data_18379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18379 _Entry.Title ; Solution Structures of the IIA(Chitobiose)-HPr complex of the N,N'-Diacetylchitobiose Branch of the Escherichia coli Phosphotransferase System ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-06 _Entry.Accession_date 2012-04-06 _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 ; SegID A,B,C is IIAChb and D is HPR. IIAChb in the coordinate and chemical shift table files are from mutant delta13/D92L. The 1st residue in the shift table and coordinates is residue 14 on the basis of wt IIA. ; _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 Young-Sang Jung . . . 18379 2 Mengli Cai . . . 18379 3 Marius Clore . . . 18379 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' . 18379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Chitobiose . 18379 'IIA, HPR' . 18379 NMR . 18379 PTS . 18379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 689 18379 '15N chemical shifts' 181 18379 '1H chemical shifts' 998 18379 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 . . 2013-02-11 2012-04-06 update BMRB 'update entry citation' 18379 1 . . 2012-06-14 2012-04-06 original author 'original release' 18379 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRK 'BMRB Entry Tracking System' 18379 PDB 2LRL 'BMRB Entry Tracking System' 18379 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18379 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22593574 _Citation.Full_citation . _Citation.Title 'Solution structure of the IIAChitobiose-HPr complex of the N,N'-diacetylchitobiose branch of the Escherichia coli phosphotransferase system.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 28 _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 23819 _Citation.Page_last 23829 _Citation.Year 2012 _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 Young-Sang Jung . . . 18379 1 2 Mengli Cai . . . 18379 1 3 'G. Marius' Clore . . . 18379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18379 _Assembly.ID 1 _Assembly.Name 'IIA(chb)-HPr complex' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _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 'IIAChb, 1' 1 $entity_1 A . yes native no no . . . 18379 1 2 'IIAChb, 2' 1 $entity_1 B . yes native no no . . . 18379 1 3 'IIAChb, 3' 1 $entity_1 C . yes native no no . . . 18379 1 4 HPR 2 $entity_2 D . yes native no no . . . 18379 1 5 'PHEOPHYTIN A' 3 $entity_PHO E . no native no no . . . 18379 1 6 4-TRIFLUOROMETHYLANILINE 4 $entity_ANI F . no native no no . . . 18379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18379 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEELEEVVMGLIINSGQARS LAYAALKQAKQGDFAAAKAM MDQSRMALNEAHLVQTKLIE GDAGEGKMKVSLVLVHAQLH LMTSMLARELITELIELHEK LKA ; _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 103 _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 11256.266 _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 17274 . EII-A(CHITOBIOSE) . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 18379 1 2 no PDB 1WCR . "Trimeric Structure Of The Enzyme Iia From Escherichia Coli Phosphotransferase System Specific For N,N'- Diacetylchitobiose" . . . . . 100.00 103 100.00 100.00 2.36e-63 . . . . 18379 1 3 no PDB 2LRK . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 18379 1 4 no PDB 2LRL . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" . . . . . 100.00 103 100.00 100.00 2.36e-63 . . . . 18379 1 5 no PDB 2WWV . "Nmr Structure Of The Iiachitobiose-Iibchitobiose Complex Of The N,N'-Diacetylchitoboise Brance Of The E. Coli Phosphotransferas" . . . . . 100.00 103 99.03 99.03 3.37e-62 . . . . 18379 1 6 no PDB 2WY2 . "Nmr Structure Of The Iiachitobiose-Iibchitobiose Phosphoryl Transition State Complex Of The N,N'-Diacetylchitoboise Brance Of T" . . . . . 100.00 103 100.00 100.00 2.36e-63 . . . . 18379 1 7 no DBJ BAA15517 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 8 no DBJ BAB35865 . "PEP-dependent phosphotransferase enzyme III for cellobiose [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 9 no DBJ BAG77430 . "PTS system cellobiose-specific IIA component [Escherichia coli SE11]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 10 no DBJ BAI25752 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 116 98.06 98.06 6.44e-61 . . . . 18379 1 11 no DBJ BAI30730 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 12 no EMBL CAA37071 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 116 97.09 98.06 7.92e-61 . . . . 18379 1 13 no EMBL CAP76230 . "N,N'-diacetylchitobiose-specific phosphotransferase [Escherichia coli LF82]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 14 no EMBL CAQ32210 . "chbA, subunit of EIIChb [Escherichia coli BL21(DE3)]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 15 no EMBL CAQ98653 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli IAI1]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 16 no EMBL CAR03096 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli S88]" . . . . . 100.00 116 98.06 98.06 9.89e-62 . . . . 18379 1 17 no GB AAA23551 . "PTS enzyme III cel [Escherichia coli]" . . . . . 99.03 116 99.02 99.02 1.33e-61 . . . . 18379 1 18 no GB AAA23552 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 19 no GB AAA23553 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 20 no GB AAA23554 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 21 no GB AAA23555 . "PTS enzyme III cel [Escherichia coli]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 22 no REF NP_310469 . "PTS system N,N'-diacetylchitobiose-specific transporter subunit IIA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 23 no REF NP_416250 . "N,N'-diacetylchitobiose-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 24 no REF NP_707375 . "PTS system N,N'-diacetylchitobiose-specific transporter subunit IIA [Shigella flexneri 2a str. 301]" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 25 no REF WP_000522898 . "PTS N'-diacetylchitobiose transporter subunit IIA [Shigella flexneri]" . . . . . 92.23 95 98.95 98.95 7.59e-57 . . . . 18379 1 26 no REF WP_000968907 . "PTS N'-diacetylchitobiose transporter subunit IIA [Escherichia coli]" . . . . . 100.00 116 99.03 99.03 3.75e-62 . . . . 18379 1 27 no SP P69791 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 28 no SP P69792 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 29 no SP P69793 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 1 30 no SP P69794 . "RecName: Full=N,N'-diacetylchitobiose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Chb; AltName: Full=E" . . . . . 100.00 116 99.03 99.03 3.40e-62 . . . . 18379 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 . ALA . 18379 1 2 . GLU . 18379 1 3 . GLU . 18379 1 4 . LEU . 18379 1 5 . GLU . 18379 1 6 . GLU . 18379 1 7 . VAL . 18379 1 8 . VAL . 18379 1 9 . MET . 18379 1 10 . GLY . 18379 1 11 . LEU . 18379 1 12 . ILE . 18379 1 13 . ILE . 18379 1 14 . ASN . 18379 1 15 . SER . 18379 1 16 . GLY . 18379 1 17 . GLN . 18379 1 18 . ALA . 18379 1 19 . ARG . 18379 1 20 . SER . 18379 1 21 . LEU . 18379 1 22 . ALA . 18379 1 23 . TYR . 18379 1 24 . ALA . 18379 1 25 . ALA . 18379 1 26 . LEU . 18379 1 27 . LYS . 18379 1 28 . GLN . 18379 1 29 . ALA . 18379 1 30 . LYS . 18379 1 31 . GLN . 18379 1 32 . GLY . 18379 1 33 . ASP . 18379 1 34 . PHE . 18379 1 35 . ALA . 18379 1 36 . ALA . 18379 1 37 . ALA . 18379 1 38 . LYS . 18379 1 39 . ALA . 18379 1 40 . MET . 18379 1 41 . MET . 18379 1 42 . ASP . 18379 1 43 . GLN . 18379 1 44 . SER . 18379 1 45 . ARG . 18379 1 46 . MET . 18379 1 47 . ALA . 18379 1 48 . LEU . 18379 1 49 . ASN . 18379 1 50 . GLU . 18379 1 51 . ALA . 18379 1 52 . HIS . 18379 1 53 . LEU . 18379 1 54 . VAL . 18379 1 55 . GLN . 18379 1 56 . THR . 18379 1 57 . LYS . 18379 1 58 . LEU . 18379 1 59 . ILE . 18379 1 60 . GLU . 18379 1 61 . GLY . 18379 1 62 . ASP . 18379 1 63 . ALA . 18379 1 64 . GLY . 18379 1 65 . GLU . 18379 1 66 . GLY . 18379 1 67 . LYS . 18379 1 68 . MET . 18379 1 69 . LYS . 18379 1 70 . VAL . 18379 1 71 . SER . 18379 1 72 . LEU . 18379 1 73 . VAL . 18379 1 74 . LEU . 18379 1 75 . VAL . 18379 1 76 . HIS . 18379 1 77 . ALA . 18379 1 78 . GLN . 18379 1 79 . LEU . 18379 1 80 . HIS . 18379 1 81 . LEU . 18379 1 82 . MET . 18379 1 83 . THR . 18379 1 84 . SER . 18379 1 85 . MET . 18379 1 86 . LEU . 18379 1 87 . ALA . 18379 1 88 . ARG . 18379 1 89 . GLU . 18379 1 90 . LEU . 18379 1 91 . ILE . 18379 1 92 . THR . 18379 1 93 . GLU . 18379 1 94 . LEU . 18379 1 95 . ILE . 18379 1 96 . GLU . 18379 1 97 . LEU . 18379 1 98 . HIS . 18379 1 99 . GLU . 18379 1 100 . LYS . 18379 1 101 . LEU . 18379 1 102 . LYS . 18379 1 103 . ALA . 18379 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 18379 1 . GLU 2 2 18379 1 . GLU 3 3 18379 1 . LEU 4 4 18379 1 . GLU 5 5 18379 1 . GLU 6 6 18379 1 . VAL 7 7 18379 1 . VAL 8 8 18379 1 . MET 9 9 18379 1 . GLY 10 10 18379 1 . LEU 11 11 18379 1 . ILE 12 12 18379 1 . ILE 13 13 18379 1 . ASN 14 14 18379 1 . SER 15 15 18379 1 . GLY 16 16 18379 1 . GLN 17 17 18379 1 . ALA 18 18 18379 1 . ARG 19 19 18379 1 . SER 20 20 18379 1 . LEU 21 21 18379 1 . ALA 22 22 18379 1 . TYR 23 23 18379 1 . ALA 24 24 18379 1 . ALA 25 25 18379 1 . LEU 26 26 18379 1 . LYS 27 27 18379 1 . GLN 28 28 18379 1 . ALA 29 29 18379 1 . LYS 30 30 18379 1 . GLN 31 31 18379 1 . GLY 32 32 18379 1 . ASP 33 33 18379 1 . PHE 34 34 18379 1 . ALA 35 35 18379 1 . ALA 36 36 18379 1 . ALA 37 37 18379 1 . LYS 38 38 18379 1 . ALA 39 39 18379 1 . MET 40 40 18379 1 . MET 41 41 18379 1 . ASP 42 42 18379 1 . GLN 43 43 18379 1 . SER 44 44 18379 1 . ARG 45 45 18379 1 . MET 46 46 18379 1 . ALA 47 47 18379 1 . LEU 48 48 18379 1 . ASN 49 49 18379 1 . GLU 50 50 18379 1 . ALA 51 51 18379 1 . HIS 52 52 18379 1 . LEU 53 53 18379 1 . VAL 54 54 18379 1 . GLN 55 55 18379 1 . THR 56 56 18379 1 . LYS 57 57 18379 1 . LEU 58 58 18379 1 . ILE 59 59 18379 1 . GLU 60 60 18379 1 . GLY 61 61 18379 1 . ASP 62 62 18379 1 . ALA 63 63 18379 1 . GLY 64 64 18379 1 . GLU 65 65 18379 1 . GLY 66 66 18379 1 . LYS 67 67 18379 1 . MET 68 68 18379 1 . LYS 69 69 18379 1 . VAL 70 70 18379 1 . SER 71 71 18379 1 . LEU 72 72 18379 1 . VAL 73 73 18379 1 . LEU 74 74 18379 1 . VAL 75 75 18379 1 . HIS 76 76 18379 1 . ALA 77 77 18379 1 . GLN 78 78 18379 1 . LEU 79 79 18379 1 . HIS 80 80 18379 1 . LEU 81 81 18379 1 . MET 82 82 18379 1 . THR 83 83 18379 1 . SER 84 84 18379 1 . MET 85 85 18379 1 . LEU 86 86 18379 1 . ALA 87 87 18379 1 . ARG 88 88 18379 1 . GLU 89 89 18379 1 . LEU 90 90 18379 1 . ILE 91 91 18379 1 . THR 92 92 18379 1 . GLU 93 93 18379 1 . LEU 94 94 18379 1 . ILE 95 95 18379 1 . GLU 96 96 18379 1 . LEU 97 97 18379 1 . HIS 98 98 18379 1 . GLU 99 99 18379 1 . LYS 100 100 18379 1 . LEU 101 101 18379 1 . LYS 102 102 18379 1 . ALA 103 103 18379 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18379 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; _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 85 _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 9129.425 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 17095 . HPr . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 2 no BMRB 17274 . HPr . . . . . 100.00 85 97.65 97.65 1.81e-49 . . . . 18379 2 3 no BMRB 2060 . "phosphocarrier protein HPr" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 4 no BMRB 2371 . "phosphocarrier protein HPr" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 5 no BMRB 29 . "phosphocarrier protein HPr" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 6 no BMRB 4264 . HPr . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 7 no PDB 1CM2 . "Structure Of His15asp Hpr After Hydrolysis Of Ringed Species." . . . . . 100.00 85 98.82 98.82 9.25e-51 . . . . 18379 2 8 no PDB 1CM3 . "His15asp Hpr From E. Coli" . . . . . 100.00 85 98.82 98.82 9.25e-51 . . . . 18379 2 9 no PDB 1GGR . "Complex Of Enzyme Iiaglc And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 10 no PDB 1HDN . "The High-Resolution Structure Of The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Determined By Restra" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 11 no PDB 1J6T . "Complex Of Enzyme Iiamtl And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 12 no PDB 1OPD . "Histidine-Containing Protein (Hpr), Mutant With Ser 46 Replaced By Asp (S46d)" . . . . . 100.00 85 97.65 98.82 9.77e-51 . . . . 18379 2 13 no PDB 1PFH . "The Phosphorylated Form Of The Histidine-Containing Phosphocarrier Protein Hpr" . . . . . 100.00 85 98.82 98.82 1.27e-50 . . . . 18379 2 14 no PDB 1POH . "The 2.0 Angstroms Resolution Structure Of Escherichia Coli Histidine-containing Phosphocarrier Protein Hpr: A Redetermination" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 15 no PDB 1VRC . "Complex Of Enzyme Iiamannose And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regu" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 16 no PDB 2JEL . "Jel42 FabHPR COMPLEX" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 17 no PDB 2LRK . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 18 no PDB 2LRL . "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 19 no PDB 2XDF . "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 20 no PDB 3CCD . "1.0 A Structure Of Post-Succinimide His15asp Hpr" . . . . . 100.00 85 97.65 98.82 3.77e-50 . . . . 18379 2 21 no PDB 3EZA . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 22 no PDB 3EZB . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 23 no PDB 3EZE . "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 24 no DBJ BAA16289 . "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 25 no DBJ BAB36710 . "PTS system protein HPr [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 26 no DBJ BAB92987 . "HPr of PTS system [Serratia marcescens]" . . . . . 100.00 85 98.82 100.00 1.29e-51 . . . . 18379 2 27 no DBJ BAG78230 . "phosphocarrier protein HPr [Escherichia coli SE11]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 28 no DBJ BAH64556 . "PTS family phosphohistidinoprotein-hexose phosphotransferase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 85 98.82 100.00 1.47e-51 . . . . 18379 2 29 no EMBL CAA32865 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 30 no EMBL CAA35818 . "unnamed protein product [Klebsiella pneumoniae]" . . . . . 100.00 85 98.82 100.00 1.47e-51 . . . . 18379 2 31 no EMBL CAD07663 . "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 32 no EMBL CAG73805 . "PTS system phosphocarrier protein [Pectobacterium atrosepticum SCRI1043]" . . . . . 100.00 85 97.65 100.00 4.36e-51 . . . . 18379 2 33 no EMBL CAH21953 . "PTS system, phosphocarrier protein [Yersinia pseudotuberculosis IP 32953]" . . . . . 100.00 85 97.65 100.00 6.74e-51 . . . . 18379 2 34 no GB AAA23655 . "ptsH protein [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 35 no GB AAA24384 . "HPr protein (EC 2.7.1.68) [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 36 no GB AAA24438 . "histidine-containing protein [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 37 no GB AAA24440 . "HPr [Escherichia coli]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 38 no GB AAA27052 . "ptsH protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 39 no PIR AE0810 . "phosphocarrier protein HPr [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 40 no PRF 1107231B . "protein,His containing" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 41 no REF NP_288977 . "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 42 no REF NP_311314 . "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 43 no REF NP_416910 . "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 44 no REF NP_456968 . "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 45 no REF NP_461366 . "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Salmonella enterica subsp. enterica serovar Typhimurium str. " . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 46 no SP P0AA04 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli K-12]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 47 no SP P0AA05 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli CFT073]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 48 no SP P0AA06 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Escherichia coli O157:H7]" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 49 no SP P0AA07 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 50 no SP P0AA08 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" . . . . . 100.00 85 100.00 100.00 5.05e-52 . . . . 18379 2 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 1 301 MET . 18379 2 2 302 PHE . 18379 2 3 303 GLN . 18379 2 4 304 GLN . 18379 2 5 305 GLU . 18379 2 6 306 VAL . 18379 2 7 307 THR . 18379 2 8 308 ILE . 18379 2 9 309 THR . 18379 2 10 310 ALA . 18379 2 11 311 PRO . 18379 2 12 312 ASN . 18379 2 13 313 GLY . 18379 2 14 314 LEU . 18379 2 15 315 HIS . 18379 2 16 316 THR . 18379 2 17 317 ARG . 18379 2 18 318 PRO . 18379 2 19 319 ALA . 18379 2 20 320 ALA . 18379 2 21 321 GLN . 18379 2 22 322 PHE . 18379 2 23 323 VAL . 18379 2 24 324 LYS . 18379 2 25 325 GLU . 18379 2 26 326 ALA . 18379 2 27 327 LYS . 18379 2 28 328 GLY . 18379 2 29 329 PHE . 18379 2 30 330 THR . 18379 2 31 331 SER . 18379 2 32 332 GLU . 18379 2 33 333 ILE . 18379 2 34 334 THR . 18379 2 35 335 VAL . 18379 2 36 336 THR . 18379 2 37 337 SER . 18379 2 38 338 ASN . 18379 2 39 339 GLY . 18379 2 40 340 LYS . 18379 2 41 341 SER . 18379 2 42 342 ALA . 18379 2 43 343 SER . 18379 2 44 344 ALA . 18379 2 45 345 LYS . 18379 2 46 346 SER . 18379 2 47 347 LEU . 18379 2 48 348 PHE . 18379 2 49 349 LYS . 18379 2 50 350 LEU . 18379 2 51 351 GLN . 18379 2 52 352 THR . 18379 2 53 353 LEU . 18379 2 54 354 GLY . 18379 2 55 355 LEU . 18379 2 56 356 THR . 18379 2 57 357 GLN . 18379 2 58 358 GLY . 18379 2 59 359 THR . 18379 2 60 360 VAL . 18379 2 61 361 VAL . 18379 2 62 362 THR . 18379 2 63 363 ILE . 18379 2 64 364 SER . 18379 2 65 365 ALA . 18379 2 66 366 GLU . 18379 2 67 367 GLY . 18379 2 68 368 GLU . 18379 2 69 369 ASP . 18379 2 70 370 GLU . 18379 2 71 371 GLN . 18379 2 72 372 LYS . 18379 2 73 373 ALA . 18379 2 74 374 VAL . 18379 2 75 375 GLU . 18379 2 76 376 HIS . 18379 2 77 377 LEU . 18379 2 78 378 VAL . 18379 2 79 379 LYS . 18379 2 80 380 LEU . 18379 2 81 381 MET . 18379 2 82 382 ALA . 18379 2 83 383 GLU . 18379 2 84 384 LEU . 18379 2 85 385 GLU . 18379 2 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 18379 2 . PHE 2 2 18379 2 . GLN 3 3 18379 2 . GLN 4 4 18379 2 . GLU 5 5 18379 2 . VAL 6 6 18379 2 . THR 7 7 18379 2 . ILE 8 8 18379 2 . THR 9 9 18379 2 . ALA 10 10 18379 2 . PRO 11 11 18379 2 . ASN 12 12 18379 2 . GLY 13 13 18379 2 . LEU 14 14 18379 2 . HIS 15 15 18379 2 . THR 16 16 18379 2 . ARG 17 17 18379 2 . PRO 18 18 18379 2 . ALA 19 19 18379 2 . ALA 20 20 18379 2 . GLN 21 21 18379 2 . PHE 22 22 18379 2 . VAL 23 23 18379 2 . LYS 24 24 18379 2 . GLU 25 25 18379 2 . ALA 26 26 18379 2 . LYS 27 27 18379 2 . GLY 28 28 18379 2 . PHE 29 29 18379 2 . THR 30 30 18379 2 . SER 31 31 18379 2 . GLU 32 32 18379 2 . ILE 33 33 18379 2 . THR 34 34 18379 2 . VAL 35 35 18379 2 . THR 36 36 18379 2 . SER 37 37 18379 2 . ASN 38 38 18379 2 . GLY 39 39 18379 2 . LYS 40 40 18379 2 . SER 41 41 18379 2 . ALA 42 42 18379 2 . SER 43 43 18379 2 . ALA 44 44 18379 2 . LYS 45 45 18379 2 . SER 46 46 18379 2 . LEU 47 47 18379 2 . PHE 48 48 18379 2 . LYS 49 49 18379 2 . LEU 50 50 18379 2 . GLN 51 51 18379 2 . THR 52 52 18379 2 . LEU 53 53 18379 2 . GLY 54 54 18379 2 . LEU 55 55 18379 2 . THR 56 56 18379 2 . GLN 57 57 18379 2 . GLY 58 58 18379 2 . THR 59 59 18379 2 . VAL 60 60 18379 2 . VAL 61 61 18379 2 . THR 62 62 18379 2 . ILE 63 63 18379 2 . SER 64 64 18379 2 . ALA 65 65 18379 2 . GLU 66 66 18379 2 . GLY 67 67 18379 2 . GLU 68 68 18379 2 . ASP 69 69 18379 2 . GLU 70 70 18379 2 . GLN 71 71 18379 2 . LYS 72 72 18379 2 . ALA 73 73 18379 2 . VAL 74 74 18379 2 . GLU 75 75 18379 2 . HIS 76 76 18379 2 . LEU 77 77 18379 2 . VAL 78 78 18379 2 . LYS 79 79 18379 2 . LEU 80 80 18379 2 . MET 81 81 18379 2 . ALA 82 82 18379 2 . GLU 83 83 18379 2 . LEU 84 84 18379 2 . GLU 85 85 18379 2 stop_ save_ save_entity_PHO _Entity.Sf_category entity _Entity.Sf_framecode entity_PHO _Entity.Entry_ID 18379 _Entity.ID 3 _Entity.BMRB_code PHO _Entity.Name entity_PHO _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PHO _Entity.Nonpolymer_comp_label $chem_comp_PHO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 871.200 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHEOPHYTIN A' BMRB 18379 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHEOPHYTIN A' BMRB 18379 3 PHO 'Three letter code' 18379 3 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 PHO $chem_comp_PHO 18379 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PHO C1 18379 3 2 1 PHO C10 18379 3 3 1 PHO C11 18379 3 4 1 PHO C12 18379 3 5 1 PHO C13 18379 3 6 1 PHO C14 18379 3 7 1 PHO C15 18379 3 8 1 PHO C16 18379 3 9 1 PHO C17 18379 3 10 1 PHO C18 18379 3 11 1 PHO C19 18379 3 12 1 PHO C1A 18379 3 13 1 PHO C1B 18379 3 14 1 PHO C1C 18379 3 15 1 PHO C1D 18379 3 16 1 PHO C2 18379 3 17 1 PHO C20 18379 3 18 1 PHO C2A 18379 3 19 1 PHO C2B 18379 3 20 1 PHO C2C 18379 3 21 1 PHO C2D 18379 3 22 1 PHO C3 18379 3 23 1 PHO C3A 18379 3 24 1 PHO C3B 18379 3 25 1 PHO C3C 18379 3 26 1 PHO C3D 18379 3 27 1 PHO C4 18379 3 28 1 PHO C4A 18379 3 29 1 PHO C4B 18379 3 30 1 PHO C4C 18379 3 31 1 PHO C4D 18379 3 32 1 PHO C5 18379 3 33 1 PHO C6 18379 3 34 1 PHO C7 18379 3 35 1 PHO C8 18379 3 36 1 PHO C9 18379 3 37 1 PHO CAA 18379 3 38 1 PHO CAB 18379 3 39 1 PHO CAC 18379 3 40 1 PHO CAD 18379 3 41 1 PHO CBA 18379 3 42 1 PHO CBB 18379 3 43 1 PHO CBC 18379 3 44 1 PHO CBD 18379 3 45 1 PHO CED 18379 3 46 1 PHO CGA 18379 3 47 1 PHO CGD 18379 3 48 1 PHO CHA 18379 3 49 1 PHO CHB 18379 3 50 1 PHO CHC 18379 3 51 1 PHO CHD 18379 3 52 1 PHO CMA 18379 3 53 1 PHO CMB 18379 3 54 1 PHO CMC 18379 3 55 1 PHO CMD 18379 3 56 1 PHO H101 18379 3 57 1 PHO H102 18379 3 58 1 PHO H11 18379 3 59 1 PHO H111 18379 3 60 1 PHO H112 18379 3 61 1 PHO H12 18379 3 62 1 PHO H121 18379 3 63 1 PHO H122 18379 3 64 1 PHO H13 18379 3 65 1 PHO H141 18379 3 66 1 PHO H142 18379 3 67 1 PHO H143 18379 3 68 1 PHO H151 18379 3 69 1 PHO H152 18379 3 70 1 PHO H161 18379 3 71 1 PHO H162 18379 3 72 1 PHO H171 18379 3 73 1 PHO H172 18379 3 74 1 PHO H18 18379 3 75 1 PHO H191 18379 3 76 1 PHO H192 18379 3 77 1 PHO H193 18379 3 78 1 PHO H2 18379 3 79 1 PHO H201 18379 3 80 1 PHO H202 18379 3 81 1 PHO H203 18379 3 82 1 PHO H2A 18379 3 83 1 PHO H3A 18379 3 84 1 PHO H41 18379 3 85 1 PHO H42 18379 3 86 1 PHO H43 18379 3 87 1 PHO H51 18379 3 88 1 PHO H52 18379 3 89 1 PHO H61 18379 3 90 1 PHO H62 18379 3 91 1 PHO H71 18379 3 92 1 PHO H72 18379 3 93 1 PHO H8 18379 3 94 1 PHO H91 18379 3 95 1 PHO H92 18379 3 96 1 PHO H93 18379 3 97 1 PHO HAA1 18379 3 98 1 PHO HAA2 18379 3 99 1 PHO HAB 18379 3 100 1 PHO HAC1 18379 3 101 1 PHO HAC2 18379 3 102 1 PHO HBA1 18379 3 103 1 PHO HBA2 18379 3 104 1 PHO HBB1 18379 3 105 1 PHO HBB2 18379 3 106 1 PHO HBC1 18379 3 107 1 PHO HBC2 18379 3 108 1 PHO HBC3 18379 3 109 1 PHO HBD 18379 3 110 1 PHO HED1 18379 3 111 1 PHO HED2 18379 3 112 1 PHO HED3 18379 3 113 1 PHO HHB 18379 3 114 1 PHO HHC 18379 3 115 1 PHO HHD 18379 3 116 1 PHO HMA1 18379 3 117 1 PHO HMA2 18379 3 118 1 PHO HMA3 18379 3 119 1 PHO HMB1 18379 3 120 1 PHO HMB2 18379 3 121 1 PHO HMB3 18379 3 122 1 PHO HMC1 18379 3 123 1 PHO HMC2 18379 3 124 1 PHO HMC3 18379 3 125 1 PHO HMD1 18379 3 126 1 PHO HMD2 18379 3 127 1 PHO HMD3 18379 3 128 1 PHO HNB 18379 3 129 1 PHO HND 18379 3 130 1 PHO NA 18379 3 131 1 PHO NB 18379 3 132 1 PHO NC 18379 3 133 1 PHO ND 18379 3 134 1 PHO O1A 18379 3 135 1 PHO O1D 18379 3 136 1 PHO O2A 18379 3 137 1 PHO O2D 18379 3 138 1 PHO OBD 18379 3 stop_ save_ save_entity_ANI _Entity.Sf_category entity _Entity.Sf_framecode entity_ANI _Entity.Entry_ID 18379 _Entity.ID 4 _Entity.BMRB_code ANI _Entity.Name entity_ANI _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ANI _Entity.Nonpolymer_comp_label $chem_comp_ANI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 161.124 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 4-(trifluoromethyl)aniline BMRB 18379 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 4-(trifluoromethyl)aniline BMRB 18379 4 ANI 'Three letter code' 18379 4 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 ANI $chem_comp_ANI 18379 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ANI C1 18379 4 2 1 ANI C2 18379 4 3 1 ANI C3 18379 4 4 1 ANI C4 18379 4 5 1 ANI C5 18379 4 6 1 ANI C6 18379 4 7 1 ANI C7 18379 4 8 1 ANI F1 18379 4 9 1 ANI F2 18379 4 10 1 ANI F3 18379 4 11 1 ANI H2 18379 4 12 1 ANI H3 18379 4 13 1 ANI H5 18379 4 14 1 ANI H6 18379 4 15 1 ANI HN1 18379 4 16 1 ANI HN2 18379 4 17 1 ANI N 18379 4 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 18379 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18379 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18379 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 18379 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet11 . . . . . . 