data_19053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19053 _Entry.Title ; Solution structure of FimA wt ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-24 _Entry.Accession_date 2013-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michal Walczak . J. . 19053 2 Chasper Puorger . . . 19053 3 Rudi Glockshuber . . . 19053 4 Gerhard Wider . . . 19053 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19053 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FimA . 19053 Pili . 19053 pilus . 19053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 668 19053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-07 2013-02-24 update BMRB 'update entry citation' 19053 1 . . 2013-11-11 2013-02-24 original author 'original release' 19053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24184277 _Citation.Full_citation . _Citation.Title 'Intramolecular Donor Strand Complementation in the E. coli Type 1 Pilus Subunit FimA Explains the Existence of FimA Monomers As Off-Pathway Products of Pilus Assembly That Inhibit Host Cell Apoptosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 3 _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 542 _Citation.Page_last 549 _Citation.Year 2014 _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 Michal Walczak . J. . 19053 1 2 Chasper Puorger . . . 19053 1 3 Rudi Glockshuber . . . 19053 1 4 Gerhard Wider . . . 19053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19053 _Assembly.ID 1 _Assembly.Name 'FimA wt' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'FimA wt' 1 $FimA_wt A . yes native no no . . . 19053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FimA_wt _Entity.Sf_category entity _Entity.Sf_framecode FimA_wt _Entity.Entry_ID 19053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FimA_wt _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AATTVNGGTVHFKGEVVNAA CAVDAGSVDQTVQLGQVRTA SLAQEGATSSAVGFNIQLND CDTNVASKAAVAFLGTAIDA GHTNVLALQSSAAGSATNVG VQILDRTGAALTLDGATFSS ETTLNNGTNTIPFQARYFAT GAATPGAANADATFKVQYQ ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15835.380 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25334 . FimA . . . . . 100.00 160 100.00 100.00 7.80e-105 . . . . 19053 1 2 no PDB 2M5G . "Solution Structure Of Fima Wt" . . . . . 100.00 159 100.00 100.00 1.30e-104 . . . . 19053 1 3 no PDB 2MX3 . "Hybrid Structure Of The Type 1 Pilus Of Uropathogenic E.coli" . . . . . 100.00 160 100.00 100.00 7.80e-105 . . . . 19053 1 4 no PDB 2N7H . "Hybrid Structure Of The Type 1 Pilus Of Uropathogenic E.coli" . . . . . 100.00 160 100.00 100.00 7.80e-105 . . . . 19053 1 5 no PDB 3SQB . "Structure Of The Major Type 1 Pilus Subunit Fima Bound To The Fimc Chaperone" . . . . . 93.71 152 98.66 98.66 2.85e-96 . . . . 19053 1 6 no PDB 4DWH . "Structure Of The Major Type 1 Pilus Subunit Fima Bound To The Fimc (2.5 A Resolution)" . . . . . 89.94 143 99.30 100.00 4.37e-92 . . . . 19053 1 7 no DBJ BAE78307 . "major type 1 subunit fimbrin [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 8 no DBJ BAJ46028 . "type 1 fimbriae major subunit FimA [Escherichia coli DH1]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 9 no EMBL CAA25489 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 181 99.37 99.37 3.70e-103 . . . . 19053 1 10 no EMBL CAQ34662 . "major type 1 subunit fimbrin (pilin), subunit of fimbrial complex [Escherichia coli BL21(DE3)]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 11 no EMBL CAR16032 . "major type 1 subunit fimbrin (pilin) [Escherichia coli UMN026]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 12 no EMBL CAS12169 . "major type 1 subunit fimbrin (pilin) [Escherichia coli O127:H6 str. E2348/69]" . . . . . 100.00 182 98.74 98.74 3.90e-104 . . . . 19053 1 13 no EMBL CCJ47011 . "major type 1 subunit fimbrin (pilin) [Escherichia coli]" . . . . . 100.00 182 98.74 98.74 2.17e-103 . . . . 19053 1 14 no GB AAA24389 . "pilin (pilA) [Escherichia coli]" . . . . . 100.00 182 100.00 100.00 1.21e-105 . . . . 19053 1 15 no GB AAA97210 . "type 1 fimbrial subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 16 no GB AAC77270 . "major type 1 subunit fimbrin (pilin) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 17 no GB AAG35683 . "type-1 fimbrial major subunit [Escherichia coli]" . . . . . 100.00 182 99.37 99.37 1.17e-104 . . . . 19053 1 18 no GB AAO84630 . "FimA [Escherichia coli]" . . . . . 100.00 182 98.74 98.74 2.17e-103 . . . . 19053 1 19 no REF NP_418734 . "major type 1 subunit fimbrin (pilin) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 1 20 no REF WP_000695553 . "type-1 fimbrial protein subunit A [Escherichia coli]" . . . . . 83.65 156 97.74 99.25 3.83e-83 . . . . 19053 1 21 no REF WP_000695557 . "type-1 fimbrial protein subunit A [Escherichia coli]" . . . . . 100.00 182 98.74 98.74 4.12e-104 . . . . 19053 1 22 no REF WP_000695559 . "type-1 fimbrial protein subunit A [Escherichia coli]" . . . . . 100.00 182 98.11 98.11 2.76e-103 . . . . 19053 1 23 no REF WP_000695560 . "type-1 fimbrial protein subunit A [Escherichia coli]" . . . . . 100.00 182 98.74 98.74 6.10e-104 . . . . 19053 1 24 no SP P04128 . "RecName: Full=Type-1 fimbrial protein, A chain; AltName: Full=Type-1A pilin; Flags: Precursor" . . . . . 100.00 182 100.00 100.00 1.63e-105 . . . . 19053 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 1 ALA . 19053 1 2 2 ALA . 19053 1 3 3 THR . 19053 1 4 4 THR . 19053 1 5 5 VAL . 19053 1 6 6 ASN . 19053 1 7 7 GLY . 19053 1 8 8 GLY . 19053 1 9 9 THR . 19053 1 10 10 VAL . 19053 1 11 11 HIS . 19053 1 12 12 PHE . 19053 1 13 13 LYS . 19053 1 14 14 GLY . 19053 1 15 15 GLU . 19053 1 16 16 VAL . 19053 1 17 17 VAL . 19053 1 18 18 ASN . 19053 1 19 19 ALA . 19053 1 20 20 ALA . 19053 1 21 21 CYS . 19053 1 22 22 ALA . 19053 1 23 23 VAL . 19053 1 24 24 ASP . 19053 1 25 25 ALA . 19053 1 26 26 GLY . 19053 1 27 27 SER . 19053 1 28 28 VAL . 19053 1 29 29 ASP . 19053 1 30 30 GLN . 19053 1 31 31 THR . 19053 1 32 32 VAL . 19053 1 33 33 GLN . 19053 1 34 34 LEU . 19053 1 35 35 GLY . 19053 1 36 36 GLN . 19053 1 37 37 VAL . 19053 1 38 38 ARG . 19053 1 39 39 THR . 19053 1 40 40 ALA . 19053 1 41 41 SER . 19053 1 42 42 LEU . 19053 1 43 43 ALA . 19053 1 44 44 GLN . 19053 1 45 45 GLU . 19053 1 46 46 GLY . 19053 1 47 47 ALA . 19053 1 48 48 THR . 19053 1 49 49 SER . 19053 1 50 50 SER . 19053 1 51 51 ALA . 19053 1 52 52 VAL . 19053 1 53 53 GLY . 19053 1 54 54 PHE . 19053 1 55 55 ASN . 19053 1 56 56 ILE . 19053 1 57 57 GLN . 19053 1 58 58 LEU . 19053 1 59 59 ASN . 19053 1 60 60 ASP . 19053 1 61 61 CYS . 19053 1 62 62 ASP . 19053 1 63 63 THR . 19053 1 64 64 ASN . 19053 1 65 65 VAL . 19053 1 66 66 ALA . 19053 1 67 67 SER . 19053 1 68 68 LYS . 19053 1 69 69 ALA . 19053 1 70 70 ALA . 19053 1 71 71 VAL . 19053 1 72 72 ALA . 19053 1 73 73 PHE . 19053 1 74 74 LEU . 19053 1 75 75 GLY . 19053 1 76 76 THR . 19053 1 77 77 ALA . 19053 1 78 78 ILE . 19053 1 79 79 ASP . 19053 1 80 80 ALA . 19053 1 81 81 GLY . 19053 1 82 82 HIS . 19053 1 83 83 THR . 19053 1 84 84 ASN . 19053 1 85 85 VAL . 19053 1 86 86 LEU . 19053 1 87 87 ALA . 19053 1 88 88 LEU . 19053 1 89 89 GLN . 19053 1 90 90 SER . 19053 1 91 91 SER . 19053 1 92 92 ALA . 19053 1 93 93 ALA . 19053 1 94 94 GLY . 19053 1 95 95 SER . 19053 1 96 96 ALA . 19053 1 97 97 THR . 19053 1 98 98 ASN . 19053 1 99 99 VAL . 19053 1 100 100 GLY . 19053 1 101 101 VAL . 19053 1 102 102 GLN . 19053 1 103 103 ILE . 19053 1 104 104 LEU . 19053 1 105 105 ASP . 19053 1 106 106 ARG . 19053 1 107 107 THR . 19053 1 108 108 GLY . 19053 1 109 109 ALA . 19053 1 110 110 ALA . 19053 1 111 111 LEU . 19053 1 112 112 THR . 19053 1 113 113 LEU . 19053 1 114 114 ASP . 19053 1 115 115 GLY . 19053 1 116 116 ALA . 19053 1 117 117 THR . 19053 1 118 118 PHE . 19053 1 119 119 SER . 19053 1 120 120 SER . 19053 1 121 121 GLU . 19053 1 122 122 THR . 19053 1 123 123 THR . 19053 1 124 124 LEU . 19053 1 125 125 ASN . 19053 1 126 126 ASN . 19053 1 127 127 GLY . 19053 1 128 128 THR . 19053 1 129 129 ASN . 19053 1 130 130 THR . 19053 1 131 131 ILE . 