1 0.576 0.01 . 1 . . . . . . . . 5701 1 1457 . 1 1 136 136 ILE HG23 H 1 0.576 0.01 . 1 . . . . . . . . 5701 1 1458 . 1 1 136 136 ILE C C 13 180.075 0.1 . 1 . . . . . . . . 5701 1 1459 . 1 1 137 137 VAL N N 15 124.587 0.1 . 1 . . . . . . . . 5701 1 1460 . 1 1 137 137 VAL H H 1 8.082 0.01 . 1 . . . . . . . . 5701 1 1461 . 1 1 137 137 VAL CA C 13 68.269 0.1 . 1 . . . . . . . . 5701 1 1462 . 1 1 137 137 VAL HA H 1 3.547 0.01 . 1 . . . . . . . . 5701 1 1463 . 1 1 137 137 VAL CB C 13 32.442 0.1 . 1 . . . . . . . . 5701 1 1464 . 1 1 137 137 VAL HB H 1 2.049 0.01 . 1 . . . . . . . . 5701 1 1465 . 1 1 137 137 VAL CG2 C 13 23.397 0.1 . 1 . . . . . . . . 5701 1 1466 . 1 1 137 137 VAL HG21 H 1 1.044 0.01 . 2 . . . . . . . . 5701 1 1467 . 1 1 137 137 VAL HG22 H 1 1.044 0.01 . 2 . . . . . . . . 5701 1 1468 . 1 1 137 137 VAL HG23 H 1 1.044 0.01 . 2 . . . . . . . . 5701 1 1469 . 1 1 137 137 VAL HG11 H 1 0.839 0.01 . 2 . . . . . . . . 5701 1 1470 . 1 1 137 137 VAL HG12 H 1 0.839 0.01 . 2 . . . . . . . . 5701 1 1471 . 1 1 137 137 VAL HG13 H 1 0.839 0.01 . 2 . . . . . . . . 5701 1 1472 . 1 1 137 137 VAL C C 13 178.169 0.1 . 1 . . . . . . . . 5701 1 1473 . 1 1 138 138 MET N N 15 118.225 0.1 . 1 . . . . . . . . 5701 1 1474 . 1 1 138 138 MET H H 1 8.299 0.01 . 1 . . . . . . . . 5701 1 1475 . 1 1 138 138 MET CA C 13 58.704 0.1 . 1 . . . . . . . . 5701 1 1476 . 1 1 138 138 MET HA H 1 3.942 0.01 . 1 . . . . . . . . 5701 1 1477 . 1 1 138 138 MET CB C 13 31.777 0.1 . 1 . . . . . . . . 5701 1 1478 . 1 1 138 138 MET C C 13 179.913 0.1 . 1 . . . . . . . . 5701 1 1479 . 1 1 139 139 LYS N N 15 120.636 0.1 . 1 . . . . . . . . 5701 1 1480 . 1 1 139 139 LYS H H 1 7.788 0.01 . 1 . . . . . . . . 5701 1 1481 . 1 1 139 139 LYS CA C 13 60.116 0.1 . 1 . . . . . . . . 5701 1 1482 . 1 1 139 139 LYS HA H 1 4.063 0.01 . 1 . . . . . . . . 5701 1 1483 . 1 1 139 139 LYS CB C 13 33.443 0.1 . 1 . . . . . . . . 5701 1 1484 . 1 1 139 139 LYS HB3 H 1 1.912 0.01 . 1 . . . . . . . . 5701 1 1485 . 1 1 139 139 LYS HB2 H 1 1.912 0.01 . 1 . . . . . . . . 5701 1 1486 . 1 1 139 139 LYS CG C 13 25.739 0.1 . 1 . . . . . . . . 5701 1 1487 . 1 1 139 139 LYS HG3 H 1 1.430 0.01 . 2 . . . . . . . . 5701 1 1488 . 1 1 139 139 LYS HG2 H 1 1.532 0.01 . 2 . . . . . . . . 5701 1 1489 . 1 1 139 139 LYS CD C 13 30.136 0.1 . 1 . . . . . . . . 5701 1 1490 . 1 1 139 139 LYS HD3 H 1 1.689 0.01 . 2 . . . . . . . . 5701 1 1491 . 1 1 139 139 LYS CE C 13 43.057 0.1 . 1 . . . . . . . . 5701 1 1492 . 1 1 139 139 LYS C C 13 179.626 0.1 . 1 . . . . . . . . 5701 1 1493 . 1 1 140 140 GLU N N 15 120.726 0.1 . 1 . . . . . . . . 5701 1 1494 . 1 1 140 140 GLU H H 1 7.639 0.01 . 1 . . . . . . . . 5701 1 1495 . 1 1 140 140 GLU CA C 13 59.142 0.1 . 1 . . . . . . . . 5701 1 1496 . 1 1 140 140 GLU HA H 1 4.251 0.01 . 1 . . . . . . . . 5701 1 1497 . 1 1 140 140 GLU CB C 13 31.260 0.1 . 1 . . . . . . . . 5701 1 1498 . 1 1 140 140 GLU HB3 H 1 2.003 0.01 . 2 . . . . . . . . 5701 1 1499 . 1 1 140 140 GLU HB2 H 1 2.167 0.01 . 2 . . . . . . . . 5701 1 1500 . 1 1 140 140 GLU CG C 13 35.745 0.1 . 1 . . . . . . . . 5701 1 1501 . 1 1 140 140 GLU HG2 H 1 2.325 0.01 . 2 . . . . . . . . 5701 1 1502 . 1 1 140 140 GLU C C 13 178.209 0.1 . 1 . . . . . . . . 5701 1 1503 . 1 1 141 141 VAL N N 15 106.598 0.1 . 1 . . . . . . . . 5701 1 1504 . 1 1 141 141 VAL H H 1 8.047 0.01 . 1 . . . . . . . . 5701 1 1505 . 1 1 141 141 VAL CA C 13 63.201 0.1 . 1 . . . . . . . . 5701 1 1506 . 1 1 141 141 VAL HA H 1 4.354 0.01 . 