18379 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet11 . . . . . . 18379 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PHO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PHO _Chem_comp.Entry_ID 18379 _Chem_comp.ID PHO _Chem_comp.Provenance PDB _Chem_comp.Name 'PHEOPHYTIN A' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PHO _Chem_comp.PDB_code PHO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PHO _Chem_comp.Number_atoms_all 138 _Chem_comp.Number_atoms_nh 64 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C55 H74 N4 O5' _Chem_comp.Formula_weight 871.200 _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 2AXT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c([nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C SMILES 'OpenEye OEToolkits' 1.5.0 18379 PHO CCC/1=C(c2\cc/3\c(c(/c(/[nH]3)c/c4n/c(c/5\c6c(c(c([nH]6)\cc1/n2)C)C(=O)[C@@H]5C(=O)OC)/[C@H]([C@@H]4C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18379 PHO CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C SMILES_CANONICAL CACTVS 3.341 18379 PHO CCc1c(C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C=C SMILES CACTVS 3.341 18379 PHO CQIKWXUXPNUNDV-RCBXBCQGSA-N InChIKey InChI 1.03 18379 PHO InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 InChI InChI 1.03 18379 PHO O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c2nc(cc1c(c(c(n1)cc5nc(cc4c(c3C(=O)C(C(=O)OC)c2c3n4)C)C(=C5C)CC)\C=C)C)C6C SMILES ACDLabs 10.04 18379 PHO 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 'methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylate' 'SYSTEMATIC NAME' ACDLabs 10.04 18379 PHO 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 CHA CHA CHA CHA . C . . N 0 . . . 1 yes no . . . . 8.106 . 3.525 . -3.426 . -4.449 -1.567 -1.256 1 . 18379 PHO CHB CHB CHB CHB . C . . N 0 . . . 1 yes no . . . . 8.342 . 2.322 . 1.263 . -2.783 2.801 -0.256 2 . 18379 PHO CHC CHC CHC CHC . C . . N 0 . . . 1 yes no . . . . 10.745 . -1.694 . 0.310 . -7.406 4.016 0.830 3 . 18379 PHO CHD CHD CHD CHD . C . . N 0 . . . 1 yes no . . . . 10.610 . -0.561 . -4.448 . -9.143 -0.414 -0.127 4 . 18379 PHO NA NA NA 'N A' . N . . N 0 . . . 1 yes no . . . . 8.369 . 2.726 . -1.140 . -3.788 0.665 -0.707 5 . 18379 PHO C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 7.941 . 3.654 . -2.051 . -3.510 -0.564 -1.100 6 . 18379 PHO C2A C2A C2A C2A . C . . S 0 . . . 1 no no . . . . 7.273 . 4.796 . -1.340 . -2.024 -0.690 -1.340 7 . 18379 PHO C3A C3A C3A C3A . C . . S 0 . . . 1 no no . . . . 7.368 . 4.391 . 0.111 . -1.496 0.723 -1.015 8 . 18379 PHO C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 8.065 . 3.080 . 0.101 . -2.755 1.479 -0.626 9 . 18379 PHO CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 8.249 . 5.438 . 0.787 . -0.510 0.677 0.153 10 . 18379 PHO CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 5.766 . 4.954 . -1.711 . -1.409 -1.727 -0.398 11 . 18379 PHO CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.095 . 6.085 . -1.108 . 0.059 -1.945 -0.767 12 . 18379 PHO CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 3.708 . 5.854 . -0.791 . 0.705 -2.849 0.251 13 . 18379 PHO O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 3.221 . 4.730 . -0.962 . 0.076 -3.221 1.213 14 . 18379 PHO O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 2.984 . 6.865 . -0.298 . 1.978 -3.241 0.089 15 . 18379 PHO NB NB NB 'N B' . N . . N 0 . . . 1 yes no . . . . 9.524 . 0.401 . 0.441 . -5.224 3.015 0.182 16 . 18379 PHO C1B C1B C1B C1B . C . . N 0 . . . 1 yes no . . . . 8.964 . 1.147 . 1.425 . -3.939 3.493 0.104 17 . 18379 PHO C2B C2B C2B C2B . C . . N 0 . . . 1 yes no . . . . 9.149 . 0.468 . 2.700 . -3.948 4.852 0.450 18 . 18379 PHO C3B C3B C3B C3B . C . . N 0 . . . 1 yes no . . . . 9.845 . -0.699 . 2.444 . -5.250 5.204 0.753 19 . 18379 PHO C4B C4B C4B C4B . C . . N 0 . . . 1 yes no . . . . 10.081 . -0.720 . 1.007 . -6.056 4.037 0.592 20 . 18379 PHO CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 8.653 . 1.001 . 4.039 . -2.751 5.767 0.487 21 . 18379 PHO CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 10.179 . -1.589 . 3.576 . -5.720 6.539 1.165 22 . 18379 PHO CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 9.901 . -2.821 . 3.641 . -5.322 7.618 0.500 23 . 18379 PHO NC NC NC 'N C' . N . . N 0 . . . 1 yes no . . . . 10.522 . -0.832 . -2.000 . -7.962 1.691 0.272 24 . 18379 PHO C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 10.960 . -1.745 . -1.092 . -8.263 2.919 0.691 25 . 18379 PHO C2C C2C C2C C2C . C . . N 0 . . . 1 no no . . . . 11.679 . -2.817 . -1.787 . -9.657 2.957 0.985 26 . 18379 PHO C3C C3C C3C C3C . C . . N 0 . . . 1 no no . . . . 11.639 . -2.519 . -3.128 . -10.152 1.725 0.718 27 . 18379 PHO C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 10.906 . -1.249 . -3.258 . -9.066 0.935 0.267 28 . 18379 PHO CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 12.327 . -4.031 . -1.107 . -10.433 4.143 1.497 29 . 18379 PHO CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 12.205 . -3.303 . -4.256 . -11.583 1.279 0.875 30 . 18379 PHO CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 13.727 . -3.313 . -4.182 . -12.310 1.417 -0.465 31 . 18379 PHO ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . 9.406 . 1.338 . -3.540 . -6.724 -0.477 -0.568 32 . 18379 PHO C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 9.893 . 0.664 . -4.595 . -7.979 -1.064 -0.528 33 . 18379 PHO C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 9.585 . 1.326 . -5.817 . -7.861 -2.385 -0.952 34 . 18379 PHO C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 8.861 . 2.468 . -5.431 . -6.514 -2.617 -1.248 35 . 18379 PHO C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 8.787 . 2.441 . -4.025 . -5.816 -1.416 -0.996 36 . 18379 PHO CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 9.945 . 0.891 . -7.251 . -8.983 -3.384 -1.072 37 . 18379 PHO CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 8.180 . 3.638 . -5.868 . -5.572 -3.639 -1.715 38 . 18379 PHO OBD OBD OBD OBD . O . . N 0 . . . 1 no no . . . . 7.990 . 4.088 . -6.988 . -5.832 -4.782 -2.027 39 . 18379 PHO CBD CBD CBD CBD . C . . R 0 . . . 1 no no . . . . 7.594 . 4.331 . -4.594 . -4.210 -2.978 -1.728 40 . 18379 PHO CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 7.920 . 5.816 . -4.509 . -3.273 -3.692 -0.788 41 . 18379 PHO O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 7.055 . 6.642 . -4.602 . -3.342 -3.492 0.401 42 . 18379 PHO O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . 9.195 . 6.107 . -4.278 . -2.361 -4.550 -1.273 43 . 18379 PHO CED CED CED CED . C . . N 0 . . . 1 no no . . . . 9.656 . 7.448 . -4.009 . -1.542 -5.329 -0.362 44 . 18379 PHO C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 1.597 . 6.690 . 0.073 . 2.566 -4.198 1.009 45 . 18379 PHO C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 1.550 . 6.756 . 1.616 . 4.027 -4.376 0.684 46 . 18379 PHO C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 1.517 . 7.809 . 2.487 . 4.912 -4.417 1.649 47 . 18379 PHO C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 2.220 . 9.202 . 2.246 . 4.460 -4.451 3.086 48 . 18379 PHO C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 0.775 . 7.660 . 3.819 . 6.383 -4.429 1.322 49 . 18379 PHO C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 1.519 . 6.968 . 4.965 . 6.929 -3.001 1.375 50 . 18379 PHO C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 0.445 . 6.625 . 5.975 . 8.423 -3.014 1.042 51 . 18379 PHO C8 C8 C8 C8 . C . . R 0 . . . 1 no no . . . . -0.171 . 5.238 . 5.952 . 8.969 -1.586 1.096 52 . 18379 PHO C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -1.605 . 5.318 . 5.447 . 8.878 -1.058 2.529 53 . 18379 PHO C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -0.091 . 4.630 . 7.354 . 10.431 -1.581 0.643 54 . 18379 PHO C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -1.125 . 3.591 . 7.703 . 10.940 -0.140 0.576 55 . 18379 PHO C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -0.397 . 2.505 . 8.412 . 12.401 -0.136 0.123 56 . 18379 PHO C13 C13 C13 C13 . C . . R 0 . . . 1 no no . . . . 0.583 . 1.655 . 7.611 . 12.911 1.305 0.057 57 . 18379 PHO C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -0.204 . 0.601 . 6.854 . 12.921 1.908 1.464 58 . 18379 PHO C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 1.602 . 0.964 . 8.537 . 14.330 1.319 -0.514 59 . 18379 PHO C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 2.763 . 1.766 . 9.111 . 14.792 2.766 -0.697 60 . 18379 PHO C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 3.432 . 1.075 . 10.292 . 16.212 2.779 -1.268 61 . 18379 PHO C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 4.574 . 0.106 . 9.964 . 16.674 4.226 -1.451 62 . 18379 PHO C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 5.685 . 0.260 . 10.968 . 18.135 4.241 -1.904 63 . 18379 PHO C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 4.119 . -1.337 . 10.005 . 15.805 4.909 -2.509 64 . 18379 PHO HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 7.990 . 2.770 . 2.181 . -1.847 3.341 -0.243 65 . 18379 PHO HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 11.148 . -2.511 . 0.889 . -7.856 4.944 1.150 66 . 18379 PHO HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 10.968 . -1.014 . -5.360 . -10.089 -0.936 -0.118 67 . 18379 PHO H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 7.747 . 5.755 . -1.598 . -1.822 -0.948 -2.380 68 . 18379 PHO H3A H3A H3A H3A . H . . N 0 . . . 1 no no . . . . 6.400 . 4.321 . 0.628 . -1.032 1.173 -1.893 69 . 18379 PHO HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 no no . . . . 8.461 . 5.127 . 1.821 . -0.864 -0.034 0.900 70 . 18379 PHO HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 no no . . . . 9.194 . 5.535 . 0.232 . 0.469 0.363 -0.210 71 . 18379 PHO HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 no no . . . . 7.727 . 6.406 . 0.795 . -0.431 1.667 0.602 72 . 18379 PHO HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 no no . . . . 5.704 . 5.075 . -2.803 . -1.477 -1.370 0.630 73 . 18379 PHO HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 no no . . . . 5.260 . 4.056 . -1.327 . -1.951 -2.669 -0.491 74 . 18379 PHO HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 no no . . . . 5.619 . 6.329 . -0.172 . 0.122 -2.405 -1.753 75 . 18379 PHO HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 no no . . . . 5.120 . 6.899 . -1.847 . 0.576 -0.985 -0.781 76 . 18379 PHO HNB HNB HNB HNB . H . . N 0 . . . 1 no no . . . . 9.530 . 0.628 . -0.533 . -5.502 2.108 -0.019 77 . 18379 PHO HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 no no . . . . 8.534 . 0.166 . 4.745 . -3.066 6.765 0.792 78 . 18379 PHO HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 no no . . . . 9.383 . 1.719 . 4.441 . -2.022 5.382 1.200 79 . 18379 PHO HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 no no . . . . 7.684 . 1.503 . 3.898 . -2.300 5.815 -0.504 80 . 18379 PHO HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 10.702 . -1.152 . 4.414 . -6.389 6.639 2.008 81 . 18379 PHO HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 no no . . . . 10.253 . -3.243 . 4.571 . -5.598 8.601 0.852 82 . 18379 PHO HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 no no . . . . 9.383 . -3.375 . 2.872 . -4.722 7.512 -0.392 83 . 18379 PHO HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 no no . . . . 12.482 . -4.828 . -1.849 . -10.424 4.140 2.587 84 . 18379 PHO HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 no no . . . . 13.296 . -3.737 . -0.678 . -9.975 5.062 1.133 85 . 18379 PHO HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 no no . . . . 11.667 . -4.398 . -0.307 . -11.462 4.085 1.143 86 . 18379 PHO HAC1 HAC1 HAC1 1HAC . H . . N 0 . . . 0 no no . . . . 11.833 . -4.337 . -4.200 . -12.077 1.899 1.622 87 . 18379 PHO HAC2 HAC2 HAC2 2HAC . H . . N 0 . . . 0 no no . . . . 11.896 . -2.840 . -5.205 . -11.606 0.237 1.194 88 . 18379 PHO HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 no no . . . . 14.144 . -3.315 . -5.200 . -11.816 0.797 -1.212 89 . 18379 PHO HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 no no . . . . 14.074 . -2.417 . -3.646 . -13.345 1.094 -0.351 90 . 18379 PHO HBC3 HBC3 HBC3 3HBC . H . . N 0 . . . 0 no no . . . . 14.062 . -4.214 . -3.647 . -12.288 2.459 -0.784 91 . 18379 PHO HND HND HND HND . H . . N 0 . . . 1 no no . . . . 9.485 . 1.075 . -2.578 . -6.521 0.442 -0.333 92 . 18379 PHO HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 no no . . . . 10.031 . 1.780 . -7.894 . -9.092 -3.923 -0.131 93 . 18379 PHO HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 no no . . . . 10.904 . 0.352 . -7.241 . -9.912 -2.862 -1.302 94 . 18379 PHO HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 no no . . . . 9.157 . 0.231 . -7.642 . -8.756 -4.091 -1.871 95 . 18379 PHO HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 6.494 . 4.333 . -4.612 . -3.801 -2.974 -2.739 96 . 18379 PHO HED1 HED1 HED1 1HED . H . . N 0 . . . 0 no no . . . . 9.773 . 7.585 . -2.924 . -0.882 -4.663 0.194 97 . 18379 PHO HED2 HED2 HED2 2HED . H . . N 0 . . . 0 no no . . . . 10.624 . 7.609 . -4.506 . -2.185 -5.868 0.334 98 . 18379 PHO HED3 HED3 HED3 3HED . H . . N 0 . . . 0 no no . . . . 8.922 . 8.172 . -4.393 . -0.945 -6.042 -0.930 99 . 18379 PHO H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . 0.976 . 7.485 . -0.367 . 2.463 -3.831 2.030 100 . 18379 PHO H12 H12 H12 2H1 . H . . N 0 . . . 1 no no . . . . 1.203 . 5.732 . -0.297 . 2.053 -5.155 0.914 101 . 18379 PHO H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 1.542 . 5.789 . 2.096 . 4.343 -4.470 -0.344 102 . 18379 PHO H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 2.383 . 9.703 . 3.212 . 3.373 -4.530 3.123 103 . 18379 PHO H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 3.187 . 9.043 . 1.747 . 4.903 -5.313 3.586 104 . 18379 PHO H43 H43 H43 3H4 . H . . N 0 . . . 1 no no . . . . 1.579 . 9.831 . 1.611 . 4.775 -3.537 3.589 105 . 18379 PHO H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 0.529 . 8.675 . 4.164 . 6.911 -5.048 2.047 106 . 18379 PHO H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . -0.082 . 7.007 . 3.598 . 6.529 -4.837 0.321 107 . 18379 PHO H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 2.033 . 6.062 . 4.612 . 6.401 -2.383 0.649 108 . 18379 PHO H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 2.301 . 7.611 . 5.397 . 6.783 -2.593 2.375 109 . 18379 PHO H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 0.903 . 6.745 . 6.968 . 8.951 -3.632 1.768 110 . 18379 PHO H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . -0.389 . 7.295 . 5.719 . 8.569 -3.422 0.042 111 . 18379 PHO H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 0.385 . 4.584 . 5.263 . 8.382 -0.947 0.435 112 . 18379 PHO H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . -2.295 . 5.337 . 6.303 . 9.267 -0.040 2.567 113 . 18379 PHO H92 H92 H92 2H9 . H . . N 0 . . . 1 no no . . . . -1.733 . 6.234 . 4.852 . 7.837 -1.061 2.851 114 . 18379 PHO H93 H93 H93 3H9 . H . . N 0 . . . 1 no no . . . . -1.822 . 4.440 . 4.821 . 9.465 -1.696 3.189 115 . 18379 PHO H101 H101 H101 1H10 . H . . N 0 . . . 0 no no . . . . 0.894 . 4.149 . 7.442 . 11.033 -2.147 1.354 116 . 18379 PHO H102 H102 H102 2H10 . H . . N 0 . . . 0 no no . . . . -0.271 . 5.466 . 8.046 . 10.507 -2.039 -0.343 117 . 18379 PHO H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . -1.903 . 4.022 . 8.350 . 10.338 0.426 -0.134 118 . 18379 PHO H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . -1.631 . 3.212 . 6.803 . 10.864 0.318 1.563 119 . 18379 PHO H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 0.183 . 2.985 . 9.214 . 13.003 -0.702 0.834 120 . 18379 PHO H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . -1.183 . 1.802 . 8.727 . 12.477 -0.594 -0.863 121 . 18379 PHO H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 1.137 . 2.303 . 6.916 . 12.255 1.893 -0.585 122 . 18379 PHO H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . -0.394 . 0.951 . 5.829 . 13.577 1.320 2.106 123 . 18379 PHO H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 0.374 . -0.334 . 6.821 . 13.284 2.934 1.416 124 . 18379 PHO H143 H143 H143 3H14 . H . . N 0 . . . 0 no no . . . . -1.162 . 0.423 . 7.364 . 11.910 1.898 1.870 125 . 18379 PHO H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 1.030 . 0.591 . 9.400 . 15.003 0.806 0.173 126 . 18379 PHO H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . 2.090 . 0.224 . 7.886 . 14.338 0.810 -1.478 127 . 18379 PHO H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . 3.514 . 1.904 . 8.319 . 14.119 3.278 -1.384 128 . 18379 PHO H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . 2.360 . 2.724 . 9.471 . 14.784 3.275 0.267 129 . 18379 PHO H171 H171 H171 1H17 . H . . N 0 . . . 0 no no . . . . 3.850 . 1.864 . 10.935 . 16.885 2.267 -0.581 130 . 18379 PHO H172 H172 H172 2H17 . H . . N 0 . . . 0 no no . . . . 2.647 . 0.459 . 10.755 . 16.220 2.270 -2.232 131 . 18379 PHO H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . 4.918 . 0.351 . 8.948 . 16.581 4.760 -0.505 132 . 18379 PHO H191 H191 H191 1H19 . H . . N 0 . . . 0 no no . . . . 6.651 . 0.298 . 10.444 . 18.228 3.708 -2.850 133 . 18379 PHO H192 H192 H192 2H19 . H . . N 0 . . . 0 no no . . . . 5.540 . 1.191 . 11.536 . 18.465 5.272 -2.034 134 . 18379 PHO H193 H193 H193 3H19 . H . . N 0 . . . 0 no no . . . . 5.676 . -0.596 . 11.659 . 18.754 3.755 -1.150 135 . 18379 PHO H201 H201 H201 1H20 . H . . N 0 . . . 0 no no . . . . 4.009 . -1.717 . 8.978 . 15.898 4.376 -3.455 136 . 18379 PHO H202 H202 H202 2H20 . H . . N 0 . . . 0 no no . . . . 4.865 . -1.942 . 10.541 . 14.764 4.898 -2.187 137 . 18379 PHO H203 H203 H203 3H20 . H . . N 0 . . . 0 no no . . . . 3.152 . -1.402 . 10.525 . 16.135 5.940 -2.640 138 . 18379 PHO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CHA C1A yes Z 1 . 18379 PHO 2 . SING CHA C4D yes N 2 . 18379 PHO 3 . SING CHA CBD no N 3 . 18379 PHO 4 . SING CHB C4A yes N 4 . 18379 PHO 5 . DOUB CHB C1B yes Z 5 . 18379 PHO 6 . SING CHB HHB no N 6 . 18379 PHO 7 . DOUB CHC C4B yes Z 7 . 18379 PHO 8 . SING CHC C1C yes N 8 . 18379 PHO 9 . SING CHC HHC no N 9 . 18379 PHO 10 . DOUB CHD C4C yes Z 10 . 18379 PHO 11 . SING CHD C1D yes N 11 . 18379 PHO 12 . SING CHD HHD no N 12 . 18379 PHO 13 . SING NA C1A yes N 13 . 18379 PHO 14 . DOUB NA C4A yes N 14 . 18379 PHO 15 . SING C1A C2A no N 15 . 18379 PHO 16 . SING C2A C3A no N 16 . 18379 PHO 17 . SING C2A CAA no N 17 . 18379 PHO 18 . SING C2A H2A no N 18 . 18379 PHO 19 . SING C3A C4A no N 19 . 18379 PHO 20 . SING C3A CMA no N 20 . 18379 PHO 21 . SING C3A H3A no N 21 . 18379 PHO 22 . SING CMA HMA1 no N 22 . 18379 PHO 23 . SING CMA HMA2 no N 23 . 18379 PHO 24 . SING CMA HMA3 no N 24 . 18379 PHO 25 . SING CAA CBA no N 25 . 18379 PHO 26 . SING CAA HAA1 no N 26 . 18379 PHO 27 . SING CAA HAA2 no N 27 . 18379 PHO 28 . SING CBA CGA no N 28 . 18379 PHO 29 . SING CBA HBA1 no N 29 . 18379 PHO 30 . SING CBA HBA2 no N 30 . 18379 PHO 31 . DOUB CGA O1A no N 31 . 18379 PHO 32 . SING CGA O2A no N 32 . 18379 PHO 33 . SING O2A C1 no N 33 . 18379 PHO 34 . SING NB C1B yes N 34 . 18379 PHO 35 . SING NB C4B yes N 35 . 18379 PHO 36 . SING NB HNB no N 36 . 18379 PHO 37 . SING C1B C2B yes N 37 . 18379 PHO 38 . DOUB C2B C3B yes N 38 . 18379 PHO 39 . SING C2B CMB no N 39 . 18379 PHO 40 . SING C3B C4B yes N 40 . 18379 PHO 41 . SING C3B CAB no N 41 . 18379 PHO 42 . SING CMB HMB1 no N 42 . 18379 PHO 43 . SING CMB HMB2 no N 43 . 18379 PHO 44 . SING CMB HMB3 no N 44 . 18379 PHO 45 . DOUB CAB CBB no N 45 . 18379 PHO 46 . SING CAB HAB no N 46 . 18379 PHO 47 . SING CBB HBB1 no N 47 . 18379 PHO 48 . SING CBB HBB2 no N 48 . 18379 PHO 49 . DOUB NC C1C yes N 49 . 18379 PHO 50 . SING NC C4C yes N 50 . 18379 PHO 51 . SING C1C C2C no N 51 . 18379 PHO 52 . DOUB C2C C3C no N 52 . 18379 PHO 53 . SING C2C CMC no N 53 . 18379 PHO 54 . SING C3C C4C no N 54 . 18379 PHO 55 . SING C3C CAC no N 55 . 18379 PHO 56 . SING CMC HMC1 no N 56 . 18379 PHO 57 . SING CMC HMC2 no N 57 . 18379 PHO 58 . SING CMC HMC3 no N 58 . 18379 PHO 59 . SING CAC CBC no N 59 . 18379 PHO 60 . SING CAC HAC1 no N 60 . 18379 PHO 61 . SING CAC HAC2 no N 61 . 18379 PHO 62 . SING CBC HBC1 no N 62 . 18379 PHO 63 . SING CBC HBC2 no N 63 . 18379 PHO 64 . SING CBC HBC3 no N 64 . 18379 PHO 65 . SING ND C1D yes N 65 . 18379 PHO 66 . SING ND C4D yes N 66 . 18379 PHO 67 . SING ND HND no N 67 . 18379 PHO 68 . DOUB C1D C2D yes N 68 . 18379 PHO 69 . SING C2D C3D yes N 69 . 18379 PHO 70 . SING C2D CMD no N 70 . 18379 PHO 71 . DOUB C3D C4D yes N 71 . 18379 PHO 72 . SING C3D CAD no N 72 . 18379 PHO 73 . SING CMD HMD1 no N 73 . 18379 PHO 74 . SING CMD HMD2 no N 74 . 18379 PHO 75 . SING CMD HMD3 no N 75 . 18379 PHO 76 . DOUB CAD OBD no N 76 . 18379 PHO 77 . SING CAD CBD no N 77 . 18379 PHO 78 . SING CBD CGD no N 78 . 18379 PHO 79 . SING CBD HBD no N 79 . 18379 PHO 80 . DOUB CGD O1D no N 80 . 18379 PHO 81 . SING CGD O2D no N 81 . 18379 PHO 82 . SING O2D CED no N 82 . 18379 PHO 83 . SING CED HED1 no N 83 . 18379 PHO 84 . SING CED HED2 no N 84 . 18379 PHO 85 . SING CED HED3 no N 85 . 18379 PHO 86 . SING C1 C2 no N 86 . 18379 PHO 87 . SING C1 H11 no N 87 . 18379 PHO 88 . SING C1 H12 no N 88 . 