data_19688 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19688 _Entry.Title ; 1H, 15N and 13C resonance assignments of the yeast Pih1 and Tah1 C-terminal domains complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-17 _Entry.Accession_date 2013-12-17 _Entry.Last_release_date 2014-02-19 _Entry.Original_release_date 2014-02-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jacquemin Clemence . . . 19688 2 Bruno Charpentier . . . 19688 3 Xavier Manival . . . 19688 4 Marc Quinternet . . . 19688 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19688 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 490 19688 '15N chemical shifts' 105 19688 '1H chemical shifts' 799 19688 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 . . 2014-02-19 2013-12-17 original author . 19688 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19688 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-014-9547-1 _Citation.PubMed_ID 24493341 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C resonance assignments of the yeast Pih1 and Tah1 C-terminal domains complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Xavier Manival . . . 19688 1 2 Clemence Jacquemin . . . 19688 1 3 Bruno Charpentier . . . 19688 1 4 Marc Quinternet . . . 19688 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Chaperone 19688 1 HSP90 19688 1 R2TP 19688 1 'RNA processing' 19688 1 snoRNP 19688 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19688 _Assembly.ID 1 _Assembly.Name Tah1Pih1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Tah1, (93-111)' 1 $Tah1(93-111) A . yes native no no . . . 19688 1 2 'Pih1, (257-344)' 2 $Pih1(257-344) B . yes native no no . . . 19688 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tah1(93-111) _Entity.Sf_category entity _Entity.Sf_framecode Tah1(93-111) _Entity.Entry_ID 19688 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tah1(93-111) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMSVQIPVVEVDELPEGY DRS ; _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 23 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17312 . Tah1 . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 2 no BMRB 18445 . entity . . . . . 82.61 110 100.00 100.00 3.51e-03 . . . . 19688 1 3 no BMRB 18447 . entity_1 . . . . . 82.61 110 100.00 100.00 3.51e-03 . . . . 19688 1 4 no PDB 2L6J . "Tah1 Complexed By Meevd" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 5 no PDB 2LSU . "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" . . . . . 82.61 110 100.00 100.00 3.51e-03 . . . . 19688 1 6 no PDB 2LSV . "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" . . . . . 82.61 110 100.00 100.00 3.51e-03 . . . . 19688 1 7 no PDB 2MNJ . "Nmr Solution Structure Of The Yeast Pih1 And Tah1 C-terminal Domains Complex" . . . . . 100.00 23 100.00 100.00 2.62e-06 . . . . 19688 1 8 no PDB 4CGQ . "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" . . . . . 82.61 111 100.00 100.00 3.59e-03 . . . . 19688 1 9 no PDB 4CGU . "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" . . . . . 82.61 112 100.00 100.00 3.14e-03 . . . . 19688 1 10 no DBJ GAA21965 . "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 82.61 111 100.00 100.00 2.52e-03 . . . . 19688 1 11 no EMBL CAA42288 . "hypothetical protein [Saccharomyces cerevisiae]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 12 no EMBL CAY78265 . "Tah1p [Saccharomyces cerevisiae EC1118]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 13 no GB AAS56477 . "YCR060W [Saccharomyces cerevisiae]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 14 no GB AHN96120 . "TAH1 [synthetic construct]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 15 no GB AHV79323 . "TAH1 [synthetic construct]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 16 no GB AHY79733 . "Tah1p [Saccharomyces cerevisiae YJM993]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 17 no GB AJP37484 . "Tah1p [Saccharomyces cerevisiae YJM1078]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 18 no REF NP_009986 . "Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 19 no SP P25638 . "RecName: Full=TPR repeat-containing protein associated with Hsp90" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 20 no TPG DAA07534 . "TPA: Tah1p [Saccharomyces cerevisiae S288c]" . . . . . 82.61 111 100.00 100.00 2.89e-03 . . . . 19688 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19688 1 2 2 PRO . 19688 1 3 3 HIS . 19688 1 4 4 MET . 19688 1 5 5 SER . 19688 1 6 6 VAL . 19688 1 7 7 GLN . 19688 1 8 8 ILE . 19688 1 9 9 PRO . 19688 1 10 10 VAL . 19688 1 11 11 VAL . 19688 1 12 12 GLU . 19688 1 13 13 VAL . 19688 1 14 14 ASP . 19688 1 15 15 GLU . 19688 1 16 16 LEU . 19688 1 17 17 PRO . 19688 1 18 18 GLU . 19688 1 19 19 GLY . 19688 1 20 20 TYR . 19688 1 21 21 ASP . 19688 1 22 22 ARG . 19688 1 23 23 SER . 19688 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 19688 1 . PRO 2 2 19688 1 . HIS 3 3 19688 1 . MET 4 4 19688 1 . SER 5 5 19688 1 . VAL 6 6 19688 1 . GLN 7 7 19688 1 . ILE 8 8 19688 1 . PRO 9 9 19688 1 . VAL 10 10 19688 1 . VAL 11 11 19688 1 . GLU 12 12 19688 1 . VAL 13 13 19688 1 . ASP 14 14 19688 1 . GLU 15 15 19688 1 . LEU 16 16 19688 1 . PRO 17 17 19688 1 . GLU 18 18 19688 1 . GLY 19 19 19688 1 . TYR 20 20 19688 1 . ASP 21 21 19688 1 . ARG 22 22 19688 1 . SER 23 23 19688 1 stop_ save_ save_Pih1(257-344) _Entity.Sf_category entity _Entity.Sf_framecode Pih1(257-344) _Entity.Entry_ID 19688 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pih1(257-344) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PHEQQEDVPEYEVKMKRFKG AAYKLRILIENKAPNSKPDR FSPSYNFAENILYINGKLSI PLPRDIVVNAADIKIFHIRK ERTLYIYI ; _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 88 _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 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4CGU . "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" . . . . . 100.00 158 98.86 98.86 1.92e-53 . . . . 19688 2 2 no DBJ GAA23749 . "K7_Pih1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 344 98.86 100.00 2.49e-52 . . . . 19688 2 3 no EMBL CAY80321 . "Pih1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 346 97.73 100.00 4.85e-52 . . . . 19688 2 4 no GB AAB68914 . "Yhr034cp [Saccharomyces cerevisiae]" . . . . . 100.00 344 100.00 100.00 5.81e-53 . . . . 19688 2 5 no GB AHY77731 . "Pih1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 346 98.86 100.00 1.89e-52 . . . . 19688 2 6 no GB EDN62271 . "protein interacting with hsp90 [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 352 100.00 100.00 5.79e-53 . . . . 19688 2 7 no GB EDV09085 . "protein interacting with Hsp90 1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 346 97.73 98.86 2.16e-51 . . . . 19688 2 8 no GB EEU05764 . "Pih1p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 346 97.73 100.00 4.85e-52 . . . . 19688 2 9 no REF NP_011899 . "Pih1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 344 100.00 100.00 5.81e-53 . . . . 19688 2 10 no SP P38768 . "RecName: Full=Protein interacting with Hsp90 1; AltName: Full=Nucleolar protein 17 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 344 100.00 100.00 5.81e-53 . . . . 19688 2 11 no TPG DAA06725 . "TPA: Pih1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 344 100.00 100.00 5.81e-53 . . . . 19688 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 25 PRO . 19688 2 2 26 HIS . 19688 2 3 27 GLU . 19688 2 4 28 GLN . 19688 2 5 29 GLN . 19688 2 6 30 GLU . 19688 2 7 31 ASP . 19688 2 8 32 VAL . 19688 2 9 33 PRO . 19688 2 10 34 GLU . 19688 2 11 35 TYR . 19688 2 12 36 GLU . 19688 2 13 37 VAL . 19688 2 14 38 LYS . 19688 2 15 39 MET . 19688 2 16 40 LYS . 19688 2 17 41 ARG . 19688 2 18 42 PHE . 19688 2 19 43 LYS . 19688 2 20 44 GLY . 19688 2 21 45 ALA . 19688 2 22 46 ALA . 19688 2 23 47 TYR . 19688 2 24 48 LYS . 19688 2 25 49 LEU . 19688 2 26 50 ARG . 19688 2 27 51 ILE . 19688 2 28 52 LEU . 19688 2 29 53 ILE . 19688 2 30 54 GLU . 19688 2 31 55 ASN . 19688 2 32 56 LYS . 19688 2 33 57 ALA . 19688 2 34 58 PRO . 19688 2 35 59 ASN . 19688 2 36 60 SER . 19688 2 37 61 LYS . 19688 2 38 62 PRO . 19688 2 39 63 ASP . 19688 2 40 64 ARG . 19688 2 41 65 PHE . 19688 2 42 66 SER . 19688 2 43 67 PRO . 19688 2 44 68 SER . 19688 2 45 69 TYR . 19688 2 46 70 ASN . 