data_6766 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6766 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Solution structure of pa0128' 'Structure analysis' ; Solution structure calculation of a hypothetical - phn-A like protein pa0128 from Pseudomonas aeruginosa ; 6766 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure of pa0128' 6766 1 . 'Two domain protein' 6766 1 . 'Zn binding protein' 6766 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6766 _Entry.Title ; Complete assignment of a hypothetical protein pa0128 form Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-09 _Entry.Accession_date 2005-08-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Sampath Srisailam . . . 6766 2 Adelinda Yee . . . 6766 3 Jonathan Lukin . . . 6766 4 Alexander Lemak . . . 6766 5 Sonal Bansal . . . 6766 6 Prestegard James . . . 6766 7 Cheryl Arrowsmith . . . 6766 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 6766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 6766 '15N chemical shifts' 120 6766 '1H chemical shifts' 796 6766 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2005-08-09 update BMRB 'complete entry citation' 6766 1 . . 2006-04-24 2005-08-09 original author 'original release' 6766 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AKL 'BMRB Entry Tracking System' 6766 stop_ save_ ############### # Citations # ############### save_pa0128_citation _Citation.Sf_category citations _Citation.Sf_framecode pa0128_citation _Citation.Entry_ID 6766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16703420 _Citation.Full_citation . _Citation.Title ; Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 27 _Citation.Page_last 27 _Citation.Year 2006 _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 Sampath Srisailam . . . 6766 1 2 Jonathan Lukin . A. . 6766 1 3 Alexander Lemak . . . 6766 1 4 Adelinda Yee . . . 6766 1 5 Cheryl Arrowsmith . H. . 6766 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'phn-A like protein' 6766 1 'Two domain protein' 6766 1 'Zn binding protein' 6766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6766 _Assembly.ID 1 _Assembly.Name pa0128 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; This hypothetical protein (pa0128) has two domains(N-ter and C-ter) connected with a flexible linker and Zn bound to N-terminal domain. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $pa0128 . . yes native no no . . . 6766 1 2 'Zn (II) ION' 2 $ZN . . no native no no . . . 6766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pa0128 _Entity.Sf_category entity _Entity.Sf_framecode pa0128 _Entity.Entry_ID 6766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'phn-a like hypothetical protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGRENLYFQ GHMVSTLPPCPQCNSEYTYE DGALLVCPECAHEWSPNEAA TASDDGKVIKDSVGNVLQDG DTITVIKDLKVKGSSLVVKV GTKVKNIRLVDGDHDIDCKI DGIGAMKLKSEFVRKVGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12407 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 2AKL . "Solution Structure For Phn-A Like Protein Pa0128 From Pseudomonas Aeruginosa" . . . . . 100.00 138 100.00 100.00 1.33e-95 . . . . 6766 1 2 no DBJ BAK87024 . "hypothetical protein NCGM2_0132 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 81.88 113 98.23 99.12 4.82e-73 . . . . 6766 1 3 no DBJ BAP19254 . "gamma-aminobutyrate permease [Pseudomonas aeruginosa]" . . . . . 81.88 113 98.23 99.12 4.82e-73 . . . . 6766 1 4 no DBJ BAP48132 . "gamma-aminobutyrate permease [Pseudomonas aeruginosa]" . . . . . 81.88 113 98.23 99.12 4.82e-73 . . . . 6766 1 5 no DBJ GAA19818 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa NCMG1179]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 6 no DBJ GAJ54686 . "alkylphosphonate utilization operon protein PhnA [Pseudomonas aeruginosa RB]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 7 no EMBL CAW24856 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa LESB58]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 8 no EMBL CCQ86833 . "Alkylphosphonate utilization operon protein PhnA [Pseudomonas aeruginosa 18A]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 9 no EMBL CDH68429 . "hypothetical protein P38_0094 [Pseudomonas aeruginosa MH38]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 10 no EMBL CDH74517 . "hypothetical protein PAMH27_0090 [Pseudomonas aeruginosa MH27]" . . . . . 81.88 113 98.23 99.12 4.82e-73 . . . . 6766 1 11 no EMBL CDI88258 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa PA38182]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 12 no GB AAG03518 . "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 13 no GB ABJ15085 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 14 no GB ABR86035 . "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 15 no GB AEO72619 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa M18]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 16 no GB AFM62426 . "phosphonoacetate hydrolase [Pseudomonas aeruginosa DK2]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 17 no REF NP_248818 . "hypothetical protein PA0128 [Pseudomonas aeruginosa PAO1]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 18 no REF WP_003083779 . "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa]" . . . . . 50.00 69 98.55 100.00 4.45e-36 . . . . 6766 1 19 no REF WP_003101229 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 81.88 113 99.12 100.00 3.30e-74 . . . . 6766 1 20 no REF WP_014603467 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 81.88 113 98.23 99.12 4.82e-73 . . . . 6766 1 21 no REF WP_023081666 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 81.88 113 98.23 100.00 1.39e-73 . . . . 6766 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 -22 MET . 6766 1 2 -21 GLY . 6766 1 3 -20 SER . 6766 1 4 -19 SER . 6766 1 5 -18 HIS . 6766 1 6 -17 HIS . 6766 1 7 -16 HIS . 6766 1 8 -15 HIS . 6766 1 9 -14 HIS . 6766 1 10 -13 HIS . 6766 1 11 -12 SER . 6766 1 12 -11 SER . 6766 1 13 -10 GLY . 6766 1 14 -9 ARG . 6766 1 15 -8 GLU . 6766 1 16 -7 ASN . 6766 1 17 -6 LEU . 6766 1 18 -5 TYR . 6766 1 19 -4 PHE . 6766 1 20 -3 GLN . 6766 1 21 -2 GLY . 6766 1 22 -1 HIS . 6766 1 23 1 MET . 6766 1 24 2 VAL . 6766 1 25 3 SER . 6766 1 26 4 THR . 6766 1 27 5 LEU . 6766 1 28 6 PRO . 6766 1 29 7 PRO . 6766 1 30 8 CYS . 6766 1 31 9 PRO . 6766 1 32 10 GLN . 6766 1 33 11 CYS . 6766 1 34 12 ASN . 6766 1 35 13 SER . 6766 1 36 14 GLU . 6766 1 37 15 TYR . 6766 1 38 16 THR . 6766 1 39 17 TYR . 6766 1 40 18 GLU . 6766 1 41 19 ASP . 6766 1 42 20 GLY . 6766 1 43 21 ALA . 6766 1 44 22 LEU . 6766 1 45 23 LEU . 6766 1 46 24 VAL . 6766 1 47 25 CYS . 6766 1 48 26 PRO . 6766 1 49 27 GLU . 6766 1 50 28 CYS . 6766 1 51 29 ALA . 6766 1 52 30 HIS . 6766 1 53 31 GLU . 6766 1 54 32 TRP . 6766 1 55 33 SER . 6766 1 56 34 PRO . 6766 1 57 35 ASN . 6766 1 58 36 GLU . 6766 1 59 37 ALA . 6766 1 60 38 ALA . 6766 1 61 39 THR . 6766 1 62 40 ALA . 6766 1 63 41 SER . 6766 1 64 42 ASP . 6766 1 65 43 ASP . 6766 1 66 44 GLY . 6766 1 67 45 LYS . 6766 1 68 46 VAL . 6766 1 69 47 ILE . 6766 1 70 48 LYS . 6766 1 71 49 ASP . 6766 1 72 50 SER . 6766 1 73 51 VAL . 6766 1 74 52 GLY . 6766 1 75 53 ASN . 6766 1 76 54 VAL . 6766 1 77 55 LEU . 6766 1 78 56 GLN . 6766 1 79 57 ASP . 6766 1 80 58 GLY . 6766 1 81 59 ASP . 6766 1 82 60 THR . 6766 1 83 61 ILE . 6766 1 84 62 THR . 6766 1 85 63 VAL . 6766 1 86 64 ILE . 6766 1 87 65 LYS . 6766 1 88 66 ASP . 6766 1 89 67 LEU . 6766 1 90 68 LYS . 6766 1 91 69 VAL . 6766 1 92 70 LYS . 6766 1 93 71 GLY . 6766 1 94 72 SER . 6766 1 95 73 SER . 6766 1 96 74 LEU . 6766 1 97 75 VAL . 6766 1 98 76 VAL . 6766 1 99 77 LYS . 6766 1 100 78 VAL . 6766 1 101 79 GLY . 6766 1 102 80 THR . 6766 1 103 81 LYS . 6766 1 104 82 VAL . 6766 1 105 83 LYS . 6766 1 106 84 ASN . 6766 1 107 85 ILE . 6766 1 108 86 ARG . 6766 1 109 87 LEU . 6766 1 110 88 VAL . 6766 1 111 89 ASP . 6766 1 112 90 GLY . 6766 1 113 91 ASP . 6766 1 114 92 HIS . 6766 1 115 93 ASP . 6766 1 116 94 ILE . 6766 1 117 95 ASP . 6766 1 118 96 CYS . 6766 1 119 97 LYS . 6766 1 120 98 ILE . 6766 1 121 99 ASP . 6766 1 122 100 GLY . 6766 1 123 101 ILE . 6766 1 124 102 GLY . 6766 1 125 103 ALA . 6766 1 126 104 MET . 6766 1 127 105 LYS . 6766 1 128 106 LEU . 6766 1 129 107 LYS . 6766 1 130 108 SER . 6766 1 131 109 GLU . 6766 1 132 110 PHE . 6766 1 133 111 VAL . 6766 1 134 112 ARG . 6766 1 135 113 LYS . 6766 1 136 114 VAL . 6766 1 137 115 GLY . 6766 1 138 116 SER . 6766 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6766 1 . GLY 2 2 6766 1 . SER 3 3 6766 1 . SER 4 4 6766 1 . HIS 5 5 6766 1 . HIS 6 6 6766 1 . HIS 7 7 6766 1 . HIS 8 8 6766 1 . HIS 9 9 6766 1 . HIS 10 10 6766 1 . SER 11 11 6766 1 . SER 12 12 6766 1 . GLY 13 13 6766 1 . ARG 14 14 6766 1 . GLU 15 15 6766 1 . ASN 16 16 6766 1 . LEU 17 17 6766 1 . TYR 18 18 6766 1 . PHE 19 19 6766 1 . GLN 20 20 6766 1 . GLY 21 21 6766 1 . HIS 22 22 6766 1 . MET 23 23 6766 1 . VAL 24 24 6766 1 . SER 25 25 6766 1 . THR 26 26 6766 1 . LEU 27 27 6766 1 . PRO 28 28 6766 1 . PRO 29 29 6766 1 . CYS 30 30 6766 1 . PRO 31 31 6766 1 . GLN 32 32 6766 1 . CYS 33 33 6766 1 . ASN 34 34 6766 1 . SER 35 35 6766 1 . GLU 36 36 6766 1 . TYR 37 37 6766 1 . THR 38 38 6766 1 . TYR 39 39 6766 1 . GLU 40 40 6766 1 . ASP 41 41 6766 1 . GLY 42 42 6766 1 . ALA 43 43 6766 1 . LEU 44 44 6766 1 . LEU 45 45 6766 1 . VAL 46 46 6766 1 . CYS 47 47 6766 1 . PRO 48 48 6766 1 . GLU 49 49 6766 1 . CYS 50 50 6766 1 . ALA 51 51 6766 1 . HIS 52 52 6766 1 . GLU 53 53 6766 1 . TRP 54 54 6766 1 . SER 55 55 6766 1 . PRO 56 56 6766 1 . ASN 57 57 6766 1 . GLU 58 58 6766 1 . ALA 59 59 6766 1 . ALA 60 60 6766 1 . THR 61 61 6766 1 . ALA 62 62 6766 1 . SER 63 63 6766 1 . ASP 64 64 6766 1 . ASP 65 65 6766 1 . GLY 66 66 6766 1 . LYS 67 67 6766 1 . VAL 68 68 6766 1 . ILE 69 69 6766 1 . LYS 70 70 6766 1 . ASP 71 71 6766 1 . SER 72 72 6766 1 . VAL 73 73 6766 1 . GLY 74 74 6766 1 . ASN 75 75 6766 1 . VAL 76 76 6766 1 . LEU 77 77 6766 1 . GLN 78 78 6766 1 . ASP 79 79 6766 1 . GLY 80 80 6766 1 . ASP 81 81 6766 1 . THR 82 82 6766 1 . ILE 83 83 6766 1 . THR 84 84 6766 1 . VAL 85 85 6766 1 . ILE 86 86 6766 1 . LYS 87 87 6766 1 . ASP 88 88 6766 1 . LEU 89 89 6766 1 . LYS 90 90 6766 1 . VAL 91 91 6766 1 . LYS 92 92 6766 1 . GLY 93 93 6766 1 . SER 94 94 6766 1 . SER 95 95 6766 1 . LEU 96 96 6766 1 . VAL 97 97 6766 1 . VAL 98 98 6766 1 . LYS 99 99 6766 1 . VAL 100 100 6766 1 . GLY 101 101 6766 1 . THR 102 102 6766 1 . LYS 103 103 6766 1 . VAL 104 104 6766 1 . LYS 105 105 6766 1 . ASN 106 106 6766 1 . ILE 107 107 6766 1 . ARG 108 108 6766 1 . LEU 109 109 6766 1 . VAL 110 110 6766 1 . ASP 111 111 6766 1 . GLY 112 112 6766 1 . ASP 113 113 6766 1 . HIS 114 114 6766 1 . ASP 115 115 6766 1 . ILE 116 116 6766 1 . ASP 117 117 6766 1 . CYS 118 118 6766 1 . LYS 119 119 6766 1 . ILE 120 120 6766 1 . ASP 121 121 6766 1 . GLY 122 122 6766 1 . ILE 123 123 6766 1 . GLY 124 124 6766 1 . ALA 125 125 6766 1 . MET 126 126 6766 1 . LYS 127 127 6766 1 . LEU 128 128 6766 1 . LYS 129 129 6766 1 . SER 130 130 6766 1 . GLU 131 131 6766 1 . PHE 132 132 6766 1 . VAL 133 133 6766 1 . ARG 134 134 6766 1 . LYS 135 135 6766 1 . VAL 136 136 6766 1 . GLY 137 137 6766 1 . SER 138 138 6766 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6766 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 6766 2 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 6766 _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 $pa0128 . 287 organism no . Bacteria . . Eukaryota Metazoa Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 6766 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 6766 _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 $pa0128 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6766 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6766 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6766 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6766 ZN [Zn++] SMILES CACTVS 3.341 6766 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6766 ZN [Zn+2] SMILES ACDLabs 10.04 6766 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6766 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6766 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6766 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6766 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6766 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6766 _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 'hypothetical protein pa0128' '[U-15N; U-13C]' . . 1 $pa0128 . protein 1 . . mM 0.2 . . . 6766 1 2 'sodium phosphates' . . . . . . buffer 20 . . mM 0.2 . . . 6766 1 3 NaCl . . . . . . salt 400 . . mM 0.2 . . . 6766 1 4 DTT . . . . . . 'reducing agent' 15 . . mM 0.2 . . . 6766 1 5 Benzamidine . . . . . . additive 1 . . mM 0.2 . . . 6766 1 6 'Sodium Azide' . . . . . . 'microbial agent' 0.01 . . % 0.01 . . . 6766 1 7 'Zinc Sulfate' . . . . . . ligand 20 . . uM 0.1 . . . 6766 1 8 D2O . . . . . . solvent 5 . . % 0.1 . . . 