1 . . . . . . . . 5701 1 1507 . 1 1 141 141 VAL CB C 13 33.607 0.1 . 1 . . . . . . . . 5701 1 1508 . 1 1 141 141 VAL HB H 1 2.453 0.01 . 1 . . . . . . . . 5701 1 1509 . 1 1 141 141 VAL CG2 C 13 22.382 0.1 . 1 . . . . . . . . 5701 1 1510 . 1 1 141 141 VAL HG21 H 1 1.028 0.01 . 2 . . . . . . . . 5701 1 1511 . 1 1 141 141 VAL HG22 H 1 1.028 0.01 . 2 . . . . . . . . 5701 1 1512 . 1 1 141 141 VAL HG23 H 1 1.028 0.01 . 2 . . . . . . . . 5701 1 1513 . 1 1 141 141 VAL CG1 C 13 20.864 0.1 . 1 . . . . . . . . 5701 1 1514 . 1 1 141 141 VAL HG11 H 1 1.280 0.01 . 2 . . . . . . . . 5701 1 1515 . 1 1 141 141 VAL HG12 H 1 1.280 0.01 . 2 . . . . . . . . 5701 1 1516 . 1 1 141 141 VAL HG13 H 1 1.280 0.01 . 2 . . . . . . . . 5701 1 1517 . 1 1 141 141 VAL C C 13 178.159 0.1 . 1 . . . . . . . . 5701 1 1518 . 1 1 142 142 THR N N 15 119.517 0.1 . 1 . . . . . . . . 5701 1 1519 . 1 1 142 142 THR H H 1 7.787 0.01 . 1 . . . . . . . . 5701 1 1520 . 1 1 142 142 THR CA C 13 60.727 0.1 . 1 . . . . . . . . 5701 1 1521 . 1 1 142 142 THR HA H 1 4.261 0.01 . 1 . . . . . . . . 5701 1 1522 . 1 1 142 142 THR CB C 13 68.627 0.1 . 1 . . . . . . . . 5701 1 1523 . 1 1 142 142 THR HB H 1 4.788 0.01 . 1 . . . . . . . . 5701 1 1524 . 1 1 142 142 THR C C 13 177.250 0.1 . 1 . . . . . . . . 5701 1 1525 . 1 1 143 143 PRO CA C 13 66.409 0.1 . 1 . . . . . . . . 5701 1 1526 . 1 1 143 143 PRO HA H 1 4.491 0.01 . 1 . . . . . . . . 5701 1 1527 . 1 1 143 143 PRO CB C 13 32.409 0.1 . 1 . . . . . . . . 5701 1 1528 . 1 1 143 143 PRO HB3 H 1 1.280 0.01 . 2 . . . . . . . . 5701 1 1529 . 1 1 143 143 PRO HB2 H 1 1.968 0.01 . 2 . . . . . . . . 5701 1 1530 . 1 1 143 143 PRO CG C 13 29.111 0.1 . 1 . . . . . . . . 5701 1 1531 . 1 1 143 143 PRO HG3 H 1 2.121 0.01 . 2 . . . . . . . . 5701 1 1532 . 1 1 143 143 PRO HG2 H 1 2.425 0.01 . 2 . . . . . . . . 5701 1 1533 . 1 1 143 143 PRO CD C 13 52.195 0.1 . 1 . . . . . . . . 5701 1 1534 . 1 1 143 143 PRO C C 13 178.761 0.1 . 1 . . . . . . . . 5701 1 1535 . 1 1 144 144 LEU N N 15 116.827 0.1 . 1 . . . . . . . . 5701 1 1536 . 1 1 144 144 LEU H H 1 7.999 0.01 . 1 . . . . . . . . 5701 1 1537 . 1 1 144 144 LEU CA C 13 58.342 0.1 . 1 . . . . . . . . 5701 1 1538 . 1 1 144 144 LEU HA H 1 3.996 0.01 . 1 . . . . . . . . 5701 1 1539 . 1 1 144 144 LEU CB C 13 41.848 0.1 . 1 . . . . . . . . 5701 1 1540 . 1 1 144 144 LEU HB3 H 1 1.212 0.01 . 2 . . . . . . . . 5701 1 1541 . 1 1 144 144 LEU HB2 H 1 1.848 0.01 . 2 . . . . . . . . 5701 1 1542 . 1 1 144 144 LEU CG C 13 29.432 0.1 . 1 . . . . . . . . 5701 1 1543 . 1 1 144 144 LEU HG H 1 1.715 0.01 . 1 . . . . . . . . 5701 1 1544 . 1 1 144 144 LEU CD1 C 13 25.963 0.1 . 1 . . . . . . . . 5701 1 1545 . 1 1 144 144 LEU HD11 H 1 0.851 0.01 . 2 . . . . . . . . 5701 1 1546 . 1 1 144 144 LEU HD12 H 1 0.851 0.01 . 2 . . . . . . . . 5701 1 1547 . 1 1 144 144 LEU HD13 H 1 0.851 0.01 . 2 . . . . . . . . 5701 1 1548 . 1 1 144 144 LEU CD2 C 13 24.866 0.1 . 1 . . . . . . . . 5701 1 1549 . 1 1 144 144 LEU C C 13 179.053 0.1 . 1 . . . . . . . . 5701 1 1550 . 1 1 145 145 PHE N N 15 116.064 0.1 . 1 . . . . . . . . 5701 1 1551 . 1 1 145 145 PHE H H 1 7.943 0.01 . 1 . . . . . . . . 5701 1 1552 . 1 1 145 145 PHE CA C 13 59.808 0.1 . 1 . . . . . . . . 5701 1 1553 . 1 1 145 145 PHE HA H 1 4.355 0.01 . 1 . . . . . . . . 5701 1 1554 . 1 1 145 145 PHE CB C 13 39.660 0.1 . 1 . . . . . . . . 5701 1 1555 . 1 1 145 145 PHE HE1 H 1 7.217 0.01 . 3 . . . . . . . . 5701 1 1556 . 1 1 145 145 PHE HB3 H 1 3.214 0.01 . 1 . . . . . . . . 