19688 2 47 71 PHE . 19688 2 48 72 ALA . 19688 2 49 73 GLU . 19688 2 50 74 ASN . 19688 2 51 75 ILE . 19688 2 52 76 LEU . 19688 2 53 77 TYR . 19688 2 54 78 ILE . 19688 2 55 79 ASN . 19688 2 56 80 GLY . 19688 2 57 81 LYS . 19688 2 58 82 LEU . 19688 2 59 83 SER . 19688 2 60 84 ILE . 19688 2 61 85 PRO . 19688 2 62 86 LEU . 19688 2 63 87 PRO . 19688 2 64 88 ARG . 19688 2 65 89 ASP . 19688 2 66 90 ILE . 19688 2 67 91 VAL . 19688 2 68 92 VAL . 19688 2 69 93 ASN . 19688 2 70 94 ALA . 19688 2 71 95 ALA . 19688 2 72 96 ASP . 19688 2 73 97 ILE . 19688 2 74 98 LYS . 19688 2 75 99 ILE . 19688 2 76 100 PHE . 19688 2 77 101 HIS . 19688 2 78 102 ILE . 19688 2 79 103 ARG . 19688 2 80 104 LYS . 19688 2 81 105 GLU . 19688 2 82 106 ARG . 19688 2 83 107 THR . 19688 2 84 108 LEU . 19688 2 85 109 TYR . 19688 2 86 110 ILE . 19688 2 87 111 TYR . 19688 2 88 112 ILE . 19688 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 . PRO 1 1 19688 2 . HIS 2 2 19688 2 . GLU 3 3 19688 2 . GLN 4 4 19688 2 . GLN 5 5 19688 2 . GLU 6 6 19688 2 . ASP 7 7 19688 2 . VAL 8 8 19688 2 . PRO 9 9 19688 2 . GLU 10 10 19688 2 . TYR 11 11 19688 2 . GLU 12 12 19688 2 . VAL 13 13 19688 2 . LYS 14 14 19688 2 . MET 15 15 19688 2 . LYS 16 16 19688 2 . ARG 17 17 19688 2 . PHE 18 18 19688 2 . LYS 19 19 19688 2 . GLY 20 20 19688 2 . ALA 21 21 19688 2 . ALA 22 22 19688 2 . TYR 23 23 19688 2 . LYS 24 24 19688 2 . LEU 25 25 19688 2 . ARG 26 26 19688 2 . ILE 27 27 19688 2 . LEU 28 28 19688 2 . ILE 29 29 19688 2 . GLU 30 30 19688 2 . ASN 31 31 19688 2 . LYS 32 32 19688 2 . ALA 33 33 19688 2 . PRO 34 34 19688 2 . ASN 35 35 19688 2 . SER 36 36 19688 2 . LYS 37 37 19688 2 . PRO 38 38 19688 2 . ASP 39 39 19688 2 . ARG 40 40 19688 2 . PHE 41 41 19688 2 . SER 42 42 19688 2 . PRO 43 43 19688 2 . SER 44 44 19688 2 . TYR 45 45 19688 2 . ASN 46 46 19688 2 . PHE 47 47 19688 2 . ALA 48 48 19688 2 . GLU 49 49 19688 2 . ASN 50 50 19688 2 . ILE 51 51 19688 2 . LEU 52 52 19688 2 . TYR 53 53 19688 2 . ILE 54 54 19688 2 . ASN 55 55 19688 2 . GLY 56 56 19688 2 . LYS 57 57 19688 2 . LEU 58 58 19688 2 . SER 59 59 19688 2 . ILE 60 60 19688 2 . PRO 61 61 19688 2 . LEU 62 62 19688 2 . PRO 63 63 19688 2 . ARG 64 64 19688 2 . ASP 65 65 19688 2 . ILE 66 66 19688 2 . VAL 67 67 19688 2 . VAL 68 68 19688 2 . ASN 69 69 19688 2 . ALA 70 70 19688 2 . ALA 71 71 19688 2 . ASP 72 72 19688 2 . ILE 73 73 19688 2 . LYS 74 74 19688 2 . ILE 75 75 19688 2 . PHE 76 76 19688 2 . HIS 77 77 19688 2 . ILE 78 78 19688 2 . ARG 79 79 19688 2 . LYS 80 80 19688 2 . GLU 81 81 19688 2 . ARG 82 82 19688 2 . THR 83 83 19688 2 . LEU 84 84 19688 2 . TYR 85 85 19688 2 . ILE 86 86 19688 2 . TYR 87 87 19688 2 . ILE 88 88 19688 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 19688 _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 $Tah1(93-111) . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19688 1 2 2 $Pih1(257-344) . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19688 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 19688 _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 $Tah1(93-111) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pnEA-3CH . . . . . . 19688 1 2 2 $Pih1(257-344) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pnCS . . . . . . 19688 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19688 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tah1(93-111) '[U-100% 13C; U-100% 15N]' . . 1 $Tah1(93-111) . . 1.5 . . mM . . . . 19688 1 2 Pih1(257-344) '[U-100% 13C; U-100% 15N]' . . 2 $Pih1(257-344) . . 1.5 . . mM . . . . 19688 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19688 _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' 50 . mM 19688 1 pH 6.4 . pH 19688 1 pressure 1 . atm 19688 1 temperature 298 . K 19688 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19688 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19688 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19688 1 processing 19688 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19688 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19688 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19688 2 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 19688 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19688 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19688 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 19688 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19688 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19688 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' cylindrical . . . . . . . 19688 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical . . . . . . . 19688 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' cylindrical . . . . . . . 19688 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19688 1 2 '2D 1H-13C HSQC' . . . 19688 1 3 '3D CBCA(CO)NH' . . . 19688 1 4 '3D HNCO' . . . 19688 1 5 '3D HNCA' . . . 19688 1 6 '3D HNCACB' . . . 19688 1 7 '3D HCCH-TOCSY' . . . 19688 1 8 '3D HCCH-COSY' . . . 19688 1 9 '3D 1H-15N NOESY' . . . 19688 1 10 '3D 1H-13C NOESY' . . . 19688 1 11 '3D H(CCO)NH' . . . 19688 1 12 '3D C(CO)NH' . . . 19688 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 2 $CARA . . 19688 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET HA H 1 4.543 0.020 . 1 . . . . 4 MET HA . 19688 1 2 . 1 1 4 4 MET HB2 H 1 1.971 0.020 . 1 . . . . 4 MET HB2 . 19688 1 3 . 1 1 4 4 MET HB3 H 1 2.051 0.020 . 1 . . . . 4 MET HB3 . 19688 1 4 . 1 1 4 4 MET HG2 H 1 2.444 0.020 . 1 . . . . 4 MET HG2 . 19688 1 5 . 1 1 4 4 MET HG3 H 1 2.541 0.020 . 1 . . . . 4 MET HG3 . 19688 1 6 . 1 1 4 4 MET HE1 H 1 2.069 0.020 . 1 . . . . 4 MET HE# . 19688 1 7 . 1 1 4 4 MET HE2 H 1 2.069 0.020 . 1 . . . . 4 MET HE# . 19688 1 8 . 1 1 4 4 MET HE3 H 1 2.069 0.020 . 1 . . . . 4 MET HE# . 19688 1 9 . 1 1 4 4 MET C C 13 175.334 0.300 . 1 . . . . 4 MET C . 19688 1 10 . 1 1 4 4 MET CA C 13 55.625 0.300 . 1 . . . . 4 MET CA . 19688 1 11 . 1 1 4 4 MET CB C 13 32.654 0.300 . 1 . . . . 4 MET CB . 19688 1 12 . 1 1 4 4 MET CG C 13 32.044 0.300 . 1 . . . . 4 MET CG . 19688 1 13 . 1 1 4 4 MET CE C 13 17.035 0.300 . 1 . . . . 4 MET CE . 19688 1 14 . 1 1 5 5 SER H H 1 8.111 0.020 . 1 . . . . 5 SER H . 19688 1 15 . 1 1 5 5 SER HA H 1 5.176 0.020 . 1 . . . . 5 SER HA . 19688 1 16 . 1 1 5 5 SER HB2 H 1 3.623 0.020 . 2 . . . . 5 SER QB . 19688 1 17 . 1 1 5 5 SER HB3 H 1 3.623 0.020 . 2 . . . . 5 SER QB . 19688 1 18 . 1 1 5 5 SER C C 13 173.450 0.300 . 1 . . . . 5 SER C . 19688 1 19 . 1 1 5 5 SER CA C 13 57.544 0.300 . 1 . . . . 5 SER CA . 19688 1 20 . 1 1 5 5 SER CB C 13 65.179 0.300 . 1 . . . . 5 SER CB . 19688 1 21 . 1 1 5 5 SER N N 15 115.552 0.300 . 1 . . . . 5 SER N . 19688 1 22 . 1 1 6 6 VAL H H 1 8.506 0.020 . 1 . . . . 6 VAL H . 19688 1 23 . 1 1 6 6 VAL HA H 1 4.519 0.020 . 1 . . . . 6 VAL HA . 19688 1 24 . 1 1 6 6 VAL HB H 1 2.155 0.020 . 1 . . . . 6 VAL HB . 19688 1 25 . 1 1 6 6 VAL HG11 H 1 1.088 0.020 . 2 . . . . 6 VAL QG1 . 19688 1 26 . 1 1 6 6 VAL HG12 H 1 1.088 0.020 . 2 . . . . 6 VAL QG1 . 19688 1 27 . 1 1 6 6 VAL HG13 H 1 1.088 0.020 . 2 . . . . 6 VAL QG1 . 19688 1 28 . 1 1 6 6 VAL HG21 H 1 1.150 0.020 . 2 . . . . 6 VAL QG2 . 19688 1 29 . 1 1 6 6 VAL HG22 H 1 1.150 0.020 . 2 . . . . 6 VAL QG2 . 19688 1 30 . 1 1 6 6 VAL HG23 H 1 1.150 0.020 . 2 . . . . 6 VAL QG2 . 19688 1 31 . 1 1 6 6 VAL C C 13 175.008 0.300 . 1 . . . . 6 VAL C . 19688 1 32 . 1 1 6 6 VAL CA C 13 60.540 0.300 . 1 . . . . 6 VAL CA . 19688 1 33 . 1 1 6 6 VAL CB C 13 34.654 0.300 . 1 . . . . 6 VAL CB . 19688 1 34 . 1 1 6 6 VAL CG1 C 13 21.184 0.300 . 1 . . . . 6 VAL CG1 . 19688 1 35 . 1 1 6 6 VAL CG2 C 13 20.721 0.300 . 1 . . . . 6 VAL CG2 . 19688 1 36 . 1 1 6 6 VAL N N 15 120.601 0.300 . 1 . . . . 6 VAL N . 19688 1 37 . 1 1 7 7 GLN H H 1 8.747 0.020 . 1 . . . . 7 GLN H . 19688 1 38 . 1 1 7 7 GLN HA H 1 4.411 0.020 . 1 . . . . 7 GLN HA . 19688 1 39 . 1 1 7 7 GLN HB2 H 1 2.038 0.020 . 2 . . . . 7 GLN QB . 19688 1 40 . 1 1 7 7 GLN HB3 H 1 2.038 0.020 . 2 . . . . 7 GLN QB . 19688 1 41 . 1 1 7 7 GLN HG2 H 1 2.342 0.020 . 1 . . . . 7 GLN HG2 . 19688 1 42 . 1 1 7 7 GLN HG3 H 1 2.444 0.020 . 1 . . . . 7 GLN HG3 . 19688 1 43 . 1 1 7 7 GLN HE21 H 1 6.773 0.020 . 1 . . . . 7 GLN HE21 . 19688 1 44 . 1 1 7 7 GLN HE22 H 1 7.580 0.020 . 1 . . . . 7 GLN HE22 . 19688 1 45 . 1 1 7 7 GLN C C 13 175.347 0.300 . 