data_11408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11408 _Entry.Title ; Assigned chemical shifts of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-06-24 _Entry.Original_release_date 2011-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Tsuda . . . 11408 2 K. Kuwasako . . . 11408 3 M. Takahashi . . . 11408 4 T. Someya . . . 11408 5 Y. Muto . . . 11408 6 M. Inoue . . . 11408 7 T. Kigawa . . . 11408 8 T. Terada . . . 11408 9 M. Shirouzu . . . 11408 10 S. Yokoyama . . . 11408 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 11408 '15N chemical shifts' 118 11408 '1H chemical shifts' 755 11408 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-06-24 2010-09-09 original author . 11408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11405 'Assigned chemical shifts of RNA binding domain 3' 11408 BMRB 11406 'Assigned chemical shifts of RNA binding domain 3 in RNA (CUGCUG)' 11408 BMRB 11407 'Assigned chemical shifts of RNA binding domain 3 in RNA (UAUAUA)' 11408 PDB 2rq4 'Refinement of RNA binding domain 3 in CUG triplet repeat RNA-binding protein 1' 11408 PDB 2rqc 'Solution Structure of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3' 11408 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11408 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19553194 _Citation.Full_citation . _Citation.Title 'Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 37 _Citation.Journal_issue 15 _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 5151 _Citation.Page_last 5166 _Citation.Year 2009 _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 K. Tsuda . . . 11408 1 2 K. Kuwasako . . . 11408 1 3 M. Takahashi . . . 11408 1 4 T. Someya . . . 11408 1 5 M. Inoue . . . 11408 1 6 T. Terada . . . 11408 1 7 N. Kobayashi . . . 11408 1 8 M. Shirouzu . . . 11408 1 9 T. Kigawa . . . 11408 1 10 A. Tanaka . . . 11408 1 11 S. Sugano . . . 11408 1 12 P. Guntert . . . 11408 1 13 Y. Muto . . . 11408 1 14 S. Yokoyama . . . 11408 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11408 _Assembly.ID 1 _Assembly.Name 'CUG-BP- and ETR-3-like factor 1/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'RNA RECOGNITION MOTIF, RESIDUES 383-484' 1 $entity_1 A . yes native no no . . . 11408 1 2 5'-R(*UP*GP*UP*GP*UP*G)-3 2 $entity_2 B . no native no no . . . 11408 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2rqc . . . . . . 11408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA RECOGNITION MOTIF, RESIDUES 383-484' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLTQQSIGAAGSQK EGPEGANLFIYHLPQEFGDQ DLLQMFMPFGNVVSAKVFID KQTNLSKCFGFVSYDNPVSA QAAIQSMNGFQIGMKRLKVQ LKRSKNDSKSGPSSG ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 11405 . "RNA recognition motif" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 2 no BMRB 11406 . "RNA recognition motif" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 3 no BMRB 11407 . "RNA recognition motif" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 4 no PDB 2CPZ . "Solution Structure Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 5 no PDB 2RQ4 . "Refinement Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 6 no PDB 2RQC . "Solution Structure Of Rna-Binding Domain 3 Of Cugbp1 In Complex With Rna (Ug)3" . . . . . 100.00 115 100.00 100.00 1.55e-75 . . . . 11408 1 7 no DBJ BAB29392 . "unnamed protein product [Mus musculus]" . . . . . 88.70 487 100.00 100.00 5.53e-64 . . . . 11408 1 8 no DBJ BAE06101 . "CUGBP1 variant protein [Homo sapiens]" . . . . . 88.70 512 100.00 100.00 1.06e-63 . . . . 11408 1 9 no DBJ BAE22391 . "unnamed protein product [Mus musculus]" . . . . . 74.78 88 100.00 100.00 5.58e-55 . . . . 11408 1 10 no DBJ BAE25504 . "unnamed protein product [Mus musculus]" . . . . . 88.70 486 99.02 100.00 2.29e-63 . . . . 11408 1 11 no DBJ BAE33820 . "unnamed protein product [Mus musculus]" . . . . . 88.70 486 99.02 99.02 9.21e-63 . . . . 11408 1 12 no EMBL CAC20566 . "deadenylation factor CUG-BP [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11408 1 13 no EMBL CAC20707 . "deadenylation factor EDEN-BP [Mus musculus]" . . . . . 88.70 486 100.00 100.00 6.15e-64 . . . . 11408 1 14 no EMBL CAH65197 . "hypothetical protein RCJMB04_7f23 [Gallus gallus]" . . . . . 88.70 485 100.00 100.00 7.13e-64 . . . . 11408 1 15 no EMBL CAH91665 . "hypothetical protein [Pongo abelii]" . . . . . 88.70 513 100.00 100.00 9.79e-64 . . . . 11408 1 16 no EMBL CAJ82289 . "CUG triplet repeat, RNA binding protein 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11408 1 17 no GB AAC50895 . "CUG-BP/hNab50 [Homo sapiens]" . . . . . 88.70 482 100.00 100.00 5.41e-64 . . . . 11408 1 18 no GB AAF78955 . "CUG-binding protein LYLQ isoform [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11408 1 19 no GB AAF78956 . "CUG-binding protein A isoform [Homo sapiens]" . . . . . 88.70 483 100.00 100.00 5.53e-64 . . . . 11408 1 20 no GB AAF78957 . "CUG-binding protein LYLQ isoform [Mus musculus]" . . . . . 88.70 486 100.00 100.00 4.67e-64 . . . . 11408 1 21 no GB AAF86230 . "RNA-binding protein BRUNOL2 [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11408 1 22 no REF NP_001012539 . "CUGBP Elav-like family member 1 [Gallus gallus]" . . . . . 88.70 485 100.00 100.00 7.13e-64 . . . . 11408 1 23 no REF NP_001017152 . "CUGBP Elav-like family member 1 [Xenopus (Silurana) tropicalis]" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11408 1 24 no REF NP_001020592 . "CUGBP Elav-like family member 1 [Rattus norvegicus]" . . . . . 88.70 487 100.00 100.00 5.36e-64 . . . . 11408 1 25 no REF NP_001020767 . "CUGBP Elav-like family member 1 isoform 3 [Homo sapiens]" . . . . . 88.70 486 100.00 100.00 5.41e-64 . . . . 11408 1 26 no REF NP_001094682 . "CUGBP Elav-like family member 1 [Bos taurus]" . . . . . 88.70 486 99.02 99.02 2.63e-63 . . . . 11408 1 27 no SP P28659 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=50 kDa nuclear polyadenylated RNA-binding protein; A" . . . . . 88.70 486 100.00 100.00 6.15e-64 . . . . 11408 1 28 no SP Q28HE9 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 490 97.06 99.02 3.46e-62 . . . . 11408 1 29 no SP Q4QQT3 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 487 100.00 100.00 5.36e-64 . . . . 11408 1 30 no SP Q5F3T7 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 489 100.00 100.00 7.37e-64 . . . . 11408 1 31 no SP Q5R995 . "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" . . . . . 88.70 513 100.00 100.00 9.79e-64 . . . . 11408 1 32 no TPG DAA21780 . "TPA: CUG triplet repeat, RNA-binding protein 1 [Bos taurus]" . . . . . 88.70 486 99.02 99.02 2.63e-63 . . . . 11408 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA RECOGNITION MOTIF, RESIDUES 383-484' . 11408 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 . GLY . 11408 1 2 . SER . 11408 1 3 . SER . 11408 1 4 . GLY . 11408 1 5 . SER . 11408 1 6 . SER . 11408 1 7 . GLY . 11408 1 8 . LEU . 11408 1 9 . THR . 11408 1 10 . GLN . 11408 1 11 . GLN . 11408 1 12 . SER . 11408 1 13 . ILE . 11408 1 14 . GLY . 11408 1 15 . ALA . 11408 1 16 . ALA . 11408 1 17 . GLY . 11408 1 18 . SER . 11408 1 19 . GLN . 11408 1 20 . LYS . 11408 1 21 . GLU . 11408 1 22 . GLY . 11408 1 23 . PRO . 11408 1 24 . GLU . 11408 1 25 . GLY . 11408 1 26 . ALA . 11408 1 27 . ASN . 11408 1 28 . LEU . 11408 1 29 . PHE . 11408 1 30 . ILE . 11408 1 31 . TYR . 11408 1 32 . HIS . 11408 1 33 . LEU . 11408 1 34 . PRO . 11408 1 35 . GLN . 11408 1 36 . GLU . 11408 1 37 . PHE . 11408 1 38 . GLY . 11408 1 39 . ASP . 11408 1 40 . GLN . 11408 1 41 . ASP . 11408 1 42 . LEU . 11408 1 43 . LEU . 11408 1 44 . GLN . 11408 1 45 . MET . 11408 1 46 . PHE . 11408 1 47 . MET . 11408 1 48 . PRO . 11408 1 49 . PHE . 11408 1 50 . GLY . 11408 1 51 . ASN . 11408 1 52 . VAL . 11408 1 53 . VAL . 11408 1 54 . SER . 11408 1 55 . ALA . 11408 1 56 . LYS . 11408 1 57 . VAL . 11408 1 58 . PHE . 11408 1 59 . ILE . 11408 1 60 . ASP . 11408 1 61 . LYS . 11408 1 62 . GLN . 11408 1 63 . THR . 11408 1 64 . ASN . 11408 1 65 . LEU . 11408 1 66 . SER . 11408 1 67 . LYS . 11408 1 68 . CYS . 11408 1 69 . PHE . 11408 1 70 . GLY . 11408 1 71 . PHE . 11408 1 72 . VAL . 11408 1 73 . SER . 11408 1 74 . TYR . 11408 1 75 . ASP . 11408 1 76 . ASN . 11408 1 77 . PRO . 11408 1 78 . VAL . 11408 1 79 . SER . 11408 1 80 . ALA . 11408 1 81 . GLN . 11408 1 82 . ALA . 11408 1 83 . ALA . 11408 1 84 . ILE . 11408 1 85 . GLN . 11408 1 86 . SER . 11408 1 87 . MET . 11408 1 88 . ASN . 11408 1 89 . GLY . 11408 1 90 . PHE . 11408 1 91 . GLN . 11408 1 92 . ILE . 11408 1 93 . GLY . 11408 1 94 . MET . 11408 1 95 . LYS . 11408 1 96 . ARG . 11408 1 97 . LEU . 11408 1 98 . LYS . 11408 1 99 . VAL . 11408 1 100 . GLN . 11408 1 101 . LEU . 11408 1 102 . LYS . 11408 1 103 . ARG . 11408 1 104 . SER . 11408 1 105 . LYS . 11408 1 106 . ASN . 11408 1 107 . ASP . 11408 1 108 . SER . 11408 1 109 . LYS . 11408 1 110 . SER . 11408 1 111 . GLY . 11408 1 112 . PRO . 11408 1 113 . SER . 11408 1 114 . SER . 11408 1 115 . GLY . 11408 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11408 1 . SER 2 2 11408 1 . SER 3 3 11408 1 . GLY 4 4 11408 1 . SER 5 5 11408 1 . SER 6 6 11408 1 . GLY 7 7 11408 1 . LEU 8 8 11408 1 . THR 9 9 11408 1 . GLN 10 10 11408 1 . GLN 11 11 11408 1 . SER 12 12 11408 1 . ILE 13 13 11408 1 . GLY 14 14 11408 1 . ALA 15 15 11408 1 . ALA 16 16 11408 1 . GLY 17 17 11408 1 . SER 18 18 11408 1 . GLN 19 19 11408 1 . LYS 20 20 11408 1 . GLU 21 21 11408 1 . GLY 22 22 11408 1 . PRO 23 23 11408 1 . GLU 24 24 11408 1 . GLY 25 25 11408 1 . ALA 26 26 11408 1 . ASN 27 27 11408 1 . LEU 28 28 11408 1 . PHE 29 29 11408 1 . ILE 30 30 11408 1 . TYR 31 31 11408 1 . HIS 32 32 11408 1 . LEU 33 33 11408 1 . PRO 34 34 11408 1 . GLN 35 35 11408 1 . GLU 36 36 11408 1 . PHE 37 37 11408 1 . GLY 38 38 11408 1 . ASP 39 39 11408 1 . GLN 40 40 11408 1 . ASP 41 41 11408 1 . LEU 42 42 11408 1 . LEU 43 43 11408 1 . GLN 44 44 11408 1 . MET 45 45 11408 1 . PHE 46 46 11408 1 . MET 47 47 11408 1 . PRO 48 48 11408 1 . PHE 49 49 11408 1 . GLY 50 50 11408 1 . ASN 51 51 11408 1 . VAL 52 52 11408 1 . VAL 53 53 11408 1 . SER 54 54 11408 1 . ALA 55 55 11408 1 . LYS 56 56 11408 1 . VAL 57 57 11408 1 . PHE 58 58 11408 1 . ILE 59 59 11408 1 . ASP 60 60 11408 1 . LYS 61 61 11408 1 . GLN 62 62 11408 1 . THR 63 63 11408 1 . ASN 64 64 11408 1 . LEU 65 65 11408 1 . SER 66 66 11408 1 . LYS 67 67 11408 1 . CYS 68 68 11408 1 . PHE 69 69 11408 1 . GLY 70 70 11408 1 . PHE 71 71 11408 1 . VAL 72 72 11408 1 . SER 73 73 11408 1 . TYR 74 74 11408 1 . ASP 75 75 11408 1 . ASN 76 76 11408 1 . PRO 77 77 11408 1 . VAL 78 78 11408 1 . SER 79 79 11408 1 . ALA 80 80 11408 1 . GLN 81 81 11408 1 . ALA 82 82 11408 1 . ALA 83 83 11408 1 . ILE 84 84 11408 1 . GLN 85 85 11408 1 . SER 86 86 11408 1 . MET 87 87 11408 1 . ASN 88 88 11408 1 . GLY 89 89 11408 1 . PHE 90 90 11408 1 . GLN 91 91 11408 1 . ILE 92 92 11408 1 . GLY 93 93 11408 1 . MET 94 94 11408 1 . LYS 95 95 11408 1 . ARG 96 96 11408 1 . LEU 97 97 11408 1 . LYS 98 98 11408 1 . VAL 99 99 11408 1 . GLN 100 100 11408 1 . LEU 101 101 11408 1 . LYS 102 102 11408 1 . ARG 103 103 11408 1 . SER 104 104 11408 1 . LYS 105 105 11408 1 . ASN 106 106 11408 1 . ASP 107 107 11408 1 . SER 108 108 11408 1 . LYS 109 109 11408 1 . SER 110 110 11408 1 . GLY 111 111 11408 1 . PRO 112 112 11408 1 . SER 113 113 11408 1 . SER 114 114 11408 1 . GLY 115 115 11408 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11408 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-R(*UP*GP*UP*GP*UP*G)-3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGUGUG _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5'-R(*UP*GP*UP*GP*UP*G)-3 . 11408 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 . U . 11408 2 2 . G . 11408 2 3 . U . 11408 2 4 . G . 11408 2 5 . U . 11408 2 6 . G . 11408 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 . U 1 1 11408 2 . G 2 2 11408 2 . U 3 3 11408 2 . G 4 4 11408 2 . U 5 5 11408 2 . G 6 6 11408 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11408 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11408 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 11408 _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 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040329-21 . . . . . . 11408 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11408 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.800 mM {[U-100%} {13C;} U-100% 15N\] CUG-BP- AND ETR-3-LIKE FACTOR 1-1, 0.800 mM RNA (5'-R(*UP*GP*UP*GP*UP*G)-3')-2, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA RECOGNITION MOTIF, RESIDUES 383-484' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.800 . . mM . . . . 11408 1 2 'RNA, 5'-R(*UP*GP*UP*GP*UP*G)-3' 'natural abundance' . . 2 $entity_2 . RNA 0.800 . . mM . . . . 11408 1 3 salt . . . . . . salt 100 . . mM . . . . 11408 1 4 H2O . . . . . . solvent 90 . . % . . . . 11408 1 5 D2O . . . . . . solvent 10 . . % . . . . 11408 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11408 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.800 mM [U-100% 13C; U-100% 15N] CUG-BP- AND ETR-3-LIKE FACTOR 1-3, 0.800 mM RNA (5'-R(*UP*GP*UP*GP*UP*G)-3')-4, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA RECOGNITION MOTIF, RESIDUES 383-484' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.800 . . mM . . . . 11408 2 2 'RNA, 5'-R(*UP*GP*UP*GP*UP*G)-3' 'natural abundance' . . 2 $entity_2 . RNA 0.800 . . mM . . . . 11408 2 3 D2O . . . . . . solvent 100 . . % . . . . 11408 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11408 _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' 100 0.1 mM 11408 1 pH 7.0 0.05 pH 11408 1 pressure 1 0.001 atm 11408 1 temperature 288 0.1 K 11408 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11408 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11408 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11408 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11408 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker, Biospin' . . 11408 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11408 2 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 11408 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . 11408 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11408 3 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11408 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One, Moon, Scientific' . . 