18379 PHO 89 . DOUB C2 C3 no N 89 . 18379 PHO 90 . SING C2 H2 no N 90 . 18379 PHO 91 . SING C3 C4 no N 91 . 18379 PHO 92 . SING C3 C5 no N 92 . 18379 PHO 93 . SING C4 H41 no N 93 . 18379 PHO 94 . SING C4 H42 no N 94 . 18379 PHO 95 . SING C4 H43 no N 95 . 18379 PHO 96 . SING C5 C6 no N 96 . 18379 PHO 97 . SING C5 H51 no N 97 . 18379 PHO 98 . SING C5 H52 no N 98 . 18379 PHO 99 . SING C6 C7 no N 99 . 18379 PHO 100 . SING C6 H61 no N 100 . 18379 PHO 101 . SING C6 H62 no N 101 . 18379 PHO 102 . SING C7 C8 no N 102 . 18379 PHO 103 . SING C7 H71 no N 103 . 18379 PHO 104 . SING C7 H72 no N 104 . 18379 PHO 105 . SING C8 C9 no N 105 . 18379 PHO 106 . SING C8 C10 no N 106 . 18379 PHO 107 . SING C8 H8 no N 107 . 18379 PHO 108 . SING C9 H91 no N 108 . 18379 PHO 109 . SING C9 H92 no N 109 . 18379 PHO 110 . SING C9 H93 no N 110 . 18379 PHO 111 . SING C10 C11 no N 111 . 18379 PHO 112 . SING C10 H101 no N 112 . 18379 PHO 113 . SING C10 H102 no N 113 . 18379 PHO 114 . SING C11 C12 no N 114 . 18379 PHO 115 . SING C11 H111 no N 115 . 18379 PHO 116 . SING C11 H112 no N 116 . 18379 PHO 117 . SING C12 C13 no N 117 . 18379 PHO 118 . SING C12 H121 no N 118 . 18379 PHO 119 . SING C12 H122 no N 119 . 18379 PHO 120 . SING C13 C14 no N 120 . 18379 PHO 121 . SING C13 C15 no N 121 . 18379 PHO 122 . SING C13 H13 no N 122 . 18379 PHO 123 . SING C14 H141 no N 123 . 18379 PHO 124 . SING C14 H142 no N 124 . 18379 PHO 125 . SING C14 H143 no N 125 . 18379 PHO 126 . SING C15 C16 no N 126 . 18379 PHO 127 . SING C15 H151 no N 127 . 18379 PHO 128 . SING C15 H152 no N 128 . 18379 PHO 129 . SING C16 C17 no N 129 . 18379 PHO 130 . SING C16 H161 no N 130 . 18379 PHO 131 . SING C16 H162 no N 131 . 18379 PHO 132 . SING C17 C18 no N 132 . 18379 PHO 133 . SING C17 H171 no N 133 . 18379 PHO 134 . SING C17 H172 no N 134 . 18379 PHO 135 . SING C18 C19 no N 135 . 18379 PHO 136 . SING C18 C20 no N 136 . 18379 PHO 137 . SING C18 H18 no N 137 . 18379 PHO 138 . SING C19 H191 no N 138 . 18379 PHO 139 . SING C19 H192 no N 139 . 18379 PHO 140 . SING C19 H193 no N 140 . 18379 PHO 141 . SING C20 H201 no N 141 . 18379 PHO 142 . SING C20 H202 no N 142 . 18379 PHO 143 . SING C20 H203 no N 143 . 18379 PHO stop_ save_ save_chem_comp_ANI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ANI _Chem_comp.Entry_ID 18379 _Chem_comp.ID ANI _Chem_comp.Provenance PDB _Chem_comp.Name 4-(trifluoromethyl)aniline _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ANI _Chem_comp.PDB_code ANI _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ANI _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C7 H6 F3 N' _Chem_comp.Formula_weight 161.124 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ELE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 c1cc(ccc1C(F)(F)F)N SMILES 'OpenEye OEToolkits' 1.7.0 18379 ANI c1cc(ccc1C(F)(F)F)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 18379 ANI FC(F)(F)c1ccc(N)cc1 SMILES ACDLabs 12.01 18379 ANI InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 InChI InChI 1.03 18379 ANI Nc1ccc(cc1)C(F)(F)F SMILES CACTVS 3.370 18379 ANI Nc1ccc(cc1)C(F)(F)F SMILES_CANONICAL CACTVS 3.370 18379 ANI ODGIMMLDVSWADK-UHFFFAOYSA-N InChIKey InChI 1.03 18379 ANI 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 4-(trifluoromethyl)aniline 'SYSTEMATIC NAME' ACDLabs 12.01 18379 ANI 4-(trifluoromethyl)aniline 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 18379 ANI 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 N N N N . N . . N 0 . . . 1 no no . . . . 36.339 . 19.208 . 37.808 . 3.902 0.000 0.001 1 . 18379 ANI C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . 36.000 . 18.237 . 38.690 . 2.505 -0.000 0.001 2 . 18379 ANI C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 35.385 . 18.637 . 39.861 . 1.809 1.202 -0.001 3 . 18379 ANI C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . 35.057 . 17.724 . 40.823 . 0.428 1.199 -0.001 4 . 18379 ANI C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 35.342 . 16.372 . 40.636 . -0.262 0.000 0.000 5 . 18379 ANI C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 35.950 . 15.968 . 39.450 . 0.428 -1.199 0.002 6 . 18379 ANI C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 36.275 . 16.888 . 38.489 . 1.809 -1.202 -0.003 7 . 18379 ANI C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 35.037 . 15.326 . 41.780 . -1.769 -0.000 0.000 8 . 18379 ANI F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 35.418 . 14.014 . 41.614 . -2.235 -0.001 -1.319 9 . 18379 ANI F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 35.650 . 15.727 . 42.894 . -2.235 -1.142 0.661 10 . 18379 ANI F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 33.733 . 15.316 . 42.082 . -2.235 1.143 0.659 11 . 18379 ANI HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 36.773 . 18.795 . 37.007 . 4.387 0.840 -0.000 12 . 18379 ANI HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no yes . . . . 35.517 . 19.702 . 37.524 . 4.387 -0.840 0.006 13 . 18379 ANI H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 35.161 . 19.682 . 40.017 . 2.347 2.138 -0.001 14 . 18379 ANI H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 34.575 . 18.051 . 41.732 . -0.114 2.133 -0.002 15 . 18379 ANI H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 36.167 . 14.923 . 39.287 . -0.114 -2.133 0.002 16 . 18379 ANI H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 36.746 . 16.565 . 37.572 . 2.347 -2.138 -0.007 17 . 18379 ANI stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N C1 no N 1 . 18379 ANI 2 . SING N HN1 no N 2 . 18379 ANI 3 . SING N HN2 no N 3 . 18379 ANI 4 . DOUB C1 C2 yes N 4 . 18379 ANI 5 . SING C1 C6 yes N 5 . 18379 ANI 6 . SING C2 C3 yes N 6 . 18379 ANI 7 . SING C2 H2 no N 7 . 18379 ANI 8 . DOUB C3 C4 yes N 8 . 18379 ANI 9 . SING C3 H3 no N 9 . 18379 ANI 10 . SING C4 C5 yes N 10 . 18379 ANI 11 . SING C4 C7 no N 11 . 18379 ANI 12 . DOUB C5 C6 yes N 12 . 18379 ANI 13 . SING C5 H5 no N 13 . 18379 ANI 14 . SING C6 H6 no N 14 . 18379 ANI 15 . SING C7 F1 no N 15 . 18379 ANI 16 . SING C7 F2 no N 16 . 18379 ANI 17 . SING C7 F3 no N 17 . 18379 ANI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18379 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 IIAChb '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 18379 1 2 HPR '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 1.0 . . mM . . . . 18379 1 3 'PHEOPHYTIN A' 'natural abundance' . . 3 $entity_PHO . . 1.0 . . mM . . . . 18379 1 4 4-TRIFLUOROMETHYLANILINE 'natural abundance' . . 4 $entity_ANI . . 1.0 . . mM . . . . 18379 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18379 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18379 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 18379 _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' 0.02 . M 18379 1 pH 7.4 . pH 18379 1 pressure 1 . atm 18379 1 temperature 308 . K 18379 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18379 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18379 1 Garrett . . 18379 1 'Schwieters, Kuszewski, Tjandra and Clore' . . 18379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18379 1 'data analysis' 18379 1 'geometry optimization' 18379 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 18379 _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_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18379 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18379 _NMR_spectrometer.ID 3 _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 18379 _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 . 600 . . . 18379 1 2 spectrometer_2 Bruker Avance . 800 . . . 18379 1 3 spectrometer_3 Bruker Avance . 900 . . . 18379 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 18379 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18379 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18379 1 3 '3D HN(COCA)CB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18379 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18379 1 5 'c13-c12 edited/filted NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18379 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18379 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $X-PLOR_NIH _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18379 _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 external indirect 0.251 . . . . . . . . . 18379 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18379 1 N 15 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.101 . . . . . . . . . 18379 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_IIAChb _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode IIAChb _Assigned_chem_shift_list.Entry_ID 18379 _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' . . . 18379 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 GLU HA H 1 4.388 . . 1 . . . A 2 GLU HA . 18379 1 2 . 1 1 2 2 GLU HB2 H 1 1.940 . . 1 . . . A 2 GLU HB2 . 18379 1 3 . 1 1 2 2 GLU HB3 H 1 2.110 . . 1 . . . A 2 GLU HB3 . 18379 1 4 . 1 1 2 2 GLU HG2 H 1 2.282 . . 1 . . . A 2 GLU HG2 . 18379 1 5 . 1 1 2 2 GLU HG3 H 1 2.282 . . 1 . . . A 2 GLU HG3 . 18379 1 6 . 1 1 2 2 GLU C C 13 176.335 . . 1 . . . A 2 GLU C . 18379 1 7 . 1 1 2 2 GLU CA C 13 56.591 . . 1 . . . A 2 GLU CA . 18379 1 8 . 1 1 2 2 GLU CB C 13 30.439 . . 1 . . . A 2 GLU CB . 18379 1 9 . 1 1 2 2 GLU CG C 13 36.457 . . 1 . . . A 2 GLU CG . 18379 1 10 . 1 1 3 3 GLU H H 1 8.765 . . 1 . . . A 3 GLU H . 18379 1 11 . 1 1 3 3 GLU HA H 1 4.356 . . 1 . . . A 3 GLU HA . 18379 1 12 . 1 1 3 3 GLU HB2 H 1 1.940 . . 1 . . . A 3 GLU HB2 . 18379 1 13 . 1 1 3 3 GLU HB3 H 1 2.110 . . 1 . . . A 3 GLU HB3 . 18379 1 14 . 1 1 3 3 GLU HG2 H 1 2.280 . . 1 . . . A 3 GLU HG2 . 18379 1 15 . 1 1 3 3 GLU HG3 H 1 2.340 . . 1 . . . A 3 GLU HG3 . 18379 1 16 . 1 1 3 3 GLU C C 13 177.487 . . 1 . . . A 3 GLU C . 18379 1 17 . 1 1 3 3 GLU CA C 13 56.653 . . 1 . . . A 3 GLU CA . 18379 1 18 . 1 1 3 3 GLU CB C 13 29.394 . . 1 . . . A 3 GLU CB . 18379 1 19 . 1 1 3 3 GLU CG C 13 36.320 . . 1 . . . A 3 GLU CG . 18379 1 20 . 1 1 3 3 GLU N N 15 122.694 . . 1 . . . A 3 GLU N . 18379 1 21 . 1 1 4 4 LEU H H 1 8.578 . . 1 . . . A 4 LEU H . 18379 1 22 . 1 1 4 4 LEU HA H 1 4.170 . . 1 . . . A 4 LEU HA . 18379 1 23 . 1 1 4 4 LEU HB2 H 1 1.640 . . 1 . . . A 4 LEU HB2 . 18379 1 24 . 1 1 4 4 LEU HB3 H 1 1.775 . . 1 . . . A 4 LEU HB3 . 18379 1 25 . 1 1 4 4 LEU HG H 1 1.650 . . 1 . . . A 4 LEU HG . 18379 1 26 . 1 1 4 4 LEU HD11 H 1 0.919 . . 1 . . . A 4 LEU HD11 . 18379 1 27 . 1 1 4 4 LEU HD12 H 1 0.919 . . 1 . . . A 4 LEU HD12 . 18379 1 28 . 1 1 4 4 LEU HD13 H 1 0.919 . . 1 . . . A 4 LEU HD13 . 18379 1 29 . 1 1 4 4 LEU HD21 H 1 0.952 . . 1 . . . A 4 LEU HD21 . 18379 1 30 . 1 1 4 4 LEU HD22 H 1 0.952 . . 1 . . . A 4 LEU HD22 . 18379 1 31 . 1 1 4 4 LEU HD23 H 1 0.952 . . 1 . . . A 4 LEU HD23 . 18379 1 32 . 1 1 4 4 LEU C C 13 178.124 . . 1 . . . A 4 LEU C . 18379 1 33 . 1 1 4 4 LEU CA C 13 57.097 . . 1 . . . A 4 LEU CA . 18379 1 34 . 1 1 4 4 LEU CB C 13 40.973 . . 1 . . . A 4 LEU CB . 18379 1 35 . 1 1 4 4 LEU CG C 13 27.242 . . 1 . . . A 4 LEU CG . 18379 1 36 . 1 1 4 4 LEU CD1 C 13 24.947 . . 1 . . . A 4 LEU CD1 . 18379 1 37 . 1 1 4 4 LEU CD2 C 13 24.668 . . 1 . . . A 4 LEU CD2 . 18379 1 38 . 1 1 4 4 LEU N N 15 122.722 . . 1 . . . A 4 LEU N . 18379 1 39 . 1 1 5 5 GLU H H 1 8.686 . . 1 . . . A 5 GLU H . 18379 1 40 . 1 1 5 5 GLU HA H 1 3.902 . . 1 . . . A 5 GLU HA . 18379 1 41 . 1 1 5 5 GLU HB2 H 1 2.125 . . 1 . . . A 5 GLU HB2 . 18379 1 42 . 1 1 5 5 GLU HB3 H 1 2.125 . . 1 . . . A 5 GLU HB3 . 18379 1 43 . 1 1 5 5 GLU HG2 H 1 2.338 . . 1 . . . A 5 GLU HG2 . 18379 1 44 . 1 1 5 5 GLU HG3 H 1 2.367 . . 1 . . . A 5 GLU HG3 . 18379 1 45 . 1 1 5 5 GLU C C 13 178.429 . . 1 . . . A 5 GLU C . 18379 1 46 . 1 1 5 5 GLU CA C 13 59.362 . . 1 . . . A 5 GLU CA . 18379 1 47 . 1 1 5 5 GLU CB C 13 28.900 . . 1 . . . A 5 GLU CB . 18379 1 48 . 1 1 5 5 GLU CG C 13 37.217 . . 1 . . . A 5 GLU CG . 18379 1 49 . 1 1 5 5 GLU N N 15 117.541 . . 1 . . . A 5 GLU N . 18379 1 50 . 1 1 6 6 GLU H H 1 7.832 . . 1 . . . A 6 GLU H . 18379 1 51 . 1 1 6 6 GLU HA H 1 4.123 . . 1 . . . A 6 GLU HA . 18379 1 52 . 1 1 6 6 GLU HB2 H 1 2.150 . . 1 . . . A 6 GLU HB2 . 18379 1 53 . 1 1 6 6 GLU HB3 H 1 2.150 . . 1 . . . A 6 GLU HB3 . 18379 1 54 . 1 1 6 6 GLU HG2 H 1 2.365 . . 1 . . . A 6 GLU HG2 . 18379 1 55 . 1 1 6 6 GLU HG3 H 1 2.365 . . 1 . . . A 6 GLU HG3 . 18379 1 56 . 1 1 6 6 GLU C C 13 179.386 . . 1 . . . A 6 GLU C . 18379 1 57 . 1 1 6 6 GLU CA C 13 58.745 . . 1 . . . A 6 GLU CA . 18379 1 58 . 1 1 6 6 GLU CB C 13 28.706 . . 1 . . . A 6 GLU CB . 18379 1 59 . 1 1 6 6 GLU CG C 13 36.215 . . 1 . . . A 6 GLU CG . 18379 1 60 . 1 1 6 6 GLU N N 15 118.541 . . 1 . . . A 6 GLU N . 18379 1 61 . 1 1 7 7 VAL H H 1 7.942 . . 1 . . . A 7 VAL H . 18379 1 62 . 1 1 7 7 VAL HA H 1 3.810 . . 1 . . . A 7 VAL HA . 18379 1 63 . 1 1 7 7 VAL HB H 1 2.245 . . 1 . . . A 7 VAL HB . 18379 1 64 . 1 1 7 7 VAL HG11 H 1 0.906 . . 1 . . . A 7 VAL HG11 . 18379 1 65 . 1 1 7 7 VAL HG12 H 1 0.906 . . 1 . . . A 7 VAL HG12 . 18379 1 66 . 1 1 7 7 VAL HG13 H 1 0.906 . . 1 . . . A 7 VAL HG13 . 18379 1 67 . 1 1 7 7 VAL HG21 H 1 1.043 . . 1 . . . A 7 VAL HG21 . 18379 1 68 . 1 1 7 7 VAL HG22 H 1 1.043 . . 1 . . . A 7 VAL HG22 . 18379 1 69 . 1 1 7 7 VAL HG23 H 1 1.043 . . 1 . . . A 7 VAL HG23 . 18379 1 70 . 1 1 7 7 VAL C C 13 179.145 . . 1 . . . A 7 VAL C . 18379 1 71 . 1 1 7 7 VAL CA C 13 65.345 . . 1 . . . A 7 VAL CA . 18379 1 72 . 1 1 7 7 VAL CB C 13 31.327 . . 1 . . . A 7 VAL CB . 18379 1 73 . 1 1 7 7 VAL CG1 C 13 22.077 . . 1 . . . A 7 VAL CG1 . 18379 1 74 . 1 1 7 7 VAL CG2 C 13 22.256 . . 1 . . . A 7 VAL CG2 . 18379 1 75 . 1 1 7 7 VAL N N 15 121.021 . . 1 . . . A 7 VAL N . 18379 1 76 . 1 1 8 8 VAL H H 1 8.273 . . 1 . . . A 8 VAL H . 18379 1 77 . 1 1 8 8 VAL HA H 1 3.635 . . 1 . . . A 8 VAL HA . 18379 1 78 . 1 1 8 8 VAL HB H 1 2.140 . . 1 . . . A 8 VAL HB . 18379 1 79 . 1 1 8 8 VAL HG11 H 1 0.982 . . 1 . . . A 8 VAL HG11 . 18379 1 80 . 1 1 8 8 VAL HG12 H 1 0.982 . . 1 . . . A 8 VAL HG12 . 18379 1 81 . 1 1 8 8 VAL HG13 H 1 0.982 . . 1 . . . A 8 VAL HG13 . 18379 1 82 . 1 1 8 8 VAL HG21 H 1 1.029 . . 1 . . . A 8 VAL HG21 . 18379 1 83 . 1 1 8 8 VAL HG22 H 1 1.029 . . 1 . . . A 8 VAL HG22 . 18379 1 84 . 1 1 8 8 VAL HG23 H 1 1.029 . . 1 . . . A 8 VAL HG23 . 18379 1 85 . 1 1 8 8 VAL C C 13 177.379 . . 1 . . . A 8 VAL C . 18379 1 86 . 1 1 8 8 VAL CA C 13 65.908 . . 1 . . . A 8 VAL CA . 18379 1 87 . 1 1 8 8 VAL CB C 13 31.041 . . 1 . . . A 8 VAL CB . 18379 1 88 . 1 1 8 8 VAL CG1 C 13 21.160 . . 1 . . . A 8 VAL CG1 . 18379 1 89 . 1 1 8 8 VAL CG2 C 13 23.632 . . 1 . . . A 8 VAL CG2 . 18379 1 90 . 1 1 8 8 VAL N N 15 119.581 . . 1 . . . A 8 VAL N . 18379 1 91 . 1 1 9 9 MET H H 1 8.001 . . 1 . . . A 9 MET H . 18379 1 92 . 1 1 9 9 MET HA H 1 4.228 . . 1 . . . A 9 MET HA . 18379 1 93 . 1 1 9 9 MET HB2 H 1 2.183 . . 1 . . . A 9 MET HB2 . 18379 1 94 . 1 1 9 9 MET HB3 H 1 2.183 . . 1 . . . A 9 MET HB3 . 18379 1 95 . 1 1 9 9 MET HG2 H 1 2.680 . . 1 . . . A 9 MET HG2 . 18379 1 96 . 1 1 9 9 MET HG3 H 1 2.680 . . 1 . . . A 9 MET HG3 . 18379 1 97 . 1 1 9 9 MET C C 13 178.706 . . 1 . . . A 9 MET C . 18379 1 98 . 1 1 9 9 MET CA C 13 57.831 . . 1 . . . A 9 MET CA . 18379 1 99 . 1 1 9 9 MET CB C 13 27.945 . . 1 . . . A 9 MET CB . 18379 1 100 . 1 1 9 9 MET CG C 13 32.032 . . 1 . . . A 9 MET CG . 18379 1 101 . 1 1 9 9 MET N N 15 119.636 . . 1 . . . A 9 MET N . 18379 1 102 . 1 1 10 10 GLY H H 1 7.764 . . 1 . . . A 10 GLY H . 18379 1 103 . 1 1 10 10 GLY C C 13 176.040 . . 1 . . . A 10 GLY C . 18379 1 104 . 1 1 10 10 GLY CA C 13 46.855 . . 1 . . . A 10 GLY CA . 18379 1 105 . 1 1 10 10 GLY N N 15 105.487 . . 1 . . . A 10 GLY N . 18379 1 106 . 1 1 11 11 LEU H H 1 7.581 . . 1 . . . A 11 LEU H . 18379 1 107 . 1 1 11 11 LEU HA H 1 4.170 . . 1 . . . A 11 LEU HA . 18379 1 108 . 1 1 11 11 LEU HB2 H 1 1.910 . . 1 . . . A 11 LEU HB2 . 18379 1 109 . 1 1 11 11 LEU HB3 H 1 1.970 . . 1 . . . A 11 LEU HB3 . 18379 1 110 . 1 1 11 11 LEU HG H 1 1.914 . . 1 . . . A 11 LEU HG . 18379 1 111 . 1 1 11 11 LEU HD11 H 1 0.913 . . 1 . . . A 11 LEU HD11 . 18379 1 112 . 1 1 11 11 LEU HD12 H 1 0.913 . . 1 . . . A 11 LEU HD12 . 18379 1 113 . 1 1 11 11 LEU HD13 H 1 0.913 . . 1 . . . A 11 LEU HD13 . 18379 1 114 . 1 1 11 11 LEU HD21 H 1 0.928 . . 1 . . . A 11 LEU HD21 . 18379 1 115 . 1 1 11 11 LEU HD22 H 1 0.928 . . 1 . . . A 11 LEU HD22 . 18379 1 116 . 1 1 11 11 LEU HD23 H 1 0.928 . . 1 . . . A 11 LEU HD23 . 18379 1 117 . 1 1 11 11 LEU C C 13 176.217 . . 1 . . . A 11 LEU C . 18379 1 118 . 1 1 11 11 LEU CA C 13 58.540 . . 1 . . . A 11 LEU CA . 18379 1 119 . 1 1 11 11 LEU CB C 13 41.042 . . 1 . . . A 11 LEU CB . 18379 1 120 . 1 1 11 11 LEU CD1 C 13 27.596 . . 1 . . . A 11 LEU CD1 . 18379 1 121 . 1 1 11 11 LEU CD2 C 13 24.712 . . 1 . . . A 11 LEU CD2 . 18379 1 122 . 1 1 11 11 LEU N N 15 123.651 . . 1 . . . A 11 LEU N . 18379 1 123 . 1 1 12 12 ILE H H 1 8.311 . . 1 . . . A 12 ILE H . 18379 1 124 . 1 1 12 12 ILE HA H 1 3.755 . . 1 . . . A 12 ILE HA . 18379 1 125 . 1 1 12 12 ILE HB H 1 1.940 . . 1 . . . A 12 ILE HB . 18379 1 126 . 1 1 12 12 ILE HD11 H 1 0.554 . . 1 . . . A 12 ILE HD11 . 18379 1 127 . 1 1 12 12 ILE HD12 H 1 0.554 . . 1 . . . A 12 ILE HD12 . 18379 1 128 . 1 1 12 12 ILE HD13 H 1 0.554 . . 1 . . . A 12 ILE HD13 . 18379 1 129 . 1 1 12 12 ILE C C 13 179.368 . . 1 . . . A 12 ILE C . 18379 1 130 . 1 1 12 12 ILE CA C 13 66.074 . . 1 . . . A 12 ILE CA . 18379 1 131 . 1 1 12 12 ILE CB C 13 36.703 . . 1 . . . A 12 ILE CB . 18379 1 132 . 1 1 12 12 ILE CG1 C 13 28.957 . . 1 . . . A 12 ILE CG1 . 18379 1 133 . 1 1 12 12 ILE CG2 C 13 15.492 . . 1 . . . A 12 ILE CG2 . 18379 1 134 . 1 1 12 12 ILE CD1 C 13 13.363 . . 1 . . . A 12 ILE CD1 . 18379 1 135 . 1 1 12 12 ILE N N 15 124.386 . . 1 . . . A 12 ILE N . 18379 1 136 . 1 1 13 13 ILE H H 1 8.551 . . 1 . . . A 13 ILE H . 18379 1 137 . 1 1 13 13 ILE HA H 1 3.795 . . 1 . . . A 13 ILE HA . 18379 1 138 . 1 1 13 13 ILE HB H 1 1.983 . . 1 . . . A 13 ILE HB . 18379 1 139 . 1 1 13 13 ILE HD11 H 1 0.805 . . 1 . . . A 13 ILE HD11 . 18379 1 140 . 1 1 13 13 ILE HD12 H 1 0.805 . . 1 . . . A 13 ILE HD12 . 18379 1 141 . 1 1 13 13 ILE HD13 H 1 0.805 . . 1 . . . A 13 ILE HD13 . 18379 1 142 . 1 1 13 13 ILE C C 13 179.701 . . 1 . . . A 13 ILE C . 18379 1 143 . 1 1 13 13 ILE CA C 13 64.449 . . 1 . . . A 13 ILE CA . 18379 1 144 . 1 1 13 13 ILE CB C 13 36.734 . . 1 . . . A 13 ILE CB . 18379 1 145 . 1 1 13 13 ILE CG1 C 13 28.452 . . 1 . . . A 13 ILE CG1 . 18379 1 146 . 1 1 13 13 ILE CG2 C 13 16.532 . . 1 . . . A 13 ILE CG2 . 18379 1 147 . 1 1 13 13 ILE CD1 C 13 12.482 . . 1 . . . A 13 ILE CD1 . 18379 1 148 . 1 1 13 13 ILE N N 15 122.710 . . 1 . . . A 13 ILE N . 18379 1 149 . 1 1 14 14 ASN H H 1 8.407 . . 1 . . . A 14 ASN H . 18379 1 150 . 1 1 14 14 ASN HA H 1 4.608 . . 1 . . . A 14 ASN HA . 18379 1 151 . 1 1 14 14 ASN HB2 H 1 2.785 . . 1 . . . A 14 ASN HB2 . 18379 1 152 . 1 1 14 14 ASN HB3 H 1 3.000 . . 1 . . . A 14 ASN HB3 . 18379 1 153 . 1 1 14 14 ASN C C 13 178.143 . . 1 . . . A 14 ASN C . 18379 1 154 . 1 1 14 14 ASN CA C 13 56.444 . . 1 . . . A 14 ASN CA . 18379 1 155 . 1 1 14 14 ASN CB C 13 37.827 . . 1 . . . A 14 ASN CB . 18379 1 156 . 1 1 14 14 ASN N N 15 119.428 . . 1 . . . A 14 ASN N . 18379 1 157 . 1 1 15 15 SER H H 1 8.647 . . 1 . . . A 15 SER H . 18379 1 158 . 1 1 15 15 SER C C 13 177.346 . . 1 . . . A 15 SER C . 18379 1 159 . 1 1 15 15 SER CA C 13 62.648 . . 1 . . . A 15 SER CA . 18379 1 160 . 1 1 15 15 SER CB C 13 62.786 . . 1 . . . A 15 SER CB . 18379 1 161 . 1 1 15 15 SER N N 15 116.754 . . 1 . . . A 15 SER N . 18379 1 162 . 1 1 16 16 GLY H H 1 8.374 . . 1 . . . A 16 GLY H . 18379 1 163 . 1 1 16 16 GLY C C 13 176.804 . . 1 . . . A 16 GLY C . 18379 1 164 . 1 1 16 16 GLY CA C 13 46.937 . . 1 . . . A 16 GLY CA . 18379 1 165 . 1 1 16 16 GLY N N 15 112.458 . . 1 . . . A 16 GLY N . 18379 1 166 . 1 1 17 17 GLN H H 1 8.440 . . 1 . . . A 17 GLN H . 18379 1 167 . 1 1 17 17 GLN HA H 1 4.290 . . 1 . . . A 17 GLN HA . 18379 1 168 . 1 1 17 17 GLN HB2 H 1 2.130 . . 1 . . . A 17 GLN HB2 . 18379 1 169 . 1 1 17 17 GLN HB3 H 1 2.300 . . 1 . . . A 17 GLN HB3 . 18379 1 170 . 1 1 17 17 GLN HG2 H 1 2.453 . . 1 . . . A 17 GLN HG2 . 18379 1 171 . 1 1 17 17 GLN HG3 H 1 2.510 . . 1 . . . A 17 GLN HG3 . 18379 1 172 . 1 1 17 17 GLN C C 13 178.519 . . 1 . . . A 17 GLN C . 18379 1 173 . 1 1 17 17 GLN CA C 13 58.073 . . 1 . . . A 17 GLN CA . 18379 1 174 . 1 1 17 17 GLN CB C 13 27.263 . . 1 . . . A 17 GLN CB . 18379 1 175 . 1 1 17 17 GLN CG C 13 33.665 . . 1 . . . A 17 GLN CG . 18379 1 176 . 1 1 17 17 GLN N N 15 123.751 . . 1 . . . A 17 GLN N . 18379 1 177 . 1 1 18 18 ALA H H 1 8.342 . . 1 . . . A 18 ALA H . 18379 1 178 . 1 1 18 18 ALA HA H 1 4.210 . . 1 . . . A 18 ALA HA . 18379 1 179 . 1 1 18 18 ALA C C 13 181.243 . . 1 . . . A 18 ALA C . 18379 1 180 . 1 1 18 18 ALA CA C 13 54.997 . . 1 . . . A 18 ALA CA . 18379 1 181 . 1 1 18 18 ALA CB C 13 18.294 . . 1 . . . A 18 ALA CB . 18379 1 182 . 1 1 18 18 ALA N N 15 120.889 . . 1 . . . A 18 ALA N . 18379 1 183 . 1 1 19 19 ARG H H 1 7.850 . . 1 . . . A 19 ARG H . 18379 1 184 . 1 1 19 19 ARG HA H 1 3.950 . . 1 . . . A 19 ARG HA . 18379 1 185 . 1 1 19 19 ARG HB2 H 1 2.060 . . 1 . . . A 19 ARG HB2 . 18379 1 186 . 1 1 19 19 ARG HB3 H 1 2.150 . . 1 . . . A 19 ARG HB3 . 18379 1 187 . 1 1 19 19 ARG HG2 H 1 1.655 . . 1 . . . A 19 ARG HG2 . 18379 1 188 . 1 1 19 19 ARG HG3 H 1 1.655 . . 1 . . . A 19 ARG HG3 . 18379 1 189 . 1 1 19 19 ARG HD2 H 1 3.216 . . 1 . . . A 19 ARG HD2 . 18379 1 190 . 1 1 19 19 ARG HD3 H 1 3.216 . . 1 . . . A 19 ARG HD3 . 18379 1 191 . 1 1 19 19 ARG C C 13 176.880 . . 1 . . . A 19 ARG C . 18379 1 192 . 1 1 19 19 ARG CA C 13 59.577 . . 1 . . . A 19 ARG CA . 18379 1 193 . 1 1 19 19 ARG CB C 13 29.783 . . 1 . . . A 19 ARG CB . 18379 1 194 . 1 1 19 19 ARG CG C 13 27.322 . . 1 . . . A 19 ARG CG . 18379 1 195 . 1 1 19 19 ARG CD C 13 44.203 . . 1 . . . A 19 ARG CD . 18379 1 196 . 1 1 19 19 ARG N N 15 119.885 . . 1 . . . A 19 ARG N . 18379 1 197 . 1 1 20 20 SER H H 1 8.577 . . 1 . . . A 20 SER H . 18379 1 198 . 1 1 20 20 SER HA H 1 4.330 . . 1 . . . A 20 SER HA . 18379 1 199 . 1 1 20 20 SER HB2 H 1 4.050 . . 1 . . . A 20 SER HB2 . 18379 1 200 . 1 1 20 20 SER HB3 H 1 4.050 . . 1 . . . A 20 SER HB3 . 18379 1 201 . 1 1 20 20 SER C C 13 178.308 . . 1 . . . A 20 SER C . 18379 1 202 . 1 1 20 20 SER CA C 13 61.830 . . 1 . . . A 20 SER CA . 18379 1 203 . 1 1 20 20 SER CB C 13 61.695 . . 1 . . . A 20 SER CB . 18379 1 204 . 1 1 20 20 SER N N 15 115.557 . . 1 . . . A 20 SER N . 18379 1 205 . 1 1 21 21 LEU H H 1 8.671 . . 1 . . . A 21 LEU H . 18379 1 206 . 1 1 21 21 LEU HA H 1 4.200 . . 1 . . . A 21 LEU HA . 18379 1 207 . 1 1 21 21 LEU HB2 H 1 1.800 . . 1 . . . A 21 LEU HB2 . 18379 1 208 . 1 1 21 21 LEU HB3 H 1 1.800 . . 1 . . . A 21 LEU HB3 . 18379 1 209 . 1 1 21 21 LEU HG H 1 1.690 . . 1 . . . A 21 LEU HG . 18379 1 210 . 1 1 21 21 LEU HD11 H 1 0.821 . . 1 . . . A 21 LEU HD11 . 18379 1 211 . 1 1 21 21 LEU HD12 H 1 0.821 . . 1 . . . A 21 LEU HD12 . 18379 1 212 . 1 1 21 21 LEU HD13 H 1 0.821 . . 1 . . . A 21 LEU HD13 . 18379 1 213 . 1 1 21 21 LEU HD21 H 1 0.916 . . 1 . . . A 21 LEU HD21 . 18379 1 214 . 1 1 21 21 LEU HD22 H 1 0.916 . . 1 . . . A 21 LEU HD22 . 