1 . . . . 7 GLN C . 19688 1 46 . 1 1 7 7 GLN CA C 13 56.519 0.300 . 1 . . . . 7 GLN CA . 19688 1 47 . 1 1 7 7 GLN CB C 13 29.327 0.300 . 1 . . . . 7 GLN CB . 19688 1 48 . 1 1 7 7 GLN CG C 13 34.352 0.300 . 1 . . . . 7 GLN CG . 19688 1 49 . 1 1 7 7 GLN CD C 13 180.197 0.300 . 1 . . . . 7 GLN CD . 19688 1 50 . 1 1 7 7 GLN N N 15 125.947 0.300 . 1 . . . . 7 GLN N . 19688 1 51 . 1 1 7 7 GLN NE2 N 15 112.205 0.300 . 1 . . . . 7 GLN NE2 . 19688 1 52 . 1 1 8 8 ILE H H 1 7.932 0.020 . 1 . . . . 8 ILE H . 19688 1 53 . 1 1 8 8 ILE HA H 1 4.661 0.020 . 1 . . . . 8 ILE HA . 19688 1 54 . 1 1 8 8 ILE HB H 1 1.574 0.020 . 1 . . . . 8 ILE HB . 19688 1 55 . 1 1 8 8 ILE HG12 H 1 1.326 0.020 . 1 . . . . 8 ILE QG1 . 19688 1 56 . 1 1 8 8 ILE HG13 H 1 1.326 0.020 . 1 . . . . 8 ILE QG1 . 19688 1 57 . 1 1 8 8 ILE HG21 H 1 0.933 0.020 . 1 . . . . 8 ILE QG2 . 19688 1 58 . 1 1 8 8 ILE HG22 H 1 0.933 0.020 . 1 . . . . 8 ILE QG2 . 19688 1 59 . 1 1 8 8 ILE HG23 H 1 0.933 0.020 . 1 . . . . 8 ILE QG2 . 19688 1 60 . 1 1 8 8 ILE HD11 H 1 0.765 0.020 . 1 . . . . 8 ILE QD1 . 19688 1 61 . 1 1 8 8 ILE HD12 H 1 0.765 0.020 . 1 . . . . 8 ILE QD1 . 19688 1 62 . 1 1 8 8 ILE HD13 H 1 0.765 0.020 . 1 . . . . 8 ILE QD1 . 19688 1 63 . 1 1 8 8 ILE C C 13 173.743 0.300 . 1 . . . . 8 ILE C . 19688 1 64 . 1 1 8 8 ILE CA C 13 56.505 0.300 . 1 . . . . 8 ILE CA . 19688 1 65 . 1 1 8 8 ILE CB C 13 40.312 0.300 . 1 . . . . 8 ILE CB . 19688 1 66 . 1 1 8 8 ILE CG1 C 13 26.732 0.300 . 1 . . . . 8 ILE CG1 . 19688 1 67 . 1 1 8 8 ILE CG2 C 13 17.538 0.300 . 1 . . . . 8 ILE CG2 . 19688 1 68 . 1 1 8 8 ILE CD1 C 13 13.300 0.300 . 1 . . . . 8 ILE CD1 . 19688 1 69 . 1 1 8 8 ILE N N 15 125.114 0.300 . 1 . . . . 8 ILE N . 19688 1 70 . 1 1 9 9 PRO HA H 1 4.397 0.020 . 1 . . . . 9 PRO HA . 19688 1 71 . 1 1 9 9 PRO HB2 H 1 1.799 0.020 . 1 . . . . 9 PRO HB2 . 19688 1 72 . 1 1 9 9 PRO HB3 H 1 2.200 0.020 . 1 . . . . 9 PRO HB3 . 19688 1 73 . 1 1 9 9 PRO HG2 H 1 1.858 0.020 . 1 . . . . 9 PRO HG2 . 19688 1 74 . 1 1 9 9 PRO HG3 H 1 1.944 0.020 . 1 . . . . 9 PRO HG3 . 19688 1 75 . 1 1 9 9 PRO HD2 H 1 3.505 0.020 . 2 . . . . 9 PRO QD . 19688 1 76 . 1 1 9 9 PRO HD3 H 1 3.505 0.020 . 2 . . . . 9 PRO QD . 19688 1 77 . 1 1 9 9 PRO C C 13 175.498 0.300 . 1 . . . . 9 PRO C . 19688 1 78 . 1 1 9 9 PRO CA C 13 63.011 0.300 . 1 . . . . 9 PRO CA . 19688 1 79 . 1 1 9 9 PRO CB C 13 32.197 0.300 . 1 . . . . 9 PRO CB . 19688 1 80 . 1 1 9 9 PRO CG C 13 26.718 0.300 . 1 . . . . 9 PRO CG . 19688 1 81 . 1 1 9 9 PRO CD C 13 49.278 0.300 . 1 . . . . 9 PRO CD . 19688 1 82 . 1 1 10 10 VAL H H 1 8.312 0.020 . 1 . . . . 10 VAL H . 19688 1 83 . 1 1 10 10 VAL HA H 1 3.966 0.020 . 1 . . . . 10 VAL HA . 19688 1 84 . 1 1 10 10 VAL HB H 1 2.067 0.020 . 1 . . . . 10 VAL HB . 19688 1 85 . 1 1 10 10 VAL HG11 H 1 0.834 0.020 . 2 . . . . 10 VAL QG1 . 19688 1 86 . 1 1 10 10 VAL HG12 H 1 0.834 0.020 . 2 . . . . 10 VAL QG1 . 19688 1 87 . 1 1 10 10 VAL HG13 H 1 0.834 0.020 . 2 . . . . 10 VAL QG1 . 19688 1 88 . 1 1 10 10 VAL HG21 H 1 0.882 0.020 . 2 . . . . 10 VAL QG2 . 19688 1 89 . 1 1 10 10 VAL HG22 H 1 0.882 0.020 . 2 . . . . 10 VAL QG2 . 19688 1 90 . 1 1 10 10 VAL HG23 H 1 0.882 0.020 . 2 . . . . 10 VAL QG2 . 19688 1 91 . 1 1 10 10 VAL C C 13 175.874 0.300 . 1 . . . . 10 VAL C . 19688 1 92 . 1 1 10 10 VAL CA C 13 61.730 0.300 . 1 . . . . 10 VAL CA . 19688 1 93 . 1 1 10 10 VAL CB C 13 33.335 0.300 . 1 . . . . 10 VAL CB . 19688 1 94 . 1 1 10 10 VAL CG1 C 13 22.732 0.300 . 1 . . . . 10 VAL CG1 . 19688 1 95 . 1 1 10 10 VAL CG2 C 13 22.117 0.300 . 1 . . . . 10 VAL CG2 . 19688 1 96 . 1 1 10 10 VAL N N 15 120.668 0.300 . 1 . . . . 10 VAL N . 19688 1 97 . 1 1 11 11 VAL H H 1 8.530 0.020 . 1 . . . . 11 VAL H . 19688 1 98 . 1 1 11 11 VAL HA H 1 4.294 0.020 . 1 . . . . 11 VAL HA . 19688 1 99 . 1 1 11 11 VAL HB H 1 2.155 0.020 . 1 . . . . 11 VAL HB . 19688 1 100 . 1 1 11 11 VAL HG11 H 1 0.855 0.020 . 2 . . . . 11 VAL QG1 . 19688 1 101 . 1 1 11 11 VAL HG12 H 1 0.855 0.020 . 2 . . . . 11 VAL QG1 . 19688 1 102 . 1 1 11 11 VAL HG13 H 1 0.855 0.020 . 2 . . . . 11 VAL QG1 . 19688 1 103 . 1 1 11 11 VAL HG21 H 1 1.061 0.020 . 2 . . . . 11 VAL QG2 . 19688 1 104 . 1 1 11 11 VAL HG22 H 1 1.061 0.020 . 2 . . . . 11 VAL QG2 . 19688 1 105 . 1 1 11 11 VAL HG23 H 1 1.061 0.020 . 2 . . . . 11 VAL QG2 . 19688 1 106 . 1 1 11 11 VAL C C 13 175.757 0.300 . 1 . . . . 11 VAL C . 19688 1 107 . 1 1 11 11 VAL CA C 13 62.012 0.300 . 1 . . . . 11 VAL CA . 19688 1 108 . 1 1 11 11 VAL CB C 13 32.509 0.300 . 1 . . . . 11 VAL CB . 19688 1 109 . 1 1 11 11 VAL CG1 C 13 20.877 0.300 . 1 . . . . 11 VAL CG1 . 19688 1 110 . 1 1 11 11 VAL CG2 C 13 21.199 0.300 . 1 . . . . 11 VAL CG2 . 19688 1 111 . 1 1 11 11 VAL N N 15 130.290 0.300 . 1 . . . . 11 VAL N . 19688 1 112 . 1 1 12 12 GLU H H 1 8.982 0.020 . 1 . . . . 12 GLU H . 19688 1 113 . 1 1 12 12 GLU HA H 1 5.160 0.020 . 1 . . . . 12 GLU HA . 19688 1 114 . 1 1 12 12 GLU HB2 H 1 2.115 0.020 . 2 . . . . 12 GLU QB . 19688 1 115 . 1 1 12 12 GLU HB3 H 1 2.115 0.020 . 2 . . . . 12 GLU QB . 19688 1 116 . 1 1 12 12 GLU HG2 H 1 2.303 0.020 . 1 . . . . 12 GLU HG2 . 19688 1 117 . 1 1 12 12 GLU HG3 H 1 2.518 0.020 . 1 . . . . 12 GLU HG3 . 19688 1 118 . 1 1 12 12 GLU C C 13 176.249 0.300 . 1 . . . . 12 GLU C . 19688 1 119 . 1 1 12 12 GLU CA C 13 56.291 0.300 . 1 . . . . 12 GLU CA . 19688 1 120 . 1 1 12 12 GLU CB C 13 29.535 0.300 . 1 . . . . 12 GLU CB . 19688 1 121 . 1 1 12 12 GLU CG C 13 36.182 0.300 . 1 . . . . 12 GLU CG . 19688 1 122 . 1 1 12 12 GLU N N 15 129.880 0.300 . 1 . . . . 12 GLU N . 19688 1 123 . 1 1 13 13 VAL H H 1 8.387 0.020 . 1 . . . . 13 VAL H . 19688 1 124 . 1 1 13 13 VAL HA H 1 4.888 0.020 . 1 . . . . 13 VAL HA . 19688 1 125 . 1 1 13 13 VAL HB H 1 2.380 0.020 . 1 . . . . 13 VAL HB . 19688 1 126 . 1 1 13 13 VAL HG11 H 1 0.545 0.020 . 2 . . . . 13 VAL QG1 . 19688 1 127 . 1 1 13 13 VAL HG12 H 1 0.545 0.020 . 2 . . . . 13 VAL QG1 . 19688 1 128 . 1 1 13 13 VAL HG13 H 1 0.545 0.020 . 2 . . . . 13 VAL QG1 . 19688 1 129 . 1 1 13 13 VAL HG21 H 1 1.041 0.020 . 2 . . . . 13 VAL QG2 . 19688 1 130 . 1 1 13 13 VAL HG22 H 1 1.041 0.020 . 2 . . . . 13 VAL QG2 . 19688 1 131 . 1 1 13 13 VAL HG23 H 1 1.041 0.020 . 2 . . . . 13 VAL QG2 . 19688 1 132 . 1 1 13 13 VAL C C 13 174.890 0.300 . 1 . . . . 13 VAL C . 19688 1 133 . 1 1 13 13 VAL CA C 13 58.984 0.300 . 1 . . . . 13 VAL CA . 19688 1 134 . 1 1 13 13 VAL CB C 13 36.383 0.300 . 1 . . . . 13 VAL CB . 19688 1 135 . 1 1 13 13 VAL CG1 C 13 19.276 0.300 . 1 . . . . 13 VAL CG1 . 19688 1 136 . 1 1 13 13 VAL CG2 C 13 23.710 0.300 . 1 . . . . 13 VAL CG2 . 19688 1 137 . 1 1 13 13 VAL N N 15 116.792 0.300 . 1 . . . . 13 VAL N . 19688 1 138 . 1 1 14 14 ASP H H 1 8.724 0.020 . 1 . . . . 14 ASP H . 19688 1 139 . 1 1 14 14 ASP HA H 1 4.870 0.020 . 1 . . . . 14 ASP HA . 19688 1 140 . 1 1 14 14 ASP HB2 H 1 2.558 0.020 . 1 . . . . 14 ASP HB2 . 19688 1 141 . 1 1 14 14 ASP HB3 H 1 2.733 0.020 . 1 . . . . 14 ASP HB3 . 19688 1 142 . 1 1 14 14 ASP C C 13 175.710 0.300 . 1 . . . . 14 ASP C . 19688 1 143 . 1 1 14 14 ASP CA C 13 55.465 0.300 . 1 . . . . 14 ASP CA . 19688 1 144 . 1 1 14 14 ASP CB C 13 41.848 0.300 . 1 . . . . 14 ASP CB . 19688 1 145 . 1 1 14 14 ASP N N 15 118.938 0.300 . 1 . . . . 14 ASP N . 19688 1 146 . 1 1 15 15 GLU H H 1 7.399 0.020 . 1 . . . . 15 GLU H . 19688 1 147 . 1 1 15 15 GLU HA H 1 4.329 0.020 . 1 . . . . 15 GLU HA . 19688 1 148 . 1 1 15 15 GLU HB2 H 1 1.795 0.020 . 1 . . . . 15 GLU HB2 . 19688 1 149 . 1 1 15 15 GLU HB3 H 1 1.883 0.020 . 1 . . . . 15 GLU HB3 . 19688 1 150 . 1 1 15 15 GLU HG2 H 1 2.097 0.020 . 2 . . . . 15 GLU QG . 19688 1 151 . 1 1 15 15 GLU HG3 H 1 2.097 0.020 . 2 . . . . 15 GLU QG . 19688 1 152 . 1 1 15 15 GLU C C 13 174.200 0.300 . 1 . . . . 15 GLU C . 19688 1 153 . 1 1 15 15 GLU CA C 13 53.972 0.300 . 1 . . . . 15 GLU CA . 19688 1 154 . 1 1 15 15 GLU CB C 13 32.440 0.300 . 1 . . . . 15 GLU CB . 19688 1 155 . 1 1 15 15 GLU CG C 13 34.909 0.300 . 1 . . . . 15 GLU CG . 19688 1 156 . 1 1 15 15 GLU N N 15 115.134 0.300 . 1 . . . . 15 GLU N . 19688 1 157 . 1 1 16 16 LEU H H 1 8.819 0.020 . 1 . . . . 16 LEU H . 19688 1 158 . 1 1 16 16 LEU HA H 1 3.696 0.020 . 1 . . . . 16 LEU HA . 19688 1 159 . 1 1 16 16 LEU HB2 H 1 0.914 0.020 . 1 . . . . 16 LEU HB2 . 19688 1 160 . 1 1 16 16 LEU HB3 H 1 1.369 0.020 . 1 . . . . 16 LEU HB3 . 