19053 1 132 132 PRO . 19053 1 133 133 PHE . 19053 1 134 134 GLN . 19053 1 135 135 ALA . 19053 1 136 136 ARG . 19053 1 137 137 TYR . 19053 1 138 138 PHE . 19053 1 139 139 ALA . 19053 1 140 140 THR . 19053 1 141 141 GLY . 19053 1 142 142 ALA . 19053 1 143 143 ALA . 19053 1 144 144 THR . 19053 1 145 145 PRO . 19053 1 146 146 GLY . 19053 1 147 147 ALA . 19053 1 148 148 ALA . 19053 1 149 149 ASN . 19053 1 150 150 ALA . 19053 1 151 151 ASP . 19053 1 152 152 ALA . 19053 1 153 153 THR . 19053 1 154 154 PHE . 19053 1 155 155 LYS . 19053 1 156 156 VAL . 19053 1 157 157 GLN . 19053 1 158 158 TYR . 19053 1 159 159 GLN . 19053 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 . ALA 1 1 19053 1 . ALA 2 2 19053 1 . THR 3 3 19053 1 . THR 4 4 19053 1 . VAL 5 5 19053 1 . ASN 6 6 19053 1 . GLY 7 7 19053 1 . GLY 8 8 19053 1 . THR 9 9 19053 1 . VAL 10 10 19053 1 . HIS 11 11 19053 1 . PHE 12 12 19053 1 . LYS 13 13 19053 1 . GLY 14 14 19053 1 . GLU 15 15 19053 1 . VAL 16 16 19053 1 . VAL 17 17 19053 1 . ASN 18 18 19053 1 . ALA 19 19 19053 1 . ALA 20 20 19053 1 . CYS 21 21 19053 1 . ALA 22 22 19053 1 . VAL 23 23 19053 1 . ASP 24 24 19053 1 . ALA 25 25 19053 1 . GLY 26 26 19053 1 . SER 27 27 19053 1 . VAL 28 28 19053 1 . ASP 29 29 19053 1 . GLN 30 30 19053 1 . THR 31 31 19053 1 . VAL 32 32 19053 1 . GLN 33 33 19053 1 . LEU 34 34 19053 1 . GLY 35 35 19053 1 . GLN 36 36 19053 1 . VAL 37 37 19053 1 . ARG 38 38 19053 1 . THR 39 39 19053 1 . ALA 40 40 19053 1 . SER 41 41 19053 1 . LEU 42 42 19053 1 . ALA 43 43 19053 1 . GLN 44 44 19053 1 . GLU 45 45 19053 1 . GLY 46 46 19053 1 . ALA 47 47 19053 1 . THR 48 48 19053 1 . SER 49 49 19053 1 . SER 50 50 19053 1 . ALA 51 51 19053 1 . VAL 52 52 19053 1 . GLY 53 53 19053 1 . PHE 54 54 19053 1 . ASN 55 55 19053 1 . ILE 56 56 19053 1 . GLN 57 57 19053 1 . LEU 58 58 19053 1 . ASN 59 59 19053 1 . ASP 60 60 19053 1 . CYS 61 61 19053 1 . ASP 62 62 19053 1 . THR 63 63 19053 1 . ASN 64 64 19053 1 . VAL 65 65 19053 1 . ALA 66 66 19053 1 . SER 67 67 19053 1 . LYS 68 68 19053 1 . ALA 69 69 19053 1 . ALA 70 70 19053 1 . VAL 71 71 19053 1 . ALA 72 72 19053 1 . PHE 73 73 19053 1 . LEU 74 74 19053 1 . GLY 75 75 19053 1 . THR 76 76 19053 1 . ALA 77 77 19053 1 . ILE 78 78 19053 1 . ASP 79 79 19053 1 . ALA 80 80 19053 1 . GLY 81 81 19053 1 . HIS 82 82 19053 1 . THR 83 83 19053 1 . ASN 84 84 19053 1 . VAL 85 85 19053 1 . LEU 86 86 19053 1 . ALA 87 87 19053 1 . LEU 88 88 19053 1 . GLN 89 89 19053 1 . SER 90 90 19053 1 . SER 91 91 19053 1 . ALA 92 92 19053 1 . ALA 93 93 19053 1 . GLY 94 94 19053 1 . SER 95 95 19053 1 . ALA 96 96 19053 1 . THR 97 97 19053 1 . ASN 98 98 19053 1 . VAL 99 99 19053 1 . GLY 100 100 19053 1 . VAL 101 101 19053 1 . GLN 102 102 19053 1 . ILE 103 103 19053 1 . LEU 104 104 19053 1 . ASP 105 105 19053 1 . ARG 106 106 19053 1 . THR 107 107 19053 1 . GLY 108 108 19053 1 . ALA 109 109 19053 1 . ALA 110 110 19053 1 . LEU 111 111 19053 1 . THR 112 112 19053 1 . LEU 113 113 19053 1 . ASP 114 114 19053 1 . GLY 115 115 19053 1 . ALA 116 116 19053 1 . THR 117 117 19053 1 . PHE 118 118 19053 1 . SER 119 119 19053 1 . SER 120 120 19053 1 . GLU 121 121 19053 1 . THR 122 122 19053 1 . THR 123 123 19053 1 . LEU 124 124 19053 1 . ASN 125 125 19053 1 . ASN 126 126 19053 1 . GLY 127 127 19053 1 . THR 128 128 19053 1 . ASN 129 129 19053 1 . THR 130 130 19053 1 . ILE 131 131 19053 1 . PRO 132 132 19053 1 . PHE 133 133 19053 1 . GLN 134 134 19053 1 . ALA 135 135 19053 1 . ARG 136 136 19053 1 . TYR 137 137 19053 1 . PHE 138 138 19053 1 . ALA 139 139 19053 1 . THR 140 140 19053 1 . GLY 141 141 19053 1 . ALA 142 142 19053 1 . ALA 143 143 19053 1 . THR 144 144 19053 1 . PRO 145 145 19053 1 . GLY 146 146 19053 1 . ALA 147 147 19053 1 . ALA 148 148 19053 1 . ASN 149 149 19053 1 . ALA 150 150 19053 1 . ASP 151 151 19053 1 . ALA 152 152 19053 1 . THR 153 153 19053 1 . PHE 154 154 19053 1 . LYS 155 155 19053 1 . VAL 156 156 19053 1 . GLN 157 157 19053 1 . TYR 158 158 19053 1 . GLN 159 159 19053 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19053 _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 $FimA_wt . 562 organism . 'Escherichia coli' Enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19053 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 19053 _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 $FimA_wt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11a . . . . . . 19053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FimA_wt '[U-99% 13C; U-99% 15N]' . . 1 $FimA_wt . . 2 . . mM . . . . 19053 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19053 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 19053 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19053 _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' 0.08 . M 19053 1 pH 7 . pH 19053 1 pressure 1 . atm 19053 1 temperature 273 . K 19053 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19053 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19053 1 Goddard . . 19053 1 'Guntert, Mumenthaler and Wuthrich' . . 19053 1 'Keller and Wuthrich' . . 19053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19053 1 refinement 19053 1 'structure solution' 19053 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19053 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 19053 1 2 spectrometer_2 Bruker Avance . 900 . . . 19053 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19053 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19053 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19053 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19053 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19053 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19053 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19053 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19053 1 2 '2D 1H-13C HSQC' . . . 19053 1 3 '3D HNCA' . . . 19053 1 4 '3D HN(CO)CA' . . . 19053 1 5 '3D HNCACB' . . . 19053 1 6 '3D HCCH-TOCSY' . . . 19053 1 7 '3D 1H-15N TOCSY' . . . 19053 1 8 '3D 1H-15N NOESY' . . . 19053 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 2 2 ALA HB1 H 1 1.450 0.020 . 1 . . . A 2 ALA HB1 . 19053 1 2 . 1 1 2 2 ALA HB2 H 1 1.450 0.020 . 1 . . . A 2 ALA HB2 . 19053 1 3 . 1 1 2 2 ALA HB3 H 1 1.450 0.020 . 1 . . . A 2 ALA HB3 . 19053 1 4 . 1 1 3 3 THR HB H 1 4.194 0.020 . 1 . . . A 3 THR HB . 19053 1 5 . 1 1 3 3 THR HG21 H 1 1.142 0.020 . 1 . . . A 3 THR HG21 . 19053 1 6 . 1 1 3 3 THR HG22 H 1 1.142 0.020 . 1 . . . A 3 THR HG22 . 19053 1 7 . 1 1 3 3 THR HG23 H 1 1.142 0.020 . 1 . . . A 3 THR HG23 . 19053 1 8 . 1 1 4 4 THR HB H 1 4.050 0.020 . 1 . . . A 4 THR HB . 19053 1 9 . 1 1 4 4 THR HG21 H 1 1.050 0.020 . 1 . . . A 4 THR HG21 . 19053 1 10 . 1 1 4 4 THR HG22 H 1 1.050 0.020 . 1 . . . A 4 THR HG22 . 19053 1 11 . 1 1 4 4 THR HG23 H 1 1.050 0.020 . 1 . . . A 4 THR HG23 . 19053 1 12 . 1 1 5 5 VAL HB H 1 1.876 0.020 . 1 . . . A 5 VAL HB . 19053 1 13 . 1 1 5 5 VAL HG11 H 1 0.724 0.020 . 1 . . . A 5 VAL HG11 . 19053 1 14 . 1 1 5 5 VAL HG12 H 1 0.724 0.020 . 1 . . . A 5 VAL HG12 . 19053 1 15 . 1 1 5 5 VAL HG13 H 1 0.724 0.020 . 1 . . . A 5 VAL HG13 . 19053 1 16 . 1 1 5 5 VAL HG21 H 1 0.697 0.020 . 1 . . . A 5 VAL HG21 . 19053 1 17 . 1 1 5 5 VAL HG22 H 1 0.697 0.020 . 1 . . . A 5 VAL HG22 . 19053 1 18 . 1 1 5 5 VAL HG23 H 1 0.697 0.020 . 1 . . . A 5 VAL HG23 . 19053 1 19 . 1 1 6 6 ASN HB2 H 1 2.598 0.020 . 2 . . . A 6 ASN HB2 . 19053 1 20 . 1 1 6 6 ASN HB3 H 1 2.724 0.020 . 2 . . . A 6 ASN HB3 . 19053 1 21 . 1 1 6 6 ASN HD21 H 1 6.812 0.020 . 1 . . . A 6 ASN HD21 . 19053 1 22 . 1 1 6 6 ASN HD22 H 1 7.461 0.020 . 1 . . . A 6 ASN HD22 . 19053 1 23 . 1 1 9 9 THR HB H 1 3.797 0.020 . 1 . . . A 9 THR HB . 19053 1 24 . 1 1 9 9 THR HG21 H 1 0.986 0.020 . 1 . . . A 9 THR HG21 . 19053 1 25 . 1 1 9 9 THR HG22 H 1 0.986 0.020 . 1 . . . A 9 THR HG22 . 19053 1 26 . 1 1 9 9 THR HG23 H 1 0.986 0.020 . 1 . . . A 9 THR HG23 . 19053 1 27 . 1 1 10 10 VAL HB H 1 1.415 0.020 . 1 . . . A 10 VAL HB . 19053 1 28 . 1 1 10 10 VAL HG11 H 1 0.136 0.020 . 