5701 1 1557 . 1 1 145 145 PHE C C 13 177.438 0.1 . 1 . . . . . . . . 5701 1 1558 . 1 1 146 146 ASN N N 15 119.544 0.1 . 1 . . . . . . . . 5701 1 1559 . 1 1 146 146 ASN H H 1 7.729 0.01 . 1 . . . . . . . . 5701 1 1560 . 1 1 146 146 ASN CA C 13 55.660 0.1 . 1 . . . . . . . . 5701 1 1561 . 1 1 146 146 ASN HA H 1 4.642 0.01 . 1 . . . . . . . . 5701 1 1562 . 1 1 146 146 ASN CB C 13 39.552 0.1 . 1 . . . . . . . . 5701 1 1563 . 1 1 146 146 ASN HB3 H 1 2.994 0.01 . 2 . . . . . . . . 5701 1 1564 . 1 1 146 146 ASN HB2 H 1 2.941 0.01 . 2 . . . . . . . . 5701 1 1565 . 1 1 146 146 ASN C C 13 176.429 0.1 . 1 . . . . . . . . 5701 1 1566 . 1 1 147 147 LYS N N 15 118.979 0.1 . 1 . . . . . . . . 5701 1 1567 . 1 1 147 147 LYS H H 1 8.044 0.01 . 1 . . . . . . . . 5701 1 1568 . 1 1 147 147 LYS CA C 13 57.333 0.1 . 1 . . . . . . . . 5701 1 1569 . 1 1 147 147 LYS HA H 1 4.379 0.01 . 1 . . . . . . . . 5701 1 1570 . 1 1 147 147 LYS CB C 13 33.382 0.1 . 1 . . . . . . . . 5701 1 1571 . 1 1 147 147 LYS HB3 H 1 1.853 0.01 . 2 . . . . . . . . 5701 1 1572 . 1 1 147 147 LYS HB2 H 1 1.991 0.01 . 2 . . . . . . . . 5701 1 1573 . 1 1 147 147 LYS CG C 13 25.754 0.1 . 1 . . . . . . . . 5701 1 1574 . 1 1 147 147 LYS HG3 H 1 1.432 0.01 . 2 . . . . . . . . 5701 1 1575 . 1 1 147 147 LYS CD C 13 29.755 0.1 . 1 . . . . . . . . 5701 1 1576 . 1 1 147 147 LYS HD3 H 1 1.661 0.01 . 2 . . . . . . . . 5701 1 1577 . 1 1 147 147 LYS CE C 13 43.019 0.1 . 1 . . . . . . . . 5701 1 1578 . 1 1 147 147 LYS HE2 H 1 2.981 0.01 . 2 . . . . . . . . 5701 1 1579 . 1 1 147 147 LYS C C 13 177.399 0.1 . 1 . . . . . . . . 5701 1 1580 . 1 1 148 148 GLY N N 15 108.321 0.1 . 1 . . . . . . . . 5701 1 1581 . 1 1 148 148 GLY H H 1 7.905 0.01 . 1 . . . . . . . . 5701 1 1582 . 1 1 148 148 GLY CA C 13 45.958 0.1 . 1 . . . . . . . . 5701 1 1583 . 1 1 148 148 GLY HA3 H 1 4.254 0.01 . 2 . . . . . . . . 5701 1 1584 . 1 1 148 148 GLY HA2 H 1 4.206 0.01 . 2 . . . . . . . . 5701 1 1585 . 1 1 148 148 GLY C C 13 175.201 0.1 . 1 . . . . . . . . 5701 1 1586 . 1 1 149 149 THR N N 15 109.690 0.1 . 1 . . . . . . . . 5701 1 1587 . 1 1 149 149 THR H H 1 8.255 0.01 . 1 . . . . . . . . 5701 1 1588 . 1 1 149 149 THR CA C 13 62.776 0.1 . 1 . . . . . . . . 5701 1 1589 . 1 1 149 149 THR HA H 1 4.396 0.01 . 1 . . . . . . . . 5701 1 1590 . 1 1 149 149 THR CB C 13 69.945 0.1 . 1 . . . . . . . . 5701 1 1591 . 1 1 149 149 THR HB H 1 4.417 0.01 . 1 . . . . . . . . 5701 1 1592 . 1 1 149 149 THR CG2 C 13 22.686 0.1 . 1 . . . . . . . . 5701 1 1593 . 1 1 149 149 THR HG21 H 1 1.175 0.01 . 1 . . . . . . . . 5701 1 1594 . 1 1 149 149 THR HG22 H 1 1.175 0.01 . 1 . . . . . . . . 5701 1 1595 . 1 1 149 149 THR HG23 H 1 1.175 0.01 . 1 . . . . . . . . 5701 1 1596 . 1 1 149 149 THR C C 13 175.795 0.1 . 1 . . . . . . . . 5701 1 1597 . 1 1 150 150 MET N N 15 123.040 0.1 . 1 . . . . . . . . 5701 1 1598 . 1 1 150 150 MET H H 1 7.933 0.01 . 1 . . . . . . . . 5701 1 1599 . 1 1 150 150 MET CA C 13 55.412 0.1 . 1 . . . . . . . . 5701 1 1600 . 1 1 150 150 MET HA H 1 4.772 0.01 . 1 . . . . . . . . 5701 1 1601 . 1 1 150 150 MET CB C 13 35.535 0.1 . 1 . . . . . . . . 5701 1 1602 . 1 1 150 150 MET HB3 H 1 2.072 0.01 . 2 . . . . . . . . 5701 1 1603 . 1 1 150 150 MET HB2 H 1 2.242 0.01 . 2 . . . . . . . . 5701 1 1604 . 1 1 150 150 MET CG C 13 33.423 0.1 . 1 . . . . . . . . 5701 1 1605 . 1 1 150 150 MET HG3 H 1 2.673 0.01 . 2 . . . . . . . . 5701 1 1606 . 1 1 150 150 MET HG2 H 1 2.812 0.01 . 2 . . . . . . . . 5701 1 1607 . 