19688 1 161 . 1 1 16 16 LEU HG H 1 1.076 0.020 . 1 . . . . 16 LEU HG . 19688 1 162 . 1 1 16 16 LEU HD11 H 1 0.065 0.020 . 2 . . . . 16 LEU QD1 . 19688 1 163 . 1 1 16 16 LEU HD12 H 1 0.065 0.020 . 2 . . . . 16 LEU QD1 . 19688 1 164 . 1 1 16 16 LEU HD13 H 1 0.065 0.020 . 2 . . . . 16 LEU QD1 . 19688 1 165 . 1 1 16 16 LEU HD21 H 1 0.195 0.020 . 2 . . . . 16 LEU QD2 . 19688 1 166 . 1 1 16 16 LEU HD22 H 1 0.195 0.020 . 2 . . . . 16 LEU QD2 . 19688 1 167 . 1 1 16 16 LEU HD23 H 1 0.195 0.020 . 2 . . . . 16 LEU QD2 . 19688 1 168 . 1 1 16 16 LEU C C 13 174.738 0.300 . 1 . . . . 16 LEU C . 19688 1 169 . 1 1 16 16 LEU CA C 13 53.166 0.300 . 1 . . . . 16 LEU CA . 19688 1 170 . 1 1 16 16 LEU CB C 13 40.837 0.300 . 1 . . . . 16 LEU CB . 19688 1 171 . 1 1 16 16 LEU CG C 13 26.447 0.300 . 1 . . . . 16 LEU CG . 19688 1 172 . 1 1 16 16 LEU CD1 C 13 22.982 0.300 . 1 . . . . 16 LEU CD1 . 19688 1 173 . 1 1 16 16 LEU CD2 C 13 25.572 0.300 . 1 . . . . 16 LEU CD2 . 19688 1 174 . 1 1 16 16 LEU N N 15 124.013 0.300 . 1 . . . . 16 LEU N . 19688 1 175 . 1 1 17 17 PRO HA H 1 4.356 0.020 . 1 . . . . 17 PRO HA . 19688 1 176 . 1 1 17 17 PRO HB2 H 1 1.991 0.020 . 1 . . . . 17 PRO HB2 . 19688 1 177 . 1 1 17 17 PRO HB3 H 1 2.420 0.020 . 1 . . . . 17 PRO HB3 . 19688 1 178 . 1 1 17 17 PRO HG2 H 1 2.033 0.020 . 2 . . . . 17 PRO QG . 19688 1 179 . 1 1 17 17 PRO HG3 H 1 2.033 0.020 . 2 . . . . 17 PRO QG . 19688 1 180 . 1 1 17 17 PRO HD2 H 1 3.372 0.020 . 1 . . . . 17 PRO HD2 . 19688 1 181 . 1 1 17 17 PRO HD3 H 1 3.418 0.020 . 1 . . . . 17 PRO HD3 . 19688 1 182 . 1 1 17 17 PRO C C 13 175.556 0.300 . 1 . . . . 17 PRO C . 19688 1 183 . 1 1 17 17 PRO CA C 13 62.451 0.300 . 1 . . . . 17 PRO CA . 19688 1 184 . 1 1 17 17 PRO CB C 13 32.212 0.300 . 1 . . . . 17 PRO CB . 19688 1 185 . 1 1 17 17 PRO CG C 13 26.399 0.300 . 1 . . . . 17 PRO CG . 19688 1 186 . 1 1 17 17 PRO CD C 13 49.209 0.300 . 1 . . . . 17 PRO CD . 19688 1 187 . 1 1 18 18 GLU H H 1 8.406 0.020 . 1 . . . . 18 GLU H . 19688 1 188 . 1 1 18 18 GLU HA H 1 3.946 0.020 . 1 . . . . 18 GLU HA . 19688 1 189 . 1 1 18 18 GLU HB2 H 1 1.887 0.020 . 1 . . . . 18 GLU HB2 . 19688 1 190 . 1 1 18 18 GLU HB3 H 1 1.960 0.020 . 1 . . . . 18 GLU HB3 . 19688 1 191 . 1 1 18 18 GLU HG2 H 1 2.233 0.020 . 2 . . . . 18 GLU QG . 19688 1 192 . 1 1 18 18 GLU HG3 H 1 2.233 0.020 . 2 . . . . 18 GLU QG . 19688 1 193 . 1 1 18 18 GLU C C 13 176.893 0.300 . 1 . . . . 18 GLU C . 19688 1 194 . 1 1 18 18 GLU CA C 13 57.972 0.300 . 1 . . . . 18 GLU CA . 19688 1 195 . 1 1 18 18 GLU CB C 13 29.604 0.300 . 1 . . . . 18 GLU CB . 19688 1 196 . 1 1 18 18 GLU CG C 13 35.942 0.300 . 1 . . . . 18 GLU CG . 19688 1 197 . 1 1 18 18 GLU N N 15 120.839 0.300 . 1 . . . . 18 GLU N . 19688 1 198 . 1 1 19 19 GLY H H 1 8.650 0.020 . 1 . . . . 19 GLY H . 19688 1 199 . 1 1 19 19 GLY HA2 H 1 3.469 0.020 . 1 . . . . 19 GLY HA2 . 19688 1 200 . 1 1 19 19 GLY HA3 H 1 4.028 0.020 . 1 . . . . 19 GLY HA3 . 19688 1 201 . 1 1 19 19 GLY C C 13 174.223 0.300 . 1 . . . . 19 GLY C . 19688 1 202 . 1 1 19 19 GLY CA C 13 44.348 0.300 . 1 . . . . 19 GLY CA . 19688 1 203 . 1 1 19 19 GLY N N 15 110.774 0.300 . 1 . . . . 19 GLY N . 19688 1 204 . 1 1 20 20 TYR H H 1 7.169 0.020 . 1 . . . . 20 TYR H . 19688 1 205 . 1 1 20 20 TYR HA H 1 3.872 0.020 . 1 . . . . 20 TYR HA . 19688 1 206 . 1 1 20 20 TYR HB2 H 1 2.128 0.020 . 1 . . . . 20 TYR HB2 . 19688 1 207 . 1 1 20 20 TYR HB3 H 1 2.263 0.020 . 1 . . . . 20 TYR HB3 . 19688 1 208 . 1 1 20 20 TYR HD1 H 1 5.641 0.020 . 1 . . . . 20 TYR QD . 19688 1 209 . 1 1 20 20 TYR HD2 H 1 5.641 0.020 . 1 . . . . 20 TYR QD . 19688 1 210 . 1 1 20 20 TYR HE1 H 1 6.457 0.020 . 1 . . . . 20 TYR QE . 19688 1 211 . 1 1 20 20 TYR HE2 H 1 6.457 0.020 . 1 . . . . 20 TYR QE . 19688 1 212 . 1 1 20 20 TYR C C 13 173.731 0.300 . 1 . . . . 20 TYR C . 19688 1 213 . 1 1 20 20 TYR CA C 13 58.611 0.300 . 1 . . . . 20 TYR CA . 19688 1 214 . 1 1 20 20 TYR CB C 13 37.559 0.300 . 1 . . . . 20 TYR CB . 19688 1 215 . 1 1 20 20 TYR CD1 C 13 133.396 0.300 . 1 . . . . 20 TYR CD1 . 19688 1 216 . 1 1 20 20 TYR CE1 C 13 116.854 0.300 . 1 . . . . 20 TYR CE1 . 19688 1 217 . 1 1 20 20 TYR N N 15 120.394 0.300 . 1 . . . . 20 TYR N . 19688 1 218 . 1 1 21 21 ASP H H 1 7.491 0.020 . 1 . . . . 21 ASP H . 19688 1 219 . 1 1 21 21 ASP HA H 1 4.573 0.020 . 1 . . . . 21 ASP HA . 19688 1 220 . 1 1 21 21 ASP HB2 H 1 2.713 0.020 . 1 . . . . 21 ASP HB2 . 19688 1 221 . 1 1 21 21 ASP HB3 H 1 2.841 0.020 . 1 . . . . 21 ASP HB3 . 19688 1 222 . 1 1 21 21 ASP C C 13 178.485 0.300 . 1 . . . . 21 ASP C . 19688 1 223 . 1 1 21 21 ASP CA C 13 55.092 0.300 . 1 . . . . 21 ASP CA . 19688 1 224 . 1 1 21 21 ASP CB C 13 42.678 0.300 . 1 . . . . 21 ASP CB . 19688 1 225 . 1 1 21 21 ASP N N 15 122.330 0.300 . 1 . . . . 21 ASP N . 19688 1 226 . 1 1 22 22 ARG H H 1 9.406 0.020 . 1 . . . . 22 ARG H . 19688 1 227 . 1 1 22 22 ARG HA H 1 4.578 0.020 . 1 . . . . 22 ARG HA . 19688 1 228 . 1 1 22 22 ARG HB2 H 1 1.806 0.020 . 1 . . . . 22 ARG HB2 . 19688 1 229 . 1 1 22 22 ARG HB3 H 1 2.021 0.020 . 1 . . . . 22 ARG HB3 . 19688 1 230 . 1 1 22 22 ARG HG2 H 1 1.583 0.020 . 1 . . . . 22 ARG HG2 . 19688 1 231 . 1 1 22 22 ARG HG3 H 1 1.685 0.020 . 1 . . . . 22 ARG HG3 . 19688 1 232 . 1 1 22 22 ARG HD2 H 1 3.074 0.020 . 1 . . . . 22 ARG HD2 . 19688 1 233 . 1 1 22 22 ARG HD3 H 1 3.163 0.020 . 1 . . . . 22 ARG HD3 . 19688 1 234 . 1 1 22 22 ARG C C 13 175.335 0.300 . 1 . . . . 22 ARG C . 19688 1 235 . 1 1 22 22 ARG CA C 13 56.052 0.300 . 1 . . . . 22 ARG CA . 19688 1 236 . 1 1 22 22 ARG CB C 13 31.264 0.300 . 1 . . . . 22 ARG CB . 19688 1 237 . 1 1 22 22 ARG CG C 13 26.393 0.300 . 1 . . . . 22 ARG CG . 19688 1 238 . 1 1 22 22 ARG CD C 13 43.706 0.300 . 1 . . . . 22 ARG CD . 19688 1 239 . 1 1 22 22 ARG N N 15 129.791 0.300 . 1 . . . . 22 ARG N . 19688 1 240 . 1 1 23 23 SER H H 1 8.757 0.020 . 1 . . . . 23 SER H . 19688 1 241 . 1 1 23 23 SER HA H 1 4.278 0.020 . 1 . . . . 23 SER HA . 19688 1 242 . 1 1 23 23 SER HB2 H 1 3.987 0.020 . 1 . . . . 23 SER HB2 . 19688 1 243 . 1 1 23 23 SER HB3 H 1 4.022 0.020 . 1 . . . . 23 SER HB3 . 19688 1 244 . 1 1 23 23 SER CA C 13 61.116 0.300 . 1 . . . . 23 SER CA . 19688 1 245 . 1 1 23 23 SER CB C 13 65.033 0.300 . 1 . . . . 23 SER CB . 19688 1 246 . 1 1 23 23 SER N N 15 124.944 0.300 . 1 . . . . 23 SER N . 19688 1 247 . 2 2 3 3 GLU HA H 1 4.671 0.020 . 1 . . . . 27 GLU HA . 19688 1 248 . 2 2 3 3 GLU HB2 H 1 2.021 0.020 . 1 . . . . 27 GLU HB2 . 19688 1 249 . 2 2 3 3 GLU HB3 H 1 2.079 0.020 . 1 . . . . 27 GLU HB3 . 19688 1 250 . 2 2 3 3 GLU HG2 H 1 2.362 0.020 . 2 . . . . 27 GLU HG# . 19688 1 251 . 2 2 3 3 GLU HG3 H 1 2.362 0.020 . 2 . . . . 27 GLU HG# . 19688 1 252 . 2 2 3 3 GLU CA C 13 56.431 0.300 . 1 . . . . 27 GLU CA . 19688 1 253 . 2 2 3 3 GLU CB C 13 30.094 0.300 . 1 . . . . 27 GLU CB . 19688 1 254 . 2 2 3 3 GLU CG C 13 36.071 0.300 . 1 . . . . 27 GLU CG . 19688 1 255 . 2 2 4 4 GLN H H 1 8.668 0.020 . 1 . . . . 28 GLN H . 19688 1 256 . 2 2 4 4 GLN HA H 1 4.281 0.020 . 1 . . . . 28 GLN HA . 19688 1 257 . 2 2 4 4 GLN HB2 H 1 1.904 0.020 . 1 . . . . 28 GLN HB2 . 19688 1 258 . 2 2 4 4 GLN HB3 H 1 2.014 0.020 . 1 . . . . 28 GLN HB3 . 19688 1 259 . 2 2 4 4 GLN HG2 H 1 2.234 0.020 . 2 . . . . 28 GLN HG# . 19688 1 260 . 2 2 4 4 GLN HG3 H 1 2.234 0.020 . 2 . . . . 28 GLN HG# . 19688 1 261 . 2 2 4 4 GLN C C 13 176.213 0.300 . 1 . . . . 28 GLN C . 19688 1 262 . 2 2 4 4 GLN CA C 13 56.822 0.300 . 1 . . . . 28 GLN CA . 19688 1 263 . 2 2 4 4 GLN CB C 13 30.094 0.300 . 1 . . . . 28 GLN CB . 19688 1 264 . 2 2 4 4 GLN CG C 13 36.253 0.300 . 1 . . . . 28 GLN CG . 19688 1 265 . 2 2 4 4 GLN N N 15 122.753 0.300 . 1 . . . . 28 GLN N . 19688 1 266 . 2 2 5 5 GLN H H 1 8.558 0.020 . 1 . . . . 29 GLN H . 19688 1 267 . 2 2 5 5 GLN HA H 1 4.342 0.020 . 1 . . . . 29 GLN HA . 19688 1 268 . 2 2 5 5 GLN HB2 H 1 1.996 0.020 . 1 . . . . 29 GLN HB2 . 19688 1 269 . 2 2 5 5 GLN HB3 H 1 2.088 0.020 . 1 . . . . 29 GLN HB3 . 19688 1 270 . 2 2 5 5 GLN HG2 H 1 2.355 0.020 . 2 . . . . 29 GLN HG# . 19688 1 271 . 2 2 5 5 GLN HG3 H 1 2.355 0.020 . 2 . . . . 29 GLN HG# . 19688 1 272 . 2 2 5 5 GLN HE21 H 1 6.860 0.020 . 1 . . . . 29 GLN HE21 . 19688 1 273 . 2 2 5 5 GLN HE22 H 1 7.608 0.020 . 1 . . . . 29 GLN HE22 . 19688 1 274 . 2 2 5 5 GLN C C 13 175.780 0.300 . 1 . . . . 29 GLN C . 19688 1 275 . 2 2 5 5 GLN CA C 13 55.872 0.300 . 