18379 1 215 . 1 1 21 21 LEU HD23 H 1 0.916 . . 1 . . . A 21 LEU HD23 . 18379 1 216 . 1 1 21 21 LEU C C 13 177.973 . . 1 . . . A 21 LEU C . 18379 1 217 . 1 1 21 21 LEU CA C 13 57.335 . . 1 . . . A 21 LEU CA . 18379 1 218 . 1 1 21 21 LEU CB C 13 41.845 . . 1 . . . A 21 LEU CB . 18379 1 219 . 1 1 21 21 LEU CD1 C 13 25.190 . . 1 . . . A 21 LEU CD1 . 18379 1 220 . 1 1 21 21 LEU CD2 C 13 23.242 . . 1 . . . A 21 LEU CD2 . 18379 1 221 . 1 1 21 21 LEU N N 15 123.061 . . 1 . . . A 21 LEU N . 18379 1 222 . 1 1 22 22 ALA H H 1 7.451 . . 1 . . . A 22 ALA H . 18379 1 223 . 1 1 22 22 ALA HA H 1 4.450 . . 1 . . . A 22 ALA HA . 18379 1 224 . 1 1 22 22 ALA C C 13 179.285 . . 1 . . . A 22 ALA C . 18379 1 225 . 1 1 22 22 ALA CA C 13 54.438 . . 1 . . . A 22 ALA CA . 18379 1 226 . 1 1 22 22 ALA CB C 13 16.549 . . 1 . . . A 22 ALA CB . 18379 1 227 . 1 1 22 22 ALA N N 15 121.107 . . 1 . . . A 22 ALA N . 18379 1 228 . 1 1 23 23 TYR H H 1 8.218 . . 1 . . . A 23 TYR H . 18379 1 229 . 1 1 23 23 TYR HA H 1 4.255 . . 1 . . . A 23 TYR HA . 18379 1 230 . 1 1 23 23 TYR HB2 H 1 3.100 . . 1 . . . A 23 TYR HB2 . 18379 1 231 . 1 1 23 23 TYR HB3 H 1 3.020 . . 1 . . . A 23 TYR HB3 . 18379 1 232 . 1 1 23 23 TYR HD1 H 1 7.190 . . 1 . . . A 23 TYR HD1 . 18379 1 233 . 1 1 23 23 TYR HD2 H 1 7.190 . . 1 . . . A 23 TYR HD2 . 18379 1 234 . 1 1 23 23 TYR C C 13 179.456 . . 1 . . . A 23 TYR C . 18379 1 235 . 1 1 23 23 TYR CA C 13 62.045 . . 1 . . . A 23 TYR CA . 18379 1 236 . 1 1 23 23 TYR CB C 13 36.640 . . 1 . . . A 23 TYR CB . 18379 1 237 . 1 1 23 23 TYR CD1 C 13 132.619 . . 1 . . . A 23 TYR CD1 . 18379 1 238 . 1 1 23 23 TYR CD2 C 13 132.619 . . 1 . . . A 23 TYR CD2 . 18379 1 239 . 1 1 23 23 TYR CE1 C 13 119.604 . . 1 . . . A 23 TYR CE1 . 18379 1 240 . 1 1 23 23 TYR CE2 C 13 119.604 . . 1 . . . A 23 TYR CE2 . 18379 1 241 . 1 1 23 23 TYR N N 15 117.238 . . 1 . . . A 23 TYR N . 18379 1 242 . 1 1 24 24 ALA H H 1 8.398 . . 1 . . . A 24 ALA H . 18379 1 243 . 1 1 24 24 ALA HA H 1 4.170 . . 1 . . . A 24 ALA HA . 18379 1 244 . 1 1 24 24 ALA C C 13 180.409 . . 1 . . . A 24 ALA C . 18379 1 245 . 1 1 24 24 ALA CA C 13 54.757 . . 1 . . . A 24 ALA CA . 18379 1 246 . 1 1 24 24 ALA CB C 13 17.372 . . 1 . . . A 24 ALA CB . 18379 1 247 . 1 1 24 24 ALA N N 15 124.328 . . 1 . . . A 24 ALA N . 18379 1 248 . 1 1 25 25 ALA H H 1 8.499 . . 1 . . . A 25 ALA H . 18379 1 249 . 1 1 25 25 ALA HA H 1 4.025 . . 1 . . . A 25 ALA HA . 18379 1 250 . 1 1 25 25 ALA C C 13 179.467 . . 1 . . . A 25 ALA C . 18379 1 251 . 1 1 25 25 ALA CA C 13 54.594 . . 1 . . . A 25 ALA CA . 18379 1 252 . 1 1 25 25 ALA CB C 13 18.294 . . 1 . . . A 25 ALA CB . 18379 1 253 . 1 1 25 25 ALA N N 15 124.070 . . 1 . . . A 25 ALA N . 18379 1 254 . 1 1 26 26 LEU H H 1 7.874 . . 1 . . . A 26 LEU H . 18379 1 255 . 1 1 26 26 LEU HA H 1 3.900 . . 1 . . . A 26 LEU HA . 18379 1 256 . 1 1 26 26 LEU HG H 1 1.480 . . 1 . . . A 26 LEU HG . 18379 1 257 . 1 1 26 26 LEU HD11 H 1 0.904 . . 1 . . . A 26 LEU HD11 . 18379 1 258 . 1 1 26 26 LEU HD12 H 1 0.904 . . 1 . . . A 26 LEU HD12 . 18379 1 259 . 1 1 26 26 LEU HD13 H 1 0.904 . . 1 . . . A 26 LEU HD13 . 18379 1 260 . 1 1 26 26 LEU HD21 H 1 1.026 . . 1 . . . A 26 LEU HD21 . 18379 1 261 . 1 1 26 26 LEU HD22 H 1 1.026 . . 1 . . . A 26 LEU HD22 . 18379 1 262 . 1 1 26 26 LEU HD23 H 1 1.026 . . 1 . . . A 26 LEU HD23 . 18379 1 263 . 1 1 26 26 LEU C C 13 177.747 . . 1 . . . A 26 LEU C . 18379 1 264 . 1 1 26 26 LEU CA C 13 57.197 . . 1 . . . A 26 LEU CA . 18379 1 265 . 1 1 26 26 LEU CB C 13 39.672 . . 1 . . . A 26 LEU CB . 18379 1 266 . 1 1 26 26 LEU CG C 13 27.442 . . 1 . . . A 26 LEU CG . 18379 1 267 . 1 1 26 26 LEU CD1 C 13 23.534 . . 1 . . . A 26 LEU CD1 . 18379 1 268 . 1 1 26 26 LEU CD2 C 13 26.343 . . 1 . . . A 26 LEU CD2 . 18379 1 269 . 1 1 26 26 LEU N N 15 119.115 . . 1 . . . A 26 LEU N . 18379 1 270 . 1 1 27 27 LYS H H 1 7.721 . . 1 . . . A 27 LYS H . 18379 1 271 . 1 1 27 27 LYS HA H 1 3.752 . . 1 . . . A 27 LYS HA . 18379 1 272 . 1 1 27 27 LYS HB2 H 1 1.950 . . 1 . . . A 27 LYS HB2 . 18379 1 273 . 1 1 27 27 LYS HB3 H 1 1.950 . . 1 . . . A 27 LYS HB3 . 18379 1 274 . 1 1 27 27 LYS HG2 H 1 1.320 . . 1 . . . A 27 LYS HG2 . 18379 1 275 . 1 1 27 27 LYS HG3 H 1 1.540 . . 1 . . . A 27 LYS HG3 . 18379 1 276 . 1 1 27 27 LYS HD2 H 1 1.660 . . 1 . . . A 27 LYS HD2 . 18379 1 277 . 1 1 27 27 LYS HD3 H 1 1.660 . . 1 . . . A 27 LYS HD3 . 18379 1 278 . 1 1 27 27 LYS C C 13 179.308 . . 1 . . . A 27 LYS C . 18379 1 279 . 1 1 27 27 LYS CA C 13 59.752 . . 1 . . . A 27 LYS CA . 18379 1 280 . 1 1 27 27 LYS CB C 13 31.003 . . 1 . . . A 27 LYS CB . 18379 1 281 . 1 1 27 27 LYS CG C 13 25.322 . . 1 . . . A 27 LYS CG . 18379 1 282 . 1 1 27 27 LYS CD C 13 29.292 . . 1 . . . A 27 LYS CD . 18379 1 283 . 1 1 27 27 LYS N N 15 118.594 . . 1 . . . A 27 LYS N . 18379 1 284 . 1 1 28 28 GLN H H 1 7.599 . . 1 . . . A 28 GLN H . 18379 1 285 . 1 1 28 28 GLN HG2 H 1 2.490 . . 1 . . . A 28 GLN HG2 . 18379 1 286 . 1 1 28 28 GLN HG3 H 1 2.490 . . 1 . . . A 28 GLN HG3 . 18379 1 287 . 1 1 28 28 GLN C C 13 178.593 . . 1 . . . A 28 GLN C . 18379 1 288 . 1 1 28 28 GLN CA C 13 57.736 . . 1 . . . A 28 GLN CA . 18379 1 289 . 1 1 28 28 GLN CB C 13 26.381 . . 1 . . . A 28 GLN CB . 18379 1 290 . 1 1 28 28 GLN CG C 13 33.620 . . 1 . . . A 28 GLN CG . 18379 1 291 . 1 1 28 28 GLN N N 15 116.601 . . 1 . . . A 28 GLN N . 18379 1 292 . 1 1 29 29 ALA H H 1 8.165 . . 1 . . . A 29 ALA H . 18379 1 293 . 1 1 29 29 ALA HA H 1 2.938 . . 1 . . . A 29 ALA HA . 18379 1 294 . 1 1 29 29 ALA C C 13 180.056 . . 1 . . . A 29 ALA C . 18379 1 295 . 1 1 29 29 ALA CA C 13 54.245 . . 1 . . . A 29 ALA CA . 18379 1 296 . 1 1 29 29 ALA CB C 13 18.325 . . 1 . . . A 29 ALA CB . 18379 1 297 . 1 1 29 29 ALA N N 15 122.339 . . 1 . . . A 29 ALA N . 18379 1 298 . 1 1 30 30 LYS H H 1 8.055 . . 1 . . . A 30 LYS H . 18379 1 299 . 1 1 30 30 LYS HA H 1 3.475 . . 1 . . . A 30 LYS HA . 18379 1 300 . 1 1 30 30 LYS HB2 H 1 1.700 . . 1 . . . A 30 LYS HB2 . 18379 1 301 . 1 1 30 30 LYS HB3 H 1 1.700 . . 1 . . . A 30 LYS HB3 . 18379 1 302 . 1 1 30 30 LYS HG2 H 1 1.295 . . 1 . . . A 30 LYS HG2 . 18379 1 303 . 1 1 30 30 LYS HG3 H 1 1.295 . . 1 . . . A 30 LYS HG3 . 18379 1 304 . 1 1 30 30 LYS HD2 H 1 1.570 . . 1 . . . A 30 LYS HD2 . 18379 1 305 . 1 1 30 30 LYS HD3 H 1 1.470 . . 1 . . . A 30 LYS HD3 . 18379 1 306 . 1 1 30 30 LYS C C 13 177.674 . . 1 . . . A 30 LYS C . 18379 1 307 . 1 1 30 30 LYS CA C 13 59.306 . . 1 . . . A 30 LYS CA . 18379 1 308 . 1 1 30 30 LYS CB C 13 30.725 . . 1 . . . A 30 LYS CB . 18379 1 309 . 1 1 30 30 LYS CG C 13 24.622 . . 1 . . . A 30 LYS CG . 18379 1 310 . 1 1 30 30 LYS CD C 13 29.932 . . 1 . . . A 30 LYS CD . 18379 1 311 . 1 1 30 30 LYS CE C 13 41.252 . . 1 . . . A 30 LYS CE . 18379 1 312 . 1 1 30 30 LYS N N 15 117.179 . . 1 . . . A 30 LYS N . 18379 1 313 . 1 1 31 31 GLN H H 1 7.122 . . 1 . . . A 31 GLN H . 18379 1 314 . 1 1 31 31 GLN HA H 1 4.360 . . 1 . . . A 31 GLN HA . 18379 1 315 . 1 1 31 31 GLN HB2 H 1 2.160 . . 1 . . . A 31 GLN HB2 . 18379 1 316 . 1 1 31 31 GLN HB3 H 1 2.160 . . 1 . . . A 31 GLN HB3 . 18379 1 317 . 1 1 31 31 GLN HG2 H 1 2.430 . . 1 . . . A 31 GLN HG2 . 18379 1 318 . 1 1 31 31 GLN HG3 H 1 2.430 . . 1 . . . A 31 GLN HG3 . 18379 1 319 . 1 1 31 31 GLN C C 13 176.026 . . 1 . . . A 31 GLN C . 18379 1 320 . 1 1 31 31 GLN CA C 13 54.972 . . 1 . . . A 31 GLN CA . 18379 1 321 . 1 1 31 31 GLN CB C 13 28.044 . . 1 . . . A 31 GLN CB . 18379 1 322 . 1 1 31 31 GLN CG C 13 33.960 . . 1 . . . A 31 GLN CG . 18379 1 323 . 1 1 31 31 GLN N N 15 115.100 . . 1 . . . A 31 GLN N . 18379 1 324 . 1 1 32 32 GLY H H 1 7.506 . . 1 . . . A 32 GLY H . 18379 1 325 . 1 1 32 32 GLY C C 13 173.061 . . 1 . . . A 32 GLY C . 18379 1 326 . 1 1 32 32 GLY CA C 13 44.543 . . 1 . . . A 32 GLY CA . 18379 1 327 . 1 1 32 32 GLY N N 15 107.281 . . 1 . . . A 32 GLY N . 18379 1 328 . 1 1 33 33 ASP H H 1 7.729 . . 1 . . . A 33 ASP H . 18379 1 329 . 1 1 33 33 ASP HA H 1 4.987 . . 1 . . . A 33 ASP HA . 18379 1 330 . 1 1 33 33 ASP HB2 H 1 2.260 . . 1 . . . A 33 ASP HB2 . 18379 1 331 . 1 1 33 33 ASP HB3 H 1 2.260 . . 1 . . . A 33 ASP HB3 . 18379 1 332 . 1 1 33 33 ASP C C 13 175.810 . . 1 . . . A 33 ASP C . 18379 1 333 . 1 1 33 33 ASP CA C 13 51.035 . . 1 . . . A 33 ASP CA . 18379 1 334 . 1 1 33 33 ASP CB C 13 38.698 . . 1 . . . A 33 ASP CB . 18379 1 335 . 1 1 33 33 ASP N N 15 122.167 . . 1 . . . A 33 ASP N . 18379 1 336 . 1 1 34 34 PHE H H 1 7.714 . . 1 . . . A 34 PHE H . 18379 1 337 . 1 1 34 34 PHE HA H 1 3.990 . . 1 . . . A 34 PHE HA . 18379 1 338 . 1 1 34 34 PHE HB2 H 1 3.190 . . 1 . . . A 34 PHE HB2 . 18379 1 339 . 1 1 34 34 PHE HB3 H 1 3.190 . . 1 . . . A 34 PHE HB3 . 18379 1 340 . 1 1 34 34 PHE HD1 H 1 7.303 . . 1 . . . A 34 PHE HD1 . 18379 1 341 . 1 1 34 34 PHE HD2 H 1 7.276 . . 1 . . . A 34 PHE HD2 . 18379 1 342 . 1 1 34 34 PHE C C 13 178.012 . . 1 . . . A 34 PHE C . 18379 1 343 . 1 1 34 34 PHE CA C 13 61.523 . . 1 . . . A 34 PHE CA . 18379 1 344 . 1 1 34 34 PHE CB C 13 37.827 . . 1 . . . A 34 PHE CB . 18379 1 345 . 1 1 34 34 PHE CD1 C 13 131.138 . . 1 . . . A 34 PHE CD1 . 18379 1 346 . 1 1 34 34 PHE CD2 C 13 131.138 . . 1 . . . A 34 PHE CD2 . 18379 1 347 . 1 1 34 34 PHE CE1 C 13 131.495 . . 1 . . . A 34 PHE CE1 . 18379 1 348 . 1 1 34 34 PHE CE2 C 13 131.495 . . 1 . . . A 34 PHE CE2 . 18379 1 349 . 1 1 34 34 PHE N N 15 120.724 . . 1 . . . A 34 PHE N . 18379 1 350 . 1 1 35 35 ALA H H 1 8.453 . . 1 . . . A 35 ALA H . 18379 1 351 . 1 1 35 35 ALA HA H 1 4.265 . . 1 . . . A 35 ALA HA . 18379 1 352 . 1 1 35 35 ALA C C 13 180.938 . . 1 . . . A 35 ALA C . 18379 1 353 . 1 1 35 35 ALA CA C 13 54.777 . . 1 . . . A 35 ALA CA . 18379 1 354 . 1 1 35 35 ALA CB C 13 17.886 . . 1 . . . A 35 ALA CB . 18379 1 355 . 1 1 35 35 ALA N N 15 124.412 . . 1 . . . A 35 ALA N . 18379 1 356 . 1 1 36 36 ALA H H 1 8.047 . . 1 . . . A 36 ALA H . 18379 1 357 . 1 1 36 36 ALA HA H 1 4.160 . . 1 . . . A 36 ALA HA . 18379 1 358 . 1 1 36 36 ALA C C 13 180.379 . . 1 . . . A 36 ALA C . 18379 1 359 . 1 1 36 36 ALA CA C 13 54.032 . . 1 . . . A 36 ALA CA . 18379 1 360 . 1 1 36 36 ALA CB C 13 17.438 . . 1 . . . A 36 ALA CB . 18379 1 361 . 1 1 36 36 ALA N N 15 122.973 . . 1 . . . A 36 ALA N . 18379 1 362 . 1 1 37 37 ALA H H 1 7.735 . . 1 . . . A 37 ALA H . 18379 1 363 . 1 1 37 37 ALA HA H 1 4.010 . . 1 . . . A 37 ALA HA . 18379 1 364 . 1 1 37 37 ALA C C 13 179.224 . . 1 . . . A 37 ALA C . 18379 1 365 . 1 1 37 37 ALA CA C 13 54.921 . . 1 . . . A 37 ALA CA . 18379 1 366 . 1 1 37 37 ALA CB C 13 18.393 . . 1 . . . A 37 ALA CB . 18379 1 367 . 1 1 37 37 ALA N N 15 118.750 . . 1 . . . A 37 ALA N . 18379 1 368 . 1 1 38 38 LYS H H 1 8.041 . . 1 . . . A 38 LYS H . 18379 1 369 . 1 1 38 38 LYS HA H 1 3.963 . . 1 . . . A 38 LYS HA . 18379 1 370 . 1 1 38 38 LYS HB2 H 1 2.020 . . 1 . . . A 38 LYS HB2 . 18379 1 371 . 1 1 38 38 LYS HB3 H 1 2.020 . . 1 . . . A 38 LYS HB3 . 18379 1 372 . 1 1 38 38 LYS HG2 H 1 1.510 . . 1 . . . A 38 LYS HG2 . 18379 1 373 . 1 1 38 38 LYS HG3 H 1 1.660 . . 1 . . . A 38 LYS HG3 . 18379 1 374 . 1 1 38 38 LYS HD2 H 1 1.725 . . 1 . . . A 38 LYS HD2 . 18379 1 375 . 1 1 38 38 LYS HD3 H 1 1.725 . . 1 . . . A 38 LYS HD3 . 18379 1 376 . 1 1 38 38 LYS C C 13 178.960 . . 1 . . . A 38 LYS C . 18379 1 377 . 1 1 38 38 LYS CA C 13 59.345 . . 1 . . . A 38 LYS CA . 18379 1 378 . 1 1 38 38 LYS CB C 13 31.305 . . 1 . . . A 38 LYS CB . 18379 1 379 . 1 1 38 38 LYS CG C 13 25.632 . . 1 . . . A 38 LYS CG . 18379 1 380 . 1 1 38 38 LYS CD C 13 29.082 . . 1 . . . A 38 LYS CD . 18379 1 381 . 1 1 38 38 LYS N N 15 117.968 . . 1 . . . A 38 LYS N . 18379 1 382 . 1 1 39 39 ALA H H 1 7.658 . . 1 . . . A 39 ALA H . 18379 1 383 . 1 1 39 39 ALA HA H 1 4.270 . . 1 . . . A 39 ALA HA . 18379 1 384 . 1 1 39 39 ALA C C 13 181.347 . . 1 . . . A 39 ALA C . 18379 1 385 . 1 1 39 39 ALA CA C 13 54.766 . . 1 . . . A 39 ALA CA . 18379 1 386 . 1 1 39 39 ALA CB C 13 17.094 . . 1 . . . A 39 ALA CB . 18379 1 387 . 1 1 39 39 ALA N N 15 121.980 . . 1 . . . A 39 ALA N . 18379 1 388 . 1 1 40 40 MET H H 1 8.308 . . 1 . . . A 40 MET H . 18379 1 389 . 1 1 40 40 MET HA H 1 4.175 . . 1 . . . A 40 MET HA . 18379 1 390 . 1 1 40 40 MET HB2 H 1 2.035 . . 1 . . . A 40 MET HB2 . 18379 1 391 . 1 1 40 40 MET HB3 H 1 2.035 . . 1 . . . A 40 MET HB3 . 18379 1 392 . 1 1 40 40 MET HG2 H 1 2.150 . . 1 . . . A 40 MET HG2 . 18379 1 393 . 1 1 40 40 MET HG3 H 1 2.150 . . 1 . . . A 40 MET HG3 . 18379 1 394 . 1 1 40 40 MET C C 13 178.799 . . 1 . . . A 40 MET C . 18379 1 395 . 1 1 40 40 MET CA C 13 58.809 . . 1 . . . A 40 MET CA . 18379 1 396 . 1 1 40 40 MET CB C 13 32.638 . . 1 . . . A 40 MET CB . 18379 1 397 . 1 1 40 40 MET CG C 13 32.362 . . 1 . . . A 40 MET CG . 18379 1 398 . 1 1 40 40 MET N N 15 118.613 . . 1 . . . A 40 MET N . 18379 1 399 . 1 1 41 41 MET H H 1 8.422 . . 1 . . . A 41 MET H . 18379 1 400 . 1 1 41 41 MET HA H 1 4.485 . . 1 . . . A 41 MET HA . 18379 1 401 . 1 1 41 41 MET HB2 H 1 2.175 . . 1 . . . A 41 MET HB2 . 18379 1 402 . 1 1 41 41 MET HB3 H 1 2.175 . . 1 . . . A 41 MET HB3 . 18379 1 403 . 1 1 41 41 MET C C 13 180.001 . . 1 . . . A 41 MET C . 18379 1 404 . 1 1 41 41 MET CA C 13 56.084 . . 1 . . . A 41 MET CA . 18379 1 405 . 1 1 41 41 MET CB C 13 29.083 . . 1 . . . A 41 MET CB . 18379 1 406 . 1 1 41 41 MET N N 15 119.369 . . 1 . . . A 41 MET N . 18379 1 407 . 1 1 42 42 ASP H H 1 8.305 . . 1 . . . A 42 ASP H . 18379 1 408 . 1 1 42 42 ASP HA H 1 4.565 . . 1 . . . A 42 ASP HA . 18379 1 409 . 1 1 42 42 ASP HB2 H 1 2.717 . . 1 . . . A 42 ASP HB2 . 18379 1 410 . 1 1 42 42 ASP HB3 H 1 2.938 . . 1 . . . A 42 ASP HB3 . 18379 1 411 . 1 1 42 42 ASP C C 13 178.858 . . 1 . . . A 42 ASP C . 18379 1 412 . 1 1 42 42 ASP CA C 13 57.361 . . 1 . . . A 42 ASP CA . 18379 1 413 . 1 1 42 42 ASP CB C 13 39.572 . . 1 . . . A 42 ASP CB . 18379 1 414 . 1 1 42 42 ASP N N 15 123.269 . . 1 . . . A 42 ASP N . 18379 1 415 . 1 1 43 43 GLN H H 1 7.703 . . 1 . . . A 43 GLN H . 18379 1 416 . 1 1 43 43 GLN HA H 1 4.110 . . 1 . . . A 43 GLN HA . 18379 1 417 . 1 1 43 43 GLN HB2 H 1 2.125 . . 1 . . . A 43 GLN HB2 . 18379 1 418 . 1 1 43 43 GLN HB3 H 1 2.125 . . 1 . . . A 43 GLN HB3 . 18379 1 419 . 1 1 43 43 GLN HG2 H 1 2.420 . . 1 . . . A 43 GLN HG2 . 18379 1 420 . 1 1 43 43 GLN HG3 H 1 2.600 . . 1 . . . A 43 GLN HG3 . 18379 1 421 . 1 1 43 43 GLN C C 13 179.294 . . 1 . . . A 43 GLN C . 18379 1 422 . 1 1 43 43 GLN CA C 13 58.798 . . 1 . . . A 43 GLN CA . 18379 1 423 . 1 1 43 43 GLN CB C 13 27.855 . . 1 . . . A 43 GLN CB . 18379 1 424 . 1 1 43 43 GLN CG C 13 34.040 . . 1 . . . A 43 GLN CG . 18379 1 425 . 1 1 43 43 GLN N N 15 119.822 . . 1 . . . A 43 GLN N . 18379 1 426 . 1 1 44 44 SER H H 1 8.403 . . 1 . . . A 44 SER H . 18379 1 427 . 1 1 44 44 SER C C 13 175.967 . . 1 . . . A 44 SER C . 18379 1 428 . 1 1 44 44 SER CA C 13 61.574 . . 1 . . . A 44 SER CA . 18379 1 429 . 1 1 44 44 SER CB C 13 62.260 . . 1 . . . A 44 SER CB . 18379 1 430 . 1 1 44 44 SER N N 15 115.940 . . 1 . . . A 44 SER N . 18379 1 431 . 1 1 45 45 ARG H H 1 8.258 . . 1 . . . A 45 ARG H . 18379 1 432 . 1 1 45 45 ARG HA H 1 3.770 . . 1 . . . A 45 ARG HA . 18379 1 433 . 1 1 45 45 ARG HB2 H 1 1.893 . . 1 . . . A 45 ARG HB2 . 18379 1 434 . 1 1 45 45 ARG HB3 H 1 2.217 . . 1 . . . A 45 ARG HB3 . 18379 1 435 . 1 1 45 45 ARG HG2 H 1 1.540 . . 1 . . . A 45 ARG HG2 . 18379 1 436 . 1 1 45 45 ARG HG3 H 1 1.633 . . 1 . . . A 45 ARG HG3 . 18379 1 437 . 1 1 45 45 ARG HD2 H 1 3.178 . . 1 . . . A 45 ARG HD2 . 18379 1 438 . 1 1 45 45 ARG HD3 H 1 3.329 . . 1 . . . A 45 ARG HD3 . 18379 1 439 . 1 1 45 45 ARG C C 13 178.521 . . 1 . . . A 45 ARG C . 18379 1 440 . 1 1 45 45 ARG CA C 13 59.295 . . 1 . . . A 45 ARG CA . 18379 1 441 . 1 1 45 45 ARG CB C 13 29.375 . . 1 . . . A 45 ARG CB . 18379 1 442 . 1 1 45 45 ARG CG C 13 27.342 . . 1 . . . A 45 ARG CG . 18379 1 443 . 1 1 45 45 ARG CD C 13 43.356 . . 1 . . . A 45 ARG CD . 18379 1 444 . 1 1 45 45 ARG N N 15 119.356 . . 1 . . . A 45 ARG N . 18379 1 445 . 1 1 46 46 MET H H 1 8.018 . . 1 . . . A 46 MET H . 18379 1 446 . 1 1 46 46 MET HA H 1 4.180 . . 1 . . . A 46 MET HA . 18379 1 447 . 1 1 46 46 MET HB2 H 1 2.640 . . 1 . . . A 46 MET HB2 . 18379 1 448 . 1 1 46 46 MET HB3 H 1 2.780 . . 1 . . . A 46 MET HB3 . 18379 1 449 . 1 1 46 46 MET HG2 H 1 2.218 . . 1 . . . A 46 MET HG2 . 18379 1 450 . 1 1 46 46 MET HG3 H 1 2.218 . . 1 . . . A 46 MET HG3 . 18379 1 451 . 1 1 46 46 MET C C 13 178.568 . . 1 . . . A 46 MET C . 18379 1 452 . 1 1 46 46 MET CA C 13 58.533 . . 1 . . . A 46 MET CA . 18379 1 453 . 1 1 46 46 MET CB C 13 31.437 . . 1 . . . A 46 MET CB . 18379 1 454 . 1 1 46 46 MET CG C 13 32.362 . . 1 . . . A 46 MET CG . 18379 1 455 . 1 1 46 46 MET N N 15 118.042 . . 1 . . . A 46 MET N . 18379 1 456 . 1 1 47 47 ALA H H 1 7.829 . . 1 . . . A 47 ALA H . 18379 1 457 . 1 1 47 47 ALA HA H 1 4.330 . . 1 . . . A 47 ALA HA . 18379 1 458 . 1 1 47 47 ALA C C 13 180.132 . . 1 . . . A 47 ALA C . 18379 1 459 . 1 1 47 47 ALA CA C 13 54.697 . . 1 . . . A 47 ALA CA . 18379 1 460 . 1 1 47 47 ALA CB C 13 16.774 . . 1 . . . A 47 ALA CB . 18379 1 461 . 1 1 47 47 ALA N N 15 122.458 . . 1 . . . A 47 ALA N . 18379 1 462 . 1 1 48 48 LEU H H 1 8.086 . . 1 . . . A 48 LEU H . 18379 1 463 . 1 1 48 48 LEU HB2 H 1 1.665 . . 1 . . . A 48 LEU HB2 . 18379 1 464 . 1 1 48 48 LEU HB3 H 1 1.665 . . 1 . . . A 48 LEU HB3 . 18379 1 465 . 1 1 48 48 LEU HG H 1 1.729 . . 1 . . . A 48 LEU HG . 18379 1 466 . 1 1 48 48 LEU HD11 H 1 0.877 . . 1 . . . A 48 LEU HD11 . 18379 1 467 . 1 1 48 48 LEU HD12 H 1 0.877 . . 1 . . . A 48 LEU HD12 . 18379 1 468 . 1 1 48 48 LEU HD13 H 1 0.877 . . 1 . . . A 48 LEU HD13 . 18379 1 469 . 1 1 48 48 LEU HD21 H 1 0.940 . . 1 . . . A 48 LEU HD21 . 18379 1 470 . 1 1 48 48 LEU HD22 H 1 0.940 . . 1 . . . A 48 LEU HD22 . 18379 1 471 . 1 1 48 48 LEU HD23 H 1 0.940 . . 1 . . . A 48 LEU HD23 . 18379 1 472 . 1 1 48 48 LEU C C 13 178.727 . . 1 . . . A 48 LEU C . 18379 1 473 . 1 1 48 48 LEU CA C 13 56.761 . . 1 . . . A 48 LEU CA . 18379 1 474 . 1 1 48 48 LEU CB C 13 40.363 . . 1 . . . A 48 LEU CB . 18379 1 475 . 1 1 48 48 LEU CD1 C 13 24.762 . . 1 . . . A 48 LEU CD1 . 18379 1 476 . 1 1 48 48 LEU CD2 C 13 25.220 . . 1 . . . A 48 LEU CD2 . 18379 1 477 . 1 1 48 48 LEU N N 15 118.471 . . 1 . . . A 48 LEU N . 18379 1 478 . 1 1 49 49 ASN H H 1 8.679 . . 1 . . . A 49 ASN H . 18379 1 479 . 1 1 49 49 ASN HA H 1 4.580 . . 1 . . . A 49 ASN HA . 18379 1 480 . 1 1 49 49 ASN HB2 H 1 3.000 . . 1 . . . A 49 ASN HB2 . 18379 1 481 . 1 1 49 49 ASN HB3 H 1 3.000 . . 1 . . . A 49 ASN HB3 . 18379 1 482 . 1 1 49 49 ASN C C 13 178.024 . . 1 . . . A 49 ASN C . 18379 1 483 . 1 1 49 49 ASN CA C 13 55.653 . . 1 . . . A 49 ASN CA . 18379 1 484 . 1 1 49 49 ASN CB C 13 38.085 . . 1 . . . A 49 ASN CB . 18379 1 485 . 1 1 49 49 ASN N N 15 119.842 . . 1 . . . A 49 ASN N . 18379 1 486 . 1 1 50 50 GLU H H 1 8.004 . . 1 . . . A 50 GLU H . 18379 1 487 . 1 1 50 50 GLU HB2 H 1 2.170 . . 1 . . . A 50 GLU HB2 . 18379 1 488 . 1 1 50 50 GLU HB3 H 1 2.170 . . 1 . . . A 50 GLU HB3 . 18379 1 489 . 1 1 50 50 GLU HG2 H 1 2.360 . . 1 . . . A 50 GLU HG2 . 18379 1 490 . 1 1 50 50 GLU HG3 H 1 2.360 . . 1 . . . A 50 GLU HG3 . 18379 1 491 . 1 1 50 50 GLU C C 13 179.193 . . 1 . . . A 50 GLU C . 18379 1 492 . 1 1 50 50 GLU CA C 13 58.986 . . 1 . . . A 50 GLU CA . 18379 1 493 . 1 1 50 50 GLU CB C 13 28.275 . . 1 . . . A 50 GLU CB . 18379 1 494 . 1 1 50 50 GLU CG C 13 35.880 . . 1 . . . A 50 GLU CG . 18379 1 495 . 1 1 50 50 GLU N N 15 120.121 . . 1 . . . A 50 GLU N . 18379 1 496 . 1 1 51 51 ALA H H 1 7.836 . . 1 . . . A 51 ALA H . 18379 1 497 . 1 1 51 51 ALA HA H 1 4.170 . . 1 . . . A 51 ALA HA . 18379 1 498 . 1 1 51 51 ALA C C 13 178.858 . . 1 . . . A 51 ALA C . 18379 1 499 . 1 1 51 51 ALA CA C 13 54.625 . . 1 . . . A 51 ALA CA . 18379 1 500 . 1 1 51 51 ALA CB C 13 17.662 . . 1 . . . A 51 ALA CB . 18379 1 501 . 1 1 51 51 ALA N N 15 121.711 . . 1 . . . A 51 ALA N . 18379 1 502 . 1 1 52 52 HIS H H 1 8.613 . . 1 . . . A 52 HIS H . 18379 1 503 . 1 1 52 52 HIS HA H 1 4.225 . . 1 . . . A 52 HIS HA . 18379 1 504 . 1 1 52 52 HIS HB2 H 1 3.300 . . 1 . . . A 52 HIS HB2 . 18379 1 505 . 1 1 52 52 HIS HB3 H 1 3.300 . . 1 . . . A 52 HIS HB3 . 18379 1 506 . 1 1 52 52 HIS C C 13 178.321 . . 1 . . . A 52 HIS C . 18379 1 507 . 1 1 52 52 HIS CA C 13 59.830 . . 1 . . . A 52 HIS CA . 18379 1 508 . 1 1 52 52 HIS CB C 13 29.394 . . 1 . . . A 52 HIS CB . 18379 1 509 . 1 1 52 52 HIS N N 15 117.458 . . 1 . . . A 52 HIS N . 18379 1 510 . 1 1 53 53 LEU H H 1 8.049 . . 1 . . . A 53 LEU H . 18379 1 511 . 1 1 53 53 LEU HA H 1 4.140 . . 1 . . . A 53 LEU HA . 18379 1 512 . 1 1 53 53 LEU HB2 H 1 1.940 . . 1 . . . A 53 LEU HB2 . 18379 1 513 . 1 1 53 53 LEU HB3 H 1 1.940 . . 1 . . . A 53 LEU HB3 . 18379 1 514 . 1 1 53 53 LEU HG H 1 1.795 . . 1 . . . A 53 LEU HG . 18379 1 515 . 1 1 53 53 LEU HD11 H 1 0.924 . . 1 . . . A 53 LEU HD11 . 18379 1 516 . 1 1 53 53 LEU HD12 H 1 0.924 . . 1 . . . A 53 LEU HD12 . 18379 1 517 . 1 1 53 53 LEU HD13 H 1 0.924 . . 1 . . . A 53 LEU HD13 . 18379 1 518 . 1 1 53 53 LEU HD21 H 1 0.924 . . 1 . . . A 53 LEU HD21 . 18379 1 519 . 1 1 53 53 LEU HD22 H 1 0.924 . . 1 . . . A 53 LEU HD22 . 18379 1 520 . 1 1 53 53 LEU HD23 H 1 0.924 . . 1 . . . A 53 LEU HD23 . 18379 1 521 . 1 1 53 53 LEU C C 13 179.985 . . 1 . . . A 53 LEU C . 18379 1 522 . 1 1 53 53 LEU CA C 13 57.758 . . 1 . . . A 53 LEU CA . 18379 1 523 . 1 1 53 53 LEU CB C 13 40.725 . . 1 . . . A 53 LEU CB . 18379 1 524 . 1 1 53 53 LEU CG C 13 26.872 . . 1 . . . A 53 LEU CG . 18379 1 525 . 1 1 53 53 LEU CD1 C 13 23.686 . . 1 . . . A 53 LEU CD1 . 18379 1 526 . 1 1 53 53 LEU CD2 C 13 24.881 . . 1 . . . A 53 LEU CD2 . 18379 1 527 . 1 1 53 53 LEU N N 15 121.096 . . 1 . . . A 53 LEU N . 18379 1 528 . 1 1 54 54 VAL H H 1 7.623 . . 1 . . . A 54 VAL H . 18379 1 529 . 1 1 54 54 VAL HA H 1 3.670 . . 1 . . . A 54 VAL HA . 18379 1 530 . 1 1 54 54 VAL HB H 1 2.243 . . 1 . . . A 54 VAL HB . 18379 1 531 . 1 1 54 54 VAL HG11 H 1 0.919 . . 1 . . . A 54 VAL HG11 . 18379 1 532 . 1 1 54 54 VAL HG12 H 1 0.919 . . 1 . . . A 54 VAL HG12 . 18379 1 533 . 1 1 54 54 VAL HG13 H 1 0.919 . . 1 . . . A 54 VAL HG13 . 18379 1 534 . 1 1 54 54 VAL HG21 H 1 1.088 . . 1 . . . A 54 VAL HG21 . 18379 1 535 . 1 1 54 54 VAL HG22 H 1 1.088 . . 1 . . . A 54 VAL HG22 . 18379 1 536 . 1 1 54 54 VAL HG23 H 1 1.088 . . 1 . . . A 54 VAL HG23 . 18379 1 537 . 1 1 54 54 VAL C C 13 177.866 . . 1 . . . A 54 VAL C . 18379 1 538 . 1 1 54 54 VAL CA C 13 65.859 . . 1 . . . A 54 VAL CA . 18379 1 539 . 1 1 54 54 VAL CB C 13 30.811 . . 1 . . . A 54 VAL CB . 18379 1 540 . 1 1 54 54 VAL CG1 C 13 22.580 . . 1 . . . A 54 VAL CG1 . 18379 1 541 . 1 1 54 54 VAL CG2 C 13 22.483 . . 1 . . . A 54 VAL CG2 . 18379 1 542 . 1 1 54 54 VAL N N 15 119.475 . . 1 . . . A 54 VAL N . 18379 1 543 . 1 1 55 55 GLN H H 1 8.099 . . 1 . . . A 55 GLN H . 18379 1 544 . 1 1 55 55 GLN HA H 1 3.843 . . 1 . . . A 55 GLN HA . 18379 1 545 . 1 1 55 55 GLN HB2 H 1 2.070 . . 1 . . . A 55 GLN HB2 . 18379 1 546 . 1 1 55 55 GLN HB3 H 1 2.070 . . 1 . . . A 55 GLN HB3 . 18379 1 547 . 1 1 55 55 GLN HG2 H 1 2.320 . . 1 . . . A 55 GLN HG2 . 18379 1 548 . 1 1 55 55 GLN HG3 H 1 2.170 . . 1 . . . A 55 GLN HG3 . 18379 1 549 . 1 1 55 55 GLN C C 13 177.664 . . 1 . . . A 55 GLN C . 18379 1 550 . 1 1 55 55 GLN CA C 13 59.380 . . 1 . . . A 55 GLN CA . 18379 1 551 . 