11408 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11408 4 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11408 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9825 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11408 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11408 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11408 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler, and, Wuthrich' . . 11408 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11408 6 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 11408 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11408 _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 . 800 . . . 11408 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 11408 _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 '3D 1H-13C NOESY no.1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11408 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11408 1 3 '2D 1H-1H NOESY no.1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11408 1 4 '3D 1H-13C NOESY no.2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11408 1 5 '2D 1H-1H NOESY no.2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11408 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11408 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11408 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11408 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11408 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 1H-13C NOESY no.1' 1 $sample_1 isotropic 11408 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11408 1 3 '2D 1H-1H NOESY no.1' 1 $sample_1 isotropic 11408 1 4 '3D 1H-13C NOESY no.2' 2 $sample_2 isotropic 11408 1 5 '2D 1H-1H NOESY no.2' 2 $sample_2 isotropic 11408 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $AMBER . . 11408 1 2 $XWINNMR . . 11408 1 3 $NMRPIPE . . 11408 1 4 $NMRVIEW . . 11408 1 5 $KUJIRA . . 11408 1 6 $CYANA . . 11408 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 7 7 GLY H H 1 8.413 0.030 . 1 . . . . 7 GLY H . 11408 1 2 . 1 1 7 7 GLY HA2 H 1 3.972 0.030 . 1 . . . . 7 GLY HA2 . 11408 1 3 . 1 1 7 7 GLY HA3 H 1 3.972 0.030 . 1 . . . . 7 GLY HA3 . 11408 1 4 . 1 1 7 7 GLY C C 13 174.116 0.300 . 1 . . . . 7 GLY C . 11408 1 5 . 1 1 7 7 GLY CA C 13 45.420 0.300 . 1 . . . . 7 GLY CA . 11408 1 6 . 1 1 7 7 GLY N N 15 110.586 0.300 . 1 . . . . 7 GLY N . 11408 1 7 . 1 1 8 8 LEU H H 1 8.113 0.030 . 1 . . . . 8 LEU H . 11408 1 8 . 1 1 8 8 LEU HA H 1 4.415 0.030 . 1 . . . . 8 LEU HA . 11408 1 9 . 1 1 8 8 LEU HB2 H 1 1.651 0.030 . 2 . . . . 8 LEU HB2 . 11408 1 10 . 1 1 8 8 LEU HB3 H 1 1.597 0.030 . 2 . . . . 8 LEU HB3 . 11408 1 11 . 1 1 8 8 LEU HD11 H 1 0.918 0.030 . 1 . . . . 8 LEU HD1 . 11408 1 12 . 1 1 8 8 LEU HD12 H 1 0.918 0.030 . 1 . . . . 8 LEU HD1 . 11408 1 13 . 1 1 8 8 LEU HD13 H 1 0.918 0.030 . 1 . . . . 8 LEU HD1 . 11408 1 14 . 1 1 8 8 LEU HD21 H 1 0.866 0.030 . 1 . . . . 8 LEU HD2 . 11408 1 15 . 1 1 8 8 LEU HD22 H 1 0.866 0.030 . 1 . . . . 8 LEU HD2 . 11408 1 16 . 1 1 8 8 LEU HD23 H 1 0.866 0.030 . 1 . . . . 8 LEU HD2 . 11408 1 17 . 1 1 8 8 LEU HG H 1 1.608 0.030 . 1 . . . . 8 LEU HG . 11408 1 18 . 1 1 8 8 LEU C C 13 177.723 0.300 . 1 . . . . 8 LEU C . 11408 1 19 . 1 1 8 8 LEU CA C 13 55.339 0.300 . 1 . . . . 8 LEU CA . 11408 1 20 . 1 1 8 8 LEU CB C 13 42.453 0.300 . 1 . . . . 8 LEU CB . 11408 1 21 . 1 1 8 8 LEU CD1 C 13 24.984 0.300 . 2 . . . . 8 LEU CD1 . 11408 1 22 . 1 1 8 8 LEU CD2 C 13 23.425 0.300 . 2 . . . . 8 LEU CD2 . 11408 1 23 . 1 1 8 8 LEU CG C 13 26.982 0.300 . 1 . . . . 8 LEU CG . 11408 1 24 . 1 1 8 8 LEU N N 15 121.520 0.300 . 1 . . . . 8 LEU N . 11408 1 25 . 1 1 9 9 THR H H 1 8.157 0.030 . 1 . . . . 9 THR H . 11408 1 26 . 1 1 9 9 THR HA H 1 4.341 0.030 . 1 . . . . 9 THR HA . 11408 1 27 . 1 1 9 9 THR HB H 1 4.237 0.030 . 1 . . . . 9 THR HB . 11408 1 28 . 1 1 9 9 THR HG21 H 1 1.200 0.030 . 1 . . . . 9 THR HG2 . 11408 1 29 . 1 1 9 9 THR HG22 H 1 1.200 0.030 . 1 . . . . 9 THR HG2 . 11408 1 30 . 1 1 9 9 THR HG23 H 1 1.200 0.030 . 1 . . . . 9 THR HG2 . 11408 1 31 . 1 1 9 9 THR C C 13 174.473 0.300 . 1 . . . . 9 THR C . 11408 1 32 . 1 1 9 9 THR CA C 13 61.887 0.300 . 1 . . . . 9 THR CA . 11408 1 33 . 1 1 9 9 THR CB C 13 69.936 0.300 . 1 . . . . 9 THR CB . 11408 1 34 . 1 1 9 9 THR CG2 C 13 21.648 0.300 . 1 . . . . 9 THR CG2 . 11408 1 35 . 1 1 9 9 THR N N 15 114.785 0.300 . 1 . . . . 9 THR N . 11408 1 36 . 1 1 10 10 GLN H H 1 8.424 0.030 . 1 . . . . 10 GLN H . 11408 1 37 . 1 1 10 10 GLN HA H 1 4.334 0.030 . 1 . . . . 10 GLN HA . 11408 1 38 . 1 1 10 10 GLN HB2 H 1 2.106 0.030 . 2 . . . . 10 GLN HB2 . 11408 1 39 . 1 1 10 10 GLN HB3 H 1 1.999 0.030 . 2 . . . . 10 GLN HB3 . 11408 1 40 . 1 1 10 10 GLN HE21 H 1 7.537 0.030 . 2 . . . . 10 GLN HE21 . 11408 1 41 . 1 1 10 10 GLN HE22 H 1 6.904 0.030 . 2 . . . . 10 GLN HE22 . 11408 1 42 . 1 1 10 10 GLN HG2 H 1 2.362 0.030 . 1 . . . . 10 GLN HG2 . 11408 1 43 . 1 1 10 10 GLN HG3 H 1 2.362 0.030 . 1 . . . . 10 GLN HG3 . 11408 1 44 . 1 1 10 10 GLN C C 13 175.745 0.300 . 1 . . . . 10 GLN C . 11408 1 45 . 1 1 10 10 GLN CA C 13 56.021 0.300 . 1 . . . . 10 GLN CA . 11408 1 46 . 1 1 10 10 GLN CB C 13 29.482 0.300 . 1 . . . . 10 GLN CB . 11408 1 47 . 1 1 10 10 GLN CG C 13 33.848 0.300 . 1 . . . . 10 GLN CG . 11408 1 48 . 1 1 10 10 GLN N N 15 122.535 0.300 . 1 . . . . 10 GLN N . 11408 1 49 . 1 1 10 10 GLN NE2 N 15 112.465 0.300 . 1 . . . . 10 GLN NE2 . 11408 1 50 . 1 1 11 11 GLN H H 1 8.394 0.030 . 1 . . . . 11 GLN H . 11408 1 51 . 1 1 11 11 GLN HA H 1 4.363 0.030 . 1 . . . . 11 GLN HA . 11408 1 52 . 1 1 11 11 GLN HB2 H 1 2.108 0.030 . 2 . . . . 11 GLN HB2 . 11408 1 53 . 1 1 11 11 GLN HB3 H 1 2.000 0.030 . 2 . . . . 11 GLN HB3 . 11408 1 54 . 1 1 11 11 GLN HE21 H 1 7.555 0.030 . 2 . . . . 11 GLN HE21 . 11408 1 55 . 1 1 11 11 GLN HE22 H 1 7.094 0.030 . 2 . . . . 11 GLN HE22 . 11408 1 56 . 1 1 11 11 GLN HG2 H 1 2.371 0.030 . 1 . . . . 11 GLN HG2 . 11408 1 57 . 1 1 11 11 GLN HG3 H 1 2.371 0.030 . 1 . . . . 11 GLN HG3 . 11408 1 58 . 1 1 11 11 GLN C C 13 176.038 0.300 . 1 . . . . 11 GLN C . 11408 1 59 . 1 1 11 11 GLN CA C 13 55.951 0.300 . 1 . . . . 11 GLN CA . 11408 1 60 . 1 1 11 11 GLN CB C 13 29.676 0.300 . 1 . . . . 11 GLN CB . 11408 1 61 . 1 1 11 11 GLN CG C 13 33.752 0.300 . 1 . . . . 11 GLN CG . 11408 1 62 . 1 1 11 11 GLN N N 15 121.526 0.300 . 1 . . . . 11 GLN N . 11408 1 63 . 1 1 11 11 GLN NE2 N 15 113.082 0.300 . 1 . . . . 11 GLN NE2 . 11408 1 64 . 1 1 12 12 SER H H 1 8.500 0.030 . 1 . . . . 12 SER H . 11408 1 65 . 1 1 12 12 SER HA H 1 4.516 0.030 . 1 . . . . 12 SER HA . 11408 1 66 . 1 1 12 12 SER HB2 H 1 3.901 0.030 . 1 . . . . 12 SER HB2 . 11408 1 67 . 1 1 12 12 SER HB3 H 1 3.901 0.030 . 1 . . . . 12 SER HB3 . 11408 1 68 . 1 1 12 12 SER C C 13 174.861 0.300 . 1 . . . . 12 SER C . 11408 1 69 . 1 1 12 12 SER CA C 13 58.483 0.300 . 1 . . . . 12 SER CA . 11408 1 70 . 1 1 12 12 SER CB C 13 63.829 0.300 . 1 . . . . 12 SER CB . 11408 1 71 . 1 1 12 12 SER N N 15 118.079 0.300 . 1 . . . . 12 SER N . 11408 1 72 . 1 1 13 13 ILE H H 1 8.308 0.030 . 1 . . . . 13 ILE H . 11408 1 73 . 1 1 13 13 ILE HA H 1 4.183 0.030 . 1 . . . . 13 ILE HA . 11408 1 74 . 1 1 13 13 ILE HB H 1 1.907 0.030 . 1 . . . . 13 ILE HB . 11408 1 75 . 1 1 13 13 ILE HD11 H 1 0.866 0.030 . 1 . . . . 13 ILE HD1 . 11408 1 76 . 1 1 13 13 ILE HD12 H 1 0.866 0.030 . 1 . . . . 13 ILE HD1 . 11408 1 77 . 1 1 13 13 ILE HD13 H 1 0.866 0.030 . 1 . . . . 13 ILE HD1 . 11408 1 78 . 1 1 13 13 ILE HG12 H 1 1.494 0.030 . 2 . . . . 13 ILE HG12 . 11408 1 79 . 1 1 13 13 ILE HG13 H 1 1.222 0.030 . 2 . . . . 13 ILE HG13 . 11408 1 80 . 1 1 13 13 ILE HG21 H 1 0.931 0.030 . 1 . . . . 13 ILE HG2 . 11408 1 81 . 1 1 13 13 ILE HG22 H 1 0.931 0.030 . 1 . . . . 13 ILE HG2 . 11408 1 82 . 1 1 13 13 ILE HG23 H 1 0.931 0.030 . 1 . . . . 13 ILE HG2 . 11408 1 83 . 1 1 13 13 ILE C C 13 177.039 0.300 . 1 . . . . 13 ILE C . 11408 1 84 . 1 1 13 13 ILE CA C 13 61.733 0.300 . 1 . . . . 13 ILE CA . 11408 1 85 . 1 1 13 13 ILE CB C 13 38.617 0.300 . 1 . . . . 13 ILE CB . 11408 1 86 . 1 1 13 13 ILE CD1 C 13 13.116 0.300 . 1 . . . . 13 ILE CD1 . 11408 1 87 . 1 1 13 13 ILE CG1 C 13 27.511 0.300 . 1 . . . . 13 ILE CG1 . 11408 1 88 . 1 1 13 13 ILE CG2 C 13 17.520 0.300 . 1 . . . . 13 ILE CG2 . 11408 1 89 . 1 1 13 13 ILE N N 15 123.253 0.300 . 1 . . . . 13 ILE N . 11408 1 90 . 1 1 14 14 GLY H H 1 8.501 0.030 . 1 . . . . 14 GLY H . 11408 1 91 . 1 1 14 14 GLY HA2 H 1 3.979 0.030 . 2 . . . . 14 GLY HA2 . 11408 1 92 . 1 1 14 14 GLY HA3 H 1 3.929 0.030 . 2 . . . . 14 GLY HA3 . 11408 1 93 . 1 1 14 14 GLY C C 13 173.855 0.300 . 1 . . . . 14 GLY C . 11408 1 94 . 1 1 14 14 GLY CA C 13 45.436 0.300 . 1 . . . . 14 GLY CA . 11408 1 95 . 1 1 14 14 GLY N N 15 112.858 0.300 . 1 . . . . 14 GLY N . 11408 1 96 . 1 1 15 15 ALA H H 1 7.909 0.030 . 1 . . . . 15 ALA H . 11408 1 97 . 1 1 15 15 ALA HA H 1 4.225 0.030 . 1 . . . . 15 ALA HA . 11408 1 98 . 1 1 15 15 ALA HB1 H 1 1.228 0.030 . 1 . . . . 15 ALA HB . 11408 1 99 . 1 1 15 15 ALA HB2 H 1 1.228 0.030 . 1 . . . . 15 ALA HB . 11408 1 100 . 1 1 15 15 ALA HB3 H 1 1.228 0.030 . 1 . . . . 15 ALA HB . 11408 1 101 . 1 1 15 15 ALA C C 13 179.709 0.300 . 1 . . . . 15 ALA C . 11408 1 102 . 1 1 15 15 ALA CA C 13 53.859 0.300 . 1 . . . . 15 ALA CA . 11408 1 103 . 1 1 15 15 ALA CB C 13 20.122 0.300 . 1 . . . . 15 ALA CB . 11408 1 104 . 1 1 15 15 ALA N N 15 121.949 0.300 . 1 . . . . 15 ALA N . 11408 1 105 . 1 1 16 16 ALA H H 1 8.338 0.030 . 1 . . . . 16 ALA H . 11408 1 106 . 1 1 16 16 ALA HA H 1 4.315 0.030 . 1 . . . . 16 ALA HA . 11408 1 107 . 1 1 16 16 ALA HB1 H 1 1.328 0.030 . 1 . . . . 16 ALA HB . 11408 1 108 . 1 1 16 16 ALA HB2 H 1 1.328 0.030 . 1 . . . . 16 ALA HB . 11408 1 109 . 1 1 16 16 ALA HB3 H 1 1.328 0.030 . 1 . . . . 16 ALA HB . 11408 1 110 . 1 1 16 16 ALA C C 13 177.194 0.300 . 1 . . . . 16 ALA C . 11408 1 111 . 1 1 16 16 ALA CA C 13 53.311 0.300 . 1 . . . . 16 ALA CA . 11408 1 112 . 1 1 16 16 ALA CB C 13 17.481 0.300 . 1 . . . . 16 ALA CB . 11408 1 113 . 1 1 16 16 ALA N N 15 121.176 0.300 . 1 . . . . 16 ALA N . 11408 1 114 . 1 1 17 17 GLY H H 1 9.441 0.030 . 1 . . . . 17 GLY H . 11408 1 115 . 1 1 17 17 GLY HA2 H 1 4.331 0.030 . 2 . . . . 17 GLY HA2 . 11408 1 116 . 1 1 17 17 GLY HA3 H 1 3.761 0.030 . 2 . . . . 17 GLY HA3 . 11408 1 117 . 1 1 17 17 GLY C C 13 174.069 0.300 . 1 . . . . 17 GLY C . 11408 1 118 . 1 1 17 17 GLY CA C 13 45.779 0.300 . 1 . . . . 17 GLY CA . 11408 1 119 . 1 1 17 17 GLY N N 15 114.405 0.300 . 1 . . . . 17 GLY N . 11408 1 120 . 1 1 18 18 SER H H 1 7.523 0.030 . 1 . . . . 18 SER H . 11408 1 121 . 1 1 18 18 SER HA H 1 4.409 0.030 . 1 . . . . 18 SER HA . 11408 1 122 . 1 1 18 18 SER HB2 H 1 4.057 0.030 . 2 . . . . 18 SER HB2 . 11408 1 123 . 1 1 18 18 SER HB3 H 1 3.778 0.030 . 2 . . . . 18 SER HB3 . 11408 1 124 . 1 1 18 18 SER C C 13 173.358 0.300 . 1 . . . . 18 SER C . 11408 1 125 . 1 1 18 18 SER CA C 13 57.211 0.300 . 1 . . . . 18 SER CA . 11408 1 126 . 1 1 18 18 SER CB C 13 63.155 0.300 . 1 . . . . 18 SER CB . 11408 1 127 . 1 1 18 18 SER N N 15 114.945 0.300 . 1 . . . . 18 SER N . 11408 1 128 . 1 1 19 19 GLN H H 1 8.370 0.030 . 1 . . . . 19 GLN H . 11408 1 129 . 1 1 19 19 GLN HA H 1 4.571 0.030 . 1 . . . . 19 GLN HA . 11408 1 130 . 1 1 19 19 GLN HB2 H 1 1.929 0.030 . 2 . . . . 19 GLN HB2 . 11408 1 131 . 1 1 19 19 GLN HB3 H 1 1.751 0.030 . 2 . . . . 19 GLN HB3 . 11408 1 132 . 1 1 19 19 GLN HE21 H 1 7.586 0.030 . 2 . . . . 19 GLN HE21 . 11408 1 133 . 1 1 19 19 GLN HE22 H 1 7.005 0.030 . 2 . . . . 19 GLN HE22 . 11408 1 134 . 1 1 19 19 GLN HG2 H 1 2.231 0.030 . 1 . . . . 19 GLN HG2 . 11408 1 135 . 1 1 19 19 GLN HG3 H 1 2.231 0.030 . 1 . . . . 19 GLN HG3 . 11408 1 136 . 1 1 19 19 GLN C C 13 174.626 0.300 . 1 . . . . 19 GLN C . 11408 1 137 . 1 1 19 19 GLN CA C 13 54.108 0.300 . 1 . . . . 19 GLN CA . 11408 1 138 . 1 1 19 19 GLN CB C 13 29.982 0.300 . 1 . . . . 19 GLN CB . 11408 1 139 . 1 1 19 19 GLN CG C 13 33.904 0.300 . 1 . . . . 19 GLN CG . 11408 1 140 . 1 1 19 19 GLN N N 15 121.433 0.300 . 1 . . . . 19 GLN N . 11408 1 141 . 1 1 19 19 GLN NE2 N 15 113.145 0.300 . 1 . . . . 19 GLN NE2 . 11408 1 142 . 1 1 20 20 LYS H H 1 7.865 0.030 . 1 . . . . 20 LYS H . 11408 1 143 . 1 1 20 20 LYS HA H 1 3.857 0.030 . 1 . . . . 20 LYS HA . 11408 1 144 . 1 1 20 20 LYS HB2 H 1 1.565 0.030 . 1 . . . . 20 LYS HB2 . 11408 1 145 . 1 1 20 20 LYS HB3 H 1 1.565 0.030 . 1 . . . . 20 LYS HB3 . 11408 1 146 . 1 1 20 20 LYS HD2 H 1 1.621 0.030 . 2 . . . . 20 LYS HD2 . 11408 1 147 . 1 1 20 20 LYS HD3 H 1 1.575 0.030 . 2 . . . . 20 LYS HD3 . 11408 1 148 . 1 1 20 20 LYS HE2 H 1 2.946 0.030 . 1 . . . . 20 LYS HE2 . 11408 1 149 . 1 1 20 20 LYS HE3 H 1 2.946 0.030 . 1 . . . . 20 LYS HE3 . 11408 1 150 . 1 1 20 20 LYS HG2 H 1 1.349 0.030 . 2 . . . . 20 LYS HG2 . 11408 1 151 . 1 1 20 20 LYS HG3 H 1 1.286 0.030 . 2 . . . . 20 LYS HG3 . 11408 1 152 . 1 1 20 20 LYS C C 13 175.070 0.300 . 1 . . . . 20 LYS C . 11408 1 153 . 1 1 20 20 LYS CA C 13 56.747 0.300 . 1 . . . . 20 LYS CA . 11408 1 154 . 1 1 20 20 LYS CB C 13 32.995 0.300 . 1 . . . . 20 LYS CB . 11408 1 155 . 1 1 20 20 LYS CD C 13 29.117 0.300 . 1 . . . . 20 LYS CD . 11408 1 156 . 1 1 20 20 LYS CE C 13 42.232 0.300 . 1 . . . . 20 LYS CE . 11408 1 157 . 1 1 20 20 LYS CG C 13 24.607 0.300 . 1 . . . . 20 LYS CG . 11408 1 158 . 1 1 20 20 LYS N N 15 121.705 0.300 . 1 . . . . 20 LYS N . 11408 1 159 . 1 1 21 21 GLU H H 1 8.255 0.030 . 1 . . . . 21 GLU H . 11408 1 160 . 1 1 21 21 GLU HA H 1 4.420 0.030 . 1 . . . . 21 GLU HA . 11408 1 161 . 1 1 21 21 GLU HB2 H 1 2.071 0.030 . 2 . . . . 21 GLU HB2 . 11408 1 162 . 1 1 21 21 GLU HB3 H 1 1.862 0.030 . 2 . . . . 21 GLU HB3 . 11408 1 163 . 1 1 21 21 GLU HG2 H 1 2.147 0.030 . 2 . . . . 21 GLU HG2 . 11408 1 164 . 1 1 21 21 GLU HG3 H 1 2.110 0.030 . 2 . . . . 21 GLU HG3 . 11408 1 165 . 1 1 21 21 GLU C C 13 178.304 0.300 . 1 . . . . 21 GLU C . 11408 1 166 . 1 1 21 21 GLU CA C 13 56.108 0.300 . 1 . . . . 21 GLU CA . 11408 1 167 . 1 1 21 21 GLU CB C 13 31.920 0.300 . 1 . . . . 21 GLU CB . 11408 1 168 . 1 1 21 21 GLU CG C 13 36.357 0.300 . 1 . . . . 21 GLU CG . 11408 1 169 . 1 1 21 21 GLU N N 15 124.952 0.300 . 1 . . . . 21 GLU N . 11408 1 170 . 1 1 22 22 GLY H H 1 9.123 0.030 . 1 . . . . 22 GLY H . 11408 1 171 . 1 1 22 22 GLY HA2 H 1 4.432 0.030 . 2 . . . . 22 GLY HA2 . 11408 1 172 . 1 1 22 22 GLY HA3 H 1 4.269 0.030 . 