1 . . . . 29 GLN CA . 19688 1 276 . 2 2 5 5 GLN CB C 13 29.272 0.300 . 1 . . . . 29 GLN CB . 19688 1 277 . 2 2 5 5 GLN CG C 13 33.797 0.300 . 1 . . . . 29 GLN CG . 19688 1 278 . 2 2 5 5 GLN N N 15 121.458 0.300 . 1 . . . . 29 GLN N . 19688 1 279 . 2 2 5 5 GLN NE2 N 15 112.650 0.300 . 1 . . . . 29 GLN NE2 . 19688 1 280 . 2 2 6 6 GLU H H 1 8.521 0.020 . 1 . . . . 30 GLU H . 19688 1 281 . 2 2 6 6 GLU HA H 1 4.317 0.020 . 1 . . . . 30 GLU HA . 19688 1 282 . 2 2 6 6 GLU HB2 H 1 1.974 0.020 . 2 . . . . 30 GLU HB . 19688 1 283 . 2 2 6 6 GLU HB3 H 1 1.974 0.020 . 2 . . . . 30 GLU HB . 19688 1 284 . 2 2 6 6 GLU HG2 H 1 2.229 0.020 . 1 . . . . 30 GLU HG2 . 19688 1 285 . 2 2 6 6 GLU HG3 H 1 2.358 0.020 . 1 . . . . 30 GLU HG3 . 19688 1 286 . 2 2 6 6 GLU C C 13 175.886 0.300 . 1 . . . . 30 GLU C . 19688 1 287 . 2 2 6 6 GLU CA C 13 56.454 0.300 . 1 . . . . 30 GLU CA . 19688 1 288 . 2 2 6 6 GLU CB C 13 30.509 0.300 . 1 . . . . 30 GLU CB . 19688 1 289 . 2 2 6 6 GLU CG C 13 36.232 0.300 . 1 . . . . 30 GLU CG . 19688 1 290 . 2 2 6 6 GLU N N 15 122.173 0.300 . 1 . . . . 30 GLU N . 19688 1 291 . 2 2 7 7 ASP H H 1 8.358 0.020 . 1 . . . . 31 ASP H . 19688 1 292 . 2 2 7 7 ASP HA H 1 4.589 0.020 . 1 . . . . 31 ASP HA . 19688 1 293 . 2 2 7 7 ASP HB2 H 1 2.464 0.020 . 1 . . . . 31 ASP HB2 . 19688 1 294 . 2 2 7 7 ASP HB3 H 1 2.612 0.020 . 1 . . . . 31 ASP HB3 . 19688 1 295 . 2 2 7 7 ASP C C 13 175.628 0.300 . 1 . . . . 31 ASP C . 19688 1 296 . 2 2 7 7 ASP CA C 13 54.284 0.300 . 1 . . . . 31 ASP CA . 19688 1 297 . 2 2 7 7 ASP CB C 13 41.156 0.300 . 1 . . . . 31 ASP CB . 19688 1 298 . 2 2 7 7 ASP N N 15 121.713 0.300 . 1 . . . . 31 ASP N . 19688 1 299 . 2 2 8 8 VAL H H 1 8.006 0.020 . 1 . . . . 32 VAL H . 19688 1 300 . 2 2 8 8 VAL HA H 1 4.382 0.020 . 1 . . . . 32 VAL HA . 19688 1 301 . 2 2 8 8 VAL HB H 1 2.076 0.020 . 1 . . . . 32 VAL HB . 19688 1 302 . 2 2 8 8 VAL HG11 H 1 0.921 0.020 . 2 . . . . 32 VAL HG1 . 19688 1 303 . 2 2 8 8 VAL HG12 H 1 0.921 0.020 . 2 . . . . 32 VAL HG1 . 19688 1 304 . 2 2 8 8 VAL HG13 H 1 0.921 0.020 . 2 . . . . 32 VAL HG1 . 19688 1 305 . 2 2 8 8 VAL HG21 H 1 0.984 0.020 . 2 . . . . 32 VAL HG2 . 19688 1 306 . 2 2 8 8 VAL HG22 H 1 0.984 0.020 . 2 . . . . 32 VAL HG2 . 19688 1 307 . 2 2 8 8 VAL HG23 H 1 0.984 0.020 . 2 . . . . 32 VAL HG2 . 19688 1 308 . 2 2 8 8 VAL C C 13 173.883 0.300 . 1 . . . . 32 VAL C . 19688 1 309 . 2 2 8 8 VAL CA C 13 59.730 0.300 . 1 . . . . 32 VAL CA . 19688 1 310 . 2 2 8 8 VAL CB C 13 32.233 0.300 . 1 . . . . 32 VAL CB . 19688 1 311 . 2 2 8 8 VAL CG1 C 13 20.342 0.300 . 1 . . . . 32 VAL CG1 . 19688 1 312 . 2 2 8 8 VAL CG2 C 13 21.228 0.300 . 1 . . . . 32 VAL CG2 . 19688 1 313 . 2 2 8 8 VAL N N 15 121.330 0.300 . 1 . . . . 32 VAL N . 19688 1 314 . 2 2 9 9 PRO HA H 1 4.278 0.020 . 1 . . . . 33 PRO HA . 19688 1 315 . 2 2 9 9 PRO HB2 H 1 1.319 0.020 . 1 . . . . 33 PRO HB2 . 19688 1 316 . 2 2 9 9 PRO HB3 H 1 2.030 0.020 . 1 . . . . 33 PRO HB3 . 19688 1 317 . 2 2 9 9 PRO HG2 H 1 1.947 0.020 . 2 . . . . 33 PRO HG# . 19688 1 318 . 2 2 9 9 PRO HG3 H 1 1.947 0.020 . 2 . . . . 33 PRO HG# . 19688 1 319 . 2 2 9 9 PRO HD2 H 1 3.663 0.020 . 1 . . . . 33 PRO HD2 . 19688 1 320 . 2 2 9 9 PRO HD3 H 1 3.775 0.020 . 1 . . . . 33 PRO HD3 . 19688 1 321 . 2 2 9 9 PRO C C 13 175.732 0.300 . 1 . . . . 33 PRO C . 19688 1 322 . 2 2 9 9 PRO CA C 13 63.010 0.300 . 1 . . . . 33 PRO CA . 19688 1 323 . 2 2 9 9 PRO CB C 13 32.367 0.300 . 1 . . . . 33 PRO CB . 19688 1 324 . 2 2 9 9 PRO CG C 13 27.459 0.300 . 1 . . . . 33 PRO CG . 19688 1 325 . 2 2 9 9 PRO CD C 13 50.604 0.300 . 1 . . . . 33 PRO CD . 19688 1 326 . 2 2 10 10 GLU H H 1 7.594 0.020 . 1 . . . . 34 GLU H . 19688 1 327 . 2 2 10 10 GLU HA H 1 4.273 0.020 . 1 . . . . 34 GLU HA . 19688 1 328 . 2 2 10 10 GLU HB2 H 1 1.712 0.020 . 1 . . . . 34 GLU HB2 . 19688 1 329 . 2 2 10 10 GLU HB3 H 1 1.798 0.020 . 1 . . . . 34 GLU HB3 . 19688 1 330 . 2 2 10 10 GLU HG2 H 1 1.992 0.020 . 1 . . . . 34 GLU HG2 . 19688 1 331 . 2 2 10 10 GLU HG3 H 1 2.142 0.020 . 1 . . . . 34 GLU HG3 . 19688 1 332 . 2 2 10 10 GLU C C 13 174.621 0.300 . 1 . . . . 34 GLU C . 19688 1 333 . 2 2 10 10 GLU CA C 13 55.652 0.300 . 1 . . . . 34 GLU CA . 19688 1 334 . 2 2 10 10 GLU CB C 13 31.374 0.300 . 1 . . . . 34 GLU CB . 19688 1 335 . 2 2 10 10 GLU CG C 13 35.849 0.300 . 1 . . . . 34 GLU CG . 19688 1 336 . 2 2 10 10 GLU N N 15 121.480 0.300 . 1 . . . . 34 GLU N . 19688 1 337 . 2 2 11 11 TYR H H 1 8.333 0.020 . 1 . . . . 35 TYR H . 19688 1 338 . 2 2 11 11 TYR HA H 1 5.421 0.020 . 1 . . . . 35 TYR HA . 19688 1 339 . 2 2 11 11 TYR HB2 H 1 2.666 0.020 . 2 . . . . 35 TYR HB . 19688 1 340 . 2 2 11 11 TYR HB3 H 1 2.666 0.020 . 2 . . . . 35 TYR HB . 19688 1 341 . 2 2 11 11 TYR HD1 H 1 6.949 0.020 . 3 . . . . 35 TYR HD# . 19688 1 342 . 2 2 11 11 TYR HD2 H 1 6.949 0.020 . 3 . . . . 35 TYR HD# . 19688 1 343 . 2 2 11 11 TYR HE1 H 1 6.747 0.020 . 3 . . . . 35 TYR HE# . 19688 1 344 . 2 2 11 11 TYR HE2 H 1 6.747 0.020 . 3 . . . . 35 TYR HE# . 19688 1 345 . 2 2 11 11 TYR C C 13 176.026 0.300 . 1 . . . . 35 TYR C . 19688 1 346 . 2 2 11 11 TYR CA C 13 57.145 0.300 . 1 . . . . 35 TYR CA . 19688 1 347 . 2 2 11 11 TYR CB C 13 40.534 0.300 . 1 . . . . 35 TYR CB . 19688 1 348 . 2 2 11 11 TYR CD1 C 13 133.002 0.300 . 1 . . . . 35 TYR CD1 . 19688 1 349 . 2 2 11 11 TYR CE1 C 13 117.860 0.300 . 1 . . . . 35 TYR CE1 . 19688 1 350 . 2 2 11 11 TYR N N 15 119.945 0.300 . 1 . . . . 35 TYR N . 19688 1 351 . 2 2 12 12 GLU H H 1 9.129 0.020 . 1 . . . . 36 GLU H . 19688 1 352 . 2 2 12 12 GLU HA H 1 4.689 0.020 . 1 . . . . 36 GLU HA . 19688 1 353 . 2 2 12 12 GLU HB2 H 1 1.886 0.020 . 1 . . . . 36 GLU HB2 . 19688 1 354 . 2 2 12 12 GLU HB3 H 1 2.060 0.020 . 1 . . . . 36 GLU HB3 . 19688 1 355 . 2 2 12 12 GLU HG2 H 1 2.155 0.020 . 1 . . . . 36 GLU HG2 . 19688 1 356 . 2 2 12 12 GLU HG3 H 1 2.229 0.020 . 1 . . . . 36 GLU HG3 . 19688 1 357 . 2 2 12 12 GLU C C 13 174.750 0.300 . 1 . . . . 36 GLU C . 19688 1 358 . 2 2 12 12 GLU CA C 13 55.545 0.300 . 1 . . . . 36 GLU CA . 19688 1 359 . 2 2 12 12 GLU CB C 13 32.579 0.300 . 1 . . . . 36 GLU CB . 19688 1 360 . 2 2 12 12 GLU CG C 13 36.342 0.300 . 1 . . . . 36 GLU CG . 19688 1 361 . 2 2 12 12 GLU N N 15 124.200 0.300 . 1 . . . . 36 GLU N . 19688 1 362 . 2 2 13 13 VAL H H 1 8.703 0.020 . 1 . . . . 37 VAL H . 19688 1 363 . 2 2 13 13 VAL HA H 1 4.951 0.020 . 1 . . . . 37 VAL HA . 19688 1 364 . 2 2 13 13 VAL HB H 1 1.980 0.020 . 1 . . . . 37 VAL HB . 19688 1 365 . 2 2 13 13 VAL HG11 H 1 0.764 0.020 . 2 . . . . 37 VAL HG1 . 19688 1 366 . 2 2 13 13 VAL HG12 H 1 0.764 0.020 . 2 . . . . 37 VAL HG1 . 19688 1 367 . 2 2 13 13 VAL HG13 H 1 0.764 0.020 . 2 . . . . 37 VAL HG1 . 19688 1 368 . 2 2 13 13 VAL HG21 H 1 0.861 0.020 . 2 . . . . 37 VAL HG2 . 19688 1 369 . 2 2 13 13 VAL HG22 H 1 0.861 0.020 . 2 . . . . 37 VAL HG2 . 19688 1 370 . 2 2 13 13 VAL HG23 H 1 0.861 0.020 . 2 . . . . 37 VAL HG2 . 19688 1 371 . 2 2 13 13 VAL C C 13 175.944 0.300 . 1 . . . . 37 VAL C . 19688 1 372 . 2 2 13 13 VAL CA C 13 61.465 0.300 . 1 . . . . 37 VAL CA . 19688 1 373 . 2 2 13 13 VAL CB C 13 33.270 0.300 . 1 . . . . 37 VAL CB . 19688 1 374 . 2 2 13 13 VAL CG1 C 13 21.326 0.300 . 1 . . . . 37 VAL CG1 . 19688 1 375 . 2 2 13 13 VAL CG2 C 13 21.117 0.300 . 1 . . . . 37 VAL CG2 . 19688 1 376 . 2 2 13 13 VAL N N 15 126.739 0.300 . 1 . . . . 37 VAL N . 19688 1 377 . 2 2 14 14 LYS H H 1 9.088 0.020 . 1 . . . . 38 LYS H . 19688 1 378 . 2 2 14 14 LYS HA H 1 4.935 0.020 . 1 . . . . 38 LYS HA . 19688 1 379 . 2 2 14 14 LYS HB2 H 1 1.671 0.020 . 1 . . . . 38 LYS HB2 . 19688 1 380 . 2 2 14 14 LYS HB3 H 1 1.932 0.020 . 1 . . . . 38 LYS HB3 . 19688 1 381 . 2 2 14 14 LYS HG2 H 1 1.416 0.020 . 2 . . . . 38 LYS HG# . 19688 1 382 . 2 2 14 14 LYS HG3 H 1 1.416 0.020 . 2 . . . . 38 LYS HG# . 19688 1 383 . 2 2 14 14 LYS HD2 H 1 1.586 0.020 . 1 . . . . 38 LYS HD2 . 19688 1 384 . 2 2 14 14 LYS HD3 H 1 1.706 0.020 . 1 . . . . 38 LYS HD3 . 19688 1 385 . 2 2 14 14 LYS HE2 H 1 2.896 0.020 . 2 . . . . 38 LYS HE# . 19688 1 386 . 2 2 14 14 LYS HE3 H 1 2.896 0.020 . 2 . . . . 38 LYS HE# . 19688 1 387 . 2 2 14 14 LYS C C 13 175.651 0.300 . 1 . . . . 38 LYS C . 19688 1 388 . 2 2 14 14 LYS CA C 13 55.065 0.300 . 1 . . . . 38 LYS CA . 19688 1 389 . 2 2 14 14 LYS CB C 13 36.314 0.300 . 1 . . . . 38 LYS CB . 19688 1 390 . 2 2 14 14 LYS CG C 13 25.103 0.300 . 