6766 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6766 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.4 0.005 M 6766 1 pH 6.5 0.2 pH 6766 1 temperature 298 0.1 K 6766 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6766 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.95 _Software.Details 'For Analysis and Assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6766 _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 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 2 'Aromatic 13C-Noesy' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 3 CBCAcoNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 5 HNCB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 6 HNcoCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 7 HBHAcoNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 8 CCTOCSY_NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 9 HCCTOCSY_NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 10 '13C HSQ' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 11 HCCHCOSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 12 '15N NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 13 '13C NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 14 'hcbcaconh PRO expt' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 15 'hcangp3d PRO expt' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6766 1 stop_ save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 1 _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_Aromatic_13C-Noesy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode Aromatic_13C-Noesy _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'Aromatic 13C-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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCAcoNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCAcoNH _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 4 _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCB _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCB _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNcoCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNcoCA _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 6 _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHAcoNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHAcoNH _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHAcoNH _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCTOCSY_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCTOCSY_NH _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'CCTOCSY NH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCTOCSY_NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCTOCSY_NH _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HCCTOCSY NH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_HSQ _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_HSQ _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C HSQ' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCHCOSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCHCOSY _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCHCOSY _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_hcbcaconh_PRO_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode hcbcaconh_PRO_expt _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 'hcbcaconh PRO expt' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_hcangp3d_PRO_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode hcangp3d_PRO_expt _NMR_spec_expt.Entry_ID 6766 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name 'hcangp3d PRO expt' _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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $software_1 _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $pa0128_citation . . 1 $pa0128_citation 6766 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $pa0128_citation . . 1 $pa0128_citation 6766 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $pa0128_citation . . 1 $pa0128_citation 6766 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6766 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6766 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 23 23 MET H H 1 8.473 0.02 . 1 . . . . 1 MET H . 6766 1 2 . 1 1 23 23 MET HA H 1 4.493 0.02 . 1 . . . . 1 MET HA . 6766 1 3 . 1 1 23 23 MET HB2 H 1 1.925 0.02 . 1 . . . . 1 MET HB2 . 6766 1 4 . 1 1 23 23 MET HB3 H 1 2.015 0.02 . 1 . . . . 1 MET HB3 . 6766 1 5 . 1 1 23 23 MET HG2 H 1 2.432 0.02 . 1 . . . . 1 MET HG2 . 6766 1 6 . 1 1 23 23 MET HG3 H 1 2.432 0.02 . 1 . . . . 1 MET HG3 . 6766 1 7 . 1 1 23 23 MET HE1 H 1 0.884 0.02 . 1 . . . . 1 MET HE . 6766 1 8 . 1 1 23 23 MET HE2 H 1 0.884 0.02 . 1 . . . . 1 MET HE . 6766 1 9 . 1 1 23 23 MET HE3 H 1 0.884 0.02 . 1 . . . . 1 MET HE . 6766 1 10 . 1 1 23 23 MET C C 13 175.93 0.4 . 1 . . . . 1 MET C . 6766 1 11 . 1 1 23 23 MET CA C 13 55.290 0.4 . 1 . . . . 1 MET CA . 6766 1 12 . 1 1 23 23 MET CB C 13 33.028 0.4 . 1 . . . . 1 MET CB . 6766 1 13 . 1 1 23 23 MET CG C 13 31.984 0.4 . 1 . . . . 1 MET CG . 6766 1 14 . 1 1 23 23 MET N N 15 122.174 0.4 . 1 . . . . 1 MET N . 6766 1 15 . 1 1 24 24 VAL H H 1 8.254 0.02 . 1 . . . . 2 VAL H . 6766 1 16 . 1 1 24 24 VAL HA H 1 4.138 0.02 . 1 . . . . 2 VAL HA . 6766 1 17 . 1 1 24 24 VAL HB H 1 2.054 0.02 . 1 . . . . 2 VAL HB . 6766 1 18 . 1 1 24 24 VAL HG11 H 1 0.912 0.02 . 1 . . . . 2 VAL HG1 . 6766 1 19 . 1 1 24 24 VAL HG12 H 1 0.912 0.02 . 1 . . . . 2 VAL HG1 . 6766 1 20 . 1 1 24 24 VAL HG13 H 1 0.912 0.02 . 1 . . . . 2 VAL HG1 . 6766 1 21 . 1 1 24 24 VAL HG21 H 1 0.912 0.02 . 1 . . . . 2 VAL HG2 . 6766 1 22 . 1 1 24 24 VAL HG22 H 1 0.912 0.02 . 1 . . . . 2 VAL HG2 . 6766 1 23 . 1 1 24 24 VAL HG23 H 1 0.912 0.02 . 1 . . . . 2 VAL HG2 . 6766 1 24 . 1 1 24 24 VAL C C 13 175.85 0.4 . 1 . . . . 2 VAL C . 6766 1 25 . 1 1 24 24 VAL CA C 13 62.052 0.4 . 1 . . . . 2 VAL CA . 6766 1 26 . 1 1 24 24 VAL CB C 13 32.942 0.4 . 1 . . . . 2 VAL CB . 6766 1 27 . 1 1 24 24 VAL CG1 C 13 21.384 0.4 . 1 . . . . 2 VAL CG1 . 6766 1 28 . 1 1 24 24 VAL CG2 C 13 21.384 0.4 . 1 . . . . 2 VAL CG2 . 6766 1 29 . 1 1 24 24 VAL N N 15 121.656 0.4 . 1 . . . . 2 VAL N . 6766 1 30 . 1 1 25 25 SER H H 1 8.520 0.02 . 1 . . . . 3 SER H . 6766 1 31 . 1 1 25 25 SER HA H 1 4.633 0.02 . 1 . . . . 3 SER HA . 6766 1 32 . 1 1 25 25 SER HB2 H 1 3.876 0.02 . 1 . . . . 3 SER HB2 . 6766 1 33 . 1 1 25 25 SER HB3 H 1 3.916 0.02 . 1 . . . . 3 SER HB3 . 6766 1 34 . 1 1 25 25 SER C C 13 174.84 0.4 . 1 . . . . 3 SER C . 6766 1 35 . 1 1 25 25 SER CA C 13 57.452 0.4 . 1 . . . . 3 SER CA . 6766 1 36 . 1 1 25 25 SER CB C 13 64.120 0.4 . 1 . . . . 3 SER CB . 6766 1 37 . 1 1 25 25 SER N N 15 119.648 0.4 . 1 . . . . 3 SER N . 6766 1 38 . 1 1 26 26 THR H H 1 8.262 0.02 . 1 . . . . 4 THR H . 6766 1 39 . 1 1 26 26 THR HA H 1 4.385 0.02 . 1 . . . . 4 THR HA . 6766 1 40 . 1 1 26 26 THR HB H 1 4.315 0.02 . 1 . . . . 4 THR HB . 6766 1 41 . 1 1 26 26 THR HG21 H 1 1.182 0.02 . 1 . . . . 4 THR HG2 . 6766 1 42 . 1 1 26 26 THR HG22 H 1 1.182 0.02 . 1 . . . . 4 THR HG2 . 6766 1 43 . 1 1 26 26 THR HG23 H 1 1.182 0.02 . 1 . . . . 4 THR HG2 . 6766 1 44 . 1 1 26 26 THR C C 13 174.55 0.4 . 1 . . . . 4 THR C . 6766 1 45 . 1 1 26 26 THR CA C 13 61.327 0.4 . 1 . . . . 4 THR CA . 6766 1 46 . 1 1 26 26 THR CB C 13 69.348 0.4 . 1 . . . . 4 THR CB . 6766 1 47 . 1 1 26 26 THR CG2 C 13 21.758 0.4 . 1 . . . . 4 THR CG2 . 6766 1 48 . 1 1 26 26 THR N N 15 115.024 0.4 . 1 . . . . 4 THR N . 6766 1 49 . 1 1 27 27 LEU H H 1 8.197 0.02 . 1 . . . . 5 LEU H . 6766 1 50 . 1 1 27 27 LEU HA H 1 4.527 0.02 . 1 . . . . 5 LEU HA . 6766 1 51 . 1 1 27 27 LEU HB2 H 1 1.205 0.02 . 1 . . . . 5 LEU HB2 . 6766 1 52 . 1 1 27 27 LEU HB3 H 1 1.542 0.02 . 1 . . . . 5 LEU HB3 . 6766 1 53 . 1 1 27 27 LEU HG H 1 1.649 0.02 . 1 . . . . 5 LEU HG . 6766 1 54 . 1 1 27 27 LEU HD11 H 1 0.788 0.02 . 1 . . . . 5 LEU HD1 . 6766 1 55 . 1 1 27 27 LEU HD12 H 1 0.788 0.02 . 1 . . . . 5 LEU HD1 . 6766 1 56 . 1 1 27 27 LEU HD13 H 1 0.788 0.02 . 1 . . . . 5 LEU HD1 . 6766 1 57 . 1 1 27 27 LEU HD21 H 1 0.847 0.02 . 1 . . . . 5 LEU HD2 . 6766 1 58 . 1 1 27 27 LEU HD22 H 1 0.847 0.02 . 1 . . . . 5 LEU HD2 . 6766 1 59 . 1 1 27 27 LEU HD23 H 1 0.847 0.02 . 1 . . . . 5 LEU HD2 . 6766 1 60 . 1 1 27 27 LEU C C 13 173.81 0.4 . 1 . . . . 5 LEU C . 6766 1 61 . 1 1 27 27 LEU CA C 13 52.991 0.4 . 1 . . . . 5 LEU CA . 6766 1 62 . 1 1 27 27 LEU CB C 13 40.736 0.4 . 1 . . . . 5 LEU CB . 6766 1 63 . 1 1 27 27 LEU CG C 13 27.282 0.4 . 1 . . . . 5 LEU CG . 6766 1 64 . 1 1 27 27 LEU CD1 C 13 22.686 0.4 . 1 . . . . 5 LEU CD1 . 6766 1 65 . 1 1 27 27 LEU CD2 C 13 26.258 0.4 . 1 . . . . 5 LEU CD2 . 6766 1 66 . 1 1 27 27 LEU N N 15 125.937 0.4 . 1 . . . . 5 LEU N . 6766 1 67 . 1 1 28 28 PRO HA H 1 4.674 0.02 . 1 . . . . 6 PRO HA . 6766 1 68 . 1 1 28 28 PRO HB2 H 1 2.103 0.02 . 1 . . . . 6 PRO HB2 . 6766 1 69 . 1 1 28 28 PRO HB3 H 1 2.433 0.02 . 1 . . . . 6 PRO HB3 . 6766 1 70 . 1 1 28 28 PRO HG2 H 1 2.186 0.02 . 1 . . . . 6 PRO HG2 . 6766 1 71 . 1 1 28 28 PRO HG3 H 1 2.130 0.02 . 1 . . . . 6 PRO HG3 . 6766 1 72 . 1 1 28 28 PRO HD2 H 1 3.439 0.02 . 1 . . . . 6 PRO HD2 . 6766 1 73 . 1 1 28 28 PRO HD3 H 1 3.773 0.02 . 1 . . . . 6 PRO HD3 . 6766 1 74 . 1 1 28 28 PRO CA C 13 61.471 0.4 . 1 . . . . 6 PRO CA . 6766 1 75 . 1 1 28 28 PRO CB C 13 31.299 0.4 . 1 . . . . 6 PRO CB . 6766 1 76 . 1 1 28 28 PRO CG C 13 27.889 0.4 . 1 . . . . 6 PRO CG . 6766 1 77 . 1 1 28 28 PRO CD C 13 50.284 0.4 . 1 . . . . 6 PRO CD . 6766 1 78 . 1 1 28 28 PRO N N 15 136.74 0.4 . 1 . . . . 6 PRO N . 6766 1 79 . 1 1 29 29 PRO HA H 1 4.750 0.02 . 1 . . . . 7 PRO HA . 6766 1 80 . 1 1 29 29 PRO HB2 H 1 1.525 0.02 . 1 . . . . 7 PRO HB2 . 6766 1 81 . 1 1 29 29 PRO HB3 H 1 1.940 0.02 . 1 . . . . 7 PRO HB3 . 6766 1 82 . 1 1 29 29 PRO HG2 H 1 1.835 0.02 . 1 . . . . 7 PRO HG2 . 6766 1 83 . 1 1 29 29 PRO HG3 H 1 1.891 0.02 . 1 . . . . 7 PRO HG3 . 6766 1 84 . 1 1 29 29 PRO HD2 H 1 3.581 0.02 . 1 . . . . 7 PRO HD2 . 6766 1 85 . 1 1 29 29 PRO HD3 H 1 3.724 0.02 . 1 . . . . 7 PRO HD3 . 6766 1 86 . 1 1 29 29 PRO C C 13 173.73 0.4 . 1 . . . . 7 PRO C . 6766 1 87 . 1 1 29 29 PRO CA C 13 61.331 0.4 . 1 . . . . 7 PRO CA . 6766 1 88 . 1 1 29 29 PRO CB C 13 33.033 0.4 . 1 . . . . 7 PRO CB . 6766 1 89 . 1 1 29 29 PRO CG C 13 27.102 0.4 . 1 . . . . 7 PRO CG . 6766 1 90 . 1 1 29 29 PRO CD C 13 50.245 0.4 . 1 . . . . 7 PRO CD . 6766 1 91 . 1 1 29 29 PRO N N 15 132.53 0.4 . 1 . . . . 7 PRO N . 6766 1 92 . 1 1 30 30 CYS H H 1 8.564 0.02 . 1 . . . . 8 CYS H . 6766 1 93 . 1 1 30 30 CYS HA H 1 4.183 0.02 . 1 . . . . 8 CYS HA . 6766 1 94 . 1 1 30 30 CYS HB2 H 1 2.991 0.02 . 1 . . . . 8 CYS HB2 . 6766 1 95 . 1 1 30 30 CYS HB3 H 1 2.952 0.02 . 1 . . . . 8 CYS HB3 . 6766 1 96 . 1 1 30 30 CYS C C 13 177.07 0.4 . 1 . . . . 8 CYS C . 6766 1 97 . 1 1 30 30 CYS CA C 13 56.928 0.4 . 1 . . . . 8 CYS CA . 6766 1 98 . 1 1 30 30 CYS CB C 13 31.540 0.4 . 1 . . . . 8 CYS CB . 6766 1 99 . 1 1 30 30 CYS N N 15 122.924 0.4 . 1 . . . . 8 CYS N . 6766 1 100 . 1 1 31 31 PRO HA H 1 4.110 0.02 . 1 . . . . 9 PRO HA . 6766 1 101 . 1 1 31 31 PRO HB2 H 1 1.549 0.02 . 1 . . . . 9 PRO HB2 . 6766 1 102 . 1 1 31 31 PRO HB3 H 1 1.930 0.02 . 1 . . . . 9 PRO HB3 . 6766 1 103 . 1 1 31 31 PRO HG2 H 1 0.925 0.02 . 1 . . . . 9 PRO HG2 . 6766 1 104 . 1 1 31 31 PRO HG3 H 1 0.988 0.02 . 1 . . . . 9 PRO HG3 . 6766 1 105 . 1 1 31 31 PRO HD2 H 1 2.087 0.02 . 1 . . . . 9 PRO HD2 . 6766 1 106 . 1 1 31 31 PRO HD3 H 1 2.619 0.02 . 1 . . . . 9 PRO HD3 . 6766 1 107 . 1 1 31 31 PRO C C 13 176.60 0.4 . 1 . . . . 9 PRO C . 6766 1 108 . 1 1 31 31 PRO CA C 13 63.231 0.4 . 1 . . . . 9 PRO CA . 6766 1 109 . 1 1 31 31 PRO CB C 13 32.077 0.4 . 1 . . . . 9 PRO CB . 6766 1 110 . 1 1 31 31 PRO CG C 13 26.135 0.4 . 1 . . . . 9 PRO CG . 6766 1 111 . 1 1 31 31 PRO CD C 13 49.831 0.4 . 1 . . . . 9 PRO CD . 6766 1 112 . 1 1 32 32 GLN H H 1 8.943 0.02 . 1 . . . . 10 GLN H . 6766 1 113 . 1 1 32 32 GLN HA H 1 4.075 0.02 . 1 . . . . 10 GLN HA . 6766 1 114 . 1 1 32 32 GLN HB2 H 1 1.346 0.02 . 1 . . . . 10 GLN HB2 . 6766 1 115 . 1 1 32 32 GLN HB3 H 1 1.854 0.02 . 1 . . . . 10 GLN HB3 . 6766 1 116 . 1 1 32 32 GLN HG2 H 1 1.437 0.02 . 1 . . . . 10 GLN HG2 . 6766 1 117 . 1 1 32 32 GLN HG3 H 1 1.561 0.02 . 1 . . . . 10 GLN HG3 . 6766 1 118 . 1 1 32 32 GLN HE21 H 1 6.713 0.02 . 1 . . . . 10 GLN HE21 . 6766 1 119 . 1 1 32 32 GLN HE22 H 1 7.192 0.02 . 1 . . . . 10 GLN HE22 . 6766 1 120 . 1 1 32 32 GLN C C 13 176.81 0.4 . 1 . . . . 10 GLN C . 6766 1 121 . 1 1 32 32 GLN CA C 13 57.208 0.4 . 1 . . . . 10 GLN CA . 6766 1 122 . 1 1 32 32 GLN CB C 13 30.041 0.4 . 1 . . . . 10 GLN CB . 6766 1 123 . 1 1 32 32 GLN CG C 13 33.340 0.4 . 1 . . . . 10 GLN CG . 6766 1 124 . 1 1 32 32 GLN N N 15 121.326 0.4 . 1 . . . . 10 GLN N . 6766 1 125 . 1 1 32 32 GLN NE2 N 15 111.866 0.4 . 1 . . . . 10 GLN NE2 . 6766 1 126 . 1 1 33 33 CYS H H 1 9.069 0.02 . 1 . . . . 11 CYS H . 6766 1 127 . 1 1 33 33 CYS HA H 1 4.912 0.02 . 1 . . . . 11 CYS HA . 6766 1 128 . 1 1 33 33 CYS HB2 H 1 2.480 0.02 . 1 . . . . 11 CYS HB2 . 6766 1 129 . 1 1 33 33 CYS HB3 H 1 3.178 0.02 . 1 . . . . 11 CYS HB3 . 6766 1 130 . 1 1 33 33 CYS C C 13 176.6 0.4 . 1 . . . . 11 CYS C . 6766 1 131 . 1 1 33 33 CYS CA C 13 58.521 0.4 . 1 . . . . 11 CYS CA . 6766 1 132 . 1 1 33 33 CYS CB C 13 32.544 0.4 . 1 . . . . 11 CYS CB . 6766 1 133 . 1 1 33 33 CYS N N 15 120.973 0.4 . 1 . . . . 11 CYS N . 6766 1 134 . 1 1 34 34 ASN H H 1 7.959 0.02 . 1 . . . . 12 ASN H . 6766 1 135 . 1 1 34 34 ASN HA H 1 4.499 0.02 . 1 . . . . 12 ASN HA . 6766 1 136 . 1 1 34 34 ASN HB2 H 1 2.873 0.02 . 1 . . . . 12 ASN HB2 . 6766 1 137 . 1 1 34 34 ASN HB3 H 1 3.050 0.02 . 1 . . . . 12 ASN HB3 . 6766 1 138 . 1 1 34 34 ASN HD21 H 1 6.673 0.02 . 1 . . . . 12 ASN HD21 . 6766 1 139 . 1 1 34 34 ASN HD22 H 1 7.434 0.02 . 1 . . . . 12 ASN HD22 . 6766 1 140 . 1 1 34 34 ASN C C 13 174.38 0.4 . 1 . . . . 12 ASN C . 6766 1 141 . 1 1 34 34 ASN CA C 13 54.985 0.4 . 1 . . . . 12 ASN CA . 6766 1 142 . 1 1 34 34 ASN CB C 13 38.302 0.4 . 1 . . . . 12 ASN CB . 6766 1 143 . 1 1 34 34 ASN N N 15 118.652 0.4 . 1 . . . . 12 ASN N . 6766 1 144 . 1 1 34 34 ASN ND2 N 15 112.316 0.4 . 1 . . . . 12 ASN ND2 . 6766 1 145 . 1 1 35 35 SER H H 1 8.504 0.02 . 1 . . . . 13 SER H . 6766 1 146 . 1 1 35 35 SER HA H 1 4.156 0.02 . 1 . . . . 13 SER HA . 6766 1 147 . 1 1 35 35 SER HB2 H 1 4.049 0.02 . 1 . . . . 13 SER HB2 . 6766 1 148 . 1 1 35 35 SER HB3 H 1 4.157 0.02 . 1 . . . . 13 SER HB3 . 6766 1 149 . 1 1 35 35 SER C C 13 175.19 0.4 . 1 . . . . 13 SER C . 6766 1 150 . 1 1 35 35 SER CA C 13 60.501 0.4 . 1 . . . . 13 SER CA . 6766 1 151 . 1 1 35 35 SER CB C 13 64.760 0.4 . 1 . . . . 13 SER CB . 6766 1 152 . 1 1 35 35 SER N N 15 117.560 0.4 . 1 . . . . 13 SER N . 6766 1 153 . 1 1 36 36 GLU H H 1 8.566 0.02 . 1 . . . . 14 GLU H . 6766 1 154 . 1 1 36 36 GLU HA H 1 4.571 0.02 . 1 . . . . 14 GLU HA . 6766 1 155 . 1 1 36 36 GLU HB2 H 1 1.611 0.02 . 1 . . . . 14 GLU HB2 . 6766 1 156 . 1 1 36 36 GLU HB3 H 1 2.050 0.02 . 1 . . . . 14 GLU HB3 . 6766 1 157 . 1 1 36 36 GLU HG2 H 1 1.914 0.02 . 1 . . . . 14 GLU HG2 . 6766 1 158 . 1 1 36 36 GLU HG3 H 1 2.044 0.02 . 1 . . . . 14 GLU HG3 . 6766 1 159 . 1 1 36 36 GLU C C 13 177.07 0.4 . 1 . . . . 14 GLU C . 6766 1 160 . 1 1 36 36 GLU CA C 13 55.80 0.4 . 1 . . . . 14 GLU CA . 6766 1 161 . 1 1 36 36 GLU CB C 13 29.342 0.4 . 1 . . . . 14 GLU CB . 6766 1 162 . 1 1 36 36 GLU CG C 13 36.445 0.4 . 1 . . . . 14 GLU CG . 6766 1 163 . 1 1 36 36 GLU N N 15 122.957 0.4 . 1 . . . . 14 GLU N . 6766 1 164 . 1 1 37 37 TYR H H 1 8.161 0.02 . 1 . . . . 15 TYR H . 6766 1 165 . 1 1 37 37 TYR HA H 1 4.750 0.02 . 1 . . . . 15 TYR HA . 6766 1 166 . 1 1 37 37 TYR HB2 H 1 2.573 0.02 . 1 . . . . 15 TYR HB2 . 6766 1 167 . 1 1 37 37 TYR HB3 H 1 3.574 0.02 . 1 . . . . 15 TYR HB3 . 6766 1 168 . 1 1 37 37 TYR HD1 H 1 7.09 0.02 . 1 . . . . 15 TYR HD1 . 6766 1 169 . 1 1 37 37 TYR HD2 H 1 7.09 0.02 . 1 . . . . 15 TYR HD2 . 6766 1 170 . 1 1 37 37 TYR HE1 H 1 6.798 0.02 . 1 . . . . 15 TYR HE1 . 6766 1 171 . 1 1 37 37 TYR HE2 H 1 6.798 0.02 . 1 . . . . 15 TYR HE2 . 6766 1 172 . 1 1 37 37 TYR C C 13 173.22 0.4 . 1 . . . . 15 TYR C . 6766 1 173 . 1 1 37 37 TYR CA C 13 58.012 0.4 . 1 . . . . 15 TYR CA . 6766 1 174 . 1 1 37 37 TYR CB C 13 38.202 0.4 . 1 . . . . 15 TYR CB . 6766 1 175 . 1 1 37 37 TYR CD1 C 13 132.76 0.4 . 1 . . . . 15 TYR CD1 . 6766 1 176 . 1 1 37 37 TYR CD2 C 13 132.76 0.4 . 1 . . . . 15 TYR CD2 . 6766 1 177 . 1 1 37 37 TYR CE1 C 13 118.35 0.4 . 1 . . . . 15 TYR CE1 . 6766 1 178 . 