1 . . . A 10 VAL HG11 . 19053 1 29 . 1 1 10 10 VAL HG12 H 1 0.136 0.020 . 1 . . . A 10 VAL HG12 . 19053 1 30 . 1 1 10 10 VAL HG13 H 1 0.136 0.020 . 1 . . . A 10 VAL HG13 . 19053 1 31 . 1 1 10 10 VAL HG21 H 1 0.117 0.020 . 1 . . . A 10 VAL HG21 . 19053 1 32 . 1 1 10 10 VAL HG22 H 1 0.117 0.020 . 1 . . . A 10 VAL HG22 . 19053 1 33 . 1 1 10 10 VAL HG23 H 1 0.117 0.020 . 1 . . . A 10 VAL HG23 . 19053 1 34 . 1 1 11 11 HIS HB2 H 1 2.977 0.020 . 2 . . . A 11 HIS HB2 . 19053 1 35 . 1 1 11 11 HIS HB3 H 1 3.353 0.020 . 2 . . . A 11 HIS HB3 . 19053 1 36 . 1 1 11 11 HIS HD2 H 1 7.157 0.020 . 1 . . . A 11 HIS HD2 . 19053 1 37 . 1 1 11 11 HIS HE1 H 1 8.362 0.020 . 1 . . . A 11 HIS HE1 . 19053 1 38 . 1 1 12 12 PHE HB2 H 1 2.940 0.020 . 2 . . . A 12 PHE HB2 . 19053 1 39 . 1 1 12 12 PHE HB3 H 1 2.688 0.020 . 2 . . . A 12 PHE HB3 . 19053 1 40 . 1 1 12 12 PHE HD1 H 1 6.622 0.020 . 1 . . . A 12 PHE HD1 . 19053 1 41 . 1 1 12 12 PHE HD2 H 1 6.622 0.020 . 1 . . . A 12 PHE HD2 . 19053 1 42 . 1 1 12 12 PHE HE1 H 1 6.118 0.020 . 1 . . . A 12 PHE HE1 . 19053 1 43 . 1 1 12 12 PHE HE2 H 1 6.118 0.020 . 1 . . . A 12 PHE HE2 . 19053 1 44 . 1 1 12 12 PHE HZ H 1 6.153 0.020 . 1 . . . A 12 PHE HZ . 19053 1 45 . 1 1 13 13 LYS HB2 H 1 1.751 0.020 . 2 . . . A 13 LYS HB2 . 19053 1 46 . 1 1 13 13 LYS HB3 H 1 1.480 0.020 . 2 . . . A 13 LYS HB3 . 19053 1 47 . 1 1 13 13 LYS HG2 H 1 1.295 0.020 . 1 . . . A 13 LYS HG2 . 19053 1 48 . 1 1 13 13 LYS HG3 H 1 1.295 0.020 . 1 . . . A 13 LYS HG3 . 19053 1 49 . 1 1 13 13 LYS HD2 H 1 1.542 0.020 . 2 . . . A 13 LYS HD2 . 19053 1 50 . 1 1 13 13 LYS HD3 H 1 1.643 0.020 . 2 . . . A 13 LYS HD3 . 19053 1 51 . 1 1 13 13 LYS HE2 H 1 2.839 0.020 . 1 . . . A 13 LYS HE2 . 19053 1 52 . 1 1 13 13 LYS HE3 H 1 2.839 0.020 . 1 . . . A 13 LYS HE3 . 19053 1 53 . 1 1 15 15 GLU HB2 H 1 1.777 0.020 . 2 . . . A 15 GLU HB2 . 19053 1 54 . 1 1 15 15 GLU HB3 H 1 1.873 0.020 . 2 . . . A 15 GLU HB3 . 19053 1 55 . 1 1 15 15 GLU HG2 H 1 2.049 0.020 . 2 . . . A 15 GLU HG2 . 19053 1 56 . 1 1 15 15 GLU HG3 H 1 2.140 0.020 . 2 . . . A 15 GLU HG3 . 19053 1 57 . 1 1 16 16 VAL HB H 1 2.098 0.020 . 1 . . . A 16 VAL HB . 19053 1 58 . 1 1 16 16 VAL HG11 H 1 0.816 0.020 . 1 . . . A 16 VAL HG11 . 19053 1 59 . 1 1 16 16 VAL HG12 H 1 0.816 0.020 . 1 . . . A 16 VAL HG12 . 19053 1 60 . 1 1 16 16 VAL HG13 H 1 0.816 0.020 . 1 . . . A 16 VAL HG13 . 19053 1 61 . 1 1 16 16 VAL HG21 H 1 0.836 0.020 . 1 . . . A 16 VAL HG21 . 19053 1 62 . 1 1 16 16 VAL HG22 H 1 0.836 0.020 . 1 . . . A 16 VAL HG22 . 19053 1 63 . 1 1 16 16 VAL HG23 H 1 0.836 0.020 . 1 . . . A 16 VAL HG23 . 19053 1 64 . 1 1 17 17 VAL HB H 1 2.089 0.020 . 1 . . . A 17 VAL HB . 19053 1 65 . 1 1 17 17 VAL HG11 H 1 0.873 0.020 . 1 . . . A 17 VAL HG11 . 19053 1 66 . 1 1 17 17 VAL HG12 H 1 0.873 0.020 . 1 . . . A 17 VAL HG12 . 19053 1 67 . 1 1 17 17 VAL HG13 H 1 0.873 0.020 . 1 . . . A 17 VAL HG13 . 19053 1 68 . 1 1 17 17 VAL HG21 H 1 0.895 0.020 . 1 . . . A 17 VAL HG21 . 19053 1 69 . 1 1 17 17 VAL HG22 H 1 0.895 0.020 . 1 . . . A 17 VAL HG22 . 19053 1 70 . 1 1 17 17 VAL HG23 H 1 0.895 0.020 . 1 . . . A 17 VAL HG23 . 19053 1 71 . 1 1 18 18 ASN HB2 H 1 2.710 0.020 . 2 . . . A 18 ASN HB2 . 19053 1 72 . 1 1 18 18 ASN HB3 H 1 2.789 0.020 . 2 . . . A 18 ASN HB3 . 19053 1 73 . 1 1 18 18 ASN HD21 H 1 6.895 0.020 . 1 . . . A 18 ASN HD21 . 19053 1 74 . 1 1 18 18 ASN HD22 H 1 7.534 0.020 . 1 . . . A 18 ASN HD22 . 19053 1 75 . 1 1 19 19 ALA HB1 H 1 1.425 0.020 . 1 . . . A 19 ALA HB1 . 19053 1 76 . 1 1 19 19 ALA HB2 H 1 1.425 0.020 . 1 . . . A 19 ALA HB2 . 19053 1 77 . 1 1 19 19 ALA HB3 H 1 1.425 0.020 . 1 . . . A 19 ALA HB3 . 19053 1 78 . 1 1 20 20 ALA HB1 H 1 0.764 0.020 . 1 . . . A 20 ALA HB1 . 19053 1 79 . 1 1 20 20 ALA HB2 H 1 0.764 0.020 . 1 . . . A 20 ALA HB2 . 19053 1 80 . 1 1 20 20 ALA HB3 H 1 0.764 0.020 . 1 . . . A 20 ALA HB3 . 19053 1 81 . 1 1 21 21 CYS HB2 H 1 3.483 0.020 . 2 . . . A 21 CYS HB2 . 19053 1 82 . 1 1 21 21 CYS HB3 H 1 3.013 0.020 . 2 . . . A 21 CYS HB3 . 19053 1 83 . 1 1 22 22 ALA HB1 H 1 1.278 0.020 . 1 . . . A 22 ALA HB1 . 19053 1 84 . 1 1 22 22 ALA HB2 H 1 1.278 0.020 . 1 . . . A 22 ALA HB2 . 19053 1 85 . 1 1 22 22 ALA HB3 H 1 1.278 0.020 . 1 . . . A 22 ALA HB3 . 19053 1 86 . 1 1 23 23 VAL HB H 1 1.858 0.020 . 1 . . . A 23 VAL HB . 19053 1 87 . 1 1 23 23 VAL HG11 H 1 1.078 0.020 . 1 . . . A 23 VAL HG11 . 19053 1 88 . 1 1 23 23 VAL HG12 H 1 1.078 0.020 . 1 . . . A 23 VAL HG12 . 19053 1 89 . 1 1 23 23 VAL HG13 H 1 1.078 0.020 . 1 . . . A 23 VAL HG13 . 19053 1 90 . 1 1 23 23 VAL HG21 H 1 1.036 0.020 . 1 . . . A 23 VAL HG21 . 19053 1 91 . 1 1 23 23 VAL HG22 H 1 1.036 0.020 . 1 . . . A 23 VAL HG22 . 19053 1 92 . 1 1 23 23 VAL HG23 H 1 1.036 0.020 . 1 . . . A 23 VAL HG23 . 19053 1 93 . 1 1 24 24 ASP HB2 H 1 2.543 0.020 . 1 . . . A 24 ASP HB2 . 19053 1 94 . 1 1 24 24 ASP HB3 H 1 2.543 0.020 . 1 . . . A 24 ASP HB3 . 19053 1 95 . 1 1 25 25 ALA HB1 H 1 1.455 0.020 . 1 . . . A 25 ALA HB1 . 19053 1 96 . 1 1 25 25 ALA HB2 H 1 1.455 0.020 . 1 . . . A 25 ALA HB2 . 19053 1 97 . 1 1 25 25 ALA HB3 H 1 1.455 0.020 . 1 . . . A 25 ALA HB3 . 19053 1 98 . 1 1 27 27 SER HB2 H 1 4.160 0.020 . 2 . . . A 27 SER HB2 . 19053 1 99 . 1 1 27 27 SER HB3 H 1 3.819 0.020 . 2 . . . A 27 SER HB3 . 19053 1 100 . 1 1 28 28 VAL HB H 1 2.018 0.020 . 1 . . . A 28 VAL HB . 19053 1 101 . 1 1 28 28 VAL HG11 H 1 0.924 0.020 . 1 . . . A 28 VAL HG11 . 19053 1 102 . 1 1 28 28 VAL HG12 H 1 0.924 0.020 . 1 . . . A 28 VAL HG12 . 19053 1 103 . 1 1 28 28 VAL HG13 H 1 0.924 0.020 . 1 . . . A 28 VAL HG13 . 19053 1 104 . 1 1 28 28 VAL HG21 H 1 0.952 0.020 . 1 . . . A 28 VAL HG21 . 19053 1 105 . 1 1 28 28 VAL HG22 H 1 0.952 0.020 . 1 . . . A 28 VAL HG22 . 19053 1 106 . 1 1 28 28 VAL HG23 H 1 0.952 0.020 . 1 . . . A 28 VAL HG23 . 19053 1 107 . 1 1 29 29 ASP HB2 H 1 2.505 0.020 . 2 . . . A 29 ASP HB2 . 19053 1 108 . 1 1 29 29 ASP HB3 H 1 2.937 0.020 . 2 . . . A 29 ASP HB3 . 19053 1 109 . 1 1 30 30 GLN HB2 H 1 2.141 0.020 . 2 . . . A 30 GLN HB2 . 19053 1 110 . 1 1 30 30 GLN HB3 H 1 2.412 0.020 . 2 . . . A 30 GLN HB3 . 19053 1 111 . 1 1 30 30 GLN HG2 H 1 2.097 0.020 . 2 . . . A 30 GLN HG2 . 19053 1 112 . 1 1 30 30 GLN HG3 H 1 2.342 0.020 . 2 . . . A 30 GLN HG3 . 19053 1 113 . 1 1 30 30 GLN HE21 H 1 7.323 0.020 . 1 . . . A 30 GLN HE21 . 19053 1 114 . 1 1 30 30 GLN HE22 H 1 7.393 0.020 . 1 . . . A 30 GLN HE22 . 19053 1 115 . 1 1 31 31 THR HB H 1 3.856 0.020 . 1 . . . A 31 THR HB . 19053 1 116 . 1 1 31 31 THR HG21 H 1 0.920 0.020 . 1 . . . A 31 THR HG21 . 19053 1 117 . 1 1 31 31 THR HG22 H 1 0.920 0.020 . 1 . . . A 31 THR HG22 . 19053 1 118 . 1 1 31 31 THR HG23 H 1 0.920 0.020 . 1 . . . A 31 THR HG23 . 19053 1 119 . 1 1 32 32 VAL HB H 1 1.670 0.020 . 1 . . . A 32 VAL HB . 19053 1 120 . 1 1 32 32 VAL HG11 H 1 0.568 0.020 . 1 . . . A 32 VAL HG11 . 19053 1 121 . 1 1 32 32 VAL HG12 H 1 0.568 0.020 . 1 . . . A 32 VAL HG12 . 19053 1 122 . 1 1 32 32 VAL HG13 H 1 0.568 0.020 . 1 . . . A 32 VAL HG13 . 19053 1 123 . 1 1 32 32 VAL HG21 H 1 0.664 0.020 . 1 . . . A 32 VAL HG21 . 19053 1 124 . 1 1 32 32 VAL HG22 H 1 0.664 0.020 . 1 . . . A 32 VAL HG22 . 19053 1 125 . 1 1 32 32 VAL HG23 H 1 0.664 0.020 . 1 . . . A 32 VAL HG23 . 19053 1 126 . 1 1 33 33 GLN HB2 H 1 2.111 0.020 . 2 . . . A 33 GLN HB2 . 19053 1 127 . 1 1 33 33 GLN HB3 H 1 1.929 0.020 . 2 . . . A 33 GLN HB3 . 19053 1 128 . 1 1 33 33 GLN HG2 H 1 2.331 0.020 . 1 . . . A 33 GLN HG2 . 19053 1 129 . 1 1 33 33 GLN HG3 H 1 2.331 0.020 . 1 . . . A 33 GLN HG3 . 19053 1 130 . 1 1 33 33 GLN HE21 H 1 7.519 0.020 . 1 . . . A 33 GLN HE21 . 19053 1 131 . 1 1 33 33 GLN HE22 H 1 6.747 0.020 . 1 . . . A 33 GLN HE22 . 19053 1 132 . 1 1 34 34 LEU HB2 H 1 1.308 0.020 . 2 . . . A 34 LEU HB2 . 19053 1 133 . 1 1 34 34 LEU HB3 H 1 0.986 0.020 . 2 . . . A 34 LEU HB3 . 19053 1 134 . 1 1 34 34 LEU HG H 1 1.157 0.020 . 1 . . . A 34 LEU HG . 19053 1 135 . 1 1 34 34 LEU HD11 H 1 0.213 0.020 . 1 . . . A 34 LEU HD11 . 19053 1 136 . 1 1 34 34 LEU HD12 H 1 0.213 0.020 . 1 . . . A 34 LEU HD12 . 19053 1 137 . 1 1 34 34 LEU HD13 H 1 0.213 0.020 . 1 . . . A 34 LEU HD13 . 