1 . . . . 38 LYS CG . 19688 1 391 . 2 2 14 14 LYS CD C 13 29.130 0.300 . 1 . . . . 38 LYS CD . 19688 1 392 . 2 2 14 14 LYS CE C 13 42.206 0.300 . 1 . . . . 38 LYS CE . 19688 1 393 . 2 2 14 14 LYS N N 15 127.242 0.300 . 1 . . . . 38 LYS N . 19688 1 394 . 2 2 15 15 MET H H 1 8.994 0.020 . 1 . . . . 39 MET H . 19688 1 395 . 2 2 15 15 MET HA H 1 5.478 0.020 . 1 . . . . 39 MET HA . 19688 1 396 . 2 2 15 15 MET HB2 H 1 1.830 0.020 . 1 . . . . 39 MET HB2 . 19688 1 397 . 2 2 15 15 MET HB3 H 1 2.019 0.020 . 1 . . . . 39 MET HB3 . 19688 1 398 . 2 2 15 15 MET HG2 H 1 2.409 0.020 . 1 . . . . 39 MET HG2 . 19688 1 399 . 2 2 15 15 MET HG3 H 1 2.507 0.020 . 1 . . . . 39 MET HG3 . 19688 1 400 . 2 2 15 15 MET HE1 H 1 2.031 0.020 . 1 . . . . 39 MET HE# . 19688 1 401 . 2 2 15 15 MET HE2 H 1 2.031 0.020 . 1 . . . . 39 MET HE# . 19688 1 402 . 2 2 15 15 MET HE3 H 1 2.031 0.020 . 1 . . . . 39 MET HE# . 19688 1 403 . 2 2 15 15 MET C C 13 174.785 0.300 . 1 . . . . 39 MET C . 19688 1 404 . 2 2 15 15 MET CA C 13 55.024 0.300 . 1 . . . . 39 MET CA . 19688 1 405 . 2 2 15 15 MET CB C 13 36.314 0.300 . 1 . . . . 39 MET CB . 19688 1 406 . 2 2 15 15 MET CG C 13 33.162 0.300 . 1 . . . . 39 MET CG . 19688 1 407 . 2 2 15 15 MET CE C 13 17.655 0.300 . 1 . . . . 39 MET CE . 19688 1 408 . 2 2 15 15 MET N N 15 121.849 0.300 . 1 . . . . 39 MET N . 19688 1 409 . 2 2 16 16 LYS H H 1 8.904 0.020 . 1 . . . . 40 LYS H . 19688 1 410 . 2 2 16 16 LYS HA H 1 4.528 0.020 . 1 . . . . 40 LYS HA . 19688 1 411 . 2 2 16 16 LYS HB2 H 1 1.617 0.020 . 1 . . . . 40 LYS HB2 . 19688 1 412 . 2 2 16 16 LYS HB3 H 1 1.750 0.020 . 1 . . . . 40 LYS HB3 . 19688 1 413 . 2 2 16 16 LYS HG2 H 1 1.157 0.020 . 1 . . . . 40 LYS HG2 . 19688 1 414 . 2 2 16 16 LYS HG3 H 1 0.702 0.020 . 1 . . . . 40 LYS HG3 . 19688 1 415 . 2 2 16 16 LYS HD2 H 1 1.441 0.020 . 1 . . . . 40 LYS HD2 . 19688 1 416 . 2 2 16 16 LYS HD3 H 1 1.610 0.020 . 1 . . . . 40 LYS HD3 . 19688 1 417 . 2 2 16 16 LYS HE2 H 1 2.472 0.020 . 1 . . . . 40 LYS HE2 . 19688 1 418 . 2 2 16 16 LYS HE3 H 1 2.695 0.020 . 1 . . . . 40 LYS HE3 . 19688 1 419 . 2 2 16 16 LYS C C 13 173.919 0.300 . 1 . . . . 40 LYS C . 19688 1 420 . 2 2 16 16 LYS CA C 13 56.345 0.300 . 1 . . . . 40 LYS CA . 19688 1 421 . 2 2 16 16 LYS CB C 13 36.660 0.300 . 1 . . . . 40 LYS CB . 19688 1 422 . 2 2 16 16 LYS CG C 13 25.214 0.300 . 1 . . . . 40 LYS CG . 19688 1 423 . 2 2 16 16 LYS CD C 13 30.070 0.300 . 1 . . . . 40 LYS CD . 19688 1 424 . 2 2 16 16 LYS CE C 13 42.092 0.300 . 1 . . . . 40 LYS CE . 19688 1 425 . 2 2 16 16 LYS N N 15 124.758 0.300 . 1 . . . . 40 LYS N . 19688 1 426 . 2 2 17 17 ARG H H 1 8.541 0.020 . 1 . . . . 41 ARG H . 19688 1 427 . 2 2 17 17 ARG HA H 1 5.287 0.020 . 1 . . . . 41 ARG HA . 19688 1 428 . 2 2 17 17 ARG HB2 H 1 1.705 0.020 . 1 . . . . 41 ARG HB2 . 19688 1 429 . 2 2 17 17 ARG HB3 H 1 1.961 0.020 . 1 . . . . 41 ARG HB3 . 19688 1 430 . 2 2 17 17 ARG HG2 H 1 1.606 0.020 . 2 . . . . 41 ARG HG# . 19688 1 431 . 2 2 17 17 ARG HG3 H 1 1.606 0.020 . 2 . . . . 41 ARG HG# . 19688 1 432 . 2 2 17 17 ARG HD2 H 1 3.269 0.020 . 2 . . . . 41 ARG HD# . 19688 1 433 . 2 2 17 17 ARG HD3 H 1 3.269 0.020 . 2 . . . . 41 ARG HD# . 19688 1 434 . 2 2 17 17 ARG C C 13 175.944 0.300 . 1 . . . . 41 ARG C . 19688 1 435 . 2 2 17 17 ARG CA C 13 54.319 0.300 . 1 . . . . 41 ARG CA . 19688 1 436 . 2 2 17 17 ARG CB C 13 31.403 0.300 . 1 . . . . 41 ARG CB . 19688 1 437 . 2 2 17 17 ARG CG C 13 27.864 0.300 . 1 . . . . 41 ARG CG . 19688 1 438 . 2 2 17 17 ARG CD C 13 43.074 0.300 . 1 . . . . 41 ARG CD . 19688 1 439 . 2 2 17 17 ARG N N 15 125.422 0.300 . 1 . . . . 41 ARG N . 19688 1 440 . 2 2 18 18 PHE H H 1 8.390 0.020 . 1 . . . . 42 PHE H . 19688 1 441 . 2 2 18 18 PHE HA H 1 4.699 0.020 . 1 . . . . 42 PHE HA . 19688 1 442 . 2 2 18 18 PHE HB2 H 1 2.841 0.020 . 1 . . . . 42 PHE HB2 . 19688 1 443 . 2 2 18 18 PHE HB3 H 1 2.914 0.020 . 1 . . . . 42 PHE HB3 . 19688 1 444 . 2 2 18 18 PHE HD1 H 1 7.318 0.020 . 1 . . . . 42 PHE HD# . 19688 1 445 . 2 2 18 18 PHE HD2 H 1 7.318 0.020 . 1 . . . . 42 PHE HD# . 19688 1 446 . 2 2 18 18 PHE HE1 H 1 7.477 0.020 . 1 . . . . 42 PHE HE# . 19688 1 447 . 2 2 18 18 PHE HE2 H 1 7.477 0.020 . 1 . . . . 42 PHE HE# . 19688 1 448 . 2 2 18 18 PHE C C 13 175.698 0.300 . 1 . . . . 42 PHE C . 19688 1 449 . 2 2 18 18 PHE CA C 13 57.571 0.300 . 1 . . . . 42 PHE CA . 19688 1 450 . 2 2 18 18 PHE CB C 13 43.785 0.300 . 1 . . . . 42 PHE CB . 19688 1 451 . 2 2 18 18 PHE CD1 C 13 131.693 0.300 . 1 . . . . 42 PHE CD1 . 19688 1 452 . 2 2 18 18 PHE CE1 C 13 131.944 0.300 . 1 . . . . 42 PHE CE1 . 19688 1 453 . 2 2 18 18 PHE N N 15 118.973 0.300 . 1 . . . . 42 PHE N . 19688 1 454 . 2 2 19 19 LYS H H 1 8.917 0.020 . 1 . . . . 43 LYS H . 19688 1 455 . 2 2 19 19 LYS HA H 1 4.714 0.020 . 1 . . . . 43 LYS HA . 19688 1 456 . 2 2 19 19 LYS HB2 H 1 1.726 0.020 . 1 . . . . 43 LYS HB2 . 19688 1 457 . 2 2 19 19 LYS HB3 H 1 1.857 0.020 . 1 . . . . 43 LYS HB3 . 19688 1 458 . 2 2 19 19 LYS HG2 H 1 1.438 0.020 . 2 . . . . 43 LYS HG# . 19688 1 459 . 2 2 19 19 LYS HG3 H 1 1.438 0.020 . 2 . . . . 43 LYS HG# . 19688 1 460 . 2 2 19 19 LYS HD2 H 1 1.719 0.020 . 2 . . . . 43 LYS HD# . 19688 1 461 . 2 2 19 19 LYS HD3 H 1 1.719 0.020 . 2 . . . . 43 LYS HD# . 19688 1 462 . 2 2 19 19 LYS HE2 H 1 3.012 0.020 . 2 . . . . 43 LYS HE# . 19688 1 463 . 2 2 19 19 LYS HE3 H 1 3.012 0.020 . 2 . . . . 43 LYS HE# . 19688 1 464 . 2 2 19 19 LYS CA C 13 55.518 0.300 . 1 . . . . 43 LYS CA . 19688 1 465 . 2 2 19 19 LYS CB C 13 34.516 0.300 . 1 . . . . 43 LYS CB . 19688 1 466 . 2 2 19 19 LYS CG C 13 24.694 0.300 . 1 . . . . 43 LYS CG . 19688 1 467 . 2 2 19 19 LYS CD C 13 29.382 0.300 . 1 . . . . 43 LYS CD . 19688 1 468 . 2 2 19 19 LYS CE C 13 42.274 0.300 . 1 . . . . 43 LYS CE . 19688 1 469 . 2 2 19 19 LYS N N 15 122.923 0.300 . 1 . . . . 43 LYS N . 19688 1 470 . 2 2 20 20 GLY H H 1 8.640 0.020 . 1 . . . . 44 GLY H . 19688 1 471 . 2 2 20 20 GLY HA2 H 1 3.909 0.020 . 2 . . . . 44 GLY HA . 19688 1 472 . 2 2 20 20 GLY HA3 H 1 3.909 0.020 . 2 . . . . 44 GLY HA . 19688 1 473 . 2 2 20 20 GLY C C 13 173.386 0.300 . 1 . . . . 44 GLY C . 19688 1 474 . 2 2 20 20 GLY CA C 13 46.161 0.300 . 1 . . . . 44 GLY CA . 19688 1 475 . 2 2 20 20 GLY N N 15 111.215 0.300 . 1 . . . . 44 GLY N . 19688 1 476 . 2 2 21 21 ALA H H 1 8.298 0.020 . 1 . . . . 45 ALA H . 19688 1 477 . 2 2 21 21 ALA HA H 1 4.544 0.020 . 1 . . . . 45 ALA HA . 19688 1 478 . 2 2 21 21 ALA HB1 H 1 0.984 0.020 . 1 . . . . 45 ALA HB . 19688 1 479 . 2 2 21 21 ALA HB2 H 1 0.984 0.020 . 1 . . . . 45 ALA HB . 19688 1 480 . 2 2 21 21 ALA HB3 H 1 0.984 0.020 . 1 . . . . 45 ALA HB . 19688 1 481 . 2 2 21 21 ALA C C 13 176.788 0.300 . 1 . . . . 45 ALA C . 19688 1 482 . 2 2 21 21 ALA CA C 13 50.373 0.300 . 1 . . . . 45 ALA CA . 19688 1 483 . 2 2 21 21 ALA CB C 13 20.611 0.300 . 1 . . . . 45 ALA CB . 19688 1 484 . 2 2 21 21 ALA N N 15 122.907 0.300 . 1 . . . . 45 ALA N . 19688 1 485 . 2 2 22 22 ALA H H 1 8.210 0.020 . 1 . . . . 46 ALA H . 19688 1 486 . 2 2 22 22 ALA HA H 1 4.035 0.020 . 1 . . . . 46 ALA HA . 19688 1 487 . 2 2 22 22 ALA HB1 H 1 1.219 0.020 . 1 . . . . 46 ALA HB . 19688 1 488 . 2 2 22 22 ALA HB2 H 1 1.219 0.020 . 1 . . . . 46 ALA HB . 19688 1 489 . 2 2 22 22 ALA HB3 H 1 1.219 0.020 . 1 . . . . 46 ALA HB . 19688 1 490 . 2 2 22 22 ALA C C 13 175.955 0.300 . 1 . . . . 46 ALA C . 19688 1 491 . 2 2 22 22 ALA CA C 13 53.626 0.300 . 1 . . . . 46 ALA CA . 19688 1 492 . 2 2 22 22 ALA CB C 13 18.560 0.300 . 1 . . . . 46 ALA CB . 19688 1 493 . 2 2 22 22 ALA N N 15 120.692 0.300 . 1 . . . . 46 ALA N . 19688 1 494 . 2 2 23 23 TYR H H 1 6.261 0.020 . 1 . . . . 47 TYR H . 19688 1 495 . 2 2 23 23 TYR HA H 1 4.956 0.020 . 1 . . . . 47 TYR HA . 19688 1 496 . 2 2 23 23 TYR HB2 H 1 2.893 0.020 . 1 . . . . 47 TYR HB2 . 19688 1 497 . 2 2 23 23 TYR HB3 H 1 3.217 0.020 . 1 . . . . 47 TYR HB3 . 19688 1 498 . 2 2 23 23 TYR HD1 H 1 6.612 0.020 . 1 . . . . 47 TYR HD# . 19688 1 499 . 2 2 23 23 TYR HD2 H 1 6.612 0.020 . 1 . . . . 47 TYR HD# . 19688 1 500 . 2 2 23 23 TYR HE1 H 1 5.739 0.020 . 1 . . . . 47 TYR HE# . 19688 1 501 . 2 2 23 23 TYR HE2 H 1 5.739 0.020 . 1 . . . . 47 TYR HE# . 19688 1 502 . 2 2 23 23 TYR C C 13 174.360 0.300 . 1 . . . . 47 TYR C . 19688 1 503 . 2 2 23 23 TYR CA C 13 53.066 0.300 . 1 . . . . 47 TYR CA . 19688 1 504 . 