1 1 37 37 TYR CE2 C 13 118.35 0.4 . 1 . . . . 15 TYR CE2 . 6766 1 179 . 1 1 37 37 TYR N N 15 119.864 0.4 . 1 . . . . 15 TYR N . 6766 1 180 . 1 1 38 38 THR H H 1 7.331 0.02 . 1 . . . . 16 THR H . 6766 1 181 . 1 1 38 38 THR HA H 1 4.447 0.02 . 1 . . . . 16 THR HA . 6766 1 182 . 1 1 38 38 THR HB H 1 3.741 0.02 . 1 . . . . 16 THR HB . 6766 1 183 . 1 1 38 38 THR HG1 H 1 5.540 0.02 . 1 . . . . 16 THR HG1 . 6766 1 184 . 1 1 38 38 THR HG21 H 1 1.202 0.02 . 1 . . . . 16 THR HG2 . 6766 1 185 . 1 1 38 38 THR HG22 H 1 1.202 0.02 . 1 . . . . 16 THR HG2 . 6766 1 186 . 1 1 38 38 THR HG23 H 1 1.202 0.02 . 1 . . . . 16 THR HG2 . 6766 1 187 . 1 1 38 38 THR C C 13 173.20 0.4 . 1 . . . . 16 THR C . 6766 1 188 . 1 1 38 38 THR CA C 13 62.739 0.4 . 1 . . . . 16 THR CA . 6766 1 189 . 1 1 38 38 THR CB C 13 70.259 0.4 . 1 . . . . 16 THR CB . 6766 1 190 . 1 1 38 38 THR CG2 C 13 25.675 0.4 . 1 . . . . 16 THR CG2 . 6766 1 191 . 1 1 38 38 THR N N 15 115.063 0.4 . 1 . . . . 16 THR N . 6766 1 192 . 1 1 39 39 TYR H H 1 8.986 0.02 . 1 . . . . 17 TYR H . 6766 1 193 . 1 1 39 39 TYR HA H 1 5.018 0.02 . 1 . . . . 17 TYR HA . 6766 1 194 . 1 1 39 39 TYR HB2 H 1 2.926 0.02 . 1 . . . . 17 TYR HB2 . 6766 1 195 . 1 1 39 39 TYR HB3 H 1 3.110 0.02 . 1 . . . . 17 TYR HB3 . 6766 1 196 . 1 1 39 39 TYR HD1 H 1 6.960 0.02 . 1 . . . . 17 TYR HD1 . 6766 1 197 . 1 1 39 39 TYR HD2 H 1 6.960 0.02 . 1 . . . . 17 TYR HD2 . 6766 1 198 . 1 1 39 39 TYR HE1 H 1 6.45 0.02 . 1 . . . . 17 TYR HE1 . 6766 1 199 . 1 1 39 39 TYR HE2 H 1 6.45 0.02 . 1 . . . . 17 TYR HE2 . 6766 1 200 . 1 1 39 39 TYR C C 13 171.94 0.4 . 1 . . . . 17 TYR C . 6766 1 201 . 1 1 39 39 TYR CA C 13 55.343 0.4 . 1 . . . . 17 TYR CA . 6766 1 202 . 1 1 39 39 TYR CB C 13 40.884 0.4 . 1 . . . . 17 TYR CB . 6766 1 203 . 1 1 39 39 TYR CD1 C 13 134.20 0.4 . 1 . . . . 17 TYR CD1 . 6766 1 204 . 1 1 39 39 TYR CD2 C 13 134.20 0.4 . 1 . . . . 17 TYR CD2 . 6766 1 205 . 1 1 39 39 TYR CE1 C 13 117.14 0.4 . 1 . . . . 17 TYR CE1 . 6766 1 206 . 1 1 39 39 TYR CE2 C 13 117.14 0.4 . 1 . . . . 17 TYR CE2 . 6766 1 207 . 1 1 39 39 TYR N N 15 122.475 0.4 . 1 . . . . 17 TYR N . 6766 1 208 . 1 1 40 40 GLU H H 1 8.473 0.02 . 1 . . . . 18 GLU H . 6766 1 209 . 1 1 40 40 GLU HA H 1 4.616 0.02 . 1 . . . . 18 GLU HA . 6766 1 210 . 1 1 40 40 GLU HB2 H 1 1.883 0.02 . 1 . . . . 18 GLU HB2 . 6766 1 211 . 1 1 40 40 GLU HB3 H 1 1.983 0.02 . 1 . . . . 18 GLU HB3 . 6766 1 212 . 1 1 40 40 GLU HG2 H 1 2.079 0.02 . 1 . . . . 18 GLU HG2 . 6766 1 213 . 1 1 40 40 GLU HG3 H 1 2.128 0.02 . 1 . . . . 18 GLU HG3 . 6766 1 214 . 1 1 40 40 GLU C C 13 175.92 0.4 . 1 . . . . 18 GLU C . 6766 1 215 . 1 1 40 40 GLU CA C 13 55.985 0.4 . 1 . . . . 18 GLU CA . 6766 1 216 . 1 1 40 40 GLU CB C 13 32.220 0.4 . 1 . . . . 18 GLU CB . 6766 1 217 . 1 1 40 40 GLU CG C 13 37.10 0.4 . 1 . . . . 18 GLU CG . 6766 1 218 . 1 1 40 40 GLU N N 15 118.379 0.4 . 1 . . . . 18 GLU N . 6766 1 219 . 1 1 41 41 ASP H H 1 8.675 0.02 . 1 . . . . 19 ASP H . 6766 1 220 . 1 1 41 41 ASP HA H 1 4.753 0.02 . 1 . . . . 19 ASP HA . 6766 1 221 . 1 1 41 41 ASP HB2 H 1 2.281 0.02 . 1 . . . . 19 ASP HB2 . 6766 1 222 . 1 1 41 41 ASP HB3 H 1 2.622 0.02 . 1 . . . . 19 ASP HB3 . 6766 1 223 . 1 1 41 41 ASP C C 13 176.01 0.4 . 1 . . . . 19 ASP C . 6766 1 224 . 1 1 41 41 ASP CA C 13 52.889 0.4 . 1 . . . . 19 ASP CA . 6766 1 225 . 1 1 41 41 ASP CB C 13 42.327 0.4 . 1 . . . . 19 ASP CB . 6766 1 226 . 1 1 41 41 ASP N N 15 124.659 0.4 . 1 . . . . 19 ASP N . 6766 1 227 . 1 1 42 42 GLY H H 1 8.816 0.02 . 1 . . . . 20 GLY H . 6766 1 228 . 1 1 42 42 GLY HA2 H 1 3.568 0.02 . 1 . . . . 20 GLY HA2 . 6766 1 229 . 1 1 42 42 GLY HA3 H 1 3.904 0.02 . 1 . . . . 20 GLY HA3 . 6766 1 230 . 1 1 42 42 GLY C C 13 174.58 0.4 . 1 . . . . 20 GLY C . 6766 1 231 . 1 1 42 42 GLY CA C 13 47.069 0.4 . 1 . . . . 20 GLY CA . 6766 1 232 . 1 1 42 42 GLY N N 15 115.227 0.4 . 1 . . . . 20 GLY N . 6766 1 233 . 1 1 43 43 ALA H H 1 8.841 0.02 . 1 . . . . 21 ALA H . 6766 1 234 . 1 1 43 43 ALA HA H 1 4.292 0.02 . 1 . . . . 21 ALA HA . 6766 1 235 . 1 1 43 43 ALA HB1 H 1 1.349 0.02 . 1 . . . . 21 ALA HB . 6766 1 236 . 1 1 43 43 ALA HB2 H 1 1.349 0.02 . 1 . . . . 21 ALA HB . 6766 1 237 . 1 1 43 43 ALA HB3 H 1 1.349 0.02 . 1 . . . . 21 ALA HB . 6766 1 238 . 1 1 43 43 ALA C C 13 176.39 0.4 . 1 . . . . 21 ALA C . 6766 1 239 . 1 1 43 43 ALA CA C 13 52.110 0.4 . 1 . . . . 21 ALA CA . 6766 1 240 . 1 1 43 43 ALA CB C 13 19.036 0.4 . 1 . . . . 21 ALA CB . 6766 1 241 . 1 1 43 43 ALA N N 15 129.829 0.4 . 1 . . . . 21 ALA N . 6766 1 242 . 1 1 44 44 LEU H H 1 7.593 0.02 . 1 . . . . 22 LEU H . 6766 1 243 . 1 1 44 44 LEU HA H 1 4.432 0.02 . 1 . . . . 22 LEU HA . 6766 1 244 . 1 1 44 44 LEU HB2 H 1 1.259 0.02 . 1 . . . . 22 LEU HB2 . 6766 1 245 . 1 1 44 44 LEU HB3 H 1 1.558 0.02 . 1 . . . . 22 LEU HB3 . 6766 1 246 . 1 1 44 44 LEU HG H 1 1.434 0.02 . 1 . . . . 22 LEU HG . 6766 1 247 . 1 1 44 44 LEU HD11 H 1 0.634 0.02 . 1 . . . . 22 LEU HD1 . 6766 1 248 . 1 1 44 44 LEU HD12 H 1 0.634 0.02 . 1 . . . . 22 LEU HD1 . 6766 1 249 . 1 1 44 44 LEU HD13 H 1 0.634 0.02 . 1 . . . . 22 LEU HD1 . 6766 1 250 . 1 1 44 44 LEU HD21 H 1 0.735 0.02 . 1 . . . . 22 LEU HD2 . 6766 1 251 . 1 1 44 44 LEU HD22 H 1 0.735 0.02 . 1 . . . . 22 LEU HD2 . 6766 1 252 . 1 1 44 44 LEU HD23 H 1 0.735 0.02 . 1 . . . . 22 LEU HD2 . 6766 1 253 . 1 1 44 44 LEU C C 13 175.49 0.4 . 1 . . . . 22 LEU C . 6766 1 254 . 1 1 44 44 LEU CA C 13 53.386 0.4 . 1 . . . . 22 LEU CA . 6766 1 255 . 1 1 44 44 LEU CB C 13 44.605 0.4 . 1 . . . . 22 LEU CB . 6766 1 256 . 1 1 44 44 LEU CG C 13 26.633 0.4 . 1 . . . . 22 LEU CG . 6766 1 257 . 1 1 44 44 LEU CD1 C 13 23.421 0.4 . 1 . . . . 22 LEU CD1 . 6766 1 258 . 1 1 44 44 LEU CD2 C 13 25.480 0.4 . 1 . . . . 22 LEU CD2 . 6766 1 259 . 1 1 44 44 LEU N N 15 119.471 0.4 . 1 . . . . 22 LEU N . 6766 1 260 . 1 1 45 45 LEU H H 1 8.266 0.02 . 1 . . . . 23 LEU H . 6766 1 261 . 1 1 45 45 LEU HA H 1 4.325 0.02 . 1 . . . . 23 LEU HA . 6766 1 262 . 1 1 45 45 LEU HB2 H 1 -0.310 0.02 . 1 . . . . 23 LEU HB2 . 6766 1 263 . 1 1 45 45 LEU HB3 H 1 -0.475 0.02 . 1 . . . . 23 LEU HB3 . 6766 1 264 . 1 1 45 45 LEU HG H 1 0.960 0.02 . 1 . . . . 23 LEU HG . 6766 1 265 . 1 1 45 45 LEU HD11 H 1 0.438 0.02 . 1 . . . . 23 LEU HD1 . 6766 1 266 . 1 1 45 45 LEU HD12 H 1 0.438 0.02 . 1 . . . . 23 LEU HD1 . 6766 1 267 . 1 1 45 45 LEU HD13 H 1 0.438 0.02 . 1 . . . . 23 LEU HD1 . 6766 1 268 . 1 1 45 45 LEU HD21 H 1 0.505 0.02 . 1 . . . . 23 LEU HD2 . 6766 1 269 . 1 1 45 45 LEU HD22 H 1 0.505 0.02 . 1 . . . . 23 LEU HD2 . 6766 1 270 . 1 1 45 45 LEU HD23 H 1 0.505 0.02 . 1 . . . . 23 LEU HD2 . 6766 1 271 . 1 1 45 45 LEU CA C 13 52.840 0.4 . 1 . . . . 23 LEU CA . 6766 1 272 . 1 1 45 45 LEU CB C 13 40.100 0.4 . 1 . . . . 23 LEU CB . 6766 1 273 . 1 1 45 45 LEU CG C 13 26.810 0.4 . 1 . . . . 23 LEU CG . 6766 1 274 . 1 1 45 45 LEU CD1 C 13 25.750 0.4 . 1 . . . . 23 LEU CD1 . 6766 1 275 . 1 1 45 45 LEU CD2 C 13 24.080 0.4 . 1 . . . . 23 LEU CD2 . 6766 1 276 . 1 1 45 45 LEU N N 15 121.568 0.4 . 1 . . . . 23 LEU N . 6766 1 277 . 1 1 46 46 VAL H H 1 8.119 0.02 . 1 . . . . 24 VAL H . 6766 1 278 . 1 1 46 46 VAL HA H 1 4.574 0.02 . 1 . . . . 24 VAL HA . 6766 1 279 . 1 1 46 46 VAL HB H 1 0.389 0.02 . 1 . . . . 24 VAL HB . 6766 1 280 . 1 1 46 46 VAL HG11 H 1 0.467 0.02 . 1 . . . . 24 VAL HG1 . 6766 1 281 . 1 1 46 46 VAL HG12 H 1 0.467 0.02 . 1 . . . . 24 VAL HG1 . 6766 1 282 . 1 1 46 46 VAL HG13 H 1 0.467 0.02 . 1 . . . . 24 VAL HG1 . 6766 1 283 . 1 1 46 46 VAL HG21 H 1 0.621 0.02 . 1 . . . . 24 VAL HG2 . 6766 1 284 . 1 1 46 46 VAL HG22 H 1 0.621 0.02 . 1 . . . . 24 VAL HG2 . 6766 1 285 . 1 1 46 46 VAL HG23 H 1 0.621 0.02 . 1 . . . . 24 VAL HG2 . 6766 1 286 . 1 1 46 46 VAL C C 13 173.73 0.4 . 1 . . . . 24 VAL C . 6766 1 287 . 1 1 46 46 VAL CA C 13 60.071 0.4 . 1 . . . . 24 VAL CA . 6766 1 288 . 1 1 46 46 VAL CB C 13 34.939 0.4 . 1 . . . . 24 VAL CB . 6766 1 289 . 1 1 46 46 VAL CG1 C 13 21.548 0.4 . 1 . . . . 24 VAL CG1 . 6766 1 290 . 1 1 46 46 VAL CG2 C 13 21.946 0.4 . 1 . . . . 24 VAL CG2 . 6766 1 291 . 1 1 46 46 VAL N N 15 117.890 0.4 . 1 . . . . 24 VAL N . 6766 1 292 . 1 1 47 47 CYS H H 1 8.776 0.02 . 1 . . . . 25 CYS H . 6766 1 293 . 1 1 47 47 CYS HA H 1 5.269 0.02 . 1 . . . . 25 CYS HA . 6766 1 294 . 1 1 47 47 CYS HB2 H 1 3.196 0.02 . 1 . . . . 25 CYS HB2 . 6766 1 295 . 1 1 47 47 CYS HB3 H 1 3.446 0.02 . 1 . . . . 25 CYS HB3 . 6766 1 296 . 1 1 47 47 CYS C C 13 177.22 0.4 . 1 . . . . 25 CYS C . 6766 1 297 . 1 1 47 47 CYS CA C 13 54.721 0.4 . 1 . . . . 25 CYS CA . 6766 1 298 . 1 1 47 47 CYS CB C 13 33.005 0.4 . 1 . . . . 25 CYS CB . 6766 1 299 . 1 1 47 47 CYS N N 15 126.843 0.4 . 1 . . . . 25 CYS N . 6766 1 300 . 1 1 48 48 PRO HA H 1 4.803 0.02 . 1 . . . . 26 PRO HA . 6766 1 301 . 1 1 48 48 PRO HB2 H 1 2.152 0.02 . 1 . . . . 26 PRO HB2 . 6766 1 302 . 1 1 48 48 PRO HB3 H 1 2.338 0.02 . 1 . . . . 26 PRO HB3 . 6766 1 303 . 1 1 48 48 PRO HG2 H 1 2.081 0.02 . 1 . . . . 26 PRO HG2 . 6766 1 304 . 1 1 48 48 PRO HG3 H 1 2.413 0.02 . 1 . . . . 26 PRO HG3 . 6766 1 305 . 1 1 48 48 PRO HD2 H 1 4.146 0.02 . 1 . . . . 26 PRO HD2 . 6766 1 306 . 1 1 48 48 PRO HD3 H 1 4.367 0.02 . 1 . . . . 26 PRO HD3 . 6766 1 307 . 1 1 48 48 PRO C C 13 176.60 0.4 . 1 . . . . 26 PRO C . 6766 1 308 . 1 1 48 48 PRO CA C 13 63.913 0.4 . 1 . . . . 26 PRO CA . 6766 1 309 . 1 1 48 48 PRO CB C 13 32.405 0.4 . 1 . . . . 26 PRO CB . 6766 1 310 . 1 1 48 48 PRO CG C 13 27.407 0.4 . 1 . . . . 26 PRO CG . 6766 1 311 . 1 1 48 48 PRO CD C 13 51.134 0.4 . 1 . . . . 26 PRO CD . 6766 1 312 . 1 1 48 48 PRO N N 15 141.90 0.4 . 1 . . . . 26 PRO N . 6766 1 313 . 1 1 49 49 GLU H H 1 9.241 0.02 . 1 . . . . 27 GLU H . 6766 1 314 . 1 1 49 49 GLU HA H 1 4.424 0.02 . 1 . . . . 27 GLU HA . 6766 1 315 . 1 1 49 49 GLU HB2 H 1 2.081 0.02 . 1 . . . . 27 GLU HB2 . 6766 1 316 . 1 1 49 49 GLU HB3 H 1 2.196 0.02 . 1 . . . . 27 GLU HB3 . 6766 1 317 . 1 1 49 49 GLU HG2 H 1 2.151 0.02 . 1 . . . . 27 GLU HG2 . 6766 1 318 . 1 1 49 49 GLU HG3 H 1 2.340 0.02 . 1 . . . . 27 GLU HG3 . 6766 1 319 . 1 1 49 49 GLU C C 13 177.34 0.4 . 1 . . . . 27 GLU C . 6766 1 320 . 1 1 49 49 GLU CA C 13 59.010 0.4 . 1 . . . . 27 GLU CA . 6766 1 321 . 1 1 49 49 GLU CB C 13 31.017 0.4 . 1 . . . . 27 GLU CB . 6766 1 322 . 1 1 49 49 GLU CG C 13 37.210 0.4 . 1 . . . . 27 GLU CG . 6766 1 323 . 1 1 49 49 GLU N N 15 123.276 0.4 . 1 . . . . 27 GLU N . 6766 1 324 . 1 1 50 50 CYS H H 1 9.290 0.02 . 1 . . . . 28 CYS H . 6766 1 325 . 1 1 50 50 CYS HA H 1 5.040 0.02 . 1 . . . . 28 CYS HA . 6766 1 326 . 1 1 50 50 CYS HB2 H 1 2.619 0.02 . 1 . . . . 28 CYS HB2 . 6766 1 327 . 1 1 50 50 CYS HB3 H 1 3.232 0.02 . 1 . . . . 28 CYS HB3 . 6766 1 328 . 1 1 50 50 CYS C C 13 176.54 0.4 . 1 . . . . 28 CYS C . 6766 1 329 . 1 1 50 50 CYS CA C 13 58.699 0.4 . 1 . . . . 28 CYS CA . 6766 1 330 . 1 1 50 50 CYS CB C 13 32.002 0.4 . 1 . . . . 28 CYS CB . 6766 1 331 . 1 1 50 50 CYS N N 15 121.422 0.4 . 1 . . . . 28 CYS N . 6766 1 332 . 1 1 51 51 ALA H H 1 7.754 0.02 . 1 . . . . 29 ALA H . 6766 1 333 . 1 1 51 51 ALA HA H 1 4.384 0.02 . 1 . . . . 29 ALA HA . 6766 1 334 . 1 1 51 51 ALA HB1 H 1 1.603 0.02 . 1 . . . . 29 ALA HB . 6766 1 335 . 1 1 51 51 ALA HB2 H 1 1.603 0.02 . 1 . . . . 29 ALA HB . 6766 1 336 . 1 1 51 51 ALA HB3 H 1 1.603 0.02 . 1 . . . . 29 ALA HB . 6766 1 337 . 1 1 51 51 ALA C C 13 176.43 0.4 . 1 . . . . 29 ALA C . 6766 1 338 . 1 1 51 51 ALA CA C 13 54.298 0.4 . 1 . . . . 29 ALA CA . 6766 1 339 . 1 1 51 51 ALA CB C 13 17.196 0.4 . 1 . . . . 29 ALA CB . 6766 1 340 . 1 1 51 51 ALA N N 15 121.519 0.4 . 1 . . . . 29 ALA N . 6766 1 341 . 1 1 52 52 HIS H H 1 8.857 0.02 . 1 . . . . 30 HIS H . 6766 1 342 . 1 1 52 52 HIS HA H 1 4.521 0.02 . 1 . . . . 30 HIS HA . 6766 1 343 . 1 1 52 52 HIS HB2 H 1 3.194 0.02 . 1 . . . . 30 HIS HB2 . 6766 1 344 . 1 1 52 52 HIS HB3 H 1 3.323 0.02 . 1 . . . . 30 HIS HB3 . 6766 1 345 . 1 1 52 52 HIS HE1 H 1 7.076 0.02 . 1 . . . . 30 HIS HE1 . 6766 1 346 . 1 1 52 52 HIS C C 13 172.64 0.4 . 1 . . . . 30 HIS C . 6766 1 347 . 1 1 52 52 HIS CA C 13 58.362 0.4 . 1 . . . . 30 HIS CA . 6766 1 348 . 1 1 52 52 HIS CB C 13 31.335 0.4 . 1 . . . . 30 HIS CB . 6766 1 349 . 1 1 52 52 HIS N N 15 123.880 0.4 . 1 . . . . 30 HIS N . 6766 1 350 . 1 1 53 53 GLU H H 1 7.076 0.02 . 1 . . . . 31 GLU H . 6766 1 351 . 1 1 53 53 GLU HA H 1 5.732 0.02 . 1 . . . . 31 GLU HA . 6766 1 352 . 1 1 53 53 GLU HB2 H 1 1.793 0.02 . 1 . . . . 31 GLU HB2 . 6766 1 353 . 1 1 53 53 GLU HB3 H 1 1.873 0.02 . 1 . . . . 31 GLU HB3 . 6766 1 354 . 1 1 53 53 GLU HG2 H 1 2.190 0.02 . 1 . . . . 31 GLU HG2 . 6766 1 355 . 1 1 53 53 GLU HG3 H 1 2.360 0.02 . 1 . . . . 31 GLU HG3 . 6766 1 356 . 1 1 53 53 GLU C C 13 175.74 0.4 . 1 . . . . 31 GLU C . 6766 1 357 . 1 1 53 53 GLU CA C 13 53.627 0.4 . 1 . . . . 31 GLU CA . 6766 1 358 . 1 1 53 53 GLU CB C 13 32.989 0.4 . 1 . . . . 31 GLU CB . 6766 1 359 . 1 1 53 53 GLU CG C 13 36.000 0.4 . 1 . . . . 31 GLU CG . 6766 1 360 . 1 1 53 53 GLU N N 15 121.832 0.4 . 1 . . . . 31 GLU N . 6766 1 361 . 1 1 54 54 TRP H H 1 9.333 0.02 . 1 . . . . 32 TRP H . 6766 1 362 . 1 1 54 54 TRP HA H 1 4.823 0.02 . 1 . . . . 32 TRP HA . 6766 1 363 . 1 1 54 54 TRP HB2 H 1 3.102 0.02 . 1 . . . . 32 TRP HB2 . 6766 1 364 . 1 1 54 54 TRP HB3 H 1 3.195 0.02 . 1 . . . . 32 TRP HB3 . 6766 1 365 . 1 1 54 54 TRP HD1 H 1 6.926 0.02 . 1 . . . . 32 TRP HD1 . 6766 1 366 . 1 1 54 54 TRP HE1 H 1 9.778 0.02 . 1 . . . . 32 TRP HE1 . 6766 1 367 . 1 1 54 54 TRP HZ2 H 1 7.050 0.02 . 1 . . . . 32 TRP HZ2 . 6766 1 368 . 1 1 54 54 TRP HZ3 H 1 6.376 0.02 . 1 . . . . 32 TRP HZ3 . 6766 1 369 . 1 1 54 54 TRP HH2 H 1 6.79 0.02 . 1 . . . . 32 TRP HH2 . 6766 1 370 . 1 1 54 54 TRP C C 13 172.150 0.4 . 1 . . . . 32 TRP C . 6766 1 371 . 1 1 54 54 TRP CA C 13 56.475 0.4 . 1 . . . . 32 TRP CA . 6766 1 372 . 1 1 54 54 TRP CB C 13 32.755 0.4 . 1 . . . . 32 TRP CB . 6766 1 373 . 1 1 54 54 TRP CD1 C 13 127.8 0.4 . 1 . . . . 32 TRP CD1 . 6766 1 374 . 1 1 54 54 TRP CZ2 C 13 109.531 0.4 . 1 . . . . 32 TRP CZ2 . 6766 1 375 . 1 1 54 54 TRP CZ3 C 13 120.530 0.4 . 1 . . . . 32 TRP CZ3 . 6766 1 376 . 1 1 54 54 TRP CH2 C 13 118.351 0.4 . 1 . . . . 32 TRP CH2 . 6766 1 377 . 1 1 54 54 TRP N N 15 124.329 0.4 . 1 . . . . 32 TRP N . 6766 1 378 . 1 1 54 54 TRP NE1 N 15 128.248 0.4 . 1 . . . . 32 TRP NE1 . 6766 1 379 . 1 1 55 55 SER H H 1 8.439 0.02 . 1 . . . . 33 SER H . 6766 1 380 . 1 1 55 55 SER HA H 1 4.933 0.02 . 1 . . . . 33 SER HA . 6766 1 381 . 1 1 55 55 SER HB2 H 1 3.785 0.02 . 1 . . . . 33 SER HB2 . 6766 1 382 . 1 1 55 55 SER HB3 H 1 3.852 0.02 . 1 . . . . 33 SER HB3 . 6766 1 383 . 1 1 55 55 SER C C 13 173.975 0.4 . 1 . . . . 33 SER C . 6766 1 384 . 1 1 55 55 SER CA C 13 54.131 0.4 . 1 . . . . 33 SER CA . 6766 1 385 . 1 1 55 55 SER CB C 13 63.964 0.4 . 1 . . . . 33 SER CB . 6766 1 386 . 1 1 55 55 SER N N 15 114.147 0.4 . 