2 . . . . 22 GLY HA3 . 11408 1 173 . 1 1 22 22 GLY CA C 13 43.529 0.300 . 1 . . . . 22 GLY CA . 11408 1 174 . 1 1 22 22 GLY N N 15 110.449 0.300 . 1 . . . . 22 GLY N . 11408 1 175 . 1 1 23 23 PRO HA H 1 4.479 0.030 . 1 . . . . 23 PRO HA . 11408 1 176 . 1 1 23 23 PRO HB2 H 1 2.393 0.030 . 2 . . . . 23 PRO HB2 . 11408 1 177 . 1 1 23 23 PRO HB3 H 1 1.916 0.030 . 2 . . . . 23 PRO HB3 . 11408 1 178 . 1 1 23 23 PRO HD2 H 1 3.805 0.030 . 2 . . . . 23 PRO HD2 . 11408 1 179 . 1 1 23 23 PRO HD3 H 1 3.576 0.030 . 2 . . . . 23 PRO HD3 . 11408 1 180 . 1 1 23 23 PRO HG2 H 1 2.038 0.030 . 2 . . . . 23 PRO HG2 . 11408 1 181 . 1 1 23 23 PRO HG3 H 1 1.664 0.030 . 2 . . . . 23 PRO HG3 . 11408 1 182 . 1 1 23 23 PRO C C 13 174.130 0.300 . 1 . . . . 23 PRO C . 11408 1 183 . 1 1 23 23 PRO CA C 13 62.487 0.300 . 1 . . . . 23 PRO CA . 11408 1 184 . 1 1 23 23 PRO CB C 13 32.748 0.300 . 1 . . . . 23 PRO CB . 11408 1 185 . 1 1 23 23 PRO CD C 13 48.920 0.300 . 1 . . . . 23 PRO CD . 11408 1 186 . 1 1 23 23 PRO CG C 13 27.247 0.300 . 1 . . . . 23 PRO CG . 11408 1 187 . 1 1 24 24 GLU H H 1 8.368 0.030 . 1 . . . . 24 GLU H . 11408 1 188 . 1 1 24 24 GLU HA H 1 4.109 0.030 . 1 . . . . 24 GLU HA . 11408 1 189 . 1 1 24 24 GLU HB2 H 1 2.062 0.030 . 2 . . . . 24 GLU HB2 . 11408 1 190 . 1 1 24 24 GLU HB3 H 1 1.938 0.030 . 2 . . . . 24 GLU HB3 . 11408 1 191 . 1 1 24 24 GLU HG2 H 1 2.322 0.030 . 1 . . . . 24 GLU HG2 . 11408 1 192 . 1 1 24 24 GLU HG3 H 1 2.322 0.030 . 1 . . . . 24 GLU HG3 . 11408 1 193 . 1 1 24 24 GLU C C 13 178.025 0.300 . 1 . . . . 24 GLU C . 11408 1 194 . 1 1 24 24 GLU CA C 13 58.323 0.300 . 1 . . . . 24 GLU CA . 11408 1 195 . 1 1 24 24 GLU CB C 13 29.404 0.300 . 1 . . . . 24 GLU CB . 11408 1 196 . 1 1 24 24 GLU CG C 13 35.982 0.300 . 1 . . . . 24 GLU CG . 11408 1 197 . 1 1 24 24 GLU N N 15 119.479 0.300 . 1 . . . . 24 GLU N . 11408 1 198 . 1 1 25 25 GLY H H 1 8.380 0.030 . 1 . . . . 25 GLY H . 11408 1 199 . 1 1 25 25 GLY HA2 H 1 4.380 0.030 . 2 . . . . 25 GLY HA2 . 11408 1 200 . 1 1 25 25 GLY HA3 H 1 3.835 0.030 . 2 . . . . 25 GLY HA3 . 11408 1 201 . 1 1 25 25 GLY C C 13 173.606 0.300 . 1 . . . . 25 GLY C . 11408 1 202 . 1 1 25 25 GLY CA C 13 45.608 0.300 . 1 . . . . 25 GLY CA . 11408 1 203 . 1 1 25 25 GLY N N 15 112.765 0.300 . 1 . . . . 25 GLY N . 11408 1 204 . 1 1 26 26 ALA H H 1 8.464 0.030 . 1 . . . . 26 ALA H . 11408 1 205 . 1 1 26 26 ALA HA H 1 4.707 0.030 . 1 . . . . 26 ALA HA . 11408 1 206 . 1 1 26 26 ALA HB1 H 1 1.185 0.030 . 1 . . . . 26 ALA HB . 11408 1 207 . 1 1 26 26 ALA HB2 H 1 1.185 0.030 . 1 . . . . 26 ALA HB . 11408 1 208 . 1 1 26 26 ALA HB3 H 1 1.185 0.030 . 1 . . . . 26 ALA HB . 11408 1 209 . 1 1 26 26 ALA C C 13 175.012 0.300 . 1 . . . . 26 ALA C . 11408 1 210 . 1 1 26 26 ALA CA C 13 50.811 0.300 . 1 . . . . 26 ALA CA . 11408 1 211 . 1 1 26 26 ALA CB C 13 21.122 0.300 . 1 . . . . 26 ALA CB . 11408 1 212 . 1 1 26 26 ALA N N 15 119.258 0.300 . 1 . . . . 26 ALA N . 11408 1 213 . 1 1 27 27 ASN H H 1 7.765 0.030 . 1 . . . . 27 ASN H . 11408 1 214 . 1 1 27 27 ASN HA H 1 5.673 0.030 . 1 . . . . 27 ASN HA . 11408 1 215 . 1 1 27 27 ASN HB2 H 1 2.957 0.030 . 1 . . . . 27 ASN HB2 . 11408 1 216 . 1 1 27 27 ASN HB3 H 1 2.957 0.030 . 1 . . . . 27 ASN HB3 . 11408 1 217 . 1 1 27 27 ASN HD21 H 1 8.207 0.030 . 2 . . . . 27 ASN HD21 . 11408 1 218 . 1 1 27 27 ASN HD22 H 1 6.768 0.030 . 2 . . . . 27 ASN HD22 . 11408 1 219 . 1 1 27 27 ASN C C 13 174.041 0.300 . 1 . . . . 27 ASN C . 11408 1 220 . 1 1 27 27 ASN CA C 13 53.170 0.300 . 1 . . . . 27 ASN CA . 11408 1 221 . 1 1 27 27 ASN CB C 13 40.935 0.300 . 1 . . . . 27 ASN CB . 11408 1 222 . 1 1 27 27 ASN N N 15 115.128 0.300 . 1 . . . . 27 ASN N . 11408 1 223 . 1 1 27 27 ASN ND2 N 15 119.479 0.300 . 1 . . . . 27 ASN ND2 . 11408 1 224 . 1 1 28 28 LEU H H 1 10.147 0.030 . 1 . . . . 28 LEU H . 11408 1 225 . 1 1 28 28 LEU HA H 1 4.962 0.030 . 1 . . . . 28 LEU HA . 11408 1 226 . 1 1 28 28 LEU HB2 H 1 1.819 0.030 . 2 . . . . 28 LEU HB2 . 11408 1 227 . 1 1 28 28 LEU HB3 H 1 1.131 0.030 . 2 . . . . 28 LEU HB3 . 11408 1 228 . 1 1 28 28 LEU HD11 H 1 0.877 0.030 . 1 . . . . 28 LEU HD1 . 11408 1 229 . 1 1 28 28 LEU HD12 H 1 0.877 0.030 . 1 . . . . 28 LEU HD1 . 11408 1 230 . 1 1 28 28 LEU HD13 H 1 0.877 0.030 . 1 . . . . 28 LEU HD1 . 11408 1 231 . 1 1 28 28 LEU HD21 H 1 0.758 0.030 . 1 . . . . 28 LEU HD2 . 11408 1 232 . 1 1 28 28 LEU HD22 H 1 0.758 0.030 . 1 . . . . 28 LEU HD2 . 11408 1 233 . 1 1 28 28 LEU HD23 H 1 0.758 0.030 . 1 . . . . 28 LEU HD2 . 11408 1 234 . 1 1 28 28 LEU HG H 1 1.703 0.030 . 1 . . . . 28 LEU HG . 11408 1 235 . 1 1 28 28 LEU C C 13 174.515 0.300 . 1 . . . . 28 LEU C . 11408 1 236 . 1 1 28 28 LEU CA C 13 54.126 0.300 . 1 . . . . 28 LEU CA . 11408 1 237 . 1 1 28 28 LEU CB C 13 45.108 0.300 . 1 . . . . 28 LEU CB . 11408 1 238 . 1 1 28 28 LEU CD1 C 13 27.107 0.300 . 2 . . . . 28 LEU CD1 . 11408 1 239 . 1 1 28 28 LEU CD2 C 13 24.895 0.300 . 2 . . . . 28 LEU CD2 . 11408 1 240 . 1 1 28 28 LEU CG C 13 26.904 0.300 . 1 . . . . 28 LEU CG . 11408 1 241 . 1 1 28 28 LEU N N 15 126.114 0.300 . 1 . . . . 28 LEU N . 11408 1 242 . 1 1 29 29 PHE H H 1 9.210 0.030 . 1 . . . . 29 PHE H . 11408 1 243 . 1 1 29 29 PHE HA H 1 4.582 0.030 . 1 . . . . 29 PHE HA . 11408 1 244 . 1 1 29 29 PHE HB2 H 1 2.864 0.030 . 2 . . . . 29 PHE HB2 . 11408 1 245 . 1 1 29 29 PHE HB3 H 1 2.504 0.030 . 2 . . . . 29 PHE HB3 . 11408 1 246 . 1 1 29 29 PHE HD1 H 1 6.673 0.030 . 1 . . . . 29 PHE HD1 . 11408 1 247 . 1 1 29 29 PHE HD2 H 1 6.673 0.030 . 1 . . . . 29 PHE HD2 . 11408 1 248 . 1 1 29 29 PHE HE1 H 1 6.583 0.030 . 1 . . . . 29 PHE HE1 . 11408 1 249 . 1 1 29 29 PHE HE2 H 1 6.583 0.030 . 1 . . . . 29 PHE HE2 . 11408 1 250 . 1 1 29 29 PHE HZ H 1 6.230 0.030 . 1 . . . . 29 PHE HZ . 11408 1 251 . 1 1 29 29 PHE C C 13 172.895 0.300 . 1 . . . . 29 PHE C . 11408 1 252 . 1 1 29 29 PHE CA C 13 56.249 0.300 . 1 . . . . 29 PHE CA . 11408 1 253 . 1 1 29 29 PHE CB C 13 42.936 0.300 . 1 . . . . 29 PHE CB . 11408 1 254 . 1 1 29 29 PHE CD1 C 13 131.235 0.300 . 1 . . . . 29 PHE CD1 . 11408 1 255 . 1 1 29 29 PHE CD2 C 13 131.235 0.300 . 1 . . . . 29 PHE CD2 . 11408 1 256 . 1 1 29 29 PHE CE1 C 13 131.235 0.300 . 1 . . . . 29 PHE CE1 . 11408 1 257 . 1 1 29 29 PHE CE2 C 13 131.235 0.300 . 1 . . . . 29 PHE CE2 . 11408 1 258 . 1 1 29 29 PHE CZ C 13 128.094 0.300 . 1 . . . . 29 PHE CZ . 11408 1 259 . 1 1 29 29 PHE N N 15 122.077 0.300 . 1 . . . . 29 PHE N . 11408 1 260 . 1 1 30 30 ILE H H 1 8.080 0.030 . 1 . . . . 30 ILE H . 11408 1 261 . 1 1 30 30 ILE HA H 1 4.909 0.030 . 1 . . . . 30 ILE HA . 11408 1 262 . 1 1 30 30 ILE HB H 1 1.034 0.030 . 1 . . . . 30 ILE HB . 11408 1 263 . 1 1 30 30 ILE HD11 H 1 0.181 0.030 . 1 . . . . 30 ILE HD1 . 11408 1 264 . 1 1 30 30 ILE HD12 H 1 0.181 0.030 . 1 . . . . 30 ILE HD1 . 11408 1 265 . 1 1 30 30 ILE HD13 H 1 0.181 0.030 . 1 . . . . 30 ILE HD1 . 11408 1 266 . 1 1 30 30 ILE HG12 H 1 1.064 0.030 . 2 . . . . 30 ILE HG12 . 11408 1 267 . 1 1 30 30 ILE HG13 H 1 0.881 0.030 . 2 . . . . 30 ILE HG13 . 11408 1 268 . 1 1 30 30 ILE HG21 H 1 0.704 0.030 . 1 . . . . 30 ILE HG2 . 11408 1 269 . 1 1 30 30 ILE HG22 H 1 0.704 0.030 . 1 . . . . 30 ILE HG2 . 11408 1 270 . 1 1 30 30 ILE HG23 H 1 0.704 0.030 . 1 . . . . 30 ILE HG2 . 11408 1 271 . 1 1 30 30 ILE CA C 13 58.967 0.300 . 1 . . . . 30 ILE CA . 11408 1 272 . 1 1 30 30 ILE CB C 13 41.107 0.300 . 1 . . . . 30 ILE CB . 11408 1 273 . 1 1 30 30 ILE CD1 C 13 16.903 0.300 . 1 . . . . 30 ILE CD1 . 11408 1 274 . 1 1 30 30 ILE CG1 C 13 29.716 0.300 . 1 . . . . 30 ILE CG1 . 11408 1 275 . 1 1 30 30 ILE CG2 C 13 20.995 0.300 . 1 . . . . 30 ILE CG2 . 11408 1 276 . 1 1 30 30 ILE N N 15 126.652 0.300 . 1 . . . . 30 ILE N . 11408 1 277 . 1 1 31 31 TYR H H 1 8.933 0.030 . 1 . . . . 31 TYR H . 11408 1 278 . 1 1 31 31 TYR HA H 1 4.531 0.030 . 1 . . . . 31 TYR HA . 11408 1 279 . 1 1 31 31 TYR HB2 H 1 2.460 0.030 . 2 . . . . 31 TYR HB2 . 11408 1 280 . 1 1 31 31 TYR HB3 H 1 2.210 0.030 . 2 . . . . 31 TYR HB3 . 11408 1 281 . 1 1 31 31 TYR HD1 H 1 5.995 0.030 . 1 . . . . 31 TYR HD1 . 11408 1 282 . 1 1 31 31 TYR HD2 H 1 5.995 0.030 . 1 . . . . 31 TYR HD2 . 11408 1 283 . 1 1 31 31 TYR HE1 H 1 6.272 0.030 . 1 . . . . 31 TYR HE1 . 11408 1 284 . 1 1 31 31 TYR HE2 H 1 6.272 0.030 . 1 . . . . 31 TYR HE2 . 11408 1 285 . 1 1 31 31 TYR CA C 13 56.725 0.300 . 1 . . . . 31 TYR CA . 11408 1 286 . 1 1 31 31 TYR CB C 13 41.998 0.300 . 1 . . . . 31 TYR CB . 11408 1 287 . 1 1 31 31 TYR CD1 C 13 132.640 0.300 . 1 . . . . 31 TYR CD1 . 11408 1 288 . 1 1 31 31 TYR CD2 C 13 132.640 0.300 . 1 . . . . 31 TYR CD2 . 11408 1 289 . 1 1 31 31 TYR CE1 C 13 117.705 0.300 . 1 . . . . 31 TYR CE1 . 11408 1 290 . 1 1 31 31 TYR CE2 C 13 117.705 0.300 . 1 . . . . 31 TYR CE2 . 11408 1 291 . 1 1 31 31 TYR N N 15 124.768 0.300 . 1 . . . . 31 TYR N . 11408 1 292 . 1 1 32 32 HIS H H 1 6.579 0.030 . 1 . . . . 32 HIS H . 11408 1 293 . 1 1 32 32 HIS HA H 1 4.047 0.030 . 1 . . . . 32 HIS HA . 11408 1 294 . 1 1 32 32 HIS HB2 H 1 3.807 0.030 . 2 . . . . 32 HIS HB2 . 11408 1 295 . 1 1 32 32 HIS HB3 H 1 3.134 0.030 . 2 . . . . 32 HIS HB3 . 11408 1 296 . 1 1 32 32 HIS HD2 H 1 7.045 0.030 . 1 . . . . 32 HIS HD2 . 11408 1 297 . 1 1 32 32 HIS HE1 H 1 8.091 0.030 . 1 . . . . 32 HIS HE1 . 11408 1 298 . 1 1 32 32 HIS CA C 13 57.350 0.300 . 1 . . . . 32 HIS CA . 11408 1 299 . 1 1 32 32 HIS CB C 13 26.620 0.300 . 1 . . . . 32 HIS CB . 11408 1 300 . 1 1 32 32 HIS CD2 C 13 120.640 0.300 . 1 . . . . 32 HIS CD2 . 11408 1 301 . 1 1 32 32 HIS CE1 C 13 138.602 0.300 . 1 . . . . 32 HIS CE1 . 11408 1 302 . 1 1 33 33 LEU H H 1 7.015 0.030 . 1 . . . . 33 LEU H . 11408 1 303 . 1 1 33 33 LEU HA H 1 3.839 0.030 . 1 . . . . 33 LEU HA . 11408 1 304 . 1 1 33 33 LEU HB2 H 1 1.019 0.030 . 2 . . . . 33 LEU HB2 . 11408 1 305 . 1 1 33 33 LEU HB3 H 1 0.802 0.030 . 2 . . . . 33 LEU HB3 . 11408 1 306 . 1 1 33 33 LEU HD11 H 1 0.518 0.030 . 1 . . . . 33 LEU HD1 . 11408 1 307 . 1 1 33 33 LEU HD12 H 1 0.518 0.030 . 1 . . . . 33 LEU HD1 . 11408 1 308 . 1 1 33 33 LEU HD13 H 1 0.518 0.030 . 1 . . . . 33 LEU HD1 . 11408 1 309 . 1 1 33 33 LEU HD21 H 1 0.574 0.030 . 1 . . . . 33 LEU HD2 . 11408 1 310 . 1 1 33 33 LEU HD22 H 1 0.574 0.030 . 1 . . . . 33 LEU HD2 . 11408 1 311 . 1 1 33 33 LEU HD23 H 1 0.574 0.030 . 1 . . . . 33 LEU HD2 . 11408 1 312 . 1 1 33 33 LEU HG H 1 1.153 0.030 . 1 . . . . 33 LEU HG . 11408 1 313 . 1 1 33 33 LEU CA C 13 52.951 0.300 . 1 . . . . 33 LEU CA . 11408 1 314 . 1 1 33 33 LEU CB C 13 42.373 0.300 . 1 . . . . 33 LEU CB . 11408 1 315 . 1 1 33 33 LEU CD1 C 13 26.270 0.300 . 2 . . . . 33 LEU CD1 . 11408 1 316 . 1 1 33 33 LEU CD2 C 13 23.935 0.300 . 2 . . . . 33 LEU CD2 . 11408 1 317 . 1 1 33 33 LEU CG C 13 27.076 0.300 . 1 . . . . 33 LEU CG . 11408 1 318 . 1 1 33 33 LEU N N 15 113.995 0.300 . 1 . . . . 33 LEU N . 11408 1 319 . 1 1 34 34 PRO HA H 1 4.263 0.030 . 1 . . . . 34 PRO HA . 11408 1 320 . 1 1 34 34 PRO HB2 H 1 2.373 0.030 . 2 . . . . 34 PRO HB2 . 11408 1 321 . 1 1 34 34 PRO HB3 H 1 1.467 0.030 . 2 . . . . 34 PRO HB3 . 11408 1 322 . 1 1 34 34 PRO HD2 H 1 3.241 0.030 . 2 . . . . 34 PRO HD2 . 11408 1 323 . 1 1 34 34 PRO HD3 H 1 2.256 0.030 . 2 . . . . 34 PRO HD3 . 11408 1 324 . 1 1 34 34 PRO HG2 H 1 1.637 0.030 . 2 . . . . 34 PRO HG2 . 11408 1 325 . 1 1 34 34 PRO HG3 H 1 1.349 0.030 . 2 . . . . 34 PRO HG3 . 11408 1 326 . 1 1 34 34 PRO CA C 13 62.670 0.300 . 1 . . . . 34 PRO CA . 11408 1 327 . 1 1 34 34 PRO CB C 13 32.290 0.300 . 1 . . . . 34 PRO CB . 11408 1 328 . 1 1 34 34 PRO CD C 13 49.482 0.300 . 1 . . . . 34 PRO CD . 11408 1 329 . 1 1 34 34 PRO CG C 13 28.279 0.300 . 1 . . . . 34 PRO CG . 11408 1 330 . 1 1 35 35 GLN H H 1 9.097 0.030 . 1 . . . . 35 GLN H . 11408 1 331 . 1 1 35 35 GLN HA H 1 4.033 0.030 . 1 . . . . 35 GLN HA . 11408 1 332 . 1 1 35 35 GLN HB2 H 1 2.065 0.030 . 2 . . . . 35 GLN HB2 . 11408 1 333 . 1 1 35 35 GLN HB3 H 1 2.016 0.030 . 2 . . . . 35 GLN HB3 . 11408 1 334 . 1 1 35 35 GLN HE21 H 1 7.624 0.030 . 2 . . . . 35 GLN HE21 . 11408 1 335 . 1 1 35 35 GLN HE22 H 1 7.058 0.030 . 2 . . . . 35 GLN HE22 . 11408 1 336 . 1 1 35 35 GLN HG2 H 1 2.461 0.030 . 2 . . . . 35 GLN HG2 . 11408 1 337 . 1 1 35 35 GLN HG3 H 1 2.382 0.030 . 2 . . . . 35 GLN HG3 . 11408 1 338 . 1 1 35 35 GLN C C 13 175.904 0.300 . 1 . . . . 35 GLN C . 11408 1 339 . 1 1 35 35 GLN CA C 13 59.186 0.300 . 1 . . . . 35 GLN CA . 11408 1 340 . 1 1 35 35 GLN CB C 13 29.078 0.300 . 1 . . . . 35 GLN CB . 11408 1 341 . 1 1 35 35 GLN CG C 13 34.472 0.300 . 1 . . . . 35 GLN CG . 11408 1 342 . 1 1 35 35 GLN N N 15 126.472 0.300 . 1 . . . . 35 GLN N . 11408 1 343 . 1 1 35 35 GLN NE2 N 15 113.027 0.300 . 1 . . . . 35 GLN NE2 . 11408 1 344 . 1 1 36 36 GLU H H 1 9.105 0.030 . 1 . . . . 36 GLU H . 11408 1 345 . 1 1 36 36 GLU HA H 1 4.296 0.030 . 1 . . . . 36 GLU HA . 11408 1 346 . 1 1 36 36 GLU HB2 H 1 2.150 0.030 . 2 . . . . 36 GLU HB2 . 11408 1 347 . 1 1 36 36 GLU HB3 H 1 2.095 0.030 . 2 . . . . 36 GLU HB3 . 11408 1 348 . 1 1 36 36 GLU HG2 H 1 2.354 0.030 . 1 . . . . 36 GLU HG2 . 11408 1 349 . 1 1 36 36 GLU HG3 H 1 2.354 0.030 . 1 . . . . 36 GLU HG3 . 11408 1 350 . 1 1 36 36 GLU C C 13 176.974 0.300 . 1 . . . . 36 GLU C . 11408 1 351 . 1 1 36 36 GLU CA C 13 57.139 0.300 . 1 . . . . 36 GLU CA . 11408 1 352 . 1 1 36 36 GLU CB C 13 28.621 0.300 . 1 . . . . 36 GLU CB . 11408 1 353 . 1 1 36 36 GLU CG C 13 36.357 0.300 . 1 . . . . 36 GLU CG . 11408 1 354 . 1 1 36 36 GLU N N 15 113.980 0.300 . 1 . . . . 36 GLU N . 11408 1 355 . 1 1 37 37 PHE H H 1 7.571 0.030 . 1 . . . . 37 PHE H . 11408 1 356 . 1 1 37 37 PHE HA H 1 4.608 0.030 . 1 . . . . 37 PHE HA . 11408 1 357 . 1 1 37 37 PHE HB2 H 1 3.370 0.030 . 2 . . . . 37 PHE HB2 . 11408 1 358 . 1 1 37 37 PHE HB3 H 1 2.803 0.030 . 2 . . . . 37 PHE HB3 . 11408 1 359 . 1 1 37 37 PHE HD1 H 1 6.971 0.030 . 1 . . . . 37 PHE HD1 . 11408 1 360 . 1 1 37 37 PHE HD2 H 1 6.971 0.030 . 1 . . . . 37 PHE HD2 . 11408 1 361 . 1 1 37 37 PHE HE1 H 1 7.351 0.030 . 1 . . . . 37 PHE HE1 . 11408 1 362 . 1 1 37 37 PHE HE2 H 1 7.351 0.030 . 1 . . . . 37 PHE HE2 . 11408 1 363 . 1 1 37 37 PHE HZ H 1 7.346 0.030 . 1 . . . . 37 PHE HZ . 11408 1 364 . 1 1 37 37 PHE C C 13 176.954 0.300 . 1 . . . . 37 PHE C . 11408 1 365 . 1 1 37 37 PHE CA C 13 58.452 0.300 . 1 . . . . 37 PHE CA . 11408 1 366 . 1 1 37 37 PHE CB C 13 39.559 0.300 . 1 . . . . 37 PHE CB . 11408 1 367 . 1 1 37 37 PHE CD1 C 13 129.735 0.300 . 1 . . . . 37 PHE CD1 . 11408 1 368 . 