1 1 150 150 MET C C 13 174.304 0.1 . 1 . . . . . . . . 5701 1 1608 . 1 1 151 151 PRO CA C 13 63.228 0.1 . 1 . . . . . . . . 5701 1 1609 . 1 1 151 151 PRO HA H 1 4.603 0.01 . 1 . . . . . . . . 5701 1 1610 . 1 1 151 151 PRO CB C 13 32.901 0.1 . 1 . . . . . . . . 5701 1 1611 . 1 1 151 151 PRO HB3 H 1 1.943 0.01 . 2 . . . . . . . . 5701 1 1612 . 1 1 151 151 PRO HB2 H 1 2.312 0.01 . 2 . . . . . . . . 5701 1 1613 . 1 1 151 151 PRO CG C 13 28.210 0.1 . 1 . . . . . . . . 5701 1 1614 . 1 1 151 151 PRO HG3 H 1 1.819 0.01 . 2 . . . . . . . . 5701 1 1615 . 1 1 151 151 PRO HG2 H 1 2.051 0.01 . 2 . . . . . . . . 5701 1 1616 . 1 1 151 151 PRO HD2 H 1 3.575 0.01 . 1 . . . . . . . . 5701 1 1617 . 1 1 151 151 PRO CD C 13 51.256 0.1 . 1 . . . . . . . . 5701 1 1618 . 1 1 151 151 PRO C C 13 174.687 0.1 . 1 . . . . . . . . 5701 1 1619 . 1 1 152 152 THR N N 15 105.701 0.1 . 1 . . . . . . . . 5701 1 1620 . 1 1 152 152 THR H H 1 7.768 0.01 . 1 . . . . . . . . 5701 1 1621 . 1 1 152 152 THR CA C 13 60.846 0.1 . 1 . . . . . . . . 5701 1 1622 . 1 1 152 152 THR HA H 1 3.755 0.01 . 1 . . . . . . . . 5701 1 1623 . 1 1 152 152 THR CB C 13 68.709 0.1 . 1 . . . . . . . . 5701 1 1624 . 1 1 152 152 THR HB H 1 4.538 0.01 . 1 . . . . . . . . 5701 1 1625 . 1 1 152 152 THR HG1 H 1 5.588 0.01 . 1 . . . . . . . . 5701 1 1626 . 1 1 152 152 THR HG21 H 1 1.402 0.01 . 1 . . . . . . . . 5701 1 1627 . 1 1 152 152 THR HG22 H 1 1.402 0.01 . 1 . . . . . . . . 5701 1 1628 . 1 1 152 152 THR HG23 H 1 1.402 0.01 . 1 . . . . . . . . 5701 1 1629 . 1 1 152 152 THR C C 13 174.308 0.1 . 1 . . . . . . . . 5701 1 1630 . 1 1 153 153 PRO CA C 13 66.759 0.1 . 1 . . . . . . . . 5701 1 1631 . 1 1 153 153 PRO HA H 1 3.895 0.01 . 1 . . . . . . . . 5701 1 1632 . 1 1 153 153 PRO CB C 13 32.531 0.1 . 1 . . . . . . . . 5701 1 1633 . 1 1 153 153 PRO HB3 H 1 1.807 0.01 . 2 . . . . . . . . 5701 1 1634 . 1 1 153 153 PRO HB2 H 1 1.993 0.01 . 2 . . . . . . . . 5701 1 1635 . 1 1 153 153 PRO CG C 13 29.887 0.1 . 1 . . . . . . . . 5701 1 1636 . 1 1 153 153 PRO HG3 H 1 1.334 0.01 . 2 . . . . . . . . 5701 1 1637 . 1 1 153 153 PRO CD C 13 49.283 0.1 . 1 . . . . . . . . 5701 1 1638 . 1 1 153 153 PRO C C 13 179.034 0.1 . 1 . . . . . . . . 5701 1 1639 . 1 1 154 154 GLN N N 15 115.987 0.1 . 1 . . . . . . . . 5701 1 1640 . 1 1 154 154 GLN H H 1 8.321 0.01 . 1 . . . . . . . . 5701 1 1641 . 1 1 154 154 GLN CA C 13 60.518 0.1 . 1 . . . . . . . . 5701 1 1642 . 1 1 154 154 GLN HA H 1 3.979 0.01 . 1 . . . . . . . . 5701 1 1643 . 1 1 154 154 GLN CB C 13 28.770 0.1 . 1 . . . . . . . . 5701 1 1644 . 1 1 154 154 GLN HB3 H 1 2.088 0.01 . 2 . . . . . . . . 5701 1 1645 . 1 1 154 154 GLN HB2 H 1 1.941 0.01 . 2 . . . . . . . . 5701 1 1646 . 1 1 154 154 GLN CG C 13 35.056 0.1 . 1 . . . . . . . . 5701 1 1647 . 1 1 154 154 GLN HG3 H 1 2.411 0.01 . 2 . . . . . . . . 5701 1 1648 . 1 1 154 154 GLN HG2 H 1 2.505 0.01 . 2 . . . . . . . . 5701 1 1649 . 1 1 154 154 GLN C C 13 179.380 0.1 . 1 . . . . . . . . 5701 1 1650 . 1 1 155 155 GLN N N 15 121.170 0.1 . 1 . . . . . . . . 5701 1 1651 . 1 1 155 155 GLN H H 1 7.808 0.01 . 1 . . . . . . . . 5701 1 1652 . 1 1 155 155 GLN CA C 13 59.436 0.1 . 1 . . . . . . . . 5701 1 1653 . 1 1 155 155 GLN HA H 1 4.007 0.01 . 1 . . . . . . . . 5701 1 1654 . 1 1 155 155 GLN CB C 13 29.488 0.1 . 1 . . . . . . . . 5701 1 1655 . 1 1 155 155 GLN HB3 H 1 2.048 0.01 . 2 . . . . . . . . 5701 1 1656 . 1 1 155 155 GLN HB2 H 1 2.305 0.01 . 2 . . . . . . . . 5701 1 1657 . 1 1 155 155 GLN CG C 13 34.833 0.1 . 