1 . . . . 33 SER N . 6766 1 387 . 1 1 56 56 PRO HA H 1 4.483 0.02 . 1 . . . . 34 PRO HA . 6766 1 388 . 1 1 56 56 PRO HB2 H 1 2.004 0.02 . 1 . . . . 34 PRO HB2 . 6766 1 389 . 1 1 56 56 PRO HB3 H 1 2.184 0.02 . 1 . . . . 34 PRO HB3 . 6766 1 390 . 1 1 56 56 PRO HG2 H 1 1.848 0.02 . 1 . . . . 34 PRO HG2 . 6766 1 391 . 1 1 56 56 PRO HG3 H 1 1.956 0.02 . 1 . . . . 34 PRO HG3 . 6766 1 392 . 1 1 56 56 PRO HD2 H 1 3.443 0.02 . 1 . . . . 34 PRO HD2 . 6766 1 393 . 1 1 56 56 PRO HD3 H 1 3.849 0.02 . 1 . . . . 34 PRO HD3 . 6766 1 394 . 1 1 56 56 PRO C C 13 176.47 0.4 . 1 . . . . 34 PRO C . 6766 1 395 . 1 1 56 56 PRO CA C 13 63.145 0.4 . 1 . . . . 34 PRO CA . 6766 1 396 . 1 1 56 56 PRO CB C 13 32.148 0.4 . 1 . . . . 34 PRO CB . 6766 1 397 . 1 1 56 56 PRO CG C 13 27.009 0.4 . 1 . . . . 34 PRO CG . 6766 1 398 . 1 1 56 56 PRO CD C 13 50.830 0.4 . 1 . . . . 34 PRO CD . 6766 1 399 . 1 1 56 56 PRO N N 15 138.15 0.4 . 1 . . . . 34 PRO N . 6766 1 400 . 1 1 57 57 ASN H H 1 8.391 0.02 . 1 . . . . 35 ASN H . 6766 1 401 . 1 1 57 57 ASN HA H 1 4.716 0.02 . 1 . . . . 35 ASN HA . 6766 1 402 . 1 1 57 57 ASN HB2 H 1 2.727 0.02 . 1 . . . . 35 ASN HB2 . 6766 1 403 . 1 1 57 57 ASN HB3 H 1 2.835 0.02 . 1 . . . . 35 ASN HB3 . 6766 1 404 . 1 1 57 57 ASN HD21 H 1 6.968 0.02 . 1 . . . . 35 ASN HD21 . 6766 1 405 . 1 1 57 57 ASN HD22 H 1 7.625 0.02 . 1 . . . . 35 ASN HD22 . 6766 1 406 . 1 1 57 57 ASN C C 13 175.30 0.4 . 1 . . . . 35 ASN C . 6766 1 407 . 1 1 57 57 ASN CA C 13 53.241 0.4 . 1 . . . . 35 ASN CA . 6766 1 408 . 1 1 57 57 ASN CB C 13 38.957 0.4 . 1 . . . . 35 ASN CB . 6766 1 409 . 1 1 57 57 ASN N N 15 118.049 0.4 . 1 . . . . 35 ASN N . 6766 1 410 . 1 1 57 57 ASN ND2 N 15 113.289 0.4 . 1 . . . . 35 ASN ND2 . 6766 1 411 . 1 1 58 58 GLU H H 1 8.267 0.02 . 1 . . . . 36 GLU H . 6766 1 412 . 1 1 58 58 GLU HA H 1 4.260 0.02 . 1 . . . . 36 GLU HA . 6766 1 413 . 1 1 58 58 GLU HB2 H 1 1.997 0.02 . 1 . . . . 36 GLU HB2 . 6766 1 414 . 1 1 58 58 GLU HB3 H 1 2.095 0.02 . 1 . . . . 36 GLU HB3 . 6766 1 415 . 1 1 58 58 GLU HG2 H 1 2.294 0.02 . 1 . . . . 36 GLU HG2 . 6766 1 416 . 1 1 58 58 GLU HG3 H 1 2.290 0.02 . 1 . . . . 36 GLU HG3 . 6766 1 417 . 1 1 58 58 GLU C C 13 176.23 0.4 . 1 . . . . 36 GLU C . 6766 1 418 . 1 1 58 58 GLU CA C 13 56.631 0.4 . 1 . . . . 36 GLU CA . 6766 1 419 . 1 1 58 58 GLU CB C 13 30.282 0.4 . 1 . . . . 36 GLU CB . 6766 1 420 . 1 1 58 58 GLU CG C 13 36.211 0.4 . 1 . . . . 36 GLU CG . 6766 1 421 . 1 1 58 58 GLU N N 15 121.479 0.4 . 1 . . . . 36 GLU N . 6766 1 422 . 1 1 59 59 ALA H H 1 8.300 0.02 . 1 . . . . 37 ALA H . 6766 1 423 . 1 1 59 59 ALA HA H 1 4.307 0.02 . 1 . . . . 37 ALA HA . 6766 1 424 . 1 1 59 59 ALA HB1 H 1 1.402 0.02 . 1 . . . . 37 ALA HB . 6766 1 425 . 1 1 59 59 ALA HB2 H 1 1.402 0.02 . 1 . . . . 37 ALA HB . 6766 1 426 . 1 1 59 59 ALA HB3 H 1 1.402 0.02 . 1 . . . . 37 ALA HB . 6766 1 427 . 1 1 59 59 ALA C C 13 177.60 0.4 . 1 . . . . 37 ALA C . 6766 1 428 . 1 1 59 59 ALA CA C 13 52.343 0.4 . 1 . . . . 37 ALA CA . 6766 1 429 . 1 1 59 59 ALA CB C 13 19.348 0.4 . 1 . . . . 37 ALA CB . 6766 1 430 . 1 1 59 59 ALA N N 15 124.972 0.4 . 1 . . . . 37 ALA N . 6766 1 431 . 1 1 60 60 ALA H H 1 8.252 0.02 . 1 . . . . 38 ALA H . 6766 1 432 . 1 1 60 60 ALA HA H 1 4.330 0.02 . 1 . . . . 38 ALA HA . 6766 1 433 . 1 1 60 60 ALA HB1 H 1 1.403 0.02 . 1 . . . . 38 ALA HB . 6766 1 434 . 1 1 60 60 ALA HB2 H 1 1.403 0.02 . 1 . . . . 38 ALA HB . 6766 1 435 . 1 1 60 60 ALA HB3 H 1 1.403 0.02 . 1 . . . . 38 ALA HB . 6766 1 436 . 1 1 60 60 ALA C C 13 177.57 0.4 . 1 . . . . 38 ALA C . 6766 1 437 . 1 1 60 60 ALA CA C 13 52.456 0.4 . 1 . . . . 38 ALA CA . 6766 1 438 . 1 1 60 60 ALA CB C 13 19.280 0.4 . 1 . . . . 38 ALA CB . 6766 1 439 . 1 1 60 60 ALA N N 15 123.430 0.4 . 1 . . . . 38 ALA N . 6766 1 440 . 1 1 61 61 THR H H 1 8.088 0.02 . 1 . . . . 39 THR H . 6766 1 441 . 1 1 61 61 THR HA H 1 4.316 0.02 . 1 . . . . 39 THR HA . 6766 1 442 . 1 1 61 61 THR HB H 1 4.217 0.02 . 1 . . . . 39 THR HB . 6766 1 443 . 1 1 61 61 THR HG21 H 1 1.190 0.02 . 1 . . . . 39 THR HG2 . 6766 1 444 . 1 1 61 61 THR HG22 H 1 1.190 0.02 . 1 . . . . 39 THR HG2 . 6766 1 445 . 1 1 61 61 THR HG23 H 1 1.190 0.02 . 1 . . . . 39 THR HG2 . 6766 1 446 . 1 1 61 61 THR C C 13 174.36 0.4 . 1 . . . . 39 THR C . 6766 1 447 . 1 1 61 61 THR CA C 13 61.475 0.4 . 1 . . . . 39 THR CA . 6766 1 448 . 1 1 61 61 THR CB C 13 69.729 0.4 . 1 . . . . 39 THR CB . 6766 1 449 . 1 1 61 61 THR CG2 C 13 21.728 0.4 . 1 . . . . 39 THR CG2 . 6766 1 450 . 1 1 61 61 THR N N 15 113.249 0.4 . 1 . . . . 39 THR N . 6766 1 451 . 1 1 62 62 ALA H H 1 8.311 0.02 . 1 . . . . 40 ALA H . 6766 1 452 . 1 1 62 62 ALA HA H 1 4.361 0.02 . 1 . . . . 40 ALA HA . 6766 1 453 . 1 1 62 62 ALA HB1 H 1 1.410 0.02 . 1 . . . . 40 ALA HB . 6766 1 454 . 1 1 62 62 ALA HB2 H 1 1.410 0.02 . 1 . . . . 40 ALA HB . 6766 1 455 . 1 1 62 62 ALA HB3 H 1 1.410 0.02 . 1 . . . . 40 ALA HB . 6766 1 456 . 1 1 62 62 ALA C C 13 177.73 0.4 . 1 . . . . 40 ALA C . 6766 1 457 . 1 1 62 62 ALA CA C 13 52.484 0.4 . 1 . . . . 40 ALA CA . 6766 1 458 . 1 1 62 62 ALA CB C 13 19.270 0.4 . 1 . . . . 40 ALA CB . 6766 1 459 . 1 1 62 62 ALA N N 15 126.707 0.4 . 1 . . . . 40 ALA N . 6766 1 460 . 1 1 63 63 SER H H 1 8.330 0.02 . 1 . . . . 41 SER H . 6766 1 461 . 1 1 63 63 SER HA H 1 4.419 0.02 . 1 . . . . 41 SER HA . 6766 1 462 . 1 1 63 63 SER HB2 H 1 3.819 0.02 . 1 . . . . 41 SER HB2 . 6766 1 463 . 1 1 63 63 SER HB3 H 1 3.883 0.02 . 1 . . . . 41 SER HB3 . 6766 1 464 . 1 1 63 63 SER C C 13 174.390 0.4 . 1 . . . . 41 SER C . 6766 1 465 . 1 1 63 63 SER CA C 13 58.184 0.4 . 1 . . . . 41 SER CA . 6766 1 466 . 1 1 63 63 SER CB C 13 63.715 0.4 . 1 . . . . 41 SER CB . 6766 1 467 . 1 1 63 63 SER N N 15 115.473 0.4 . 1 . . . . 41 SER N . 6766 1 468 . 1 1 64 64 ASP H H 1 8.370 0.02 . 1 . . . . 42 ASP H . 6766 1 469 . 1 1 64 64 ASP HA H 1 4.640 0.02 . 1 . . . . 42 ASP HA . 6766 1 470 . 1 1 64 64 ASP HB2 H 1 2.651 0.02 . 1 . . . . 42 ASP HB2 . 6766 1 471 . 1 1 64 64 ASP HB3 H 1 2.701 0.02 . 1 . . . . 42 ASP HB3 . 6766 1 472 . 1 1 64 64 ASP C C 13 175.0 0.4 . 1 . . . . 42 ASP C . 6766 1 473 . 1 1 64 64 ASP CA C 13 54.368 0.4 . 1 . . . . 42 ASP CA . 6766 1 474 . 1 1 64 64 ASP CB C 13 41.219 0.4 . 1 . . . . 42 ASP CB . 6766 1 475 . 1 1 64 64 ASP N N 15 122.651 0.4 . 1 . . . . 42 ASP N . 6766 1 476 . 1 1 65 65 ASP H H 1 8.256 0.02 . 1 . . . . 43 ASP H . 6766 1 477 . 1 1 65 65 ASP HA H 1 4.577 0.02 . 1 . . . . 43 ASP HA . 6766 1 478 . 1 1 65 65 ASP HB2 H 1 2.671 0.02 . 1 . . . . 43 ASP HB2 . 6766 1 479 . 1 1 65 65 ASP HB3 H 1 2.671 0.02 . 1 . . . . 43 ASP HB3 . 6766 1 480 . 1 1 65 65 ASP C C 13 176.9 0.4 . 1 . . . . 43 ASP C . 6766 1 481 . 1 1 65 65 ASP CA C 13 54.533 0.4 . 1 . . . . 43 ASP CA . 6766 1 482 . 1 1 65 65 ASP CB C 13 41.039 0.4 . 1 . . . . 43 ASP CB . 6766 1 483 . 1 1 65 65 ASP N N 15 121.110 0.4 . 1 . . . . 43 ASP N . 6766 1 484 . 1 1 66 66 GLY H H 1 8.362 0.02 . 1 . . . . 44 GLY H . 6766 1 485 . 1 1 66 66 GLY HA2 H 1 3.898 0.02 . 1 . . . . 44 GLY HA2 . 6766 1 486 . 1 1 66 66 GLY HA3 H 1 3.898 0.02 . 1 . . . . 44 GLY HA3 . 6766 1 487 . 1 1 66 66 GLY C C 13 174.05 0.4 . 1 . . . . 44 GLY C . 6766 1 488 . 1 1 66 66 GLY CA C 13 45.408 0.4 . 1 . . . . 44 GLY CA . 6766 1 489 . 1 1 66 66 GLY N N 15 109.057 0.4 . 1 . . . . 44 GLY N . 6766 1 490 . 1 1 67 67 LYS H H 1 8.130 0.02 . 1 . . . . 45 LYS H . 6766 1 491 . 1 1 67 67 LYS HA H 1 4.298 0.02 . 1 . . . . 45 LYS HA . 6766 1 492 . 1 1 67 67 LYS HB2 H 1 1.753 0.02 . 1 . . . . 45 LYS HB2 . 6766 1 493 . 1 1 67 67 LYS HB3 H 1 1.753 0.02 . 1 . . . . 45 LYS HB3 . 6766 1 494 . 1 1 67 67 LYS HG2 H 1 1.313 0.02 . 1 . . . . 45 LYS HG2 . 6766 1 495 . 1 1 67 67 LYS HG3 H 1 1.383 0.02 . 1 . . . . 45 LYS HG3 . 6766 1 496 . 1 1 67 67 LYS HD2 H 1 1.599 0.02 . 1 . . . . 45 LYS HD2 . 6766 1 497 . 1 1 67 67 LYS HD3 H 1 1.651 0.02 . 1 . . . . 45 LYS HD3 . 6766 1 498 . 1 1 67 67 LYS HE2 H 1 2.973 0.02 . 1 . . . . 45 LYS HE2 . 6766 1 499 . 1 1 67 67 LYS HE3 H 1 2.973 0.02 . 1 . . . . 45 LYS HE3 . 6766 1 500 . 1 1 67 67 LYS C C 13 176.09 0.4 . 1 . . . . 45 LYS C . 6766 1 501 . 1 1 67 67 LYS CA C 13 56.203 0.4 . 1 . . . . 45 LYS CA . 6766 1 502 . 1 1 67 67 LYS CB C 13 33.005 0.4 . 1 . . . . 45 LYS CB . 6766 1 503 . 1 1 67 67 LYS CG C 13 24.856 0.4 . 1 . . . . 45 LYS CG . 6766 1 504 . 1 1 67 67 LYS CD C 13 29.331 0.4 . 1 . . . . 45 LYS CD . 6766 1 505 . 1 1 67 67 LYS CE C 13 41.983 0.4 . 1 . . . . 45 LYS CE . 6766 1 506 . 1 1 67 67 LYS N N 15 121.246 0.4 . 1 . . . . 45 LYS N . 6766 1 507 . 1 1 68 68 VAL H H 1 8.110 0.02 . 1 . . . . 46 VAL H . 6766 1 508 . 1 1 68 68 VAL HA H 1 4.107 0.02 . 1 . . . . 46 VAL HA . 6766 1 509 . 1 1 68 68 VAL HB H 1 1.992 0.02 . 1 . . . . 46 VAL HB . 6766 1 510 . 1 1 68 68 VAL HG11 H 1 0.881 0.02 . 1 . . . . 46 VAL HG1 . 6766 1 511 . 1 1 68 68 VAL HG12 H 1 0.881 0.02 . 1 . . . . 46 VAL HG1 . 6766 1 512 . 1 1 68 68 VAL HG13 H 1 0.881 0.02 . 1 . . . . 46 VAL HG1 . 6766 1 513 . 1 1 68 68 VAL HG21 H 1 0.894 0.02 . 1 . . . . 46 VAL HG2 . 6766 1 514 . 1 1 68 68 VAL HG22 H 1 0.894 0.02 . 1 . . . . 46 VAL HG2 . 6766 1 515 . 1 1 68 68 VAL HG23 H 1 0.894 0.02 . 1 . . . . 46 VAL HG2 . 6766 1 516 . 1 1 68 68 VAL C C 13 174.96 0.4 . 1 . . . . 46 VAL C . 6766 1 517 . 1 1 68 68 VAL CA C 13 61.757 0.4 . 1 . . . . 46 VAL CA . 6766 1 518 . 1 1 68 68 VAL CB C 13 33.208 0.4 . 1 . . . . 46 VAL CB . 6766 1 519 . 1 1 68 68 VAL CG1 C 13 21.962 0.4 . 1 . . . . 46 VAL CG1 . 6766 1 520 . 1 1 68 68 VAL CG2 C 13 20.829 0.4 . 1 . . . . 46 VAL CG2 . 6766 1 521 . 1 1 68 68 VAL N N 15 122.964 0.4 . 1 . . . . 46 VAL N . 6766 1 522 . 1 1 69 69 ILE H H 1 9.043 0.02 . 1 . . . . 47 ILE H . 6766 1 523 . 1 1 69 69 ILE HA H 1 4.163 0.02 . 1 . . . . 47 ILE HA . 6766 1 524 . 1 1 69 69 ILE HB H 1 1.746 0.02 . 1 . . . . 47 ILE HB . 6766 1 525 . 1 1 69 69 ILE HG12 H 1 1.206 0.02 . 1 . . . . 47 ILE HG12 . 6766 1 526 . 1 1 69 69 ILE HG13 H 1 1.466 0.02 . 1 . . . . 47 ILE HG13 . 6766 1 527 . 1 1 69 69 ILE HG21 H 1 0.778 0.02 . 1 . . . . 47 ILE HG2 . 6766 1 528 . 1 1 69 69 ILE HG22 H 1 0.778 0.02 . 1 . . . . 47 ILE HG2 . 6766 1 529 . 1 1 69 69 ILE HG23 H 1 0.778 0.02 . 1 . . . . 47 ILE HG2 . 6766 1 530 . 1 1 69 69 ILE HD11 H 1 0.901 0.02 . 1 . . . . 47 ILE HD1 . 6766 1 531 . 1 1 69 69 ILE HD12 H 1 0.901 0.02 . 1 . . . . 47 ILE HD1 . 6766 1 532 . 1 1 69 69 ILE HD13 H 1 0.901 0.02 . 1 . . . . 47 ILE HD1 . 6766 1 533 . 1 1 69 69 ILE C C 13 174.26 0.4 . 1 . . . . 47 ILE C . 6766 1 534 . 1 1 69 69 ILE CA C 13 60.492 0.4 . 1 . . . . 47 ILE CA . 6766 1 535 . 1 1 69 69 ILE CB C 13 38.152 0.4 . 1 . . . . 47 ILE CB . 6766 1 536 . 1 1 69 69 ILE CG1 C 13 28.030 0.4 . 1 . . . . 47 ILE CG1 . 6766 1 537 . 1 1 69 69 ILE CG2 C 13 18.069 0.4 . 1 . . . . 47 ILE CG2 . 6766 1 538 . 1 1 69 69 ILE CD1 C 13 13.482 0.4 . 1 . . . . 47 ILE CD1 . 6766 1 539 . 1 1 69 69 ILE N N 15 130.023 0.4 . 1 . . . . 47 ILE N . 6766 1 540 . 1 1 70 70 LYS H H 1 8.400 0.02 . 1 . . . . 48 LYS H . 6766 1 541 . 1 1 70 70 LYS HA H 1 5.257 0.02 . 1 . . . . 48 LYS HA . 6766 1 542 . 1 1 70 70 LYS HB2 H 1 1.457 0.02 . 1 . . . . 48 LYS HB2 . 6766 1 543 . 1 1 70 70 LYS HB3 H 1 1.586 0.02 . 1 . . . . 48 LYS HB3 . 6766 1 544 . 1 1 70 70 LYS HG2 H 1 1.000 0.02 . 1 . . . . 48 LYS HG2 . 6766 1 545 . 1 1 70 70 LYS HG3 H 1 1.245 0.02 . 1 . . . . 48 LYS HG3 . 6766 1 546 . 1 1 70 70 LYS HD2 H 1 1.491 0.02 . 1 . . . . 48 LYS HD2 . 6766 1 547 . 1 1 70 70 LYS HD3 H 1 1.596 0.02 . 1 . . . . 48 LYS HD3 . 6766 1 548 . 1 1 70 70 LYS HE2 H 1 2.802 0.02 . 1 . . . . 48 LYS HE2 . 6766 1 549 . 1 1 70 70 LYS HE3 H 1 2.802 0.02 . 1 . . . . 48 LYS HE3 . 6766 1 550 . 1 1 70 70 LYS C C 13 174.09 0.4 . 1 . . . . 48 LYS C . 6766 1 551 . 1 1 70 70 LYS CA C 13 60.492 0.4 . 1 . . . . 48 LYS CA . 6766 1 552 . 1 1 70 70 LYS CB C 13 38.152 0.4 . 1 . . . . 48 LYS CB . 6766 1 553 . 1 1 70 70 LYS CG C 13 26.053 0.4 . 1 . . . . 48 LYS CG . 6766 1 554 . 1 1 70 70 LYS CD C 13 28.983 0.4 . 1 . . . . 48 LYS CD . 6766 1 555 . 1 1 70 70 LYS CE C 13 42.111 0.4 . 1 . . . . 48 LYS CE . 6766 1 556 . 1 1 70 70 LYS N N 15 125.518 0.4 . 1 . . . . 48 LYS N . 6766 1 557 . 1 1 71 71 ASP H H 1 8.588 0.02 . 1 . . . . 49 ASP H . 6766 1 558 . 1 1 71 71 ASP HA H 1 4.623 0.02 . 1 . . . . 49 ASP HA . 6766 1 559 . 1 1 71 71 ASP HB2 H 1 2.418 0.02 . 1 . . . . 49 ASP HB2 . 6766 1 560 . 1 1 71 71 ASP HB3 H 1 3.544 0.02 . 1 . . . . 49 ASP HB3 . 6766 1 561 . 1 1 71 71 ASP C C 13 178.35 0.4 . 1 . . . . 49 ASP C . 6766 1 562 . 1 1 71 71 ASP CA C 13 51.946 0.4 . 1 . . . . 49 ASP CA . 6766 1 563 . 1 1 71 71 ASP CB C 13 41.631 0.4 . 1 . . . . 49 ASP CB . 6766 1 564 . 1 1 71 71 ASP N N 15 118.886 0.4 . 1 . . . . 49 ASP N . 6766 1 565 . 1 1 72 72 SER H H 1 7.936 0.02 . 1 . . . . 50 SER H . 6766 1 566 . 1 1 72 72 SER HA H 1 4.065 0.02 . 1 . . . . 50 SER HA . 6766 1 567 . 1 1 72 72 SER HB2 H 1 3.920 0.02 . 1 . . . . 50 SER HB2 . 6766 1 568 . 1 1 72 72 SER HB3 H 1 4.140 0.02 . 1 . . . . 50 SER HB3 . 6766 1 569 . 1 1 72 72 SER C C 13 175.820 0.4 . 1 . . . . 50 SER C . 6766 1 570 . 1 1 72 72 SER CA C 13 61.140 0.4 . 1 . . . . 50 SER CA . 6766 1 571 . 1 1 72 72 SER CB C 13 64.471 0.4 . 1 . . . . 50 SER CB . 6766 1 572 . 1 1 72 72 SER N N 15 109.409 0.4 . 1 . . . . 50 SER N . 6766 1 573 . 1 1 73 73 VAL H H 1 7.934 0.02 . 1 . . . . 51 VAL H . 6766 1 574 . 1 1 73 73 VAL HA H 1 4.677 0.02 . 1 . . . . 51 VAL HA . 6766 1 575 . 1 1 73 73 VAL HB H 1 2.477 0.02 . 1 . . . . 51 VAL HB . 6766 1 576 . 1 1 73 73 VAL HG11 H 1 0.885 0.02 . 1 . . . . 51 VAL HG1 . 6766 1 577 . 1 1 73 73 VAL HG12 H 1 0.885 0.02 . 1 . . . . 51 VAL HG1 . 6766 1 578 . 1 1 73 73 VAL HG13 H 1 0.885 0.02 . 1 . . . . 51 VAL HG1 . 6766 1 579 . 1 1 73 73 VAL HG21 H 1 0.886 0.02 . 1 . . . . 51 VAL HG2 . 6766 1 580 . 1 1 73 73 VAL HG22 H 1 0.886 0.02 . 1 . . . . 51 VAL HG2 . 6766 1 581 . 1 1 73 73 VAL HG23 H 1 0.886 0.02 . 1 . . . . 51 VAL HG2 . 6766 1 582 . 1 1 73 73 VAL C C 13 176.13 0.4 . 1 . . . . 51 VAL C . 6766 1 583 . 1 1 73 73 VAL CA C 13 60.251 0.4 . 1 . . . . 51 VAL CA . 6766 1 584 . 1 1 73 73 VAL CB C 13 32.038 0.4 . 1 . . . . 51 VAL CB . 6766 1 585 . 1 1 73 73 VAL CG1 C 13 20.401 0.4 . 1 . . . . 51 VAL CG1 . 6766 1 586 . 1 1 73 73 VAL CG2 C 13 21.712 0.4 . 1 . . . . 51 VAL CG2 . 6766 1 587 . 1 1 73 73 VAL N N 15 113.795 0.4 . 1 . . . . 51 VAL N . 6766 1 588 . 1 1 74 74 GLY H H 1 7.802 0.02 . 1 . . . . 52 GLY H . 6766 1 589 . 1 1 74 74 GLY HA2 H 1 3.530 0.02 . 1 . . . . 52 GLY HA2 . 6766 1 590 . 1 1 74 74 GLY HA3 H 1 4.384 0.02 . 1 . . . . 52 GLY HA3 . 6766 1 591 . 1 1 74 74 GLY C C 13 174.79 0.4 . 1 . . . . 52 GLY C . 6766 1 592 . 1 1 74 74 GLY CA C 13 45.565 0.4 . 1 . . . . 52 GLY CA . 6766 1 593 . 1 1 74 74 GLY N N 15 109.466 0.4 . 1 . . . . 52 GLY N . 6766 1 594 . 1 1 75 75 ASN H H 1 9.203 0.02 . 1 . . . . 53 ASN H . 6766 1 595 . 1 1 75 75 ASN HA H 1 4.648 0.02 . 