1 1 55 55 GLN CB C 13 27.748 . . 1 . . . A 55 GLN CB . 18379 1 552 . 1 1 55 55 GLN CG C 13 33.875 . . 1 . . . A 55 GLN CG . 18379 1 553 . 1 1 55 55 GLN N N 15 119.797 . . 1 . . . A 55 GLN N . 18379 1 554 . 1 1 56 56 THR H H 1 8.115 . . 1 . . . A 56 THR H . 18379 1 555 . 1 1 56 56 THR HA H 1 3.890 . . 1 . . . A 56 THR HA . 18379 1 556 . 1 1 56 56 THR HB H 1 4.237 . . 1 . . . A 56 THR HB . 18379 1 557 . 1 1 56 56 THR C C 13 175.810 . . 1 . . . A 56 THR C . 18379 1 558 . 1 1 56 56 THR CA C 13 65.877 . . 1 . . . A 56 THR CA . 18379 1 559 . 1 1 56 56 THR CB C 13 68.327 . . 1 . . . A 56 THR CB . 18379 1 560 . 1 1 56 56 THR CG2 C 13 21.802 . . 1 . . . A 56 THR CG2 . 18379 1 561 . 1 1 56 56 THR N N 15 112.938 . . 1 . . . A 56 THR N . 18379 1 562 . 1 1 57 57 LYS H H 1 7.532 . . 1 . . . A 57 LYS H . 18379 1 563 . 1 1 57 57 LYS HA H 1 4.157 . . 1 . . . A 57 LYS HA . 18379 1 564 . 1 1 57 57 LYS HB2 H 1 1.980 . . 1 . . . A 57 LYS HB2 . 18379 1 565 . 1 1 57 57 LYS HB3 H 1 1.980 . . 1 . . . A 57 LYS HB3 . 18379 1 566 . 1 1 57 57 LYS HG2 H 1 1.490 . . 1 . . . A 57 LYS HG2 . 18379 1 567 . 1 1 57 57 LYS HG3 H 1 1.490 . . 1 . . . A 57 LYS HG3 . 18379 1 568 . 1 1 57 57 LYS HD2 H 1 1.680 . . 1 . . . A 57 LYS HD2 . 18379 1 569 . 1 1 57 57 LYS HD3 H 1 1.680 . . 1 . . . A 57 LYS HD3 . 18379 1 570 . 1 1 57 57 LYS C C 13 178.898 . . 1 . . . A 57 LYS C . 18379 1 571 . 1 1 57 57 LYS CA C 13 58.090 . . 1 . . . A 57 LYS CA . 18379 1 572 . 1 1 57 57 LYS CB C 13 31.091 . . 1 . . . A 57 LYS CB . 18379 1 573 . 1 1 57 57 LYS CG C 13 25.072 . . 1 . . . A 57 LYS CG . 18379 1 574 . 1 1 57 57 LYS CD C 13 29.062 . . 1 . . . A 57 LYS CD . 18379 1 575 . 1 1 57 57 LYS CE C 13 42.210 . . 1 . . . A 57 LYS CE . 18379 1 576 . 1 1 57 57 LYS N N 15 120.782 . . 1 . . . A 57 LYS N . 18379 1 577 . 1 1 58 58 LEU H H 1 7.902 . . 1 . . . A 58 LEU H . 18379 1 578 . 1 1 58 58 LEU HA H 1 4.173 . . 1 . . . A 58 LEU HA . 18379 1 579 . 1 1 58 58 LEU HB2 H 1 1.475 . . 1 . . . A 58 LEU HB2 . 18379 1 580 . 1 1 58 58 LEU HB3 H 1 1.475 . . 1 . . . A 58 LEU HB3 . 18379 1 581 . 1 1 58 58 LEU HG H 1 1.830 . . 1 . . . A 58 LEU HG . 18379 1 582 . 1 1 58 58 LEU HD11 H 1 0.806 . . 1 . . . A 58 LEU HD11 . 18379 1 583 . 1 1 58 58 LEU HD12 H 1 0.806 . . 1 . . . A 58 LEU HD12 . 18379 1 584 . 1 1 58 58 LEU HD13 H 1 0.806 . . 1 . . . A 58 LEU HD13 . 18379 1 585 . 1 1 58 58 LEU HD21 H 1 0.777 . . 1 . . . A 58 LEU HD21 . 18379 1 586 . 1 1 58 58 LEU HD22 H 1 0.777 . . 1 . . . A 58 LEU HD22 . 18379 1 587 . 1 1 58 58 LEU HD23 H 1 0.777 . . 1 . . . A 58 LEU HD23 . 18379 1 588 . 1 1 58 58 LEU C C 13 178.391 . . 1 . . . A 58 LEU C . 18379 1 589 . 1 1 58 58 LEU CA C 13 56.571 . . 1 . . . A 58 LEU CA . 18379 1 590 . 1 1 58 58 LEU CB C 13 41.351 . . 1 . . . A 58 LEU CB . 18379 1 591 . 1 1 58 58 LEU CG C 13 26.602 . . 1 . . . A 58 LEU CG . 18379 1 592 . 1 1 58 58 LEU CD1 C 13 23.361 . . 1 . . . A 58 LEU CD1 . 18379 1 593 . 1 1 58 58 LEU CD2 C 13 23.366 . . 1 . . . A 58 LEU CD2 . 18379 1 594 . 1 1 58 58 LEU N N 15 119.218 . . 1 . . . A 58 LEU N . 18379 1 595 . 1 1 59 59 ILE H H 1 7.775 . . 1 . . . A 59 ILE H . 18379 1 596 . 1 1 59 59 ILE HA H 1 4.000 . . 1 . . . A 59 ILE HA . 18379 1 597 . 1 1 59 59 ILE HB H 1 1.986 . . 1 . . . A 59 ILE HB . 18379 1 598 . 1 1 59 59 ILE HD11 H 1 0.829 . . 1 . . . A 59 ILE HD11 . 18379 1 599 . 1 1 59 59 ILE HD12 H 1 0.829 . . 1 . . . A 59 ILE HD12 . 18379 1 600 . 1 1 59 59 ILE HD13 H 1 0.829 . . 1 . . . A 59 ILE HD13 . 18379 1 601 . 1 1 59 59 ILE C C 13 177.018 . . 1 . . . A 59 ILE C . 18379 1 602 . 1 1 59 59 ILE CA C 13 62.797 . . 1 . . . A 59 ILE CA . 18379 1 603 . 1 1 59 59 ILE CB C 13 37.761 . . 1 . . . A 59 ILE CB . 18379 1 604 . 1 1 59 59 ILE CG1 C 13 28.372 . . 1 . . . A 59 ILE CG1 . 18379 1 605 . 1 1 59 59 ILE CG2 C 13 17.472 . . 1 . . . A 59 ILE CG2 . 18379 1 606 . 1 1 59 59 ILE CD1 C 13 13.504 . . 1 . . . A 59 ILE CD1 . 18379 1 607 . 1 1 59 59 ILE N N 15 117.043 . . 1 . . . A 59 ILE N . 18379 1 608 . 1 1 60 60 GLU H H 1 8.009 . . 1 . . . A 60 GLU H . 18379 1 609 . 1 1 60 60 GLU HA H 1 4.212 . . 1 . . . A 60 GLU HA . 18379 1 610 . 1 1 60 60 GLU HB2 H 1 2.070 . . 1 . . . A 60 GLU HB2 . 18379 1 611 . 1 1 60 60 GLU HB3 H 1 2.070 . . 1 . . . A 60 GLU HB3 . 18379 1 612 . 1 1 60 60 GLU HG2 H 1 2.275 . . 1 . . . A 60 GLU HG2 . 18379 1 613 . 1 1 60 60 GLU HG3 H 1 2.410 . . 1 . . . A 60 GLU HG3 . 18379 1 614 . 1 1 60 60 GLU C C 13 177.674 . . 1 . . . A 60 GLU C . 18379 1 615 . 1 1 60 60 GLU CA C 13 57.205 . . 1 . . . A 60 GLU CA . 18379 1 616 . 1 1 60 60 GLU CB C 13 29.263 . . 1 . . . A 60 GLU CB . 18379 1 617 . 1 1 60 60 GLU CG C 13 36.670 . . 1 . . . A 60 GLU CG . 18379 1 618 . 1 1 60 60 GLU N N 15 120.016 . . 1 . . . A 60 GLU N . 18379 1 619 . 1 1 61 61 GLY H H 1 7.872 . . 1 . . . A 61 GLY H . 18379 1 620 . 1 1 61 61 GLY C C 13 173.924 . . 1 . . . A 61 GLY C . 18379 1 621 . 1 1 61 61 GLY CA C 13 45.212 . . 1 . . . A 61 GLY CA . 18379 1 622 . 1 1 61 61 GLY N N 15 107.074 . . 1 . . . A 61 GLY N . 18379 1 623 . 1 1 62 62 ASP H H 1 8.061 . . 1 . . . A 62 ASP H . 18379 1 624 . 1 1 62 62 ASP HA H 1 4.652 . . 1 . . . A 62 ASP HA . 18379 1 625 . 1 1 62 62 ASP HB2 H 1 2.640 . . 1 . . . A 62 ASP HB2 . 18379 1 626 . 1 1 62 62 ASP HB3 H 1 2.735 . . 1 . . . A 62 ASP HB3 . 18379 1 627 . 1 1 62 62 ASP C C 13 179.962 . . 1 . . . A 62 ASP C . 18379 1 628 . 1 1 62 62 ASP CA C 13 54.102 . . 1 . . . A 62 ASP CA . 18379 1 629 . 1 1 62 62 ASP CB C 13 41.219 . . 1 . . . A 62 ASP CB . 18379 1 630 . 1 1 62 62 ASP N N 15 120.773 . . 1 . . . A 62 ASP N . 18379 1 631 . 1 1 63 63 ALA H H 1 8.307 . . 1 . . . A 63 ALA H . 18379 1 632 . 1 1 63 63 ALA HA H 1 4.345 . . 1 . . . A 63 ALA HA . 18379 1 633 . 1 1 63 63 ALA C C 13 178.264 . . 1 . . . A 63 ALA C . 18379 1 634 . 1 1 63 63 ALA CA C 13 52.480 . . 1 . . . A 63 ALA CA . 18379 1 635 . 1 1 63 63 ALA CB C 13 18.393 . . 1 . . . A 63 ALA CB . 18379 1 636 . 1 1 63 63 ALA N N 15 124.154 . . 1 . . . A 63 ALA N . 18379 1 637 . 1 1 64 64 GLY H H 1 8.370 . . 1 . . . A 64 GLY H . 18379 1 638 . 1 1 64 64 GLY C C 13 174.312 . . 1 . . . A 64 GLY C . 18379 1 639 . 1 1 64 64 GLY CA C 13 45.144 . . 1 . . . A 64 GLY CA . 18379 1 640 . 1 1 64 64 GLY N N 15 107.534 . . 1 . . . A 64 GLY N . 18379 1 641 . 1 1 65 65 GLU H H 1 8.333 . . 1 . . . A 65 GLU H . 18379 1 642 . 1 1 65 65 GLU HA H 1 4.333 . . 1 . . . A 65 GLU HA . 18379 1 643 . 1 1 65 65 GLU HB2 H 1 1.993 . . 1 . . . A 65 GLU HB2 . 18379 1 644 . 1 1 65 65 GLU HB3 H 1 2.120 . . 1 . . . A 65 GLU HB3 . 18379 1 645 . 1 1 65 65 GLU HG2 H 1 2.280 . . 1 . . . A 65 GLU HG2 . 18379 1 646 . 1 1 65 65 GLU HG3 H 1 2.280 . . 1 . . . A 65 GLU HG3 . 18379 1 647 . 1 1 65 65 GLU C C 13 177.194 . . 1 . . . A 65 GLU C . 18379 1 648 . 1 1 65 65 GLU CA C 13 56.442 . . 1 . . . A 65 GLU CA . 18379 1 649 . 1 1 65 65 GLU CB C 13 29.559 . . 1 . . . A 65 GLU CB . 18379 1 650 . 1 1 65 65 GLU N N 15 120.426 . . 1 . . . A 65 GLU N . 18379 1 651 . 1 1 66 66 GLY H H 1 8.513 . . 1 . . . A 66 GLY H . 18379 1 652 . 1 1 66 66 GLY C C 13 174.261 . . 1 . . . A 66 GLY C . 18379 1 653 . 1 1 66 66 GLY CA C 13 45.205 . . 1 . . . A 66 GLY CA . 18379 1 654 . 1 1 66 66 GLY N N 15 109.639 . . 1 . . . A 66 GLY N . 18379 1 655 . 1 1 67 67 LYS H H 1 8.132 . . 1 . . . A 67 LYS H . 18379 1 656 . 1 1 67 67 LYS HA H 1 4.315 . . 1 . . . A 67 LYS HA . 18379 1 657 . 1 1 67 67 LYS HB2 H 1 1.770 . . 1 . . . A 67 LYS HB2 . 18379 1 658 . 1 1 67 67 LYS HB3 H 1 1.770 . . 1 . . . A 67 LYS HB3 . 18379 1 659 . 1 1 67 67 LYS HG2 H 1 1.390 . . 1 . . . A 67 LYS HG2 . 18379 1 660 . 1 1 67 67 LYS HG3 H 1 1.430 . . 1 . . . A 67 LYS HG3 . 18379 1 661 . 1 1 67 67 LYS HD2 H 1 1.673 . . 1 . . . A 67 LYS HD2 . 18379 1 662 . 1 1 67 67 LYS HD3 H 1 1.673 . . 1 . . . A 67 LYS HD3 . 18379 1 663 . 1 1 67 67 LYS C C 13 176.633 . . 1 . . . A 67 LYS C . 18379 1 664 . 1 1 67 67 LYS CA C 13 56.286 . . 1 . . . A 67 LYS CA . 18379 1 665 . 1 1 67 67 LYS CB C 13 32.194 . . 1 . . . A 67 LYS CB . 18379 1 666 . 1 1 67 67 LYS CG C 13 24.932 . . 1 . . . A 67 LYS CG . 18379 1 667 . 1 1 67 67 LYS CD C 13 29.037 . . 1 . . . A 67 LYS CD . 18379 1 668 . 1 1 67 67 LYS CE C 13 42.200 . . 1 . . . A 67 LYS CE . 18379 1 669 . 1 1 67 67 LYS N N 15 120.276 . . 1 . . . A 67 LYS N . 18379 1 670 . 1 1 68 68 MET H H 1 8.427 . . 1 . . . A 68 MET H . 18379 1 671 . 1 1 68 68 MET HA H 1 4.407 . . 1 . . . A 68 MET HA . 18379 1 672 . 1 1 68 68 MET HB2 H 1 2.030 . . 1 . . . A 68 MET HB2 . 18379 1 673 . 1 1 68 68 MET HB3 H 1 2.030 . . 1 . . . A 68 MET HB3 . 18379 1 674 . 1 1 68 68 MET HG2 H 1 2.483 . . 1 . . . A 68 MET HG2 . 18379 1 675 . 1 1 68 68 MET HG3 H 1 2.540 . . 1 . . . A 68 MET HG3 . 18379 1 676 . 1 1 68 68 MET C C 13 175.546 . . 1 . . . A 68 MET C . 18379 1 677 . 1 1 68 68 MET CA C 13 55.851 . . 1 . . . A 68 MET CA . 18379 1 678 . 1 1 68 68 MET CB C 13 33.164 . . 1 . . . A 68 MET CB . 18379 1 679 . 1 1 68 68 MET CG C 13 32.212 . . 1 . . . A 68 MET CG . 18379 1 680 . 1 1 68 68 MET N N 15 119.453 . . 1 . . . A 68 MET N . 18379 1 681 . 1 1 69 69 LYS H H 1 8.274 . . 1 . . . A 69 LYS H . 18379 1 682 . 1 1 69 69 LYS HA H 1 4.355 . . 1 . . . A 69 LYS HA . 18379 1 683 . 1 1 69 69 LYS HB2 H 1 1.810 . . 1 . . . A 69 LYS HB2 . 18379 1 684 . 1 1 69 69 LYS HB3 H 1 1.810 . . 1 . . . A 69 LYS HB3 . 18379 1 685 . 1 1 69 69 LYS HG2 H 1 1.333 . . 1 . . . A 69 LYS HG2 . 18379 1 686 . 1 1 69 69 LYS HG3 H 1 1.333 . . 1 . . . A 69 LYS HG3 . 18379 1 687 . 1 1 69 69 LYS HD2 H 1 1.640 . . 1 . . . A 69 LYS HD2 . 18379 1 688 . 1 1 69 69 LYS HD3 H 1 1.640 . . 1 . . . A 69 LYS HD3 . 18379 1 689 . 1 1 69 69 LYS C C 13 175.780 . . 1 . . . A 69 LYS C . 18379 1 690 . 1 1 69 69 LYS CA C 13 56.273 . . 1 . . . A 69 LYS CA . 18379 1 691 . 1 1 69 69 LYS CB C 13 32.628 . . 1 . . . A 69 LYS CB . 18379 1 692 . 1 1 69 69 LYS CG C 13 24.962 . . 1 . . . A 69 LYS CG . 18379 1 693 . 1 1 69 69 LYS CD C 13 29.119 . . 1 . . . A 69 LYS CD . 18379 1 694 . 1 1 69 69 LYS CE C 13 42.030 . . 1 . . . A 69 LYS CE . 18379 1 695 . 1 1 69 69 LYS N N 15 121.534 . . 1 . . . A 69 LYS N . 18379 1 696 . 1 1 70 70 VAL H H 1 7.951 . . 1 . . . A 70 VAL H . 18379 1 697 . 1 1 70 70 VAL HA H 1 4.045 . . 1 . . . A 70 VAL HA . 18379 1 698 . 1 1 70 70 VAL HB H 1 1.850 . . 1 . . . A 70 VAL HB . 18379 1 699 . 1 1 70 70 VAL HG11 H 1 0.911 . . 1 . . . A 70 VAL HG11 . 18379 1 700 . 1 1 70 70 VAL HG12 H 1 0.911 . . 1 . . . A 70 VAL HG12 . 18379 1 701 . 1 1 70 70 VAL HG13 H 1 0.911 . . 1 . . . A 70 VAL HG13 . 18379 1 702 . 1 1 70 70 VAL HG21 H 1 0.961 . . 1 . . . A 70 VAL HG21 . 18379 1 703 . 1 1 70 70 VAL HG22 H 1 0.961 . . 1 . . . A 70 VAL HG22 . 18379 1 704 . 1 1 70 70 VAL HG23 H 1 0.961 . . 1 . . . A 70 VAL HG23 . 18379 1 705 . 1 1 70 70 VAL C C 13 174.318 . . 1 . . . A 70 VAL C . 18379 1 706 . 1 1 70 70 VAL CA C 13 62.297 . . 1 . . . A 70 VAL CA . 18379 1 707 . 1 1 70 70 VAL CB C 13 32.046 . . 1 . . . A 70 VAL CB . 18379 1 708 . 1 1 70 70 VAL CG1 C 13 21.283 . . 1 . . . A 70 VAL CG1 . 18379 1 709 . 1 1 70 70 VAL CG2 C 13 21.628 . . 1 . . . A 70 VAL CG2 . 18379 1 710 . 1 1 70 70 VAL N N 15 118.383 . . 1 . . . A 70 VAL N . 18379 1 711 . 1 1 71 71 SER H H 1 7.397 . . 1 . . . A 71 SER H . 18379 1 712 . 1 1 71 71 SER C C 13 174.410 . . 1 . . . A 71 SER C . 18379 1 713 . 1 1 71 71 SER CA C 13 57.520 . . 1 . . . A 71 SER CA . 18379 1 714 . 1 1 71 71 SER CB C 13 66.160 . . 1 . . . A 71 SER CB . 18379 1 715 . 1 1 71 71 SER N N 15 116.614 . . 1 . . . A 71 SER N . 18379 1 716 . 1 1 72 72 LEU H H 1 8.655 . . 1 . . . A 72 LEU H . 18379 1 717 . 1 1 72 72 LEU HA H 1 4.030 . . 1 . . . A 72 LEU HA . 18379 1 718 . 1 1 72 72 LEU HB2 H 1 1.740 . . 1 . . . A 72 LEU HB2 . 18379 1 719 . 1 1 72 72 LEU HB3 H 1 1.740 . . 1 . . . A 72 LEU HB3 . 18379 1 720 . 1 1 72 72 LEU HG H 1 1.660 . . 1 . . . A 72 LEU HG . 18379 1 721 . 1 1 72 72 LEU HD11 H 1 0.888 . . 1 . . . A 72 LEU HD11 . 18379 1 722 . 1 1 72 72 LEU HD12 H 1 0.888 . . 1 . . . A 72 LEU HD12 . 18379 1 723 . 1 1 72 72 LEU HD13 H 1 0.888 . . 1 . . . A 72 LEU HD13 . 18379 1 724 . 1 1 72 72 LEU HD21 H 1 0.940 . . 1 . . . A 72 LEU HD21 . 18379 1 725 . 1 1 72 72 LEU HD22 H 1 0.940 . . 1 . . . A 72 LEU HD22 . 18379 1 726 . 1 1 72 72 LEU HD23 H 1 0.940 . . 1 . . . A 72 LEU HD23 . 18379 1 727 . 1 1 72 72 LEU C C 13 178.178 . . 1 . . . A 72 LEU C . 18379 1 728 . 1 1 72 72 LEU CA C 13 58.259 . . 1 . . . A 72 LEU CA . 18379 1 729 . 1 1 72 72 LEU CB C 13 41.636 . . 1 . . . A 72 LEU CB . 18379 1 730 . 1 1 72 72 LEU CG C 13 27.192 . . 1 . . . A 72 LEU CG . 18379 1 731 . 1 1 72 72 LEU CD1 C 13 24.807 . . 1 . . . A 72 LEU CD1 . 18379 1 732 . 1 1 72 72 LEU CD2 C 13 25.074 . . 1 . . . A 72 LEU CD2 . 18379 1 733 . 1 1 72 72 LEU N N 15 124.509 . . 1 . . . A 72 LEU N . 18379 1 734 . 1 1 73 73 VAL H H 1 7.959 . . 1 . . . A 73 VAL H . 18379 1 735 . 1 1 73 73 VAL HA H 1 3.885 . . 1 . . . A 73 VAL HA . 18379 1 736 . 1 1 73 73 VAL HB H 1 2.123 . . 1 . . . A 73 VAL HB . 18379 1 737 . 1 1 73 73 VAL HG11 H 1 1.013 . . 1 . . . A 73 VAL HG11 . 18379 1 738 . 1 1 73 73 VAL HG12 H 1 1.013 . . 1 . . . A 73 VAL HG12 . 18379 1 739 . 1 1 73 73 VAL HG13 H 1 1.013 . . 1 . . . A 73 VAL HG13 . 18379 1 740 . 1 1 73 73 VAL HG21 H 1 1.107 . . 1 . . . A 73 VAL HG21 . 18379 1 741 . 1 1 73 73 VAL HG22 H 1 1.107 . . 1 . . . A 73 VAL HG22 . 18379 1 742 . 1 1 73 73 VAL HG23 H 1 1.107 . . 1 . . . A 73 VAL HG23 . 18379 1 743 . 1 1 73 73 VAL C C 13 177.524 . . 1 . . . A 73 VAL C . 18379 1 744 . 1 1 73 73 VAL CA C 13 65.312 . . 1 . . . A 73 VAL CA . 18379 1 745 . 1 1 73 73 VAL CB C 13 31.041 . . 1 . . . A 73 VAL CB . 18379 1 746 . 1 1 73 73 VAL CG1 C 13 21.905 . . 1 . . . A 73 VAL CG1 . 18379 1 747 . 1 1 73 73 VAL CG2 C 13 22.313 . . 1 . . . A 73 VAL CG2 . 18379 1 748 . 1 1 73 73 VAL N N 15 116.266 . . 1 . . . A 73 VAL N . 18379 1 749 . 1 1 74 74 LEU H H 1 7.701 . . 1 . . . A 74 LEU H . 18379 1 750 . 1 1 74 74 LEU HA H 1 4.220 . . 1 . . . A 74 LEU HA . 18379 1 751 . 1 1 74 74 LEU HB2 H 1 1.660 . . 1 . . . A 74 LEU HB2 . 18379 1 752 . 1 1 74 74 LEU HB3 H 1 1.660 . . 1 . . . A 74 LEU HB3 . 18379 1 753 . 1 1 74 74 LEU HG H 1 1.660 . . 1 . . . A 74 LEU HG . 18379 1 754 . 1 1 74 74 LEU HD11 H 1 0.869 . . 1 . . . A 74 LEU HD11 . 18379 1 755 . 1 1 74 74 LEU HD12 H 1 0.869 . . 1 . . . A 74 LEU HD12 . 18379 1 756 . 1 1 74 74 LEU HD13 H 1 0.869 . . 1 . . . A 74 LEU HD13 . 18379 1 757 . 1 1 74 74 LEU HD21 H 1 0.922 . . 1 . . . A 74 LEU HD21 . 18379 1 758 . 1 1 74 74 LEU HD22 H 1 0.922 . . 1 . . . A 74 LEU HD22 . 18379 1 759 . 1 1 74 74 LEU HD23 H 1 0.922 . . 1 . . . A 74 LEU HD23 . 18379 1 760 . 1 1 74 74 LEU C C 13 179.351 . . 1 . . . A 74 LEU C . 18379 1 761 . 1 1 74 74 LEU CA C 13 57.208 . . 1 . . . A 74 LEU CA . 18379 1 762 . 1 1 74 74 LEU CB C 13 41.911 . . 1 . . . A 74 LEU CB . 18379 1 763 . 1 1 74 74 LEU CG C 13 27.262 . . 1 . . . A 74 LEU CG . 18379 1 764 . 1 1 74 74 LEU CD1 C 13 23.960 . . 1 . . . A 74 LEU CD1 . 18379 1 765 . 1 1 74 74 LEU CD2 C 13 25.163 . . 1 . . . A 74 LEU CD2 . 18379 1 766 . 1 1 74 74 LEU N N 15 119.454 . . 1 . . . A 74 LEU N . 18379 1 767 . 1 1 75 75 VAL H H 1 7.980 . . 1 . . . A 75 VAL H . 18379 1 768 . 1 1 75 75 VAL HA H 1 3.770 . . 1 . . . A 75 VAL HA . 18379 1 769 . 1 1 75 75 VAL HB H 1 2.140 . . 1 . . . A 75 VAL HB . 18379 1 770 . 1 1 75 75 VAL HG11 H 1 0.908 . . 1 . . . A 75 VAL HG11 . 18379 1 771 . 1 1 75 75 VAL HG12 H 1 0.908 . . 1 . . . A 75 VAL HG12 . 18379 1 772 . 1 1 75 75 VAL HG13 H 1 0.908 . . 1 . . . A 75 VAL HG13 . 18379 1 773 . 1 1 75 75 VAL HG21 H 1 1.075 . . 1 . . . A 75 VAL HG21 . 18379 1 774 . 1 1 75 75 VAL HG22 H 1 1.075 . . 1 . . . A 75 VAL HG22 . 18379 1 775 . 1 1 75 75 VAL HG23 H 1 1.075 . . 1 . . . A 75 VAL HG23 . 18379 1 776 . 1 1 75 75 VAL C C 13 176.915 . . 1 . . . A 75 VAL C . 18379 1 777 . 1 1 75 75 VAL CA C 13 59.380 . . 1 . . . A 75 VAL CA . 18379 1 778 . 1 1 75 75 VAL CB C 13 31.488 . . 1 . . . A 75 VAL CB . 18379 1 779 . 1 1 75 75 VAL CG1 C 13 21.524 . . 1 . . . A 75 VAL CG1 . 18379 1 780 . 1 1 75 75 VAL CG2 C 13 23.333 . . 1 . . . A 75 VAL CG2 . 18379 1 781 . 1 1 75 75 VAL N N 15 119.505 . . 1 . . . A 75 VAL N . 18379 1 782 . 1 1 77 77 ALA H H 1 8.276 . . 1 . . . A 77 ALA H . 18379 1 783 . 1 1 77 77 ALA HA H 1 3.885 . . 1 . . . A 77 ALA HA . 18379 1 784 . 1 1 77 77 ALA C C 13 179.500 . . 1 . . . A 77 ALA C . 18379 1 785 . 1 1 77 77 ALA CA C 13 54.942 . . 1 . . . A 77 ALA CA . 18379 1 786 . 1 1 77 77 ALA CB C 13 17.619 . . 1 . . . A 77 ALA CB . 18379 1 787 . 1 1 77 77 ALA N N 15 119.560 . . 1 . . . A 77 ALA N . 18379 1 788 . 1 1 78 78 GLN H H 1 8.284 . . 1 . . . A 78 GLN H . 18379 1 789 . 1 1 78 78 GLN HA H 1 4.050 . . 1 . . . A 78 GLN HA . 18379 1 790 . 1 1 78 78 GLN HB2 H 1 2.120 . . 1 . . . A 78 GLN HB2 . 18379 1 791 . 1 1 78 78 GLN HB3 H 1 2.120 . . 1 . . . A 78 GLN HB3 . 18379 1 792 . 1 1 78 78 GLN HG2 H 1 2.420 . . 1 . . . A 78 GLN HG2 . 18379 1 793 . 1 1 78 78 GLN HG3 H 1 2.610 . . 1 . . . A 78 GLN HG3 . 18379 1 794 . 1 1 78 78 GLN C C 13 177.993 . . 1 . . . A 78 GLN C . 18379 1 795 . 1 1 78 78 GLN CA C 13 58.746 . . 1 . . . A 78 GLN CA . 18379 1 796 . 1 1 78 78 GLN CB C 13 29.032 . . 1 . . . A 78 GLN CB . 18379 1 797 . 1 1 78 78 GLN CG C 13 34.653 . . 1 . . . A 78 GLN CG . 18379 1 798 . 1 1 78 78 GLN N N 15 116.922 . . 1 . . . A 78 GLN N . 18379 1 799 . 1 1 79 79 LEU H H 1 8.419 . . 1 . . . A 79 LEU H . 18379 1 800 . 1 1 79 79 LEU HA H 1 4.020 . . 1 . . . A 79 LEU HA . 18379 1 801 . 1 1 79 79 LEU HB2 H 1 1.530 . . 1 . . . A 79 LEU HB2 . 18379 1 802 . 1 1 79 79 LEU HB3 H 1 1.530 . . 1 . . . A 79 LEU HB3 . 18379 1 803 . 1 1 79 79 LEU HG H 1 1.327 . . 1 . . . A 79 LEU HG . 18379 1 804 . 1 1 79 79 LEU HD11 H 1 0.816 . . 1 . . . A 79 LEU HD11 . 18379 1 805 . 1 1 79 79 LEU HD12 H 1 0.816 . . 1 . . . A 79 LEU HD12 . 18379 1 806 . 1 1 79 79 LEU HD13 H 1 0.816 . . 1 . . . A 79 LEU HD13 . 18379 1 807 . 1 1 79 79 LEU HD21 H 1 0.759 . . 1 . . . A 79 LEU HD21 . 18379 1 808 . 1 1 79 79 LEU HD22 H 1 0.759 . . 1 . . . A 79 LEU HD22 . 18379 1 809 . 1 1 79 79 LEU HD23 H 1 0.759 . . 1 . . . A 79 LEU HD23 . 18379 1 810 . 1 1 79 79 LEU C C 13 179.360 . . 1 . . . A 79 LEU C . 18379 1 811 . 1 1 79 79 LEU CA C 13 58.366 . . 1 . . . A 79 LEU CA . 18379 1 812 . 1 1 79 79 LEU CB C 13 40.264 . . 1 . . . A 79 LEU CB . 18379 1 813 . 1 1 79 79 LEU CG C 13 27.122 . . 1 . . . A 79 LEU CG . 18379 1 814 . 1 1 79 79 LEU CD1 C 13 24.239 . . 1 . . . A 79 LEU CD1 . 18379 1 815 . 1 1 79 79 LEU CD2 C 13 26.299 . . 1 . . . A 79 LEU CD2 . 18379 1 816 . 1 1 79 79 LEU N N 15 120.615 . . 1 . . . A 79 LEU N . 18379 1 817 . 1 1 80 80 HIS H H 1 7.537 . . 1 . . . A 80 HIS H . 18379 1 818 . 1 1 80 80 HIS HA H 1 3.755 . . 1 . . . A 80 HIS HA . 18379 1 819 . 1 1 80 80 HIS C C 13 177.428 . . 1 . . . A 80 HIS C . 18379 1 820 . 1 1 80 80 HIS CA C 13 60.881 . . 1 . . . A 80 HIS CA . 18379 1 821 . 1 1 80 80 HIS CB C 13 30.317 . . 1 . . . A 80 HIS CB . 18379 1 822 . 1 1 80 80 HIS N N 15 119.658 . . 1 . . . A 80 HIS N . 18379 1 823 . 1 1 81 81 LEU H H 1 8.642 . . 1 . . . A 81 LEU H . 18379 1 824 . 1 1 81 81 LEU HA H 1 4.083 . . 1 . . . A 81 LEU HA . 18379 1 825 . 1 1 81 81 LEU HB2 H 1 1.650 . . 1 . . . A 81 LEU HB2 . 18379 1 826 . 1 1 81 81 LEU HB3 H 1 1.650 . . 1 . . . A 81 LEU HB3 . 18379 1 827 . 1 1 81 81 LEU HG H 1 1.650 . . 1 . . . A 81 LEU HG . 18379 1 828 . 1 1 81 81 LEU HD11 H 1 0.705 . . 1 . . . A 81 LEU HD11 . 18379 1 829 . 1 1 81 81 LEU HD12 H 1 0.705 . . 1 . . . A 81 LEU HD12 . 18379 1 830 . 1 1 81 81 LEU HD13 H 1 0.705 . . 1 . . . A 81 LEU HD13 . 18379 1 831 . 1 1 81 81 LEU HD21 H 1 0.797 . . 1 . . . A 81 LEU HD21 . 18379 1 832 . 1 1 81 81 LEU HD22 H 1 0.797 . . 1 . . . A 81 LEU HD22 . 18379 1 833 . 1 1 81 81 LEU HD23 H 1 0.797 . . 1 . . . A 81 LEU HD23 . 18379 1 834 . 1 1 81 81 LEU C C 13 179.222 . . 1 . . . A 81 LEU C . 18379 1 835 . 1 1 81 81 LEU CA C 13 58.205 . . 1 . . . A 81 LEU CA . 18379 1 836 . 1 1 81 81 LEU CB C 13 41.021 . . 1 . . . A 81 LEU CB . 18379 1 837 . 1 1 81 81 LEU CG C 13 27.372 . . 1 . . . A 81 LEU CG . 18379 1 838 . 1 1 81 81 LEU CD1 C 13 24.442 . . 1 . . . A 81 LEU CD1 . 18379 1 839 . 1 1 81 81 LEU CD2 C 13 25.101 . . 1 . . . A 81 LEU CD2 . 18379 1 840 . 1 1 81 81 LEU N N 15 121.240 . . 1 . . . A 81 LEU N . 18379 1 841 . 1 1 82 82 MET H H 1 9.460 . . 1 . . . A 82 MET H . 18379 1 842 . 1 1 82 82 MET HA H 1 3.920 . . 1 . . . A 82 MET HA . 18379 1 843 . 1 1 82 82 MET HB2 H 1 2.230 . . 1 . . . A 82 MET HB2 . 18379 1 844 . 1 1 82 82 MET HB3 H 1 2.230 . . 1 . . . A 82 MET HB3 . 18379 1 845 . 1 1 82 82 MET C C 13 180.973 . . 1 . . . A 82 MET C . 18379 1 846 . 1 1 82 82 MET CA C 13 59.587 . . 1 . . . A 82 MET CA . 18379 1 847 . 1 1 82 82 MET CB C 13 32.556 . . 1 . . . A 82 MET CB . 18379 1 848 . 1 1 82 82 MET N N 15 115.959 . . 1 . . . A 82 MET N . 18379 1 849 . 1 1 83 83 THR H H 1 7.661 . . 1 . . . A 83 THR H . 18379 1 850 . 1 1 83 83 THR HB H 1 4.245 . . 1 . . . A 83 THR HB . 18379 1 851 . 1 1 83 83 THR C C 13 176.301 . . 1 . . . A 83 THR C . 18379 1 852 . 1 1 83 83 THR CA C 13 65.720 . . 1 . . . A 83 THR CA . 18379 1 853 . 1 1 83 83 THR CB C 13 68.129 . . 1 . . . A 83 THR CB . 18379 1 854 . 1 1 83 83 THR CG2 C 13 22.352 . . 1 . . . A 83 THR CG2 . 18379 1 855 . 1 1 83 83 THR N N 15 110.240 . . 1 . . . A 83 THR N . 18379 1 856 . 1 1 84 84 SER H H 1 7.843 . . 1 . . . A 84 SER H . 18379 1 857 . 1 1 84 84 SER HA H 1 4.145 . . 1 . . . A 84 SER HA . 18379 1 858 . 1 1 84 84 SER C C 13 175.809 . . 1 . . . A 84 SER C . 18379 1 859 . 1 1 84 84 SER CA C 13 62.572 . . 1 . . . A 84 SER CA . 18379 1 860 . 1 1 84 84 SER CB C 13 63.129 . . 1 . . . A 84 SER CB . 18379 1 861 . 1 1 84 84 SER N N 15 118.353 . . 1 . . . A 84 SER N . 18379 1 862 . 1 1 85 85 MET H H 1 8.647 . . 1 . . . A 85 MET H . 18379 1 863 . 1 1 85 85 MET HA H 1 4.040 . . 1 . . . A 85 MET HA . 18379 1 864 . 1 1 85 85 MET HB2 H 1 2.550 . . 1 . . . A 85 MET HB2 . 18379 1 865 . 1 1 85 85 MET HB3 H 1 2.780 . . 1 . . . A 85 MET HB3 . 18379 1 866 . 1 1 85 85 MET HG2 H 1 2.075 . . 1 . . . A 85 MET HG2 . 18379 1 867 . 1 1 85 85 MET HG3 H 1 2.075 . . 1 . . . A 85 MET HG3 . 18379 1 868 . 1 1 85 85 MET C C 13 177.452 . . 1 . . . A 85 MET C . 18379 1 869 . 1 1 85 85 MET CA C 13 59.146 . . 1 . . . A 85 MET CA . 18379 1 870 . 1 1 85 85 MET CB C 13 32.622 . . 1 . . . A 85 MET CB . 18379 1 871 . 1 1 85 85 MET CG C 13 33.370 . . 1 . . . A 85 MET CG . 18379 1 872 . 1 1 85 85 MET N N 15 120.631 . . 1 . . . A 85 MET N . 18379 1 873 . 1 1 86 86 LEU H H 1 7.572 . . 1 . . . A 86 LEU H . 18379 1 874 . 1 1 86 86 LEU HA H 1 4.247 . . 1 . . . A 86 LEU HA . 18379 1 875 . 1 1 86 86 LEU HB2 H 1 1.575 . . 1 . . . A 86 LEU HB2 . 18379 1 876 . 1 1 86 86 LEU HB3 H 1 1.840 . . 1 . . . A 86 LEU HB3 . 18379 1 877 . 1 1 86 86 LEU HG H 1 1.570 . . 1 . . . A 86 LEU HG . 18379 1 878 . 1 1 86 86 LEU C C 13 178.100 . . 1 . . . A 86 LEU C . 18379 1 879 . 1 1 86 86 LEU CA C 13 57.361 . . 1 . . . A 86 LEU CA . 18379 1 880 . 1 1 86 86 LEU CB C 13 40.834 . . 1 . . . A 86 LEU CB . 18379 1 881 . 1 1 86 86 LEU CG C 13 27.302 . . 1 . . . A 86 LEU CG . 18379 1 882 . 1 1 86 86 LEU N N 15 119.058 . . 1 . . . A 86 LEU N . 18379 1 883 . 1 1 87 87 ALA H H 1 8.095 . . 1 . . . A 87 ALA H . 18379 1 884 . 1 1 87 87 ALA HA H 1 3.930 . . 1 . . . A 87 ALA HA . 18379 1 885 . 1 1 87 87 ALA C C 13 178.523 . . 1 . . . A 87 ALA C . 18379 1 886 . 1 1 87 87 ALA CA C 13 55.356 . . 