19053 1 138 . 1 1 34 34 LEU HD21 H 1 0.108 0.020 . 1 . . . A 34 LEU HD21 . 19053 1 139 . 1 1 34 34 LEU HD22 H 1 0.108 0.020 . 1 . . . A 34 LEU HD22 . 19053 1 140 . 1 1 34 34 LEU HD23 H 1 0.108 0.020 . 1 . . . A 34 LEU HD23 . 19053 1 141 . 1 1 36 36 GLN HB2 H 1 1.898 0.020 . 1 . . . A 36 GLN HB2 . 19053 1 142 . 1 1 36 36 GLN HB3 H 1 1.898 0.020 . 1 . . . A 36 GLN HB3 . 19053 1 143 . 1 1 36 36 GLN HG2 H 1 2.345 0.020 . 2 . . . A 36 GLN HG2 . 19053 1 144 . 1 1 36 36 GLN HG3 H 1 2.227 0.020 . 2 . . . A 36 GLN HG3 . 19053 1 145 . 1 1 36 36 GLN HE21 H 1 7.458 0.020 . 1 . . . A 36 GLN HE21 . 19053 1 146 . 1 1 36 36 GLN HE22 H 1 6.819 0.020 . 1 . . . A 36 GLN HE22 . 19053 1 147 . 1 1 37 37 VAL HB H 1 1.802 0.020 . 1 . . . A 37 VAL HB . 19053 1 148 . 1 1 37 37 VAL HG11 H 1 0.399 0.020 . 1 . . . A 37 VAL HG11 . 19053 1 149 . 1 1 37 37 VAL HG12 H 1 0.399 0.020 . 1 . . . A 37 VAL HG12 . 19053 1 150 . 1 1 37 37 VAL HG13 H 1 0.399 0.020 . 1 . . . A 37 VAL HG13 . 19053 1 151 . 1 1 38 38 ARG HB2 H 1 1.744 0.020 . 2 . . . A 38 ARG HB2 . 19053 1 152 . 1 1 38 38 ARG HB3 H 1 1.833 0.020 . 2 . . . A 38 ARG HB3 . 19053 1 153 . 1 1 38 38 ARG HG2 H 1 1.474 0.020 . 2 . . . A 38 ARG HG2 . 19053 1 154 . 1 1 38 38 ARG HG3 H 1 1.634 0.020 . 2 . . . A 38 ARG HG3 . 19053 1 155 . 1 1 38 38 ARG HD2 H 1 3.151 0.020 . 1 . . . A 38 ARG HD2 . 19053 1 156 . 1 1 38 38 ARG HD3 H 1 3.151 0.020 . 1 . . . A 38 ARG HD3 . 19053 1 157 . 1 1 38 38 ARG HE H 1 7.152 0.020 . 1 . . . A 38 ARG HE . 19053 1 158 . 1 1 39 39 THR HB H 1 3.975 0.020 . 1 . . . A 39 THR HB . 19053 1 159 . 1 1 39 39 THR HG21 H 1 0.814 0.020 . 1 . . . A 39 THR HG21 . 19053 1 160 . 1 1 39 39 THR HG22 H 1 0.814 0.020 . 1 . . . A 39 THR HG22 . 19053 1 161 . 1 1 39 39 THR HG23 H 1 0.814 0.020 . 1 . . . A 39 THR HG23 . 19053 1 162 . 1 1 40 40 ALA HB1 H 1 1.316 0.020 . 1 . . . A 40 ALA HB1 . 19053 1 163 . 1 1 40 40 ALA HB2 H 1 1.316 0.020 . 1 . . . A 40 ALA HB2 . 19053 1 164 . 1 1 40 40 ALA HB3 H 1 1.316 0.020 . 1 . . . A 40 ALA HB3 . 19053 1 165 . 1 1 41 41 SER HB2 H 1 3.932 0.020 . 2 . . . A 41 SER HB2 . 19053 1 166 . 1 1 41 41 SER HB3 H 1 3.835 0.020 . 2 . . . A 41 SER HB3 . 19053 1 167 . 1 1 42 42 LEU HB2 H 1 1.207 0.020 . 2 . . . A 42 LEU HB2 . 19053 1 168 . 1 1 42 42 LEU HB3 H 1 1.295 0.020 . 2 . . . A 42 LEU HB3 . 19053 1 169 . 1 1 42 42 LEU HG H 1 1.270 0.020 . 1 . . . A 42 LEU HG . 19053 1 170 . 1 1 42 42 LEU HD11 H 1 0.464 0.020 . 1 . . . A 42 LEU HD11 . 19053 1 171 . 1 1 42 42 LEU HD12 H 1 0.464 0.020 . 1 . . . A 42 LEU HD12 . 19053 1 172 . 1 1 42 42 LEU HD13 H 1 0.464 0.020 . 1 . . . A 42 LEU HD13 . 19053 1 173 . 1 1 42 42 LEU HD21 H 1 0.483 0.020 . 1 . . . A 42 LEU HD21 . 19053 1 174 . 1 1 42 42 LEU HD22 H 1 0.483 0.020 . 1 . . . A 42 LEU HD22 . 19053 1 175 . 1 1 42 42 LEU HD23 H 1 0.483 0.020 . 1 . . . A 42 LEU HD23 . 19053 1 176 . 1 1 43 43 ALA HB1 H 1 1.282 0.020 . 1 . . . A 43 ALA HB1 . 19053 1 177 . 1 1 43 43 ALA HB2 H 1 1.282 0.020 . 1 . . . A 43 ALA HB2 . 19053 1 178 . 1 1 43 43 ALA HB3 H 1 1.282 0.020 . 1 . . . A 43 ALA HB3 . 19053 1 179 . 1 1 44 44 GLN HB2 H 1 2.033 0.020 . 2 . . . A 44 GLN HB2 . 19053 1 180 . 1 1 44 44 GLN HB3 H 1 1.784 0.020 . 2 . . . A 44 GLN HB3 . 19053 1 181 . 1 1 44 44 GLN HG2 H 1 2.020 0.020 . 1 . . . A 44 GLN HG2 . 19053 1 182 . 1 1 44 44 GLN HG3 H 1 2.020 0.020 . 1 . . . A 44 GLN HG3 . 19053 1 183 . 1 1 44 44 GLN HE21 H 1 6.718 0.020 . 1 . . . A 44 GLN HE21 . 19053 1 184 . 1 1 44 44 GLN HE22 H 1 7.406 0.020 . 1 . . . A 44 GLN HE22 . 19053 1 185 . 1 1 45 45 GLU HB2 H 1 1.709 0.020 . 2 . . . A 45 GLU HB2 . 19053 1 186 . 1 1 45 45 GLU HB3 H 1 1.787 0.020 . 2 . . . A 45 GLU HB3 . 19053 1 187 . 1 1 45 45 GLU HG2 H 1 2.233 0.020 . 1 . . . A 45 GLU HG2 . 19053 1 188 . 1 1 45 45 GLU HG3 H 1 2.233 0.020 . 1 . . . A 45 GLU HG3 . 19053 1 189 . 1 1 47 47 ALA HB1 H 1 1.505 0.020 . 1 . . . A 47 ALA HB1 . 19053 1 190 . 1 1 47 47 ALA HB2 H 1 1.505 0.020 . 1 . . . A 47 ALA HB2 . 19053 1 191 . 1 1 47 47 ALA HB3 H 1 1.505 0.020 . 1 . . . A 47 ALA HB3 . 19053 1 192 . 1 1 48 48 THR HB H 1 4.288 0.020 . 1 . . . A 48 THR HB . 19053 1 193 . 1 1 48 48 THR HG21 H 1 1.204 0.020 . 1 . . . A 48 THR HG21 . 19053 1 194 . 1 1 48 48 THR HG22 H 1 1.204 0.020 . 1 . . . A 48 THR HG22 . 19053 1 195 . 1 1 48 48 THR HG23 H 1 1.204 0.020 . 1 . . . A 48 THR HG23 . 19053 1 196 . 1 1 49 49 SER HB2 H 1 4.566 0.020 . 2 . . . A 49 SER HB2 . 19053 1 197 . 1 1 49 49 SER HB3 H 1 3.926 0.020 . 2 . . . A 49 SER HB3 . 19053 1 198 . 1 1 50 50 SER HB2 H 1 3.966 0.020 . 2 . . . A 50 SER HB2 . 19053 1 199 . 1 1 50 50 SER HB3 H 1 3.877 0.020 . 2 . . . A 50 SER HB3 . 19053 1 200 . 1 1 51 51 ALA HB1 H 1 1.190 0.020 . 1 . . . A 51 ALA HB1 . 19053 1 201 . 1 1 51 51 ALA HB2 H 1 1.190 0.020 . 1 . . . A 51 ALA HB2 . 19053 1 202 . 1 1 51 51 ALA HB3 H 1 1.190 0.020 . 1 . . . A 51 ALA HB3 . 19053 1 203 . 1 1 52 52 VAL HB H 1 1.932 0.020 . 1 . . . A 52 VAL HB . 19053 1 204 . 1 1 52 52 VAL HG11 H 1 0.945 0.020 . 1 . . . A 52 VAL HG11 . 19053 1 205 . 1 1 52 52 VAL HG12 H 1 0.945 0.020 . 1 . . . A 52 VAL HG12 . 19053 1 206 . 1 1 52 52 VAL HG13 H 1 0.945 0.020 . 1 . . . A 52 VAL HG13 . 19053 1 207 . 1 1 52 52 VAL HG21 H 1 0.993 0.020 . 1 . . . A 52 VAL HG21 . 19053 1 208 . 1 1 52 52 VAL HG22 H 1 0.993 0.020 . 1 . . . A 52 VAL HG22 . 19053 1 209 . 1 1 52 52 VAL HG23 H 1 0.993 0.020 . 1 . . . A 52 VAL HG23 . 19053 1 210 . 1 1 54 54 PHE HB2 H 1 3.023 0.020 . 1 . . . A 54 PHE HB2 . 19053 1 211 . 1 1 54 54 PHE HB3 H 1 3.023 0.020 . 1 . . . A 54 PHE HB3 . 19053 1 212 . 1 1 54 54 PHE HD1 H 1 6.649 0.020 . 1 . . . A 54 PHE HD1 . 19053 1 213 . 1 1 54 54 PHE HD2 H 1 6.649 0.020 . 1 . . . A 54 PHE HD2 . 19053 1 214 . 1 1 55 55 ASN HB2 H 1 2.199 0.020 . 2 . . . A 55 ASN HB2 . 19053 1 215 . 1 1 55 55 ASN HB3 H 1 2.421 0.020 . 2 . . . A 55 ASN HB3 . 19053 1 216 . 1 1 55 55 ASN HD21 H 1 6.633 0.020 . 1 . . . A 55 ASN HD21 . 19053 1 217 . 1 1 55 55 ASN HD22 H 1 7.352 0.020 . 1 . . . A 55 ASN HD22 . 19053 1 218 . 1 1 56 56 ILE HB H 1 1.560 0.020 . 1 . . . A 56 ILE HB . 19053 1 219 . 1 1 56 56 ILE HG13 H 1 1.083 0.020 . 1 . . . A 56 ILE HG13 . 19053 1 220 . 1 1 56 56 ILE HG21 H 1 0.499 0.020 . 1 . . . A 56 ILE HG21 . 19053 1 221 . 1 1 56 56 ILE HG22 H 1 0.499 0.020 . 1 . . . A 56 ILE HG22 . 19053 1 222 . 1 1 56 56 ILE HG23 H 1 0.499 0.020 . 1 . . . A 56 ILE HG23 . 19053 1 223 . 1 1 56 56 ILE HD11 H 1 -0.378 0.020 . 1 . . . A 56 ILE HD11 . 19053 1 224 . 1 1 56 56 ILE HD12 H 1 -0.378 0.020 . 1 . . . A 56 ILE HD12 . 19053 1 225 . 1 1 56 56 ILE HD13 H 1 -0.378 0.020 . 1 . . . A 56 ILE HD13 . 19053 1 226 . 1 1 57 57 GLN HB2 H 1 1.859 0.020 . 1 . . . A 57 GLN HB2 . 19053 1 227 . 1 1 57 57 GLN HB3 H 1 1.859 0.020 . 1 . . . A 57 GLN HB3 . 19053 1 228 . 1 1 57 57 GLN HG2 H 1 2.040 0.020 . 2 . . . A 57 GLN HG2 . 19053 1 229 . 1 1 57 57 GLN HG3 H 1 2.135 0.020 . 2 . . . A 57 GLN HG3 . 19053 1 230 . 1 1 57 57 GLN HE21 H 1 8.259 0.020 . 1 . . . A 57 GLN HE21 . 19053 1 231 . 1 1 57 57 GLN HE22 H 1 6.737 0.020 . 1 . . . A 57 GLN HE22 . 19053 1 232 . 1 1 58 58 LEU HB2 H 1 1.357 0.020 . 2 . . . A 58 LEU HB2 . 19053 1 233 . 1 1 58 58 LEU HB3 H 1 1.763 0.020 . 2 . . . A 58 LEU HB3 . 19053 1 234 . 1 1 58 58 LEU HG H 1 1.595 0.020 . 1 . . . A 58 LEU HG . 19053 1 235 . 1 1 58 58 LEU HD11 H 1 0.828 0.020 . 1 . . . A 58 LEU HD11 . 19053 1 236 . 1 1 58 58 LEU HD12 H 1 0.828 0.020 . 1 . . . A 58 LEU HD12 . 19053 1 237 . 1 1 58 58 LEU HD13 H 1 0.828 0.020 . 1 . . . A 58 LEU HD13 . 19053 1 238 . 1 1 58 58 LEU HD21 H 1 0.798 0.020 . 1 . . . A 58 LEU HD21 . 19053 1 239 . 1 1 58 58 LEU HD22 H 1 0.798 0.020 . 1 . . . A 58 LEU HD22 . 19053 1 240 . 1 1 58 58 LEU HD23 H 1 0.798 0.020 . 1 . . . A 58 LEU HD23 . 19053 1 241 . 1 1 59 59 ASN HB2 H 1 2.593 0.020 . 2 . . . A 59 ASN HB2 . 19053 1 242 . 1 1 59 59 ASN HB3 H 1 2.734 0.020 . 2 . . . A 59 ASN HB3 . 19053 1 243 . 1 1 59 59 ASN HD21 H 1 7.492 0.020 . 1 . . . A 59 ASN HD21 . 19053 1 244 . 1 1 59 59 ASN HD22 H 1 8.388 0.020 . 1 . . . A 59 ASN HD22 . 19053 1 245 . 1 1 60 60 ASP HB2 H 1 2.877 0.020 . 2 . . . A 60 ASP HB2 . 19053 1 246 . 