1 . . . . . . . . 5701 1 1658 . 1 1 155 155 GLN HG2 H 1 2.435 0.01 . 2 . . . . . . . . 5701 1 1659 . 1 1 155 155 GLN C C 13 179.468 0.1 . 1 . . . . . . . . 5701 1 1660 . 1 1 156 156 PHE N N 15 124.002 0.1 . 1 . . . . . . . . 5701 1 1661 . 1 1 156 156 PHE H H 1 9.025 0.01 . 1 . . . . . . . . 5701 1 1662 . 1 1 156 156 PHE CA C 13 60.313 0.1 . 1 . . . . . . . . 5701 1 1663 . 1 1 156 156 PHE HA H 1 3.900 0.01 . 1 . . . . . . . . 5701 1 1664 . 1 1 156 156 PHE CB C 13 40.948 0.1 . 1 . . . . . . . . 5701 1 1665 . 1 1 156 156 PHE HB3 H 1 2.917 0.01 . 2 . . . . . . . . 5701 1 1666 . 1 1 156 156 PHE HB2 H 1 3.110 0.01 . 2 . . . . . . . . 5701 1 1667 . 1 1 156 156 PHE HE1 H 1 7.333 0.01 . 1 . . . . . . . . 5701 1 1668 . 1 1 156 156 PHE C C 13 177.547 0.1 . 1 . . . . . . . . 5701 1 1669 . 1 1 157 157 GLN N N 15 118.454 0.1 . 1 . . . . . . . . 5701 1 1670 . 1 1 157 157 GLN H H 1 8.383 0.01 . 1 . . . . . . . . 5701 1 1671 . 1 1 157 157 GLN CA C 13 60.649 0.1 . 1 . . . . . . . . 5701 1 1672 . 1 1 157 157 GLN HA H 1 3.487 0.01 . 1 . . . . . . . . 5701 1 1673 . 1 1 157 157 GLN CB C 13 28.966 0.1 . 1 . . . . . . . . 5701 1 1674 . 1 1 157 157 GLN HB3 H 1 2.080 0.01 . 2 . . . . . . . . 5701 1 1675 . 1 1 157 157 GLN CG C 13 33.880 0.1 . 1 . . . . . . . . 5701 1 1676 . 1 1 157 157 GLN HG3 H 1 2.120 0.01 . 2 . . . . . . . . 5701 1 1677 . 1 1 157 157 GLN HG2 H 1 2.238 0.01 . 2 . . . . . . . . 5701 1 1678 . 1 1 157 157 GLN C C 13 177.832 0.1 . 1 . . . . . . . . 5701 1 1679 . 1 1 158 158 LEU N N 15 120.000 0.1 . 1 . . . . . . . . 5701 1 1680 . 1 1 158 158 LEU H H 1 7.596 0.01 . 1 . . . . . . . . 5701 1 1681 . 1 1 158 158 LEU CA C 13 59.058 0.1 . 1 . . . . . . . . 5701 1 1682 . 1 1 158 158 LEU HA H 1 4.107 0.01 . 1 . . . . . . . . 5701 1 1683 . 1 1 158 158 LEU CB C 13 42.484 0.1 . 1 . . . . . . . . 5701 1 1684 . 1 1 158 158 LEU HB2 H 1 1.755 0.01 . 2 . . . . . . . . 5701 1 1685 . 1 1 158 158 LEU CG C 13 27.846 0.1 . 1 . . . . . . . . 5701 1 1686 . 1 1 158 158 LEU HG H 1 2.127 0.01 . 1 . . . . . . . . 5701 1 1687 . 1 1 158 158 LEU CD1 C 13 25.349 0.1 . 1 . . . . . . . . 5701 1 1688 . 1 1 158 158 LEU HD11 H 1 0.970 0.01 . 2 . . . . . . . . 5701 1 1689 . 1 1 158 158 LEU HD12 H 1 0.970 0.01 . 2 . . . . . . . . 5701 1 1690 . 1 1 158 158 LEU HD13 H 1 0.970 0.01 . 2 . . . . . . . . 5701 1 1691 . 1 1 158 158 LEU CD2 C 13 23.318 0.1 . 1 . . . . . . . . 5701 1 1692 . 1 1 158 158 LEU HD21 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 1693 . 1 1 158 158 LEU HD22 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 1694 . 1 1 158 158 LEU HD23 H 1 0.900 0.01 . 2 . . . . . . . . 5701 1 1695 . 1 1 158 158 LEU C C 13 179.630 0.1 . 1 . . . . . . . . 5701 1 1696 . 1 1 159 159 THR N N 15 117.981 0.1 . 1 . . . . . . . . 5701 1 1697 . 1 1 159 159 THR H H 1 8.312 0.01 . 1 . . . . . . . . 5701 1 1698 . 1 1 159 159 THR CA C 13 67.722 0.1 . 1 . . . . . . . . 5701 1 1699 . 1 1 159 159 THR HA H 1 3.907 0.01 . 1 . . . . . . . . 5701 1 1700 . 1 1 159 159 THR CB C 13 69.463 0.1 . 1 . . . . . . . . 5701 1 1701 . 1 1 159 159 THR HB H 1 4.540 0.01 . 1 . . . . . . . . 5701 1 1702 . 1 1 159 159 THR CG2 C 13 22.170 0.1 . 1 . . . . . . . . 5701 1 1703 . 1 1 159 159 THR HG21 H 1 1.303 0.01 . 1 . . . . . . . . 5701 1 1704 . 1 1 159 159 THR HG22 H 1 1.303 0.01 . 1 . . . . . . . . 5701 1 1705 . 1 1 159 159 THR HG23 H 1 1.303 0.01 . 1 . . . . . . . . 5701 1 1706 . 1 1 159 159 THR C C 13 177.689 0.1 . 1 . . . . . . . . 5701 1 1707 . 1 1 160 160 ILE N N 15 118.160 0.1 . 