1 1 37 37 PHE CD2 C 13 129.735 0.300 . 1 . . . . 37 PHE CD2 . 11408 1 369 . 1 1 37 37 PHE CE1 C 13 131.927 0.300 . 1 . . . . 37 PHE CE1 . 11408 1 370 . 1 1 37 37 PHE CE2 C 13 131.927 0.300 . 1 . . . . 37 PHE CE2 . 11408 1 371 . 1 1 37 37 PHE CZ C 13 130.278 0.300 . 1 . . . . 37 PHE CZ . 11408 1 372 . 1 1 37 37 PHE N N 15 122.129 0.300 . 1 . . . . 37 PHE N . 11408 1 373 . 1 1 38 38 GLY H H 1 9.612 0.030 . 1 . . . . 38 GLY H . 11408 1 374 . 1 1 38 38 GLY HA2 H 1 4.658 0.030 . 2 . . . . 38 GLY HA2 . 11408 1 375 . 1 1 38 38 GLY HA3 H 1 3.896 0.030 . 2 . . . . 38 GLY HA3 . 11408 1 376 . 1 1 38 38 GLY C C 13 174.721 0.300 . 1 . . . . 38 GLY C . 11408 1 377 . 1 1 38 38 GLY CA C 13 43.357 0.300 . 1 . . . . 38 GLY CA . 11408 1 378 . 1 1 38 38 GLY N N 15 113.960 0.300 . 1 . . . . 38 GLY N . 11408 1 379 . 1 1 39 39 ASP H H 1 8.569 0.030 . 1 . . . . 39 ASP H . 11408 1 380 . 1 1 39 39 ASP HA H 1 4.074 0.030 . 1 . . . . 39 ASP HA . 11408 1 381 . 1 1 39 39 ASP HB2 H 1 2.750 0.030 . 2 . . . . 39 ASP HB2 . 11408 1 382 . 1 1 39 39 ASP HB3 H 1 2.536 0.030 . 2 . . . . 39 ASP HB3 . 11408 1 383 . 1 1 39 39 ASP C C 13 178.130 0.300 . 1 . . . . 39 ASP C . 11408 1 384 . 1 1 39 39 ASP CA C 13 58.608 0.300 . 1 . . . . 39 ASP CA . 11408 1 385 . 1 1 39 39 ASP CB C 13 41.357 0.300 . 1 . . . . 39 ASP CB . 11408 1 386 . 1 1 39 39 ASP N N 15 119.948 0.300 . 1 . . . . 39 ASP N . 11408 1 387 . 1 1 40 40 GLN H H 1 8.738 0.030 . 1 . . . . 40 GLN H . 11408 1 388 . 1 1 40 40 GLN HA H 1 3.898 0.030 . 1 . . . . 40 GLN HA . 11408 1 389 . 1 1 40 40 GLN HB2 H 1 2.045 0.030 . 2 . . . . 40 GLN HB2 . 11408 1 390 . 1 1 40 40 GLN HB3 H 1 1.986 0.030 . 2 . . . . 40 GLN HB3 . 11408 1 391 . 1 1 40 40 GLN HE21 H 1 7.534 0.030 . 2 . . . . 40 GLN HE21 . 11408 1 392 . 1 1 40 40 GLN HE22 H 1 6.797 0.030 . 2 . . . . 40 GLN HE22 . 11408 1 393 . 1 1 40 40 GLN HG2 H 1 2.364 0.030 . 1 . . . . 40 GLN HG2 . 11408 1 394 . 1 1 40 40 GLN HG3 H 1 2.364 0.030 . 1 . . . . 40 GLN HG3 . 11408 1 395 . 1 1 40 40 GLN C C 13 177.914 0.300 . 1 . . . . 40 GLN C . 11408 1 396 . 1 1 40 40 GLN CA C 13 58.737 0.300 . 1 . . . . 40 GLN CA . 11408 1 397 . 1 1 40 40 GLN CB C 13 27.809 0.300 . 1 . . . . 40 GLN CB . 11408 1 398 . 1 1 40 40 GLN CG C 13 33.578 0.300 . 1 . . . . 40 GLN CG . 11408 1 399 . 1 1 40 40 GLN N N 15 115.835 0.300 . 1 . . . . 40 GLN N . 11408 1 400 . 1 1 40 40 GLN NE2 N 15 111.234 0.300 . 1 . . . . 40 GLN NE2 . 11408 1 401 . 1 1 41 41 ASP H H 1 7.096 0.030 . 1 . . . . 41 ASP H . 11408 1 402 . 1 1 41 41 ASP HA H 1 3.989 0.030 . 1 . . . . 41 ASP HA . 11408 1 403 . 1 1 41 41 ASP HB2 H 1 1.939 0.030 . 2 . . . . 41 ASP HB2 . 11408 1 404 . 1 1 41 41 ASP HB3 H 1 1.100 0.030 . 2 . . . . 41 ASP HB3 . 11408 1 405 . 1 1 41 41 ASP C C 13 178.209 0.300 . 1 . . . . 41 ASP C . 11408 1 406 . 1 1 41 41 ASP CA C 13 56.858 0.300 . 1 . . . . 41 ASP CA . 11408 1 407 . 1 1 41 41 ASP CB C 13 39.872 0.300 . 1 . . . . 41 ASP CB . 11408 1 408 . 1 1 41 41 ASP N N 15 118.340 0.300 . 1 . . . . 41 ASP N . 11408 1 409 . 1 1 42 42 LEU H H 1 7.725 0.030 . 1 . . . . 42 LEU H . 11408 1 410 . 1 1 42 42 LEU HA H 1 4.144 0.030 . 1 . . . . 42 LEU HA . 11408 1 411 . 1 1 42 42 LEU HB2 H 1 1.901 0.030 . 2 . . . . 42 LEU HB2 . 11408 1 412 . 1 1 42 42 LEU HB3 H 1 1.322 0.030 . 2 . . . . 42 LEU HB3 . 11408 1 413 . 1 1 42 42 LEU HD11 H 1 0.690 0.030 . 1 . . . . 42 LEU HD1 . 11408 1 414 . 1 1 42 42 LEU HD12 H 1 0.690 0.030 . 1 . . . . 42 LEU HD1 . 11408 1 415 . 1 1 42 42 LEU HD13 H 1 0.690 0.030 . 1 . . . . 42 LEU HD1 . 11408 1 416 . 1 1 42 42 LEU HD21 H 1 0.899 0.030 . 1 . . . . 42 LEU HD2 . 11408 1 417 . 1 1 42 42 LEU HD22 H 1 0.899 0.030 . 1 . . . . 42 LEU HD2 . 11408 1 418 . 1 1 42 42 LEU HD23 H 1 0.899 0.030 . 1 . . . . 42 LEU HD2 . 11408 1 419 . 1 1 42 42 LEU HG H 1 1.397 0.030 . 1 . . . . 42 LEU HG . 11408 1 420 . 1 1 42 42 LEU C C 13 177.495 0.300 . 1 . . . . 42 LEU C . 11408 1 421 . 1 1 42 42 LEU CA C 13 57.873 0.300 . 1 . . . . 42 LEU CA . 11408 1 422 . 1 1 42 42 LEU CB C 13 42.670 0.300 . 1 . . . . 42 LEU CB . 11408 1 423 . 1 1 42 42 LEU CD1 C 13 26.501 0.300 . 2 . . . . 42 LEU CD1 . 11408 1 424 . 1 1 42 42 LEU CD2 C 13 24.869 0.300 . 2 . . . . 42 LEU CD2 . 11408 1 425 . 1 1 42 42 LEU CG C 13 26.529 0.300 . 1 . . . . 42 LEU CG . 11408 1 426 . 1 1 42 42 LEU N N 15 120.215 0.300 . 1 . . . . 42 LEU N . 11408 1 427 . 1 1 43 43 LEU H H 1 8.132 0.030 . 1 . . . . 43 LEU H . 11408 1 428 . 1 1 43 43 LEU HA H 1 3.784 0.030 . 1 . . . . 43 LEU HA . 11408 1 429 . 1 1 43 43 LEU HB2 H 1 2.036 0.030 . 2 . . . . 43 LEU HB2 . 11408 1 430 . 1 1 43 43 LEU HB3 H 1 1.438 0.030 . 2 . . . . 43 LEU HB3 . 11408 1 431 . 1 1 43 43 LEU HD11 H 1 0.988 0.030 . 1 . . . . 43 LEU HD1 . 11408 1 432 . 1 1 43 43 LEU HD12 H 1 0.988 0.030 . 1 . . . . 43 LEU HD1 . 11408 1 433 . 1 1 43 43 LEU HD13 H 1 0.988 0.030 . 1 . . . . 43 LEU HD1 . 11408 1 434 . 1 1 43 43 LEU HD21 H 1 0.870 0.030 . 1 . . . . 43 LEU HD2 . 11408 1 435 . 1 1 43 43 LEU HD22 H 1 0.870 0.030 . 1 . . . . 43 LEU HD2 . 11408 1 436 . 1 1 43 43 LEU HD23 H 1 0.870 0.030 . 1 . . . . 43 LEU HD2 . 11408 1 437 . 1 1 43 43 LEU HG H 1 1.555 0.030 . 1 . . . . 43 LEU HG . 11408 1 438 . 1 1 43 43 LEU C C 13 178.356 0.300 . 1 . . . . 43 LEU C . 11408 1 439 . 1 1 43 43 LEU CA C 13 59.014 0.300 . 1 . . . . 43 LEU CA . 11408 1 440 . 1 1 43 43 LEU CB C 13 42.411 0.300 . 1 . . . . 43 LEU CB . 11408 1 441 . 1 1 43 43 LEU CD1 C 13 26.685 0.300 . 2 . . . . 43 LEU CD1 . 11408 1 442 . 1 1 43 43 LEU CD2 C 13 24.791 0.300 . 2 . . . . 43 LEU CD2 . 11408 1 443 . 1 1 43 43 LEU CG C 13 27.279 0.300 . 1 . . . . 43 LEU CG . 11408 1 444 . 1 1 43 43 LEU N N 15 118.190 0.300 . 1 . . . . 43 LEU N . 11408 1 445 . 1 1 44 44 GLN H H 1 8.094 0.030 . 1 . . . . 44 GLN H . 11408 1 446 . 1 1 44 44 GLN HA H 1 3.979 0.030 . 1 . . . . 44 GLN HA . 11408 1 447 . 1 1 44 44 GLN HB2 H 1 2.129 0.030 . 1 . . . . 44 GLN HB2 . 11408 1 448 . 1 1 44 44 GLN HB3 H 1 2.129 0.030 . 1 . . . . 44 GLN HB3 . 11408 1 449 . 1 1 44 44 GLN HE21 H 1 7.376 0.030 . 2 . . . . 44 GLN HE21 . 11408 1 450 . 1 1 44 44 GLN HE22 H 1 6.843 0.030 . 2 . . . . 44 GLN HE22 . 11408 1 451 . 1 1 44 44 GLN HG2 H 1 2.514 0.030 . 2 . . . . 44 GLN HG2 . 11408 1 452 . 1 1 44 44 GLN HG3 H 1 2.440 0.030 . 2 . . . . 44 GLN HG3 . 11408 1 453 . 1 1 44 44 GLN C C 13 178.349 0.300 . 1 . . . . 44 GLN C . 11408 1 454 . 1 1 44 44 GLN CA C 13 59.108 0.300 . 1 . . . . 44 GLN CA . 11408 1 455 . 1 1 44 44 GLN CB C 13 28.467 0.300 . 1 . . . . 44 GLN CB . 11408 1 456 . 1 1 44 44 GLN CG C 13 34.189 0.300 . 1 . . . . 44 GLN CG . 11408 1 457 . 1 1 44 44 GLN N N 15 115.496 0.300 . 1 . . . . 44 GLN N . 11408 1 458 . 1 1 44 44 GLN NE2 N 15 111.496 0.300 . 1 . . . . 44 GLN NE2 . 11408 1 459 . 1 1 45 45 MET H H 1 7.592 0.030 . 1 . . . . 45 MET H . 11408 1 460 . 1 1 45 45 MET HA H 1 4.003 0.030 . 1 . . . . 45 MET HA . 11408 1 461 . 1 1 45 45 MET HB2 H 1 2.311 0.030 . 2 . . . . 45 MET HB2 . 11408 1 462 . 1 1 45 45 MET HB3 H 1 2.122 0.030 . 2 . . . . 45 MET HB3 . 11408 1 463 . 1 1 45 45 MET HE1 H 1 2.027 0.030 . 1 . . . . 45 MET HE . 11408 1 464 . 1 1 45 45 MET HE2 H 1 2.027 0.030 . 1 . . . . 45 MET HE . 11408 1 465 . 1 1 45 45 MET HE3 H 1 2.027 0.030 . 1 . . . . 45 MET HE . 11408 1 466 . 1 1 45 45 MET HG2 H 1 1.945 0.030 . 2 . . . . 45 MET HG2 . 11408 1 467 . 1 1 45 45 MET HG3 H 1 2.237 0.030 . 2 . . . . 45 MET HG3 . 11408 1 468 . 1 1 45 45 MET C C 13 175.712 0.300 . 1 . . . . 45 MET C . 11408 1 469 . 1 1 45 45 MET CA C 13 58.170 0.300 . 1 . . . . 45 MET CA . 11408 1 470 . 1 1 45 45 MET CB C 13 34.247 0.300 . 1 . . . . 45 MET CB . 11408 1 471 . 1 1 45 45 MET CE C 13 18.169 0.300 . 1 . . . . 45 MET CE . 11408 1 472 . 1 1 45 45 MET CG C 13 32.246 0.300 . 1 . . . . 45 MET CG . 11408 1 473 . 1 1 45 45 MET N N 15 116.082 0.300 . 1 . . . . 45 MET N . 11408 1 474 . 1 1 46 46 PHE H H 1 7.579 0.030 . 1 . . . . 46 PHE H . 11408 1 475 . 1 1 46 46 PHE HA H 1 4.772 0.030 . 1 . . . . 46 PHE HA . 11408 1 476 . 1 1 46 46 PHE HB2 H 1 3.720 0.030 . 2 . . . . 46 PHE HB2 . 11408 1 477 . 1 1 46 46 PHE HB3 H 1 2.688 0.030 . 2 . . . . 46 PHE HB3 . 11408 1 478 . 1 1 46 46 PHE HD1 H 1 7.904 0.030 . 1 . . . . 46 PHE HD1 . 11408 1 479 . 1 1 46 46 PHE HD2 H 1 7.904 0.030 . 1 . . . . 46 PHE HD2 . 11408 1 480 . 1 1 46 46 PHE HE1 H 1 6.937 0.030 . 1 . . . . 46 PHE HE1 . 11408 1 481 . 1 1 46 46 PHE HE2 H 1 6.937 0.030 . 1 . . . . 46 PHE HE2 . 11408 1 482 . 1 1 46 46 PHE HZ H 1 6.878 0.030 . 1 . . . . 46 PHE HZ . 11408 1 483 . 1 1 46 46 PHE C C 13 177.537 0.300 . 1 . . . . 46 PHE C . 11408 1 484 . 1 1 46 46 PHE CA C 13 60.011 0.300 . 1 . . . . 46 PHE CA . 11408 1 485 . 1 1 46 46 PHE CB C 13 39.372 0.300 . 1 . . . . 46 PHE CB . 11408 1 486 . 1 1 46 46 PHE CD1 C 13 132.274 0.300 . 1 . . . . 46 PHE CD1 . 11408 1 487 . 1 1 46 46 PHE CD2 C 13 132.274 0.300 . 1 . . . . 46 PHE CD2 . 11408 1 488 . 1 1 46 46 PHE CE1 C 13 130.418 0.300 . 1 . . . . 46 PHE CE1 . 11408 1 489 . 1 1 46 46 PHE CE2 C 13 130.418 0.300 . 1 . . . . 46 PHE CE2 . 11408 1 490 . 1 1 46 46 PHE CZ C 13 128.242 0.300 . 1 . . . . 46 PHE CZ . 11408 1 491 . 1 1 46 46 PHE N N 15 112.801 0.300 . 1 . . . . 46 PHE N . 11408 1 492 . 1 1 47 47 MET H H 1 8.326 0.030 . 1 . . . . 47 MET H . 11408 1 493 . 1 1 47 47 MET HA H 1 4.677 0.030 . 1 . . . . 47 MET HA . 11408 1 494 . 1 1 47 47 MET HB2 H 1 2.279 0.030 . 2 . . . . 47 MET HB2 . 11408 1 495 . 1 1 47 47 MET HB3 H 1 2.232 0.030 . 2 . . . . 47 MET HB3 . 11408 1 496 . 1 1 47 47 MET HE1 H 1 2.120 0.030 . 1 . . . . 47 MET HE . 11408 1 497 . 1 1 47 47 MET HE2 H 1 2.120 0.030 . 1 . . . . 47 MET HE . 11408 1 498 . 1 1 47 47 MET HE3 H 1 2.120 0.030 . 1 . . . . 47 MET HE . 11408 1 499 . 1 1 47 47 MET HG2 H 1 2.796 0.030 . 1 . . . . 47 MET HG2 . 11408 1 500 . 1 1 47 47 MET HG3 H 1 2.796 0.030 . 1 . . . . 47 MET HG3 . 11408 1 501 . 1 1 47 47 MET CA C 13 59.667 0.300 . 1 . . . . 47 MET CA . 11408 1 502 . 1 1 47 47 MET CB C 13 32.222 0.300 . 1 . . . . 47 MET CB . 11408 1 503 . 1 1 47 47 MET CE C 13 16.478 0.300 . 1 . . . . 47 MET CE . 11408 1 504 . 1 1 47 47 MET CG C 13 32.100 0.300 . 1 . . . . 47 MET CG . 11408 1 505 . 1 1 47 47 MET N N 15 127.608 0.300 . 1 . . . . 47 MET N . 11408 1 506 . 1 1 48 48 PRO HA H 1 4.104 0.030 . 1 . . . . 48 PRO HA . 11408 1 507 . 1 1 48 48 PRO HB2 H 1 1.913 0.030 . 2 . . . . 48 PRO HB2 . 11408 1 508 . 1 1 48 48 PRO HB3 H 1 0.161 0.030 . 2 . . . . 48 PRO HB3 . 11408 1 509 . 1 1 48 48 PRO HD2 H 1 3.613 0.030 . 2 . . . . 48 PRO HD2 . 11408 1 510 . 1 1 48 48 PRO HD3 H 1 2.915 0.030 . 2 . . . . 48 PRO HD3 . 11408 1 511 . 1 1 48 48 PRO HG2 H 1 1.657 0.030 . 2 . . . . 48 PRO HG2 . 11408 1 512 . 1 1 48 48 PRO HG3 H 1 1.621 0.030 . 2 . . . . 48 PRO HG3 . 11408 1 513 . 1 1 48 48 PRO C C 13 177.221 0.300 . 1 . . . . 48 PRO C . 11408 1 514 . 1 1 48 48 PRO CA C 13 65.667 0.300 . 1 . . . . 48 PRO CA . 11408 1 515 . 1 1 48 48 PRO CB C 13 31.100 0.300 . 1 . . . . 48 PRO CB . 11408 1 516 . 1 1 48 48 PRO CD C 13 51.647 0.300 . 1 . . . . 48 PRO CD . 11408 1 517 . 1 1 48 48 PRO CG C 13 27.916 0.300 . 1 . . . . 48 PRO CG . 11408 1 518 . 1 1 49 49 PHE H H 1 6.631 0.030 . 1 . . . . 49 PHE H . 11408 1 519 . 1 1 49 49 PHE HA H 1 4.357 0.030 . 1 . . . . 49 PHE HA . 11408 1 520 . 1 1 49 49 PHE HB2 H 1 3.414 0.030 . 2 . . . . 49 PHE HB2 . 11408 1 521 . 1 1 49 49 PHE HB3 H 1 2.870 0.030 . 2 . . . . 49 PHE HB3 . 11408 1 522 . 1 1 49 49 PHE HD1 H 1 7.310 0.030 . 1 . . . . 49 PHE HD1 . 11408 1 523 . 1 1 49 49 PHE HD2 H 1 7.310 0.030 . 1 . . . . 49 PHE HD2 . 11408 1 524 . 1 1 49 49 PHE HE1 H 1 7.229 0.030 . 1 . . . . 49 PHE HE1 . 11408 1 525 . 1 1 49 49 PHE HE2 H 1 7.229 0.030 . 1 . . . . 49 PHE HE2 . 11408 1 526 . 1 1 49 49 PHE HZ H 1 7.180 0.030 . 1 . . . . 49 PHE HZ . 11408 1 527 . 1 1 49 49 PHE C C 13 174.791 0.300 . 1 . . . . 49 PHE C . 11408 1 528 . 1 1 49 49 PHE CA C 13 58.376 0.300 . 1 . . . . 49 PHE CA . 11408 1 529 . 1 1 49 49 PHE CB C 13 38.560 0.300 . 1 . . . . 49 PHE CB . 11408 1 530 . 1 1 49 49 PHE CD1 C 13 131.101 0.300 . 1 . . . . 49 PHE CD1 . 11408 1 531 . 1 1 49 49 PHE CD2 C 13 131.101 0.300 . 1 . . . . 49 PHE CD2 . 11408 1 532 . 1 1 49 49 PHE CE1 C 13 131.836 0.300 . 1 . . . . 49 PHE CE1 . 11408 1 533 . 1 1 49 49 PHE CE2 C 13 131.836 0.300 . 1 . . . . 49 PHE CE2 . 11408 1 534 . 1 1 49 49 PHE CZ C 13 129.764 0.300 . 1 . . . . 49 PHE CZ . 11408 1 535 . 1 1 49 49 PHE N N 15 110.121 0.300 . 1 . . . . 49 PHE N . 11408 1 536 . 1 1 50 50 GLY H H 1 7.700 0.030 . 1 . . . . 50 GLY H . 11408 1 537 . 1 1 50 50 GLY HA2 H 1 4.254 0.030 . 2 . . . . 50 GLY HA2 . 11408 1 538 . 1 1 50 50 GLY HA3 H 1 3.947 0.030 . 2 . . . . 50 GLY HA3 . 11408 1 539 . 1 1 50 50 GLY C C 13 170.374 0.300 . 1 . . . . 50 GLY C . 11408 1 540 . 1 1 50 50 GLY CA C 13 44.897 0.300 . 1 . . . . 50 GLY CA . 11408 1 541 . 1 1 50 50 GLY N N 15 105.726 0.300 . 1 . . . . 50 GLY N . 11408 1 542 . 1 1 51 51 ASN H H 1 9.058 0.030 . 1 . . . . 51 ASN H . 11408 1 543 . 1 1 51 51 ASN HA H 1 4.707 0.030 . 1 . . . . 51 ASN HA . 11408 1 544 . 1 1 51 51 ASN HB2 H 1 2.851 0.030 . 2 . . . . 51 ASN HB2 . 11408 1 545 . 1 1 51 51 ASN HB3 H 1 2.809 0.030 . 2 . . . . 51 ASN HB3 . 11408 1 546 . 1 1 51 51 ASN HD21 H 1 7.834 0.030 . 2 . . . . 51 ASN HD21 . 11408 1 547 . 1 1 51 51 ASN HD22 H 1 6.834 0.030 . 2 . . . . 51 ASN HD22 . 11408 1 548 . 1 1 51 51 ASN C C 13 173.743 0.300 . 1 . . . . 51 ASN C . 11408 1 549 . 1 1 51 51 ASN CA C 13 53.248 0.300 . 1 . . . . 51 ASN CA . 11408 1 550 . 1 1 51 51 ASN CB C 13 37.747 0.300 . 1 . . . . 51 ASN CB . 11408 1 551 . 1 1 51 51 ASN N N 15 117.420 0.300 . 1 . . . . 51 ASN N . 11408 1 552 . 1 1 51 51 ASN ND2 N 15 113.004 0.300 . 1 . . . . 51 ASN ND2 . 11408 1 553 . 1 1 52 52 VAL H H 1 8.435 0.030 . 1 . . . . 52 VAL H . 11408 1 554 . 1 1 52 52 VAL HA H 1 3.815 0.030 . 1 . . . . 52 VAL HA . 11408 1 555 . 1 1 52 52 VAL HB H 1 1.863 0.030 . 1 . . . . 52 VAL HB . 11408 1 556 . 1 1 52 52 VAL HG11 H 1 0.642 0.030 . 1 . . . . 52 VAL HG1 . 11408 1 557 . 1 1 52 52 VAL HG12 H 1 0.642 0.030 . 1 . . . . 52 VAL HG1 . 11408 1 558 . 1 1 52 52 VAL HG13 H 1 0.642 0.030 . 1 . . . . 52 VAL HG1 . 11408 1 559 . 1 1 52 52 VAL HG21 H 1 0.750 0.030 . 1 . . . . 52 VAL HG2 . 11408 1 560 . 1 1 52 52 VAL HG22 H 1 0.750 0.030 . 1 . . . . 52 VAL HG2 . 11408 1 561 . 1 1 52 52 VAL HG23 H 1 0.750 0.030 . 1 . . . . 52 VAL HG2 . 11408 1 562 . 1 1 52 52 VAL C C 13 176.316 0.300 . 1 . . . . 52 VAL C . 11408 1 563 . 1 1 52 52 VAL CA C 13 62.713 0.300 . 1 . . . . 52 VAL CA . 11408 1 564 . 