2 2 23 23 TYR CB C 13 39.081 0.300 . 1 . . . . 47 TYR CB . 19688 1 505 . 2 2 23 23 TYR CD1 C 13 134.219 0.300 . 1 . . . . 47 TYR CD1 . 19688 1 506 . 2 2 23 23 TYR CE1 C 13 119.026 0.300 . 1 . . . . 47 TYR CE1 . 19688 1 507 . 2 2 23 23 TYR N N 15 112.697 0.300 . 1 . . . . 47 TYR N . 19688 1 508 . 2 2 24 24 LYS H H 1 10.799 0.020 . 1 . . . . 48 LYS H . 19688 1 509 . 2 2 24 24 LYS HA H 1 4.854 0.020 . 1 . . . . 48 LYS HA . 19688 1 510 . 2 2 24 24 LYS HB2 H 1 1.886 0.020 . 1 . . . . 48 LYS HB2 . 19688 1 511 . 2 2 24 24 LYS HB3 H 1 2.054 0.020 . 1 . . . . 48 LYS HB3 . 19688 1 512 . 2 2 24 24 LYS HG2 H 1 1.687 0.020 . 2 . . . . 48 LYS HG# . 19688 1 513 . 2 2 24 24 LYS HG3 H 1 1.687 0.020 . 2 . . . . 48 LYS HG# . 19688 1 514 . 2 2 24 24 LYS HD2 H 1 1.823 0.020 . 2 . . . . 48 LYS HD# . 19688 1 515 . 2 2 24 24 LYS HD3 H 1 1.823 0.020 . 2 . . . . 48 LYS HD# . 19688 1 516 . 2 2 24 24 LYS HE2 H 1 3.105 0.020 . 2 . . . . 48 LYS HE# . 19688 1 517 . 2 2 24 24 LYS HE3 H 1 3.105 0.020 . 2 . . . . 48 LYS HE# . 19688 1 518 . 2 2 24 24 LYS C C 13 177.351 0.300 . 1 . . . . 48 LYS C . 19688 1 519 . 2 2 24 24 LYS CA C 13 57.065 0.300 . 1 . . . . 48 LYS CA . 19688 1 520 . 2 2 24 24 LYS CB C 13 34.931 0.300 . 1 . . . . 48 LYS CB . 19688 1 521 . 2 2 24 24 LYS CG C 13 25.419 0.300 . 1 . . . . 48 LYS CG . 19688 1 522 . 2 2 24 24 LYS CD C 13 29.171 0.300 . 1 . . . . 48 LYS CD . 19688 1 523 . 2 2 24 24 LYS CE C 13 42.515 0.300 . 1 . . . . 48 LYS CE . 19688 1 524 . 2 2 24 24 LYS N N 15 121.093 0.300 . 1 . . . . 48 LYS N . 19688 1 525 . 2 2 25 25 LEU H H 1 9.238 0.020 . 1 . . . . 49 LEU H . 19688 1 526 . 2 2 25 25 LEU HA H 1 5.440 0.020 . 1 . . . . 49 LEU HA . 19688 1 527 . 2 2 25 25 LEU HB2 H 1 1.348 0.020 . 1 . . . . 49 LEU HB2 . 19688 1 528 . 2 2 25 25 LEU HB3 H 1 1.859 0.020 . 1 . . . . 49 LEU HB3 . 19688 1 529 . 2 2 25 25 LEU HG H 1 1.449 0.020 . 1 . . . . 49 LEU HG . 19688 1 530 . 2 2 25 25 LEU HD11 H 1 0.829 0.020 . 2 . . . . 49 LEU HD1 . 19688 1 531 . 2 2 25 25 LEU HD12 H 1 0.829 0.020 . 2 . . . . 49 LEU HD1 . 19688 1 532 . 2 2 25 25 LEU HD13 H 1 0.829 0.020 . 2 . . . . 49 LEU HD1 . 19688 1 533 . 2 2 25 25 LEU HD21 H 1 0.931 0.020 . 2 . . . . 49 LEU HD2 . 19688 1 534 . 2 2 25 25 LEU HD22 H 1 0.931 0.020 . 2 . . . . 49 LEU HD2 . 19688 1 535 . 2 2 25 25 LEU HD23 H 1 0.931 0.020 . 2 . . . . 49 LEU HD2 . 19688 1 536 . 2 2 25 25 LEU C C 13 173.222 0.300 . 1 . . . . 49 LEU C . 19688 1 537 . 2 2 25 25 LEU CA C 13 54.159 0.300 . 1 . . . . 49 LEU CA . 19688 1 538 . 2 2 25 25 LEU CB C 13 47.382 0.300 . 1 . . . . 49 LEU CB . 19688 1 539 . 2 2 25 25 LEU CG C 13 27.062 0.300 . 1 . . . . 49 LEU CG . 19688 1 540 . 2 2 25 25 LEU CD1 C 13 26.737 0.300 . 1 . . . . 49 LEU CD1 . 19688 1 541 . 2 2 25 25 LEU CD2 C 13 23.935 0.300 . 1 . . . . 49 LEU CD2 . 19688 1 542 . 2 2 25 25 LEU N N 15 124.300 0.300 . 1 . . . . 49 LEU N . 19688 1 543 . 2 2 26 26 ARG H H 1 9.325 0.020 . 1 . . . . 50 ARG H . 19688 1 544 . 2 2 26 26 ARG HA H 1 5.456 0.020 . 1 . . . . 50 ARG HA . 19688 1 545 . 2 2 26 26 ARG HB2 H 1 1.572 0.020 . 1 . . . . 50 ARG HB2 . 19688 1 546 . 2 2 26 26 ARG HB3 H 1 2.155 0.020 . 1 . . . . 50 ARG HB3 . 19688 1 547 . 2 2 26 26 ARG HG2 H 1 0.849 0.020 . 1 . . . . 50 ARG HG2 . 19688 1 548 . 2 2 26 26 ARG HG3 H 1 1.012 0.020 . 1 . . . . 50 ARG HG3 . 19688 1 549 . 2 2 26 26 ARG HD2 H 1 3.168 0.020 . 1 . . . . 50 ARG HD2 . 19688 1 550 . 2 2 26 26 ARG HD3 H 1 3.362 0.020 . 1 . . . . 50 ARG HD3 . 19688 1 551 . 2 2 26 26 ARG C C 13 175.416 0.300 . 1 . . . . 50 ARG C . 19688 1 552 . 2 2 26 26 ARG CA C 13 53.215 0.300 . 1 . . . . 50 ARG CA . 19688 1 553 . 2 2 26 26 ARG CB C 13 35.616 0.300 . 1 . . . . 50 ARG CB . 19688 1 554 . 2 2 26 26 ARG CG C 13 25.660 0.300 . 1 . . . . 50 ARG CG . 19688 1 555 . 2 2 26 26 ARG CD C 13 44.448 0.300 . 1 . . . . 50 ARG CD . 19688 1 556 . 2 2 26 26 ARG N N 15 124.973 0.300 . 1 . . . . 50 ARG N . 19688 1 557 . 2 2 27 27 ILE H H 1 9.753 0.020 . 1 . . . . 51 ILE H . 19688 1 558 . 2 2 27 27 ILE HA H 1 4.787 0.020 . 1 . . . . 51 ILE HA . 19688 1 559 . 2 2 27 27 ILE HB H 1 1.578 0.020 . 1 . . . . 51 ILE HB . 19688 1 560 . 2 2 27 27 ILE HG12 H 1 0.833 0.020 . 1 . . . . 51 ILE HG12 . 19688 1 561 . 2 2 27 27 ILE HG13 H 1 1.448 0.020 . 1 . . . . 51 ILE HG13 . 19688 1 562 . 2 2 27 27 ILE HG21 H 1 0.688 0.020 . 1 . . . . 51 ILE HG2 . 19688 1 563 . 2 2 27 27 ILE HG22 H 1 0.688 0.020 . 1 . . . . 51 ILE HG2 . 19688 1 564 . 2 2 27 27 ILE HG23 H 1 0.688 0.020 . 1 . . . . 51 ILE HG2 . 19688 1 565 . 2 2 27 27 ILE HD11 H 1 0.662 0.020 . 1 . . . . 51 ILE HD1 . 19688 1 566 . 2 2 27 27 ILE HD12 H 1 0.662 0.020 . 1 . . . . 51 ILE HD1 . 19688 1 567 . 2 2 27 27 ILE HD13 H 1 0.662 0.020 . 1 . . . . 51 ILE HD1 . 19688 1 568 . 2 2 27 27 ILE C C 13 173.210 0.300 . 1 . . . . 51 ILE C . 19688 1 569 . 2 2 27 27 ILE CA C 13 59.944 0.300 . 1 . . . . 51 ILE CA . 19688 1 570 . 2 2 27 27 ILE CB C 13 40.257 0.300 . 1 . . . . 51 ILE CB . 19688 1 571 . 2 2 27 27 ILE CG1 C 13 27.291 0.300 . 1 . . . . 51 ILE CG1 . 19688 1 572 . 2 2 27 27 ILE CG2 C 13 18.225 0.300 . 1 . . . . 51 ILE CG2 . 19688 1 573 . 2 2 27 27 ILE CD1 C 13 14.505 0.300 . 1 . . . . 51 ILE CD1 . 19688 1 574 . 2 2 27 27 ILE N N 15 128.927 0.300 . 1 . . . . 51 ILE N . 19688 1 575 . 2 2 28 28 LEU H H 1 9.008 0.020 . 1 . . . . 52 LEU H . 19688 1 576 . 2 2 28 28 LEU HA H 1 4.957 0.020 . 1 . . . . 52 LEU HA . 19688 1 577 . 2 2 28 28 LEU HB2 H 1 1.335 0.020 . 2 . . . . 52 LEU HB . 19688 1 578 . 2 2 28 28 LEU HB3 H 1 1.335 0.020 . 2 . . . . 52 LEU HB . 19688 1 579 . 2 2 28 28 LEU HG H 1 1.271 0.020 . 1 . . . . 52 LEU HG . 19688 1 580 . 2 2 28 28 LEU HD11 H 1 0.575 0.020 . 2 . . . . 52 LEU HD1 . 19688 1 581 . 2 2 28 28 LEU HD12 H 1 0.575 0.020 . 2 . . . . 52 LEU HD1 . 19688 1 582 . 2 2 28 28 LEU HD13 H 1 0.575 0.020 . 2 . . . . 52 LEU HD1 . 19688 1 583 . 2 2 28 28 LEU HD21 H 1 0.606 0.020 . 2 . . . . 52 LEU HD2 . 19688 1 584 . 2 2 28 28 LEU HD22 H 1 0.606 0.020 . 2 . . . . 52 LEU HD2 . 19688 1 585 . 2 2 28 28 LEU HD23 H 1 0.606 0.020 . 2 . . . . 52 LEU HD2 . 19688 1 586 . 2 2 28 28 LEU C C 13 175.955 0.300 . 1 . . . . 52 LEU C . 19688 1 587 . 2 2 28 28 LEU CA C 13 53.519 0.300 . 1 . . . . 52 LEU CA . 19688 1 588 . 2 2 28 28 LEU CB C 13 45.100 0.300 . 1 . . . . 52 LEU CB . 19688 1 589 . 2 2 28 28 LEU CG C 13 27.262 0.300 . 1 . . . . 52 LEU CG . 19688 1 590 . 2 2 28 28 LEU CD1 C 13 25.084 0.300 . 1 . . . . 52 LEU CD1 . 19688 1 591 . 2 2 28 28 LEU CD2 C 13 25.876 0.300 . 1 . . . . 52 LEU CD2 . 19688 1 592 . 2 2 28 28 LEU N N 15 129.135 0.300 . 1 . . . . 52 LEU N . 19688 1 593 . 2 2 29 29 ILE H H 1 8.788 0.020 . 1 . . . . 53 ILE H . 19688 1 594 . 2 2 29 29 ILE HA H 1 4.924 0.020 . 1 . . . . 53 ILE HA . 19688 1 595 . 2 2 29 29 ILE HB H 1 1.617 0.020 . 1 . . . . 53 ILE HB . 19688 1 596 . 2 2 29 29 ILE HG12 H 1 0.868 0.020 . 1 . . . . 53 ILE HG12 . 19688 1 597 . 2 2 29 29 ILE HG13 H 1 1.308 0.020 . 1 . . . . 53 ILE HG13 . 19688 1 598 . 2 2 29 29 ILE HG21 H 1 0.528 0.020 . 1 . . . . 53 ILE HG2 . 19688 1 599 . 2 2 29 29 ILE HG22 H 1 0.528 0.020 . 1 . . . . 53 ILE HG2 . 19688 1 600 . 2 2 29 29 ILE HG23 H 1 0.528 0.020 . 1 . . . . 53 ILE HG2 . 19688 1 601 . 2 2 29 29 ILE HD11 H 1 0.522 0.020 . 1 . . . . 53 ILE HD1 . 19688 1 602 . 2 2 29 29 ILE HD12 H 1 0.522 0.020 . 1 . . . . 53 ILE HD1 . 19688 1 603 . 2 2 29 29 ILE HD13 H 1 0.522 0.020 . 1 . . . . 53 ILE HD1 . 19688 1 604 . 2 2 29 29 ILE C C 13 174.383 0.300 . 1 . . . . 53 ILE C . 19688 1 605 . 2 2 29 29 ILE CA C 13 59.944 0.300 . 1 . . . . 53 ILE CA . 19688 1 606 . 2 2 29 29 ILE CB C 13 39.704 0.300 . 1 . . . . 53 ILE CB . 19688 1 607 . 2 2 29 29 ILE CG1 C 13 27.473 0.300 . 1 . . . . 53 ILE CG1 . 19688 1 608 . 2 2 29 29 ILE CG2 C 13 18.189 0.300 . 1 . . . . 53 ILE CG2 . 19688 1 609 . 2 2 29 29 ILE CD1 C 13 15.367 0.300 . 1 . . . . 53 ILE CD1 . 19688 1 610 . 2 2 29 29 ILE N N 15 123.418 0.300 . 1 . . . . 53 ILE N . 19688 1 611 . 2 2 30 30 GLU H H 1 8.930 0.020 . 1 . . . . 54 GLU H . 19688 1 612 . 2 2 30 30 GLU HA H 1 5.107 0.020 . 1 . . . . 54 GLU HA . 19688 1 613 . 2 2 30 30 GLU HB2 H 1 1.890 0.020 . 1 . . . . 54 GLU HB2 . 19688 1 614 . 2 2 30 30 GLU HB3 H 1 1.969 0.020 . 1 . . . . 54 GLU HB3 . 19688 1 615 . 2 2 30 30 GLU HG2 H 1 2.175 0.020 . 2 . . . . 54 GLU HG# . 19688 1 616 . 2 2 30 30 GLU HG3 H 1 2.175 0.020 . 2 . . . . 54 GLU HG# . 19688 1 617 . 