1 1 60 60 ASP HB3 H 1 2.608 0.020 . 2 . . . A 60 ASP HB3 . 19053 1 247 . 1 1 61 61 CYS HB2 H 1 3.290 0.020 . 2 . . . A 61 CYS HB2 . 19053 1 248 . 1 1 61 61 CYS HB3 H 1 2.392 0.020 . 2 . . . A 61 CYS HB3 . 19053 1 249 . 1 1 62 62 ASP HB2 H 1 2.547 0.020 . 2 . . . A 62 ASP HB2 . 19053 1 250 . 1 1 62 62 ASP HB3 H 1 2.940 0.020 . 2 . . . A 62 ASP HB3 . 19053 1 251 . 1 1 63 63 THR HB H 1 4.386 0.020 . 1 . . . A 63 THR HB . 19053 1 252 . 1 1 63 63 THR HG21 H 1 0.892 0.020 . 1 . . . A 63 THR HG21 . 19053 1 253 . 1 1 63 63 THR HG22 H 1 0.892 0.020 . 1 . . . A 63 THR HG22 . 19053 1 254 . 1 1 63 63 THR HG23 H 1 0.892 0.020 . 1 . . . A 63 THR HG23 . 19053 1 255 . 1 1 64 64 ASN HB2 H 1 2.883 0.020 . 2 . . . A 64 ASN HB2 . 19053 1 256 . 1 1 64 64 ASN HB3 H 1 2.666 0.020 . 2 . . . A 64 ASN HB3 . 19053 1 257 . 1 1 64 64 ASN HD21 H 1 6.864 0.020 . 1 . . . A 64 ASN HD21 . 19053 1 258 . 1 1 64 64 ASN HD22 H 1 7.958 0.020 . 1 . . . A 64 ASN HD22 . 19053 1 259 . 1 1 65 65 VAL HB H 1 2.036 0.020 . 1 . . . A 65 VAL HB . 19053 1 260 . 1 1 65 65 VAL HG11 H 1 0.789 0.020 . 1 . . . A 65 VAL HG11 . 19053 1 261 . 1 1 65 65 VAL HG12 H 1 0.789 0.020 . 1 . . . A 65 VAL HG12 . 19053 1 262 . 1 1 65 65 VAL HG13 H 1 0.789 0.020 . 1 . . . A 65 VAL HG13 . 19053 1 263 . 1 1 65 65 VAL HG21 H 1 0.764 0.020 . 1 . . . A 65 VAL HG21 . 19053 1 264 . 1 1 65 65 VAL HG22 H 1 0.764 0.020 . 1 . . . A 65 VAL HG22 . 19053 1 265 . 1 1 65 65 VAL HG23 H 1 0.764 0.020 . 1 . . . A 65 VAL HG23 . 19053 1 266 . 1 1 66 66 ALA HB1 H 1 1.210 0.020 . 1 . . . A 66 ALA HB1 . 19053 1 267 . 1 1 66 66 ALA HB2 H 1 1.210 0.020 . 1 . . . A 66 ALA HB2 . 19053 1 268 . 1 1 66 66 ALA HB3 H 1 1.210 0.020 . 1 . . . A 66 ALA HB3 . 19053 1 269 . 1 1 67 67 SER HB2 H 1 3.959 0.020 . 2 . . . A 67 SER HB2 . 19053 1 270 . 1 1 67 67 SER HB3 H 1 3.812 0.020 . 2 . . . A 67 SER HB3 . 19053 1 271 . 1 1 68 68 LYS HB2 H 1 1.476 0.020 . 2 . . . A 68 LYS HB2 . 19053 1 272 . 1 1 68 68 LYS HB3 H 1 1.553 0.020 . 2 . . . A 68 LYS HB3 . 19053 1 273 . 1 1 68 68 LYS HG3 H 1 1.268 0.020 . 1 . . . A 68 LYS HG3 . 19053 1 274 . 1 1 68 68 LYS HD2 H 1 1.309 0.020 . 2 . . . A 68 LYS HD2 . 19053 1 275 . 1 1 68 68 LYS HD3 H 1 1.459 0.020 . 2 . . . A 68 LYS HD3 . 19053 1 276 . 1 1 68 68 LYS HE3 H 1 2.772 0.020 . 1 . . . A 68 LYS HE3 . 19053 1 277 . 1 1 69 69 ALA HB1 H 1 1.006 0.020 . 1 . . . A 69 ALA HB1 . 19053 1 278 . 1 1 69 69 ALA HB2 H 1 1.006 0.020 . 1 . . . A 69 ALA HB2 . 19053 1 279 . 1 1 69 69 ALA HB3 H 1 1.006 0.020 . 1 . . . A 69 ALA HB3 . 19053 1 280 . 1 1 70 70 ALA HB1 H 1 1.391 0.020 . 1 . . . A 70 ALA HB1 . 19053 1 281 . 1 1 70 70 ALA HB2 H 1 1.391 0.020 . 1 . . . A 70 ALA HB2 . 19053 1 282 . 1 1 70 70 ALA HB3 H 1 1.391 0.020 . 1 . . . A 70 ALA HB3 . 19053 1 283 . 1 1 71 71 VAL HB H 1 1.735 0.020 . 1 . . . A 71 VAL HB . 19053 1 284 . 1 1 71 71 VAL HG11 H 1 0.756 0.020 . 1 . . . A 71 VAL HG11 . 19053 1 285 . 1 1 71 71 VAL HG12 H 1 0.756 0.020 . 1 . . . A 71 VAL HG12 . 19053 1 286 . 1 1 71 71 VAL HG13 H 1 0.756 0.020 . 1 . . . A 71 VAL HG13 . 19053 1 287 . 1 1 71 71 VAL HG21 H 1 -0.030 0.020 . 1 . . . A 71 VAL HG21 . 19053 1 288 . 1 1 71 71 VAL HG22 H 1 -0.030 0.020 . 1 . . . A 71 VAL HG22 . 19053 1 289 . 1 1 71 71 VAL HG23 H 1 -0.030 0.020 . 1 . . . A 71 VAL HG23 . 19053 1 290 . 1 1 72 72 ALA HB1 H 1 -0.120 0.020 . 1 . . . A 72 ALA HB1 . 19053 1 291 . 1 1 72 72 ALA HB2 H 1 -0.120 0.020 . 1 . . . A 72 ALA HB2 . 19053 1 292 . 1 1 72 72 ALA HB3 H 1 -0.120 0.020 . 1 . . . A 72 ALA HB3 . 19053 1 293 . 1 1 73 73 PHE HB2 H 1 2.646 0.020 . 2 . . . A 73 PHE HB2 . 19053 1 294 . 1 1 73 73 PHE HB3 H 1 2.567 0.020 . 2 . . . A 73 PHE HB3 . 19053 1 295 . 1 1 73 73 PHE HD1 H 1 6.901 0.020 . 1 . . . A 73 PHE HD1 . 19053 1 296 . 1 1 73 73 PHE HD2 H 1 6.901 0.020 . 1 . . . A 73 PHE HD2 . 19053 1 297 . 1 1 73 73 PHE HE1 H 1 6.087 0.020 . 1 . . . A 73 PHE HE1 . 19053 1 298 . 1 1 73 73 PHE HE2 H 1 6.087 0.020 . 1 . . . A 73 PHE HE2 . 19053 1 299 . 1 1 73 73 PHE HZ H 1 5.181 0.020 . 1 . . . A 73 PHE HZ . 19053 1 300 . 1 1 74 74 LEU HB2 H 1 1.005 0.020 . 2 . . . A 74 LEU HB2 . 19053 1 301 . 1 1 74 74 LEU HB3 H 1 1.698 0.020 . 2 . . . A 74 LEU HB3 . 19053 1 302 . 1 1 74 74 LEU HG H 1 1.239 0.020 . 1 . . . A 74 LEU HG . 19053 1 303 . 1 1 74 74 LEU HD11 H 1 0.737 0.020 . 1 . . . A 74 LEU HD11 . 19053 1 304 . 1 1 74 74 LEU HD12 H 1 0.737 0.020 . 1 . . . A 74 LEU HD12 . 19053 1 305 . 1 1 74 74 LEU HD13 H 1 0.737 0.020 . 1 . . . A 74 LEU HD13 . 19053 1 306 . 1 1 74 74 LEU HD21 H 1 0.697 0.020 . 1 . . . A 74 LEU HD21 . 19053 1 307 . 1 1 74 74 LEU HD22 H 1 0.697 0.020 . 1 . . . A 74 LEU HD22 . 19053 1 308 . 1 1 74 74 LEU HD23 H 1 0.697 0.020 . 1 . . . A 74 LEU HD23 . 19053 1 309 . 1 1 76 76 THR HB H 1 3.911 0.020 . 1 . . . A 76 THR HB . 19053 1 310 . 1 1 76 76 THR HG21 H 1 1.192 0.020 . 1 . . . A 76 THR HG21 . 19053 1 311 . 1 1 76 76 THR HG22 H 1 1.192 0.020 . 1 . . . A 76 THR HG22 . 19053 1 312 . 1 1 76 76 THR HG23 H 1 1.192 0.020 . 1 . . . A 76 THR HG23 . 19053 1 313 . 1 1 77 77 ALA HB1 H 1 1.432 0.020 . 1 . . . A 77 ALA HB1 . 19053 1 314 . 1 1 77 77 ALA HB2 H 1 1.432 0.020 . 1 . . . A 77 ALA HB2 . 19053 1 315 . 1 1 77 77 ALA HB3 H 1 1.432 0.020 . 1 . . . A 77 ALA HB3 . 19053 1 316 . 1 1 78 78 ILE HB H 1 1.353 0.020 . 1 . . . A 78 ILE HB . 19053 1 317 . 1 1 78 78 ILE HG12 H 1 1.140 0.020 . 2 . . . A 78 ILE HG12 . 19053 1 318 . 1 1 78 78 ILE HG13 H 1 1.622 0.020 . 2 . . . A 78 ILE HG13 . 19053 1 319 . 1 1 78 78 ILE HG21 H 1 0.956 0.020 . 1 . . . A 78 ILE HG21 . 19053 1 320 . 1 1 78 78 ILE HG22 H 1 0.956 0.020 . 1 . . . A 78 ILE HG22 . 19053 1 321 . 1 1 78 78 ILE HG23 H 1 0.956 0.020 . 1 . . . A 78 ILE HG23 . 19053 1 322 . 1 1 78 78 ILE HD11 H 1 0.641 0.020 . 1 . . . A 78 ILE HD11 . 19053 1 323 . 1 1 78 78 ILE HD12 H 1 0.641 0.020 . 1 . . . A 78 ILE HD12 . 19053 1 324 . 1 1 78 78 ILE HD13 H 1 0.641 0.020 . 1 . . . A 78 ILE HD13 . 19053 1 325 . 1 1 79 79 ASP HB2 H 1 3.170 0.020 . 2 . . . A 79 ASP HB2 . 19053 1 326 . 1 1 79 79 ASP HB3 H 1 2.965 0.020 . 2 . . . A 79 ASP HB3 . 19053 1 327 . 1 1 80 80 ALA HB1 H 1 1.357 0.020 . 1 . . . A 80 ALA HB1 . 19053 1 328 . 1 1 80 80 ALA HB2 H 1 1.357 0.020 . 1 . . . A 80 ALA HB2 . 19053 1 329 . 1 1 80 80 ALA HB3 H 1 1.357 0.020 . 1 . . . A 80 ALA HB3 . 19053 1 330 . 1 1 82 82 HIS HB2 H 1 2.727 0.020 . 2 . . . A 82 HIS HB2 . 19053 1 331 . 1 1 82 82 HIS HB3 H 1 2.894 0.020 . 2 . . . A 82 HIS HB3 . 19053 1 332 . 1 1 82 82 HIS HD2 H 1 7.232 0.020 . 1 . . . A 82 HIS HD2 . 19053 1 333 . 1 1 82 82 HIS HE1 H 1 8.645 0.020 . 1 . . . A 82 HIS HE1 . 19053 1 334 . 1 1 83 83 THR HB H 1 4.455 0.020 . 1 . . . A 83 THR HB . 19053 1 335 . 1 1 83 83 THR HG21 H 1 1.200 0.020 . 1 . . . A 83 THR HG21 . 19053 1 336 . 1 1 83 83 THR HG22 H 1 1.200 0.020 . 1 . . . A 83 THR HG22 . 19053 1 337 . 1 1 83 83 THR HG23 H 1 1.200 0.020 . 1 . . . A 83 THR HG23 . 19053 1 338 . 1 1 84 84 ASN HB2 H 1 2.902 0.020 . 2 . . . A 84 ASN HB2 . 19053 1 339 . 1 1 84 84 ASN HB3 H 1 2.395 0.020 . 2 . . . A 84 ASN HB3 . 19053 1 340 . 1 1 84 84 ASN HD21 H 1 6.660 0.020 . 1 . . . A 84 ASN HD21 . 19053 1 341 . 1 1 84 84 ASN HD22 H 1 7.241 0.020 . 1 . . . A 84 ASN HD22 . 19053 1 342 . 1 1 85 85 VAL HB H 1 1.931 0.020 . 1 . . . A 85 VAL HB . 19053 1 343 . 1 1 85 85 VAL HG11 H 1 0.671 0.020 . 1 . . . A 85 VAL HG11 . 19053 1 344 . 1 1 85 85 VAL HG12 H 1 0.671 0.020 . 1 . . . A 85 VAL HG12 . 19053 1 345 . 1 1 85 85 VAL HG13 H 1 0.671 0.020 . 1 . . . A 85 VAL HG13 . 19053 1 346 . 1 1 85 85 VAL HG21 H 1 0.182 0.020 . 1 . . . A 85 VAL HG21 . 19053 1 347 . 1 1 85 85 VAL HG22 H 1 0.182 0.020 . 1 . . . A 85 VAL HG22 . 19053 1 348 . 1 1 85 85 VAL HG23 H 1 0.182 0.020 . 1 . . . A 85 VAL HG23 . 19053 1 349 . 1 1 86 86 LEU HB2 H 1 1.411 0.020 . 2 . . . A 86 LEU HB2 . 19053 1 350 . 1 1 86 86 LEU HB3 H 1 1.758 0.020 . 2 . . . A 86 LEU HB3 . 19053 1 351 . 1 1 86 86 LEU HG H 1 1.808 0.020 . 1 . . . A 86 LEU HG . 19053 1 352 . 1 1 86 86 LEU HD11 H 1 0.809 0.020 . 1 . . . A 86 LEU HD11 . 19053 1 353 . 1 1 86 86 LEU HD12 H 1 0.809 0.020 . 1 . . . A 86 LEU HD12 . 19053 1 354 . 1 1 86 86 LEU HD13 H 1 0.809 0.020 . 