1 1 52 52 VAL CB C 13 32.232 0.300 . 1 . . . . 52 VAL CB . 11408 1 565 . 1 1 52 52 VAL CG1 C 13 23.842 0.300 . 2 . . . . 52 VAL CG1 . 11408 1 566 . 1 1 52 52 VAL CG2 C 13 22.467 0.300 . 2 . . . . 52 VAL CG2 . 11408 1 567 . 1 1 52 52 VAL N N 15 128.067 0.300 . 1 . . . . 52 VAL N . 11408 1 568 . 1 1 53 53 VAL H H 1 9.093 0.030 . 1 . . . . 53 VAL H . 11408 1 569 . 1 1 53 53 VAL HA H 1 3.889 0.030 . 1 . . . . 53 VAL HA . 11408 1 570 . 1 1 53 53 VAL HB H 1 1.736 0.030 . 1 . . . . 53 VAL HB . 11408 1 571 . 1 1 53 53 VAL HG11 H 1 0.747 0.030 . 1 . . . . 53 VAL HG1 . 11408 1 572 . 1 1 53 53 VAL HG12 H 1 0.747 0.030 . 1 . . . . 53 VAL HG1 . 11408 1 573 . 1 1 53 53 VAL HG13 H 1 0.747 0.030 . 1 . . . . 53 VAL HG1 . 11408 1 574 . 1 1 53 53 VAL HG21 H 1 0.728 0.030 . 1 . . . . 53 VAL HG2 . 11408 1 575 . 1 1 53 53 VAL HG22 H 1 0.728 0.030 . 1 . . . . 53 VAL HG2 . 11408 1 576 . 1 1 53 53 VAL HG23 H 1 0.728 0.030 . 1 . . . . 53 VAL HG2 . 11408 1 577 . 1 1 53 53 VAL C C 13 176.138 0.300 . 1 . . . . 53 VAL C . 11408 1 578 . 1 1 53 53 VAL CA C 13 63.344 0.300 . 1 . . . . 53 VAL CA . 11408 1 579 . 1 1 53 53 VAL CB C 13 32.716 0.300 . 1 . . . . 53 VAL CB . 11408 1 580 . 1 1 53 53 VAL CG1 C 13 20.989 0.300 . 2 . . . . 53 VAL CG1 . 11408 1 581 . 1 1 53 53 VAL CG2 C 13 20.669 0.300 . 2 . . . . 53 VAL CG2 . 11408 1 582 . 1 1 53 53 VAL N N 15 127.956 0.300 . 1 . . . . 53 VAL N . 11408 1 583 . 1 1 54 54 SER H H 1 7.627 0.030 . 1 . . . . 54 SER H . 11408 1 584 . 1 1 54 54 SER HA H 1 4.824 0.030 . 1 . . . . 54 SER HA . 11408 1 585 . 1 1 54 54 SER HB2 H 1 3.978 0.030 . 2 . . . . 54 SER HB2 . 11408 1 586 . 1 1 54 54 SER HB3 H 1 3.727 0.030 . 2 . . . . 54 SER HB3 . 11408 1 587 . 1 1 54 54 SER C C 13 171.050 0.300 . 1 . . . . 54 SER C . 11408 1 588 . 1 1 54 54 SER CA C 13 57.170 0.300 . 1 . . . . 54 SER CA . 11408 1 589 . 1 1 54 54 SER CB C 13 63.483 0.300 . 1 . . . . 54 SER CB . 11408 1 590 . 1 1 54 54 SER N N 15 111.234 0.300 . 1 . . . . 54 SER N . 11408 1 591 . 1 1 55 55 ALA H H 1 7.865 0.030 . 1 . . . . 55 ALA H . 11408 1 592 . 1 1 55 55 ALA HA H 1 5.239 0.030 . 1 . . . . 55 ALA HA . 11408 1 593 . 1 1 55 55 ALA HB1 H 1 1.207 0.030 . 1 . . . . 55 ALA HB . 11408 1 594 . 1 1 55 55 ALA HB2 H 1 1.207 0.030 . 1 . . . . 55 ALA HB . 11408 1 595 . 1 1 55 55 ALA HB3 H 1 1.207 0.030 . 1 . . . . 55 ALA HB . 11408 1 596 . 1 1 55 55 ALA C C 13 174.389 0.300 . 1 . . . . 55 ALA C . 11408 1 597 . 1 1 55 55 ALA CA C 13 51.643 0.300 . 1 . . . . 55 ALA CA . 11408 1 598 . 1 1 55 55 ALA CB C 13 21.732 0.300 . 1 . . . . 55 ALA CB . 11408 1 599 . 1 1 55 55 ALA N N 15 121.605 0.300 . 1 . . . . 55 ALA N . 11408 1 600 . 1 1 56 56 LYS H H 1 9.189 0.030 . 1 . . . . 56 LYS H . 11408 1 601 . 1 1 56 56 LYS HA H 1 4.849 0.030 . 1 . . . . 56 LYS HA . 11408 1 602 . 1 1 56 56 LYS HB2 H 1 2.113 0.030 . 2 . . . . 56 LYS HB2 . 11408 1 603 . 1 1 56 56 LYS HB3 H 1 2.040 0.030 . 2 . . . . 56 LYS HB3 . 11408 1 604 . 1 1 56 56 LYS HD2 H 1 1.877 0.030 . 2 . . . . 56 LYS HD2 . 11408 1 605 . 1 1 56 56 LYS HD3 H 1 1.690 0.030 . 2 . . . . 56 LYS HD3 . 11408 1 606 . 1 1 56 56 LYS HE2 H 1 3.155 0.030 . 2 . . . . 56 LYS HE2 . 11408 1 607 . 1 1 56 56 LYS HE3 H 1 3.114 0.030 . 2 . . . . 56 LYS HE3 . 11408 1 608 . 1 1 56 56 LYS HG2 H 1 1.621 0.030 . 2 . . . . 56 LYS HG2 . 11408 1 609 . 1 1 56 56 LYS HG3 H 1 1.327 0.030 . 2 . . . . 56 LYS HG3 . 11408 1 610 . 1 1 56 56 LYS C C 13 174.454 0.300 . 1 . . . . 56 LYS C . 11408 1 611 . 1 1 56 56 LYS CA C 13 54.592 0.300 . 1 . . . . 56 LYS CA . 11408 1 612 . 1 1 56 56 LYS CB C 13 37.560 0.300 . 1 . . . . 56 LYS CB . 11408 1 613 . 1 1 56 56 LYS CD C 13 29.091 0.300 . 1 . . . . 56 LYS CD . 11408 1 614 . 1 1 56 56 LYS CE C 13 43.357 0.300 . 1 . . . . 56 LYS CE . 11408 1 615 . 1 1 56 56 LYS CG C 13 25.263 0.300 . 1 . . . . 56 LYS CG . 11408 1 616 . 1 1 56 56 LYS N N 15 124.739 0.300 . 1 . . . . 56 LYS N . 11408 1 617 . 1 1 57 57 VAL H H 1 9.181 0.030 . 1 . . . . 57 VAL H . 11408 1 618 . 1 1 57 57 VAL HA H 1 3.972 0.030 . 1 . . . . 57 VAL HA . 11408 1 619 . 1 1 57 57 VAL HB H 1 1.926 0.030 . 1 . . . . 57 VAL HB . 11408 1 620 . 1 1 57 57 VAL HG11 H 1 0.777 0.030 . 1 . . . . 57 VAL HG1 . 11408 1 621 . 1 1 57 57 VAL HG12 H 1 0.777 0.030 . 1 . . . . 57 VAL HG1 . 11408 1 622 . 1 1 57 57 VAL HG13 H 1 0.777 0.030 . 1 . . . . 57 VAL HG1 . 11408 1 623 . 1 1 57 57 VAL HG21 H 1 0.884 0.030 . 1 . . . . 57 VAL HG2 . 11408 1 624 . 1 1 57 57 VAL HG22 H 1 0.884 0.030 . 1 . . . . 57 VAL HG2 . 11408 1 625 . 1 1 57 57 VAL HG23 H 1 0.884 0.030 . 1 . . . . 57 VAL HG2 . 11408 1 626 . 1 1 57 57 VAL C C 13 175.022 0.300 . 1 . . . . 57 VAL C . 11408 1 627 . 1 1 57 57 VAL CA C 13 63.170 0.300 . 1 . . . . 57 VAL CA . 11408 1 628 . 1 1 57 57 VAL CB C 13 33.045 0.300 . 1 . . . . 57 VAL CB . 11408 1 629 . 1 1 57 57 VAL CG1 C 13 23.357 0.300 . 2 . . . . 57 VAL CG1 . 11408 1 630 . 1 1 57 57 VAL CG2 C 13 21.653 0.300 . 2 . . . . 57 VAL CG2 . 11408 1 631 . 1 1 57 57 VAL N N 15 129.049 0.300 . 1 . . . . 57 VAL N . 11408 1 632 . 1 1 58 58 PHE H H 1 8.899 0.030 . 1 . . . . 58 PHE H . 11408 1 633 . 1 1 58 58 PHE HA H 1 4.206 0.030 . 1 . . . . 58 PHE HA . 11408 1 634 . 1 1 58 58 PHE HB2 H 1 1.953 0.030 . 2 . . . . 58 PHE HB2 . 11408 1 635 . 1 1 58 58 PHE HB3 H 1 1.792 0.030 . 2 . . . . 58 PHE HB3 . 11408 1 636 . 1 1 58 58 PHE HD1 H 1 6.690 0.030 . 1 . . . . 58 PHE HD1 . 11408 1 637 . 1 1 58 58 PHE HD2 H 1 6.690 0.030 . 1 . . . . 58 PHE HD2 . 11408 1 638 . 1 1 58 58 PHE HE1 H 1 7.096 0.030 . 1 . . . . 58 PHE HE1 . 11408 1 639 . 1 1 58 58 PHE HE2 H 1 7.096 0.030 . 1 . . . . 58 PHE HE2 . 11408 1 640 . 1 1 58 58 PHE HZ H 1 7.180 0.030 . 1 . . . . 58 PHE HZ . 11408 1 641 . 1 1 58 58 PHE C C 13 173.487 0.300 . 1 . . . . 58 PHE C . 11408 1 642 . 1 1 58 58 PHE CA C 13 58.389 0.300 . 1 . . . . 58 PHE CA . 11408 1 643 . 1 1 58 58 PHE CB C 13 40.772 0.300 . 1 . . . . 58 PHE CB . 11408 1 644 . 1 1 58 58 PHE CD1 C 13 131.489 0.300 . 1 . . . . 58 PHE CD1 . 11408 1 645 . 1 1 58 58 PHE CD2 C 13 131.489 0.300 . 1 . . . . 58 PHE CD2 . 11408 1 646 . 1 1 58 58 PHE CE1 C 13 130.852 0.300 . 1 . . . . 58 PHE CE1 . 11408 1 647 . 1 1 58 58 PHE CE2 C 13 130.852 0.300 . 1 . . . . 58 PHE CE2 . 11408 1 648 . 1 1 58 58 PHE CZ C 13 129.790 0.300 . 1 . . . . 58 PHE CZ . 11408 1 649 . 1 1 58 58 PHE N N 15 130.809 0.300 . 1 . . . . 58 PHE N . 11408 1 650 . 1 1 59 59 ILE H H 1 8.505 0.030 . 1 . . . . 59 ILE H . 11408 1 651 . 1 1 59 59 ILE HA H 1 4.377 0.030 . 1 . . . . 59 ILE HA . 11408 1 652 . 1 1 59 59 ILE HB H 1 1.680 0.030 . 1 . . . . 59 ILE HB . 11408 1 653 . 1 1 59 59 ILE HD11 H 1 0.663 0.030 . 1 . . . . 59 ILE HD1 . 11408 1 654 . 1 1 59 59 ILE HD12 H 1 0.663 0.030 . 1 . . . . 59 ILE HD1 . 11408 1 655 . 1 1 59 59 ILE HD13 H 1 0.663 0.030 . 1 . . . . 59 ILE HD1 . 11408 1 656 . 1 1 59 59 ILE HG12 H 1 1.417 0.030 . 2 . . . . 59 ILE HG12 . 11408 1 657 . 1 1 59 59 ILE HG13 H 1 1.316 0.030 . 2 . . . . 59 ILE HG13 . 11408 1 658 . 1 1 59 59 ILE HG21 H 1 0.632 0.030 . 1 . . . . 59 ILE HG2 . 11408 1 659 . 1 1 59 59 ILE HG22 H 1 0.632 0.030 . 1 . . . . 59 ILE HG2 . 11408 1 660 . 1 1 59 59 ILE HG23 H 1 0.632 0.030 . 1 . . . . 59 ILE HG2 . 11408 1 661 . 1 1 59 59 ILE C C 13 176.318 0.300 . 1 . . . . 59 ILE C . 11408 1 662 . 1 1 59 59 ILE CA C 13 57.871 0.300 . 1 . . . . 59 ILE CA . 11408 1 663 . 1 1 59 59 ILE CB C 13 39.232 0.300 . 1 . . . . 59 ILE CB . 11408 1 664 . 1 1 59 59 ILE CD1 C 13 10.341 0.300 . 1 . . . . 59 ILE CD1 . 11408 1 665 . 1 1 59 59 ILE CG1 C 13 26.349 0.300 . 1 . . . . 59 ILE CG1 . 11408 1 666 . 1 1 59 59 ILE CG2 C 13 16.914 0.300 . 1 . . . . 59 ILE CG2 . 11408 1 667 . 1 1 59 59 ILE N N 15 129.045 0.300 . 1 . . . . 59 ILE N . 11408 1 668 . 1 1 60 60 ASP H H 1 8.672 0.030 . 1 . . . . 60 ASP H . 11408 1 669 . 1 1 60 60 ASP HA H 1 4.842 0.030 . 1 . . . . 60 ASP HA . 11408 1 670 . 1 1 60 60 ASP HB2 H 1 3.397 0.030 . 2 . . . . 60 ASP HB2 . 11408 1 671 . 1 1 60 60 ASP HB3 H 1 2.568 0.030 . 2 . . . . 60 ASP HB3 . 11408 1 672 . 1 1 60 60 ASP C C 13 177.346 0.300 . 1 . . . . 60 ASP C . 11408 1 673 . 1 1 60 60 ASP CA C 13 54.165 0.300 . 1 . . . . 60 ASP CA . 11408 1 674 . 1 1 60 60 ASP CB C 13 42.850 0.300 . 1 . . . . 60 ASP CB . 11408 1 675 . 1 1 60 60 ASP N N 15 127.101 0.300 . 1 . . . . 60 ASP N . 11408 1 676 . 1 1 61 61 LYS H H 1 9.180 0.030 . 1 . . . . 61 LYS H . 11408 1 677 . 1 1 61 61 LYS HA H 1 4.066 0.030 . 1 . . . . 61 LYS HA . 11408 1 678 . 1 1 61 61 LYS HB2 H 1 1.880 0.030 . 2 . . . . 61 LYS HB2 . 11408 1 679 . 1 1 61 61 LYS HB3 H 1 1.829 0.030 . 2 . . . . 61 LYS HB3 . 11408 1 680 . 1 1 61 61 LYS HD2 H 1 1.644 0.030 . 1 . . . . 61 LYS HD2 . 11408 1 681 . 1 1 61 61 LYS HD3 H 1 1.644 0.030 . 1 . . . . 61 LYS HD3 . 11408 1 682 . 1 1 61 61 LYS HE2 H 1 2.974 0.030 . 1 . . . . 61 LYS HE2 . 11408 1 683 . 1 1 61 61 LYS HE3 H 1 2.974 0.030 . 1 . . . . 61 LYS HE3 . 11408 1 684 . 1 1 61 61 LYS HG2 H 1 1.491 0.030 . 1 . . . . 61 LYS HG2 . 11408 1 685 . 1 1 61 61 LYS HG3 H 1 1.491 0.030 . 1 . . . . 61 LYS HG3 . 11408 1 686 . 1 1 61 61 LYS C C 13 177.788 0.300 . 1 . . . . 61 LYS C . 11408 1 687 . 1 1 61 61 LYS CA C 13 58.608 0.300 . 1 . . . . 61 LYS CA . 11408 1 688 . 1 1 61 61 LYS CB C 13 32.291 0.300 . 1 . . . . 61 LYS CB . 11408 1 689 . 1 1 61 61 LYS CD C 13 29.146 0.300 . 1 . . . . 61 LYS CD . 11408 1 690 . 1 1 61 61 LYS CE C 13 41.901 0.300 . 1 . . . . 61 LYS CE . 11408 1 691 . 1 1 61 61 LYS CG C 13 24.842 0.300 . 1 . . . . 61 LYS CG . 11408 1 692 . 1 1 61 61 LYS N N 15 128.138 0.300 . 1 . . . . 61 LYS N . 11408 1 693 . 1 1 62 62 GLN H H 1 8.826 0.030 . 1 . . . . 62 GLN H . 11408 1 694 . 1 1 62 62 GLN HA H 1 4.331 0.030 . 1 . . . . 62 GLN HA . 11408 1 695 . 1 1 62 62 GLN HB2 H 1 2.310 0.030 . 2 . . . . 62 GLN HB2 . 11408 1 696 . 1 1 62 62 GLN HB3 H 1 2.232 0.030 . 2 . . . . 62 GLN HB3 . 11408 1 697 . 1 1 62 62 GLN HE21 H 1 7.693 0.030 . 2 . . . . 62 GLN HE21 . 11408 1 698 . 1 1 62 62 GLN HE22 H 1 6.914 0.030 . 2 . . . . 62 GLN HE22 . 11408 1 699 . 1 1 62 62 GLN HG2 H 1 2.493 0.030 . 2 . . . . 62 GLN HG2 . 11408 1 700 . 1 1 62 62 GLN HG3 H 1 2.407 0.030 . 2 . . . . 62 GLN HG3 . 11408 1 701 . 1 1 62 62 GLN C C 13 177.840 0.300 . 1 . . . . 62 GLN C . 11408 1 702 . 1 1 62 62 GLN CA C 13 58.030 0.300 . 1 . . . . 62 GLN CA . 11408 1 703 . 1 1 62 62 GLN CB C 13 29.371 0.300 . 1 . . . . 62 GLN CB . 11408 1 704 . 1 1 62 62 GLN CG C 13 34.529 0.300 . 1 . . . . 62 GLN CG . 11408 1 705 . 1 1 62 62 GLN N N 15 117.167 0.300 . 1 . . . . 62 GLN N . 11408 1 706 . 1 1 62 62 GLN NE2 N 15 112.348 0.300 . 1 . . . . 62 GLN NE2 . 11408 1 707 . 1 1 63 63 THR H H 1 7.871 0.030 . 1 . . . . 63 THR H . 11408 1 708 . 1 1 63 63 THR HA H 1 4.347 0.030 . 1 . . . . 63 THR HA . 11408 1 709 . 1 1 63 63 THR HB H 1 4.343 0.030 . 1 . . . . 63 THR HB . 11408 1 710 . 1 1 63 63 THR HG21 H 1 1.228 0.030 . 1 . . . . 63 THR HG2 . 11408 1 711 . 1 1 63 63 THR HG22 H 1 1.228 0.030 . 1 . . . . 63 THR HG2 . 11408 1 712 . 1 1 63 63 THR HG23 H 1 1.228 0.030 . 1 . . . . 63 THR HG2 . 11408 1 713 . 1 1 63 63 THR C C 13 175.609 0.300 . 1 . . . . 63 THR C . 11408 1 714 . 1 1 63 63 THR CA C 13 61.678 0.300 . 1 . . . . 63 THR CA . 11408 1 715 . 1 1 63 63 THR CB C 13 70.905 0.300 . 1 . . . . 63 THR CB . 11408 1 716 . 1 1 63 63 THR CG2 C 13 21.452 0.300 . 1 . . . . 63 THR CG2 . 11408 1 717 . 1 1 63 63 THR N N 15 107.066 0.300 . 1 . . . . 63 THR N . 11408 1 718 . 1 1 64 64 ASN H H 1 8.604 0.030 . 1 . . . . 64 ASN H . 11408 1 719 . 1 1 64 64 ASN HA H 1 4.279 0.030 . 1 . . . . 64 ASN HA . 11408 1 720 . 1 1 64 64 ASN HB2 H 1 3.121 0.030 . 2 . . . . 64 ASN HB2 . 11408 1 721 . 1 1 64 64 ASN HB3 H 1 2.830 0.030 . 2 . . . . 64 ASN HB3 . 11408 1 722 . 1 1 64 64 ASN HD21 H 1 7.433 0.030 . 2 . . . . 64 ASN HD21 . 11408 1 723 . 1 1 64 64 ASN HD22 H 1 6.739 0.030 . 2 . . . . 64 ASN HD22 . 11408 1 724 . 1 1 64 64 ASN C C 13 173.676 0.300 . 1 . . . . 64 ASN C . 11408 1 725 . 1 1 64 64 ASN CA C 13 55.018 0.300 . 1 . . . . 64 ASN CA . 11408 1 726 . 1 1 64 64 ASN CB C 13 38.077 0.300 . 1 . . . . 64 ASN CB . 11408 1 727 . 1 1 64 64 ASN N N 15 117.020 0.300 . 1 . . . . 64 ASN N . 11408 1 728 . 1 1 64 64 ASN ND2 N 15 112.004 0.300 . 1 . . . . 64 ASN ND2 . 11408 1 729 . 1 1 65 65 LEU H H 1 7.597 0.030 . 1 . . . . 65 LEU H . 11408 1 730 . 1 1 65 65 LEU HA H 1 4.695 0.030 . 1 . . . . 65 LEU HA . 11408 1 731 . 1 1 65 65 LEU HB2 H 1 1.745 0.030 . 2 . . . . 65 LEU HB2 . 11408 1 732 . 1 1 65 65 LEU HB3 H 1 1.450 0.030 . 2 . . . . 65 LEU HB3 . 11408 1 733 . 1 1 65 65 LEU HD11 H 1 0.926 0.030 . 1 . . . . 65 LEU HD1 . 11408 1 734 . 1 1 65 65 LEU HD12 H 1 0.926 0.030 . 1 . . . . 65 LEU HD1 . 11408 1 735 . 1 1 65 65 LEU HD13 H 1 0.926 0.030 . 1 . . . . 65 LEU HD1 . 11408 1 736 . 1 1 65 65 LEU HD21 H 1 0.903 0.030 . 1 . . . . 65 LEU HD2 . 11408 1 737 . 1 1 65 65 LEU HD22 H 1 0.903 0.030 . 1 . . . . 65 LEU HD2 . 11408 1 738 . 1 1 65 65 LEU HD23 H 1 0.903 0.030 . 1 . . . . 65 LEU HD2 . 11408 1 739 . 1 1 65 65 LEU HG H 1 1.612 0.030 . 1 . . . . 65 LEU HG . 11408 1 740 . 1 1 65 65 LEU C C 13 176.915 0.300 . 1 . . . . 65 LEU C . 11408 1 741 . 1 1 65 65 LEU CA C 13 53.420 0.300 . 1 . . . . 65 LEU CA . 11408 1 742 . 1 1 65 65 LEU CB C 13 44.843 0.300 . 1 . . . . 65 LEU CB . 11408 1 743 . 1 1 65 65 LEU CD1 C 13 25.232 0.300 . 2 . . . . 65 LEU CD1 . 11408 1 744 . 1 1 65 65 LEU CD2 C 13 22.903 0.300 . 2 . . . . 65 LEU CD2 . 11408 1 745 . 1 1 65 65 LEU CG C 13 26.246 0.300 . 1 . . . . 65 LEU CG . 11408 1 746 . 1 1 65 65 LEU N N 15 117.379 0.300 . 1 . . . . 65 LEU N . 11408 1 747 . 1 1 66 66 SER H H 1 8.667 0.030 . 1 . . . . 66 SER H . 11408 1 748 . 1 1 66 66 SER HA H 1 4.560 0.030 . 1 . . . . 66 SER HA . 11408 1 749 . 1 1 66 66 SER HB2 H 1 4.053 0.030 . 2 . . . . 66 SER HB2 . 11408 1 750 . 1 1 66 66 SER HB3 H 1 3.956 0.030 . 2 . . . . 66 SER HB3 . 11408 1 751 . 1 1 66 66 SER C C 13 177.106 0.300 . 1 . . . . 66 SER C . 11408 1 752 . 1 1 66 66 SER CA C 13 57.997 0.300 . 1 . . . . 66 SER CA . 11408 1 753 . 1 1 66 66 SER CB C 13 63.887 0.300 . 1 . . . . 66 SER CB . 11408 1 754 . 1 1 66 66 SER N N 15 114.666 0.300 . 1 . . . . 66 SER N . 11408 1 755 . 1 1 67 67 LYS H H 1 8.862 0.030 . 1 . . . . 67 LYS H . 11408 1 756 . 1 1 67 67 LYS HA H 1 4.640 0.030 . 1 . . . . 67 LYS HA . 11408 1 757 . 1 1 67 67 LYS HB2 H 1 2.358 0.030 . 2 . . . . 67 LYS HB2 . 11408 1 758 . 1 1 67 67 LYS HB3 H 1 1.426 0.030 . 2 . . . . 67 LYS HB3 . 11408 1 759 . 1 1 67 67 LYS HD2 H 1 2.168 0.030 . 2 . . . . 67 LYS HD2 . 11408 1 760 . 