1 . . . . 53 ASN HA . 6766 1 596 . 1 1 75 75 ASN HB2 H 1 2.359 0.02 . 1 . . . . 53 ASN HB2 . 6766 1 597 . 1 1 75 75 ASN HB3 H 1 2.760 0.02 . 1 . . . . 53 ASN HB3 . 6766 1 598 . 1 1 75 75 ASN HD21 H 1 9.387 0.02 . 1 . . . . 53 ASN HD21 . 6766 1 599 . 1 1 75 75 ASN HD22 H 1 7.127 0.02 . 1 . . . . 53 ASN HD22 . 6766 1 600 . 1 1 75 75 ASN C C 13 174.40 0.4 . 1 . . . . 53 ASN C . 6766 1 601 . 1 1 75 75 ASN CA C 13 53.282 0.4 . 1 . . . . 53 ASN CA . 6766 1 602 . 1 1 75 75 ASN CB C 13 38.380 0.4 . 1 . . . . 53 ASN CB . 6766 1 603 . 1 1 75 75 ASN N N 15 121.638 0.4 . 1 . . . . 53 ASN N . 6766 1 604 . 1 1 75 75 ASN ND2 N 15 121.832 0.4 . 1 . . . . 53 ASN ND2 . 6766 1 605 . 1 1 76 76 VAL H H 1 8.681 0.02 . 1 . . . . 54 VAL H . 6766 1 606 . 1 1 76 76 VAL HA H 1 3.915 0.02 . 1 . . . . 54 VAL HA . 6766 1 607 . 1 1 76 76 VAL HB H 1 1.910 0.02 . 1 . . . . 54 VAL HB . 6766 1 608 . 1 1 76 76 VAL HG11 H 1 0.927 0.02 . 1 . . . . 54 VAL HG1 . 6766 1 609 . 1 1 76 76 VAL HG12 H 1 0.927 0.02 . 1 . . . . 54 VAL HG1 . 6766 1 610 . 1 1 76 76 VAL HG13 H 1 0.927 0.02 . 1 . . . . 54 VAL HG1 . 6766 1 611 . 1 1 76 76 VAL HG21 H 1 0.957 0.02 . 1 . . . . 54 VAL HG2 . 6766 1 612 . 1 1 76 76 VAL HG22 H 1 0.957 0.02 . 1 . . . . 54 VAL HG2 . 6766 1 613 . 1 1 76 76 VAL HG23 H 1 0.957 0.02 . 1 . . . . 54 VAL HG2 . 6766 1 614 . 1 1 76 76 VAL C C 13 176.33 0.4 . 1 . . . . 54 VAL C . 6766 1 615 . 1 1 76 76 VAL CA C 13 63.925 0.4 . 1 . . . . 54 VAL CA . 6766 1 616 . 1 1 76 76 VAL CB C 13 32.093 0.4 . 1 . . . . 54 VAL CB . 6766 1 617 . 1 1 76 76 VAL CG1 C 13 21.580 0.4 . 1 . . . . 54 VAL CG1 . 6766 1 618 . 1 1 76 76 VAL CG2 C 13 22.476 0.4 . 1 . . . . 54 VAL CG2 . 6766 1 619 . 1 1 76 76 VAL N N 15 123.624 0.4 . 1 . . . . 54 VAL N . 6766 1 620 . 1 1 77 77 LEU H H 1 8.623 0.02 . 1 . . . . 55 LEU H . 6766 1 621 . 1 1 77 77 LEU HA H 1 4.581 0.02 . 1 . . . . 55 LEU HA . 6766 1 622 . 1 1 77 77 LEU HB2 H 1 1.114 0.02 . 1 . . . . 55 LEU HB2 . 6766 1 623 . 1 1 77 77 LEU HB3 H 1 1.520 0.02 . 1 . . . . 55 LEU HB3 . 6766 1 624 . 1 1 77 77 LEU HG H 1 0.801 0.02 . 1 . . . . 55 LEU HG . 6766 1 625 . 1 1 77 77 LEU HD11 H 1 0.530 0.02 . 1 . . . . 55 LEU HD1 . 6766 1 626 . 1 1 77 77 LEU HD12 H 1 0.530 0.02 . 1 . . . . 55 LEU HD1 . 6766 1 627 . 1 1 77 77 LEU HD13 H 1 0.530 0.02 . 1 . . . . 55 LEU HD1 . 6766 1 628 . 1 1 77 77 LEU HD21 H 1 0.780 0.02 . 1 . . . . 55 LEU HD2 . 6766 1 629 . 1 1 77 77 LEU HD22 H 1 0.780 0.02 . 1 . . . . 55 LEU HD2 . 6766 1 630 . 1 1 77 77 LEU HD23 H 1 0.780 0.02 . 1 . . . . 55 LEU HD2 . 6766 1 631 . 1 1 77 77 LEU C C 13 174.654 0.4 . 1 . . . . 55 LEU C . 6766 1 632 . 1 1 77 77 LEU CA C 13 53.45 0.4 . 1 . . . . 55 LEU CA . 6766 1 633 . 1 1 77 77 LEU CB C 13 44.605 0.4 . 1 . . . . 55 LEU CB . 6766 1 634 . 1 1 77 77 LEU CG C 13 26.626 0.4 . 1 . . . . 55 LEU CG . 6766 1 635 . 1 1 77 77 LEU CD1 C 13 26.049 0.4 . 1 . . . . 55 LEU CD1 . 6766 1 636 . 1 1 77 77 LEU CD2 C 13 23.623 0.4 . 1 . . . . 55 LEU CD2 . 6766 1 637 . 1 1 77 77 LEU N N 15 128.697 0.4 . 1 . . . . 55 LEU N . 6766 1 638 . 1 1 78 78 GLN H H 1 8.698 0.02 . 1 . . . . 56 GLN H . 6766 1 639 . 1 1 78 78 GLN HA H 1 4.564 0.02 . 1 . . . . 56 GLN HA . 6766 1 640 . 1 1 78 78 GLN HB2 H 1 1.829 0.02 . 1 . . . . 56 GLN HB2 . 6766 1 641 . 1 1 78 78 GLN HB3 H 1 1.829 0.02 . 1 . . . . 56 GLN HB3 . 6766 1 642 . 1 1 78 78 GLN HG2 H 1 2.257 0.02 . 1 . . . . 56 GLN HG2 . 6766 1 643 . 1 1 78 78 GLN HG3 H 1 2.257 0.02 . 1 . . . . 56 GLN HG3 . 6766 1 644 . 1 1 78 78 GLN HE21 H 1 6.819 0.02 . 1 . . . . 56 GLN HE21 . 6766 1 645 . 1 1 78 78 GLN HE22 H 1 7.390 0.02 . 1 . . . . 56 GLN HE22 . 6766 1 646 . 1 1 78 78 GLN C C 13 174.50 0.4 . 1 . . . . 56 GLN C . 6766 1 647 . 1 1 78 78 GLN CA C 13 53.598 0.4 . 1 . . . . 56 GLN CA . 6766 1 648 . 1 1 78 78 GLN CB C 13 33.192 0.4 . 1 . . . . 56 GLN CB . 6766 1 649 . 1 1 78 78 GLN N N 15 118.340 0.4 . 1 . . . . 56 GLN N . 6766 1 650 . 1 1 78 78 GLN NE2 N 15 112.379 0.4 . 1 . . . . 56 GLN NE2 . 6766 1 651 . 1 1 79 79 ASP H H 1 8.512 0.02 . 1 . . . . 57 ASP H . 6766 1 652 . 1 1 79 79 ASP HA H 1 4.415 0.02 . 1 . . . . 57 ASP HA . 6766 1 653 . 1 1 79 79 ASP HB2 H 1 2.514 0.02 . 1 . . . . 57 ASP HB2 . 6766 1 654 . 1 1 79 79 ASP HB3 H 1 2.607 0.02 . 1 . . . . 57 ASP HB3 . 6766 1 655 . 1 1 79 79 ASP C C 13 178.35 0.4 . 1 . . . . 57 ASP C . 6766 1 656 . 1 1 79 79 ASP CA C 13 56.148 0.4 . 1 . . . . 57 ASP CA . 6766 1 657 . 1 1 79 79 ASP CB C 13 40.596 0.4 . 1 . . . . 57 ASP CB . 6766 1 658 . 1 1 79 79 ASP N N 15 120.973 0.4 . 1 . . . . 57 ASP N . 6766 1 659 . 1 1 80 80 GLY H H 1 9.523 0.02 . 1 . . . . 58 GLY H . 6766 1 660 . 1 1 80 80 GLY HA2 H 1 3.859 0.02 . 1 . . . . 58 GLY HA2 . 6766 1 661 . 1 1 80 80 GLY HA3 H 1 4.503 0.02 . 1 . . . . 58 GLY HA3 . 6766 1 662 . 1 1 80 80 GLY C C 13 174.97 0.4 . 1 . . . . 58 GLY C . 6766 1 663 . 1 1 80 80 GLY CA C 13 44.807 0.4 . 1 . . . . 58 GLY CA . 6766 1 664 . 1 1 80 80 GLY N N 15 111.593 0.4 . 1 . . . . 58 GLY N . 6766 1 665 . 1 1 81 81 ASP H H 1 7.795 0.02 . 1 . . . . 59 ASP H . 6766 1 666 . 1 1 81 81 ASP HA H 1 4.679 0.02 . 1 . . . . 59 ASP HA . 6766 1 667 . 1 1 81 81 ASP HB2 H 1 2.559 0.02 . 1 . . . . 59 ASP HB2 . 6766 1 668 . 1 1 81 81 ASP HB3 H 1 2.701 0.02 . 1 . . . . 59 ASP HB3 . 6766 1 669 . 1 1 81 81 ASP C C 13 174.47 0.4 . 1 . . . . 59 ASP C . 6766 1 670 . 1 1 81 81 ASP CA C 13 55.472 0.4 . 1 . . . . 59 ASP CA . 6766 1 671 . 1 1 81 81 ASP CB C 13 41.563 0.4 . 1 . . . . 59 ASP CB . 6766 1 672 . 1 1 81 81 ASP N N 15 123.100 0.4 . 1 . . . . 59 ASP N . 6766 1 673 . 1 1 82 82 THR H H 1 8.770 0.02 . 1 . . . . 60 THR H . 6766 1 674 . 1 1 82 82 THR HA H 1 5.320 0.02 . 1 . . . . 60 THR HA . 6766 1 675 . 1 1 82 82 THR HB H 1 3.974 0.02 . 1 . . . . 60 THR HB . 6766 1 676 . 1 1 82 82 THR HG21 H 1 1.122 0.02 . 1 . . . . 60 THR HG2 . 6766 1 677 . 1 1 82 82 THR HG22 H 1 1.122 0.02 . 1 . . . . 60 THR HG2 . 6766 1 678 . 1 1 82 82 THR HG23 H 1 1.122 0.02 . 1 . . . . 60 THR HG2 . 6766 1 679 . 1 1 82 82 THR C C 13 174.43 0.4 . 1 . . . . 60 THR C . 6766 1 680 . 1 1 82 82 THR CA C 13 60.976 0.4 . 1 . . . . 60 THR CA . 6766 1 681 . 1 1 82 82 THR CB C 13 69.674 0.4 . 1 . . . . 60 THR CB . 6766 1 682 . 1 1 82 82 THR CG2 C 13 22.320 0.4 . 1 . . . . 60 THR CG2 . 6766 1 683 . 1 1 82 82 THR N N 15 115.217 0.4 . 1 . . . . 60 THR N . 6766 1 684 . 1 1 83 83 ILE H H 1 8.959 0.02 . 1 . . . . 61 ILE H . 6766 1 685 . 1 1 83 83 ILE HA H 1 5.327 0.02 . 1 . . . . 61 ILE HA . 6766 1 686 . 1 1 83 83 ILE HB H 1 1.846 0.02 . 1 . . . . 61 ILE HB . 6766 1 687 . 1 1 83 83 ILE HG12 H 1 0.902 0.02 . 1 . . . . 61 ILE HG12 . 6766 1 688 . 1 1 83 83 ILE HG13 H 1 1.434 0.02 . 1 . . . . 61 ILE HG13 . 6766 1 689 . 1 1 83 83 ILE HG21 H 1 0.742 0.02 . 1 . . . . 61 ILE HG2 . 6766 1 690 . 1 1 83 83 ILE HG22 H 1 0.742 0.02 . 1 . . . . 61 ILE HG2 . 6766 1 691 . 1 1 83 83 ILE HG23 H 1 0.742 0.02 . 1 . . . . 61 ILE HG2 . 6766 1 692 . 1 1 83 83 ILE HD11 H 1 0.658 0.02 . 1 . . . . 61 ILE HD1 . 6766 1 693 . 1 1 83 83 ILE HD12 H 1 0.658 0.02 . 1 . . . . 61 ILE HD1 . 6766 1 694 . 1 1 83 83 ILE HD13 H 1 0.658 0.02 . 1 . . . . 61 ILE HD1 . 6766 1 695 . 1 1 83 83 ILE C C 13 174.92 0.4 . 1 . . . . 61 ILE C . 6766 1 696 . 1 1 83 83 ILE CA C 13 57.170 0.4 . 1 . . . . 61 ILE CA . 6766 1 697 . 1 1 83 83 ILE CB C 13 43.692 0.4 . 1 . . . . 61 ILE CB . 6766 1 698 . 1 1 83 83 ILE CG1 C 13 27.204 0.4 . 1 . . . . 61 ILE CG1 . 6766 1 699 . 1 1 83 83 ILE CG2 C 13 21.455 0.4 . 1 . . . . 61 ILE CG2 . 6766 1 700 . 1 1 83 83 ILE CD1 C 13 15.496 0.4 . 1 . . . . 61 ILE CD1 . 6766 1 701 . 1 1 83 83 ILE N N 15 116.917 0.4 . 1 . . . . 61 ILE N . 6766 1 702 . 1 1 84 84 THR H H 1 9.132 0.02 . 1 . . . . 62 THR H . 6766 1 703 . 1 1 84 84 THR HA H 1 5.330 0.02 . 1 . . . . 62 THR HA . 6766 1 704 . 1 1 84 84 THR HB H 1 3.704 0.02 . 1 . . . . 62 THR HB . 6766 1 705 . 1 1 84 84 THR HG21 H 1 1.041 0.02 . 1 . . . . 62 THR HG2 . 6766 1 706 . 1 1 84 84 THR HG22 H 1 1.041 0.02 . 1 . . . . 62 THR HG2 . 6766 1 707 . 1 1 84 84 THR HG23 H 1 1.041 0.02 . 1 . . . . 62 THR HG2 . 6766 1 708 . 1 1 84 84 THR C C 13 174.13 0.4 . 1 . . . . 62 THR C . 6766 1 709 . 1 1 84 84 THR CA C 13 59.422 0.4 . 1 . . . . 62 THR CA . 6766 1 710 . 1 1 84 84 THR CB C 13 70.837 0.4 . 1 . . . . 62 THR CB . 6766 1 711 . 1 1 84 84 THR CG2 C 13 21.282 0.4 . 1 . . . . 62 THR CG2 . 6766 1 712 . 1 1 84 84 THR N N 15 113.641 0.4 . 1 . . . . 62 THR N . 6766 1 713 . 1 1 85 85 VAL H H 1 8.177 0.02 . 1 . . . . 63 VAL H . 6766 1 714 . 1 1 85 85 VAL HA H 1 4.430 0.02 . 1 . . . . 63 VAL HA . 6766 1 715 . 1 1 85 85 VAL HB H 1 2.051 0.02 . 1 . . . . 63 VAL HB . 6766 1 716 . 1 1 85 85 VAL HG11 H 1 0.843 0.02 . 1 . . . . 63 VAL HG1 . 6766 1 717 . 1 1 85 85 VAL HG12 H 1 0.843 0.02 . 1 . . . . 63 VAL HG1 . 6766 1 718 . 1 1 85 85 VAL HG13 H 1 0.843 0.02 . 1 . . . . 63 VAL HG1 . 6766 1 719 . 1 1 85 85 VAL HG21 H 1 1.098 0.02 . 1 . . . . 63 VAL HG2 . 6766 1 720 . 1 1 85 85 VAL HG22 H 1 1.098 0.02 . 1 . . . . 63 VAL HG2 . 6766 1 721 . 1 1 85 85 VAL HG23 H 1 1.098 0.02 . 1 . . . . 63 VAL HG2 . 6766 1 722 . 1 1 85 85 VAL C C 13 178.13 0.4 . 1 . . . . 63 VAL C . 6766 1 723 . 1 1 85 85 VAL CA C 13 62.913 0.4 . 1 . . . . 63 VAL CA . 6766 1 724 . 1 1 85 85 VAL CB C 13 32.928 0.4 . 1 . . . . 63 VAL CB . 6766 1 725 . 1 1 85 85 VAL CG1 C 13 21.664 0.4 . 1 . . . . 63 VAL CG1 . 6766 1 726 . 1 1 85 85 VAL CG2 C 13 22.695 0.4 . 1 . . . . 63 VAL CG2 . 6766 1 727 . 1 1 85 85 VAL N N 15 125.029 0.4 . 1 . . . . 63 VAL N . 6766 1 728 . 1 1 86 86 ILE H H 1 8.436 0.02 . 1 . . . . 64 ILE H . 6766 1 729 . 1 1 86 86 ILE HA H 1 4.496 0.02 . 1 . . . . 64 ILE HA . 6766 1 730 . 1 1 86 86 ILE HB H 1 2.324 0.02 . 1 . . . . 64 ILE HB . 6766 1 731 . 1 1 86 86 ILE HG12 H 1 1.117 0.02 . 1 . . . . 64 ILE HG12 . 6766 1 732 . 1 1 86 86 ILE HG13 H 1 1.117 0.02 . 1 . . . . 64 ILE HG13 . 6766 1 733 . 1 1 86 86 ILE HG21 H 1 0.770 0.02 . 1 . . . . 64 ILE HG2 . 6766 1 734 . 1 1 86 86 ILE HG22 H 1 0.770 0.02 . 1 . . . . 64 ILE HG2 . 6766 1 735 . 1 1 86 86 ILE HG23 H 1 0.770 0.02 . 1 . . . . 64 ILE HG2 . 6766 1 736 . 1 1 86 86 ILE HD11 H 1 0.984 0.02 . 1 . . . . 64 ILE HD1 . 6766 1 737 . 1 1 86 86 ILE HD12 H 1 0.984 0.02 . 1 . . . . 64 ILE HD1 . 6766 1 738 . 1 1 86 86 ILE HD13 H 1 0.984 0.02 . 1 . . . . 64 ILE HD1 . 6766 1 739 . 1 1 86 86 ILE C C 13 174.59 0.4 . 1 . . . . 64 ILE C . 6766 1 740 . 1 1 86 86 ILE CA C 13 61.663 0.4 . 1 . . . . 64 ILE CA . 6766 1 741 . 1 1 86 86 ILE CB C 13 38.115 0.4 . 1 . . . . 64 ILE CB . 6766 1 742 . 1 1 86 86 ILE CG1 C 13 26.540 0.4 . 1 . . . . 64 ILE CG1 . 6766 1 743 . 1 1 86 86 ILE CG2 C 13 19.653 0.4 . 1 . . . . 64 ILE CG2 . 6766 1 744 . 1 1 86 86 ILE CD1 C 13 14.863 0.4 . 1 . . . . 64 ILE CD1 . 6766 1 745 . 1 1 86 86 ILE N N 15 118.595 0.4 . 1 . . . . 64 ILE N . 6766 1 746 . 1 1 87 87 LYS H H 1 7.568 0.02 . 1 . . . . 65 LYS H . 6766 1 747 . 1 1 87 87 LYS HA H 1 4.352 0.02 . 1 . . . . 65 LYS HA . 6766 1 748 . 1 1 87 87 LYS HB2 H 1 1.627 0.02 . 1 . . . . 65 LYS HB2 . 6766 1 749 . 1 1 87 87 LYS HB3 H 1 1.627 0.02 . 1 . . . . 65 LYS HB3 . 6766 1 750 . 1 1 87 87 LYS HG2 H 1 1.122 0.02 . 1 . . . . 65 LYS HG2 . 6766 1 751 . 1 1 87 87 LYS HG3 H 1 1.122 0.02 . 1 . . . . 65 LYS HG3 . 6766 1 752 . 1 1 87 87 LYS HD2 H 1 1.217 0.02 . 1 . . . . 65 LYS HD2 . 6766 1 753 . 1 1 87 87 LYS HD3 H 1 1.369 0.02 . 1 . . . . 65 LYS HD3 . 6766 1 754 . 1 1 87 87 LYS HE2 H 1 2.426 0.02 . 1 . . . . 65 LYS HE2 . 6766 1 755 . 1 1 87 87 LYS HE3 H 1 2.594 0.02 . 1 . . . . 65 LYS HE3 . 6766 1 756 . 1 1 87 87 LYS C C 13 172.28 0.4 . 1 . . . . 65 LYS C . 6766 1 757 . 1 1 87 87 LYS CA C 13 54.751 0.4 . 1 . . . . 65 LYS CA . 6766 1 758 . 1 1 87 87 LYS CB C 13 35.545 0.4 . 1 . . . . 65 LYS CB . 6766 1 759 . 1 1 87 87 LYS CG C 13 23.514 0.4 . 1 . . . . 65 LYS CG . 6766 1 760 . 1 1 87 87 LYS CD C 13 29.392 0.4 . 1 . . . . 65 LYS CD . 6766 1 761 . 1 1 87 87 LYS CE C 13 41.672 0.4 . 1 . . . . 65 LYS CE . 6766 1 762 . 1 1 87 87 LYS N N 15 120.700 0.4 . 1 . . . . 65 LYS N . 6766 1 763 . 1 1 88 88 ASP H H 1 8.145 0.02 . 1 . . . . 66 ASP H . 6766 1 764 . 1 1 88 88 ASP HA H 1 4.940 0.02 . 1 . . . . 66 ASP HA . 6766 1 765 . 1 1 88 88 ASP HB2 H 1 2.236 0.02 . 1 . . . . 66 ASP HB2 . 6766 1 766 . 1 1 88 88 ASP HB3 H 1 2.446 0.02 . 1 . . . . 66 ASP HB3 . 6766 1 767 . 1 1 88 88 ASP C C 13 176.89 0.4 . 1 . . . . 66 ASP C . 6766 1 768 . 1 1 88 88 ASP CA C 13 54.455 0.4 . 1 . . . . 66 ASP CA . 6766 1 769 . 1 1 88 88 ASP CB C 13 40.736 0.4 . 1 . . . . 66 ASP CB . 6766 1 770 . 1 1 88 88 ASP N N 15 119.912 0.4 . 1 . . . . 66 ASP N . 6766 1 771 . 1 1 89 89 LEU H H 1 8.857 0.02 . 1 . . . . 67 LEU H . 6766 1 772 . 1 1 89 89 LEU HA H 1 4.564 0.02 . 1 . . . . 67 LEU HA . 6766 1 773 . 1 1 89 89 LEU HB2 H 1 1.389 0.02 . 1 . . . . 67 LEU HB2 . 6766 1 774 . 1 1 89 89 LEU HB3 H 1 1.499 0.02 . 1 . . . . 67 LEU HB3 . 6766 1 775 . 1 1 89 89 LEU HG H 1 1.721 0.02 . 1 . . . . 67 LEU HG . 6766 1 776 . 1 1 89 89 LEU HD11 H 1 0.644 0.02 . 1 . . . . 67 LEU HD1 . 6766 1 777 . 1 1 89 89 LEU HD12 H 1 0.644 0.02 . 1 . . . . 67 LEU HD1 . 6766 1 778 . 1 1 89 89 LEU HD13 H 1 0.644 0.02 . 1 . . . . 67 LEU HD1 . 6766 1 779 . 1 1 89 89 LEU HD21 H 1 0.800 0.02 . 1 . . . . 67 LEU HD2 . 6766 1 780 . 1 1 89 89 LEU HD22 H 1 0.800 0.02 . 1 . . . . 67 LEU HD2 . 6766 1 781 . 1 1 89 89 LEU HD23 H 1 0.800 0.02 . 1 . . . . 67 LEU HD2 . 6766 1 782 . 1 1 89 89 LEU C C 13 175.47 0.4 . 1 . . . . 67 LEU C . 6766 1 783 . 1 1 89 89 LEU CA C 13 53.407 0.4 . 1 . . . . 67 LEU CA . 6766 1 784 . 1 1 89 89 LEU CB C 13 44.316 0.4 . 1 . . . . 67 LEU CB . 6766 1 785 . 1 1 89 89 LEU CG C 13 25.651 0.4 . 1 . . . . 67 LEU CG . 6766 1 786 . 1 1 89 89 LEU CD1 C 13 20.902 0.4 . 1 . . . . 67 LEU CD1 . 6766 1 787 . 1 1 89 89 LEU CD2 C 13 26.633 0.4 . 1 . . . . 67 LEU CD2 . 6766 1 788 . 1 1 89 89 LEU N N 15 123.840 0.4 . 1 . . . . 67 LEU N . 6766 1 789 . 1 1 90 90 LYS H H 1 8.375 0.02 . 1 . . . . 68 LYS H . 6766 1 790 . 1 1 90 90 LYS HA H 1 4.382 0.02 . 1 . . . . 68 LYS HA . 6766 1 791 . 1 1 90 90 LYS HB2 H 1 1.651 0.02 . 1 . . . . 68 LYS HB2 . 6766 1 792 . 1 1 90 90 LYS HB3 H 1 1.822 0.02 . 1 . . . . 68 LYS HB3 . 6766 1 793 . 1 1 90 90 LYS HG2 H 1 1.335 0.02 . 1 . . . . 68 LYS HG2 . 6766 1 794 . 1 1 90 90 LYS HG3 H 1 1.442 0.02 . 1 . . . . 68 LYS HG3 . 6766 1 795 . 1 1 90 90 LYS HD2 H 1 1.55 0.02 . 1 . . . . 68 LYS HD2 . 6766 1 796 . 1 1 90 90 LYS HD3 H 1 1.55 0.02 . 1 . . . . 68 LYS HD3 . 6766 1 797 . 1 1 90 90 LYS HE2 H 1 2.941 0.02 . 1 . . . . 68 LYS HE2 . 6766 1 798 . 1 1 90 90 LYS HE3 H 1 2.941 0.02 . 1 . . . . 68 LYS HE3 . 6766 1 799 . 1 1 90 90 LYS C C 13 176.17 0.4 . 1 . . . . 68 LYS C . 6766 1 800 . 1 1 90 90 LYS CA C 13 56.194 0.4 . 1 . . . . 68 LYS CA . 6766 1 801 . 1 1 90 90 LYS CB C 13 32.914 0.4 . 1 . . . . 68 LYS CB . 6766 1 802 . 1 1 90 90 LYS CG C 13 25.145 0.4 . 1 . . . . 68 LYS CG . 6766 1 803 . 