1 . . . . . . . . 5701 1 1708 . 1 1 160 160 ILE H H 1 8.305 0.01 . 1 . . . . . . . . 5701 1 1709 . 1 1 160 160 ILE CA C 13 66.449 0.1 . 1 . . . . . . . . 5701 1 1710 . 1 1 160 160 ILE HA H 1 3.510 0.01 . 1 . . . . . . . . 5701 1 1711 . 1 1 160 160 ILE CB C 13 38.085 0.1 . 1 . . . . . . . . 5701 1 1712 . 1 1 160 160 ILE HB H 1 1.710 0.01 . 1 . . . . . . . . 5701 1 1713 . 1 1 160 160 ILE CG1 C 13 29.234 0.1 . 2 . . . . . . . . 5701 1 1714 . 1 1 160 160 ILE CD1 C 13 13.808 0.1 . 1 . . . . . . . . 5701 1 1715 . 1 1 160 160 ILE HD11 H 1 0.300 0.01 . 1 . . . . . . . . 5701 1 1716 . 1 1 160 160 ILE HD12 H 1 0.300 0.01 . 1 . . . . . . . . 5701 1 1717 . 1 1 160 160 ILE HD13 H 1 0.300 0.01 . 1 . . . . . . . . 5701 1 1718 . 1 1 160 160 ILE CG2 C 13 18.215 0.1 . 1 . . . . . . . . 5701 1 1719 . 1 1 160 160 ILE HG21 H 1 0.825 0.01 . 1 . . . . . . . . 5701 1 1720 . 1 1 160 160 ILE HG22 H 1 0.825 0.01 . 1 . . . . . . . . 5701 1 1721 . 1 1 160 160 ILE HG23 H 1 0.825 0.01 . 1 . . . . . . . . 5701 1 1722 . 1 1 160 160 ILE HG12 H 1 1.254 0.01 . 1 . . . . . . . . 5701 1 1723 . 1 1 160 160 ILE C C 13 178.089 0.1 . 1 . . . . . . . . 5701 1 1724 . 1 1 161 161 GLU N N 15 121.623 0.1 . 1 . . . . . . . . 5701 1 1725 . 1 1 161 161 GLU H H 1 8.777 0.01 . 1 . . . . . . . . 5701 1 1726 . 1 1 161 161 GLU CA C 13 60.587 0.1 . 1 . . . . . . . . 5701 1 1727 . 1 1 161 161 GLU HA H 1 3.901 0.01 . 1 . . . . . . . . 5701 1 1728 . 1 1 161 161 GLU CB C 13 30.515 0.1 . 1 . . . . . . . . 5701 1 1729 . 1 1 161 161 GLU HB3 H 1 1.959 0.01 . 2 . . . . . . . . 5701 1 1730 . 1 1 161 161 GLU HB2 H 1 2.150 0.01 . 2 . . . . . . . . 5701 1 1731 . 1 1 161 161 GLU CG C 13 37.735 0.1 . 1 . . . . . . . . 5701 1 1732 . 1 1 161 161 GLU HG3 H 1 2.367 0.01 . 2 . . . . . . . . 5701 1 1733 . 1 1 161 161 GLU HG2 H 1 2.404 0.01 . 2 . . . . . . . . 5701 1 1734 . 1 1 161 161 GLU C C 13 179.727 0.1 . 1 . . . . . . . . 5701 1 1735 . 1 1 162 162 ASN N N 15 118.311 0.1 . 1 . . . . . . . . 5701 1 1736 . 1 1 162 162 ASN H H 1 8.586 0.01 . 1 . . . . . . . . 5701 1 1737 . 1 1 162 162 ASN CA C 13 57.108 0.1 . 1 . . . . . . . . 5701 1 1738 . 1 1 162 162 ASN HA H 1 4.528 0.01 . 1 . . . . . . . . 5701 1 1739 . 1 1 162 162 ASN CB C 13 38.949 0.1 . 1 . . . . . . . . 5701 1 1740 . 1 1 162 162 ASN HB3 H 1 2.827 0.01 . 2 . . . . . . . . 5701 1 1741 . 1 1 162 162 ASN HB2 H 1 3.055 0.01 . 2 . . . . . . . . 5701 1 1742 . 1 1 162 162 ASN C C 13 179.509 0.1 . 1 . . . . . . . . 5701 1 1743 . 1 1 163 163 ILE N N 15 122.730 0.1 . 1 . . . . . . . . 5701 1 1744 . 1 1 163 163 ILE H H 1 7.822 0.01 . 1 . . . . . . . . 5701 1 1745 . 1 1 163 163 ILE CA C 13 66.823 0.1 . 1 . . . . . . . . 5701 1 1746 . 1 1 163 163 ILE HA H 1 3.830 0.01 . 1 . . . . . . . . 5701 1 1747 . 1 1 163 163 ILE CB C 13 39.013 0.1 . 1 . . . . . . . . 5701 1 1748 . 1 1 163 163 ILE HB H 1 2.109 0.01 . 1 . . . . . . . . 5701 1 1749 . 1 1 163 163 ILE CG1 C 13 30.342 0.1 . 2 . . . . . . . . 5701 1 1750 . 1 1 163 163 ILE HG13 H 1 1.187 0.01 . 1 . . . . . . . . 5701 1 1751 . 1 1 163 163 ILE HG12 H 1 1.256 0.01 . 1 . . . . . . . . 5701 1 1752 . 1 1 163 163 ILE CD1 C 13 14.873 0.1 . 1 . . . . . . . . 5701 1 1753 . 1 1 163 163 ILE HD11 H 1 0.700 0.01 . 1 . . . . . . . . 5701 1 1754 . 1 1 163 163 ILE HD12 H 1 0.700 0.01 . 1 . . . . . . . . 5701 1 1755 . 1 1 163 163 ILE HD13 H 1 0.700 0.01 . 1 . . . . . . . . 5701 1 1756 . 1 1 163 163 ILE CG2 C 13 16.376 0.1 . 1 . . . . . . . . 5701 1 1757 . 1 1 163 163 ILE HG21 H 1 0.842 0.01 . 