1 1 67 67 LYS HD3 H 1 2.020 0.030 . 2 . . . . 67 LYS HD3 . 11408 1 761 . 1 1 67 67 LYS HE2 H 1 3.482 0.030 . 2 . . . . 67 LYS HE2 . 11408 1 762 . 1 1 67 67 LYS HE3 H 1 3.422 0.030 . 2 . . . . 67 LYS HE3 . 11408 1 763 . 1 1 67 67 LYS HG2 H 1 1.914 0.030 . 2 . . . . 67 LYS HG2 . 11408 1 764 . 1 1 67 67 LYS HG3 H 1 1.660 0.030 . 2 . . . . 67 LYS HG3 . 11408 1 765 . 1 1 67 67 LYS C C 13 176.100 0.300 . 1 . . . . 67 LYS C . 11408 1 766 . 1 1 67 67 LYS CA C 13 56.224 0.300 . 1 . . . . 67 LYS CA . 11408 1 767 . 1 1 67 67 LYS CB C 13 31.747 0.300 . 1 . . . . 67 LYS CB . 11408 1 768 . 1 1 67 67 LYS CD C 13 28.742 0.300 . 1 . . . . 67 LYS CD . 11408 1 769 . 1 1 67 67 LYS CE C 13 42.106 0.300 . 1 . . . . 67 LYS CE . 11408 1 770 . 1 1 67 67 LYS CG C 13 26.419 0.300 . 1 . . . . 67 LYS CG . 11408 1 771 . 1 1 67 67 LYS N N 15 124.754 0.300 . 1 . . . . 67 LYS N . 11408 1 772 . 1 1 68 68 CYS H H 1 10.071 0.030 . 1 . . . . 68 CYS H . 11408 1 773 . 1 1 68 68 CYS HA H 1 3.277 0.030 . 1 . . . . 68 CYS HA . 11408 1 774 . 1 1 68 68 CYS HB2 H 1 3.310 0.030 . 2 . . . . 68 CYS HB2 . 11408 1 775 . 1 1 68 68 CYS HB3 H 1 3.214 0.030 . 2 . . . . 68 CYS HB3 . 11408 1 776 . 1 1 68 68 CYS C C 13 173.005 0.300 . 1 . . . . 68 CYS C . 11408 1 777 . 1 1 68 68 CYS CA C 13 61.248 0.300 . 1 . . . . 68 CYS CA . 11408 1 778 . 1 1 68 68 CYS CB C 13 24.230 0.300 . 1 . . . . 68 CYS CB . 11408 1 779 . 1 1 68 68 CYS N N 15 112.274 0.300 . 1 . . . . 68 CYS N . 11408 1 780 . 1 1 69 69 PHE H H 1 7.325 0.030 . 1 . . . . 69 PHE H . 11408 1 781 . 1 1 69 69 PHE HA H 1 5.124 0.030 . 1 . . . . 69 PHE HA . 11408 1 782 . 1 1 69 69 PHE HB2 H 1 2.960 0.030 . 2 . . . . 69 PHE HB2 . 11408 1 783 . 1 1 69 69 PHE HB3 H 1 2.751 0.030 . 2 . . . . 69 PHE HB3 . 11408 1 784 . 1 1 69 69 PHE HD1 H 1 6.851 0.030 . 1 . . . . 69 PHE HD1 . 11408 1 785 . 1 1 69 69 PHE HD2 H 1 6.851 0.030 . 1 . . . . 69 PHE HD2 . 11408 1 786 . 1 1 69 69 PHE HE1 H 1 6.890 0.030 . 1 . . . . 69 PHE HE1 . 11408 1 787 . 1 1 69 69 PHE HE2 H 1 6.890 0.030 . 1 . . . . 69 PHE HE2 . 11408 1 788 . 1 1 69 69 PHE HZ H 1 5.919 0.030 . 1 . . . . 69 PHE HZ . 11408 1 789 . 1 1 69 69 PHE C C 13 172.290 0.300 . 1 . . . . 69 PHE C . 11408 1 790 . 1 1 69 69 PHE CA C 13 55.045 0.300 . 1 . . . . 69 PHE CA . 11408 1 791 . 1 1 69 69 PHE CB C 13 42.357 0.300 . 1 . . . . 69 PHE CB . 11408 1 792 . 1 1 69 69 PHE CD1 C 13 133.204 0.300 . 1 . . . . 69 PHE CD1 . 11408 1 793 . 1 1 69 69 PHE CD2 C 13 133.204 0.300 . 1 . . . . 69 PHE CD2 . 11408 1 794 . 1 1 69 69 PHE CE1 C 13 130.751 0.300 . 1 . . . . 69 PHE CE1 . 11408 1 795 . 1 1 69 69 PHE CE2 C 13 130.751 0.300 . 1 . . . . 69 PHE CE2 . 11408 1 796 . 1 1 69 69 PHE CZ C 13 129.704 0.300 . 1 . . . . 69 PHE CZ . 11408 1 797 . 1 1 69 69 PHE N N 15 112.903 0.300 . 1 . . . . 69 PHE N . 11408 1 798 . 1 1 70 70 GLY H H 1 8.863 0.030 . 1 . . . . 70 GLY H . 11408 1 799 . 1 1 70 70 GLY HA2 H 1 4.315 0.030 . 2 . . . . 70 GLY HA2 . 11408 1 800 . 1 1 70 70 GLY HA3 H 1 3.836 0.030 . 2 . . . . 70 GLY HA3 . 11408 1 801 . 1 1 70 70 GLY C C 13 181.567 0.300 . 1 . . . . 70 GLY C . 11408 1 802 . 1 1 70 70 GLY CA C 13 46.125 0.300 . 1 . . . . 70 GLY CA . 11408 1 803 . 1 1 70 70 GLY N N 15 107.074 0.300 . 1 . . . . 70 GLY N . 11408 1 804 . 1 1 71 71 PHE H H 1 8.790 0.030 . 1 . . . . 71 PHE H . 11408 1 805 . 1 1 71 71 PHE HA H 1 5.442 0.030 . 1 . . . . 71 PHE HA . 11408 1 806 . 1 1 71 71 PHE HB2 H 1 2.269 0.030 . 1 . . . . 71 PHE HB2 . 11408 1 807 . 1 1 71 71 PHE HB3 H 1 2.269 0.030 . 1 . . . . 71 PHE HB3 . 11408 1 808 . 1 1 71 71 PHE HD1 H 1 6.842 0.030 . 1 . . . . 71 PHE HD1 . 11408 1 809 . 1 1 71 71 PHE HD2 H 1 6.842 0.030 . 1 . . . . 71 PHE HD2 . 11408 1 810 . 1 1 71 71 PHE HE1 H 1 7.398 0.030 . 1 . . . . 71 PHE HE1 . 11408 1 811 . 1 1 71 71 PHE HE2 H 1 7.398 0.030 . 1 . . . . 71 PHE HE2 . 11408 1 812 . 1 1 71 71 PHE HZ H 1 7.493 0.030 . 1 . . . . 71 PHE HZ . 11408 1 813 . 1 1 71 71 PHE C C 13 174.773 0.300 . 1 . . . . 71 PHE C . 11408 1 814 . 1 1 71 71 PHE CA C 13 56.077 0.300 . 1 . . . . 71 PHE CA . 11408 1 815 . 1 1 71 71 PHE CB C 13 43.053 0.300 . 1 . . . . 71 PHE CB . 11408 1 816 . 1 1 71 71 PHE CD1 C 13 131.110 0.300 . 1 . . . . 71 PHE CD1 . 11408 1 817 . 1 1 71 71 PHE CD2 C 13 131.110 0.300 . 1 . . . . 71 PHE CD2 . 11408 1 818 . 1 1 71 71 PHE CE1 C 13 131.095 0.300 . 1 . . . . 71 PHE CE1 . 11408 1 819 . 1 1 71 71 PHE CE2 C 13 131.095 0.300 . 1 . . . . 71 PHE CE2 . 11408 1 820 . 1 1 71 71 PHE CZ C 13 128.369 0.300 . 1 . . . . 71 PHE CZ . 11408 1 821 . 1 1 71 71 PHE N N 15 115.863 0.300 . 1 . . . . 71 PHE N . 11408 1 822 . 1 1 72 72 VAL H H 1 7.725 0.030 . 1 . . . . 72 VAL H . 11408 1 823 . 1 1 72 72 VAL HA H 1 4.449 0.030 . 1 . . . . 72 VAL HA . 11408 1 824 . 1 1 72 72 VAL HB H 1 1.152 0.030 . 1 . . . . 72 VAL HB . 11408 1 825 . 1 1 72 72 VAL HG11 H 1 0.380 0.030 . 1 . . . . 72 VAL HG1 . 11408 1 826 . 1 1 72 72 VAL HG12 H 1 0.380 0.030 . 1 . . . . 72 VAL HG1 . 11408 1 827 . 1 1 72 72 VAL HG13 H 1 0.380 0.030 . 1 . . . . 72 VAL HG1 . 11408 1 828 . 1 1 72 72 VAL HG21 H 1 0.297 0.030 . 1 . . . . 72 VAL HG2 . 11408 1 829 . 1 1 72 72 VAL HG22 H 1 0.297 0.030 . 1 . . . . 72 VAL HG2 . 11408 1 830 . 1 1 72 72 VAL HG23 H 1 0.297 0.030 . 1 . . . . 72 VAL HG2 . 11408 1 831 . 1 1 72 72 VAL C C 13 173.781 0.300 . 1 . . . . 72 VAL C . 11408 1 832 . 1 1 72 72 VAL CA C 13 61.115 0.300 . 1 . . . . 72 VAL CA . 11408 1 833 . 1 1 72 72 VAL CB C 13 36.600 0.300 . 1 . . . . 72 VAL CB . 11408 1 834 . 1 1 72 72 VAL CG1 C 13 21.411 0.300 . 2 . . . . 72 VAL CG1 . 11408 1 835 . 1 1 72 72 VAL CG2 C 13 22.209 0.300 . 2 . . . . 72 VAL CG2 . 11408 1 836 . 1 1 72 72 VAL N N 15 118.631 0.300 . 1 . . . . 72 VAL N . 11408 1 837 . 1 1 73 73 SER H H 1 8.945 0.030 . 1 . . . . 73 SER H . 11408 1 838 . 1 1 73 73 SER HA H 1 5.444 0.030 . 1 . . . . 73 SER HA . 11408 1 839 . 1 1 73 73 SER HB2 H 1 4.195 0.030 . 2 . . . . 73 SER HB2 . 11408 1 840 . 1 1 73 73 SER HB3 H 1 3.874 0.030 . 2 . . . . 73 SER HB3 . 11408 1 841 . 1 1 73 73 SER C C 13 173.745 0.300 . 1 . . . . 73 SER C . 11408 1 842 . 1 1 73 73 SER CA C 13 58.063 0.300 . 1 . . . . 73 SER CA . 11408 1 843 . 1 1 73 73 SER CB C 13 64.868 0.300 . 1 . . . . 73 SER CB . 11408 1 844 . 1 1 73 73 SER N N 15 123.893 0.300 . 1 . . . . 73 SER N . 11408 1 845 . 1 1 74 74 TYR H H 1 8.774 0.030 . 1 . . . . 74 TYR H . 11408 1 846 . 1 1 74 74 TYR HA H 1 5.445 0.030 . 1 . . . . 74 TYR HA . 11408 1 847 . 1 1 74 74 TYR HB2 H 1 3.494 0.030 . 2 . . . . 74 TYR HB2 . 11408 1 848 . 1 1 74 74 TYR HB3 H 1 3.005 0.030 . 2 . . . . 74 TYR HB3 . 11408 1 849 . 1 1 74 74 TYR HD1 H 1 6.913 0.030 . 1 . . . . 74 TYR HD1 . 11408 1 850 . 1 1 74 74 TYR HD2 H 1 6.913 0.030 . 1 . . . . 74 TYR HD2 . 11408 1 851 . 1 1 74 74 TYR HE1 H 1 6.612 0.030 . 1 . . . . 74 TYR HE1 . 11408 1 852 . 1 1 74 74 TYR HE2 H 1 6.612 0.030 . 1 . . . . 74 TYR HE2 . 11408 1 853 . 1 1 74 74 TYR C C 13 173.849 0.300 . 1 . . . . 74 TYR C . 11408 1 854 . 1 1 74 74 TYR CA C 13 57.615 0.300 . 1 . . . . 74 TYR CA . 11408 1 855 . 1 1 74 74 TYR CB C 13 42.504 0.300 . 1 . . . . 74 TYR CB . 11408 1 856 . 1 1 74 74 TYR CD1 C 13 132.235 0.300 . 1 . . . . 74 TYR CD1 . 11408 1 857 . 1 1 74 74 TYR CD2 C 13 132.235 0.300 . 1 . . . . 74 TYR CD2 . 11408 1 858 . 1 1 74 74 TYR CE1 C 13 118.360 0.300 . 1 . . . . 74 TYR CE1 . 11408 1 859 . 1 1 74 74 TYR CE2 C 13 118.360 0.300 . 1 . . . . 74 TYR CE2 . 11408 1 860 . 1 1 74 74 TYR N N 15 123.141 0.300 . 1 . . . . 74 TYR N . 11408 1 861 . 1 1 75 75 ASP H H 1 7.973 0.030 . 1 . . . . 75 ASP H . 11408 1 862 . 1 1 75 75 ASP HA H 1 4.582 0.030 . 1 . . . . 75 ASP HA . 11408 1 863 . 1 1 75 75 ASP HB2 H 1 3.209 0.030 . 2 . . . . 75 ASP HB2 . 11408 1 864 . 1 1 75 75 ASP HB3 H 1 2.484 0.030 . 2 . . . . 75 ASP HB3 . 11408 1 865 . 1 1 75 75 ASP C C 13 176.802 0.300 . 1 . . . . 75 ASP C . 11408 1 866 . 1 1 75 75 ASP CA C 13 53.211 0.300 . 1 . . . . 75 ASP CA . 11408 1 867 . 1 1 75 75 ASP CB C 13 40.725 0.300 . 1 . . . . 75 ASP CB . 11408 1 868 . 1 1 75 75 ASP N N 15 113.126 0.300 . 1 . . . . 75 ASP N . 11408 1 869 . 1 1 76 76 ASN H H 1 7.290 0.030 . 1 . . . . 76 ASN H . 11408 1 870 . 1 1 76 76 ASN HA H 1 5.139 0.030 . 1 . . . . 76 ASN HA . 11408 1 871 . 1 1 76 76 ASN HB2 H 1 2.977 0.030 . 2 . . . . 76 ASN HB2 . 11408 1 872 . 1 1 76 76 ASN HB3 H 1 2.923 0.030 . 2 . . . . 76 ASN HB3 . 11408 1 873 . 1 1 76 76 ASN HD21 H 1 8.064 0.030 . 2 . . . . 76 ASN HD21 . 11408 1 874 . 1 1 76 76 ASN HD22 H 1 7.298 0.030 . 2 . . . . 76 ASN HD22 . 11408 1 875 . 1 1 76 76 ASN C C 13 173.388 0.300 . 1 . . . . 76 ASN C . 11408 1 876 . 1 1 76 76 ASN CA C 13 51.287 0.300 . 1 . . . . 76 ASN CA . 11408 1 877 . 1 1 76 76 ASN CB C 13 41.553 0.300 . 1 . . . . 76 ASN CB . 11408 1 878 . 1 1 76 76 ASN N N 15 114.090 0.300 . 1 . . . . 76 ASN N . 11408 1 879 . 1 1 76 76 ASN ND2 N 15 114.801 0.300 . 1 . . . . 76 ASN ND2 . 11408 1 880 . 1 1 77 77 PRO HA H 1 4.289 0.030 . 1 . . . . 77 PRO HA . 11408 1 881 . 1 1 77 77 PRO HB2 H 1 2.299 0.030 . 2 . . . . 77 PRO HB2 . 11408 1 882 . 1 1 77 77 PRO HB3 H 1 2.148 0.030 . 2 . . . . 77 PRO HB3 . 11408 1 883 . 1 1 77 77 PRO HD2 H 1 4.093 0.030 . 2 . . . . 77 PRO HD2 . 11408 1 884 . 1 1 77 77 PRO HD3 H 1 3.632 0.030 . 2 . . . . 77 PRO HD3 . 11408 1 885 . 1 1 77 77 PRO HG2 H 1 2.205 0.030 . 2 . . . . 77 PRO HG2 . 11408 1 886 . 1 1 77 77 PRO HG3 H 1 2.055 0.030 . 2 . . . . 77 PRO HG3 . 11408 1 887 . 1 1 77 77 PRO C C 13 177.622 0.300 . 1 . . . . 77 PRO C . 11408 1 888 . 1 1 77 77 PRO CA C 13 64.742 0.300 . 1 . . . . 77 PRO CA . 11408 1 889 . 1 1 77 77 PRO CB C 13 32.864 0.300 . 1 . . . . 77 PRO CB . 11408 1 890 . 1 1 77 77 PRO CD C 13 51.701 0.300 . 1 . . . . 77 PRO CD . 11408 1 891 . 1 1 77 77 PRO CG C 13 27.489 0.300 . 1 . . . . 77 PRO CG . 11408 1 892 . 1 1 78 78 VAL H H 1 8.157 0.030 . 1 . . . . 78 VAL H . 11408 1 893 . 1 1 78 78 VAL HA H 1 3.727 0.030 . 1 . . . . 78 VAL HA . 11408 1 894 . 1 1 78 78 VAL HB H 1 2.128 0.030 . 1 . . . . 78 VAL HB . 11408 1 895 . 1 1 78 78 VAL HG11 H 1 1.058 0.030 . 1 . . . . 78 VAL HG1 . 11408 1 896 . 1 1 78 78 VAL HG12 H 1 1.058 0.030 . 1 . . . . 78 VAL HG1 . 11408 1 897 . 1 1 78 78 VAL HG13 H 1 1.058 0.030 . 1 . . . . 78 VAL HG1 . 11408 1 898 . 1 1 78 78 VAL HG21 H 1 0.976 0.030 . 1 . . . . 78 VAL HG2 . 11408 1 899 . 1 1 78 78 VAL HG22 H 1 0.976 0.030 . 1 . . . . 78 VAL HG2 . 11408 1 900 . 1 1 78 78 VAL HG23 H 1 0.976 0.030 . 1 . . . . 78 VAL HG2 . 11408 1 901 . 1 1 78 78 VAL C C 13 179.651 0.300 . 1 . . . . 78 VAL C . 11408 1 902 . 1 1 78 78 VAL CA C 13 66.490 0.300 . 1 . . . . 78 VAL CA . 11408 1 903 . 1 1 78 78 VAL CB C 13 31.408 0.300 . 1 . . . . 78 VAL CB . 11408 1 904 . 1 1 78 78 VAL CG1 C 13 22.395 0.300 . 2 . . . . 78 VAL CG1 . 11408 1 905 . 1 1 78 78 VAL CG2 C 13 21.114 0.300 . 2 . . . . 78 VAL CG2 . 11408 1 906 . 1 1 78 78 VAL N N 15 121.032 0.300 . 1 . . . . 78 VAL N . 11408 1 907 . 1 1 79 79 SER H H 1 7.918 0.030 . 1 . . . . 79 SER H . 11408 1 908 . 1 1 79 79 SER HA H 1 4.056 0.030 . 1 . . . . 79 SER HA . 11408 1 909 . 1 1 79 79 SER HB2 H 1 3.310 0.030 . 2 . . . . 79 SER HB2 . 11408 1 910 . 1 1 79 79 SER HB3 H 1 3.021 0.030 . 2 . . . . 79 SER HB3 . 11408 1 911 . 1 1 79 79 SER C C 13 174.034 0.300 . 1 . . . . 79 SER C . 11408 1 912 . 1 1 79 79 SER CA C 13 61.492 0.300 . 1 . . . . 79 SER CA . 11408 1 913 . 1 1 79 79 SER CB C 13 62.944 0.300 . 1 . . . . 79 SER CB . 11408 1 914 . 1 1 79 79 SER N N 15 118.067 0.300 . 1 . . . . 79 SER N . 11408 1 915 . 1 1 80 80 ALA H H 1 6.446 0.030 . 1 . . . . 80 ALA H . 11408 1 916 . 1 1 80 80 ALA HA H 1 3.844 0.030 . 1 . . . . 80 ALA HA . 11408 1 917 . 1 1 80 80 ALA HB1 H 1 1.611 0.030 . 1 . . . . 80 ALA HB . 11408 1 918 . 1 1 80 80 ALA HB2 H 1 1.611 0.030 . 1 . . . . 80 ALA HB . 11408 1 919 . 1 1 80 80 ALA HB3 H 1 1.611 0.030 . 1 . . . . 80 ALA HB . 11408 1 920 . 1 1 80 80 ALA C C 13 178.605 0.300 . 1 . . . . 80 ALA C . 11408 1 921 . 1 1 80 80 ALA CA C 13 55.053 0.300 . 1 . . . . 80 ALA CA . 11408 1 922 . 1 1 80 80 ALA CB C 13 18.239 0.300 . 1 . . . . 80 ALA CB . 11408 1 923 . 1 1 80 80 ALA N N 15 120.191 0.300 . 1 . . . . 80 ALA N . 11408 1 924 . 1 1 81 81 GLN H H 1 7.738 0.030 . 1 . . . . 81 GLN H . 11408 1 925 . 1 1 81 81 GLN HA H 1 3.910 0.030 . 1 . . . . 81 GLN HA . 11408 1 926 . 1 1 81 81 GLN HB2 H 1 2.193 0.030 . 2 . . . . 81 GLN HB2 . 11408 1 927 . 1 1 81 81 GLN HB3 H 1 2.157 0.030 . 2 . . . . 81 GLN HB3 . 11408 1 928 . 1 1 81 81 GLN HE21 H 1 7.929 0.030 . 2 . . . . 81 GLN HE21 . 11408 1 929 . 1 1 81 81 GLN HE22 H 1 6.917 0.030 . 2 . . . . 81 GLN HE22 . 11408 1 930 . 1 1 81 81 GLN HG2 H 1 2.533 0.030 . 1 . . . . 81 GLN HG2 . 11408 1 931 . 1 1 81 81 GLN HG3 H 1 2.533 0.030 . 1 . . . . 81 GLN HG3 . 11408 1 932 . 1 1 81 81 GLN C C 13 178.464 0.300 . 1 . . . . 81 GLN C . 11408 1 933 . 1 1 81 81 GLN CA C 13 58.615 0.300 . 1 . . . . 81 GLN CA . 11408 1 934 . 1 1 81 81 GLN CB C 13 27.786 0.300 . 1 . . . . 81 GLN CB . 11408 1 935 . 1 1 81 81 GLN CG C 13 33.475 0.300 . 1 . . . . 81 GLN CG . 11408 1 936 . 1 1 81 81 GLN N N 15 115.645 0.300 . 1 . . . . 81 GLN N . 11408 1 937 . 1 1 81 81 GLN NE2 N 15 112.472 0.300 . 1 . . . . 81 GLN NE2 . 11408 1 938 . 1 1 82 82 ALA H H 1 7.852 0.030 . 1 . . . . 82 ALA H . 11408 1 939 . 1 1 82 82 ALA HA H 1 4.088 0.030 . 1 . . . . 82 ALA HA . 11408 1 940 . 1 1 82 82 ALA HB1 H 1 1.632 0.030 . 1 . . . . 82 ALA HB . 11408 1 941 . 1 1 82 82 ALA HB2 H 1 1.632 0.030 . 1 . . . . 82 ALA HB . 11408 1 942 . 1 1 82 82 ALA HB3 H 1 1.632 0.030 . 1 . . . . 82 ALA HB . 11408 1 943 . 1 1 82 82 ALA C C 13 180.002 0.300 . 1 . . . . 82 ALA C . 11408 1 944 . 1 1 82 82 ALA CA C 13 55.037 0.300 . 1 . . . . 82 ALA CA . 11408 1 945 . 1 1 82 82 ALA CB C 13 17.974 0.300 . 1 . . . . 82 ALA CB . 11408 1 946 . 1 1 82 82 ALA N N 15 123.245 0.300 . 1 . . . . 82 ALA N . 11408 1 947 . 1 1 83 83 ALA H H 1 7.917 0.030 . 1 . . . . 83 ALA H . 11408 1 948 . 1 1 83 83 ALA HA H 1 2.437 0.030 . 1 . . . . 83 ALA HA . 11408 1 949 . 1 1 83 83 ALA HB1 H 1 1.492 0.030 . 1 . . . . 83 ALA HB . 11408 1 950 . 1 1 83 83 ALA HB2 H 1 1.492 0.030 . 1 . . . . 83 ALA HB . 11408 1 951 . 1 1 83 83 ALA HB3 H 1 1.492 0.030 . 1 . . . . 83 ALA HB . 11408 1 952 . 1 1 83 83 ALA C C 13 179.844 0.300 . 1 . . . . 83 ALA C . 11408 1 953 . 1 1 83 83 ALA CA C 13 54.678 0.300 . 1 . . . . 83 ALA CA . 11408 1 954 . 1 1 83 83 ALA CB C 13 19.302 0.300 . 1 . . . . 83 ALA CB . 11408 1 955 . 1 1 83 83 ALA N N 15 121.656 0.300 . 1 . . . . 83 ALA N . 11408 1 956 . 