1 . . . A 86 LEU HD13 . 19053 1 355 . 1 1 86 86 LEU HD21 H 1 0.695 0.020 . 1 . . . A 86 LEU HD21 . 19053 1 356 . 1 1 86 86 LEU HD22 H 1 0.695 0.020 . 1 . . . A 86 LEU HD22 . 19053 1 357 . 1 1 86 86 LEU HD23 H 1 0.695 0.020 . 1 . . . A 86 LEU HD23 . 19053 1 358 . 1 1 87 87 ALA HB1 H 1 1.184 0.020 . 1 . . . A 87 ALA HB1 . 19053 1 359 . 1 1 87 87 ALA HB2 H 1 1.184 0.020 . 1 . . . A 87 ALA HB2 . 19053 1 360 . 1 1 87 87 ALA HB3 H 1 1.184 0.020 . 1 . . . A 87 ALA HB3 . 19053 1 361 . 1 1 88 88 LEU HB2 H 1 1.779 0.020 . 1 . . . A 88 LEU HB2 . 19053 1 362 . 1 1 88 88 LEU HB3 H 1 1.779 0.020 . 1 . . . A 88 LEU HB3 . 19053 1 363 . 1 1 88 88 LEU HG H 1 2.108 0.020 . 1 . . . A 88 LEU HG . 19053 1 364 . 1 1 88 88 LEU HD11 H 1 0.626 0.020 . 1 . . . A 88 LEU HD11 . 19053 1 365 . 1 1 88 88 LEU HD12 H 1 0.626 0.020 . 1 . . . A 88 LEU HD12 . 19053 1 366 . 1 1 88 88 LEU HD13 H 1 0.626 0.020 . 1 . . . A 88 LEU HD13 . 19053 1 367 . 1 1 88 88 LEU HD21 H 1 0.909 0.020 . 1 . . . A 88 LEU HD21 . 19053 1 368 . 1 1 88 88 LEU HD22 H 1 0.909 0.020 . 1 . . . A 88 LEU HD22 . 19053 1 369 . 1 1 88 88 LEU HD23 H 1 0.909 0.020 . 1 . . . A 88 LEU HD23 . 19053 1 370 . 1 1 89 89 GLN HB2 H 1 1.876 0.020 . 2 . . . A 89 GLN HB2 . 19053 1 371 . 1 1 89 89 GLN HB3 H 1 2.050 0.020 . 2 . . . A 89 GLN HB3 . 19053 1 372 . 1 1 89 89 GLN HG2 H 1 2.392 0.020 . 1 . . . A 89 GLN HG2 . 19053 1 373 . 1 1 89 89 GLN HG3 H 1 2.392 0.020 . 1 . . . A 89 GLN HG3 . 19053 1 374 . 1 1 89 89 GLN HE21 H 1 6.732 0.020 . 1 . . . A 89 GLN HE21 . 19053 1 375 . 1 1 89 89 GLN HE22 H 1 7.826 0.020 . 1 . . . A 89 GLN HE22 . 19053 1 376 . 1 1 90 90 SER HB2 H 1 3.805 0.020 . 2 . . . A 90 SER HB2 . 19053 1 377 . 1 1 90 90 SER HB3 H 1 3.851 0.020 . 2 . . . A 90 SER HB3 . 19053 1 378 . 1 1 91 91 SER HB2 H 1 3.853 0.020 . 2 . . . A 91 SER HB2 . 19053 1 379 . 1 1 91 91 SER HB3 H 1 3.632 0.020 . 2 . . . A 91 SER HB3 . 19053 1 380 . 1 1 92 92 ALA HB1 H 1 1.349 0.020 . 1 . . . A 92 ALA HB1 . 19053 1 381 . 1 1 92 92 ALA HB2 H 1 1.349 0.020 . 1 . . . A 92 ALA HB2 . 19053 1 382 . 1 1 92 92 ALA HB3 H 1 1.349 0.020 . 1 . . . A 92 ALA HB3 . 19053 1 383 . 1 1 93 93 ALA HB1 H 1 1.306 0.020 . 1 . . . A 93 ALA HB1 . 19053 1 384 . 1 1 93 93 ALA HB2 H 1 1.306 0.020 . 1 . . . A 93 ALA HB2 . 19053 1 385 . 1 1 93 93 ALA HB3 H 1 1.306 0.020 . 1 . . . A 93 ALA HB3 . 19053 1 386 . 1 1 95 95 SER HB2 H 1 3.859 0.020 . 1 . . . A 95 SER HB2 . 19053 1 387 . 1 1 95 95 SER HB3 H 1 3.859 0.020 . 1 . . . A 95 SER HB3 . 19053 1 388 . 1 1 96 96 ALA HB1 H 1 1.002 0.020 . 1 . . . A 96 ALA HB1 . 19053 1 389 . 1 1 96 96 ALA HB2 H 1 1.002 0.020 . 1 . . . A 96 ALA HB2 . 19053 1 390 . 1 1 96 96 ALA HB3 H 1 1.002 0.020 . 1 . . . A 96 ALA HB3 . 19053 1 391 . 1 1 97 97 THR HB H 1 4.050 0.020 . 1 . . . A 97 THR HB . 19053 1 392 . 1 1 97 97 THR HG21 H 1 1.045 0.020 . 1 . . . A 97 THR HG21 . 19053 1 393 . 1 1 97 97 THR HG22 H 1 1.045 0.020 . 1 . . . A 97 THR HG22 . 19053 1 394 . 1 1 97 97 THR HG23 H 1 1.045 0.020 . 1 . . . A 97 THR HG23 . 19053 1 395 . 1 1 98 98 ASN HB2 H 1 2.399 0.020 . 2 . . . A 98 ASN HB2 . 19053 1 396 . 1 1 98 98 ASN HB3 H 1 2.753 0.020 . 2 . . . A 98 ASN HB3 . 19053 1 397 . 1 1 98 98 ASN HD21 H 1 6.970 0.020 . 1 . . . A 98 ASN HD21 . 19053 1 398 . 1 1 98 98 ASN HD22 H 1 6.709 0.020 . 1 . . . A 98 ASN HD22 . 19053 1 399 . 1 1 99 99 VAL HB H 1 1.766 0.020 . 1 . . . A 99 VAL HB . 19053 1 400 . 1 1 99 99 VAL HG11 H 1 0.744 0.020 . 1 . . . A 99 VAL HG11 . 19053 1 401 . 1 1 99 99 VAL HG12 H 1 0.744 0.020 . 1 . . . A 99 VAL HG12 . 19053 1 402 . 1 1 99 99 VAL HG13 H 1 0.744 0.020 . 1 . . . A 99 VAL HG13 . 19053 1 403 . 1 1 99 99 VAL HG21 H 1 0.507 0.020 . 1 . . . A 99 VAL HG21 . 19053 1 404 . 1 1 99 99 VAL HG22 H 1 0.507 0.020 . 1 . . . A 99 VAL HG22 . 19053 1 405 . 1 1 99 99 VAL HG23 H 1 0.507 0.020 . 1 . . . A 99 VAL HG23 . 19053 1 406 . 1 1 101 101 VAL HB H 1 1.570 0.020 . 1 . . . A 101 VAL HB . 19053 1 407 . 1 1 101 101 VAL HG11 H 1 0.528 0.020 . 1 . . . A 101 VAL HG11 . 19053 1 408 . 1 1 101 101 VAL HG12 H 1 0.528 0.020 . 1 . . . A 101 VAL HG12 . 19053 1 409 . 1 1 101 101 VAL HG13 H 1 0.528 0.020 . 1 . . . A 101 VAL HG13 . 19053 1 410 . 1 1 101 101 VAL HG21 H 1 0.608 0.020 . 1 . . . A 101 VAL HG21 . 19053 1 411 . 1 1 101 101 VAL HG22 H 1 0.608 0.020 . 1 . . . A 101 VAL HG22 . 19053 1 412 . 1 1 101 101 VAL HG23 H 1 0.608 0.020 . 1 . . . A 101 VAL HG23 . 19053 1 413 . 1 1 102 102 GLN HB2 H 1 1.659 0.020 . 2 . . . A 102 GLN HB2 . 19053 1 414 . 1 1 102 102 GLN HB3 H 1 1.772 0.020 . 2 . . . A 102 GLN HB3 . 19053 1 415 . 1 1 102 102 GLN HG2 H 1 2.097 0.020 . 2 . . . A 102 GLN HG2 . 19053 1 416 . 1 1 102 102 GLN HG3 H 1 2.369 0.020 . 2 . . . A 102 GLN HG3 . 19053 1 417 . 1 1 102 102 GLN HE21 H 1 5.452 0.020 . 1 . . . A 102 GLN HE21 . 19053 1 418 . 1 1 102 102 GLN HE22 H 1 6.781 0.020 . 1 . . . A 102 GLN HE22 . 19053 1 419 . 1 1 103 103 ILE HB H 1 1.235 0.020 . 1 . . . A 103 ILE HB . 19053 1 420 . 1 1 103 103 ILE HG12 H 1 0.744 0.020 . 2 . . . A 103 ILE HG12 . 19053 1 421 . 1 1 103 103 ILE HG13 H 1 1.106 0.020 . 2 . . . A 103 ILE HG13 . 19053 1 422 . 1 1 103 103 ILE HG21 H 1 0.021 0.020 . 1 . . . A 103 ILE HG21 . 19053 1 423 . 1 1 103 103 ILE HG22 H 1 0.021 0.020 . 1 . . . A 103 ILE HG22 . 19053 1 424 . 1 1 103 103 ILE HG23 H 1 0.021 0.020 . 1 . . . A 103 ILE HG23 . 19053 1 425 . 1 1 103 103 ILE HD11 H 1 0.389 0.020 . 1 . . . A 103 ILE HD11 . 19053 1 426 . 1 1 103 103 ILE HD12 H 1 0.389 0.020 . 1 . . . A 103 ILE HD12 . 19053 1 427 . 1 1 103 103 ILE HD13 H 1 0.389 0.020 . 1 . . . A 103 ILE HD13 . 19053 1 428 . 1 1 104 104 LEU HB2 H 1 1.207 0.020 . 2 . . . A 104 LEU HB2 . 19053 1 429 . 1 1 104 104 LEU HB3 H 1 1.378 0.020 . 2 . . . A 104 LEU HB3 . 19053 1 430 . 1 1 104 104 LEU HG H 1 1.240 0.020 . 1 . . . A 104 LEU HG . 19053 1 431 . 1 1 104 104 LEU HD11 H 1 0.579 0.020 . 1 . . . A 104 LEU HD11 . 19053 1 432 . 1 1 104 104 LEU HD12 H 1 0.579 0.020 . 1 . . . A 104 LEU HD12 . 19053 1 433 . 1 1 104 104 LEU HD13 H 1 0.579 0.020 . 1 . . . A 104 LEU HD13 . 19053 1 434 . 1 1 104 104 LEU HD21 H 1 0.498 0.020 . 1 . . . A 104 LEU HD21 . 19053 1 435 . 1 1 104 104 LEU HD22 H 1 0.498 0.020 . 1 . . . A 104 LEU HD22 . 19053 1 436 . 1 1 104 104 LEU HD23 H 1 0.498 0.020 . 1 . . . A 104 LEU HD23 . 19053 1 437 . 1 1 105 105 ASP HB2 H 1 2.785 0.020 . 2 . . . A 105 ASP HB2 . 19053 1 438 . 1 1 105 105 ASP HB3 H 1 3.415 0.020 . 2 . . . A 105 ASP HB3 . 19053 1 439 . 1 1 106 106 ARG HB2 H 1 1.561 0.020 . 2 . . . A 106 ARG HB2 . 19053 1 440 . 1 1 106 106 ARG HB3 H 1 1.785 0.020 . 2 . . . A 106 ARG HB3 . 19053 1 441 . 1 1 106 106 ARG HG2 H 1 1.294 0.020 . 2 . . . A 106 ARG HG2 . 19053 1 442 . 1 1 106 106 ARG HG3 H 1 1.475 0.020 . 2 . . . A 106 ARG HG3 . 19053 1 443 . 1 1 106 106 ARG HD2 H 1 2.972 0.020 . 1 . . . A 106 ARG HD2 . 19053 1 444 . 1 1 106 106 ARG HD3 H 1 2.972 0.020 . 1 . . . A 106 ARG HD3 . 19053 1 445 . 1 1 106 106 ARG HE H 1 6.940 0.020 . 1 . . . A 106 ARG HE . 19053 1 446 . 1 1 107 107 THR HB H 1 4.356 0.020 . 1 . . . A 107 THR HB . 19053 1 447 . 1 1 107 107 THR HG21 H 1 1.176 0.020 . 1 . . . A 107 THR HG21 . 19053 1 448 . 1 1 107 107 THR HG22 H 1 1.176 0.020 . 1 . . . A 107 THR HG22 . 19053 1 449 . 1 1 107 107 THR HG23 H 1 1.176 0.020 . 1 . . . A 107 THR HG23 . 19053 1 450 . 1 1 109 109 ALA HB1 H 1 1.192 0.020 . 1 . . . A 109 ALA HB1 . 19053 1 451 . 1 1 109 109 ALA HB2 H 1 1.192 0.020 . 1 . . . A 109 ALA HB2 . 19053 1 452 . 1 1 109 109 ALA HB3 H 1 1.192 0.020 . 1 . . . A 109 ALA HB3 . 19053 1 453 . 1 1 110 110 ALA HB1 H 1 1.088 0.020 . 1 . . . A 110 ALA HB1 . 19053 1 454 . 1 1 110 110 ALA HB2 H 1 1.088 0.020 . 1 . . . A 110 ALA HB2 . 19053 1 455 . 1 1 110 110 ALA HB3 H 1 1.088 0.020 . 1 . . . A 110 ALA HB3 . 19053 1 456 . 1 1 111 111 LEU HB2 H 1 1.481 0.020 . 2 . . . A 111 LEU HB2 . 19053 1 457 . 1 1 111 111 LEU HB3 H 1 1.703 0.020 . 2 . . . A 111 LEU HB3 . 19053 1 458 . 1 1 111 111 LEU HG H 1 1.835 0.020 . 1 . . . A 111 LEU HG . 19053 1 459 . 1 1 111 111 LEU HD11 H 1 1.029 0.020 . 1 . . . A 111 LEU HD11 . 19053 1 460 . 1 1 111 111 LEU HD12 H 1 1.029 0.020 . 