1 . . . A 87 ALA CA . 18379 1 887 . 1 1 87 87 ALA CB C 13 16.560 . . 1 . . . A 87 ALA CB . 18379 1 888 . 1 1 87 87 ALA N N 15 118.278 . . 1 . . . A 87 ALA N . 18379 1 889 . 1 1 88 88 ARG H H 1 8.152 . . 1 . . . A 88 ARG H . 18379 1 890 . 1 1 88 88 ARG HA H 1 3.580 . . 1 . . . A 88 ARG HA . 18379 1 891 . 1 1 88 88 ARG HB2 H 1 1.770 . . 1 . . . A 88 ARG HB2 . 18379 1 892 . 1 1 88 88 ARG HB3 H 1 1.770 . . 1 . . . A 88 ARG HB3 . 18379 1 893 . 1 1 88 88 ARG HG2 H 1 1.670 . . 1 . . . A 88 ARG HG2 . 18379 1 894 . 1 1 88 88 ARG HG3 H 1 1.670 . . 1 . . . A 88 ARG HG3 . 18379 1 895 . 1 1 88 88 ARG C C 13 179.550 . . 1 . . . A 88 ARG C . 18379 1 896 . 1 1 88 88 ARG CA C 13 60.515 . . 1 . . . A 88 ARG CA . 18379 1 897 . 1 1 88 88 ARG CB C 13 28.273 . . 1 . . . A 88 ARG CB . 18379 1 898 . 1 1 88 88 ARG CG C 13 27.462 . . 1 . . . A 88 ARG CG . 18379 1 899 . 1 1 88 88 ARG N N 15 115.775 . . 1 . . . A 88 ARG N . 18379 1 900 . 1 1 89 89 GLU H H 1 8.490 . . 1 . . . A 89 GLU H . 18379 1 901 . 1 1 89 89 GLU HA H 1 3.850 . . 1 . . . A 89 GLU HA . 18379 1 902 . 1 1 89 89 GLU HB2 H 1 2.070 . . 1 . . . A 89 GLU HB2 . 18379 1 903 . 1 1 89 89 GLU HB3 H 1 2.070 . . 1 . . . A 89 GLU HB3 . 18379 1 904 . 1 1 89 89 GLU HG2 H 1 2.375 . . 1 . . . A 89 GLU HG2 . 18379 1 905 . 1 1 89 89 GLU HG3 H 1 2.375 . . 1 . . . A 89 GLU HG3 . 18379 1 906 . 1 1 89 89 GLU C C 13 179.910 . . 1 . . . A 89 GLU C . 18379 1 907 . 1 1 89 89 GLU CA C 13 59.329 . . 1 . . . A 89 GLU CA . 18379 1 908 . 1 1 89 89 GLU CB C 13 29.098 . . 1 . . . A 89 GLU CB . 18379 1 909 . 1 1 89 89 GLU CG C 13 36.530 . . 1 . . . A 89 GLU CG . 18379 1 910 . 1 1 89 89 GLU N N 15 120.153 . . 1 . . . A 89 GLU N . 18379 1 911 . 1 1 90 90 LEU H H 1 8.400 . . 1 . . . A 90 LEU H . 18379 1 912 . 1 1 90 90 LEU HA H 1 4.275 . . 1 . . . A 90 LEU HA . 18379 1 913 . 1 1 90 90 LEU HG H 1 2.172 . . 1 . . . A 90 LEU HG . 18379 1 914 . 1 1 90 90 LEU C C 13 179.919 . . 1 . . . A 90 LEU C . 18379 1 915 . 1 1 90 90 LEU CA C 13 56.902 . . 1 . . . A 90 LEU CA . 18379 1 916 . 1 1 90 90 LEU CB C 13 40.396 . . 1 . . . A 90 LEU CB . 18379 1 917 . 1 1 90 90 LEU N N 15 117.829 . . 1 . . . A 90 LEU N . 18379 1 918 . 1 1 91 91 ILE H H 1 9.146 . . 1 . . . A 91 ILE H . 18379 1 919 . 1 1 91 91 ILE HA H 1 3.740 . . 1 . . . A 91 ILE HA . 18379 1 920 . 1 1 91 91 ILE HB H 1 1.890 . . 1 . . . A 91 ILE HB . 18379 1 921 . 1 1 91 91 ILE HD11 H 1 0.145 . . 1 . . . A 91 ILE HD11 . 18379 1 922 . 1 1 91 91 ILE HD12 H 1 0.145 . . 1 . . . A 91 ILE HD12 . 18379 1 923 . 1 1 91 91 ILE HD13 H 1 0.145 . . 1 . . . A 91 ILE HD13 . 18379 1 924 . 1 1 91 91 ILE C C 13 178.302 . . 1 . . . A 91 ILE C . 18379 1 925 . 1 1 91 91 ILE CA C 13 65.938 . . 1 . . . A 91 ILE CA . 18379 1 926 . 1 1 91 91 ILE CB C 13 36.476 . . 1 . . . A 91 ILE CB . 18379 1 927 . 1 1 91 91 ILE CG1 C 13 31.667 . . 1 . . . A 91 ILE CG1 . 18379 1 928 . 1 1 91 91 ILE CG2 C 13 19.224 . . 1 . . . A 91 ILE CG2 . 18379 1 929 . 1 1 91 91 ILE CD1 C 13 12.996 . . 1 . . . A 91 ILE CD1 . 18379 1 930 . 1 1 91 91 ILE N N 15 121.699 . . 1 . . . A 91 ILE N . 18379 1 931 . 1 1 92 92 THR H H 1 8.099 . . 1 . . . A 92 THR H . 18379 1 932 . 1 1 92 92 THR HA H 1 3.825 . . 1 . . . A 92 THR HA . 18379 1 933 . 1 1 92 92 THR HB H 1 4.503 . . 1 . . . A 92 THR HB . 18379 1 934 . 1 1 92 92 THR C C 13 176.174 . . 1 . . . A 92 THR C . 18379 1 935 . 1 1 92 92 THR CA C 13 67.945 . . 1 . . . A 92 THR CA . 18379 1 936 . 1 1 92 92 THR CB C 13 68.755 . . 1 . . . A 92 THR CB . 18379 1 937 . 1 1 92 92 THR CG2 C 13 21.292 . . 1 . . . A 92 THR CG2 . 18379 1 938 . 1 1 92 92 THR N N 15 117.124 . . 1 . . . A 92 THR N . 18379 1 939 . 1 1 93 93 GLU H H 1 6.943 . . 1 . . . A 93 GLU H . 18379 1 940 . 1 1 93 93 GLU HA H 1 4.170 . . 1 . . . A 93 GLU HA . 18379 1 941 . 1 1 93 93 GLU C C 13 180.025 . . 1 . . . A 93 GLU C . 18379 1 942 . 1 1 93 93 GLU CA C 13 57.318 . . 1 . . . A 93 GLU CA . 18379 1 943 . 1 1 93 93 GLU CB C 13 28.110 . . 1 . . . A 93 GLU CB . 18379 1 944 . 1 1 93 93 GLU N N 15 117.675 . . 1 . . . A 93 GLU N . 18379 1 945 . 1 1 94 94 LEU H H 1 8.207 . . 1 . . . A 94 LEU H . 18379 1 946 . 1 1 94 94 LEU HA H 1 4.170 . . 1 . . . A 94 LEU HA . 18379 1 947 . 1 1 94 94 LEU HB2 H 1 1.650 . . 1 . . . A 94 LEU HB2 . 18379 1 948 . 1 1 94 94 LEU HB3 H 1 1.650 . . 1 . . . A 94 LEU HB3 . 18379 1 949 . 1 1 94 94 LEU HG H 1 1.999 . . 1 . . . A 94 LEU HG . 18379 1 950 . 1 1 94 94 LEU C C 13 178.939 . . 1 . . . A 94 LEU C . 18379 1 951 . 1 1 94 94 LEU CA C 13 57.312 . . 1 . . . A 94 LEU CA . 18379 1 952 . 1 1 94 94 LEU CB C 13 41.450 . . 1 . . . A 94 LEU CB . 18379 1 953 . 1 1 94 94 LEU N N 15 121.835 . . 1 . . . A 94 LEU N . 18379 1 954 . 1 1 95 95 ILE H H 1 8.796 . . 1 . . . A 95 ILE H . 18379 1 955 . 1 1 95 95 ILE HA H 1 3.563 . . 1 . . . A 95 ILE HA . 18379 1 956 . 1 1 95 95 ILE HB H 1 2.130 . . 1 . . . A 95 ILE HB . 18379 1 957 . 1 1 95 95 ILE HD11 H 1 0.825 . . 1 . . . A 95 ILE HD11 . 18379 1 958 . 1 1 95 95 ILE HD12 H 1 0.825 . . 1 . . . A 95 ILE HD12 . 18379 1 959 . 1 1 95 95 ILE HD13 H 1 0.825 . . 1 . . . A 95 ILE HD13 . 18379 1 960 . 1 1 95 95 ILE C C 13 177.323 . . 1 . . . A 95 ILE C . 18379 1 961 . 1 1 95 95 ILE CA C 13 66.915 . . 1 . . . A 95 ILE CA . 18379 1 962 . 1 1 95 95 ILE CB C 13 37.003 . . 1 . . . A 95 ILE CB . 18379 1 963 . 1 1 95 95 ILE CG2 C 13 16.430 . . 1 . . . A 95 ILE CG2 . 18379 1 964 . 1 1 95 95 ILE CD1 C 13 14.342 . . 1 . . . A 95 ILE CD1 . 18379 1 965 . 1 1 95 95 ILE N N 15 120.799 . . 1 . . . A 95 ILE N . 18379 1 966 . 1 1 96 96 GLU H H 1 7.584 . . 1 . . . A 96 GLU H . 18379 1 967 . 1 1 96 96 GLU HA H 1 4.173 . . 1 . . . A 96 GLU HA . 18379 1 968 . 1 1 96 96 GLU HB2 H 1 2.212 . . 1 . . . A 96 GLU HB2 . 18379 1 969 . 1 1 96 96 GLU HB3 H 1 2.212 . . 1 . . . A 96 GLU HB3 . 18379 1 970 . 1 1 96 96 GLU HG2 H 1 2.567 . . 1 . . . A 96 GLU HG2 . 18379 1 971 . 1 1 96 96 GLU HG3 H 1 2.567 . . 1 . . . A 96 GLU HG3 . 18379 1 972 . 1 1 96 96 GLU C C 13 179.704 . . 1 . . . A 96 GLU C . 18379 1 973 . 1 1 96 96 GLU CA C 13 59.409 . . 1 . . . A 96 GLU CA . 18379 1 974 . 1 1 96 96 GLU CB C 13 28.703 . . 1 . . . A 96 GLU CB . 18379 1 975 . 1 1 96 96 GLU CG C 13 36.790 . . 1 . . . A 96 GLU CG . 18379 1 976 . 1 1 96 96 GLU N N 15 117.848 . . 1 . . . A 96 GLU N . 18379 1 977 . 1 1 97 97 LEU H H 1 7.486 . . 1 . . . A 97 LEU H . 18379 1 978 . 1 1 97 97 LEU HA H 1 3.894 . . 1 . . . A 97 LEU HA . 18379 1 979 . 1 1 97 97 LEU HB2 H 1 1.040 . . 1 . . . A 97 LEU HB2 . 18379 1 980 . 1 1 97 97 LEU HB3 H 1 1.040 . . 1 . . . A 97 LEU HB3 . 18379 1 981 . 1 1 97 97 LEU HG H 1 1.390 . . 1 . . . A 97 LEU HG . 18379 1 982 . 1 1 97 97 LEU C C 13 178.248 . . 1 . . . A 97 LEU C . 18379 1 983 . 1 1 97 97 LEU CA C 13 58.298 . . 1 . . . A 97 LEU CA . 18379 1 984 . 1 1 97 97 LEU CB C 13 42.043 . . 1 . . . A 97 LEU CB . 18379 1 985 . 1 1 97 97 LEU CG C 13 28.737 . . 1 . . . A 97 LEU CG . 18379 1 986 . 1 1 97 97 LEU N N 15 119.451 . . 1 . . . A 97 LEU N . 18379 1 987 . 1 1 98 98 HIS H H 1 8.080 . . 1 . . . A 98 HIS H . 18379 1 988 . 1 1 98 98 HIS HA H 1 4.310 . . 1 . . . A 98 HIS HA . 18379 1 989 . 1 1 98 98 HIS HB2 H 1 3.390 . . 1 . . . A 98 HIS HB2 . 18379 1 990 . 1 1 98 98 HIS HB3 H 1 3.390 . . 1 . . . A 98 HIS HB3 . 18379 1 991 . 1 1 98 98 HIS HD2 H 1 6.924 . . 1 . . . A 98 HIS HD2 . 18379 1 992 . 1 1 98 98 HIS C C 13 178.771 . . 1 . . . A 98 HIS C . 18379 1 993 . 1 1 98 98 HIS CA C 13 61.648 . . 1 . . . A 98 HIS CA . 18379 1 994 . 1 1 98 98 HIS CB C 13 29.954 . . 1 . . . A 98 HIS CB . 18379 1 995 . 1 1 98 98 HIS N N 15 116.886 . . 1 . . . A 98 HIS N . 18379 1 996 . 1 1 99 99 GLU H H 1 8.392 . . 1 . . . A 99 GLU H . 18379 1 997 . 1 1 99 99 GLU HA H 1 3.945 . . 1 . . . A 99 GLU HA . 18379 1 998 . 1 1 99 99 GLU HB2 H 1 2.115 . . 1 . . . A 99 GLU HB2 . 18379 1 999 . 1 1 99 99 GLU HB3 H 1 2.115 . . 1 . . . A 99 GLU HB3 . 18379 1 1000 . 1 1 99 99 GLU C C 13 178.669 . . 1 . . . A 99 GLU C . 18379 1 1001 . 1 1 99 99 GLU CA C 13 59.062 . . 1 . . . A 99 GLU CA . 18379 1 1002 . 1 1 99 99 GLU CB C 13 28.373 . . 1 . . . A 99 GLU CB . 18379 1 1003 . 1 1 99 99 GLU N N 15 120.797 . . 1 . . . A 99 GLU N . 18379 1 1004 . 1 1 100 100 LYS H H 1 7.750 . . 1 . . . A 100 LYS H . 18379 1 1005 . 1 1 100 100 LYS HA H 1 4.107 . . 1 . . . A 100 LYS HA . 18379 1 1006 . 1 1 100 100 LYS HB2 H 1 1.977 . . 1 . . . A 100 LYS HB2 . 18379 1 1007 . 1 1 100 100 LYS HB3 H 1 1.977 . . 1 . . . A 100 LYS HB3 . 18379 1 1008 . 1 1 100 100 LYS HG2 H 1 1.570 . . 1 . . . A 100 LYS HG2 . 18379 1 1009 . 1 1 100 100 LYS HG3 H 1 1.720 . . 1 . . . A 100 LYS HG3 . 18379 1 1010 . 1 1 100 100 LYS HD2 H 1 1.730 . . 1 . . . A 100 LYS HD2 . 18379 1 1011 . 1 1 100 100 LYS HD3 H 1 1.730 . . 1 . . . A 100 LYS HD3 . 18379 1 1012 . 1 1 100 100 LYS C C 13 177.941 . . 1 . . . A 100 LYS C . 18379 1 1013 . 1 1 100 100 LYS CA C 13 57.781 . . 1 . . . A 100 LYS CA . 18379 1 1014 . 1 1 100 100 LYS CB C 13 31.898 . . 1 . . . A 100 LYS CB . 18379 1 1015 . 1 1 100 100 LYS CG C 13 25.595 . . 1 . . . A 100 LYS CG . 18379 1 1016 . 1 1 100 100 LYS CD C 13 29.462 . . 1 . . . A 100 LYS CD . 18379 1 1017 . 1 1 100 100 LYS CE C 13 42.090 . . 1 . . . A 100 LYS CE . 18379 1 1018 . 1 1 100 100 LYS N N 15 118.642 . . 1 . . . A 100 LYS N . 18379 1 1019 . 1 1 101 101 LEU H H 1 7.493 . . 1 . . . A 101 LEU H . 18379 1 1020 . 1 1 101 101 LEU HA H 1 4.252 . . 1 . . . A 101 LEU HA . 18379 1 1021 . 1 1 101 101 LEU HB2 H 1 1.748 . . 1 . . . A 101 LEU HB2 . 18379 1 1022 . 1 1 101 101 LEU HB3 H 1 1.748 . . 1 . . . A 101 LEU HB3 . 18379 1 1023 . 1 1 101 101 LEU HG H 1 1.750 . . 1 . . . A 101 LEU HG . 18379 1 1024 . 1 1 101 101 LEU C C 13 177.033 . . 1 . . . A 101 LEU C . 18379 1 1025 . 1 1 101 101 LEU CA C 13 55.203 . . 1 . . . A 101 LEU CA . 18379 1 1026 . 1 1 101 101 LEU CB C 13 41.351 . . 1 . . . A 101 LEU CB . 18379 1 1027 . 1 1 101 101 LEU CG C 13 26.872 . . 1 . . . A 101 LEU CG . 18379 1 1028 . 1 1 101 101 LEU N N 15 118.214 . . 1 . . . A 101 LEU N . 18379 1 1029 . 1 1 102 102 LYS H H 1 7.422 . . 1 . . . A 102 LYS H . 18379 1 1030 . 1 1 102 102 LYS HA H 1 4.369 . . 1 . . . A 102 LYS HA . 18379 1 1031 . 1 1 102 102 LYS HB2 H 1 2.010 . . 1 . . . A 102 LYS HB2 . 18379 1 1032 . 1 1 102 102 LYS HB3 H 1 2.055 . . 1 . . . A 102 LYS HB3 . 18379 1 1033 . 1 1 102 102 LYS HG2 H 1 1.630 . . 1 . . . A 102 LYS HG2 . 18379 1 1034 . 1 1 102 102 LYS HG3 H 1 1.630 . . 1 . . . A 102 LYS HG3 . 18379 1 1035 . 1 1 102 102 LYS HD2 H 1 1.800 . . 1 . . . A 102 LYS HD2 . 18379 1 1036 . 1 1 102 102 LYS HD3 H 1 1.800 . . 1 . . . A 102 LYS HD3 . 18379 1 1037 . 1 1 102 102 LYS C C 13 175.189 . . 1 . . . A 102 LYS C . 18379 1 1038 . 1 1 102 102 LYS CA C 13 56.080 . . 1 . . . A 102 LYS CA . 18379 1 1039 . 1 1 102 102 LYS CB C 13 31.766 . . 1 . . . A 102 LYS CB . 18379 1 1040 . 1 1 102 102 LYS CG C 13 24.544 . . 1 . . . A 102 LYS CG . 18379 1 1041 . 1 1 102 102 LYS CD C 13 29.222 . . 1 . . . A 102 LYS CD . 18379 1 1042 . 1 1 102 102 LYS CE C 13 42.288 . . 1 . . . A 102 LYS CE . 18379 1 1043 . 1 1 102 102 LYS N N 15 120.035 . . 1 . . . A 102 LYS N . 18379 1 1044 . 1 1 103 103 ALA H H 1 7.834 . . 1 . . . A 103 ALA H . 18379 1 1045 . 1 1 103 103 ALA HA H 1 4.185 . . 1 . . . A 103 ALA HA . 18379 1 1046 . 1 1 103 103 ALA CA C 13 53.540 . . 1 . . . A 103 ALA CA . 18379 1 1047 . 1 1 103 103 ALA CB C 13 19.184 . . 1 . . . A 103 ALA CB . 18379 1 1048 . 1 1 103 103 ALA N N 15 131.157 . . 1 . . . A 103 ALA N . 18379 1 1049 . 4 2 1 1 MET HA H 1 4.581 . . 1 . . . D 301 MET HA . 18379 1 1050 . 4 2 1 1 MET HB2 H 1 2.245 . . 1 . . . D 301 MET HB2 . 18379 1 1051 . 4 2 1 1 MET HB3 H 1 2.053 . . 1 . . . D 301 MET HB3 . 18379 1 1052 . 4 2 1 1 MET HG2 H 1 2.436 . . 1 . . . D 301 MET HG2 . 18379 1 1053 . 4 2 1 1 MET HG3 H 1 2.436 . . 1 . . . D 301 MET HG3 . 18379 1 1054 . 4 2 1 1 MET CA C 13 54.814 . . 1 . . . D 301 MET CA . 18379 1 1055 . 4 2 1 1 MET CB C 13 32.653 . . 1 . . . D 301 MET CB . 18379 1 1056 . 4 2 1 1 MET CG C 13 31.317 . . 1 . . . D 301 MET CG . 18379 1 1057 . 4 2 2 2 PHE HA H 1 4.763 . . 1 . . . D 302 PHE HA . 18379 1 1058 . 4 2 2 2 PHE HB2 H 1 2.596 . . 1 . . . D 302 PHE HB2 . 18379 1 1059 . 4 2 2 2 PHE HB3 H 1 3.131 . . 1 . . . D 302 PHE HB3 . 18379 1 1060 . 4 2 2 2 PHE HD1 H 1 7.223 . . 1 . . . D 302 PHE HD1 . 18379 1 1061 . 4 2 2 2 PHE HD2 H 1 7.223 . . 1 . . . D 302 PHE HD2 . 18379 1 1062 . 4 2 2 2 PHE CA C 13 57.438 . . 1 . . . D 302 PHE CA . 18379 1 1063 . 4 2 2 2 PHE CB C 13 42.911 . . 1 . . . D 302 PHE CB . 18379 1 1064 . 4 2 2 2 PHE CD1 C 13 132.463 . . 1 . . . D 302 PHE CD1 . 18379 1 1065 . 4 2 2 2 PHE CD2 C 13 132.463 . . 1 . . . D 302 PHE CD2 . 18379 1 1066 . 4 2 2 2 PHE CE1 C 13 131.721 . . 1 . . . D 302 PHE CE1 . 18379 1 1067 . 4 2 2 2 PHE CE2 C 13 131.721 . . 1 . . . D 302 PHE CE2 . 18379 1 1068 . 4 2 3 3 GLN H H 1 7.661 . . 1 . . . D 303 GLN H . 18379 1 1069 . 4 2 3 3 GLN HA H 1 5.706 . . 1 . . . D 303 GLN HA . 18379 1 1070 . 4 2 3 3 GLN HB2 H 1 2.041 . . 1 . . . D 303 GLN HB2 . 18379 1 1071 . 4 2 3 3 GLN HB3 H 1 1.938 . . 1 . . . D 303 GLN HB3 . 18379 1 1072 . 4 2 3 3 GLN CA C 13 53.776 . . 1 . . . D 303 GLN CA . 18379 1 1073 . 4 2 3 3 GLN CB C 13 32.679 . . 1 . . . D 303 GLN CB . 18379 1 1074 . 4 2 3 3 GLN N N 15 123.252 . . 1 . . . D 303 GLN N . 18379 1 1075 . 4 2 4 4 GLN H H 1 8.527 . . 1 . . . D 304 GLN H . 18379 1 1076 . 4 2 4 4 GLN HA H 1 4.361 . . 1 . . . D 304 GLN HA . 18379 1 1077 . 4 2 4 4 GLN HB2 H 1 1.825 . . 1 . . . D 304 GLN HB2 . 18379 1 1078 . 4 2 4 4 GLN HB3 H 1 1.825 . . 1 . . . D 304 GLN HB3 . 18379 1 1079 . 4 2 4 4 GLN HG2 H 1 2.350 . . 1 . . . D 304 GLN HG2 . 18379 1 1080 . 4 2 4 4 GLN HG3 H 1 2.350 . . 1 . . . D 304 GLN HG3 . 18379 1 1081 . 4 2 4 4 GLN CA C 13 55.686 . . 1 . . . D 304 GLN CA . 18379 1 1082 . 4 2 4 4 GLN CB C 13 34.664 . . 1 . . . D 304 GLN CB . 18379 1 1083 . 4 2 4 4 GLN CG C 13 34.223 . . 1 . . . D 304 GLN CG . 18379 1 1084 . 4 2 4 4 GLN N N 15 119.696 . . 1 . . . D 304 GLN N . 18379 1 1085 . 4 2 5 5 GLU H H 1 8.376 . . 1 . . . D 305 GLU H . 18379 1 1086 . 4 2 5 5 GLU HA H 1 5.361 . . 1 . . . D 305 GLU HA . 18379 1 1087 . 4 2 5 5 GLU HB2 H 1 1.799 . . 1 . . . D 305 GLU HB2 . 18379 1 1088 . 4 2 5 5 GLU HB3 H 1 1.799 . . 1 . . . D 305 GLU HB3 . 18379 1 1089 . 4 2 5 5 GLU HG2 H 1 2.098 . . 1 . . . D 305 GLU HG2 . 18379 1 1090 . 4 2 5 5 GLU HG3 H 1 2.098 . . 1 . . . D 305 GLU HG3 . 18379 1 1091 . 4 2 5 5 GLU CA C 13 55.034 . . 1 . . . D 305 GLU CA . 18379 1 1092 . 4 2 5 5 GLU CB C 13 32.232 . . 1 . . . D 305 GLU CB . 18379 1 1093 . 4 2 5 5 GLU CG C 13 37.058 . . 1 . . . D 305 GLU CG . 18379 1 1094 . 4 2 5 5 GLU N N 15 123.577 . . 1 . . . D 305 GLU N . 18379 1 1095 . 4 2 6 6 VAL H H 1 9.312 . . 1 . . . D 306 VAL H . 18379 1 1096 . 4 2 6 6 VAL HA H 1 4.509 . . 1 . . . D 306 VAL HA . 18379 1 1097 . 4 2 6 6 VAL HB H 1 2.101 . . 1 . . . D 306 VAL HB . 18379 1 1098 . 4 2 6 6 VAL HG11 H 1 1.059 . . 1 . . . D 306 VAL HG11 . 18379 1 1099 . 4 2 6 6 VAL HG12 H 1 1.059 . . 1 . . . D 306 VAL HG12 . 18379 1 1100 . 4 2 6 6 VAL HG13 H 1 1.059 . . 1 . . . D 306 VAL HG13 . 18379 1 1101 . 4 2 6 6 VAL HG21 H 1 0.872 . . 1 . . . D 306 VAL HG21 . 18379 1 1102 . 4 2 6 6 VAL HG22 H 1 0.872 . . 1 . . . D 306 VAL HG22 . 18379 1 1103 . 4 2 6 6 VAL HG23 H 1 0.872 . . 1 . . . D 306 VAL HG23 . 18379 1 1104 . 4 2 6 6 VAL CA C 13 60.379 . . 1 . . . D 306 VAL CA . 18379 1 1105 . 4 2 6 6 VAL CB C 13 35.210 . . 1 . . . D 306 VAL CB . 18379 1 1106 . 4 2 6 6 VAL CG1 C 13 21.677 . . 1 . . . D 306 VAL CG1 . 18379 1 1107 . 4 2 6 6 VAL CG2 C 13 20.519 . . 1 . . . D 306 VAL CG2 . 18379 1 1108 . 4 2 6 6 VAL N N 15 122.199 . . 1 . . . D 306 VAL N . 18379 1 1109 . 4 2 7 7 THR H H 1 8.306 . . 1 . . . D 307 THR H . 18379 1 1110 . 4 2 7 7 THR HA H 1 4.824 . . 1 . . . D 307 THR HA . 18379 1 1111 . 4 2 7 7 THR HB H 1 3.836 . . 1 . . . D 307 THR HB . 18379 1 1112 . 4 2 7 7 THR CA C 13 62.019 . . 1 . . . D 307 THR CA . 18379 1 1113 . 4 2 7 7 THR CB C 13 69.679 . . 1 . . . D 307 THR CB . 18379 1 1114 . 4 2 7 7 THR CG2 C 13 21.064 . . 1 . . . D 307 THR CG2 . 18379 1 1115 . 4 2 7 7 THR N N 15 123.431 . . 1 . . . D 307 THR N . 18379 1 1116 . 4 2 8 8 ILE H H 1 8.772 . . 1 . . . D 308 ILE H . 18379 1 1117 . 4 2 8 8 ILE HA H 1 3.908 . . 1 . . . D 308 ILE HA . 18379 1 1118 . 4 2 8 8 ILE HB H 1 2.087 . . 1 . . . D 308 ILE HB . 18379 1 1119 . 4 2 8 8 ILE HD11 H 1 0.701 . . 1 . . . D 308 ILE HD11 . 18379 1 1120 . 4 2 8 8 ILE HD12 H 1 0.701 . . 1 . . . D 308 ILE HD12 . 18379 1 1121 . 4 2 8 8 ILE HD13 H 1 0.701 . . 1 . . . D 308 ILE HD13 . 18379 1 1122 . 4 2 8 8 ILE CA C 13 62.003 . . 1 . . . D 308 ILE CA . 18379 1 1123 . 4 2 8 8 ILE CB C 13 37.381 . . 1 . . . D 308 ILE CB . 18379 1 1124 . 4 2 8 8 ILE CG1 C 13 27.702 . . 1 . . . D 308 ILE CG1 . 18379 1 1125 . 4 2 8 8 ILE CG2 C 13 17.456 . . 1 . . . D 308 ILE CG2 . 18379 1 1126 . 4 2 8 8 ILE CD1 C 13 13.524 . . 1 . . . D 308 ILE CD1 . 18379 1 1127 . 4 2 8 8 ILE N N 15 127.284 . . 1 . . . D 308 ILE N . 18379 1 1128 . 4 2 9 9 THR H H 1 8.530 . . 1 . . . D 309 THR H . 18379 1 1129 . 4 2 9 9 THR HA H 1 4.486 . . 1 . . . D 309 THR HA . 18379 1 1130 . 4 2 9 9 THR HB H 1 4.380 . . 1 . . . D 309 THR HB . 18379 1 1131 . 4 2 9 9 THR CA C 13 61.526 . . 1 . . . D 309 THR CA . 18379 1 1132 . 4 2 9 9 THR CB C 13 69.465 . . 1 . . . D 309 THR CB . 18379 1 1133 . 4 2 9 9 THR CG2 C 13 21.766 . . 1 . . . D 309 THR CG2 . 18379 1 1134 . 4 2 9 9 THR N N 15 121.688 . . 1 . . . D 309 THR N . 18379 1 1135 . 4 2 10 10 ALA H H 1 7.615 . . 1 . . . D 310 ALA H . 18379 1 1136 . 4 2 10 10 ALA HA H 1 4.475 . . 1 . . . D 310 ALA HA . 18379 1 1137 . 4 2 10 10 ALA CA C 13 50.974 . . 1 . . . D 310 ALA CA . 18379 1 1138 . 4 2 10 10 ALA CB C 13 18.213 . . 1 . . . D 310 ALA CB . 18379 1 1139 . 4 2 10 10 ALA N N 15 131.267 . . 1 . . . D 310 ALA N . 18379 1 1140 . 4 2 11 11 PRO HA H 1 4.130 . . 1 . . . D 311 PRO HA . 18379 1 1141 . 4 2 11 11 PRO HB2 H 1 2.313 . . 1 . . . D 311 PRO HB2 . 18379 1 1142 . 4 2 11 11 PRO HB3 H 1 1.877 . . 1 . . . D 311 PRO HB3 . 18379 1 1143 . 4 2 11 11 PRO HG2 H 1 2.079 . . 1 . . . D 311 PRO HG2 . 18379 1 1144 . 4 2 11 11 PRO HG3 H 1 2.079 . . 1 . . . D 311 PRO HG3 . 18379 1 1145 . 4 2 11 11 PRO HD2 H 1 3.888 . . 1 . . . D 311 PRO HD2 . 18379 1 1146 . 4 2 11 11 PRO HD3 H 1 3.888 . . 1 . . . D 311 PRO HD3 . 18379 1 1147 . 4 2 11 11 PRO CA C 13 65.305 . . 1 . . . D 311 PRO CA . 18379 1 1148 . 4 2 11 11 PRO CB C 13 32.111 . . 1 . . . D 311 PRO CB . 18379 1 1149 . 4 2 11 11 PRO CG C 13 27.713 . . 1 . . . D 311 PRO CG . 18379 1 1150 . 4 2 11 11 PRO CD C 13 51.031 . . 1 . . . D 311 PRO CD . 18379 1 1151 . 4 2 12 12 ASN H H 1 8.863 . . 1 . . . D 312 ASN H . 18379 1 1152 . 4 2 12 12 ASN HA H 1 4.829 . . 1 . . . D 312 ASN HA . 18379 1 1153 . 4 2 12 12 ASN HB2 H 1 2.684 . . 1 . . . D 312 ASN HB2 . 18379 1 1154 . 4 2 12 12 ASN HB3 H 1 2.849 . . 1 . . . D 312 ASN HB3 . 18379 1 1155 . 4 2 12 12 ASN CA C 13 52.752 . . 1 . . . D 312 ASN CA . 18379 1 1156 . 4 2 12 12 ASN CB C 13 38.738 . . 1 . . . D 312 ASN CB . 18379 1 1157 . 4 2 12 12 ASN N N 15 115.324 . . 1 . . . D 312 ASN N . 18379 1 1158 . 4 2 13 13 GLY H H 1 8.028 . . 1 . . . D 313 GLY H . 18379 1 1159 . 4 2 13 13 GLY HA2 H 1 3.353 . . 1 . . . D 313 GLY HA2 . 18379 1 1160 . 4 2 13 13 GLY HA3 H 1 4.154 . . 1 . . . D 313 GLY HA3 . 18379 1 1161 . 4 2 13 13 GLY CA C 13 45.182 . . 1 . . . D 313 GLY CA . 18379 1 1162 . 4 2 13 13 GLY N N 15 107.372 . . 1 . . . D 313 GLY N . 18379 1 1163 . 4 2 14 14 LEU H H 1 8.270 . . 1 . . . D 314 LEU H . 18379 1 1164 . 4 2 14 14 LEU HA H 1 4.453 . . 1 . . . D 314 LEU HA . 18379 1 1165 . 4 2 14 14 LEU HB2 H 1 1.030 . . 1 . . . D 314 LEU HB2 . 18379 1 1166 . 4 2 14 14 LEU HB3 H 1 1.940 . . 1 . . . D 314 LEU HB3 . 18379 1 1167 . 4 2 14 14 LEU HG H 1 1.187 . . 1 . . . D 314 LEU HG . 18379 1 1168 . 4 2 14 14 LEU HD11 H 1 0.636 . . 1 . . . D 314 LEU HD11 . 18379 1 1169 . 4 2 14 14 LEU HD12 H 1 0.636 . . 1 . . . D 314 LEU HD12 . 18379 1 1170 . 4 2 14 14 LEU HD13 H 1 0.636 . . 1 . . . D 314 LEU HD13 . 18379 1 1171 . 4 2 14 14 LEU HD21 H 1 0.459 . . 1 . . . D 314 LEU HD21 . 18379 1 1172 . 4 2 14 14 LEU HD22 H 1 0.459 . . 1 . . . D 314 LEU HD22 . 18379 1 1173 . 4 2 14 14 LEU HD23 H 1 0.459 . . 1 . . . D 314 LEU HD23 . 18379 1 1174 . 4 2 14 14 LEU CA C 13 53.395 . . 1 . . . D 314 LEU CA . 18379 1 1175 . 4 2 14 14 LEU CB C 13 40.823 . . 1 . . . D 314 LEU CB . 18379 1 1176 . 4 2 14 14 LEU CG C 13 28.193 . . 1 . . . D 314 LEU CG . 18379 1 1177 . 4 2 14 14 LEU CD1 C 13 24.382 . . 1 . . . D 314 LEU CD1 . 18379 1 1178 . 4 2 14 14 LEU CD2 C 13 25.280 . . 1 . . . D 314 LEU CD2 . 18379 1 1179 . 4 2 14 14 LEU N N 15 124.337 . . 1 . . . D 314 LEU N . 18379 1 1180 . 4 2 15 15 HIS H H 1 6.735 . . 1 . . . D 315 HIS H . 18379 1 1181 . 4 2 15 15 HIS HA H 1 4.744 . . 1 . . . D 315 HIS HA . 18379 1 1182 . 4 2 15 15 HIS HB2 H 1 3.171 . . 1 . . . D 315 HIS HB2 . 18379 1 1183 . 4 2 15 15 HIS HB3 H 1 3.532 . . 1 . . . D 315 HIS HB3 . 18379 1 1184 . 4 2 15 15 HIS HD2 H 1 7.145 . . 1 . . . D 315 HIS HD2 . 18379 1 1185 . 4 2 15 15 HIS CA C 13 54.680 . . 1 . . . D 315 HIS CA . 18379 1 1186 . 4 2 15 15 HIS CB C 13 29.646 . . 1 . . . D 315 HIS CB . 18379 1 1187 . 4 2 15 15 HIS CD2 C 13 119.697 . . 1 . . . D 315 HIS CD2 . 18379 1 1188 . 4 2 15 15 HIS N N 15 120.117 . . 1 . . . D 315 HIS N . 18379 1 1189 . 4 2 16 16 THR H H 1 8.220 . . 1 . . . D 316 THR H . 18379 1 1190 . 4 2 16 16 THR CG2 C 13 22.697 . . 1 . . . D 316 THR CG2 . 18379 1 1191 . 4 2 16 16 THR N N 15 114.368 . . 1 . . . D 316 THR N . 18379 1 1192 . 4 2 17 17 ARG H H 1 8.604 . . 1 . . . D 317 ARG H . 18379 1 1193 . 4 2 17 17 ARG HA H 1 4.309 . . 1 . . . D 317 ARG HA . 18379 1 1194 . 4 2 17 17 ARG HB2 H 1 1.966 . . 1 . . . D 317 ARG HB2 . 18379 1 1195 . 4 2 17 17 ARG HB3 H 1 1.920 . . 1 . . . D 317 ARG HB3 . 18379 1 1196 . 4 2 17 17 ARG HG2 H 1 1.594 . . 1 . . . D 317 ARG HG2 . 18379 1 1197 . 4 2 17 17 ARG HG3 H 1 1.784 . . 1 . . . D 317 ARG HG3 . 18379 1 1198 . 4 2 17 17 ARG HD2 H 1 3.267 . . 1 . . . D 317 ARG HD2 . 18379 1 1199 . 4 2 17 17 ARG HD3 H 1 3.302 . . 1 . . . D 317 ARG HD3 . 18379 1 1200 . 4 2 17 17 ARG CA C 13 61.555 . . 1 . . . D 317 ARG CA . 18379 1 1201 . 4 2 17 17 ARG CB C 13 27.405 . . 1 . . . D 317 ARG CB . 18379 1 1202 . 4 2 17 17 ARG CG C 13 27.633 . . 1 . . . D 317 ARG CG . 18379 1 1203 . 4 2 17 17 ARG CD C 13 43.499 . . 1 . . . D 317 ARG CD . 18379 1 1204 . 4 2 17 17 ARG N N 15 118.975 . . 1 . . . D 317 ARG N . 18379 1 1205 . 4 2 18 18 PRO HA H 1 4.483 . . 1 . . . D 318 PRO HA . 18379 1 1206 . 4 2 18 18 PRO HB2 H 1 1.683 . . 1 . . . D 318 PRO HB2 . 18379 1 1207 . 4 2 18 18 PRO HB3 H 1 2.139 . . 1 . . . D 318 PRO HB3 . 18379 1 1208 . 4 2 18 18 PRO CA C 13 65.177 . . 1 . . . D 318 PRO CA . 18379 1 1209 . 4 2 18 18 PRO CB C 13 31.262 . . 1 . . . D 318 PRO CB . 18379 1 1210 . 4 2 19 19 ALA H H 1 8.404 . . 1 . . . D 319 ALA H . 18379 1 1211 . 4 2 19 19 ALA HA H 1 3.798 . . 1 . . . D 319 ALA HA . 18379 1 1212 . 4 2 19 19 ALA CA C 13 55.718 . . 1 . . . D 319 ALA CA . 18379 1 1213 . 4 2 19 19 ALA CB C 13 17.611 . . 1 . . . D 319 ALA CB . 18379 1 1214 . 4 2 19 19 ALA N N 15 122.386 . . 1 . . . D 319 ALA N . 18379 1 1215 . 4 2 20 20 ALA H H 1 8.378 . . 1 . . . D 320 ALA H . 18379 1 1216 . 4 2 20 20 ALA HA H 1 4.010 . . 1 . . . D 320 ALA HA . 18379 1 1217 . 4 2 20 20 ALA CA C 13 55.198 . . 1 . . . D 320 ALA CA . 