1 1 90 90 LYS CD C 13 29.300 0.4 . 1 . . . . 68 LYS CD . 6766 1 804 . 1 1 90 90 LYS CE C 13 41.906 0.4 . 1 . . . . 68 LYS CE . 6766 1 805 . 1 1 90 90 LYS N N 15 123.800 0.4 . 1 . . . . 68 LYS N . 6766 1 806 . 1 1 91 91 VAL H H 1 8.193 0.02 . 1 . . . . 69 VAL H . 6766 1 807 . 1 1 91 91 VAL HA H 1 3.955 0.02 . 1 . . . . 69 VAL HA . 6766 1 808 . 1 1 91 91 VAL HB H 1 1.918 0.02 . 1 . . . . 69 VAL HB . 6766 1 809 . 1 1 91 91 VAL HG11 H 1 0.778 0.02 . 1 . . . . 69 VAL HG1 . 6766 1 810 . 1 1 91 91 VAL HG12 H 1 0.778 0.02 . 1 . . . . 69 VAL HG1 . 6766 1 811 . 1 1 91 91 VAL HG13 H 1 0.778 0.02 . 1 . . . . 69 VAL HG1 . 6766 1 812 . 1 1 91 91 VAL HG21 H 1 0.901 0.02 . 1 . . . . 69 VAL HG2 . 6766 1 813 . 1 1 91 91 VAL HG22 H 1 0.901 0.02 . 1 . . . . 69 VAL HG2 . 6766 1 814 . 1 1 91 91 VAL HG23 H 1 0.901 0.02 . 1 . . . . 69 VAL HG2 . 6766 1 815 . 1 1 91 91 VAL C C 13 175.99 0.4 . 1 . . . . 69 VAL C . 6766 1 816 . 1 1 91 91 VAL CA C 13 61.991 0.4 . 1 . . . . 69 VAL CA . 6766 1 817 . 1 1 91 91 VAL CB C 13 32.112 0.4 . 1 . . . . 69 VAL CB . 6766 1 818 . 1 1 91 91 VAL CG1 C 13 21.555 0.4 . 1 . . . . 69 VAL CG1 . 6766 1 819 . 1 1 91 91 VAL CG2 C 13 21.876 0.4 . 1 . . . . 69 VAL CG2 . 6766 1 820 . 1 1 91 91 VAL N N 15 125.557 0.4 . 1 . . . . 69 VAL N . 6766 1 821 . 1 1 92 92 LYS H H 1 8.564 0.02 . 1 . . . . 70 LYS H . 6766 1 822 . 1 1 92 92 LYS HA H 1 4.046 0.02 . 1 . . . . 70 LYS HA . 6766 1 823 . 1 1 92 92 LYS HB2 H 1 1.770 0.02 . 1 . . . . 70 LYS HB2 . 6766 1 824 . 1 1 92 92 LYS HB3 H 1 1.803 0.02 . 1 . . . . 70 LYS HB3 . 6766 1 825 . 1 1 92 92 LYS HG2 H 1 1.400 0.02 . 1 . . . . 70 LYS HG2 . 6766 1 826 . 1 1 92 92 LYS HG3 H 1 1.470 0.02 . 1 . . . . 70 LYS HG3 . 6766 1 827 . 1 1 92 92 LYS HD2 H 1 1.690 0.02 . 1 . . . . 70 LYS HD2 . 6766 1 828 . 1 1 92 92 LYS HD3 H 1 1.690 0.02 . 1 . . . . 70 LYS HD3 . 6766 1 829 . 1 1 92 92 LYS HE2 H 1 2.980 0.02 . 1 . . . . 70 LYS HE2 . 6766 1 830 . 1 1 92 92 LYS HE3 H 1 2.980 0.02 . 1 . . . . 70 LYS HE3 . 6766 1 831 . 1 1 92 92 LYS C C 13 177.72 0.4 . 1 . . . . 70 LYS C . 6766 1 832 . 1 1 92 92 LYS CA C 13 57.957 0.4 . 1 . . . . 70 LYS CA . 6766 1 833 . 1 1 92 92 LYS CB C 13 32.100 0.4 . 1 . . . . 70 LYS CB . 6766 1 834 . 1 1 92 92 LYS CG C 13 25.000 0.4 . 1 . . . . 70 LYS CG . 6766 1 835 . 1 1 92 92 LYS CD C 13 29.424 0.4 . 1 . . . . 70 LYS CD . 6766 1 836 . 1 1 92 92 LYS CE C 13 42.250 0.4 . 1 . . . . 70 LYS CE . 6766 1 837 . 1 1 92 92 LYS N N 15 129.107 0.4 . 1 . . . . 70 LYS N . 6766 1 838 . 1 1 93 93 GLY H H 1 8.900 0.02 . 1 . . . . 71 GLY H . 6766 1 839 . 1 1 93 93 GLY HA2 H 1 3.766 0.02 . 1 . . . . 71 GLY HA2 . 6766 1 840 . 1 1 93 93 GLY HA3 H 1 4.101 0.02 . 1 . . . . 71 GLY HA3 . 6766 1 841 . 1 1 93 93 GLY C C 13 173.63 0.4 . 1 . . . . 71 GLY C . 6766 1 842 . 1 1 93 93 GLY CA C 13 45.751 0.4 . 1 . . . . 71 GLY CA . 6766 1 843 . 1 1 93 93 GLY N N 15 113.095 0.4 . 1 . . . . 71 GLY N . 6766 1 844 . 1 1 94 94 SER H H 1 7.900 0.02 . 1 . . . . 72 SER H . 6766 1 845 . 1 1 94 94 SER HA H 1 4.809 0.02 . 1 . . . . 72 SER HA . 6766 1 846 . 1 1 94 94 SER HB2 H 1 3.600 0.02 . 1 . . . . 72 SER HB2 . 6766 1 847 . 1 1 94 94 SER HB3 H 1 3.880 0.02 . 1 . . . . 72 SER HB3 . 6766 1 848 . 1 1 94 94 SER C C 13 173.52 0.4 . 1 . . . . 72 SER C . 6766 1 849 . 1 1 94 94 SER CA C 13 56.164 0.4 . 1 . . . . 72 SER CA . 6766 1 850 . 1 1 94 94 SER CB C 13 65.272 0.4 . 1 . . . . 72 SER CB . 6766 1 851 . 1 1 94 94 SER N N 15 114.147 0.4 . 1 . . . . 72 SER N . 6766 1 852 . 1 1 95 95 SER H H 1 8.471 0.02 . 1 . . . . 73 SER H . 6766 1 853 . 1 1 95 95 SER HA H 1 4.588 0.02 . 1 . . . . 73 SER HA . 6766 1 854 . 1 1 95 95 SER HB2 H 1 3.883 0.02 . 1 . . . . 73 SER HB2 . 6766 1 855 . 1 1 95 95 SER HB3 H 1 3.983 0.02 . 1 . . . . 73 SER HB3 . 6766 1 856 . 1 1 95 95 SER C C 13 174.59 0.4 . 1 . . . . 73 SER C . 6766 1 857 . 1 1 95 95 SER CA C 13 58.135 0.4 . 1 . . . . 73 SER CA . 6766 1 858 . 1 1 95 95 SER CB C 13 63.652 0.4 . 1 . . . . 73 SER CB . 6766 1 859 . 1 1 95 95 SER N N 15 116.292 0.4 . 1 . . . . 73 SER N . 6766 1 860 . 1 1 96 96 LEU H H 1 8.207 0.02 . 1 . . . . 74 LEU H . 6766 1 861 . 1 1 96 96 LEU HA H 1 4.290 0.02 . 1 . . . . 74 LEU HA . 6766 1 862 . 1 1 96 96 LEU HB2 H 1 1.312 0.02 . 1 . . . . 74 LEU HB2 . 6766 1 863 . 1 1 96 96 LEU HB3 H 1 1.599 0.02 . 1 . . . . 74 LEU HB3 . 6766 1 864 . 1 1 96 96 LEU HG H 1 1.583 0.02 . 1 . . . . 74 LEU HG . 6766 1 865 . 1 1 96 96 LEU HD11 H 1 0.859 0.02 . 1 . . . . 74 LEU HD1 . 6766 1 866 . 1 1 96 96 LEU HD12 H 1 0.859 0.02 . 1 . . . . 74 LEU HD1 . 6766 1 867 . 1 1 96 96 LEU HD13 H 1 0.859 0.02 . 1 . . . . 74 LEU HD1 . 6766 1 868 . 1 1 96 96 LEU HD21 H 1 0.928 0.02 . 1 . . . . 74 LEU HD2 . 6766 1 869 . 1 1 96 96 LEU HD22 H 1 0.928 0.02 . 1 . . . . 74 LEU HD2 . 6766 1 870 . 1 1 96 96 LEU HD23 H 1 0.928 0.02 . 1 . . . . 74 LEU HD2 . 6766 1 871 . 1 1 96 96 LEU C C 13 175.73 0.4 . 1 . . . . 74 LEU C . 6766 1 872 . 1 1 96 96 LEU CA C 13 55.297 0.4 . 1 . . . . 74 LEU CA . 6766 1 873 . 1 1 96 96 LEU CB C 13 42.662 0.4 . 1 . . . . 74 LEU CB . 6766 1 874 . 1 1 96 96 LEU CG C 13 27.150 0.4 . 1 . . . . 74 LEU CG . 6766 1 875 . 1 1 96 96 LEU CD1 C 13 25.464 0.4 . 1 . . . . 74 LEU CD1 . 6766 1 876 . 1 1 96 96 LEU CD2 C 13 23.318 0.4 . 1 . . . . 74 LEU CD2 . 6766 1 877 . 1 1 96 96 LEU N N 15 123.465 0.4 . 1 . . . . 74 LEU N . 6766 1 878 . 1 1 97 97 VAL H H 1 7.963 0.02 . 1 . . . . 75 VAL H . 6766 1 879 . 1 1 97 97 VAL HA H 1 4.574 0.02 . 1 . . . . 75 VAL HA . 6766 1 880 . 1 1 97 97 VAL HB H 1 1.767 0.02 . 1 . . . . 75 VAL HB . 6766 1 881 . 1 1 97 97 VAL HG11 H 1 0.645 0.02 . 1 . . . . 75 VAL HG1 . 6766 1 882 . 1 1 97 97 VAL HG12 H 1 0.645 0.02 . 1 . . . . 75 VAL HG1 . 6766 1 883 . 1 1 97 97 VAL HG13 H 1 0.645 0.02 . 1 . . . . 75 VAL HG1 . 6766 1 884 . 1 1 97 97 VAL HG21 H 1 0.808 0.02 . 1 . . . . 75 VAL HG2 . 6766 1 885 . 1 1 97 97 VAL HG22 H 1 0.808 0.02 . 1 . . . . 75 VAL HG2 . 6766 1 886 . 1 1 97 97 VAL HG23 H 1 0.808 0.02 . 1 . . . . 75 VAL HG2 . 6766 1 887 . 1 1 97 97 VAL C C 13 175.56 0.4 . 1 . . . . 75 VAL C . 6766 1 888 . 1 1 97 97 VAL CA C 13 60.077 0.4 . 1 . . . . 75 VAL CA . 6766 1 889 . 1 1 97 97 VAL CB C 13 35.626 0.4 . 1 . . . . 75 VAL CB . 6766 1 890 . 1 1 97 97 VAL CG1 C 13 20.878 0.4 . 1 . . . . 75 VAL CG1 . 6766 1 891 . 1 1 97 97 VAL CG2 C 13 21.346 0.4 . 1 . . . . 75 VAL CG2 . 6766 1 892 . 1 1 97 97 VAL N N 15 120.427 0.4 . 1 . . . . 75 VAL N . 6766 1 893 . 1 1 98 98 VAL H H 1 9.008 0.02 . 1 . . . . 76 VAL H . 6766 1 894 . 1 1 98 98 VAL HA H 1 4.013 0.02 . 1 . . . . 76 VAL HA . 6766 1 895 . 1 1 98 98 VAL HB H 1 2.125 0.02 . 1 . . . . 76 VAL HB . 6766 1 896 . 1 1 98 98 VAL HG11 H 1 0.810 0.02 . 1 . . . . 76 VAL HG1 . 6766 1 897 . 1 1 98 98 VAL HG12 H 1 0.810 0.02 . 1 . . . . 76 VAL HG1 . 6766 1 898 . 1 1 98 98 VAL HG13 H 1 0.810 0.02 . 1 . . . . 76 VAL HG1 . 6766 1 899 . 1 1 98 98 VAL HG21 H 1 0.901 0.02 . 1 . . . . 76 VAL HG2 . 6766 1 900 . 1 1 98 98 VAL HG22 H 1 0.901 0.02 . 1 . . . . 76 VAL HG2 . 6766 1 901 . 1 1 98 98 VAL HG23 H 1 0.901 0.02 . 1 . . . . 76 VAL HG2 . 6766 1 902 . 1 1 98 98 VAL C C 13 174.90 0.4 . 1 . . . . 76 VAL C . 6766 1 903 . 1 1 98 98 VAL CA C 13 61.397 0.4 . 1 . . . . 76 VAL CA . 6766 1 904 . 1 1 98 98 VAL CB C 13 31.515 0.4 . 1 . . . . 76 VAL CB . 6766 1 905 . 1 1 98 98 VAL CG1 C 13 21.566 0.4 . 1 . . . . 76 VAL CG1 . 6766 1 906 . 1 1 98 98 VAL CG2 C 13 21.862 0.4 . 1 . . . . 76 VAL CG2 . 6766 1 907 . 1 1 98 98 VAL N N 15 127.469 0.4 . 1 . . . . 76 VAL N . 6766 1 908 . 1 1 99 99 LYS H H 1 8.085 0.02 . 1 . . . . 77 LYS H . 6766 1 909 . 1 1 99 99 LYS HA H 1 4.411 0.02 . 1 . . . . 77 LYS HA . 6766 1 910 . 1 1 99 99 LYS HB2 H 1 1.609 0.02 . 1 . . . . 77 LYS HB2 . 6766 1 911 . 1 1 99 99 LYS HB3 H 1 1.776 0.02 . 1 . . . . 77 LYS HB3 . 6766 1 912 . 1 1 99 99 LYS HG2 H 1 1.414 0.02 . 1 . . . . 77 LYS HG2 . 6766 1 913 . 1 1 99 99 LYS HG3 H 1 1.492 0.02 . 1 . . . . 77 LYS HG3 . 6766 1 914 . 1 1 99 99 LYS HD2 H 1 1.600 0.02 . 1 . . . . 77 LYS HD2 . 6766 1 915 . 1 1 99 99 LYS HD3 H 1 1.633 0.02 . 1 . . . . 77 LYS HD3 . 6766 1 916 . 1 1 99 99 LYS HE2 H 1 2.997 0.02 . 1 . . . . 77 LYS HE2 . 6766 1 917 . 1 1 99 99 LYS HE3 H 1 2.997 0.02 . 1 . . . . 77 LYS HE3 . 6766 1 918 . 1 1 99 99 LYS C C 13 178.55 0.4 . 1 . . . . 77 LYS C . 6766 1 919 . 1 1 99 99 LYS CA C 13 55.375 0.4 . 1 . . . . 77 LYS CA . 6766 1 920 . 1 1 99 99 LYS CB C 13 33.451 0.4 . 1 . . . . 77 LYS CB . 6766 1 921 . 1 1 99 99 LYS CG C 13 24.886 0.4 . 1 . . . . 77 LYS CG . 6766 1 922 . 1 1 99 99 LYS CD C 13 28.367 0.4 . 1 . . . . 77 LYS CD . 6766 1 923 . 1 1 99 99 LYS CE C 13 41.600 0.4 . 1 . . . . 77 LYS CE . 6766 1 924 . 1 1 99 99 LYS N N 15 125.302 0.4 . 1 . . . . 77 LYS N . 6766 1 925 . 1 1 100 100 VAL H H 1 8.731 0.02 . 1 . . . . 78 VAL H . 6766 1 926 . 1 1 100 100 VAL HA H 1 3.395 0.02 . 1 . . . . 78 VAL HA . 6766 1 927 . 1 1 100 100 VAL HB H 1 1.828 0.02 . 1 . . . . 78 VAL HB . 6766 1 928 . 1 1 100 100 VAL HG11 H 1 0.857 0.02 . 1 . . . . 78 VAL HG1 . 6766 1 929 . 1 1 100 100 VAL HG12 H 1 0.857 0.02 . 1 . . . . 78 VAL HG1 . 6766 1 930 . 1 1 100 100 VAL HG13 H 1 0.857 0.02 . 1 . . . . 78 VAL HG1 . 6766 1 931 . 1 1 100 100 VAL HG21 H 1 0.892 0.02 . 1 . . . . 78 VAL HG2 . 6766 1 932 . 1 1 100 100 VAL HG22 H 1 0.892 0.02 . 1 . . . . 78 VAL HG2 . 6766 1 933 . 1 1 100 100 VAL HG23 H 1 0.892 0.02 . 1 . . . . 78 VAL HG2 . 6766 1 934 . 1 1 100 100 VAL C C 13 175.60 0.4 . 1 . . . . 78 VAL C . 6766 1 935 . 1 1 100 100 VAL CA C 13 63.504 0.4 . 1 . . . . 78 VAL CA . 6766 1 936 . 1 1 100 100 VAL CB C 13 31.561 0.4 . 1 . . . . 78 VAL CB . 6766 1 937 . 1 1 100 100 VAL CG1 C 13 22.110 0.4 . 1 . . . . 78 VAL CG1 . 6766 1 938 . 1 1 100 100 VAL CG2 C 13 20.183 0.4 . 1 . . . . 78 VAL CG2 . 6766 1 939 . 1 1 100 100 VAL N N 15 122.611 0.4 . 1 . . . . 78 VAL N . 6766 1 940 . 1 1 101 101 GLY H H 1 8.780 0.02 . 1 . . . . 79 GLY H . 6766 1 941 . 1 1 101 101 GLY HA2 H 1 3.544 0.02 . 1 . . . . 79 GLY HA2 . 6766 1 942 . 1 1 101 101 GLY HA3 H 1 4.359 0.02 . 1 . . . . 79 GLY HA3 . 6766 1 943 . 1 1 101 101 GLY C C 13 174.58 0.4 . 1 . . . . 79 GLY C . 6766 1 944 . 1 1 101 101 GLY CA C 13 44.457 0.4 . 1 . . . . 79 GLY CA . 6766 1 945 . 1 1 101 101 GLY N N 15 115.143 0.4 . 1 . . . . 79 GLY N . 6766 1 946 . 1 1 102 102 THR H H 1 7.789 0.02 . 1 . . . . 80 THR H . 6766 1 947 . 1 1 102 102 THR HA H 1 3.923 0.02 . 1 . . . . 80 THR HA . 6766 1 948 . 1 1 102 102 THR HB H 1 3.784 0.02 . 1 . . . . 80 THR HB . 6766 1 949 . 1 1 102 102 THR HG21 H 1 1.177 0.02 . 1 . . . . 80 THR HG2 . 6766 1 950 . 1 1 102 102 THR HG22 H 1 1.177 0.02 . 1 . . . . 80 THR HG2 . 6766 1 951 . 1 1 102 102 THR HG23 H 1 1.177 0.02 . 1 . . . . 80 THR HG2 . 6766 1 952 . 1 1 102 102 THR C C 13 172.81 0.4 . 1 . . . . 80 THR C . 6766 1 953 . 1 1 102 102 THR CA C 13 65.383 0.4 . 1 . . . . 80 THR CA . 6766 1 954 . 1 1 102 102 THR CB C 13 69.363 0.4 . 1 . . . . 80 THR CB . 6766 1 955 . 1 1 102 102 THR CG2 C 13 21.041 0.4 . 1 . . . . 80 THR CG2 . 6766 1 956 . 1 1 102 102 THR N N 15 118.595 0.4 . 1 . . . . 80 THR N . 6766 1 957 . 1 1 103 103 LYS H H 1 8.755 0.02 . 1 . . . . 81 LYS H . 6766 1 958 . 1 1 103 103 LYS HA H 1 5.077 0.02 . 1 . . . . 81 LYS HA . 6766 1 959 . 1 1 103 103 LYS HB2 H 1 1.620 0.02 . 1 . . . . 81 LYS HB2 . 6766 1 960 . 1 1 103 103 LYS HB3 H 1 1.788 0.02 . 1 . . . . 81 LYS HB3 . 6766 1 961 . 1 1 103 103 LYS HG2 H 1 1.247 0.02 . 1 . . . . 81 LYS HG2 . 6766 1 962 . 1 1 103 103 LYS HG3 H 1 1.434 0.02 . 1 . . . . 81 LYS HG3 . 6766 1 963 . 1 1 103 103 LYS HD2 H 1 1.678 0.02 . 1 . . . . 81 LYS HD2 . 6766 1 964 . 1 1 103 103 LYS HD3 H 1 1.678 0.02 . 1 . . . . 81 LYS HD3 . 6766 1 965 . 1 1 103 103 LYS HE2 H 1 2.946 0.02 . 1 . . . . 81 LYS HE2 . 6766 1 966 . 1 1 103 103 LYS HE3 H 1 2.946 0.02 . 1 . . . . 81 LYS HE3 . 6766 1 967 . 1 1 103 103 LYS C C 13 175.76 0.4 . 1 . . . . 81 LYS C . 6766 1 968 . 1 1 103 103 LYS CA C 13 55.259 0.4 . 1 . . . . 81 LYS CA . 6766 1 969 . 1 1 103 103 LYS CB C 13 33.645 0.4 . 1 . . . . 81 LYS CB . 6766 1 970 . 1 1 103 103 LYS CG C 13 25.341 0.4 . 1 . . . . 81 LYS CG . 6766 1 971 . 1 1 103 103 LYS CD C 13 29.401 0.4 . 1 . . . . 81 LYS CD . 6766 1 972 . 1 1 103 103 LYS CE C 13 42.156 0.4 . 1 . . . . 81 LYS CE . 6766 1 973 . 1 1 103 103 LYS N N 15 129.027 0.4 . 1 . . . . 81 LYS N . 6766 1 974 . 1 1 104 104 VAL H H 1 9.172 0.02 . 1 . . . . 82 VAL H . 6766 1 975 . 1 1 104 104 VAL HA H 1 4.294 0.02 . 1 . . . . 82 VAL HA . 6766 1 976 . 1 1 104 104 VAL HB H 1 1.755 0.02 . 1 . . . . 82 VAL HB . 6766 1 977 . 1 1 104 104 VAL HG11 H 1 0.700 0.02 . 1 . . . . 82 VAL HG1 . 6766 1 978 . 1 1 104 104 VAL HG12 H 1 0.700 0.02 . 1 . . . . 82 VAL HG1 . 6766 1 979 . 1 1 104 104 VAL HG13 H 1 0.700 0.02 . 1 . . . . 82 VAL HG1 . 6766 1 980 . 1 1 104 104 VAL HG21 H 1 0.913 0.02 . 1 . . . . 82 VAL HG2 . 6766 1 981 . 1 1 104 104 VAL HG22 H 1 0.913 0.02 . 1 . . . . 82 VAL HG2 . 6766 1 982 . 1 1 104 104 VAL HG23 H 1 0.913 0.02 . 1 . . . . 82 VAL HG2 . 6766 1 983 . 1 1 104 104 VAL C C 13 174.14 0.4 . 1 . . . . 82 VAL C . 6766 1 984 . 1 1 104 104 VAL CA C 13 61.345 0.4 . 1 . . . . 82 VAL CA . 6766 1 985 . 1 1 104 104 VAL CB C 13 33.613 0.4 . 1 . . . . 82 VAL CB . 6766 1 986 . 1 1 104 104 VAL CG1 C 13 20.768 0.4 . 1 . . . . 82 VAL CG1 . 6766 1 987 . 1 1 104 104 VAL CG2 C 13 21.892 0.4 . 1 . . . . 82 VAL CG2 . 6766 1 988 . 1 1 104 104 VAL N N 15 126.354 0.4 . 1 . . . . 82 VAL N . 6766 1 989 . 1 1 105 105 LYS H H 1 8.597 0.02 . 1 . . . . 83 LYS H . 6766 1 990 . 1 1 105 105 LYS HA H 1 4.727 0.02 . 1 . . . . 83 LYS HA . 6766 1 991 . 1 1 105 105 LYS HB2 H 1 1.709 0.02 . 1 . . . . 83 LYS HB2 . 6766 1 992 . 1 1 105 105 LYS HB3 H 1 1.800 0.02 . 1 . . . . 83 LYS HB3 . 6766 1 993 . 1 1 105 105 LYS HG2 H 1 1.504 0.02 . 1 . . . . 83 LYS HG2 . 6766 1 994 . 1 1 105 105 LYS HG3 H 1 1.504 0.02 . 1 . . . . 83 LYS HG3 . 6766 1 995 . 1 1 105 105 LYS HD2 H 1 1.690 0.02 . 1 . . . . 83 LYS HD2 . 6766 1 996 . 1 1 105 105 LYS HD3 H 1 1.690 0.02 . 1 . . . . 83 LYS HD3 . 6766 1 997 . 1 1 105 105 LYS HE2 H 1 2.962 0.02 . 1 . . . . 83 LYS HE2 . 6766 1 998 . 1 1 105 105 LYS HE3 H 1 2.962 0.02 . 1 . . . . 83 LYS HE3 . 6766 1 999 . 1 1 105 105 LYS C C 13 176.12 0.4 . 1 . . . . 83 LYS C . 6766 1 1000 . 1 1 105 105 LYS CA C 13 55.338 0.4 . 1 . . . . 83 LYS CA . 6766 1 1001 . 1 1 105 105 LYS CB C 13 34.946 0.4 . 1 . . . . 83 LYS CB . 6766 1 1002 . 1 1 105 105 LYS CG C 13 24.957 0.4 . 1 . . . . 83 LYS CG . 6766 1 1003 . 1 1 105 105 LYS CD C 13 29.424 0.4 . 1 . . . . 83 LYS CD . 6766 1 1004 . 1 1 105 105 LYS CE C 13 41.900 0.4 . 1 . . . . 83 LYS CE . 6766 1 1005 . 1 1 105 105 LYS N N 15 124.602 0.4 . 1 . . . . 83 LYS N . 6766 1 1006 . 1 1 106 106 ASN H H 1 8.643 0.02 . 1 . . . . 84 ASN H . 6766 1 1007 . 1 1 106 106 ASN HA H 1 4.052 0.02 . 1 . . . . 84 ASN HA . 6766 1 1008 . 1 1 106 106 ASN HB2 H 1 2.566 0.02 . 1 . . . . 84 ASN HB2 . 