1 . . . A 111 LEU HD12 . 19053 1 461 . 1 1 111 111 LEU HD13 H 1 1.029 0.020 . 1 . . . A 111 LEU HD13 . 19053 1 462 . 1 1 111 111 LEU HD21 H 1 0.832 0.020 . 1 . . . A 111 LEU HD21 . 19053 1 463 . 1 1 111 111 LEU HD22 H 1 0.832 0.020 . 1 . . . A 111 LEU HD22 . 19053 1 464 . 1 1 111 111 LEU HD23 H 1 0.832 0.020 . 1 . . . A 111 LEU HD23 . 19053 1 465 . 1 1 112 112 THR HB H 1 4.099 0.020 . 1 . . . A 112 THR HB . 19053 1 466 . 1 1 112 112 THR HG21 H 1 1.179 0.020 . 1 . . . A 112 THR HG21 . 19053 1 467 . 1 1 112 112 THR HG22 H 1 1.179 0.020 . 1 . . . A 112 THR HG22 . 19053 1 468 . 1 1 112 112 THR HG23 H 1 1.179 0.020 . 1 . . . A 112 THR HG23 . 19053 1 469 . 1 1 113 113 LEU HB2 H 1 1.447 0.020 . 2 . . . A 113 LEU HB2 . 19053 1 470 . 1 1 113 113 LEU HB3 H 1 1.679 0.020 . 2 . . . A 113 LEU HB3 . 19053 1 471 . 1 1 113 113 LEU HG H 1 1.715 0.020 . 1 . . . A 113 LEU HG . 19053 1 472 . 1 1 113 113 LEU HD11 H 1 0.638 0.020 . 1 . . . A 113 LEU HD11 . 19053 1 473 . 1 1 113 113 LEU HD12 H 1 0.638 0.020 . 1 . . . A 113 LEU HD12 . 19053 1 474 . 1 1 113 113 LEU HD13 H 1 0.638 0.020 . 1 . . . A 113 LEU HD13 . 19053 1 475 . 1 1 113 113 LEU HD21 H 1 0.638 0.020 . 1 . . . A 113 LEU HD21 . 19053 1 476 . 1 1 113 113 LEU HD22 H 1 0.638 0.020 . 1 . . . A 113 LEU HD22 . 19053 1 477 . 1 1 113 113 LEU HD23 H 1 0.638 0.020 . 1 . . . A 113 LEU HD23 . 19053 1 478 . 1 1 114 114 ASP HB2 H 1 2.566 0.020 . 2 . . . A 114 ASP HB2 . 19053 1 479 . 1 1 114 114 ASP HB3 H 1 3.005 0.020 . 2 . . . A 114 ASP HB3 . 19053 1 480 . 1 1 116 116 ALA HB1 H 1 1.204 0.020 . 1 . . . A 116 ALA HB1 . 19053 1 481 . 1 1 116 116 ALA HB2 H 1 1.204 0.020 . 1 . . . A 116 ALA HB2 . 19053 1 482 . 1 1 116 116 ALA HB3 H 1 1.204 0.020 . 1 . . . A 116 ALA HB3 . 19053 1 483 . 1 1 117 117 THR HB H 1 4.119 0.020 . 1 . . . A 117 THR HB . 19053 1 484 . 1 1 117 117 THR HG21 H 1 1.222 0.020 . 1 . . . A 117 THR HG21 . 19053 1 485 . 1 1 117 117 THR HG22 H 1 1.222 0.020 . 1 . . . A 117 THR HG22 . 19053 1 486 . 1 1 117 117 THR HG23 H 1 1.222 0.020 . 1 . . . A 117 THR HG23 . 19053 1 487 . 1 1 118 118 PHE HB2 H 1 2.881 0.020 . 2 . . . A 118 PHE HB2 . 19053 1 488 . 1 1 118 118 PHE HB3 H 1 2.786 0.020 . 2 . . . A 118 PHE HB3 . 19053 1 489 . 1 1 118 118 PHE HD1 H 1 6.958 0.020 . 1 . . . A 118 PHE HD1 . 19053 1 490 . 1 1 118 118 PHE HD2 H 1 6.958 0.020 . 1 . . . A 118 PHE HD2 . 19053 1 491 . 1 1 119 119 SER HB2 H 1 4.700 0.020 . 2 . . . A 119 SER HB2 . 19053 1 492 . 1 1 119 119 SER HB3 H 1 4.408 0.020 . 2 . . . A 119 SER HB3 . 19053 1 493 . 1 1 120 120 SER HB2 H 1 3.783 0.020 . 2 . . . A 120 SER HB2 . 19053 1 494 . 1 1 120 120 SER HB3 H 1 3.836 0.020 . 2 . . . A 120 SER HB3 . 19053 1 495 . 1 1 121 121 GLU HB2 H 1 1.776 0.020 . 2 . . . A 121 GLU HB2 . 19053 1 496 . 1 1 121 121 GLU HB3 H 1 1.884 0.020 . 2 . . . A 121 GLU HB3 . 19053 1 497 . 1 1 121 121 GLU HG2 H 1 2.193 0.020 . 2 . . . A 121 GLU HG2 . 19053 1 498 . 1 1 121 121 GLU HG3 H 1 2.281 0.020 . 2 . . . A 121 GLU HG3 . 19053 1 499 . 1 1 122 122 THR HB H 1 3.717 0.020 . 1 . . . A 122 THR HB . 19053 1 500 . 1 1 122 122 THR HG21 H 1 1.064 0.020 . 1 . . . A 122 THR HG21 . 19053 1 501 . 1 1 122 122 THR HG22 H 1 1.064 0.020 . 1 . . . A 122 THR HG22 . 19053 1 502 . 1 1 122 122 THR HG23 H 1 1.064 0.020 . 1 . . . A 122 THR HG23 . 19053 1 503 . 1 1 123 123 THR HB H 1 4.018 0.020 . 1 . . . A 123 THR HB . 19053 1 504 . 1 1 123 123 THR HG21 H 1 1.190 0.020 . 1 . . . A 123 THR HG21 . 19053 1 505 . 1 1 123 123 THR HG22 H 1 1.190 0.020 . 1 . . . A 123 THR HG22 . 19053 1 506 . 1 1 123 123 THR HG23 H 1 1.190 0.020 . 1 . . . A 123 THR HG23 . 19053 1 507 . 1 1 124 124 LEU HB2 H 1 1.317 0.020 . 2 . . . A 124 LEU HB2 . 19053 1 508 . 1 1 124 124 LEU HB3 H 1 1.006 0.020 . 2 . . . A 124 LEU HB3 . 19053 1 509 . 1 1 124 124 LEU HG H 1 1.402 0.020 . 1 . . . A 124 LEU HG . 19053 1 510 . 1 1 124 124 LEU HD11 H 1 0.592 0.020 . 1 . . . A 124 LEU HD11 . 19053 1 511 . 1 1 124 124 LEU HD12 H 1 0.592 0.020 . 1 . . . A 124 LEU HD12 . 19053 1 512 . 1 1 124 124 LEU HD13 H 1 0.592 0.020 . 1 . . . A 124 LEU HD13 . 19053 1 513 . 1 1 124 124 LEU HD21 H 1 0.592 0.020 . 1 . . . A 124 LEU HD21 . 19053 1 514 . 1 1 124 124 LEU HD22 H 1 0.592 0.020 . 1 . . . A 124 LEU HD22 . 19053 1 515 . 1 1 124 124 LEU HD23 H 1 0.592 0.020 . 1 . . . A 124 LEU HD23 . 19053 1 516 . 1 1 125 125 ASN HB2 H 1 2.679 0.020 . 2 . . . A 125 ASN HB2 . 19053 1 517 . 1 1 125 125 ASN HB3 H 1 2.581 0.020 . 2 . . . A 125 ASN HB3 . 19053 1 518 . 1 1 125 125 ASN HD21 H 1 7.426 0.020 . 1 . . . A 125 ASN HD21 . 19053 1 519 . 1 1 125 125 ASN HD22 H 1 6.770 0.020 . 1 . . . A 125 ASN HD22 . 19053 1 520 . 1 1 126 126 ASN HB2 H 1 2.719 0.020 . 2 . . . A 126 ASN HB2 . 19053 1 521 . 1 1 126 126 ASN HB3 H 1 2.630 0.020 . 2 . . . A 126 ASN HB3 . 19053 1 522 . 1 1 126 126 ASN HD21 H 1 7.045 0.020 . 1 . . . A 126 ASN HD21 . 19053 1 523 . 1 1 126 126 ASN HD22 H 1 7.570 0.020 . 1 . . . A 126 ASN HD22 . 19053 1 524 . 1 1 128 128 THR HB H 1 3.970 0.020 . 1 . . . A 128 THR HB . 19053 1 525 . 1 1 128 128 THR HG21 H 1 1.205 0.020 . 1 . . . A 128 THR HG21 . 19053 1 526 . 1 1 128 128 THR HG22 H 1 1.205 0.020 . 1 . . . A 128 THR HG22 . 19053 1 527 . 1 1 128 128 THR HG23 H 1 1.205 0.020 . 1 . . . A 128 THR HG23 . 19053 1 528 . 1 1 129 129 ASN HB2 H 1 2.353 0.020 . 2 . . . A 129 ASN HB2 . 19053 1 529 . 1 1 129 129 ASN HB3 H 1 2.194 0.020 . 2 . . . A 129 ASN HB3 . 19053 1 530 . 1 1 129 129 ASN HD21 H 1 6.224 0.020 . 1 . . . A 129 ASN HD21 . 19053 1 531 . 1 1 129 129 ASN HD22 H 1 8.232 0.020 . 1 . . . A 129 ASN HD22 . 19053 1 532 . 1 1 130 130 THR HB H 1 3.714 0.020 . 1 . . . A 130 THR HB . 19053 1 533 . 1 1 130 130 THR HG21 H 1 0.871 0.020 . 1 . . . A 130 THR HG21 . 19053 1 534 . 1 1 130 130 THR HG22 H 1 0.871 0.020 . 1 . . . A 130 THR HG22 . 19053 1 535 . 1 1 130 130 THR HG23 H 1 0.871 0.020 . 1 . . . A 130 THR HG23 . 19053 1 536 . 1 1 131 131 ILE HB H 1 1.841 0.020 . 1 . . . A 131 ILE HB . 19053 1 537 . 1 1 131 131 ILE HG12 H 1 0.903 0.020 . 2 . . . A 131 ILE HG12 . 19053 1 538 . 1 1 131 131 ILE HG13 H 1 1.401 0.020 . 2 . . . A 131 ILE HG13 . 19053 1 539 . 1 1 131 131 ILE HG21 H 1 0.592 0.020 . 1 . . . A 131 ILE HG21 . 19053 1 540 . 1 1 131 131 ILE HG22 H 1 0.592 0.020 . 1 . . . A 131 ILE HG22 . 19053 1 541 . 1 1 131 131 ILE HG23 H 1 0.592 0.020 . 1 . . . A 131 ILE HG23 . 19053 1 542 . 1 1 131 131 ILE HD11 H 1 0.597 0.020 . 1 . . . A 131 ILE HD11 . 19053 1 543 . 1 1 131 131 ILE HD12 H 1 0.597 0.020 . 1 . . . A 131 ILE HD12 . 19053 1 544 . 1 1 131 131 ILE HD13 H 1 0.597 0.020 . 1 . . . A 131 ILE HD13 . 19053 1 545 . 1 1 132 132 PRO HB2 H 1 1.888 0.020 . 2 . . . A 132 PRO HB2 . 19053 1 546 . 1 1 132 132 PRO HB3 H 1 1.702 0.020 . 2 . . . A 132 PRO HB3 . 19053 1 547 . 1 1 132 132 PRO HG2 H 1 1.828 0.020 . 1 . . . A 132 PRO HG2 . 19053 1 548 . 1 1 132 132 PRO HG3 H 1 1.828 0.020 . 1 . . . A 132 PRO HG3 . 19053 1 549 . 1 1 132 132 PRO HD2 H 1 3.397 0.020 . 2 . . . A 132 PRO HD2 . 19053 1 550 . 1 1 132 132 PRO HD3 H 1 3.686 0.020 . 2 . . . A 132 PRO HD3 . 19053 1 551 . 1 1 133 133 PHE HB2 H 1 0.402 0.020 . 2 . . . A 133 PHE HB2 . 19053 1 552 . 1 1 133 133 PHE HB3 H 1 2.333 0.020 . 2 . . . A 133 PHE HB3 . 19053 1 553 . 1 1 133 133 PHE HD1 H 1 6.723 0.020 . 1 . . . A 133 PHE HD1 . 19053 1 554 . 1 1 133 133 PHE HD2 H 1 6.723 0.020 . 1 . . . A 133 PHE HD2 . 19053 1 555 . 1 1 133 133 PHE HE1 H 1 6.910 0.020 . 1 . . . A 133 PHE HE1 . 19053 1 556 . 1 1 133 133 PHE HE2 H 1 6.910 0.020 . 1 . . . A 133 PHE HE2 . 19053 1 557 . 1 1 134 134 GLN HB2 H 1 1.640 0.020 . 2 . . . A 134 GLN HB2 . 19053 1 558 . 1 1 134 134 GLN HB3 H 1 1.816 0.020 . 2 . . . A 134 GLN HB3 . 19053 1 559 . 1 1 134 134 GLN HG2 H 1 2.019 0.020 . 2 . . . A 134 GLN HG2 . 19053 1 560 . 1 1 134 134 GLN HG3 H 1 1.965 0.020 . 2 . . . A 134 GLN HG3 . 19053 1 561 . 1 1 134 134 GLN HE21 H 1 7.161 0.020 . 1 . . . A 134 GLN HE21 . 19053 1 562 . 1 1 134 134 GLN HE22 H 1 6.562 0.020 . 1 . . . A 134 GLN HE22 . 19053 1 563 . 1 1 135 135 ALA HB1 H 1 1.127 0.020 . 1 . . . A 135 ALA HB1 . 19053 1 564 . 1 1 135 135 ALA HB2 H 1 1.127 0.020 . 