18379 1 1218 . 4 2 20 20 ALA CB C 13 17.559 . . 1 . . . D 320 ALA CB . 18379 1 1219 . 4 2 20 20 ALA N N 15 120.093 . . 1 . . . D 320 ALA N . 18379 1 1220 . 4 2 21 21 GLN H H 1 7.534 . . 1 . . . D 321 GLN H . 18379 1 1221 . 4 2 21 21 GLN HA H 1 3.962 . . 1 . . . D 321 GLN HA . 18379 1 1222 . 4 2 21 21 GLN HB2 H 1 2.203 . . 1 . . . D 321 GLN HB2 . 18379 1 1223 . 4 2 21 21 GLN HB3 H 1 2.171 . . 1 . . . D 321 GLN HB3 . 18379 1 1224 . 4 2 21 21 GLN HG2 H 1 2.478 . . 1 . . . D 321 GLN HG2 . 18379 1 1225 . 4 2 21 21 GLN HG3 H 1 2.384 . . 1 . . . D 321 GLN HG3 . 18379 1 1226 . 4 2 21 21 GLN CA C 13 59.094 . . 1 . . . D 321 GLN CA . 18379 1 1227 . 4 2 21 21 GLN CB C 13 28.365 . . 1 . . . D 321 GLN CB . 18379 1 1228 . 4 2 21 21 GLN CG C 13 33.687 . . 1 . . . D 321 GLN CG . 18379 1 1229 . 4 2 21 21 GLN N N 15 119.279 . . 1 . . . D 321 GLN N . 18379 1 1230 . 4 2 22 22 PHE H H 1 8.497 . . 1 . . . D 322 PHE H . 18379 1 1231 . 4 2 22 22 PHE HA H 1 3.879 . . 1 . . . D 322 PHE HA . 18379 1 1232 . 4 2 22 22 PHE HB2 H 1 3.553 . . 1 . . . D 322 PHE HB2 . 18379 1 1233 . 4 2 22 22 PHE HB3 H 1 2.960 . . 1 . . . D 322 PHE HB3 . 18379 1 1234 . 4 2 22 22 PHE HD1 H 1 7.088 . . 1 . . . D 322 PHE HD1 . 18379 1 1235 . 4 2 22 22 PHE HD2 H 1 7.088 . . 1 . . . D 322 PHE HD2 . 18379 1 1236 . 4 2 22 22 PHE CA C 13 62.156 . . 1 . . . D 322 PHE CA . 18379 1 1237 . 4 2 22 22 PHE CB C 13 39.426 . . 1 . . . D 322 PHE CB . 18379 1 1238 . 4 2 22 22 PHE CD1 C 13 132.206 . . 1 . . . D 322 PHE CD1 . 18379 1 1239 . 4 2 22 22 PHE CD2 C 13 132.206 . . 1 . . . D 322 PHE CD2 . 18379 1 1240 . 4 2 22 22 PHE CE1 C 13 131.245 . . 1 . . . D 322 PHE CE1 . 18379 1 1241 . 4 2 22 22 PHE CE2 C 13 131.245 . . 1 . . . D 322 PHE CE2 . 18379 1 1242 . 4 2 22 22 PHE N N 15 122.582 . . 1 . . . D 322 PHE N . 18379 1 1243 . 4 2 23 23 VAL H H 1 8.447 . . 1 . . . D 323 VAL H . 18379 1 1244 . 4 2 23 23 VAL HA H 1 4.131 . . 1 . . . D 323 VAL HA . 18379 1 1245 . 4 2 23 23 VAL HB H 1 2.065 . . 1 . . . D 323 VAL HB . 18379 1 1246 . 4 2 23 23 VAL HG11 H 1 1.106 . . 1 . . . D 323 VAL HG11 . 18379 1 1247 . 4 2 23 23 VAL HG12 H 1 1.106 . . 1 . . . D 323 VAL HG12 . 18379 1 1248 . 4 2 23 23 VAL HG13 H 1 1.106 . . 1 . . . D 323 VAL HG13 . 18379 1 1249 . 4 2 23 23 VAL HG21 H 1 0.861 . . 1 . . . D 323 VAL HG21 . 18379 1 1250 . 4 2 23 23 VAL HG22 H 1 0.861 . . 1 . . . D 323 VAL HG22 . 18379 1 1251 . 4 2 23 23 VAL HG23 H 1 0.861 . . 1 . . . D 323 VAL HG23 . 18379 1 1252 . 4 2 23 23 VAL CA C 13 65.234 . . 1 . . . D 323 VAL CA . 18379 1 1253 . 4 2 23 23 VAL CB C 13 32.112 . . 1 . . . D 323 VAL CB . 18379 1 1254 . 4 2 23 23 VAL CG1 C 13 22.767 . . 1 . . . D 323 VAL CG1 . 18379 1 1255 . 4 2 23 23 VAL CG2 C 13 21.686 . . 1 . . . D 323 VAL CG2 . 18379 1 1256 . 4 2 23 23 VAL N N 15 120.113 . . 1 . . . D 323 VAL N . 18379 1 1257 . 4 2 24 24 LYS H H 1 7.942 . . 1 . . . D 324 LYS H . 18379 1 1258 . 4 2 24 24 LYS HA H 1 3.805 . . 1 . . . D 324 LYS HA . 18379 1 1259 . 4 2 24 24 LYS HB2 H 1 1.895 . . 1 . . . D 324 LYS HB2 . 18379 1 1260 . 4 2 24 24 LYS HB3 H 1 1.895 . . 1 . . . D 324 LYS HB3 . 18379 1 1261 . 4 2 24 24 LYS HG2 H 1 1.595 . . 1 . . . D 324 LYS HG2 . 18379 1 1262 . 4 2 24 24 LYS HG3 H 1 1.314 . . 1 . . . D 324 LYS HG3 . 18379 1 1263 . 4 2 24 24 LYS HD2 H 1 1.642 . . 1 . . . D 324 LYS HD2 . 18379 1 1264 . 4 2 24 24 LYS HD3 H 1 1.642 . . 1 . . . D 324 LYS HD3 . 18379 1 1265 . 4 2 24 24 LYS CA C 13 60.199 . . 1 . . . D 324 LYS CA . 18379 1 1266 . 4 2 24 24 LYS CB C 13 32.690 . . 1 . . . D 324 LYS CB . 18379 1 1267 . 4 2 24 24 LYS CG C 13 25.763 . . 1 . . . D 324 LYS CG . 18379 1 1268 . 4 2 24 24 LYS CD C 13 29.393 . . 1 . . . D 324 LYS CD . 18379 1 1269 . 4 2 24 24 LYS CE C 13 42.175 . . 1 . . . D 324 LYS CE . 18379 1 1270 . 4 2 24 24 LYS N N 15 119.928 . . 1 . . . D 324 LYS N . 18379 1 1271 . 4 2 25 25 GLU H H 1 8.029 . . 1 . . . D 325 GLU H . 18379 1 1272 . 4 2 25 25 GLU HA H 1 3.942 . . 1 . . . D 325 GLU HA . 18379 1 1273 . 4 2 25 25 GLU HB2 H 1 1.962 . . 1 . . . D 325 GLU HB2 . 18379 1 1274 . 4 2 25 25 GLU HB3 H 1 1.962 . . 1 . . . D 325 GLU HB3 . 18379 1 1275 . 4 2 25 25 GLU HG2 H 1 2.509 . . 1 . . . D 325 GLU HG2 . 18379 1 1276 . 4 2 25 25 GLU HG3 H 1 2.322 . . 1 . . . D 325 GLU HG3 . 18379 1 1277 . 4 2 25 25 GLU CA C 13 58.829 . . 1 . . . D 325 GLU CA . 18379 1 1278 . 4 2 25 25 GLU CB C 13 28.983 . . 1 . . . D 325 GLU CB . 18379 1 1279 . 4 2 25 25 GLU CG C 13 37.176 . . 1 . . . D 325 GLU CG . 18379 1 1280 . 4 2 25 25 GLU N N 15 118.058 . . 1 . . . D 325 GLU N . 18379 1 1281 . 4 2 26 26 ALA H H 1 8.837 . . 1 . . . D 326 ALA H . 18379 1 1282 . 4 2 26 26 ALA HA H 1 3.930 . . 1 . . . D 326 ALA HA . 18379 1 1283 . 4 2 26 26 ALA CA C 13 55.533 . . 1 . . . D 326 ALA CA . 18379 1 1284 . 4 2 26 26 ALA CB C 13 18.578 . . 1 . . . D 326 ALA CB . 18379 1 1285 . 4 2 26 26 ALA N N 15 125.662 . . 1 . . . D 326 ALA N . 18379 1 1286 . 4 2 27 27 LYS H H 1 8.036 . . 1 . . . D 327 LYS H . 18379 1 1287 . 4 2 27 27 LYS HA H 1 3.880 . . 1 . . . D 327 LYS HA . 18379 1 1288 . 4 2 27 27 LYS HB2 H 1 1.939 . . 1 . . . D 327 LYS HB2 . 18379 1 1289 . 4 2 27 27 LYS HB3 H 1 1.939 . . 1 . . . D 327 LYS HB3 . 18379 1 1290 . 4 2 27 27 LYS HG2 H 1 1.484 . . 1 . . . D 327 LYS HG2 . 18379 1 1291 . 4 2 27 27 LYS HG3 H 1 1.484 . . 1 . . . D 327 LYS HG3 . 18379 1 1292 . 4 2 27 27 LYS HD2 H 1 1.727 . . 1 . . . D 327 LYS HD2 . 18379 1 1293 . 4 2 27 27 LYS HD3 H 1 1.727 . . 1 . . . D 327 LYS HD3 . 18379 1 1294 . 4 2 27 27 LYS CA C 13 59.161 . . 1 . . . D 327 LYS CA . 18379 1 1295 . 4 2 27 27 LYS CB C 13 32.983 . . 1 . . . D 327 LYS CB . 18379 1 1296 . 4 2 27 27 LYS CG C 13 26.963 . . 1 . . . D 327 LYS CG . 18379 1 1297 . 4 2 27 27 LYS CD C 13 30.535 . . 1 . . . D 327 LYS CD . 18379 1 1298 . 4 2 27 27 LYS CE C 13 41.663 . . 1 . . . D 327 LYS CE . 18379 1 1299 . 4 2 27 27 LYS N N 15 113.329 . . 1 . . . D 327 LYS N . 18379 1 1300 . 4 2 28 28 GLY H H 1 7.541 . . 1 . . . D 328 GLY H . 18379 1 1301 . 4 2 28 28 GLY CA C 13 45.161 . . 1 . . . D 328 GLY CA . 18379 1 1302 . 4 2 28 28 GLY N N 15 106.572 . . 1 . . . D 328 GLY N . 18379 1 1303 . 4 2 29 29 PHE H H 1 7.375 . . 1 . . . D 329 PHE H . 18379 1 1304 . 4 2 29 29 PHE HA H 1 4.690 . . 1 . . . D 329 PHE HA . 18379 1 1305 . 4 2 29 29 PHE HB2 H 1 2.740 . . 1 . . . D 329 PHE HB2 . 18379 1 1306 . 4 2 29 29 PHE HB3 H 1 2.740 . . 1 . . . D 329 PHE HB3 . 18379 1 1307 . 4 2 29 29 PHE HD1 H 1 7.263 . . 1 . . . D 329 PHE HD1 . 18379 1 1308 . 4 2 29 29 PHE HD2 H 1 7.263 . . 1 . . . D 329 PHE HD2 . 18379 1 1309 . 4 2 29 29 PHE CA C 13 57.434 . . 1 . . . D 329 PHE CA . 18379 1 1310 . 4 2 29 29 PHE CB C 13 40.300 . . 1 . . . D 329 PHE CB . 18379 1 1311 . 4 2 29 29 PHE CD1 C 13 132.616 . . 1 . . . D 329 PHE CD1 . 18379 1 1312 . 4 2 29 29 PHE CD2 C 13 132.616 . . 1 . . . D 329 PHE CD2 . 18379 1 1313 . 4 2 29 29 PHE CE1 C 13 130.948 . . 1 . . . D 329 PHE CE1 . 18379 1 1314 . 4 2 29 29 PHE CE2 C 13 130.948 . . 1 . . . D 329 PHE CE2 . 18379 1 1315 . 4 2 29 29 PHE N N 15 120.541 . . 1 . . . D 329 PHE N . 18379 1 1316 . 4 2 30 30 THR H H 1 11.016 . . 1 . . . D 330 THR H . 18379 1 1317 . 4 2 30 30 THR HA H 1 4.125 . . 1 . . . D 330 THR HA . 18379 1 1318 . 4 2 30 30 THR HB H 1 4.197 . . 1 . . . D 330 THR HB . 18379 1 1319 . 4 2 30 30 THR CA C 13 64.042 . . 1 . . . D 330 THR CA . 18379 1 1320 . 4 2 30 30 THR CB C 13 69.142 . . 1 . . . D 330 THR CB . 18379 1 1321 . 4 2 30 30 THR CG2 C 13 21.938 . . 1 . . . D 330 THR CG2 . 18379 1 1322 . 4 2 30 30 THR N N 15 119.649 . . 1 . . . D 330 THR N . 18379 1 1323 . 4 2 31 31 SER H H 1 9.196 . . 1 . . . D 331 SER H . 18379 1 1324 . 4 2 31 31 SER HA H 1 4.379 . . 1 . . . D 331 SER HA . 18379 1 1325 . 4 2 31 31 SER HB2 H 1 3.493 . . 1 . . . D 331 SER HB2 . 18379 1 1326 . 4 2 31 31 SER HB3 H 1 3.168 . . 1 . . . D 331 SER HB3 . 18379 1 1327 . 4 2 31 31 SER CA C 13 61.356 . . 1 . . . D 331 SER CA . 18379 1 1328 . 4 2 31 31 SER CB C 13 65.564 . . 1 . . . D 331 SER CB . 18379 1 1329 . 4 2 31 31 SER N N 15 120.899 . . 1 . . . D 331 SER N . 18379 1 1330 . 4 2 32 32 GLU H H 1 7.870 . . 1 . . . D 332 GLU H . 18379 1 1331 . 4 2 32 32 GLU HA H 1 4.402 . . 1 . . . D 332 GLU HA . 18379 1 1332 . 4 2 32 32 GLU HB2 H 1 2.029 . . 1 . . . D 332 GLU HB2 . 18379 1 1333 . 4 2 32 32 GLU HB3 H 1 2.029 . . 1 . . . D 332 GLU HB3 . 18379 1 1334 . 4 2 32 32 GLU HG2 H 1 2.333 . . 1 . . . D 332 GLU HG2 . 18379 1 1335 . 4 2 32 32 GLU HG3 H 1 2.231 . . 1 . . . D 332 GLU HG3 . 18379 1 1336 . 4 2 32 32 GLU CA C 13 56.062 . . 1 . . . D 332 GLU CA . 18379 1 1337 . 4 2 32 32 GLU CB C 13 30.160 . . 1 . . . D 332 GLU CB . 18379 1 1338 . 4 2 32 32 GLU CG C 13 36.110 . . 1 . . . D 332 GLU CG . 18379 1 1339 . 4 2 32 32 GLU N N 15 121.999 . . 1 . . . D 332 GLU N . 18379 1 1340 . 4 2 33 33 ILE H H 1 9.133 . . 1 . . . D 333 ILE H . 18379 1 1341 . 4 2 33 33 ILE HA H 1 5.089 . . 1 . . . D 333 ILE HA . 18379 1 1342 . 4 2 33 33 ILE HB H 1 1.572 . . 1 . . . D 333 ILE HB . 18379 1 1343 . 4 2 33 33 ILE HD11 H 1 0.788 . . 1 . . . D 333 ILE HD11 . 18379 1 1344 . 4 2 33 33 ILE HD12 H 1 0.788 . . 1 . . . D 333 ILE HD12 . 18379 1 1345 . 4 2 33 33 ILE HD13 H 1 0.788 . . 1 . . . D 333 ILE HD13 . 18379 1 1346 . 4 2 33 33 ILE CA C 13 60.513 . . 1 . . . D 333 ILE CA . 18379 1 1347 . 4 2 33 33 ILE CB C 13 41.969 . . 1 . . . D 333 ILE CB . 18379 1 1348 . 4 2 33 33 ILE CG1 C 13 26.320 . . 1 . . . D 333 ILE CG1 . 18379 1 1349 . 4 2 33 33 ILE CG2 C 13 18.365 . . 1 . . . D 333 ILE CG2 . 18379 1 1350 . 4 2 33 33 ILE CD1 C 13 16.303 . . 1 . . . D 333 ILE CD1 . 18379 1 1351 . 4 2 33 33 ILE N N 15 129.906 . . 1 . . . D 333 ILE N . 18379 1 1352 . 4 2 34 34 THR H H 1 9.741 . . 1 . . . D 334 THR H . 18379 1 1353 . 4 2 34 34 THR HA H 1 4.911 . . 1 . . . D 334 THR HA . 18379 1 1354 . 4 2 34 34 THR HB H 1 3.850 . . 1 . . . D 334 THR HB . 18379 1 1355 . 4 2 34 34 THR CA C 13 61.359 . . 1 . . . D 334 THR CA . 18379 1 1356 . 4 2 34 34 THR CB C 13 71.537 . . 1 . . . D 334 THR CB . 18379 1 1357 . 4 2 34 34 THR CG2 C 13 21.725 . . 1 . . . D 334 THR CG2 . 18379 1 1358 . 4 2 34 34 THR N N 15 125.969 . . 1 . . . D 334 THR N . 18379 1 1359 . 4 2 35 35 VAL H H 1 9.304 . . 1 . . . D 335 VAL H . 18379 1 1360 . 4 2 35 35 VAL HA H 1 4.851 . . 1 . . . D 335 VAL HA . 18379 1 1361 . 4 2 35 35 VAL HB H 1 1.804 . . 1 . . . D 335 VAL HB . 18379 1 1362 . 4 2 35 35 VAL HG11 H 1 0.989 . . 1 . . . D 335 VAL HG11 . 18379 1 1363 . 4 2 35 35 VAL HG12 H 1 0.989 . . 1 . . . D 335 VAL HG12 . 18379 1 1364 . 4 2 35 35 VAL HG13 H 1 0.989 . . 1 . . . D 335 VAL HG13 . 18379 1 1365 . 4 2 35 35 VAL HG21 H 1 0.678 . . 1 . . . D 335 VAL HG21 . 18379 1 1366 . 4 2 35 35 VAL HG22 H 1 0.678 . . 1 . . . D 335 VAL HG22 . 18379 1 1367 . 4 2 35 35 VAL HG23 H 1 0.678 . . 1 . . . D 335 VAL HG23 . 18379 1 1368 . 4 2 35 35 VAL CA C 13 60.856 . . 1 . . . D 335 VAL CA . 18379 1 1369 . 4 2 35 35 VAL CB C 13 33.449 . . 1 . . . D 335 VAL CB . 18379 1 1370 . 4 2 35 35 VAL CG1 C 13 21.963 . . 1 . . . D 335 VAL CG1 . 18379 1 1371 . 4 2 35 35 VAL CG2 C 13 21.619 . . 1 . . . D 335 VAL CG2 . 18379 1 1372 . 4 2 35 35 VAL N N 15 126.978 . . 1 . . . D 335 VAL N . 18379 1 1373 . 4 2 36 36 THR H H 1 8.966 . . 1 . . . D 336 THR H . 18379 1 1374 . 4 2 36 36 THR HA H 1 5.436 . . 1 . . . D 336 THR HA . 18379 1 1375 . 4 2 36 36 THR HB H 1 3.745 . . 1 . . . D 336 THR HB . 18379 1 1376 . 4 2 36 36 THR CA C 13 60.973 . . 1 . . . D 336 THR CA . 18379 1 1377 . 4 2 36 36 THR CB C 13 71.058 . . 1 . . . D 336 THR CB . 18379 1 1378 . 4 2 36 36 THR CG2 C 13 20.680 . . 1 . . . D 336 THR CG2 . 18379 1 1379 . 4 2 36 36 THR N N 15 123.085 . . 1 . . . D 336 THR N . 18379 1 1380 . 4 2 37 37 SER H H 1 9.168 . . 1 . . . D 337 SER H . 18379 1 1381 . 4 2 37 37 SER HA H 1 4.747 . . 1 . . . D 337 SER HA . 18379 1 1382 . 4 2 37 37 SER HB2 H 1 3.634 . . 1 . . . D 337 SER HB2 . 18379 1 1383 . 4 2 37 37 SER HB3 H 1 3.634 . . 1 . . . D 337 SER HB3 . 18379 1 1384 . 4 2 37 37 SER CA C 13 56.628 . . 1 . . . D 337 SER CA . 18379 1 1385 . 4 2 37 37 SER CB C 13 65.239 . . 1 . . . D 337 SER CB . 18379 1 1386 . 4 2 37 37 SER N N 15 119.881 . . 1 . . . D 337 SER N . 18379 1 1387 . 4 2 38 38 ASN H H 1 9.919 . . 1 . . . D 338 ASN H . 18379 1 1388 . 4 2 38 38 ASN HA H 1 4.368 . . 1 . . . D 338 ASN HA . 18379 1 1389 . 4 2 38 38 ASN HB2 H 1 2.788 . . 1 . . . D 338 ASN HB2 . 18379 1 1390 . 4 2 38 38 ASN HB3 H 1 3.063 . . 1 . . . D 338 ASN HB3 . 18379 1 1391 . 4 2 38 38 ASN CA C 13 54.262 . . 1 . . . D 338 ASN CA . 18379 1 1392 . 4 2 38 38 ASN CB C 13 37.810 . . 1 . . . D 338 ASN CB . 18379 1 1393 . 4 2 38 38 ASN N N 15 128.649 . . 1 . . . D 338 ASN N . 18379 1 1394 . 4 2 39 39 GLY H H 1 8.658 . . 1 . . . D 339 GLY H . 18379 1 1395 . 4 2 39 39 GLY CA C 13 45.494 . . 1 . . . D 339 GLY CA . 18379 1 1396 . 4 2 39 39 GLY N N 15 103.969 . . 1 . . . D 339 GLY N . 18379 1 1397 . 4 2 40 40 LYS H H 1 7.963 . . 1 . . . D 340 LYS H . 18379 1 1398 . 4 2 40 40 LYS HA H 1 4.643 . . 1 . . . D 340 LYS HA . 18379 1 1399 . 4 2 40 40 LYS HB2 H 1 1.839 . . 1 . . . D 340 LYS HB2 . 18379 1 1400 . 4 2 40 40 LYS HB3 H 1 1.839 . . 1 . . . D 340 LYS HB3 . 18379 1 1401 . 4 2 40 40 LYS HG2 H 1 1.490 . . 1 . . . D 340 LYS HG2 . 18379 1 1402 . 4 2 40 40 LYS HG3 H 1 1.384 . . 1 . . . D 340 LYS HG3 . 18379 1 1403 . 4 2 40 40 LYS HD2 H 1 1.737 . . 1 . . . D 340 LYS HD2 . 18379 1 1404 . 4 2 40 40 LYS HD3 H 1 1.737 . . 1 . . . D 340 LYS HD3 . 18379 1 1405 . 4 2 40 40 LYS CA C 13 55.020 . . 1 . . . D 340 LYS CA . 18379 1 1406 . 4 2 40 40 LYS CB C 13 35.207 . . 1 . . . D 340 LYS CB . 18379 1 1407 . 4 2 40 40 LYS CG C 13 24.972 . . 1 . . . D 340 LYS CG . 18379 1 1408 . 4 2 40 40 LYS CD C 13 29.262 . . 1 . . . D 340 LYS CD . 18379 1 1409 . 4 2 40 40 LYS CE C 13 42.191 . . 1 . . . D 340 LYS CE . 18379 1 1410 . 4 2 40 40 LYS N N 15 124.053 . . 1 . . . D 340 LYS N . 18379 1 1411 . 4 2 41 41 SER H H 1 8.505 . . 1 . . . D 341 SER H . 18379 1 1412 . 4 2 41 41 SER HA H 1 5.791 . . 1 . . . D 341 SER HA . 18379 1 1413 . 4 2 41 41 SER HB2 H 1 3.605 . . 1 . . . D 341 SER HB2 . 18379 1 1414 . 4 2 41 41 SER HB3 H 1 3.489 . . 1 . . . D 341 SER HB3 . 18379 1 1415 . 4 2 41 41 SER CA C 13 57.009 . . 1 . . . D 341 SER CA . 18379 1 1416 . 4 2 41 41 SER CB C 13 66.620 . . 1 . . . D 341 SER CB . 18379 1 1417 . 4 2 41 41 SER N N 15 117.412 . . 1 . . . D 341 SER N . 18379 1 1418 . 4 2 42 42 ALA H H 1 9.161 . . 1 . . . D 342 ALA H . 18379 1 1419 . 4 2 42 42 ALA HA H 1 4.559 . . 1 . . . D 342 ALA HA . 18379 1 1420 . 4 2 42 42 ALA CA C 13 51.170 . . 1 . . . D 342 ALA CA . 18379 1 1421 . 4 2 42 42 ALA CB C 13 23.722 . . 1 . . . D 342 ALA CB . 18379 1 1422 . 4 2 42 42 ALA N N 15 124.299 . . 1 . . . D 342 ALA N . 18379 1 1423 . 4 2 43 43 SER H H 1 8.219 . . 1 . . . D 343 SER H . 18379 1 1424 . 4 2 43 43 SER HA H 1 4.789 . . 1 . . . D 343 SER HA . 18379 1 1425 . 4 2 43 43 SER HB2 H 1 4.096 . . 1 . . . D 343 SER HB2 . 18379 1 1426 . 4 2 43 43 SER HB3 H 1 3.677 . . 1 . . . D 343 SER HB3 . 18379 1 1427 . 4 2 43 43 SER CA C 13 57.203 . . 1 . . . D 343 SER CA . 18379 1 1428 . 4 2 43 43 SER CB C 13 64.046 . . 1 . . . D 343 SER CB . 18379 1 1429 . 4 2 43 43 SER N N 15 114.489 . . 1 . . . D 343 SER N . 18379 1 1430 . 4 2 44 44 ALA H H 1 8.415 . . 1 . . . D 344 ALA H . 18379 1 1431 . 4 2 44 44 ALA HA H 1 4.189 . . 1 . . . D 344 ALA HA . 18379 1 1432 . 4 2 44 44 ALA CA C 13 52.658 . . 1 . . . D 344 ALA CA . 18379 1 1433 . 4 2 44 44 ALA CB C 13 20.200 . . 1 . . . D 344 ALA CB . 18379 1 1434 . 4 2 44 44 ALA N N 15 127.163 . . 1 . . . D 344 ALA N . 18379 1 1435 . 4 2 45 45 LYS H H 1 7.687 . . 1 . . . D 345 LYS H . 18379 1 1436 . 4 2 45 45 LYS HA H 1 4.311 . . 1 . . . D 345 LYS HA . 18379 1 1437 . 4 2 45 45 LYS HB2 H 1 1.451 . . 1 . . . D 345 LYS HB2 . 18379 1 1438 . 4 2 45 45 LYS HB3 H 1 2.208 . . 1 . . . D 345 LYS HB3 . 18379 1 1439 . 4 2 45 45 LYS HG2 H 1 0.864 . . 1 . . . D 345 LYS HG2 . 18379 1 1440 . 4 2 45 45 LYS HD2 H 1 1.739 . . 1 . . . D 345 LYS HD2 . 18379 1 1441 . 4 2 45 45 LYS HD3 H 1 1.804 . . 1 . . . D 345 LYS HD3 . 18379 1 1442 . 4 2 45 45 LYS CA C 13 55.802 . . 1 . . . D 345 LYS CA . 18379 1 1443 . 4 2 45 45 LYS CB C 13 33.148 . . 1 . . . D 345 LYS CB . 18379 1 1444 . 4 2 45 45 LYS CG C 13 27.047 . . 1 . . . D 345 LYS CG . 18379 1 1445 . 4 2 45 45 LYS CD C 13 30.199 . . 1 . . . D 345 LYS CD . 18379 1 1446 . 4 2 45 45 LYS CE C 13 42.150 . . 1 . . . D 345 LYS CE . 18379 1 1447 . 4 2 45 45 LYS N N 15 108.619 . . 1 . . . D 345 LYS N . 18379 1 1448 . 4 2 46 46 SER H H 1 7.188 . . 1 . . . D 346 SER H . 18379 1 1449 . 4 2 46 46 SER HA H 1 5.110 . . 1 . . . D 346 SER HA . 18379 1 1450 . 4 2 46 46 SER HB2 H 1 3.867 . . 1 . . . D 346 SER HB2 . 18379 1 1451 . 4 2 46 46 SER HB3 H 1 3.867 . . 1 . . . D 346 SER HB3 . 18379 1 1452 . 4 2 46 46 SER CA C 13 55.051 . . 1 . . . D 346 SER CA . 18379 1 1453 . 4 2 46 46 SER CB C 13 64.795 . . 1 . . . D 346 SER CB . 18379 1 1454 . 4 2 46 46 SER N N 15 114.697 . . 1 . . . D 346 SER N . 18379 1 1455 . 4 2 47 47 LEU H H 1 8.980 . . 1 . . . D 347 LEU H . 18379 1 1456 . 4 2 47 47 LEU HA H 1 4.020 . . 1 . . . D 347 LEU HA . 18379 1 1457 . 4 2 47 47 LEU HB2 H 1 1.841 . . 1 . . . D 347 LEU HB2 . 18379 1 1458 . 4 2 47 47 LEU HB3 H 1 1.841 . . 1 . . . D 347 LEU HB3 . 18379 1 1459 . 4 2 47 47 LEU HG H 1 1.475 . . 1 . . . D 347 LEU HG . 18379 1 1460 . 4 2 47 47 LEU HD11 H 1 0.832 . . 1 . . . D 347 LEU HD11 . 18379 1 1461 . 4 2 47 47 LEU HD12 H 1 0.832 . . 1 . . . D 347 LEU HD12 . 18379 1 1462 . 4 2 47 47 LEU HD13 H 1 0.832 . . 1 . . . D 347 LEU HD13 . 18379 1 1463 . 4 2 47 47 LEU HD21 H 1 0.828 . . 1 . . . D 347 LEU HD21 . 18379 1 1464 . 4 2 47 47 LEU HD22 H 1 0.828 . . 1 . . . D 347 LEU HD22 . 18379 1 1465 . 4 2 47 47 LEU HD23 H 1 0.828 . . 1 . . . D 347 LEU HD23 . 18379 1 1466 . 4 2 47 47 LEU CA C 13 55.832 . . 1 . . . D 347 LEU CA . 18379 1 1467 . 4 2 47 47 LEU CB C 13 42.283 . . 1 . . . D 347 LEU CB . 18379 1 1468 . 4 2 47 47 LEU CG C 13 29.384 . . 1 . . . D 347 LEU CG . 18379 1 1469 . 4 2 47 47 LEU CD1 C 13 25.959 . . 1 . . . D 347 LEU CD1 . 18379 1 1470 . 4 2 47 47 LEU CD2 C 13 23.299 . . 1 . . . D 347 LEU CD2 . 18379 1 1471 . 4 2 47 47 LEU N N 15 131.759 . . 1 . . . D 347 LEU N . 18379 1 1472 . 4 2 48 48 PHE H H 1 8.385 . . 1 . . . D 348 PHE H . 18379 1 1473 . 4 2 48 48 PHE HA H 1 4.104 . . 1 . . . D 348 PHE HA . 18379 1 1474 . 4 2 48 48 PHE HB2 H 1 2.897 . . 1 . . . D 348 PHE HB2 . 18379 1 1475 . 4 2 48 48 PHE HB3 H 1 2.983 . . 1 . . . D 348 PHE HB3 . 18379 1 1476 . 4 2 48 48 PHE HD1 H 1 7.040 . . 1 . . . D 348 PHE HD1 . 18379 1 1477 . 4 2 48 48 PHE HD2 H 1 7.040 . . 1 . . . D 348 PHE HD2 . 18379 1 1478 . 4 2 48 48 PHE CA C 13 60.981 . . 1 . . . D 348 PHE CA . 18379 1 1479 . 4 2 48 48 PHE CB C 13 39.005 . . 1 . . . D 348 PHE CB . 18379 1 1480 . 4 2 48 48 PHE CD1 C 13 131.963 . . 1 . . . D 348 PHE CD1 . 18379 1 1481 . 4 2 48 48 PHE CD2 C 13 131.963 . . 1 . . . D 348 PHE CD2 . 18379 1 1482 . 4 2 48 48 PHE N N 15 116.329 . . 1 . . . D 348 PHE N . 18379 1 1483 . 4 2 49 49 LYS H H 1 7.833 . . 1 . . . D 349 LYS H . 18379 1 1484 . 4 2 49 49 LYS HA H 1 4.246 . . 1 . . . D 349 LYS HA . 18379 1 1485 . 4 2 49 49 LYS HB2 H 1 1.953 . . 1 . . . D 349 LYS HB2 . 18379 1 1486 . 4 2 49 49 LYS HB3 H 1 1.953 . . 1 . . . D 349 LYS HB3 . 18379 1 1487 . 4 2 49 49 LYS HG2 H 1 1.552 . . 1 . . . D 349 LYS HG2 . 18379 1 1488 . 4 2 49 49 LYS HG3 H 1 1.552 . . 1 . . . D 349 LYS HG3 . 18379 1 1489 . 4 2 49 49 LYS HD2 H 1 1.696 . . 1 . . . D 349 LYS HD2 . 18379 1 1490 . 4 2 49 49 LYS HD3 H 1 1.827 . . 1 . . . D 349 LYS HD3 . 18379 1 1491 . 4 2 49 49 LYS CA C 13 57.658 . . 1 . . . D 349 LYS CA . 18379 1 1492 . 4 2 49 49 LYS CB C 13 31.969 . . 1 . . . D 349 LYS CB . 18379 1 1493 . 4 2 49 49 LYS CG C 13 25.017 . . 1 . . . D 349 LYS CG . 18379 1 1494 . 4 2 49 49 LYS CD C 13 28.447 . . 1 . . . D 349 LYS CD . 18379 1 1495 . 4 2 49 49 LYS CE C 13 42.317 . . 1 . . . D 349 LYS CE . 18379 1 1496 . 4 2 49 49 LYS N N 15 117.450 . . 1 . . . D 349 LYS N . 18379 1 1497 . 4 2 50 50 LEU H H 1 8.670 . . 1 . . . D 350 LEU H . 18379 1 1498 . 4 2 50 50 LEU HA H 1 3.736 . . 1 . . . D 350 LEU HA . 18379 1 1499 . 4 2 50 50 LEU HB2 H 1 1.858 . . 1 . . . D 350 LEU HB2 . 18379 1 1500 . 4 2 50 50 LEU HB3 H 1 1.559 . . 1 . . . D 350 LEU HB3 . 18379 1 1501 . 4 2 50 50 LEU HG H 1 1.665 . . 1 . . . D 350 LEU HG . 18379 1 1502 . 4 2 50 50 LEU HD11 H 1 0.771 . . 1 . . . D 350 LEU HD11 . 18379 1 1503 . 4 2 50 50 LEU HD12 H 1 0.771 . . 1 . . . D 350 LEU HD12 . 18379 1 1504 . 4 2 50 50 LEU HD13 H 1 0.771 . . 1 . . . D 350 LEU HD13 . 18379 1 1505 . 4 2 50 50 LEU HD21 H 1 0.773 . . 1 . . . D 350 LEU HD21 . 18379 1 1506 . 4 2 50 50 LEU HD22 H 1 0.773 . . 1 . . . D 350 LEU HD22 . 18379 1 1507 . 4 2 50 50 LEU HD23 H 1 0.773 . . 1 . . . D 350 LEU HD23 . 18379 1 1508 . 4 2 50 50 LEU CA C 13 58.666 . . 1 . . . D 350 LEU CA . 18379 1 1509 . 4 2 50 50 LEU CB C 13 42.628 . . 1 . . . D 350 LEU CB . 18379 1 1510 . 4 2 50 50 LEU CG C 13 26.897 . . 1 . . . D 350 LEU CG . 18379 1 1511 . 4 2 50 50 LEU CD1 C 13 26.764 . . 1 . . . D 350 LEU CD1 . 18379 1 1512 . 4 2 50 50 LEU CD2 C 13 24.536 . . 1 . . . D 350 LEU CD2 . 18379 1 1513 . 4 2 50 50 LEU N N 15 125.234 . . 1 . . . D 350 LEU N . 18379 1 1514 . 4 2 51 51 GLN H H 1 7.867 . . 1 . . . D 351 GLN H . 18379 1 1515 . 4 2 51 51 GLN HA H 1 4.099 . . 1 . . . D 351 GLN HA . 18379 1 1516 . 4 2 51 51 GLN HB2 H 1 2.083 . . 1 . . . D 351 GLN HB2 . 18379 1 1517 . 4 2 51 51 GLN HB3 H 1 2.083 . . 1 . . . D 351 GLN HB3 . 18379 1 1518 . 4 2 51 51 GLN HG2 H 1 2.352 . . 1 . . . D 351 GLN HG2 . 18379 1 1519 . 4 2 51 51 GLN HG3 H 1 2.352 . . 1 . . . D 351 GLN HG3 . 18379 1 1520 . 4 2 51 51 GLN CA C 13 58.238 . . 1 . . . D 351 GLN CA . 18379 1 1521 . 4 2 51 51 GLN CB C 13 28.978 . . 1 . . . D 351 GLN CB . 18379 1 1522 . 4 2 51 51 GLN CG C 13 34.511 . . 1 . . . D 351 GLN CG . 18379 1 1523 . 4 2 51 51 GLN N N 15 112.289 . . 1 . . . D 351 GLN N . 18379 1 1524 . 4 2 52 52 THR H H 1 7.570 . . 1 . . . D 352 THR H . 18379 1 1525 . 4 2 52 52 THR CA C 13 63.555 . . 1 . . . D 352 THR CA . 18379 1 1526 . 4 2 52 52 THR CB C 13 70.209 . . 1 . . . D 352 THR CB . 18379 1 1527 . 4 2 52 52 THR CG2 C 13 21.494 . . 1 . . . D 352 THR CG2 . 18379 1 1528 . 4 2 52 52 THR N N 15 110.209 . . 1 . . . D 352 THR N . 18379 1 1529 . 4 2 53 53 LEU H H 1 7.516 . . 1 . . . D 353 LEU H . 18379 1 1530 . 4 2 53 53 LEU HA H 1 4.220 . . 1 . . . D 353 LEU HA . 18379 1 1531 . 4 2 53 53 LEU HB2 H 1 1.317 . . 1 . . . D 353 LEU HB2 . 18379 1 1532 . 4 2 53 53 LEU HB3 H 1 1.850 . . 1 . . . D 353 LEU HB3 . 18379 1 1533 . 4 2 53 53 LEU HG H 1 1.730 . . 1 . . . D 353 LEU HG . 18379 1 1534 . 4 2 53 53 LEU HD11 H 1 0.784 . . 1 . . . D 353 LEU HD11 . 18379 1 1535 . 4 2 53 53 LEU HD12 H 1 0.784 . . 1 . . . D 353 LEU HD12 . 18379 1 1536 . 4 2 53 53 LEU HD13 H 1 0.784 . . 1 . . . D 353 LEU HD13 . 18379 1 1537 . 4 2 53 53 LEU HD21 H 1 0.655 . . 1 . . . D 353 LEU HD21 . 18379 1 1538 . 4 2 53 53 LEU HD22 H 1 0.655 . . 1 . . . D 353 LEU HD22 . 18379 1 1539 . 4 2 53 53 LEU HD23 H 1 0.655 . . 1 . . . D 353 LEU HD23 . 18379 1 1540 . 4 2 53 53 LEU CA C 13 55.049 . . 1 . . . D 353 LEU CA . 18379 1 1541 . 4 2 53 53 LEU CB C 13 42.437 . . 1 . . . D 353 LEU CB . 18379 1 1542 . 4 2 53 53 LEU CG C 13 27.014 . . 1 . . . D 353 LEU CG . 18379 1 1543 . 4 2 53 53 LEU CD1 C 13 26.257 . . 