6766 1 1009 . 1 1 106 106 ASN HB3 H 1 3.109 0.02 . 1 . . . . 84 ASN HB3 . 6766 1 1010 . 1 1 106 106 ASN HD21 H 1 6.885 0.02 . 1 . . . . 84 ASN HD21 . 6766 1 1011 . 1 1 106 106 ASN HD22 H 1 7.598 0.02 . 1 . . . . 84 ASN HD22 . 6766 1 1012 . 1 1 106 106 ASN C C 13 174.83 0.4 . 1 . . . . 84 ASN C . 6766 1 1013 . 1 1 106 106 ASN CA C 13 53.457 0.4 . 1 . . . . 84 ASN CA . 6766 1 1014 . 1 1 106 106 ASN CB C 13 37.117 0.4 . 1 . . . . 84 ASN CB . 6766 1 1015 . 1 1 106 106 ASN N N 15 116.605 0.4 . 1 . . . . 84 ASN N . 6766 1 1016 . 1 1 106 106 ASN ND2 N 15 112.509 0.4 . 1 . . . . 84 ASN ND2 . 6766 1 1017 . 1 1 107 107 ILE H H 1 7.984 0.02 . 1 . . . . 85 ILE H . 6766 1 1018 . 1 1 107 107 ILE HA H 1 4.072 0.02 . 1 . . . . 85 ILE HA . 6766 1 1019 . 1 1 107 107 ILE HB H 1 1.809 0.02 . 1 . . . . 85 ILE HB . 6766 1 1020 . 1 1 107 107 ILE HG12 H 1 1.313 0.02 . 1 . . . . 85 ILE HG12 . 6766 1 1021 . 1 1 107 107 ILE HG13 H 1 1.445 0.02 . 1 . . . . 85 ILE HG13 . 6766 1 1022 . 1 1 107 107 ILE HG21 H 1 0.817 0.02 . 1 . . . . 85 ILE HG2 . 6766 1 1023 . 1 1 107 107 ILE HG22 H 1 0.817 0.02 . 1 . . . . 85 ILE HG2 . 6766 1 1024 . 1 1 107 107 ILE HG23 H 1 0.817 0.02 . 1 . . . . 85 ILE HG2 . 6766 1 1025 . 1 1 107 107 ILE HD11 H 1 0.719 0.02 . 1 . . . . 85 ILE HD1 . 6766 1 1026 . 1 1 107 107 ILE HD12 H 1 0.719 0.02 . 1 . . . . 85 ILE HD1 . 6766 1 1027 . 1 1 107 107 ILE HD13 H 1 0.719 0.02 . 1 . . . . 85 ILE HD1 . 6766 1 1028 . 1 1 107 107 ILE C C 13 176.06 0.4 . 1 . . . . 85 ILE C . 6766 1 1029 . 1 1 107 107 ILE CA C 13 63.449 0.4 . 1 . . . . 85 ILE CA . 6766 1 1030 . 1 1 107 107 ILE CB C 13 39.745 0.4 . 1 . . . . 85 ILE CB . 6766 1 1031 . 1 1 107 107 ILE CG1 C 13 24.911 0.4 . 1 . . . . 85 ILE CG1 . 6766 1 1032 . 1 1 107 107 ILE CG2 C 13 18.272 0.4 . 1 . . . . 85 ILE CG2 . 6766 1 1033 . 1 1 107 107 ILE CD1 C 13 15.557 0.4 . 1 . . . . 85 ILE CD1 . 6766 1 1034 . 1 1 107 107 ILE N N 15 110.774 0.4 . 1 . . . . 85 ILE N . 6766 1 1035 . 1 1 108 108 ARG H H 1 8.256 0.02 . 1 . . . . 86 ARG H . 6766 1 1036 . 1 1 108 108 ARG HA H 1 4.955 0.02 . 1 . . . . 86 ARG HA . 6766 1 1037 . 1 1 108 108 ARG HB2 H 1 1.735 0.02 . 1 . . . . 86 ARG HB2 . 6766 1 1038 . 1 1 108 108 ARG HB3 H 1 1.840 0.02 . 1 . . . . 86 ARG HB3 . 6766 1 1039 . 1 1 108 108 ARG HG2 H 1 1.526 0.02 . 1 . . . . 86 ARG HG2 . 6766 1 1040 . 1 1 108 108 ARG HG3 H 1 1.656 0.02 . 1 . . . . 86 ARG HG3 . 6766 1 1041 . 1 1 108 108 ARG HD2 H 1 3.192 0.02 . 1 . . . . 86 ARG HD2 . 6766 1 1042 . 1 1 108 108 ARG HD3 H 1 3.192 0.02 . 1 . . . . 86 ARG HD3 . 6766 1 1043 . 1 1 108 108 ARG C C 13 174.46 0.4 . 1 . . . . 86 ARG C . 6766 1 1044 . 1 1 108 108 ARG CA C 13 54.240 0.4 . 1 . . . . 86 ARG CA . 6766 1 1045 . 1 1 108 108 ARG CB C 13 33.021 0.4 . 1 . . . . 86 ARG CB . 6766 1 1046 . 1 1 108 108 ARG CG C 13 27.368 0.4 . 1 . . . . 86 ARG CG . 6766 1 1047 . 1 1 108 108 ARG CD C 13 43.162 0.4 . 1 . . . . 86 ARG CD . 6766 1 1048 . 1 1 108 108 ARG N N 15 121.149 0.4 . 1 . . . . 86 ARG N . 6766 1 1049 . 1 1 109 109 LEU H H 1 9.021 0.02 . 1 . . . . 87 LEU H . 6766 1 1050 . 1 1 109 109 LEU HA H 1 4.938 0.02 . 1 . . . . 87 LEU HA . 6766 1 1051 . 1 1 109 109 LEU HB2 H 1 1.363 0.02 . 1 . . . . 87 LEU HB2 . 6766 1 1052 . 1 1 109 109 LEU HB3 H 1 1.823 0.02 . 1 . . . . 87 LEU HB3 . 6766 1 1053 . 1 1 109 109 LEU HG H 1 1.570 0.02 . 1 . . . . 87 LEU HG . 6766 1 1054 . 1 1 109 109 LEU HD11 H 1 0.648 0.02 . 1 . . . . 87 LEU HD1 . 6766 1 1055 . 1 1 109 109 LEU HD12 H 1 0.648 0.02 . 1 . . . . 87 LEU HD1 . 6766 1 1056 . 1 1 109 109 LEU HD13 H 1 0.648 0.02 . 1 . . . . 87 LEU HD1 . 6766 1 1057 . 1 1 109 109 LEU HD21 H 1 0.737 0.02 . 1 . . . . 87 LEU HD2 . 6766 1 1058 . 1 1 109 109 LEU HD22 H 1 0.737 0.02 . 1 . . . . 87 LEU HD2 . 6766 1 1059 . 1 1 109 109 LEU HD23 H 1 0.737 0.02 . 1 . . . . 87 LEU HD2 . 6766 1 1060 . 1 1 109 109 LEU C C 13 177.72 0.4 . 1 . . . . 87 LEU C . 6766 1 1061 . 1 1 109 109 LEU CA C 13 54.133 0.4 . 1 . . . . 87 LEU CA . 6766 1 1062 . 1 1 109 109 LEU CB C 13 41.039 0.4 . 1 . . . . 87 LEU CB . 6766 1 1063 . 1 1 109 109 LEU CG C 13 27.398 0.4 . 1 . . . . 87 LEU CG . 6766 1 1064 . 1 1 109 109 LEU CD1 C 13 23.473 0.4 . 1 . . . . 87 LEU CD1 . 6766 1 1065 . 1 1 109 109 LEU CD2 C 13 25.457 0.4 . 1 . . . . 87 LEU CD2 . 6766 1 1066 . 1 1 109 109 LEU N N 15 125.225 0.4 . 1 . . . . 87 LEU N . 6766 1 1067 . 1 1 110 110 VAL H H 1 8.644 0.02 . 1 . . . . 88 VAL H . 6766 1 1068 . 1 1 110 110 VAL HA H 1 4.477 0.02 . 1 . . . . 88 VAL HA . 6766 1 1069 . 1 1 110 110 VAL HB H 1 2.104 0.02 . 1 . . . . 88 VAL HB . 6766 1 1070 . 1 1 110 110 VAL HG11 H 1 0.664 0.02 . 1 . . . . 88 VAL HG1 . 6766 1 1071 . 1 1 110 110 VAL HG12 H 1 0.664 0.02 . 1 . . . . 88 VAL HG1 . 6766 1 1072 . 1 1 110 110 VAL HG13 H 1 0.664 0.02 . 1 . . . . 88 VAL HG1 . 6766 1 1073 . 1 1 110 110 VAL HG21 H 1 0.789 0.02 . 1 . . . . 88 VAL HG2 . 6766 1 1074 . 1 1 110 110 VAL HG22 H 1 0.789 0.02 . 1 . . . . 88 VAL HG2 . 6766 1 1075 . 1 1 110 110 VAL HG23 H 1 0.789 0.02 . 1 . . . . 88 VAL HG2 . 6766 1 1076 . 1 1 110 110 VAL CA C 13 59.923 0.4 . 1 . . . . 88 VAL CA . 6766 1 1077 . 1 1 110 110 VAL CB C 13 35.376 0.4 . 1 . . . . 88 VAL CB . 6766 1 1078 . 1 1 110 110 VAL CG1 C 13 19.450 0.4 . 1 . . . . 88 VAL CG1 . 6766 1 1079 . 1 1 110 110 VAL CG2 C 13 22.062 0.4 . 1 . . . . 88 VAL CG2 . 6766 1 1080 . 1 1 110 110 VAL N N 15 119.471 0.4 . 1 . . . . 88 VAL N . 6766 1 1081 . 1 1 111 111 ASP H H 1 8.701 0.02 . 1 . . . . 89 VAL H . 6766 1 1082 . 1 1 111 111 ASP HA H 1 4.640 0.02 . 1 . . . . 89 ASP HA . 6766 1 1083 . 1 1 111 111 ASP HB2 H 1 2.562 0.02 . 1 . . . . 89 ASP HB2 . 6766 1 1084 . 1 1 111 111 ASP HB3 H 1 2.666 0.02 . 1 . . . . 89 ASP HB3 . 6766 1 1085 . 1 1 111 111 ASP C C 13 176.04 0.4 . 1 . . . . 89 ASP C . 6766 1 1086 . 1 1 111 111 ASP CA C 13 54.06 0.4 . 1 . . . . 89 ASP CA . 6766 1 1087 . 1 1 111 111 ASP CB C 13 41.688 0.4 . 1 . . . . 89 ASP CB . 6766 1 1088 . 1 1 112 112 GLY H H 1 8.131 0.02 . 1 . . . . 90 GLY H . 6766 1 1089 . 1 1 112 112 GLY HA2 H 1 3.813 0.02 . 1 . . . . 90 GLY HA2 . 6766 1 1090 . 1 1 112 112 GLY HA3 H 1 4.281 0.02 . 1 . . . . 90 GLY HA3 . 6766 1 1091 . 1 1 112 112 GLY C C 13 173.54 0.4 . 1 . . . . 90 GLY C . 6766 1 1092 . 1 1 112 112 GLY CA C 13 44.746 0.4 . 1 . . . . 90 GLY CA . 6766 1 1093 . 1 1 112 112 GLY N N 15 109.819 0.4 . 1 . . . . 90 GLY N . 6766 1 1094 . 1 1 113 113 ASP H H 1 8.393 0.02 . 1 . . . . 91 ASP H . 6766 1 1095 . 1 1 113 113 ASP HA H 1 4.388 0.02 . 1 . . . . 91 ASP HA . 6766 1 1096 . 1 1 113 113 ASP HB2 H 1 2.630 0.02 . 1 . . . . 91 ASP HB2 . 6766 1 1097 . 1 1 113 113 ASP HB3 H 1 2.630 0.02 . 1 . . . . 91 ASP HB3 . 6766 1 1098 . 1 1 113 113 ASP C C 13 176.24 0.4 . 1 . . . . 91 ASP C . 6766 1 1099 . 1 1 113 113 ASP CA C 13 55.406 0.4 . 1 . . . . 91 ASP CA . 6766 1 1100 . 1 1 113 113 ASP CB C 13 40.953 0.4 . 1 . . . . 91 ASP CB . 6766 1 1101 . 1 1 113 113 ASP N N 15 120.017 0.4 . 1 . . . . 91 ASP N . 6766 1 1102 . 1 1 114 114 HIS H H 1 7.880 0.02 . 1 . . . . 92 HIS H . 6766 1 1103 . 1 1 114 114 HIS HA H 1 4.38 0.02 . 1 . . . . 92 HIS HA . 6766 1 1104 . 1 1 114 114 HIS HB2 H 1 2.941 0.02 . 1 . . . . 92 HIS HB2 . 6766 1 1105 . 1 1 114 114 HIS HB3 H 1 2.941 0.02 . 1 . . . . 92 HIS HB3 . 6766 1 1106 . 1 1 114 114 HIS HE1 H 1 7.735 0.02 . 1 . . . . 92 HIS HE1 . 6766 1 1107 . 1 1 114 114 HIS C C 13 172.95 0.4 . 1 . . . . 92 HIS C . 6766 1 1108 . 1 1 114 114 HIS CA C 13 54.306 0.4 . 1 . . . . 92 HIS CA . 6766 1 1109 . 1 1 114 114 HIS CB C 13 29.520 0.4 . 1 . . . . 92 HIS CB . 6766 1 1110 . 1 1 114 114 HIS CE1 C 13 136.827 0.4 . 1 . . . . 92 HIS CE1 . 6766 1 1111 . 1 1 114 114 HIS N N 15 116.798 0.4 . 1 . . . . 92 HIS N . 6766 1 1112 . 1 1 115 115 ASP H H 1 8.186 0.02 . 1 . . . . 93 ASP H . 6766 1 1113 . 1 1 115 115 ASP HA H 1 4.764 0.02 . 1 . . . . 93 ASP HA . 6766 1 1114 . 1 1 115 115 ASP HB2 H 1 2.769 0.02 . 1 . . . . 93 ASP HB2 . 6766 1 1115 . 1 1 115 115 ASP HB3 H 1 2.937 0.02 . 1 . . . . 93 ASP HB3 . 6766 1 1116 . 1 1 115 115 ASP C C 13 176.52 0.4 . 1 . . . . 93 ASP C . 6766 1 1117 . 1 1 115 115 ASP CA C 13 53.979 0.4 . 1 . . . . 93 ASP CA . 6766 1 1118 . 1 1 115 115 ASP CB C 13 41.531 0.4 . 1 . . . . 93 ASP CB . 6766 1 1119 . 1 1 115 115 ASP N N 15 119.102 0.4 . 1 . . . . 93 ASP N . 6766 1 1120 . 1 1 116 116 ILE H H 1 8.295 0.02 . 1 . . . . 94 ILE H . 6766 1 1121 . 1 1 116 116 ILE HA H 1 4.727 0.02 . 1 . . . . 94 ILE HA . 6766 1 1122 . 1 1 116 116 ILE HB H 1 1.586 0.02 . 1 . . . . 94 ILE HB . 6766 1 1123 . 1 1 116 116 ILE HG12 H 1 1.402 0.02 . 1 . . . . 94 ILE HG12 . 6766 1 1124 . 1 1 116 116 ILE HG21 H 1 0.716 0.02 . 1 . . . . 94 ILE HG2 . 6766 1 1125 . 1 1 116 116 ILE HG22 H 1 0.716 0.02 . 1 . . . . 94 ILE HG2 . 6766 1 1126 . 1 1 116 116 ILE HG23 H 1 0.716 0.02 . 1 . . . . 94 ILE HG2 . 6766 1 1127 . 1 1 116 116 ILE HD11 H 1 0.502 0.02 . 1 . . . . 94 ILE HD1 . 6766 1 1128 . 1 1 116 116 ILE HD12 H 1 0.502 0.02 . 1 . . . . 94 ILE HD1 . 6766 1 1129 . 1 1 116 116 ILE HD13 H 1 0.502 0.02 . 1 . . . . 94 ILE HD1 . 6766 1 1130 . 1 1 116 116 ILE C C 13 176.16 0.4 . 1 . . . . 94 ILE C . 6766 1 1131 . 1 1 116 116 ILE CA C 13 59.932 0.4 . 1 . . . . 94 ILE CA . 6766 1 1132 . 1 1 116 116 ILE CB C 13 40.493 0.4 . 1 . . . . 94 ILE CB . 6766 1 1133 . 1 1 116 116 ILE CG1 C 13 26.774 0.4 . 1 . . . . 94 ILE CG1 . 6766 1 1134 . 1 1 116 116 ILE CG2 C 13 18.147 0.4 . 1 . . . . 94 ILE CG2 . 6766 1 1135 . 1 1 116 116 ILE CD1 C 13 14.995 0.4 . 1 . . . . 94 ILE CD1 . 6766 1 1136 . 1 1 116 116 ILE N N 15 117.794 0.4 . 1 . . . . 94 ILE N . 6766 1 1137 . 1 1 117 117 ASP H H 1 9.404 0.02 . 1 . . . . 95 ASP H . 6766 1 1138 . 1 1 117 117 ASP HA H 1 5.214 0.02 . 1 . . . . 95 ASP HA . 6766 1 1139 . 1 1 117 117 ASP HB2 H 1 2.389 0.02 . 1 . . . . 95 ASP HB2 . 6766 1 1140 . 1 1 117 117 ASP HB3 H 1 2.686 0.02 . 1 . . . . 95 ASP HB3 . 6766 1 1141 . 1 1 117 117 ASP C C 13 175.56 0.4 . 1 . . . . 95 ASP C . 6766 1 1142 . 1 1 117 117 ASP CA C 13 53.441 0.4 . 1 . . . . 95 ASP CA . 6766 1 1143 . 1 1 117 117 ASP CB C 13 43.817 0.4 . 1 . . . . 95 ASP CB . 6766 1 1144 . 1 1 117 117 ASP N N 15 128.578 0.4 . 1 . . . . 95 ASP N . 6766 1 1145 . 1 1 118 118 CYS H H 1 8.545 0.02 . 1 . . . . 96 CYS H . 6766 1 1146 . 1 1 118 118 CYS HA H 1 5.095 0.02 . 1 . . . . 96 CYS HA . 6766 1 1147 . 1 1 118 118 CYS HB2 H 1 2.699 0.02 . 1 . . . . 96 CYS HB2 . 6766 1 1148 . 1 1 118 118 CYS HB3 H 1 2.848 0.02 . 1 . . . . 96 CYS HB3 . 6766 1 1149 . 1 1 118 118 CYS C C 13 172.44 0.4 . 1 . . . . 96 CYS C . 6766 1 1150 . 1 1 118 118 CYS CA C 13 56.264 0.4 . 1 . . . . 96 CYS CA . 6766 1 1151 . 1 1 118 118 CYS CB C 13 31.663 0.4 . 1 . . . . 96 CYS CB . 6766 1 1152 . 1 1 118 118 CYS N N 15 118.965 0.4 . 1 . . . . 96 CYS N . 6766 1 1153 . 1 1 119 119 LYS H H 1 8.600 0.02 . 1 . . . . 97 LYS H . 6766 1 1154 . 1 1 119 119 LYS HA H 1 4.710 0.02 . 1 . . . . 97 LYS HA . 6766 1 1155 . 1 1 119 119 LYS HB2 H 1 1.661 0.02 . 1 . . . . 97 LYS HB2 . 6766 1 1156 . 1 1 119 119 LYS HB3 H 1 1.661 0.02 . 1 . . . . 97 LYS HB3 . 6766 1 1157 . 1 1 119 119 LYS HG2 H 1 1.1175 0.02 . 1 . . . . 97 LYS HG2 . 6766 1 1158 . 1 1 119 119 LYS HG3 H 1 1.312 0.02 . 1 . . . . 97 LYS HG3 . 6766 1 1159 . 1 1 119 119 LYS HD2 H 1 1.664 0.02 . 1 . . . . 97 LYS HD2 . 6766 1 1160 . 1 1 119 119 LYS HD3 H 1 1.664 0.02 . 1 . . . . 97 LYS HD3 . 6766 1 1161 . 1 1 119 119 LYS HE2 H 1 2.954 0.02 . 1 . . . . 97 LYS HE2 . 6766 1 1162 . 1 1 119 119 LYS HE3 H 1 2.954 0.02 . 1 . . . . 97 LYS HE3 . 6766 1 1163 . 1 1 119 119 LYS CA C 13 55.507 0.4 . 1 . . . . 97 LYS CA . 6766 1 1164 . 1 1 119 119 LYS CB C 13 34.168 0.4 . 1 . . . . 97 LYS CB . 6766 1 1165 . 1 1 119 119 LYS CG C 13 25.283 0.4 . 1 . . . . 97 LYS CG . 6766 1 1166 . 1 1 119 119 LYS CD C 13 29.283 0.4 . 1 . . . . 97 LYS CD . 6766 1 1167 . 1 1 119 119 LYS CE C 13 41.968 0.4 . 1 . . . . 97 LYS CE . 6766 1 1168 . 1 1 119 119 LYS N N 15 120.933 0.4 . 1 . . . . 97 LYS N . 6766 1 1169 . 1 1 120 120 ILE H H 1 8.296 0.02 . 1 . . . . 98 ILE H . 6766 1 1170 . 1 1 120 120 ILE HA H 1 4.385 0.02 . 1 . . . . 98 ILE HA . 6766 1 1171 . 1 1 120 120 ILE HB H 1 1.630 0.02 . 1 . . . . 98 ILE HB . 6766 1 1172 . 1 1 120 120 ILE HG12 H 1 1.003 0.02 . 1 . . . . 98 ILE HG12 . 6766 1 1173 . 1 1 120 120 ILE HG13 H 1 1.576 0.02 . 1 . . . . 98 ILE HG13 . 6766 1 1174 . 1 1 120 120 ILE HG21 H 1 0.944 0.02 . 1 . . . . 98 ILE HG2 . 6766 1 1175 . 1 1 120 120 ILE HG22 H 1 0.944 0.02 . 1 . . . . 98 ILE HG2 . 6766 1 1176 . 1 1 120 120 ILE HG23 H 1 0.944 0.02 . 1 . . . . 98 ILE HG2 . 6766 1 1177 . 1 1 120 120 ILE HD11 H 1 0.767 0.02 . 1 . . . . 98 ILE HD1 . 6766 1 1178 . 1 1 120 120 ILE HD12 H 1 0.767 0.02 . 1 . . . . 98 ILE HD1 . 6766 1 1179 . 1 1 120 120 ILE HD13 H 1 0.767 0.02 . 1 . . . . 98 ILE HD1 . 6766 1 1180 . 1 1 120 120 ILE C C 13 176.60 0.4 . 1 . . . . 98 ILE C . 6766 1 1181 . 1 1 120 120 ILE CA C 13 59.868 0.4 . 1 . . . . 98 ILE CA . 6766 1 1182 . 1 1 120 120 ILE CB C 13 39.995 0.4 . 1 . . . . 98 ILE CB . 6766 1 1183 . 1 1 120 120 ILE CG1 C 13 27.953 0.4 . 1 . . . . 98 ILE CG1 . 6766 1 1184 . 1 1 120 120 ILE CG2 C 13 17.218 0.4 . 1 . . . . 98 ILE CG2 . 6766 1 1185 . 1 1 120 120 ILE CD1 C 13 14.252 0.4 . 1 . . . . 98 ILE CD1 . 6766 1 1186 . 1 1 120 120 ILE N N 15 123.254 0.4 . 1 . . . . 98 ILE N . 6766 1 1187 . 1 1 121 121 ASP H H 1 9.145 0.02 . 1 . . . . 99 ASP H . 6766 1 1188 . 1 1 121 121 ASP HA H 1 4.333 0.02 . 1 . . . . 99 ASP HA . 6766 1 1189 . 1 1 121 121 ASP HB2 H 1 2.660 0.02 . 1 . . . . 99 ASP HB2 . 6766 1 1190 . 1 1 121 121 ASP HB3 H 1 2.660 0.02 . 1 . . . . 99 ASP HB3 . 6766 1 1191 . 1 1 121 121 ASP C C 13 176.56 0.4 . 1 . . . . 99 ASP C . 6766 1 1192 . 1 1 121 121 ASP CA C 13 56.710 0.4 . 1 . . . . 99 ASP CA . 6766 1 1193 . 1 1 121 121 ASP CB C 13 40.252 0.4 . 1 . . . . 99 ASP CB . 6766 1 1194 . 1 1 121 121 ASP N N 15 132.167 0.4 . 1 . . . . 99 ASP N . 6766 1 1195 . 1 1 122 122 GLY H H 1 8.851 0.02 . 1 . . . . 100 GLY H . 6766 1 1196 . 1 1 122 122 GLY HA2 H 1 3.628 0.02 . 1 . . . . 100 GLY HA2 . 6766 1 1197 . 1 1 122 122 GLY HA3 H 1 4.260 0.02 . 1 . . . . 100 GLY HA3 . 6766 1 1198 . 1 1 122 122 GLY C C 13 173.60 0.4 . 1 . . . . 100 GLY C . 6766 1 1199 . 1 1 122 122 GLY CA C 13 45.440 0.4 . 1 . . . . 100 GLY CA . 6766 1 1200 . 1 1 122 122 GLY N N 15 113.232 0.4 . 1 . . . . 100 GLY N . 6766 1 1201 . 1 1 123 123 ILE H H 1 7.920 0.02 . 1 . . . . 101 ILE H . 6766 1 1202 . 1 1 123 123 ILE HA H 1 4.134 0.02 . 1 . . . . 101 ILE HA . 6766 1 1203 . 1 1 123 123 ILE HB H 1 1.578 0.02 . 1 . . . . 101 ILE HB . 6766 1 1204 . 1 1 123 123 ILE HG12 H 1 1.089 0.02 . 1 . . . . 101 ILE HG12 . 6766 1 1205 . 1 1 123 123 ILE HG13 H 1 1.369 0.02 . 1 . . . . 101 ILE HG13 . 6766 1 1206 . 1 1 123 123 ILE HG21 H 1 0.746 0.02 . 1 . . . . 101 ILE HG2 . 6766 1 1207 . 1 1 123 123 ILE HG22 H 1 0.746 0.02 . 1 . . . . 101 ILE HG2 . 6766 1 1208 . 