1 . . . . . . . . 5701 1 1758 . 1 1 163 163 ILE HG22 H 1 0.842 0.01 . 1 . . . . . . . . 5701 1 1759 . 1 1 163 163 ILE HG23 H 1 0.842 0.01 . 1 . . . . . . . . 5701 1 1760 . 1 1 163 163 ILE C C 13 178.657 0.1 . 1 . . . . . . . . 5701 1 1761 . 1 1 164 164 ALA N N 15 121.931 0.1 . 1 . . . . . . . . 5701 1 1762 . 1 1 164 164 ALA H H 1 8.768 0.01 . 1 . . . . . . . . 5701 1 1763 . 1 1 164 164 ALA CA C 13 57.132 0.1 . 1 . . . . . . . . 5701 1 1764 . 1 1 164 164 ALA HA H 1 4.020 0.01 . 1 . . . . . . . . 5701 1 1765 . 1 1 164 164 ALA CB C 13 19.537 0.1 . 1 . . . . . . . . 5701 1 1766 . 1 1 164 164 ALA HB1 H 1 1.503 0.01 . 1 . . . . . . . . 5701 1 1767 . 1 1 164 164 ALA HB2 H 1 1.503 0.01 . 1 . . . . . . . . 5701 1 1768 . 1 1 164 164 ALA HB3 H 1 1.503 0.01 . 1 . . . . . . . . 5701 1 1769 . 1 1 164 164 ALA C C 13 180.489 0.1 . 1 . . . . . . . . 5701 1 1770 . 1 1 165 165 ASN N N 15 115.268 0.1 . 1 . . . . . . . . 5701 1 1771 . 1 1 165 165 ASN H H 1 8.573 0.01 . 1 . . . . . . . . 5701 1 1772 . 1 1 165 165 ASN CA C 13 54.741 0.1 . 1 . . . . . . . . 5701 1 1773 . 1 1 165 165 ASN HA H 1 4.433 0.01 . 1 . . . . . . . . 5701 1 1774 . 1 1 165 165 ASN CB C 13 39.222 0.1 . 1 . . . . . . . . 5701 1 1775 . 1 1 165 165 ASN HB3 H 1 2.793 0.01 . 2 . . . . . . . . 5701 1 1776 . 1 1 165 165 ASN HB2 H 1 2.923 0.01 . 2 . . . . . . . . 5701 1 1777 . 1 1 165 165 ASN C C 13 178.306 0.1 . 1 . . . . . . . . 5701 1 1778 . 1 1 166 166 LYS N N 15 120.718 0.1 . 1 . . . . . . . . 5701 1 1779 . 1 1 166 166 LYS H H 1 7.596 0.01 . 1 . . . . . . . . 5701 1 1780 . 1 1 166 166 LYS CA C 13 60.333 0.1 . 1 . . . . . . . . 5701 1 1781 . 1 1 166 166 LYS HA H 1 3.973 0.01 . 1 . . . . . . . . 5701 1 1782 . 1 1 166 166 LYS CB C 13 32.482 0.1 . 1 . . . . . . . . 5701 1 1783 . 1 1 166 166 LYS HB3 H 1 1.931 0.01 . 2 . . . . . . . . 5701 1 1784 . 1 1 166 166 LYS HB2 H 1 1.841 0.01 . 2 . . . . . . . . 5701 1 1785 . 1 1 166 166 LYS CG C 13 25.323 0.1 . 1 . . . . . . . . 5701 1 1786 . 1 1 166 166 LYS HG3 H 1 1.418 0.01 . 2 . . . . . . . . 5701 1 1787 . 1 1 166 166 LYS CD C 13 30.541 0.1 . 1 . . . . . . . . 5701 1 1788 . 1 1 166 166 LYS HD3 H 1 1.582 0.01 . 2 . . . . . . . . 5701 1 1789 . 1 1 166 166 LYS CE C 13 42.742 0.1 . 1 . . . . . . . . 5701 1 1790 . 1 1 166 166 LYS HE2 H 1 2.707 0.01 . 2 . . . . . . . . 5701 1 1791 . 1 1 166 166 LYS C C 13 179.141 0.1 . 1 . . . . . . . . 5701 1 1792 . 1 1 167 167 TYR N N 15 116.646 0.1 . 1 . . . . . . . . 5701 1 1793 . 1 1 167 167 TYR H H 1 7.438 0.01 . 1 . . . . . . . . 5701 1 1794 . 1 1 167 167 TYR CA C 13 62.079 0.1 . 1 . . . . . . . . 5701 1 1795 . 1 1 167 167 TYR HA H 1 4.234 0.01 . 1 . . . . . . . . 5701 1 1796 . 1 1 167 167 TYR CB C 13 39.833 0.1 . 1 . . . . . . . . 5701 1 1797 . 1 1 167 167 TYR HB3 H 1 2.801 0.01 . 2 . . . . . . . . 5701 1 1798 . 1 1 167 167 TYR HB2 H 1 3.239 0.01 . 2 . . . . . . . . 5701 1 1799 . 1 1 167 167 TYR HE1 H 1 6.901 0.01 . 3 . . . . . . . . 5701 1 1800 . 1 1 167 167 TYR HE2 H 1 7.007 0.01 . 3 . . . . . . . . 5701 1 1801 . 1 1 167 167 TYR C C 13 178.061 0.1 . 1 . . . . . . . . 5701 1 1802 . 1 1 168 168 LEU N N 15 119.906 0.1 . 1 . . . . . . . . 5701 1 1803 . 1 1 168 168 LEU H H 1 8.160 0.01 . 1 . . . . . . . . 5701 1 1804 . 1 1 168 168 LEU CA C 13 57.428 0.1 . 1 . . . . . . . . 5701 1 1805 . 1 1 168 168 LEU HA H 1 4.094 0.01 . 1 . . . . . . . . 5701 1 1806 . 1 1 168 168 LEU CB C 13 43.543 0.1 . 1 . . . . . . . . 5701 1 1807 . 1 1 168 168 LEU HB3 H 1 1.594 0.01 . 2 . . . . . . . . 