1 . . . A 135 ALA HB2 . 19053 1 565 . 1 1 135 135 ALA HB3 H 1 1.127 0.020 . 1 . . . A 135 ALA HB3 . 19053 1 566 . 1 1 136 136 ARG HB2 H 1 1.543 0.020 . 2 . . . A 136 ARG HB2 . 19053 1 567 . 1 1 136 136 ARG HB3 H 1 2.024 0.020 . 2 . . . A 136 ARG HB3 . 19053 1 568 . 1 1 136 136 ARG HG2 H 1 1.412 0.020 . 1 . . . A 136 ARG HG2 . 19053 1 569 . 1 1 136 136 ARG HG3 H 1 1.412 0.020 . 1 . . . A 136 ARG HG3 . 19053 1 570 . 1 1 136 136 ARG HD2 H 1 3.260 0.020 . 2 . . . A 136 ARG HD2 . 19053 1 571 . 1 1 136 136 ARG HD3 H 1 2.909 0.020 . 2 . . . A 136 ARG HD3 . 19053 1 572 . 1 1 136 136 ARG HE H 1 7.191 0.020 . 1 . . . A 136 ARG HE . 19053 1 573 . 1 1 137 137 TYR HB2 H 1 2.550 0.020 . 2 . . . A 137 TYR HB2 . 19053 1 574 . 1 1 137 137 TYR HB3 H 1 2.794 0.020 . 2 . . . A 137 TYR HB3 . 19053 1 575 . 1 1 137 137 TYR HD1 H 1 6.857 0.020 . 1 . . . A 137 TYR HD1 . 19053 1 576 . 1 1 137 137 TYR HD2 H 1 6.857 0.020 . 1 . . . A 137 TYR HD2 . 19053 1 577 . 1 1 137 137 TYR HE1 H 1 6.156 0.020 . 1 . . . A 137 TYR HE1 . 19053 1 578 . 1 1 137 137 TYR HE2 H 1 6.156 0.020 . 1 . . . A 137 TYR HE2 . 19053 1 579 . 1 1 138 138 PHE HB2 H 1 2.660 0.020 . 2 . . . A 138 PHE HB2 . 19053 1 580 . 1 1 138 138 PHE HB3 H 1 2.455 0.020 . 2 . . . A 138 PHE HB3 . 19053 1 581 . 1 1 138 138 PHE HD1 H 1 6.713 0.020 . 1 . . . A 138 PHE HD1 . 19053 1 582 . 1 1 138 138 PHE HD2 H 1 6.713 0.020 . 1 . . . A 138 PHE HD2 . 19053 1 583 . 1 1 138 138 PHE HE1 H 1 7.003 0.020 . 1 . . . A 138 PHE HE1 . 19053 1 584 . 1 1 138 138 PHE HE2 H 1 7.003 0.020 . 1 . . . A 138 PHE HE2 . 19053 1 585 . 1 1 139 139 ALA HB1 H 1 1.435 0.020 . 1 . . . A 139 ALA HB1 . 19053 1 586 . 1 1 139 139 ALA HB2 H 1 1.435 0.020 . 1 . . . A 139 ALA HB2 . 19053 1 587 . 1 1 139 139 ALA HB3 H 1 1.435 0.020 . 1 . . . A 139 ALA HB3 . 19053 1 588 . 1 1 140 140 THR HB H 1 4.155 0.020 . 1 . . . A 140 THR HB . 19053 1 589 . 1 1 140 140 THR HG21 H 1 0.472 0.020 . 1 . . . A 140 THR HG21 . 19053 1 590 . 1 1 140 140 THR HG22 H 1 0.472 0.020 . 1 . . . A 140 THR HG22 . 19053 1 591 . 1 1 140 140 THR HG23 H 1 0.472 0.020 . 1 . . . A 140 THR HG23 . 19053 1 592 . 1 1 142 142 ALA HB1 H 1 1.146 0.020 . 1 . . . A 142 ALA HB1 . 19053 1 593 . 1 1 142 142 ALA HB2 H 1 1.146 0.020 . 1 . . . A 142 ALA HB2 . 19053 1 594 . 1 1 142 142 ALA HB3 H 1 1.146 0.020 . 1 . . . A 142 ALA HB3 . 19053 1 595 . 1 1 143 143 ALA HB1 H 1 1.103 0.020 . 1 . . . A 143 ALA HB1 . 19053 1 596 . 1 1 143 143 ALA HB2 H 1 1.103 0.020 . 1 . . . A 143 ALA HB2 . 19053 1 597 . 1 1 143 143 ALA HB3 H 1 1.103 0.020 . 1 . . . A 143 ALA HB3 . 19053 1 598 . 1 1 144 144 THR HB H 1 4.352 0.020 . 1 . . . A 144 THR HB . 19053 1 599 . 1 1 144 144 THR HG21 H 1 1.070 0.020 . 1 . . . A 144 THR HG21 . 19053 1 600 . 1 1 144 144 THR HG22 H 1 1.070 0.020 . 1 . . . A 144 THR HG22 . 19053 1 601 . 1 1 144 144 THR HG23 H 1 1.070 0.020 . 1 . . . A 144 THR HG23 . 19053 1 602 . 1 1 145 145 PRO HB2 H 1 2.109 0.020 . 2 . . . A 145 PRO HB2 . 19053 1 603 . 1 1 145 145 PRO HB3 H 1 1.856 0.020 . 2 . . . A 145 PRO HB3 . 19053 1 604 . 1 1 145 145 PRO HG2 H 1 1.888 0.020 . 2 . . . A 145 PRO HG2 . 19053 1 605 . 1 1 145 145 PRO HG3 H 1 1.951 0.020 . 2 . . . A 145 PRO HG3 . 19053 1 606 . 1 1 145 145 PRO HD2 H 1 3.578 0.020 . 2 . . . A 145 PRO HD2 . 19053 1 607 . 1 1 145 145 PRO HD3 H 1 3.623 0.020 . 2 . . . A 145 PRO HD3 . 19053 1 608 . 1 1 147 147 ALA HB1 H 1 1.297 0.020 . 1 . . . A 147 ALA HB1 . 19053 1 609 . 1 1 147 147 ALA HB2 H 1 1.297 0.020 . 1 . . . A 147 ALA HB2 . 19053 1 610 . 1 1 147 147 ALA HB3 H 1 1.297 0.020 . 1 . . . A 147 ALA HB3 . 19053 1 611 . 1 1 148 148 ALA HB1 H 1 1.102 0.020 . 1 . . . A 148 ALA HB1 . 19053 1 612 . 1 1 148 148 ALA HB2 H 1 1.102 0.020 . 1 . . . A 148 ALA HB2 . 19053 1 613 . 1 1 148 148 ALA HB3 H 1 1.102 0.020 . 1 . . . A 148 ALA HB3 . 19053 1 614 . 1 1 149 149 ASN HB2 H 1 2.463 0.020 . 2 . . . A 149 ASN HB2 . 19053 1 615 . 1 1 149 149 ASN HB3 H 1 2.630 0.020 . 2 . . . A 149 ASN HB3 . 19053 1 616 . 1 1 149 149 ASN HD21 H 1 7.725 0.020 . 1 . . . A 149 ASN HD21 . 19053 1 617 . 1 1 149 149 ASN HD22 H 1 6.914 0.020 . 1 . . . A 149 ASN HD22 . 19053 1 618 . 1 1 150 150 ALA HB1 H 1 1.243 0.020 . 1 . . . A 150 ALA HB1 . 19053 1 619 . 1 1 150 150 ALA HB2 H 1 1.243 0.020 . 1 . . . A 150 ALA HB2 . 19053 1 620 . 1 1 150 150 ALA HB3 H 1 1.243 0.020 . 1 . . . A 150 ALA HB3 . 19053 1 621 . 1 1 151 151 ASP HB2 H 1 2.356 0.020 . 2 . . . A 151 ASP HB2 . 19053 1 622 . 1 1 151 151 ASP HB3 H 1 2.580 0.020 . 2 . . . A 151 ASP HB3 . 19053 1 623 . 1 1 152 152 ALA HB1 H 1 1.363 0.020 . 1 . . . A 152 ALA HB1 . 19053 1 624 . 1 1 152 152 ALA HB2 H 1 1.363 0.020 . 1 . . . A 152 ALA HB2 . 19053 1 625 . 1 1 152 152 ALA HB3 H 1 1.363 0.020 . 1 . . . A 152 ALA HB3 . 19053 1 626 . 1 1 153 153 THR HB H 1 4.166 0.020 . 1 . . . A 153 THR HB . 19053 1 627 . 1 1 153 153 THR HG21 H 1 1.145 0.020 . 1 . . . A 153 THR HG21 . 19053 1 628 . 1 1 153 153 THR HG22 H 1 1.145 0.020 . 1 . . . A 153 THR HG22 . 19053 1 629 . 1 1 153 153 THR HG23 H 1 1.145 0.020 . 1 . . . A 153 THR HG23 . 19053 1 630 . 1 1 154 154 PHE HB2 H 1 2.111 0.020 . 2 . . . A 154 PHE HB2 . 19053 1 631 . 1 1 154 154 PHE HB3 H 1 2.066 0.020 . 2 . . . A 154 PHE HB3 . 19053 1 632 . 1 1 154 154 PHE HD1 H 1 6.553 0.020 . 1 . . . A 154 PHE HD1 . 19053 1 633 . 1 1 154 154 PHE HD2 H 1 6.553 0.020 . 1 . . . A 154 PHE HD2 . 19053 1 634 . 1 1 154 154 PHE HE1 H 1 6.985 0.020 . 1 . . . A 154 PHE HE1 . 19053 1 635 . 1 1 154 154 PHE HE2 H 1 6.985 0.020 . 1 . . . A 154 PHE HE2 . 19053 1 636 . 1 1 155 155 LYS HB2 H 1 1.556 0.020 . 2 . . . A 155 LYS HB2 . 19053 1 637 . 1 1 155 155 LYS HB3 H 1 1.755 0.020 . 2 . . . A 155 LYS HB3 . 19053 1 638 . 1 1 155 155 LYS HG2 H 1 1.343 0.020 . 2 . . . A 155 LYS HG2 . 19053 1 639 . 1 1 155 155 LYS HG3 H 1 1.247 0.020 . 2 . . . A 155 LYS HG3 . 19053 1 640 . 1 1 155 155 LYS HD2 H 1 1.631 0.020 . 1 . . . A 155 LYS HD2 . 19053 1 641 . 1 1 155 155 LYS HD3 H 1 1.631 0.020 . 1 . . . A 155 LYS HD3 . 19053 1 642 . 1 1 155 155 LYS HE2 H 1 2.864 0.020 . 1 . . . A 155 LYS HE2 . 19053 1 643 . 1 1 155 155 LYS HE3 H 1 2.864 0.020 . 1 . . . A 155 LYS HE3 . 19053 1 644 . 1 1 156 156 VAL HB H 1 1.727 0.020 . 1 . . . A 156 VAL HB . 19053 1 645 . 1 1 156 156 VAL HG11 H 1 0.846 0.020 . 1 . . . A 156 VAL HG11 . 19053 1 646 . 1 1 156 156 VAL HG12 H 1 0.846 0.020 . 1 . . . A 156 VAL HG12 . 19053 1 647 . 1 1 156 156 VAL HG13 H 1 0.846 0.020 . 1 . . . A 156 VAL HG13 . 19053 1 648 . 1 1 156 156 VAL HG21 H 1 0.331 0.020 . 1 . . . A 156 VAL HG21 . 19053 1 649 . 1 1 156 156 VAL HG22 H 1 0.331 0.020 . 1 . . . A 156 VAL HG22 . 19053 1 650 . 1 1 156 156 VAL HG23 H 1 0.331 0.020 . 1 . . . A 156 VAL HG23 . 19053 1 651 . 1 1 157 157 GLN HB2 H 1 1.315 0.020 . 2 . . . A 157 GLN HB2 . 19053 1 652 . 1 1 157 157 GLN HB3 H 1 1.160 0.020 . 2 . . . A 157 GLN HB3 . 19053 1 653 . 1 1 157 157 GLN HG2 H 1 1.840 0.020 . 2 . . . A 157 GLN HG2 . 19053 1 654 . 1 1 157 157 GLN HG3 H 1 1.657 0.020 . 2 . . . A 157 GLN HG3 . 19053 1 655 . 1 1 157 157 GLN HE21 H 1 6.824 0.020 . 1 . . . A 157 GLN HE21 . 19053 1 656 . 1 1 157 157 GLN HE22 H 1 6.248 0.020 . 1 . . . A 157 GLN HE22 . 19053 1 657 . 1 1 158 158 TYR HB2 H 1 2.583 0.020 . 2 . . . A 158 TYR HB2 . 19053 1 658 . 1 1 158 158 TYR HB3 H 1 2.804 0.020 . 2 . . . A 158 TYR HB3 . 19053 1 659 . 1 1 158 158 TYR HD1 H 1 6.936 0.020 . 1 . . . A 158 TYR HD1 . 19053 1 660 . 1 1 158 158 TYR HD2 H 1 6.936 0.020 . 1 . . . A 158 TYR HD2 . 19053 1 661 . 1 1 158 158 TYR HE1 H 1 6.666 0.020 . 1 . . . A 158 TYR HE1 . 19053 1 662 . 1 1 158 158 TYR HE2 H 1 6.666 0.020 . 1 . . . A 158 TYR HE2 . 19053 1 663 . 1 1 159 159 GLN HB2 H 1 1.978 0.020 . 2 . . . A 159 GLN HB2 . 19053 1 664 . 1 1 159 159 GLN HB3 H 1 1.690 0.020 . 2 . . . A 159 GLN HB3 . 19053 1 665 . 1 1 159 159 GLN HG2 H 1 2.136 0.020 . 2 . . . A 159 GLN HG2 . 19053 1 666 . 1 1 159 159 GLN HG3 H 1 2.079 0.020 . 2 . . . A 159 GLN HG3 . 19053 1 667 . 1 1 159 159 GLN HE21 H 1 6.578 0.020 . 1 . . . A 159 GLN HE21 . 19053 1 668 . 1 1 159 159 GLN HE22 H 1 7.272 0.020 . 1 . . . A 159 GLN HE22 . 19053 1 stop_ save_