1 1 84 84 ILE H H 1 8.069 0.030 . 1 . . . . 84 ILE H . 11408 1 957 . 1 1 84 84 ILE HA H 1 3.245 0.030 . 1 . . . . 84 ILE HA . 11408 1 958 . 1 1 84 84 ILE HB H 1 1.823 0.030 . 1 . . . . 84 ILE HB . 11408 1 959 . 1 1 84 84 ILE HD11 H 1 0.796 0.030 . 1 . . . . 84 ILE HD1 . 11408 1 960 . 1 1 84 84 ILE HD12 H 1 0.796 0.030 . 1 . . . . 84 ILE HD1 . 11408 1 961 . 1 1 84 84 ILE HD13 H 1 0.796 0.030 . 1 . . . . 84 ILE HD1 . 11408 1 962 . 1 1 84 84 ILE HG12 H 1 1.836 0.030 . 2 . . . . 84 ILE HG12 . 11408 1 963 . 1 1 84 84 ILE HG13 H 1 0.598 0.030 . 2 . . . . 84 ILE HG13 . 11408 1 964 . 1 1 84 84 ILE HG21 H 1 0.944 0.030 . 1 . . . . 84 ILE HG2 . 11408 1 965 . 1 1 84 84 ILE HG22 H 1 0.944 0.030 . 1 . . . . 84 ILE HG2 . 11408 1 966 . 1 1 84 84 ILE HG23 H 1 0.944 0.030 . 1 . . . . 84 ILE HG2 . 11408 1 967 . 1 1 84 84 ILE C C 13 177.947 0.300 . 1 . . . . 84 ILE C . 11408 1 968 . 1 1 84 84 ILE CA C 13 66.553 0.300 . 1 . . . . 84 ILE CA . 11408 1 969 . 1 1 84 84 ILE CB C 13 38.787 0.300 . 1 . . . . 84 ILE CB . 11408 1 970 . 1 1 84 84 ILE CD1 C 13 13.974 0.300 . 1 . . . . 84 ILE CD1 . 11408 1 971 . 1 1 84 84 ILE CG1 C 13 30.443 0.300 . 1 . . . . 84 ILE CG1 . 11408 1 972 . 1 1 84 84 ILE CG2 C 13 17.458 0.300 . 1 . . . . 84 ILE CG2 . 11408 1 973 . 1 1 84 84 ILE N N 15 118.964 0.300 . 1 . . . . 84 ILE N . 11408 1 974 . 1 1 85 85 GLN H H 1 7.836 0.030 . 1 . . . . 85 GLN H . 11408 1 975 . 1 1 85 85 GLN HA H 1 3.980 0.030 . 1 . . . . 85 GLN HA . 11408 1 976 . 1 1 85 85 GLN HB2 H 1 2.149 0.030 . 1 . . . . 85 GLN HB2 . 11408 1 977 . 1 1 85 85 GLN HB3 H 1 2.149 0.030 . 1 . . . . 85 GLN HB3 . 11408 1 978 . 1 1 85 85 GLN HE21 H 1 7.508 0.030 . 2 . . . . 85 GLN HE21 . 11408 1 979 . 1 1 85 85 GLN HE22 H 1 6.887 0.030 . 2 . . . . 85 GLN HE22 . 11408 1 980 . 1 1 85 85 GLN HG2 H 1 2.487 0.030 . 1 . . . . 85 GLN HG2 . 11408 1 981 . 1 1 85 85 GLN HG3 H 1 2.487 0.030 . 1 . . . . 85 GLN HG3 . 11408 1 982 . 1 1 85 85 GLN C C 13 178.615 0.300 . 1 . . . . 85 GLN C . 11408 1 983 . 1 1 85 85 GLN CA C 13 58.710 0.300 . 1 . . . . 85 GLN CA . 11408 1 984 . 1 1 85 85 GLN CB C 13 28.375 0.300 . 1 . . . . 85 GLN CB . 11408 1 985 . 1 1 85 85 GLN CG C 13 33.850 0.300 . 1 . . . . 85 GLN CG . 11408 1 986 . 1 1 85 85 GLN N N 15 116.270 0.300 . 1 . . . . 85 GLN N . 11408 1 987 . 1 1 85 85 GLN NE2 N 15 112.004 0.300 . 1 . . . . 85 GLN NE2 . 11408 1 988 . 1 1 86 86 SER H H 1 7.527 0.030 . 1 . . . . 86 SER H . 11408 1 989 . 1 1 86 86 SER HA H 1 4.457 0.030 . 1 . . . . 86 SER HA . 11408 1 990 . 1 1 86 86 SER HB2 H 1 3.679 0.030 . 2 . . . . 86 SER HB2 . 11408 1 991 . 1 1 86 86 SER HB3 H 1 3.463 0.030 . 2 . . . . 86 SER HB3 . 11408 1 992 . 1 1 86 86 SER C C 13 175.535 0.300 . 1 . . . . 86 SER C . 11408 1 993 . 1 1 86 86 SER CA C 13 61.569 0.300 . 1 . . . . 86 SER CA . 11408 1 994 . 1 1 86 86 SER CB C 13 64.947 0.300 . 1 . . . . 86 SER CB . 11408 1 995 . 1 1 86 86 SER N N 15 110.699 0.300 . 1 . . . . 86 SER N . 11408 1 996 . 1 1 87 87 MET H H 1 8.368 0.030 . 1 . . . . 87 MET H . 11408 1 997 . 1 1 87 87 MET HA H 1 4.926 0.030 . 1 . . . . 87 MET HA . 11408 1 998 . 1 1 87 87 MET HB2 H 1 2.045 0.030 . 2 . . . . 87 MET HB2 . 11408 1 999 . 1 1 87 87 MET HB3 H 1 1.825 0.030 . 2 . . . . 87 MET HB3 . 11408 1 1000 . 1 1 87 87 MET HE1 H 1 1.063 0.030 . 1 . . . . 87 MET HE . 11408 1 1001 . 1 1 87 87 MET HE2 H 1 1.063 0.030 . 1 . . . . 87 MET HE . 11408 1 1002 . 1 1 87 87 MET HE3 H 1 1.063 0.030 . 1 . . . . 87 MET HE . 11408 1 1003 . 1 1 87 87 MET HG2 H 1 1.915 0.030 . 2 . . . . 87 MET HG2 . 11408 1 1004 . 1 1 87 87 MET HG3 H 1 1.830 0.030 . 2 . . . . 87 MET HG3 . 11408 1 1005 . 1 1 87 87 MET C C 13 177.799 0.300 . 1 . . . . 87 MET C . 11408 1 1006 . 1 1 87 87 MET CA C 13 53.803 0.300 . 1 . . . . 87 MET CA . 11408 1 1007 . 1 1 87 87 MET CB C 13 31.703 0.300 . 1 . . . . 87 MET CB . 11408 1 1008 . 1 1 87 87 MET CE C 13 15.798 0.300 . 1 . . . . 87 MET CE . 11408 1 1009 . 1 1 87 87 MET CG C 13 32.673 0.300 . 1 . . . . 87 MET CG . 11408 1 1010 . 1 1 87 87 MET N N 15 114.508 0.300 . 1 . . . . 87 MET N . 11408 1 1011 . 1 1 88 88 ASN H H 1 8.338 0.030 . 1 . . . . 88 ASN H . 11408 1 1012 . 1 1 88 88 ASN HA H 1 4.486 0.030 . 1 . . . . 88 ASN HA . 11408 1 1013 . 1 1 88 88 ASN HB2 H 1 3.081 0.030 . 1 . . . . 88 ASN HB2 . 11408 1 1014 . 1 1 88 88 ASN HB3 H 1 3.081 0.030 . 1 . . . . 88 ASN HB3 . 11408 1 1015 . 1 1 88 88 ASN HD21 H 1 7.864 0.030 . 2 . . . . 88 ASN HD21 . 11408 1 1016 . 1 1 88 88 ASN HD22 H 1 7.029 0.030 . 2 . . . . 88 ASN HD22 . 11408 1 1017 . 1 1 88 88 ASN C C 13 176.629 0.300 . 1 . . . . 88 ASN C . 11408 1 1018 . 1 1 88 88 ASN CA C 13 56.725 0.300 . 1 . . . . 88 ASN CA . 11408 1 1019 . 1 1 88 88 ASN CB C 13 38.709 0.300 . 1 . . . . 88 ASN CB . 11408 1 1020 . 1 1 88 88 ASN N N 15 118.742 0.300 . 1 . . . . 88 ASN N . 11408 1 1021 . 1 1 88 88 ASN ND2 N 15 114.800 0.300 . 1 . . . . 88 ASN ND2 . 11408 1 1022 . 1 1 89 89 GLY H H 1 9.149 0.030 . 1 . . . . 89 GLY H . 11408 1 1023 . 1 1 89 89 GLY HA2 H 1 4.386 0.030 . 2 . . . . 89 GLY HA2 . 11408 1 1024 . 1 1 89 89 GLY HA3 H 1 3.636 0.030 . 2 . . . . 89 GLY HA3 . 11408 1 1025 . 1 1 89 89 GLY C C 13 173.118 0.300 . 1 . . . . 89 GLY C . 11408 1 1026 . 1 1 89 89 GLY CA C 13 45.644 0.300 . 1 . . . . 89 GLY CA . 11408 1 1027 . 1 1 89 89 GLY N N 15 118.404 0.300 . 1 . . . . 89 GLY N . 11408 1 1028 . 1 1 90 90 PHE H H 1 7.978 0.030 . 1 . . . . 90 PHE H . 11408 1 1029 . 1 1 90 90 PHE HA H 1 4.228 0.030 . 1 . . . . 90 PHE HA . 11408 1 1030 . 1 1 90 90 PHE HB2 H 1 3.355 0.030 . 2 . . . . 90 PHE HB2 . 11408 1 1031 . 1 1 90 90 PHE HB3 H 1 2.951 0.030 . 2 . . . . 90 PHE HB3 . 11408 1 1032 . 1 1 90 90 PHE HD1 H 1 7.097 0.030 . 1 . . . . 90 PHE HD1 . 11408 1 1033 . 1 1 90 90 PHE HD2 H 1 7.097 0.030 . 1 . . . . 90 PHE HD2 . 11408 1 1034 . 1 1 90 90 PHE HE1 H 1 7.300 0.030 . 1 . . . . 90 PHE HE1 . 11408 1 1035 . 1 1 90 90 PHE HE2 H 1 7.300 0.030 . 1 . . . . 90 PHE HE2 . 11408 1 1036 . 1 1 90 90 PHE HZ H 1 7.309 0.030 . 1 . . . . 90 PHE HZ . 11408 1 1037 . 1 1 90 90 PHE C C 13 174.745 0.300 . 1 . . . . 90 PHE C . 11408 1 1038 . 1 1 90 90 PHE CA C 13 59.365 0.300 . 1 . . . . 90 PHE CA . 11408 1 1039 . 1 1 90 90 PHE CB C 13 41.053 0.300 . 1 . . . . 90 PHE CB . 11408 1 1040 . 1 1 90 90 PHE CD1 C 13 132.016 0.300 . 1 . . . . 90 PHE CD1 . 11408 1 1041 . 1 1 90 90 PHE CD2 C 13 132.016 0.300 . 1 . . . . 90 PHE CD2 . 11408 1 1042 . 1 1 90 90 PHE CE1 C 13 131.226 0.300 . 1 . . . . 90 PHE CE1 . 11408 1 1043 . 1 1 90 90 PHE CE2 C 13 131.226 0.300 . 1 . . . . 90 PHE CE2 . 11408 1 1044 . 1 1 90 90 PHE CZ C 13 129.706 0.300 . 1 . . . . 90 PHE CZ . 11408 1 1045 . 1 1 90 90 PHE N N 15 123.376 0.300 . 1 . . . . 90 PHE N . 11408 1 1046 . 1 1 91 91 GLN H H 1 7.989 0.030 . 1 . . . . 91 GLN H . 11408 1 1047 . 1 1 91 91 GLN HA H 1 4.619 0.030 . 1 . . . . 91 GLN HA . 11408 1 1048 . 1 1 91 91 GLN HB2 H 1 1.806 0.030 . 2 . . . . 91 GLN HB2 . 11408 1 1049 . 1 1 91 91 GLN HB3 H 1 1.700 0.030 . 2 . . . . 91 GLN HB3 . 11408 1 1050 . 1 1 91 91 GLN HE21 H 1 7.398 0.030 . 2 . . . . 91 GLN HE21 . 11408 1 1051 . 1 1 91 91 GLN HE22 H 1 6.664 0.030 . 2 . . . . 91 GLN HE22 . 11408 1 1052 . 1 1 91 91 GLN HG2 H 1 2.081 0.030 . 1 . . . . 91 GLN HG2 . 11408 1 1053 . 1 1 91 91 GLN HG3 H 1 2.081 0.030 . 1 . . . . 91 GLN HG3 . 11408 1 1054 . 1 1 91 91 GLN C C 13 174.269 0.300 . 1 . . . . 91 GLN C . 11408 1 1055 . 1 1 91 91 GLN CA C 13 55.779 0.300 . 1 . . . . 91 GLN CA . 11408 1 1056 . 1 1 91 91 GLN CB C 13 29.068 0.300 . 1 . . . . 91 GLN CB . 11408 1 1057 . 1 1 91 91 GLN CG C 13 33.561 0.300 . 1 . . . . 91 GLN CG . 11408 1 1058 . 1 1 91 91 GLN N N 15 128.462 0.300 . 1 . . . . 91 GLN N . 11408 1 1059 . 1 1 91 91 GLN NE2 N 15 110.693 0.300 . 1 . . . . 91 GLN NE2 . 11408 1 1060 . 1 1 92 92 ILE H H 1 8.502 0.030 . 1 . . . . 92 ILE H . 11408 1 1061 . 1 1 92 92 ILE HA H 1 4.207 0.030 . 1 . . . . 92 ILE HA . 11408 1 1062 . 1 1 92 92 ILE HB H 1 1.697 0.030 . 1 . . . . 92 ILE HB . 11408 1 1063 . 1 1 92 92 ILE HD11 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 11408 1 1064 . 1 1 92 92 ILE HD12 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 11408 1 1065 . 1 1 92 92 ILE HD13 H 1 0.901 0.030 . 1 . . . . 92 ILE HD1 . 11408 1 1066 . 1 1 92 92 ILE HG12 H 1 1.538 0.030 . 2 . . . . 92 ILE HG12 . 11408 1 1067 . 1 1 92 92 ILE HG13 H 1 1.069 0.030 . 2 . . . . 92 ILE HG13 . 11408 1 1068 . 1 1 92 92 ILE HG21 H 1 0.851 0.030 . 1 . . . . 92 ILE HG2 . 11408 1 1069 . 1 1 92 92 ILE HG22 H 1 0.851 0.030 . 1 . . . . 92 ILE HG2 . 11408 1 1070 . 1 1 92 92 ILE HG23 H 1 0.851 0.030 . 1 . . . . 92 ILE HG2 . 11408 1 1071 . 1 1 92 92 ILE C C 13 175.576 0.300 . 1 . . . . 92 ILE C . 11408 1 1072 . 1 1 92 92 ILE CA C 13 59.912 0.300 . 1 . . . . 92 ILE CA . 11408 1 1073 . 1 1 92 92 ILE CB C 13 39.741 0.300 . 1 . . . . 92 ILE CB . 11408 1 1074 . 1 1 92 92 ILE CD1 C 13 14.893 0.300 . 1 . . . . 92 ILE CD1 . 11408 1 1075 . 1 1 92 92 ILE CG1 C 13 27.794 0.300 . 1 . . . . 92 ILE CG1 . 11408 1 1076 . 1 1 92 92 ILE CG2 C 13 16.848 0.300 . 1 . . . . 92 ILE CG2 . 11408 1 1077 . 1 1 92 92 ILE N N 15 126.402 0.300 . 1 . . . . 92 ILE N . 11408 1 1078 . 1 1 93 93 GLY H H 1 8.948 0.030 . 1 . . . . 93 GLY H . 11408 1 1079 . 1 1 93 93 GLY HA2 H 1 3.898 0.030 . 2 . . . . 93 GLY HA2 . 11408 1 1080 . 1 1 93 93 GLY HA3 H 1 3.651 0.030 . 2 . . . . 93 GLY HA3 . 11408 1 1081 . 1 1 93 93 GLY CA C 13 46.990 0.300 . 1 . . . . 93 GLY CA . 11408 1 1082 . 1 1 93 93 GLY N N 15 117.789 0.300 . 1 . . . . 93 GLY N . 11408 1 1083 . 1 1 94 94 MET H H 1 8.938 0.030 . 1 . . . . 94 MET H . 11408 1 1084 . 1 1 94 94 MET HA H 1 4.422 0.030 . 1 . . . . 94 MET HA . 11408 1 1085 . 1 1 94 94 MET HB2 H 1 2.252 0.030 . 2 . . . . 94 MET HB2 . 11408 1 1086 . 1 1 94 94 MET HB3 H 1 1.982 0.030 . 2 . . . . 94 MET HB3 . 11408 1 1087 . 1 1 94 94 MET HE1 H 1 2.073 0.030 . 1 . . . . 94 MET HE . 11408 1 1088 . 1 1 94 94 MET HE2 H 1 2.073 0.030 . 1 . . . . 94 MET HE . 11408 1 1089 . 1 1 94 94 MET HE3 H 1 2.073 0.030 . 1 . . . . 94 MET HE . 11408 1 1090 . 1 1 94 94 MET HG2 H 1 2.644 0.030 . 2 . . . . 94 MET HG2 . 11408 1 1091 . 1 1 94 94 MET HG3 H 1 2.509 0.030 . 2 . . . . 94 MET HG3 . 11408 1 1092 . 1 1 94 94 MET C C 13 175.969 0.300 . 1 . . . . 94 MET C . 11408 1 1093 . 1 1 94 94 MET CA C 13 55.412 0.300 . 1 . . . . 94 MET CA . 11408 1 1094 . 1 1 94 94 MET CB C 13 32.258 0.300 . 1 . . . . 94 MET CB . 11408 1 1095 . 1 1 94 94 MET CE C 13 16.786 0.300 . 1 . . . . 94 MET CE . 11408 1 1096 . 1 1 94 94 MET CG C 13 32.291 0.300 . 1 . . . . 94 MET CG . 11408 1 1097 . 1 1 94 94 MET N N 15 123.019 0.300 . 1 . . . . 94 MET N . 11408 1 1098 . 1 1 95 95 LYS H H 1 7.823 0.030 . 1 . . . . 95 LYS H . 11408 1 1099 . 1 1 95 95 LYS HA H 1 4.476 0.030 . 1 . . . . 95 LYS HA . 11408 1 1100 . 1 1 95 95 LYS HB2 H 1 1.772 0.030 . 2 . . . . 95 LYS HB2 . 11408 1 1101 . 1 1 95 95 LYS HB3 H 1 1.643 0.030 . 2 . . . . 95 LYS HB3 . 11408 1 1102 . 1 1 95 95 LYS HD2 H 1 1.331 0.030 . 2 . . . . 95 LYS HD2 . 11408 1 1103 . 1 1 95 95 LYS HD3 H 1 1.278 0.030 . 2 . . . . 95 LYS HD3 . 11408 1 1104 . 1 1 95 95 LYS HE2 H 1 2.876 0.030 . 2 . . . . 95 LYS HE2 . 11408 1 1105 . 1 1 95 95 LYS HE3 H 1 2.810 0.030 . 2 . . . . 95 LYS HE3 . 11408 1 1106 . 1 1 95 95 LYS HG2 H 1 1.265 0.030 . 2 . . . . 95 LYS HG2 . 11408 1 1107 . 1 1 95 95 LYS HG3 H 1 1.172 0.030 . 2 . . . . 95 LYS HG3 . 11408 1 1108 . 1 1 95 95 LYS C C 13 174.498 0.300 . 1 . . . . 95 LYS C . 11408 1 1109 . 1 1 95 95 LYS CA C 13 54.960 0.300 . 1 . . . . 95 LYS CA . 11408 1 1110 . 1 1 95 95 LYS CB C 13 35.178 0.300 . 1 . . . . 95 LYS CB . 11408 1 1111 . 1 1 95 95 LYS CD C 13 28.864 0.300 . 1 . . . . 95 LYS CD . 11408 1 1112 . 1 1 95 95 LYS CE C 13 42.319 0.300 . 1 . . . . 95 LYS CE . 11408 1 1113 . 1 1 95 95 LYS CG C 13 25.271 0.300 . 1 . . . . 95 LYS CG . 11408 1 1114 . 1 1 95 95 LYS N N 15 119.532 0.300 . 1 . . . . 95 LYS N . 11408 1 1115 . 1 1 96 96 ARG H H 1 8.072 0.030 . 1 . . . . 96 ARG H . 11408 1 1116 . 1 1 96 96 ARG HA H 1 4.795 0.030 . 1 . . . . 96 ARG HA . 11408 1 1117 . 1 1 96 96 ARG HB2 H 1 1.554 0.030 . 2 . . . . 96 ARG HB2 . 11408 1 1118 . 1 1 96 96 ARG HB3 H 1 1.354 0.030 . 2 . . . . 96 ARG HB3 . 11408 1 1119 . 1 1 96 96 ARG HD2 H 1 3.140 0.030 . 2 . . . . 96 ARG HD2 . 11408 1 1120 . 1 1 96 96 ARG HD3 H 1 3.109 0.030 . 2 . . . . 96 ARG HD3 . 11408 1 1121 . 1 1 96 96 ARG HG2 H 1 1.499 0.030 . 2 . . . . 96 ARG HG2 . 11408 1 1122 . 1 1 96 96 ARG HG3 H 1 1.259 0.030 . 2 . . . . 96 ARG HG3 . 11408 1 1123 . 1 1 96 96 ARG C C 13 177.910 0.300 . 1 . . . . 96 ARG C . 11408 1 1124 . 1 1 96 96 ARG CA C 13 54.362 0.300 . 1 . . . . 96 ARG CA . 11408 1 1125 . 1 1 96 96 ARG CB C 13 31.813 0.300 . 1 . . . . 96 ARG CB . 11408 1 1126 . 1 1 96 96 ARG CD C 13 43.475 0.300 . 1 . . . . 96 ARG CD . 11408 1 1127 . 1 1 96 96 ARG CG C 13 28.068 0.300 . 1 . . . . 96 ARG CG . 11408 1 1128 . 1 1 96 96 ARG N N 15 119.458 0.300 . 1 . . . . 96 ARG N . 11408 1 1129 . 1 1 97 97 LEU H H 1 8.984 0.030 . 1 . . . . 97 LEU H . 11408 1 1130 . 1 1 97 97 LEU HA H 1 4.304 0.030 . 1 . . . . 97 LEU HA . 11408 1 1131 . 1 1 97 97 LEU HB2 H 1 2.120 0.030 . 2 . . . . 97 LEU HB2 . 11408 1 1132 . 1 1 97 97 LEU HB3 H 1 1.399 0.030 . 2 . . . . 97 LEU HB3 . 11408 1 1133 . 1 1 97 97 LEU HD11 H 1 0.875 0.030 . 1 . . . . 97 LEU HD1 . 11408 1 1134 . 1 1 97 97 LEU HD12 H 1 0.875 0.030 . 1 . . . . 97 LEU HD1 . 11408 1 1135 . 1 1 97 97 LEU HD13 H 1 0.875 0.030 . 1 . . . . 97 LEU HD1 . 11408 1 1136 . 1 1 97 97 LEU HD21 H 1 0.669 0.030 . 1 . . . . 97 LEU HD2 . 11408 1 1137 . 1 1 97 97 LEU HD22 H 1 0.669 0.030 . 1 . . . . 97 LEU HD2 . 11408 1 1138 . 1 1 97 97 LEU HD23 H 1 0.669 0.030 . 1 . . . . 97 LEU HD2 . 11408 1 1139 . 1 1 97 97 LEU HG H 1 1.961 0.030 . 1 . . . . 97 LEU HG . 11408 1 1140 . 1 1 97 97 LEU C C 13 178.216 0.300 . 1 . . . . 97 LEU C . 11408 1 1141 . 1 1 97 97 LEU CA C 13 55.850 0.300 . 1 . . . . 97 LEU CA . 11408 1 1142 . 1 1 97 97 LEU CB C 13 43.615 0.300 . 1 . . . . 97 LEU CB . 11408 1 1143 . 1 1 97 97 LEU CD1 C 13 25.849 0.300 . 2 . . . . 97 LEU CD1 . 11408 1 1144 . 1 1 97 97 LEU CD2 C 13 23.927 0.300 . 2 . . . . 97 LEU CD2 . 11408 1 1145 . 1 1 97 97 LEU CG C 13 26.739 0.300 . 1 . . . . 97 LEU CG . 11408 1 1146 . 1 1 97 97 LEU N N 15 122.285 0.300 . 1 . . . . 97 LEU N . 11408 1 1147 . 1 1 98 98 LYS H H 1 8.161 0.030 . 1 . . . . 98 LYS H . 11408 1 1148 . 1 1 98 98 LYS HA H 1 5.035 0.030 . 1 . . . . 98 LYS HA . 11408 1 1149 . 1 1 98 98 LYS HB2 H 1 1.343 0.030 . 2 . . . . 98 LYS HB2 . 