5701 1 1808 . 1 1 168 168 LEU HB2 H 1 1.786 0.01 . 2 . . . . . . . . 5701 1 1809 . 1 1 168 168 LEU CG C 13 26.856 0.1 . 1 . . . . . . . . 5701 1 1810 . 1 1 168 168 LEU HG H 1 1.518 0.01 . 1 . . . . . . . . 5701 1 1811 . 1 1 168 168 LEU CD1 C 13 26.303 0.1 . 1 . . . . . . . . 5701 1 1812 . 1 1 168 168 LEU HD11 H 1 0.673 0.01 . 2 . . . . . . . . 5701 1 1813 . 1 1 168 168 LEU HD12 H 1 0.673 0.01 . 2 . . . . . . . . 5701 1 1814 . 1 1 168 168 LEU HD13 H 1 0.673 0.01 . 2 . . . . . . . . 5701 1 1815 . 1 1 168 168 LEU CD2 C 13 23.420 0.1 . 1 . . . . . . . . 5701 1 1816 . 1 1 168 168 LEU HD21 H 1 0.897 0.01 . 2 . . . . . . . . 5701 1 1817 . 1 1 168 168 LEU HD22 H 1 0.897 0.01 . 2 . . . . . . . . 5701 1 1818 . 1 1 168 168 LEU HD23 H 1 0.897 0.01 . 2 . . . . . . . . 5701 1 1819 . 1 1 168 168 LEU C C 13 178.790 0.1 . 1 . . . . . . . . 5701 1 1820 . 1 1 169 169 GLN N N 15 117.760 0.1 . 1 . . . . . . . . 5701 1 1821 . 1 1 169 169 GLN H H 1 7.819 0.01 . 1 . . . . . . . . 5701 1 1822 . 1 1 169 169 GLN CA C 13 57.598 0.1 . 1 . . . . . . . . 5701 1 1823 . 1 1 169 169 GLN HA H 1 4.188 0.01 . 1 . . . . . . . . 5701 1 1824 . 1 1 169 169 GLN CB C 13 29.573 0.1 . 1 . . . . . . . . 5701 1 1825 . 1 1 169 169 GLN HB3 H 1 2.129 0.01 . 2 . . . . . . . . 5701 1 1826 . 1 1 169 169 GLN HB2 H 1 2.084 0.01 . 2 . . . . . . . . 5701 1 1827 . 1 1 169 169 GLN CG C 13 34.614 0.1 . 1 . . . . . . . . 5701 1 1828 . 1 1 169 169 GLN HG2 H 1 2.403 0.01 . 2 . . . . . . . . 5701 1 1829 . 1 1 169 169 GLN C C 13 176.981 0.1 . 1 . . . . . . . . 5701 1 1830 . 1 1 170 170 ASN N N 15 118.364 0.1 . 1 . . . . . . . . 5701 1 1831 . 1 1 170 170 ASN H H 1 7.959 0.01 . 1 . . . . . . . . 5701 1 1832 . 1 1 170 170 ASN CA C 13 54.394 0.1 . 1 . . . . . . . . 5701 1 1833 . 1 1 170 170 ASN HA H 1 4.736 0.01 . 1 . . . . . . . . 5701 1 1834 . 1 1 170 170 ASN CB C 13 39.430 0.1 . 1 . . . . . . . . 5701 1 1835 . 1 1 170 170 ASN HB3 H 1 2.748 0.01 . 2 . . . . . . . . 5701 1 1836 . 1 1 170 170 ASN HB2 H 1 2.904 0.01 . 2 . . . . . . . . 5701 1 1837 . 1 1 170 170 ASN ND2 N 15 113.137 0.1 . 1 . . . . . . . . 5701 1 1838 . 1 1 170 170 ASN HD21 H 1 6.884 0.01 . 2 . . . . . . . . 5701 1 1839 . 1 1 170 170 ASN HD22 H 1 7.594 0.01 . 2 . . . . . . . . 5701 1 1840 . 1 1 170 170 ASN C C 13 175.476 0.1 . 1 . . . . . . . . 5701 1 1841 . 1 1 171 171 ALA N N 15 124.828 0.1 . 1 . . . . . . . . 5701 1 1842 . 1 1 171 171 ALA H H 1 7.982 0.01 . 1 . . . . . . . . 5701 1 1843 . 1 1 171 171 ALA CA C 13 53.021 0.1 . 1 . . . . . . . . 5701 1 1844 . 1 1 171 171 ALA HA H 1 4.435 0.01 . 1 . . . . . . . . 5701 1 1845 . 1 1 171 171 ALA CB C 13 20.549 0.1 . 1 . . . . . . . . 5701 1 1846 . 1 1 171 171 ALA HB1 H 1 1.432 0.01 . 1 . . . . . . . . 5701 1 1847 . 1 1 171 171 ALA HB2 H 1 1.432 0.01 . 1 . . . . . . . . 5701 1 1848 . 1 1 171 171 ALA HB3 H 1 1.432 0.01 . 1 . . . . . . . . 5701 1 1849 . 1 1 171 171 ALA C C 13 177.029 0.1 . 1 . . . . . . . . 5701 1 1850 . 1 1 172 172 SER N N 15 121.408 0.1 . 1 . . . . . . . . 5701 1 1851 . 1 1 172 172 SER H H 1 7.882 0.01 . 1 . . . . . . . . 5701 1 1852 . 1 1 172 172 SER CA C 13 60.978 0.1 . 1 . . . . . . . . 5701 1 1853 . 1 1 172 172 SER HA H 1 4.271 0.01 . 1 . . . . . . . . 5701 1 1854 . 1 1 172 172 SER CB C 13 65.902 0.1 . 1 . . . . . . . . 5701 1 1855 . 1 1 172 172 SER HB3 H 1 3.863 0.01 . 2 . . . . . . . . 5701 1 1856 . 1 1 172 172 SER HB2 H 1 4.266 0.01 . 2 . . . . . . . . 5701 1 1857 . 1 1 172 172 SER C C 13 177.309 0.1 . 1 . . . . . . . . 5701 1 stop_ save_