1 1 123 123 ILE HG23 H 1 0.746 0.02 . 1 . . . . 101 ILE HG2 . 6766 1 1209 . 1 1 123 123 ILE HD11 H 1 0.738 0.02 . 1 . . . . 101 ILE HD1 . 6766 1 1210 . 1 1 123 123 ILE HD12 H 1 0.738 0.02 . 1 . . . . 101 ILE HD1 . 6766 1 1211 . 1 1 123 123 ILE HD13 H 1 0.738 0.02 . 1 . . . . 101 ILE HD1 . 6766 1 1212 . 1 1 123 123 ILE C C 13 175.50 0.4 . 1 . . . . 101 ILE C . 6766 1 1213 . 1 1 123 123 ILE CA C 13 61.866 0.4 . 1 . . . . 101 ILE CA . 6766 1 1214 . 1 1 123 123 ILE CB C 13 40.411 0.4 . 1 . . . . 101 ILE CB . 6766 1 1215 . 1 1 123 123 ILE CG1 C 13 27.696 0.4 . 1 . . . . 101 ILE CG1 . 6766 1 1216 . 1 1 123 123 ILE CG2 C 13 17.257 0.4 . 1 . . . . 101 ILE CG2 . 6766 1 1217 . 1 1 123 123 ILE CD1 C 13 12.702 0.4 . 1 . . . . 101 ILE CD1 . 6766 1 1218 . 1 1 123 123 ILE N N 15 120.621 0.4 . 1 . . . . 101 ILE N . 6766 1 1219 . 1 1 124 124 GLY H H 1 8.633 0.02 . 1 . . . . 102 GLY H . 6766 1 1220 . 1 1 124 124 GLY HA2 H 1 3.674 0.02 . 1 . . . . 102 GLY HA2 . 6766 1 1221 . 1 1 124 124 GLY HA3 H 1 4.509 0.02 . 1 . . . . 102 GLY HA3 . 6766 1 1222 . 1 1 124 124 GLY C C 13 172.91 0.4 . 1 . . . . 102 GLY C . 6766 1 1223 . 1 1 124 124 GLY CA C 13 43.551 0.4 . 1 . . . . 102 GLY CA . 6766 1 1224 . 1 1 124 124 GLY N N 15 107.868 0.4 . 1 . . . . 102 GLY N . 6766 1 1225 . 1 1 125 125 ALA H H 1 8.435 0.02 . 1 . . . . 103 ALA H . 6766 1 1226 . 1 1 125 125 ALA HA H 1 4.775 0.02 . 1 . . . . 103 ALA HA . 6766 1 1227 . 1 1 125 125 ALA HB1 H 1 1.379 0.02 . 1 . . . . 103 ALA HB . 6766 1 1228 . 1 1 125 125 ALA HB2 H 1 1.379 0.02 . 1 . . . . 103 ALA HB . 6766 1 1229 . 1 1 125 125 ALA HB3 H 1 1.379 0.02 . 1 . . . . 103 ALA HB . 6766 1 1230 . 1 1 125 125 ALA C C 13 177.61 0.4 . 1 . . . . 103 ALA C . 6766 1 1231 . 1 1 125 125 ALA CA C 13 52.318 0.4 . 1 . . . . 103 ALA CA . 6766 1 1232 . 1 1 125 125 ALA CB C 13 19.255 0.4 . 1 . . . . 103 ALA CB . 6766 1 1233 . 1 1 125 125 ALA N N 15 124.795 0.4 . 1 . . . . 103 ALA N . 6766 1 1234 . 1 1 126 126 MET H H 1 8.795 0.02 . 1 . . . . 104 MET H . 6766 1 1235 . 1 1 126 126 MET HA H 1 4.677 0.02 . 1 . . . . 104 MET HA . 6766 1 1236 . 1 1 126 126 MET HB2 H 1 1.782 0.02 . 1 . . . . 104 MET HB2 . 6766 1 1237 . 1 1 126 126 MET HB3 H 1 1.782 0.02 . 1 . . . . 104 MET HB3 . 6766 1 1238 . 1 1 126 126 MET HG2 H 1 2.237 0.02 . 1 . . . . 104 MET HG2 . 6766 1 1239 . 1 1 126 126 MET HG3 H 1 2.345 0.02 . 1 . . . . 104 MET HG3 . 6766 1 1240 . 1 1 126 126 MET HE1 H 1 0.770 0.02 . 1 . . . . 104 MET HE . 6766 1 1241 . 1 1 126 126 MET HE2 H 1 0.770 0.02 . 1 . . . . 104 MET HE . 6766 1 1242 . 1 1 126 126 MET HE3 H 1 0.770 0.02 . 1 . . . . 104 MET HE . 6766 1 1243 . 1 1 126 126 MET C C 13 173.49 0.4 . 1 . . . . 104 MET C . 6766 1 1244 . 1 1 126 126 MET CA C 13 54.604 0.4 . 1 . . . . 104 MET CA . 6766 1 1245 . 1 1 126 126 MET CB C 13 36.009 0.4 . 1 . . . . 104 MET CB . 6766 1 1246 . 1 1 126 126 MET CG C 13 32.077 0.4 . 1 . . . . 104 MET CG . 6766 1 1247 . 1 1 126 126 MET N N 15 121.519 0.4 . 1 . . . . 104 MET N . 6766 1 1248 . 1 1 127 127 LYS H H 1 7.922 0.02 . 1 . . . . 105 LYS H . 6766 1 1249 . 1 1 127 127 LYS HA H 1 5.439 0.02 . 1 . . . . 105 LYS HA . 6766 1 1250 . 1 1 127 127 LYS HB2 H 1 1.349 0.02 . 1 . . . . 105 LYS HB2 . 6766 1 1251 . 1 1 127 127 LYS HB3 H 1 1.472 0.02 . 1 . . . . 105 LYS HB3 . 6766 1 1252 . 1 1 127 127 LYS HG2 H 1 1.320 0.02 . 1 . . . . 105 LYS HG2 . 6766 1 1253 . 1 1 127 127 LYS HG3 H 1 1.411 0.02 . 1 . . . . 105 LYS HG3 . 6766 1 1254 . 1 1 127 127 LYS HD2 H 1 1.524 0.02 . 1 . . . . 105 LYS HD2 . 6766 1 1255 . 1 1 127 127 LYS HD3 H 1 1.591 0.02 . 1 . . . . 105 LYS HD3 . 6766 1 1256 . 1 1 127 127 LYS HE2 H 1 2.911 0.02 . 1 . . . . 105 LYS HE2 . 6766 1 1257 . 1 1 127 127 LYS HE3 H 1 2.911 0.02 . 1 . . . . 105 LYS HE3 . 6766 1 1258 . 1 1 127 127 LYS C C 13 176.14 0.4 . 1 . . . . 105 LYS C . 6766 1 1259 . 1 1 127 127 LYS CA C 13 54.151 0.4 . 1 . . . . 105 LYS CA . 6766 1 1260 . 1 1 127 127 LYS CB C 13 34.026 0.4 . 1 . . . . 105 LYS CB . 6766 1 1261 . 1 1 127 127 LYS CG C 13 24.933 0.4 . 1 . . . . 105 LYS CG . 6766 1 1262 . 1 1 127 127 LYS CD C 13 29.294 0.4 . 1 . . . . 105 LYS CD . 6766 1 1263 . 1 1 127 127 LYS CE C 13 42.09 0.4 . 1 . . . . 105 LYS CE . 6766 1 1264 . 1 1 127 127 LYS N N 15 121.110 0.4 . 1 . . . . 105 LYS N . 6766 1 1265 . 1 1 128 128 LEU H H 1 9.224 0.02 . 1 . . . . 106 LEU H . 6766 1 1266 . 1 1 128 128 LEU HA H 1 4.910 0.02 . 1 . . . . 106 LEU HA . 6766 1 1267 . 1 1 128 128 LEU HB2 H 1 1.370 0.02 . 1 . . . . 106 LEU HB2 . 6766 1 1268 . 1 1 128 128 LEU HB3 H 1 1.434 0.02 . 1 . . . . 106 LEU HB3 . 6766 1 1269 . 1 1 128 128 LEU HG H 1 1.454 0.02 . 1 . . . . 106 LEU HG . 6766 1 1270 . 1 1 128 128 LEU HD11 H 1 0.700 0.02 . 1 . . . . 106 LEU HD1 . 6766 1 1271 . 1 1 128 128 LEU HD12 H 1 0.700 0.02 . 1 . . . . 106 LEU HD1 . 6766 1 1272 . 1 1 128 128 LEU HD13 H 1 0.700 0.02 . 1 . . . . 106 LEU HD1 . 6766 1 1273 . 1 1 128 128 LEU HD21 H 1 0.787 0.02 . 1 . . . . 106 LEU HD2 . 6766 1 1274 . 1 1 128 128 LEU HD22 H 1 0.787 0.02 . 1 . . . . 106 LEU HD2 . 6766 1 1275 . 1 1 128 128 LEU HD23 H 1 0.787 0.02 . 1 . . . . 106 LEU HD2 . 6766 1 1276 . 1 1 128 128 LEU C C 13 175.49 0.4 . 1 . . . . 106 LEU C . 6766 1 1277 . 1 1 128 128 LEU CA C 13 52.870 0.4 . 1 . . . . 106 LEU CA . 6766 1 1278 . 1 1 128 128 LEU CB C 13 46.024 0.4 . 1 . . . . 106 LEU CB . 6766 1 1279 . 1 1 128 128 LEU CG C 13 27.195 0.4 . 1 . . . . 106 LEU CG . 6766 1 1280 . 1 1 128 128 LEU CD1 C 13 26.759 0.4 . 1 . . . . 106 LEU CD1 . 6766 1 1281 . 1 1 128 128 LEU CD2 C 13 24.435 0.4 . 1 . . . . 106 LEU CD2 . 6766 1 1282 . 1 1 128 128 LEU N N 15 121.656 0.4 . 1 . . . . 106 LEU N . 6766 1 1283 . 1 1 129 129 LYS H H 1 7.644 0.02 . 1 . . . . 107 LYS H . 6766 1 1284 . 1 1 129 129 LYS HA H 1 4.803 0.02 . 1 . . . . 107 LYS HA . 6766 1 1285 . 1 1 129 129 LYS HB2 H 1 1.938 0.02 . 1 . . . . 107 LYS HB2 . 6766 1 1286 . 1 1 129 129 LYS HB3 H 1 1.938 0.02 . 1 . . . . 107 LYS HB3 . 6766 1 1287 . 1 1 129 129 LYS HG2 H 1 1.397 0.02 . 1 . . . . 107 LYS HG2 . 6766 1 1288 . 1 1 129 129 LYS HG3 H 1 1.400 0.02 . 1 . . . . 107 LYS HG3 . 6766 1 1289 . 1 1 129 129 LYS HD2 H 1 1.546 0.02 . 1 . . . . 107 LYS HD2 . 6766 1 1290 . 1 1 129 129 LYS HD3 H 1 1.546 0.02 . 1 . . . . 107 LYS HD3 . 6766 1 1291 . 1 1 129 129 LYS HE2 H 1 2.763 0.02 . 1 . . . . 107 LYS HE2 . 6766 1 1292 . 1 1 129 129 LYS HE3 H 1 2.683 0.02 . 1 . . . . 107 LYS HE3 . 6766 1 1293 . 1 1 129 129 LYS C C 13 177.91 0.4 . 1 . . . . 107 LYS C . 6766 1 1294 . 1 1 129 129 LYS CA C 13 55.589 0.4 . 1 . . . . 107 LYS CA . 6766 1 1295 . 1 1 129 129 LYS CB C 13 33.870 0.4 . 1 . . . . 107 LYS CB . 6766 1 1296 . 1 1 129 129 LYS CD C 13 29.540 0.4 . 1 . . . . 107 LYS CD . 6766 1 1297 . 1 1 129 129 LYS CE C 13 41.851 0.4 . 1 . . . . 107 LYS CE . 6766 1 1298 . 1 1 129 129 LYS N N 15 118.946 0.4 . 1 . . . . 107 LYS N . 6766 1 1299 . 1 1 130 130 SER HA H 1 3.853 0.02 . 1 . . . . 108 SER HA . 6766 1 1300 . 1 1 130 130 SER HB2 H 1 3.736 0.02 . 1 . . . . 108 SER HB2 . 6766 1 1301 . 1 1 130 130 SER HB3 H 1 3.736 0.02 . 1 . . . . 108 SER HB3 . 6766 1 1302 . 1 1 130 130 SER C C 13 175.74 0.4 . 1 . . . . 108 SER C . 6766 1 1303 . 1 1 130 130 SER CA C 13 61.343 0.4 . 1 . . . . 108 SER CA . 6766 1 1304 . 1 1 130 130 SER CB C 13 61.343 0.4 . 1 . . . . 108 SER CB . 6766 1 1305 . 1 1 131 131 GLU H H 1 8.268 0.02 . 1 . . . . 109 GLU H . 6766 1 1306 . 1 1 131 131 GLU HA H 1 4.009 0.02 . 1 . . . . 109 GLU HA . 6766 1 1307 . 1 1 131 131 GLU HB2 H 1 1.397 0.02 . 1 . . . . 109 GLU HB2 . 6766 1 1308 . 1 1 131 131 GLU HB3 H 1 1.498 0.02 . 1 . . . . 109 GLU HB3 . 6766 1 1309 . 1 1 131 131 GLU HG2 H 1 1.593 0.02 . 1 . . . . 109 GLU HG2 . 6766 1 1310 . 1 1 131 131 GLU HG3 H 1 1.834 0.02 . 1 . . . . 109 GLU HG3 . 6766 1 1311 . 1 1 131 131 GLU C C 13 176.09 0.4 . 1 . . . . 109 GLU C . 6766 1 1312 . 1 1 131 131 GLU CA C 13 57.902 0.4 . 1 . . . . 109 GLU CA . 6766 1 1313 . 1 1 131 131 GLU CB C 13 35.306 0.4 . 1 . . . . 109 GLU CB . 6766 1 1314 . 1 1 131 131 GLU CG C 13 28.873 0.4 . 1 . . . . 109 GLU CG . 6766 1 1315 . 1 1 131 131 GLU N N 15 117.970 0.4 . 1 . . . . 109 GLU N . 6766 1 1316 . 1 1 132 132 PHE H H 1 7.949 0.02 . 1 . . . . 110 PHE H . 6766 1 1317 . 1 1 132 132 PHE HA H 1 5.062 0.02 . 1 . . . . 110 PHE HA . 6766 1 1318 . 1 1 132 132 PHE HB2 H 1 3.025 0.02 . 1 . . . . 110 PHE HB2 . 6766 1 1319 . 1 1 132 132 PHE HB3 H 1 3.730 0.02 . 1 . . . . 110 PHE HB3 . 6766 1 1320 . 1 1 132 132 PHE HD1 H 1 7.204 0.02 . 1 . . . . 110 PHE HD1 . 6766 1 1321 . 1 1 132 132 PHE HD2 H 1 7.204 0.02 . 1 . . . . 110 PHE HD2 . 6766 1 1322 . 1 1 132 132 PHE HE1 H 1 7.365 0.02 . 1 . . . . 110 PHE HE1 . 6766 1 1323 . 1 1 132 132 PHE HE2 H 1 7.365 0.02 . 1 . . . . 110 PHE HE2 . 6766 1 1324 . 1 1 132 132 PHE C C 13 175.5 0.4 . 1 . . . . 110 PHE C . 6766 1 1325 . 1 1 132 132 PHE CA C 13 55.477 0.4 . 1 . . . . 110 PHE CA . 6766 1 1326 . 1 1 132 132 PHE CB C 13 39.160 0.4 . 1 . . . . 110 PHE CB . 6766 1 1327 . 1 1 132 132 PHE CD1 C 13 131.316 0.4 . 1 . . . . 110 PHE CD1 . 6766 1 1328 . 1 1 132 132 PHE CD2 C 13 131.316 0.4 . 1 . . . . 110 PHE CD2 . 6766 1 1329 . 1 1 132 132 PHE CE1 C 13 131.498 0.4 . 1 . . . . 110 PHE CE1 . 6766 1 1330 . 1 1 132 132 PHE CE2 C 13 131.498 0.4 . 1 . . . . 110 PHE CE2 . 6766 1 1331 . 1 1 132 132 PHE N N 15 116.098 0.4 . 1 . . . . 110 PHE N . 6766 1 1332 . 1 1 133 133 VAL H H 1 7.728 0.02 . 1 . . . . 111 VAL H . 6766 1 1333 . 1 1 133 133 VAL HA H 1 5.795 0.02 . 1 . . . . 111 VAL HA . 6766 1 1334 . 1 1 133 133 VAL HB H 1 2.204 0.02 . 1 . . . . 111 VAL HB . 6766 1 1335 . 1 1 133 133 VAL HG11 H 1 0.836 0.02 . 1 . . . . 111 VAL HG1 . 6766 1 1336 . 1 1 133 133 VAL HG12 H 1 0.836 0.02 . 1 . . . . 111 VAL HG1 . 6766 1 1337 . 1 1 133 133 VAL HG13 H 1 0.836 0.02 . 1 . . . . 111 VAL HG1 . 6766 1 1338 . 1 1 133 133 VAL HG21 H 1 0.975 0.02 . 1 . . . . 111 VAL HG2 . 6766 1 1339 . 1 1 133 133 VAL HG22 H 1 0.975 0.02 . 1 . . . . 111 VAL HG2 . 6766 1 1340 . 1 1 133 133 VAL HG23 H 1 0.975 0.02 . 1 . . . . 111 VAL HG2 . 6766 1 1341 . 1 1 133 133 VAL C C 13 175.85 0.4 . 1 . . . . 111 VAL C . 6766 1 1342 . 1 1 133 133 VAL CA C 13 57.809 0.4 . 1 . . . . 111 VAL CA . 6766 1 1343 . 1 1 133 133 VAL CB C 13 35.884 0.4 . 1 . . . . 111 VAL CB . 6766 1 1344 . 1 1 133 133 VAL CG1 C 13 21.314 0.4 . 1 . . . . 111 VAL CG1 . 6766 1 1345 . 1 1 133 133 VAL CG2 C 13 18.522 0.4 . 1 . . . . 111 VAL CG2 . 6766 1 1346 . 1 1 133 133 VAL N N 15 110.831 0.4 . 1 . . . . 111 VAL N . 6766 1 1347 . 1 1 134 134 ARG H H 1 9.288 0.02 . 1 . . . . 112 ARG H . 6766 1 1348 . 1 1 134 134 ARG HA H 1 4.809 0.02 . 1 . . . . 112 ARG HA . 6766 1 1349 . 1 1 134 134 ARG HB2 H 1 1.373 0.02 . 1 . . . . 112 ARG HB2 . 6766 1 1350 . 1 1 134 134 ARG HB3 H 1 1.684 0.02 . 1 . . . . 112 ARG HB3 . 6766 1 1351 . 1 1 134 134 ARG HG2 H 1 1.499 0.02 . 1 . . . . 112 ARG HG2 . 6766 1 1352 . 1 1 134 134 ARG HG3 H 1 1.617 0.02 . 1 . . . . 112 ARG HG3 . 6766 1 1353 . 1 1 134 134 ARG HD2 H 1 3.056 0.02 . 1 . . . . 112 ARG HD2 . 6766 1 1354 . 1 1 134 134 ARG HD3 H 1 3.168 0.02 . 1 . . . . 112 ARG HD3 . 6766 1 1355 . 1 1 134 134 ARG C C 13 174.62 0.4 . 1 . . . . 112 ARG C . 6766 1 1356 . 1 1 134 134 ARG CA C 13 55.067 0.4 . 1 . . . . 112 ARG CA . 6766 1 1357 . 1 1 134 134 ARG CB C 13 34.400 0.4 . 1 . . . . 112 ARG CB . 6766 1 1358 . 1 1 134 134 ARG CG C 13 27.361 0.4 . 1 . . . . 112 ARG CG . 6766 1 1359 . 1 1 134 134 ARG CD C 13 43.490 0.4 . 1 . . . . 112 ARG CD . 6766 1 1360 . 1 1 134 134 ARG N N 15 123.470 0.4 . 1 . . . . 112 ARG N . 6766 1 1361 . 1 1 135 135 LYS H H 1 10.681 0.02 . 1 . . . . 113 LYS H . 6766 1 1362 . 1 1 135 135 LYS HA H 1 4.291 0.02 . 1 . . . . 113 LYS HA . 6766 1 1363 . 1 1 135 135 LYS HB2 H 1 1.654 0.02 . 1 . . . . 113 LYS HB2 . 6766 1 1364 . 1 1 135 135 LYS HB3 H 1 1.654 0.02 . 1 . . . . 113 LYS HB3 . 6766 1 1365 . 1 1 135 135 LYS HG2 H 1 1.375 0.02 . 1 . . . . 113 LYS HG2 . 6766 1 1366 . 1 1 135 135 LYS HG3 H 1 1.260 0.02 . 1 . . . . 113 LYS HG3 . 6766 1 1367 . 1 1 135 135 LYS HE2 H 1 2.894 0.02 . 1 . . . . 113 LYS HE2 . 6766 1 1368 . 1 1 135 135 LYS HE3 H 1 2.894 0.02 . 1 . . . . 113 LYS HE3 . 6766 1 1369 . 1 1 135 135 LYS C C 13 175.89 0.4 . 1 . . . . 113 LYS C . 6766 1 1370 . 1 1 135 135 LYS CA C 13 58.168 0.4 . 1 . . . . 113 LYS CA . 6766 1 1371 . 1 1 135 135 LYS CB C 13 33.754 0.4 . 1 . . . . 113 LYS CB . 6766 1 1372 . 1 1 135 135 LYS CG C 13 25.717 0.4 . 1 . . . . 113 LYS CG . 6766 1 1373 . 1 1 135 135 LYS CD C 13 30.272 0.4 . 1 . . . . 113 LYS CD . 6766 1 1374 . 1 1 135 135 LYS CE C 13 42.195 0.4 . 1 . . . . 113 LYS CE . 6766 1 1375 . 1 1 135 135 LYS N N 15 130.159 0.4 . 1 . . . . 113 LYS N . 6766 1 1376 . 1 1 136 136 VAL H H 1 8.412 0.02 . 1 . . . . 114 VAL H . 6766 1 1377 . 1 1 136 136 VAL HA H 1 4.218 0.02 . 1 . . . . 114 VAL HA . 6766 1 1378 . 1 1 136 136 VAL HB H 1 1.832 0.02 . 1 . . . . 114 VAL HB . 6766 1 1379 . 1 1 136 136 VAL HG11 H 1 0.778 0.02 . 1 . . . . 114 VAL HG1 . 6766 1 1380 . 1 1 136 136 VAL HG12 H 1 0.778 0.02 . 1 . . . . 114 VAL HG1 . 6766 1 1381 . 1 1 136 136 VAL HG13 H 1 0.778 0.02 . 1 . . . . 114 VAL HG1 . 6766 1 1382 . 1 1 136 136 VAL HG21 H 1 0.884 0.02 . 1 . . . . 114 VAL HG2 . 6766 1 1383 . 1 1 136 136 VAL HG22 H 1 0.884 0.02 . 1 . . . . 114 VAL HG2 . 6766 1 1384 . 1 1 136 136 VAL HG23 H 1 0.884 0.02 . 1 . . . . 114 VAL HG2 . 6766 1 1385 . 1 1 136 136 VAL C C 13 175.78 0.4 . 1 . . . . 114 VAL C . 6766 1 1386 . 1 1 136 136 VAL CA C 13 61.686 0.4 . 1 . . . . 114 VAL CA . 6766 1 1387 . 1 1 136 136 VAL CB C 13 32.965 0.4 . 1 . . . . 114 VAL CB . 6766 1 1388 . 1 1 136 136 VAL CG1 C 13 21.562 0.4 . 1 . . . . 114 VAL CG1 . 6766 1 1389 . 1 1 136 136 VAL CG2 C 13 21.384 0.4 . 1 . . . . 114 VAL CG2 . 6766 1 1390 . 1 1 136 136 VAL N N 15 126.394 0.4 . 1 . . . . 114 VAL N . 6766 1 1391 . 1 1 137 137 GLY H H 1 8.476 0.02 . 1 . . . . 115 GLY H . 6766 1 1392 . 1 1 137 137 GLY HA2 H 1 3.952 0.02 . 1 . . . . 115 GLY HA2 . 6766 1 1393 . 1 1 137 137 GLY HA3 H 1 4.019 0.02 . 1 . . . . 115 GLY HA3 . 6766 1 1394 . 1 1 137 137 GLY C C 13 173.17 0.4 . 1 . . . . 115 GLY C . 6766 1 1395 . 1 1 137 137 GLY CA C 13 45.339 0.4 . 1 . . . . 115 GLY CA . 6766 1 1396 . 1 1 137 137 GLY N N 15 113.738 0.4 . 1 . . . . 115 GLY N . 6766 1 1397 . 1 1 138 138 SER H H 1 7.874 0.02 . 1 . . . . 116 SER H . 6766 1 1398 . 1 1 138 138 SER HA H 1 4.296 0.02 . 1 . . . . 116 SER HA . 6766 1 1399 . 1 1 138 138 SER HB2 H 1 3.796 0.02 . 1 . . . . 116 SER HB2 . 6766 1 1400 . 1 1 138 138 SER HB3 H 1 3.877 0.02 . 1 . . . . 116 SER HB3 . 6766 1 1401 . 1 1 138 138 SER C C 13 178.78 0.4 . 1 . . . . 116 SER C . 6766 1 1402 . 1 1 138 138 SER CA C 13 59.682 0.4 . 1 . . . . 116 SER CA . 6766 1 1403 . 1 1 138 138 SER CB C 13 64.797 0.4 . 1 . . . . 116 SER CB . 6766 1 1404 . 1 1 138 138 SER N N 15 120.876 0.4 . 1 . . . . 116 SER N . 6766 1 stop_ save_