11408 1 1150 . 1 1 98 98 LYS HB3 H 1 1.608 0.030 . 2 . . . . 98 LYS HB3 . 11408 1 1151 . 1 1 98 98 LYS HD2 H 1 1.772 0.030 . 2 . . . . 98 LYS HD2 . 11408 1 1152 . 1 1 98 98 LYS HD3 H 1 1.675 0.030 . 2 . . . . 98 LYS HD3 . 11408 1 1153 . 1 1 98 98 LYS HE2 H 1 3.031 0.030 . 1 . . . . 98 LYS HE2 . 11408 1 1154 . 1 1 98 98 LYS HE3 H 1 3.031 0.030 . 1 . . . . 98 LYS HE3 . 11408 1 1155 . 1 1 98 98 LYS HG2 H 1 1.421 0.030 . 2 . . . . 98 LYS HG2 . 11408 1 1156 . 1 1 98 98 LYS HG3 H 1 1.354 0.030 . 2 . . . . 98 LYS HG3 . 11408 1 1157 . 1 1 98 98 LYS C C 13 174.600 0.300 . 1 . . . . 98 LYS C . 11408 1 1158 . 1 1 98 98 LYS CA C 13 54.865 0.300 . 1 . . . . 98 LYS CA . 11408 1 1159 . 1 1 98 98 LYS CB C 13 33.927 0.300 . 1 . . . . 98 LYS CB . 11408 1 1160 . 1 1 98 98 LYS CD C 13 29.302 0.300 . 1 . . . . 98 LYS CD . 11408 1 1161 . 1 1 98 98 LYS CE C 13 42.109 0.300 . 1 . . . . 98 LYS CE . 11408 1 1162 . 1 1 98 98 LYS CG C 13 24.922 0.300 . 1 . . . . 98 LYS CG . 11408 1 1163 . 1 1 98 98 LYS N N 15 123.443 0.300 . 1 . . . . 98 LYS N . 11408 1 1164 . 1 1 99 99 VAL H H 1 8.704 0.030 . 1 . . . . 99 VAL H . 11408 1 1165 . 1 1 99 99 VAL HA H 1 4.754 0.030 . 1 . . . . 99 VAL HA . 11408 1 1166 . 1 1 99 99 VAL HB H 1 1.815 0.030 . 1 . . . . 99 VAL HB . 11408 1 1167 . 1 1 99 99 VAL HG11 H 1 0.973 0.030 . 1 . . . . 99 VAL HG1 . 11408 1 1168 . 1 1 99 99 VAL HG12 H 1 0.973 0.030 . 1 . . . . 99 VAL HG1 . 11408 1 1169 . 1 1 99 99 VAL HG13 H 1 0.973 0.030 . 1 . . . . 99 VAL HG1 . 11408 1 1170 . 1 1 99 99 VAL HG21 H 1 0.884 0.030 . 1 . . . . 99 VAL HG2 . 11408 1 1171 . 1 1 99 99 VAL HG22 H 1 0.884 0.030 . 1 . . . . 99 VAL HG2 . 11408 1 1172 . 1 1 99 99 VAL HG23 H 1 0.884 0.030 . 1 . . . . 99 VAL HG2 . 11408 1 1173 . 1 1 99 99 VAL C C 13 173.642 0.300 . 1 . . . . 99 VAL C . 11408 1 1174 . 1 1 99 99 VAL CA C 13 61.335 0.300 . 1 . . . . 99 VAL CA . 11408 1 1175 . 1 1 99 99 VAL CB C 13 34.787 0.300 . 1 . . . . 99 VAL CB . 11408 1 1176 . 1 1 99 99 VAL CG1 C 13 22.239 0.300 . 2 . . . . 99 VAL CG1 . 11408 1 1177 . 1 1 99 99 VAL CG2 C 13 23.364 0.300 . 2 . . . . 99 VAL CG2 . 11408 1 1178 . 1 1 99 99 VAL N N 15 124.057 0.300 . 1 . . . . 99 VAL N . 11408 1 1179 . 1 1 100 100 GLN H H 1 8.868 0.030 . 1 . . . . 100 GLN H . 11408 1 1180 . 1 1 100 100 GLN HA H 1 4.788 0.030 . 1 . . . . 100 GLN HA . 11408 1 1181 . 1 1 100 100 GLN HB2 H 1 2.133 0.030 . 1 . . . . 100 GLN HB2 . 11408 1 1182 . 1 1 100 100 GLN HB3 H 1 2.133 0.030 . 1 . . . . 100 GLN HB3 . 11408 1 1183 . 1 1 100 100 GLN HE21 H 1 7.798 0.030 . 2 . . . . 100 GLN HE21 . 11408 1 1184 . 1 1 100 100 GLN HE22 H 1 6.754 0.030 . 2 . . . . 100 GLN HE22 . 11408 1 1185 . 1 1 100 100 GLN HG2 H 1 2.352 0.030 . 1 . . . . 100 GLN HG2 . 11408 1 1186 . 1 1 100 100 GLN HG3 H 1 2.352 0.030 . 1 . . . . 100 GLN HG3 . 11408 1 1187 . 1 1 100 100 GLN C C 13 174.188 0.300 . 1 . . . . 100 GLN C . 11408 1 1188 . 1 1 100 100 GLN CA C 13 53.461 0.300 . 1 . . . . 100 GLN CA . 11408 1 1189 . 1 1 100 100 GLN CB C 13 32.709 0.300 . 1 . . . . 100 GLN CB . 11408 1 1190 . 1 1 100 100 GLN CG C 13 32.483 0.300 . 1 . . . . 100 GLN CG . 11408 1 1191 . 1 1 100 100 GLN N N 15 121.773 0.300 . 1 . . . . 100 GLN N . 11408 1 1192 . 1 1 100 100 GLN NE2 N 15 112.333 0.300 . 1 . . . . 100 GLN NE2 . 11408 1 1193 . 1 1 101 101 LEU H H 1 8.852 0.030 . 1 . . . . 101 LEU H . 11408 1 1194 . 1 1 101 101 LEU HA H 1 4.584 0.030 . 1 . . . . 101 LEU HA . 11408 1 1195 . 1 1 101 101 LEU HB2 H 1 1.806 0.030 . 2 . . . . 101 LEU HB2 . 11408 1 1196 . 1 1 101 101 LEU HB3 H 1 1.627 0.030 . 2 . . . . 101 LEU HB3 . 11408 1 1197 . 1 1 101 101 LEU HD11 H 1 0.999 0.030 . 1 . . . . 101 LEU HD1 . 11408 1 1198 . 1 1 101 101 LEU HD12 H 1 0.999 0.030 . 1 . . . . 101 LEU HD1 . 11408 1 1199 . 1 1 101 101 LEU HD13 H 1 0.999 0.030 . 1 . . . . 101 LEU HD1 . 11408 1 1200 . 1 1 101 101 LEU HD21 H 1 0.833 0.030 . 1 . . . . 101 LEU HD2 . 11408 1 1201 . 1 1 101 101 LEU HD22 H 1 0.833 0.030 . 1 . . . . 101 LEU HD2 . 11408 1 1202 . 1 1 101 101 LEU HD23 H 1 0.833 0.030 . 1 . . . . 101 LEU HD2 . 11408 1 1203 . 1 1 101 101 LEU HG H 1 1.740 0.030 . 1 . . . . 101 LEU HG . 11408 1 1204 . 1 1 101 101 LEU C C 13 178.821 0.300 . 1 . . . . 101 LEU C . 11408 1 1205 . 1 1 101 101 LEU CA C 13 56.108 0.300 . 1 . . . . 101 LEU CA . 11408 1 1206 . 1 1 101 101 LEU CB C 13 41.625 0.300 . 1 . . . . 101 LEU CB . 11408 1 1207 . 1 1 101 101 LEU CD1 C 13 25.919 0.300 . 2 . . . . 101 LEU CD1 . 11408 1 1208 . 1 1 101 101 LEU CD2 C 13 22.746 0.300 . 2 . . . . 101 LEU CD2 . 11408 1 1209 . 1 1 101 101 LEU CG C 13 26.747 0.300 . 1 . . . . 101 LEU CG . 11408 1 1210 . 1 1 101 101 LEU N N 15 121.043 0.300 . 1 . . . . 101 LEU N . 11408 1 1211 . 1 1 102 102 LYS H H 1 8.618 0.030 . 1 . . . . 102 LYS H . 11408 1 1212 . 1 1 102 102 LYS HA H 1 4.436 0.030 . 1 . . . . 102 LYS HA . 11408 1 1213 . 1 1 102 102 LYS HB2 H 1 2.258 0.030 . 2 . . . . 102 LYS HB2 . 11408 1 1214 . 1 1 102 102 LYS HB3 H 1 1.700 0.030 . 2 . . . . 102 LYS HB3 . 11408 1 1215 . 1 1 102 102 LYS HD2 H 1 2.033 0.030 . 2 . . . . 102 LYS HD2 . 11408 1 1216 . 1 1 102 102 LYS HD3 H 1 1.729 0.030 . 2 . . . . 102 LYS HD3 . 11408 1 1217 . 1 1 102 102 LYS HE2 H 1 3.046 0.030 . 1 . . . . 102 LYS HE2 . 11408 1 1218 . 1 1 102 102 LYS HE3 H 1 3.046 0.030 . 1 . . . . 102 LYS HE3 . 11408 1 1219 . 1 1 102 102 LYS HG2 H 1 1.510 0.030 . 2 . . . . 102 LYS HG2 . 11408 1 1220 . 1 1 102 102 LYS HG3 H 1 1.311 0.030 . 2 . . . . 102 LYS HG3 . 11408 1 1221 . 1 1 102 102 LYS C C 13 174.828 0.300 . 1 . . . . 102 LYS C . 11408 1 1222 . 1 1 102 102 LYS CA C 13 56.452 0.300 . 1 . . . . 102 LYS CA . 11408 1 1223 . 1 1 102 102 LYS CB C 13 33.326 0.300 . 1 . . . . 102 LYS CB . 11408 1 1224 . 1 1 102 102 LYS CD C 13 30.372 0.300 . 1 . . . . 102 LYS CD . 11408 1 1225 . 1 1 102 102 LYS CE C 13 42.260 0.300 . 1 . . . . 102 LYS CE . 11408 1 1226 . 1 1 102 102 LYS CG C 13 24.467 0.300 . 1 . . . . 102 LYS CG . 11408 1 1227 . 1 1 102 102 LYS N N 15 122.257 0.300 . 1 . . . . 102 LYS N . 11408 1 1228 . 1 1 103 103 ARG H H 1 7.883 0.030 . 1 . . . . 103 ARG H . 11408 1 1229 . 1 1 103 103 ARG HA H 1 4.223 0.030 . 1 . . . . 103 ARG HA . 11408 1 1230 . 1 1 103 103 ARG HB2 H 1 1.665 0.030 . 2 . . . . 103 ARG HB2 . 11408 1 1231 . 1 1 103 103 ARG HB3 H 1 1.468 0.030 . 2 . . . . 103 ARG HB3 . 11408 1 1232 . 1 1 103 103 ARG HD2 H 1 2.952 0.030 . 1 . . . . 103 ARG HD2 . 11408 1 1233 . 1 1 103 103 ARG HD3 H 1 2.952 0.030 . 1 . . . . 103 ARG HD3 . 11408 1 1234 . 1 1 103 103 ARG HG2 H 1 1.540 0.030 . 2 . . . . 103 ARG HG2 . 11408 1 1235 . 1 1 103 103 ARG HG3 H 1 1.493 0.030 . 2 . . . . 103 ARG HG3 . 11408 1 1236 . 1 1 103 103 ARG C C 13 176.016 0.300 . 1 . . . . 103 ARG C . 11408 1 1237 . 1 1 103 103 ARG CA C 13 56.537 0.300 . 1 . . . . 103 ARG CA . 11408 1 1238 . 1 1 103 103 ARG CB C 13 30.872 0.300 . 1 . . . . 103 ARG CB . 11408 1 1239 . 1 1 103 103 ARG CD C 13 43.718 0.300 . 1 . . . . 103 ARG CD . 11408 1 1240 . 1 1 103 103 ARG CG C 13 26.835 0.300 . 1 . . . . 103 ARG CG . 11408 1 1241 . 1 1 103 103 ARG N N 15 123.278 0.300 . 1 . . . . 103 ARG N . 11408 1 1242 . 1 1 104 104 SER H H 1 8.711 0.030 . 1 . . . . 104 SER H . 11408 1 1243 . 1 1 104 104 SER HA H 1 4.534 0.030 . 1 . . . . 104 SER HA . 11408 1 1244 . 1 1 104 104 SER HB2 H 1 3.954 0.030 . 2 . . . . 104 SER HB2 . 11408 1 1245 . 1 1 104 104 SER HB3 H 1 3.886 0.030 . 2 . . . . 104 SER HB3 . 11408 1 1246 . 1 1 104 104 SER C C 13 174.999 0.300 . 1 . . . . 104 SER C . 11408 1 1247 . 1 1 104 104 SER CA C 13 58.088 0.300 . 1 . . . . 104 SER CA . 11408 1 1248 . 1 1 104 104 SER CB C 13 64.116 0.300 . 1 . . . . 104 SER CB . 11408 1 1249 . 1 1 104 104 SER N N 15 121.159 0.300 . 1 . . . . 104 SER N . 11408 1 1250 . 1 1 105 105 LYS H H 1 8.792 0.030 . 1 . . . . 105 LYS H . 11408 1 1251 . 1 1 105 105 LYS HA H 1 4.238 0.030 . 1 . . . . 105 LYS HA . 11408 1 1252 . 1 1 105 105 LYS HB2 H 1 1.841 0.030 . 2 . . . . 105 LYS HB2 . 11408 1 1253 . 1 1 105 105 LYS HB3 H 1 1.782 0.030 . 2 . . . . 105 LYS HB3 . 11408 1 1254 . 1 1 105 105 LYS HD2 H 1 1.658 0.030 . 1 . . . . 105 LYS HD2 . 11408 1 1255 . 1 1 105 105 LYS HD3 H 1 1.658 0.030 . 1 . . . . 105 LYS HD3 . 11408 1 1256 . 1 1 105 105 LYS HE2 H 1 2.980 0.030 . 1 . . . . 105 LYS HE2 . 11408 1 1257 . 1 1 105 105 LYS HE3 H 1 2.980 0.030 . 1 . . . . 105 LYS HE3 . 11408 1 1258 . 1 1 105 105 LYS HG2 H 1 1.465 0.030 . 1 . . . . 105 LYS HG2 . 11408 1 1259 . 1 1 105 105 LYS HG3 H 1 1.465 0.030 . 1 . . . . 105 LYS HG3 . 11408 1 1260 . 1 1 105 105 LYS C C 13 176.714 0.300 . 1 . . . . 105 LYS C . 11408 1 1261 . 1 1 105 105 LYS CA C 13 57.154 0.300 . 1 . . . . 105 LYS CA . 11408 1 1262 . 1 1 105 105 LYS CB C 13 32.725 0.300 . 1 . . . . 105 LYS CB . 11408 1 1263 . 1 1 105 105 LYS CD C 13 29.072 0.300 . 1 . . . . 105 LYS CD . 11408 1 1264 . 1 1 105 105 LYS CE C 13 41.973 0.300 . 1 . . . . 105 LYS CE . 11408 1 1265 . 1 1 105 105 LYS CG C 13 24.732 0.300 . 1 . . . . 105 LYS CG . 11408 1 1266 . 1 1 105 105 LYS N N 15 124.469 0.300 . 1 . . . . 105 LYS N . 11408 1 1267 . 1 1 106 106 ASN H H 1 8.457 0.030 . 1 . . . . 106 ASN H . 11408 1 1268 . 1 1 106 106 ASN HA H 1 4.710 0.030 . 1 . . . . 106 ASN HA . 11408 1 1269 . 1 1 106 106 ASN HB2 H 1 2.831 0.030 . 2 . . . . 106 ASN HB2 . 11408 1 1270 . 1 1 106 106 ASN HB3 H 1 2.701 0.030 . 2 . . . . 106 ASN HB3 . 11408 1 1271 . 1 1 106 106 ASN HD21 H 1 7.634 0.030 . 2 . . . . 106 ASN HD21 . 11408 1 1272 . 1 1 106 106 ASN HD22 H 1 6.963 0.030 . 2 . . . . 106 ASN HD22 . 11408 1 1273 . 1 1 106 106 ASN C C 13 175.005 0.300 . 1 . . . . 106 ASN C . 11408 1 1274 . 1 1 106 106 ASN CA C 13 53.263 0.300 . 1 . . . . 106 ASN CA . 11408 1 1275 . 1 1 106 106 ASN CB C 13 38.901 0.300 . 1 . . . . 106 ASN CB . 11408 1 1276 . 1 1 106 106 ASN N N 15 118.595 0.300 . 1 . . . . 106 ASN N . 11408 1 1277 . 1 1 106 106 ASN ND2 N 15 113.231 0.300 . 1 . . . . 106 ASN ND2 . 11408 1 1278 . 1 1 107 107 ASP H H 1 8.126 0.030 . 1 . . . . 107 ASP H . 11408 1 1279 . 1 1 107 107 ASP HA H 1 4.610 0.030 . 1 . . . . 107 ASP HA . 11408 1 1280 . 1 1 107 107 ASP HB2 H 1 2.684 0.030 . 1 . . . . 107 ASP HB2 . 11408 1 1281 . 1 1 107 107 ASP HB3 H 1 2.684 0.030 . 1 . . . . 107 ASP HB3 . 11408 1 1282 . 1 1 107 107 ASP C C 13 176.520 0.300 . 1 . . . . 107 ASP C . 11408 1 1283 . 1 1 107 107 ASP CA C 13 54.512 0.300 . 1 . . . . 107 ASP CA . 11408 1 1284 . 1 1 107 107 ASP CB C 13 41.295 0.300 . 1 . . . . 107 ASP CB . 11408 1 1285 . 1 1 107 107 ASP N N 15 121.113 0.300 . 1 . . . . 107 ASP N . 11408 1 1286 . 1 1 108 108 SER H H 1 8.268 0.030 . 1 . . . . 108 SER H . 11408 1 1287 . 1 1 108 108 SER HA H 1 4.386 0.030 . 1 . . . . 108 SER HA . 11408 1 1288 . 1 1 108 108 SER HB2 H 1 3.903 0.030 . 2 . . . . 108 SER HB2 . 11408 1 1289 . 1 1 108 108 SER HB3 H 1 3.864 0.030 . 2 . . . . 108 SER HB3 . 11408 1 1290 . 1 1 108 108 SER C C 13 174.755 0.300 . 1 . . . . 108 SER C . 11408 1 1291 . 1 1 108 108 SER CA C 13 58.763 0.300 . 1 . . . . 108 SER CA . 11408 1 1292 . 1 1 108 108 SER CB C 13 63.699 0.300 . 1 . . . . 108 SER CB . 11408 1 1293 . 1 1 108 108 SER N N 15 116.355 0.300 . 1 . . . . 108 SER N . 11408 1 1294 . 1 1 109 109 LYS H H 1 8.342 0.030 . 1 . . . . 109 LYS H . 11408 1 1295 . 1 1 109 109 LYS HA H 1 4.364 0.030 . 1 . . . . 109 LYS HA . 11408 1 1296 . 1 1 109 109 LYS HB2 H 1 1.881 0.030 . 2 . . . . 109 LYS HB2 . 11408 1 1297 . 1 1 109 109 LYS HB3 H 1 1.787 0.030 . 2 . . . . 109 LYS HB3 . 11408 1 1298 . 1 1 109 109 LYS HD2 H 1 1.663 0.030 . 1 . . . . 109 LYS HD2 . 11408 1 1299 . 1 1 109 109 LYS HD3 H 1 1.663 0.030 . 1 . . . . 109 LYS HD3 . 11408 1 1300 . 1 1 109 109 LYS HE2 H 1 2.975 0.030 . 1 . . . . 109 LYS HE2 . 11408 1 1301 . 1 1 109 109 LYS HE3 H 1 2.975 0.030 . 1 . . . . 109 LYS HE3 . 11408 1 1302 . 1 1 109 109 LYS HG2 H 1 1.405 0.030 . 1 . . . . 109 LYS HG2 . 11408 1 1303 . 1 1 109 109 LYS HG3 H 1 1.405 0.030 . 1 . . . . 109 LYS HG3 . 11408 1 1304 . 1 1 109 109 LYS C C 13 176.626 0.300 . 1 . . . . 109 LYS C . 11408 1 1305 . 1 1 109 109 LYS CA C 13 56.356 0.300 . 1 . . . . 109 LYS CA . 11408 1 1306 . 1 1 109 109 LYS CB C 13 32.715 0.300 . 1 . . . . 109 LYS CB . 11408 1 1307 . 1 1 109 109 LYS CD C 13 29.004 0.300 . 1 . . . . 109 LYS CD . 11408 1 1308 . 1 1 109 109 LYS CE C 13 42.013 0.300 . 1 . . . . 109 LYS CE . 11408 1 1309 . 1 1 109 109 LYS CG C 13 24.643 0.300 . 1 . . . . 109 LYS CG . 11408 1 1310 . 1 1 109 109 LYS N N 15 122.828 0.300 . 1 . . . . 109 LYS N . 11408 1 1311 . 1 1 110 110 SER H H 1 8.223 0.030 . 1 . . . . 110 SER H . 11408 1 1312 . 1 1 110 110 SER HA H 1 4.480 0.030 . 1 . . . . 110 SER HA . 11408 1 1313 . 1 1 110 110 SER HB2 H 1 3.857 0.030 . 1 . . . . 110 SER HB2 . 11408 1 1314 . 1 1 110 110 SER HB3 H 1 3.857 0.030 . 1 . . . . 110 SER HB3 . 11408 1 1315 . 1 1 110 110 SER C C 13 174.458 0.300 . 1 . . . . 110 SER C . 11408 1 1316 . 1 1 110 110 SER CA C 13 58.358 0.300 . 1 . . . . 110 SER CA . 11408 1 1317 . 1 1 110 110 SER CB C 13 63.976 0.300 . 1 . . . . 110 SER CB . 11408 1 1318 . 1 1 110 110 SER N N 15 116.340 0.300 . 1 . . . . 110 SER N . 11408 1 1319 . 1 1 111 111 GLY H H 1 8.207 0.030 . 1 . . . . 111 GLY H . 11408 1 1320 . 1 1 111 111 GLY HA2 H 1 4.133 0.030 . 2 . . . . 111 GLY HA2 . 11408 1 1321 . 1 1 111 111 GLY HA3 H 1 4.094 0.030 . 2 . . . . 111 GLY HA3 . 11408 1 1322 . 1 1 111 111 GLY CA C 13 44.686 0.300 . 1 . . . . 111 GLY CA . 11408 1 1323 . 1 1 111 111 GLY N N 15 110.641 0.300 . 1 . . . . 111 GLY N . 11408 1 1324 . 1 1 112 112 PRO HA H 1 4.462 0.030 . 1 . . . . 112 PRO HA . 11408 1 1325 . 1 1 112 112 PRO HB2 H 1 2.269 0.030 . 2 . . . . 112 PRO HB2 . 11408 1 1326 . 1 1 112 112 PRO HB3 H 1 1.956 0.030 . 2 . . . . 112 PRO HB3 . 11408 1 1327 . 1 1 112 112 PRO HD2 H 1 3.614 0.030 . 1 . . . . 112 PRO HD2 . 11408 1 1328 . 1 1 112 112 PRO HD3 H 1 3.614 0.030 . 1 . . . . 112 PRO HD3 . 11408 1 1329 . 1 1 112 112 PRO HG2 H 1 2.001 0.030 . 1 . . . . 112 PRO HG2 . 11408 1 1330 . 1 1 112 112 PRO HG3 H 1 2.001 0.030 . 1 . . . . 112 PRO HG3 . 11408 1 1331 . 1 1 112 112 PRO CA C 13 63.274 0.300 . 1 . . . . 112 PRO CA . 11408 1 1332 . 1 1 112 112 PRO CB C 13 32.205 0.300 . 1 . . . . 112 PRO CB . 11408 1 1333 . 1 1 112 112 PRO CD C 13 49.791 0.300 . 1 . . . . 112 PRO CD . 11408 1 1334 . 1 1 112 112 PRO CG C 13 27.169 0.300 . 1 . . . . 112 PRO CG . 11408 1 1335 . 1 1 113 113 SER H H 1 8.513 0.030 . 1 . . . . 113 SER H . 11408 1 1336 . 1 1 113 113 SER N N 15 116.401 0.300 . 1 . . . . 113 SER N . 11408 1 stop_ save_