1 . . . D 353 LEU CD1 . 18379 1 1544 . 4 2 53 53 LEU CD2 C 13 22.607 . . 1 . . . D 353 LEU CD2 . 18379 1 1545 . 4 2 53 53 LEU N N 15 121.706 . . 1 . . . D 353 LEU N . 18379 1 1546 . 4 2 54 54 GLY H H 1 8.492 . . 1 . . . D 354 GLY H . 18379 1 1547 . 4 2 54 54 GLY CA C 13 46.778 . . 1 . . . D 354 GLY CA . 18379 1 1548 . 4 2 54 54 GLY N N 15 108.885 . . 1 . . . D 354 GLY N . 18379 1 1549 . 4 2 55 55 LEU H H 1 8.504 . . 1 . . . D 355 LEU H . 18379 1 1550 . 4 2 55 55 LEU HA H 1 4.289 . . 1 . . . D 355 LEU HA . 18379 1 1551 . 4 2 55 55 LEU HB2 H 1 1.337 . . 1 . . . D 355 LEU HB2 . 18379 1 1552 . 4 2 55 55 LEU HB3 H 1 1.676 . . 1 . . . D 355 LEU HB3 . 18379 1 1553 . 4 2 55 55 LEU HG H 1 1.445 . . 1 . . . D 355 LEU HG . 18379 1 1554 . 4 2 55 55 LEU HD11 H 1 0.779 . . 1 . . . D 355 LEU HD11 . 18379 1 1555 . 4 2 55 55 LEU HD12 H 1 0.779 . . 1 . . . D 355 LEU HD12 . 18379 1 1556 . 4 2 55 55 LEU HD13 H 1 0.779 . . 1 . . . D 355 LEU HD13 . 18379 1 1557 . 4 2 55 55 LEU HD21 H 1 0.653 . . 1 . . . D 355 LEU HD21 . 18379 1 1558 . 4 2 55 55 LEU HD22 H 1 0.653 . . 1 . . . D 355 LEU HD22 . 18379 1 1559 . 4 2 55 55 LEU HD23 H 1 0.653 . . 1 . . . D 355 LEU HD23 . 18379 1 1560 . 4 2 55 55 LEU CA C 13 53.624 . . 1 . . . D 355 LEU CA . 18379 1 1561 . 4 2 55 55 LEU CB C 13 41.233 . . 1 . . . D 355 LEU CB . 18379 1 1562 . 4 2 55 55 LEU CG C 13 25.899 . . 1 . . . D 355 LEU CG . 18379 1 1563 . 4 2 55 55 LEU CD1 C 13 26.246 . . 1 . . . D 355 LEU CD1 . 18379 1 1564 . 4 2 55 55 LEU CD2 C 13 23.110 . . 1 . . . D 355 LEU CD2 . 18379 1 1565 . 4 2 55 55 LEU N N 15 127.042 . . 1 . . . D 355 LEU N . 18379 1 1566 . 4 2 56 56 THR H H 1 7.201 . . 1 . . . D 356 THR H . 18379 1 1567 . 4 2 56 56 THR HA H 1 4.220 . . 1 . . . D 356 THR HA . 18379 1 1568 . 4 2 56 56 THR HB H 1 4.336 . . 1 . . . D 356 THR HB . 18379 1 1569 . 4 2 56 56 THR CA C 13 60.623 . . 1 . . . D 356 THR CA . 18379 1 1570 . 4 2 56 56 THR CB C 13 70.600 . . 1 . . . D 356 THR CB . 18379 1 1571 . 4 2 56 56 THR CG2 C 13 22.483 . . 1 . . . D 356 THR CG2 . 18379 1 1572 . 4 2 56 56 THR N N 15 110.927 . . 1 . . . D 356 THR N . 18379 1 1573 . 4 2 57 57 GLN H H 1 8.957 . . 1 . . . D 357 GLN H . 18379 1 1574 . 4 2 57 57 GLN HA H 1 3.619 . . 1 . . . D 357 GLN HA . 18379 1 1575 . 4 2 57 57 GLN HB2 H 1 1.952 . . 1 . . . D 357 GLN HB2 . 18379 1 1576 . 4 2 57 57 GLN HB3 H 1 2.120 . . 1 . . . D 357 GLN HB3 . 18379 1 1577 . 4 2 57 57 GLN HG2 H 1 2.125 . . 1 . . . D 357 GLN HG2 . 18379 1 1578 . 4 2 57 57 GLN HG3 H 1 2.125 . . 1 . . . D 357 GLN HG3 . 18379 1 1579 . 4 2 57 57 GLN CA C 13 58.575 . . 1 . . . D 357 GLN CA . 18379 1 1580 . 4 2 57 57 GLN CB C 13 27.945 . . 1 . . . D 357 GLN CB . 18379 1 1581 . 4 2 57 57 GLN CG C 13 33.958 . . 1 . . . D 357 GLN CG . 18379 1 1582 . 4 2 57 57 GLN N N 15 123.061 . . 1 . . . D 357 GLN N . 18379 1 1583 . 4 2 58 58 GLY H H 1 9.321 . . 1 . . . D 358 GLY H . 18379 1 1584 . 4 2 58 58 GLY CA C 13 44.650 . . 1 . . . D 358 GLY CA . 18379 1 1585 . 4 2 58 58 GLY N N 15 116.728 . . 1 . . . D 358 GLY N . 18379 1 1586 . 4 2 59 59 THR H H 1 7.904 . . 1 . . . D 359 THR H . 18379 1 1587 . 4 2 59 59 THR HA H 1 4.007 . . 1 . . . D 359 THR HA . 18379 1 1588 . 4 2 59 59 THR HB H 1 4.038 . . 1 . . . D 359 THR HB . 18379 1 1589 . 4 2 59 59 THR CA C 13 64.372 . . 1 . . . D 359 THR CA . 18379 1 1590 . 4 2 59 59 THR CB C 13 69.436 . . 1 . . . D 359 THR CB . 18379 1 1591 . 4 2 59 59 THR CG2 C 13 21.998 . . 1 . . . D 359 THR CG2 . 18379 1 1592 . 4 2 59 59 THR N N 15 119.525 . . 1 . . . D 359 THR N . 18379 1 1593 . 4 2 60 60 VAL H H 1 8.679 . . 1 . . . D 360 VAL H . 18379 1 1594 . 4 2 60 60 VAL HA H 1 4.441 . . 1 . . . D 360 VAL HA . 18379 1 1595 . 4 2 60 60 VAL HB H 1 1.915 . . 1 . . . D 360 VAL HB . 18379 1 1596 . 4 2 60 60 VAL HG11 H 1 0.986 . . 1 . . . D 360 VAL HG11 . 18379 1 1597 . 4 2 60 60 VAL HG12 H 1 0.986 . . 1 . . . D 360 VAL HG12 . 18379 1 1598 . 4 2 60 60 VAL HG13 H 1 0.986 . . 1 . . . D 360 VAL HG13 . 18379 1 1599 . 4 2 60 60 VAL HG21 H 1 0.763 . . 1 . . . D 360 VAL HG21 . 18379 1 1600 . 4 2 60 60 VAL HG22 H 1 0.763 . . 1 . . . D 360 VAL HG22 . 18379 1 1601 . 4 2 60 60 VAL HG23 H 1 0.763 . . 1 . . . D 360 VAL HG23 . 18379 1 1602 . 4 2 60 60 VAL CA C 13 62.348 . . 1 . . . D 360 VAL CA . 18379 1 1603 . 4 2 60 60 VAL CB C 13 31.958 . . 1 . . . D 360 VAL CB . 18379 1 1604 . 4 2 60 60 VAL CG1 C 13 21.069 . . 1 . . . D 360 VAL CG1 . 18379 1 1605 . 4 2 60 60 VAL CG2 C 13 21.228 . . 1 . . . D 360 VAL CG2 . 18379 1 1606 . 4 2 60 60 VAL N N 15 128.880 . . 1 . . . D 360 VAL N . 18379 1 1607 . 4 2 61 61 VAL H H 1 9.272 . . 1 . . . D 361 VAL H . 18379 1 1608 . 4 2 61 61 VAL HA H 1 5.050 . . 1 . . . D 361 VAL HA . 18379 1 1609 . 4 2 61 61 VAL HB H 1 1.999 . . 1 . . . D 361 VAL HB . 18379 1 1610 . 4 2 61 61 VAL HG11 H 1 0.781 . . 1 . . . D 361 VAL HG11 . 18379 1 1611 . 4 2 61 61 VAL HG12 H 1 0.781 . . 1 . . . D 361 VAL HG12 . 18379 1 1612 . 4 2 61 61 VAL HG13 H 1 0.781 . . 1 . . . D 361 VAL HG13 . 18379 1 1613 . 4 2 61 61 VAL HG21 H 1 0.744 . . 1 . . . D 361 VAL HG21 . 18379 1 1614 . 4 2 61 61 VAL HG22 H 1 0.744 . . 1 . . . D 361 VAL HG22 . 18379 1 1615 . 4 2 61 61 VAL HG23 H 1 0.744 . . 1 . . . D 361 VAL HG23 . 18379 1 1616 . 4 2 61 61 VAL CA C 13 58.716 . . 1 . . . D 361 VAL CA . 18379 1 1617 . 4 2 61 61 VAL CB C 13 34.378 . . 1 . . . D 361 VAL CB . 18379 1 1618 . 4 2 61 61 VAL CG1 C 13 22.877 . . 1 . . . D 361 VAL CG1 . 18379 1 1619 . 4 2 61 61 VAL CG2 C 13 20.514 . . 1 . . . D 361 VAL CG2 . 18379 1 1620 . 4 2 61 61 VAL N N 15 125.778 . . 1 . . . D 361 VAL N . 18379 1 1621 . 4 2 62 62 THR H H 1 8.869 . . 1 . . . D 362 THR H . 18379 1 1622 . 4 2 62 62 THR HA H 1 4.816 . . 1 . . . D 362 THR HA . 18379 1 1623 . 4 2 62 62 THR HB H 1 3.811 . . 1 . . . D 362 THR HB . 18379 1 1624 . 4 2 62 62 THR CA C 13 62.507 . . 1 . . . D 362 THR CA . 18379 1 1625 . 4 2 62 62 THR CB C 13 70.097 . . 1 . . . D 362 THR CB . 18379 1 1626 . 4 2 62 62 THR CG2 C 13 21.791 . . 1 . . . D 362 THR CG2 . 18379 1 1627 . 4 2 62 62 THR N N 15 118.467 . . 1 . . . D 362 THR N . 18379 1 1628 . 4 2 63 63 ILE H H 1 9.035 . . 1 . . . D 363 ILE H . 18379 1 1629 . 4 2 63 63 ILE HA H 1 4.801 . . 1 . . . D 363 ILE HA . 18379 1 1630 . 4 2 63 63 ILE HB H 1 1.826 . . 1 . . . D 363 ILE HB . 18379 1 1631 . 4 2 63 63 ILE HD11 H 1 0.928 . . 1 . . . D 363 ILE HD11 . 18379 1 1632 . 4 2 63 63 ILE HD12 H 1 0.928 . . 1 . . . D 363 ILE HD12 . 18379 1 1633 . 4 2 63 63 ILE HD13 H 1 0.928 . . 1 . . . D 363 ILE HD13 . 18379 1 1634 . 4 2 63 63 ILE CA C 13 60.684 . . 1 . . . D 363 ILE CA . 18379 1 1635 . 4 2 63 63 ILE CB C 13 38.474 . . 1 . . . D 363 ILE CB . 18379 1 1636 . 4 2 63 63 ILE CG1 C 13 31.093 . . 1 . . . D 363 ILE CG1 . 18379 1 1637 . 4 2 63 63 ILE CG2 C 13 18.036 . . 1 . . . D 363 ILE CG2 . 18379 1 1638 . 4 2 63 63 ILE CD1 C 13 13.891 . . 1 . . . D 363 ILE CD1 . 18379 1 1639 . 4 2 63 63 ILE N N 15 129.932 . . 1 . . . D 363 ILE N . 18379 1 1640 . 4 2 64 64 SER H H 1 9.103 . . 1 . . . D 364 SER H . 18379 1 1641 . 4 2 64 64 SER HA H 1 5.572 . . 1 . . . D 364 SER HA . 18379 1 1642 . 4 2 64 64 SER HB2 H 1 3.666 . . 1 . . . D 364 SER HB2 . 18379 1 1643 . 4 2 64 64 SER HB3 H 1 3.666 . . 1 . . . D 364 SER HB3 . 18379 1 1644 . 4 2 64 64 SER CA C 13 56.005 . . 1 . . . D 364 SER CA . 18379 1 1645 . 4 2 64 64 SER CB C 13 65.960 . . 1 . . . D 364 SER CB . 18379 1 1646 . 4 2 64 64 SER N N 15 121.847 . . 1 . . . D 364 SER N . 18379 1 1647 . 4 2 65 65 ALA H H 1 9.213 . . 1 . . . D 365 ALA H . 18379 1 1648 . 4 2 65 65 ALA HA H 1 5.640 . . 1 . . . D 365 ALA HA . 18379 1 1649 . 4 2 65 65 ALA CA C 13 50.244 . . 1 . . . D 365 ALA CA . 18379 1 1650 . 4 2 65 65 ALA CB C 13 25.272 . . 1 . . . D 365 ALA CB . 18379 1 1651 . 4 2 65 65 ALA N N 15 124.759 . . 1 . . . D 365 ALA N . 18379 1 1652 . 4 2 66 66 GLU H H 1 8.348 . . 1 . . . D 366 GLU H . 18379 1 1653 . 4 2 66 66 GLU HA H 1 5.331 . . 1 . . . D 366 GLU HA . 18379 1 1654 . 4 2 66 66 GLU HB2 H 1 1.914 . . 1 . . . D 366 GLU HB2 . 18379 1 1655 . 4 2 66 66 GLU HB3 H 1 1.982 . . 1 . . . D 366 GLU HB3 . 18379 1 1656 . 4 2 66 66 GLU HG2 H 1 2.162 . . 1 . . . D 366 GLU HG2 . 18379 1 1657 . 4 2 66 66 GLU HG3 H 1 2.102 . . 1 . . . D 366 GLU HG3 . 18379 1 1658 . 4 2 66 66 GLU CA C 13 54.244 . . 1 . . . D 366 GLU CA . 18379 1 1659 . 4 2 66 66 GLU CB C 13 33.530 . . 1 . . . D 366 GLU CB . 18379 1 1660 . 4 2 66 66 GLU CG C 13 36.845 . . 1 . . . D 366 GLU CG . 18379 1 1661 . 4 2 66 66 GLU N N 15 119.604 . . 1 . . . D 366 GLU N . 18379 1 1662 . 4 2 67 67 GLY H H 1 10.228 . . 1 . . . D 367 GLY H . 18379 1 1663 . 4 2 67 67 GLY CA C 13 45.217 . . 1 . . . D 367 GLY CA . 18379 1 1664 . 4 2 67 67 GLY N N 15 119.409 . . 1 . . . D 367 GLY N . 18379 1 1665 . 4 2 68 68 GLU H H 1 9.057 . . 1 . . . D 368 GLU H . 18379 1 1666 . 4 2 68 68 GLU HA H 1 4.000 . . 1 . . . D 368 GLU HA . 18379 1 1667 . 4 2 68 68 GLU HB2 H 1 1.975 . . 1 . . . D 368 GLU HB2 . 18379 1 1668 . 4 2 68 68 GLU HB3 H 1 1.975 . . 1 . . . D 368 GLU HB3 . 18379 1 1669 . 4 2 68 68 GLU HG2 H 1 2.262 . . 1 . . . D 368 GLU HG2 . 18379 1 1670 . 4 2 68 68 GLU HG3 H 1 2.262 . . 1 . . . D 368 GLU HG3 . 18379 1 1671 . 4 2 68 68 GLU CA C 13 59.379 . . 1 . . . D 368 GLU CA . 18379 1 1672 . 4 2 68 68 GLU CB C 13 29.036 . . 1 . . . D 368 GLU CB . 18379 1 1673 . 4 2 68 68 GLU CG C 13 36.083 . . 1 . . . D 368 GLU CG . 18379 1 1674 . 4 2 68 68 GLU N N 15 119.517 . . 1 . . . D 368 GLU N . 18379 1 1675 . 4 2 69 69 ASP H H 1 7.227 . . 1 . . . D 369 ASP H . 18379 1 1676 . 4 2 69 69 ASP HA H 1 4.890 . . 1 . . . D 369 ASP HA . 18379 1 1677 . 4 2 69 69 ASP HB2 H 1 2.630 . . 1 . . . D 369 ASP HB2 . 18379 1 1678 . 4 2 69 69 ASP HB3 H 1 3.285 . . 1 . . . D 369 ASP HB3 . 18379 1 1679 . 4 2 69 69 ASP CA C 13 50.965 . . 1 . . . D 369 ASP CA . 18379 1 1680 . 4 2 69 69 ASP CB C 13 39.826 . . 1 . . . D 369 ASP CB . 18379 1 1681 . 4 2 69 69 ASP N N 15 114.836 . . 1 . . . D 369 ASP N . 18379 1 1682 . 4 2 70 70 GLU H H 1 6.863 . . 1 . . . D 370 GLU H . 18379 1 1683 . 4 2 70 70 GLU HA H 1 3.755 . . 1 . . . D 370 GLU HA . 18379 1 1684 . 4 2 70 70 GLU HB2 H 1 2.718 . . 1 . . . D 370 GLU HB2 . 18379 1 1685 . 4 2 70 70 GLU HB3 H 1 2.718 . . 1 . . . D 370 GLU HB3 . 18379 1 1686 . 4 2 70 70 GLU HG2 H 1 2.092 . . 1 . . . D 370 GLU HG2 . 18379 1 1687 . 4 2 70 70 GLU HG3 H 1 2.718 . . 1 . . . D 370 GLU HG3 . 18379 1 1688 . 4 2 70 70 GLU CA C 13 59.791 . . 1 . . . D 370 GLU CA . 18379 1 1689 . 4 2 70 70 GLU CB C 13 28.039 . . 1 . . . D 370 GLU CB . 18379 1 1690 . 4 2 70 70 GLU CG C 13 34.653 . . 1 . . . D 370 GLU CG . 18379 1 1691 . 4 2 70 70 GLU N N 15 117.029 . . 1 . . . D 370 GLU N . 18379 1 1692 . 4 2 71 71 GLN H H 1 7.736 . . 1 . . . D 371 GLN H . 18379 1 1693 . 4 2 71 71 GLN HA H 1 3.245 . . 1 . . . D 371 GLN HA . 18379 1 1694 . 4 2 71 71 GLN HB2 H 1 1.387 . . 1 . . . D 371 GLN HB2 . 18379 1 1695 . 4 2 71 71 GLN HB3 H 1 1.489 . . 1 . . . D 371 GLN HB3 . 18379 1 1696 . 4 2 71 71 GLN HG2 H 1 1.046 . . 1 . . . D 371 GLN HG2 . 18379 1 1697 . 4 2 71 71 GLN HG3 H 1 1.046 . . 1 . . . D 371 GLN HG3 . 18379 1 1698 . 4 2 71 71 GLN CA C 13 58.795 . . 1 . . . D 371 GLN CA . 18379 1 1699 . 4 2 71 71 GLN CB C 13 26.887 . . 1 . . . D 371 GLN CB . 18379 1 1700 . 4 2 71 71 GLN CG C 13 32.327 . . 1 . . . D 371 GLN CG . 18379 1 1701 . 4 2 71 71 GLN N N 15 120.392 . . 1 . . . D 371 GLN N . 18379 1 1702 . 4 2 72 72 LYS H H 1 7.551 . . 1 . . . D 372 LYS H . 18379 1 1703 . 4 2 72 72 LYS HA H 1 3.842 . . 1 . . . D 372 LYS HA . 18379 1 1704 . 4 2 72 72 LYS HB2 H 1 1.758 . . 1 . . . D 372 LYS HB2 . 18379 1 1705 . 4 2 72 72 LYS HB3 H 1 1.793 . . 1 . . . D 372 LYS HB3 . 18379 1 1706 . 4 2 72 72 LYS HG2 H 1 1.424 . . 1 . . . D 372 LYS HG2 . 18379 1 1707 . 4 2 72 72 LYS HG3 H 1 1.506 . . 1 . . . D 372 LYS HG3 . 18379 1 1708 . 4 2 72 72 LYS HD2 H 1 1.739 . . 1 . . . D 372 LYS HD2 . 18379 1 1709 . 4 2 72 72 LYS HD3 H 1 1.739 . . 1 . . . D 372 LYS HD3 . 18379 1 1710 . 4 2 72 72 LYS CA C 13 58.510 . . 1 . . . D 372 LYS CA . 18379 1 1711 . 4 2 72 72 LYS CB C 13 32.332 . . 1 . . . D 372 LYS CB . 18379 1 1712 . 4 2 72 72 LYS CG C 13 25.070 . . 1 . . . D 372 LYS CG . 18379 1 1713 . 4 2 72 72 LYS CD C 13 29.200 . . 1 . . . D 372 LYS CD . 18379 1 1714 . 4 2 72 72 LYS CE C 13 42.264 . . 1 . . . D 372 LYS CE . 18379 1 1715 . 4 2 72 72 LYS N N 15 119.582 . . 1 . . . D 372 LYS N . 18379 1 1716 . 4 2 73 73 ALA H H 1 8.369 . . 1 . . . D 373 ALA H . 18379 1 1717 . 4 2 73 73 ALA HA H 1 1.911 . . 1 . . . D 373 ALA HA . 18379 1 1718 . 4 2 73 73 ALA CA C 13 53.886 . . 1 . . . D 373 ALA CA . 18379 1 1719 . 4 2 73 73 ALA CB C 13 18.456 . . 1 . . . D 373 ALA CB . 18379 1 1720 . 4 2 73 73 ALA N N 15 121.561 . . 1 . . . D 373 ALA N . 18379 1 1721 . 4 2 74 74 VAL H H 1 7.247 . . 1 . . . D 374 VAL H . 18379 1 1722 . 4 2 74 74 VAL HA H 1 3.231 . . 1 . . . D 374 VAL HA . 18379 1 1723 . 4 2 74 74 VAL HB H 1 2.151 . . 1 . . . D 374 VAL HB . 18379 1 1724 . 4 2 74 74 VAL HG11 H 1 1.131 . . 1 . . . D 374 VAL HG11 . 18379 1 1725 . 4 2 74 74 VAL HG12 H 1 1.131 . . 1 . . . D 374 VAL HG12 . 18379 1 1726 . 4 2 74 74 VAL HG13 H 1 1.131 . . 1 . . . D 374 VAL HG13 . 18379 1 1727 . 4 2 74 74 VAL HG21 H 1 0.934 . . 1 . . . D 374 VAL HG21 . 18379 1 1728 . 4 2 74 74 VAL HG22 H 1 0.934 . . 1 . . . D 374 VAL HG22 . 18379 1 1729 . 4 2 74 74 VAL HG23 H 1 0.934 . . 1 . . . D 374 VAL HG23 . 18379 1 1730 . 4 2 74 74 VAL CA C 13 67.393 . . 1 . . . D 374 VAL CA . 18379 1 1731 . 4 2 74 74 VAL CB C 13 31.950 . . 1 . . . D 374 VAL CB . 18379 1 1732 . 4 2 74 74 VAL CG1 C 13 24.454 . . 1 . . . D 374 VAL CG1 . 18379 1 1733 . 4 2 74 74 VAL CG2 C 13 22.914 . . 1 . . . D 374 VAL CG2 . 18379 1 1734 . 4 2 74 74 VAL N N 15 116.556 . . 1 . . . D 374 VAL N . 18379 1 1735 . 4 2 75 75 GLU H H 1 8.267 . . 1 . . . D 375 GLU H . 18379 1 1736 . 4 2 75 75 GLU HA H 1 3.805 . . 1 . . . D 375 GLU HA . 18379 1 1737 . 4 2 75 75 GLU HB2 H 1 2.047 . . 1 . . . D 375 GLU HB2 . 18379 1 1738 . 4 2 75 75 GLU HB3 H 1 1.895 . . 1 . . . D 375 GLU HB3 . 18379 1 1739 . 4 2 75 75 GLU HG2 H 1 2.500 . . 1 . . . D 375 GLU HG2 . 18379 1 1740 . 4 2 75 75 GLU HG3 H 1 2.207 . . 1 . . . D 375 GLU HG3 . 18379 1 1741 . 4 2 75 75 GLU CA C 13 60.224 . . 1 . . . D 375 GLU CA . 18379 1 1742 . 4 2 75 75 GLU CB C 13 29.464 . . 1 . . . D 375 GLU CB . 18379 1 1743 . 4 2 75 75 GLU CG C 13 37.330 . . 1 . . . D 375 GLU CG . 18379 1 1744 . 4 2 75 75 GLU N N 15 117.148 . . 1 . . . D 375 GLU N . 18379 1 1745 . 4 2 76 76 HIS H H 1 8.224 . . 1 . . . D 376 HIS H . 18379 1 1746 . 4 2 76 76 HIS HA H 1 4.191 . . 1 . . . D 376 HIS HA . 18379 1 1747 . 4 2 76 76 HIS HB2 H 1 3.079 . . 1 . . . D 376 HIS HB2 . 18379 1 1748 . 4 2 76 76 HIS HB3 H 1 3.217 . . 1 . . . D 376 HIS HB3 . 18379 1 1749 . 4 2 76 76 HIS HD2 H 1 6.642 . . 1 . . . D 376 HIS HD2 . 18379 1 1750 . 4 2 76 76 HIS CA C 13 60.046 . . 1 . . . D 376 HIS CA . 18379 1 1751 . 4 2 76 76 HIS CB C 13 32.449 . . 1 . . . D 376 HIS CB . 18379 1 1752 . 4 2 76 76 HIS CD2 C 13 116.337 . . 1 . . . D 376 HIS CD2 . 18379 1 1753 . 4 2 76 76 HIS N N 15 119.206 . . 1 . . . D 376 HIS N . 18379 1 1754 . 4 2 77 77 LEU H H 1 7.984 . . 1 . . . D 377 LEU H . 18379 1 1755 . 4 2 77 77 LEU HA H 1 4.002 . . 1 . . . D 377 LEU HA . 18379 1 1756 . 4 2 77 77 LEU HB2 H 1 1.535 . . 1 . . . D 377 LEU HB2 . 18379 1 1757 . 4 2 77 77 LEU HB3 H 1 1.802 . . 1 . . . D 377 LEU HB3 . 18379 1 1758 . 4 2 77 77 LEU HG H 1 1.903 . . 1 . . . D 377 LEU HG . 18379 1 1759 . 4 2 77 77 LEU HD11 H 1 0.577 . . 1 . . . D 377 LEU HD11 . 18379 1 1760 . 4 2 77 77 LEU HD12 H 1 0.577 . . 1 . . . D 377 LEU HD12 . 18379 1 1761 . 4 2 77 77 LEU HD13 H 1 0.577 . . 1 . . . D 377 LEU HD13 . 18379 1 1762 . 4 2 77 77 LEU HD21 H 1 0.212 . . 1 . . . D 377 LEU HD21 . 18379 1 1763 . 4 2 77 77 LEU HD22 H 1 0.212 . . 1 . . . D 377 LEU HD22 . 18379 1 1764 . 4 2 77 77 LEU HD23 H 1 0.212 . . 1 . . . D 377 LEU HD23 . 18379 1 1765 . 4 2 77 77 LEU CA C 13 57.547 . . 1 . . . D 377 LEU CA . 18379 1 1766 . 4 2 77 77 LEU CB C 13 40.854 . . 1 . . . D 377 LEU CB . 18379 1 1767 . 4 2 77 77 LEU CG C 13 26.844 . . 1 . . . D 377 LEU CG . 18379 1 1768 . 4 2 77 77 LEU CD1 C 13 26.554 . . 1 . . . D 377 LEU CD1 . 18379 1 1769 . 4 2 77 77 LEU CD2 C 13 20.661 . . 1 . . . D 377 LEU CD2 . 18379 1 1770 . 4 2 77 77 LEU N N 15 119.809 . . 1 . . . D 377 LEU N . 18379 1 1771 . 4 2 78 78 VAL H H 1 8.946 . . 1 . . . D 378 VAL H . 18379 1 1772 . 4 2 78 78 VAL HA H 1 3.557 . . 1 . . . D 378 VAL HA . 18379 1 1773 . 4 2 78 78 VAL HB H 1 2.110 . . 1 . . . D 378 VAL HB . 18379 1 1774 . 4 2 78 78 VAL HG11 H 1 0.977 . . 1 . . . D 378 VAL HG11 . 18379 1 1775 . 4 2 78 78 VAL HG12 H 1 0.977 . . 1 . . . D 378 VAL HG12 . 18379 1 1776 . 4 2 78 78 VAL HG13 H 1 0.977 . . 1 . . . D 378 VAL HG13 . 18379 1 1777 . 4 2 78 78 VAL HG21 H 1 0.919 . . 1 . . . D 378 VAL HG21 . 18379 1 1778 . 4 2 78 78 VAL HG22 H 1 0.919 . . 1 . . . D 378 VAL HG22 . 18379 1 1779 . 4 2 78 78 VAL HG23 H 1 0.919 . . 1 . . . D 378 VAL HG23 . 18379 1 1780 . 4 2 78 78 VAL CA C 13 66.947 . . 1 . . . D 378 VAL CA . 18379 1 1781 . 4 2 78 78 VAL CB C 13 31.578 . . 1 . . . D 378 VAL CB . 18379 1 1782 . 4 2 78 78 VAL CG1 C 13 23.539 . . 1 . . . D 378 VAL CG1 . 18379 1 1783 . 4 2 78 78 VAL CG2 C 13 21.088 . . 1 . . . D 378 VAL CG2 . 18379 1 1784 . 4 2 78 78 VAL N N 15 120.501 . . 1 . . . D 378 VAL N . 18379 1 1785 . 4 2 79 79 LYS H H 1 7.263 . . 1 . . . D 379 LYS H . 18379 1 1786 . 4 2 79 79 LYS HA H 1 3.981 . . 1 . . . D 379 LYS HA . 18379 1 1787 . 4 2 79 79 LYS HB2 H 1 1.811 . . 1 . . . D 379 LYS HB2 . 18379 1 1788 . 4 2 79 79 LYS HB3 H 1 1.877 . . 1 . . . D 379 LYS HB3 . 18379 1 1789 . 4 2 79 79 LYS HG2 H 1 1.508 . . 1 . . . D 379 LYS HG2 . 18379 1 1790 . 4 2 79 79 LYS HG3 H 1 1.312 . . 1 . . . D 379 LYS HG3 . 18379 1 1791 . 4 2 79 79 LYS HD2 H 1 1.640 . . 1 . . . D 379 LYS HD2 . 18379 1 1792 . 4 2 79 79 LYS HD3 H 1 1.640 . . 1 . . . D 379 LYS HD3 . 18379 1 1793 . 4 2 79 79 LYS CA C 13 59.437 . . 1 . . . D 379 LYS CA . 18379 1 1794 . 4 2 79 79 LYS CB C 13 32.016 . . 1 . . . D 379 LYS CB . 18379 1 1795 . 4 2 79 79 LYS CG C 13 24.889 . . 1 . . . D 379 LYS CG . 18379 1 1796 . 4 2 79 79 LYS CD C 13 29.330 . . 1 . . . D 379 LYS CD . 18379 1 1797 . 4 2 79 79 LYS CE C 13 41.871 . . 1 . . . D 379 LYS CE . 18379 1 1798 . 4 2 79 79 LYS N N 15 121.449 . . 1 . . . D 379 LYS N . 18379 1 1799 . 4 2 80 80 LEU H H 1 7.826 . . 1 . . . D 380 LEU H . 18379 1 1800 . 4 2 80 80 LEU HA H 1 4.002 . . 1 . . . D 380 LEU HA . 18379 1 1801 . 4 2 80 80 LEU HB2 H 1 1.615 . . 1 . . . D 380 LEU HB2 . 18379 1 1802 . 4 2 80 80 LEU HB3 H 1 1.838 . . 1 . . . D 380 LEU HB3 . 18379 1 1803 . 4 2 80 80 LEU HG H 1 1.617 . . 1 . . . D 380 LEU HG . 18379 1 1804 . 4 2 80 80 LEU HD11 H 1 0.865 . . 1 . . . D 380 LEU HD11 . 18379 1 1805 . 4 2 80 80 LEU HD12 H 1 0.865 . . 1 . . . D 380 LEU HD12 . 18379 1 1806 . 4 2 80 80 LEU HD13 H 1 0.865 . . 1 . . . D 380 LEU HD13 . 18379 1 1807 . 4 2 80 80 LEU HD21 H 1 0.888 . . 1 . . . D 380 LEU HD21 . 18379 1 1808 . 4 2 80 80 LEU HD22 H 1 0.888 . . 1 . . . D 380 LEU HD22 . 18379 1 1809 . 4 2 80 80 LEU HD23 H 1 0.888 . . 1 . . . D 380 LEU HD23 . 18379 1 1810 . 4 2 80 80 LEU CA C 13 57.488 . . 1 . . . D 380 LEU CA . 18379 1 1811 . 4 2 80 80 LEU CB C 13 42.194 . . 1 . . . D 380 LEU CB . 18379 1 1812 . 4 2 80 80 LEU CG C 13 26.836 . . 1 . . . D 380 LEU CG . 18379 1 1813 . 4 2 80 80 LEU CD1 C 13 26.009 . . 1 . . . D 380 LEU CD1 . 18379 1 1814 . 4 2 80 80 LEU CD2 C 13 24.520 . . 1 . . . D 380 LEU CD2 . 18379 1 1815 . 4 2 80 80 LEU N N 15 119.535 . . 1 . . . D 380 LEU N . 18379 1 1816 . 4 2 81 81 MET H H 1 7.990 . . 1 . . . D 381 MET H . 18379 1 1817 . 4 2 81 81 MET HA H 1 3.995 . . 1 . . . D 381 MET HA . 18379 1 1818 . 4 2 81 81 MET HB2 H 1 2.022 . . 1 . . . D 381 MET HB2 . 18379 1 1819 . 4 2 81 81 MET HB3 H 1 2.257 . . 1 . . . D 381 MET HB3 . 18379 1 1820 . 4 2 81 81 MET HG2 H 1 2.535 . . 1 . . . D 381 MET HG2 . 18379 1 1821 . 4 2 81 81 MET HG3 H 1 2.462 . . 1 . . . D 381 MET HG3 . 18379 1 1822 . 4 2 81 81 MET CA C 13 58.773 . . 1 . . . D 381 MET CA . 18379 1 1823 . 4 2 81 81 MET CB C 13 33.840 . . 1 . . . D 381 MET CB . 18379 1 1824 . 4 2 81 81 MET CG C 13 32.210 . . 1 . . . D 381 MET CG . 18379 1 1825 . 4 2 81 81 MET CE C 13 24.990 . . 1 . . . D 381 MET CE . 18379 1 1826 . 4 2 81 81 MET N N 15 116.889 . . 1 . . . D 381 MET N . 18379 1 1827 . 4 2 82 82 ALA H H 1 7.659 . . 1 . . . D 382 ALA H . 18379 1 1828 . 4 2 82 82 ALA HA H 1 4.282 . . 1 . . . D 382 ALA HA . 18379 1 1829 . 4 2 82 82 ALA CA C 13 53.670 . . 1 . . . D 382 ALA CA . 18379 1 1830 . 4 2 82 82 ALA CB C 13 18.999 . . 1 . . . D 382 ALA CB . 18379 1 1831 . 4 2 82 82 ALA N N 15 118.929 . . 1 . . . D 382 ALA N . 18379 1 1832 . 4 2 83 83 GLU H H 1 7.823 . . 1 . . . D 383 GLU H . 18379 1 1833 . 4 2 83 83 GLU HA H 1 4.403 . . 1 . . . D 383 GLU HA . 18379 1 1834 . 4 2 83 83 GLU HB2 H 1 2.026 . . 1 . . . D 383 GLU HB2 . 18379 1 1835 . 4 2 83 83 GLU HB3 H 1 2.139 . . 1 . . . D 383 GLU HB3 . 18379 1 1836 . 4 2 83 83 GLU HG2 H 1 2.350 . . 1 . . . D 383 GLU HG2 . 18379 1 1837 . 4 2 83 83 GLU HG3 H 1 2.350 . . 1 . . . D 383 GLU HG3 . 18379 1 1838 . 4 2 83 83 GLU CA C 13 56.005 . . 1 . . . D 383 GLU CA . 18379 1 1839 . 4 2 83 83 GLU CB C 13 30.784 . . 1 . . . D 383 GLU CB . 18379 1 1840 . 4 2 83 83 GLU CG C 13 36.489 . . 1 . . . D 383 GLU CG . 18379 1 1841 . 4 2 83 83 GLU N N 15 117.106 . . 1 . . . D 383 GLU N . 18379 1 1842 . 4 2 84 84 LEU H H 1 7.236 . . 1 . . . D 384 LEU H . 18379 1 1843 . 4 2 84 84 LEU HA H 1 4.239 . . 1 . . . D 384 LEU HA . 18379 1 1844 . 4 2 84 84 LEU HB2 H 1 1.407 . . 1 . . . D 384 LEU HB2 . 18379 1 1845 . 4 2 84 84 LEU HB3 H 1 1.778 . . 1 . . . D 384 LEU HB3 . 18379 1 1846 . 4 2 84 84 LEU HG H 1 2.032 . . 1 . . . D 384 LEU HG . 18379 1 1847 . 4 2 84 84 LEU HD11 H 1 0.937 . . 1 . . . D 384 LEU HD11 . 18379 1 1848 . 4 2 84 84 LEU HD12 H 1 0.937 . . 1 . . . D 384 LEU HD12 . 18379 1 1849 . 4 2 84 84 LEU HD13 H 1 0.937 . . 1 . . . D 384 LEU HD13 . 18379 1 1850 . 4 2 84 84 LEU HD21 H 1 0.871 . . 1 . . . D 384 LEU HD21 . 18379 1 1851 . 4 2 84 84 LEU HD22 H 1 0.871 . . 1 . . . D 384 LEU HD22 . 18379 1 1852 . 4 2 84 84 LEU HD23 H 1 0.871 . . 1 . . . D 384 LEU HD23 . 18379 1 1853 . 4 2 84 84 LEU CA C 13 56.000 . . 1 . . . D 384 LEU CA . 18379 1 1854 . 4 2 84 84 LEU CB C 13 43.082 . . 1 . . . D 384 LEU CB . 18379 1 1855 . 4 2 84 84 LEU CG C 13 26.227 . . 1 . . . D 384 LEU CG . 18379 1 1856 . 4 2 84 84 LEU CD1 C 13 26.473 . . 1 . . . D 384 LEU CD1 . 18379 1 1857 . 4 2 84 84 LEU CD2 C 13 23.353 . . 1 . . . D 384 LEU CD2 . 18379 1 1858 . 4 2 84 84 LEU N N 15 122.297 . . 1 . . . D 384 LEU N . 18379 1 1859 . 4 2 85 85 GLU H H 1 7.920 . . 1 . . . D 385 GLU H . 18379 1 1860 . 4 2 85 85 GLU HA H 1 4.249 . . 1 . . . D 385 GLU HA . 18379 1 1861 . 4 2 85 85 GLU HB2 H 1 2.052 . . 1 . . . D 385 GLU HB2 . 18379 1 1862 . 4 2 85 85 GLU HB3 H 1 1.939 . . 1 . . . D 385 GLU HB3 . 18379 1 1863 . 4 2 85 85 GLU HG2 H 1 2.187 . . 1 . . . D 385 GLU HG2 . 18379 1 1864 . 4 2 85 85 GLU HG3 H 1 2.187 . . 1 . . . D 385 GLU HG3 . 18379 1 1865 . 4 2 85 85 GLU CA C 13 57.610 . . 1 . . . D 385 GLU CA . 18379 1 1866 . 4 2 85 85 GLU CB C 13 32.577 . . 1 . . . D 385 GLU CB . 18379 1 1867 . 4 2 85 85 GLU CG C 13 36.416 . . 1 . . . D 385 GLU CG . 18379 1 1868 . 4 2 85 85 GLU N N 15 125.644 . . 1 . . . D 385 GLU N . 18379 1 stop_ save_