2 2 30 30 GLU C C 13 175.791 0.300 . 1 . . . . 54 GLU C . 19688 1 618 . 2 2 30 30 GLU CA C 13 54.428 0.300 . 1 . . . . 54 GLU CA . 19688 1 619 . 2 2 30 30 GLU CB C 13 33.478 0.300 . 1 . . . . 54 GLU CB . 19688 1 620 . 2 2 30 30 GLU CG C 13 35.909 0.300 . 1 . . . . 54 GLU CG . 19688 1 621 . 2 2 30 30 GLU N N 15 127.214 0.300 . 1 . . . . 54 GLU N . 19688 1 622 . 2 2 31 31 ASN H H 1 8.652 0.020 . 1 . . . . 55 ASN H . 19688 1 623 . 2 2 31 31 ASN HA H 1 4.952 0.020 . 1 . . . . 55 ASN HA . 19688 1 624 . 2 2 31 31 ASN HB2 H 1 2.868 0.020 . 1 . . . . 55 ASN HB2 . 19688 1 625 . 2 2 31 31 ASN HB3 H 1 3.229 0.020 . 1 . . . . 55 ASN HB3 . 19688 1 626 . 2 2 31 31 ASN HD21 H 1 6.726 0.020 . 1 . . . . 55 ASN HD21 . 19688 1 627 . 2 2 31 31 ASN HD22 H 1 8.196 0.020 . 1 . . . . 55 ASN HD22 . 19688 1 628 . 2 2 31 31 ASN C C 13 175.897 0.300 . 1 . . . . 55 ASN C . 19688 1 629 . 2 2 31 31 ASN CA C 13 52.559 0.300 . 1 . . . . 55 ASN CA . 19688 1 630 . 2 2 31 31 ASN CB C 13 38.804 0.300 . 1 . . . . 55 ASN CB . 19688 1 631 . 2 2 31 31 ASN CG C 13 175.868 0.300 . 1 . . . . 55 ASN CG . 19688 1 632 . 2 2 31 31 ASN N N 15 123.147 0.300 . 1 . . . . 55 ASN N . 19688 1 633 . 2 2 31 31 ASN ND2 N 15 112.356 0.300 . 1 . . . . 55 ASN ND2 . 19688 1 634 . 2 2 32 32 LYS H H 1 8.953 0.020 . 1 . . . . 56 LYS H . 19688 1 635 . 2 2 32 32 LYS HA H 1 4.320 0.020 . 1 . . . . 56 LYS HA . 19688 1 636 . 2 2 32 32 LYS HB2 H 1 1.617 0.020 . 1 . . . . 56 LYS HB2 . 19688 1 637 . 2 2 32 32 LYS HB3 H 1 2.007 0.020 . 1 . . . . 56 LYS HB3 . 19688 1 638 . 2 2 32 32 LYS HG2 H 1 1.460 0.020 . 2 . . . . 56 LYS HG# . 19688 1 639 . 2 2 32 32 LYS HG3 H 1 1.460 0.020 . 2 . . . . 56 LYS HG# . 19688 1 640 . 2 2 32 32 LYS HD2 H 1 1.587 0.020 . 2 . . . . 56 LYS HD# . 19688 1 641 . 2 2 32 32 LYS HD3 H 1 1.587 0.020 . 2 . . . . 56 LYS HD# . 19688 1 642 . 2 2 32 32 LYS HE2 H 1 2.853 0.020 . 1 . . . . 56 LYS HE2 . 19688 1 643 . 2 2 32 32 LYS HE3 H 1 2.943 0.020 . 1 . . . . 56 LYS HE3 . 19688 1 644 . 2 2 32 32 LYS C C 13 176.084 0.300 . 1 . . . . 56 LYS C . 19688 1 645 . 2 2 32 32 LYS CA C 13 55.065 0.300 . 1 . . . . 56 LYS CA . 19688 1 646 . 2 2 32 32 LYS CB C 13 31.679 0.300 . 1 . . . . 56 LYS CB . 19688 1 647 . 2 2 32 32 LYS CG C 13 24.094 0.300 . 1 . . . . 56 LYS CG . 19688 1 648 . 2 2 32 32 LYS CD C 13 28.016 0.300 . 1 . . . . 56 LYS CD . 19688 1 649 . 2 2 32 32 LYS CE C 13 41.780 0.300 . 1 . . . . 56 LYS CE . 19688 1 650 . 2 2 32 32 LYS N N 15 125.009 0.300 . 1 . . . . 56 LYS N . 19688 1 651 . 2 2 33 33 ALA H H 1 8.248 0.020 . 1 . . . . 57 ALA H . 19688 1 652 . 2 2 33 33 ALA HA H 1 4.776 0.020 . 1 . . . . 57 ALA HA . 19688 1 653 . 2 2 33 33 ALA HB1 H 1 1.366 0.020 . 1 . . . . 57 ALA HB . 19688 1 654 . 2 2 33 33 ALA HB2 H 1 1.366 0.020 . 1 . . . . 57 ALA HB . 19688 1 655 . 2 2 33 33 ALA HB3 H 1 1.366 0.020 . 1 . . . . 57 ALA HB . 19688 1 656 . 2 2 33 33 ALA C C 13 175.768 0.300 . 1 . . . . 57 ALA C . 19688 1 657 . 2 2 33 33 ALA CA C 13 49.840 0.300 . 1 . . . . 57 ALA CA . 19688 1 658 . 2 2 33 33 ALA CB C 13 19.074 0.300 . 1 . . . . 57 ALA CB . 19688 1 659 . 2 2 33 33 ALA N N 15 125.261 0.300 . 1 . . . . 57 ALA N . 19688 1 660 . 2 2 34 34 PRO HA H 1 4.311 0.020 . 1 . . . . 58 PRO HA . 19688 1 661 . 2 2 34 34 PRO HB2 H 1 1.955 0.020 . 1 . . . . 58 PRO HB2 . 19688 1 662 . 2 2 34 34 PRO HB3 H 1 2.252 0.020 . 1 . . . . 58 PRO HB3 . 19688 1 663 . 2 2 34 34 PRO HG2 H 1 1.999 0.020 . 1 . . . . 58 PRO HG2 . 19688 1 664 . 2 2 34 34 PRO HG3 H 1 2.183 0.020 . 1 . . . . 58 PRO HG3 . 19688 1 665 . 2 2 34 34 PRO HD2 H 1 3.753 0.020 . 1 . . . . 58 PRO HD2 . 19688 1 666 . 2 2 34 34 PRO HD3 H 1 3.855 0.020 . 1 . . . . 58 PRO HD3 . 19688 1 667 . 2 2 34 34 PRO C C 13 177.082 0.300 . 1 . . . . 58 PRO C . 19688 1 668 . 2 2 34 34 PRO CA C 13 64.156 0.300 . 1 . . . . 58 PRO CA . 19688 1 669 . 2 2 34 34 PRO CB C 13 31.547 0.300 . 1 . . . . 58 PRO CB . 19688 1 670 . 2 2 34 34 PRO CG C 13 27.237 0.300 . 1 . . . . 58 PRO CG . 19688 1 671 . 2 2 34 34 PRO CD C 13 50.913 0.300 . 1 . . . . 58 PRO CD . 19688 1 672 . 2 2 35 35 ASN H H 1 8.592 0.020 . 1 . . . . 59 ASN H . 19688 1 673 . 2 2 35 35 ASN HA H 1 4.794 0.020 . 1 . . . . 59 ASN HA . 19688 1 674 . 2 2 35 35 ASN HB2 H 1 2.716 0.020 . 1 . . . . 59 ASN HB2 . 19688 1 675 . 2 2 35 35 ASN HB3 H 1 2.895 0.020 . 1 . . . . 59 ASN HB3 . 19688 1 676 . 2 2 35 35 ASN HD21 H 1 6.903 0.020 . 1 . . . . 59 ASN HD21 . 19688 1 677 . 2 2 35 35 ASN HD22 H 1 7.648 0.020 . 1 . . . . 59 ASN HD22 . 19688 1 678 . 2 2 35 35 ASN C C 13 175.040 0.300 . 1 . . . . 59 ASN C . 19688 1 679 . 2 2 35 35 ASN CA C 13 52.799 0.300 . 1 . . . . 59 ASN CA . 19688 1 680 . 2 2 35 35 ASN CB C 13 38.459 0.300 . 1 . . . . 59 ASN CB . 19688 1 681 . 2 2 35 35 ASN CG C 13 177.497 0.300 . 1 . . . . 59 ASN CG . 19688 1 682 . 2 2 35 35 ASN N N 15 116.600 0.300 . 1 . . . . 59 ASN N . 19688 1 683 . 2 2 35 35 ASN ND2 N 15 113.619 0.300 . 1 . . . . 59 ASN ND2 . 19688 1 684 . 2 2 36 36 SER H H 1 7.875 0.020 . 1 . . . . 60 SER H . 19688 1 685 . 2 2 36 36 SER HA H 1 4.325 0.020 . 1 . . . . 60 SER HA . 19688 1 686 . 2 2 36 36 SER HB2 H 1 3.771 0.020 . 1 . . . . 60 SER HB2 . 19688 1 687 . 2 2 36 36 SER HB3 H 1 3.869 0.020 . 1 . . . . 60 SER HB3 . 19688 1 688 . 2 2 36 36 SER C C 13 174.911 0.300 . 1 . . . . 60 SER C . 19688 1 689 . 2 2 36 36 SER CA C 13 58.398 0.300 . 1 . . . . 60 SER CA . 19688 1 690 . 2 2 36 36 SER CB C 13 64.261 0.300 . 1 . . . . 60 SER CB . 19688 1 691 . 2 2 36 36 SER N N 15 114.534 0.300 . 1 . . . . 60 SER N . 19688 1 692 . 2 2 37 37 LYS H H 1 8.372 0.020 . 1 . . . . 61 LYS H . 19688 1 693 . 2 2 37 37 LYS HA H 1 4.472 0.020 . 1 . . . . 61 LYS HA . 19688 1 694 . 2 2 37 37 LYS HB2 H 1 1.702 0.020 . 1 . . . . 61 LYS HB2 . 19688 1 695 . 2 2 37 37 LYS HB3 H 1 1.792 0.020 . 1 . . . . 61 LYS HB3 . 19688 1 696 . 2 2 37 37 LYS HG2 H 1 1.477 0.020 . 2 . . . . 61 LYS HG# . 19688 1 697 . 2 2 37 37 LYS HG3 H 1 1.477 0.020 . 2 . . . . 61 LYS HG# . 19688 1 698 . 2 2 37 37 LYS HE2 H 1 2.988 0.020 . 2 . . . . 61 LYS HE# . 19688 1 699 . 2 2 37 37 LYS HE3 H 1 2.988 0.020 . 2 . . . . 61 LYS HE# . 19688 1 700 . 2 2 37 37 LYS C C 13 174.090 0.300 . 1 . . . . 61 LYS C . 19688 1 701 . 2 2 37 37 LYS CA C 13 54.932 0.300 . 1 . . . . 61 LYS CA . 19688 1 702 . 2 2 37 37 LYS CB C 13 31.472 0.300 . 1 . . . . 61 LYS CB . 19688 1 703 . 2 2 37 37 LYS CG C 13 24.482 0.300 . 1 . . . . 61 LYS CG . 19688 1 704 . 2 2 37 37 LYS CD C 13 29.017 0.300 . 1 . . . . 61 LYS CD . 19688 1 705 . 2 2 37 37 LYS CE C 13 41.899 0.300 . 1 . . . . 61 LYS CE . 19688 1 706 . 2 2 37 37 LYS N N 15 123.357 0.300 . 1 . . . . 61 LYS N . 19688 1 707 . 2 2 38 38 PRO HA H 1 4.280 0.020 . 1 . . . . 62 PRO HA . 19688 1 708 . 2 2 38 38 PRO HB2 H 1 2.294 0.020 . 2 . . . . 62 PRO HB . 19688 1 709 . 2 2 38 38 PRO HB3 H 1 2.294 0.020 . 2 . . . . 62 PRO HB . 19688 1 710 . 2 2 38 38 PRO HG2 H 1 2.070 0.020 . 2 . . . . 62 PRO HG# . 19688 1 711 . 2 2 38 38 PRO HG3 H 1 2.070 0.020 . 2 . . . . 62 PRO HG# . 19688 1 712 . 2 2 38 38 PRO HD2 H 1 3.563 0.020 . 2 . . . . 62 PRO HD# . 19688 1 713 . 2 2 38 38 PRO HD3 H 1 3.563 0.020 . 2 . . . . 62 PRO HD# . 19688 1 714 . 2 2 38 38 PRO C C 13 176.706 0.300 . 1 . . . . 62 PRO C . 19688 1 715 . 2 2 38 38 PRO CA C 13 63.442 0.300 . 1 . . . . 62 PRO CA . 19688 1 716 . 2 2 38 38 PRO CB C 13 31.893 0.300 . 1 . . . . 62 PRO CB . 19688 1 717 . 2 2 38 38 PRO CG C 13 27.463 0.300 . 1 . . . . 62 PRO CG . 19688 1 718 . 2 2 38 38 PRO CD C 13 50.550 0.300 . 1 . . . . 62 PRO CD . 19688 1 719 . 2 2 39 39 ASP H H 1 8.351 0.020 . 1 . . . . 63 ASP H . 19688 1 720 . 2 2 39 39 ASP HA H 1 4.280 0.020 . 1 . . . . 63 ASP HA . 19688 1 721 . 2 2 39 39 ASP HB2 H 1 1.599 0.020 . 1 . . . . 63 ASP HB2 . 19688 1 722 . 2 2 39 39 ASP HB3 H 1 2.059 0.020 . 1 . . . . 63 ASP HB3 . 19688 1 723 . 2 2 39 39 ASP C C 13 175.510 0.300 . 1 . . . . 63 ASP C . 19688 1 724 . 2 2 39 39 ASP CA C 13 54.885 0.300 . 1 . . . . 63 ASP CA . 19688 1 725 . 2 2 39 39 ASP CB C 13 43.004 0.300 . 1 . . . . 63 ASP CB . 19688 1 726 . 2 2 39 39 ASP N N 15 122.238 0.300 . 1 . . . . 63 ASP N . 19688 1 727 . 2 2 40 40 ARG H H 1 8.212 0.020 . 1 . . . . 64 ARG H . 19688 1 728 . 2 2 40 40 ARG HA H 1 4.285 0.020 . 1 . . . . 64 ARG HA . 19688 1 729 . 2 2 40 40 ARG HB2 H 1 1.709 0.020 . 2 . . . . 64 ARG HB . 19688 1 730 . 2 2 40 40 ARG HB3 H 1 1.709 0.020 . 2 . . . . 64 ARG HB . 19688 1 731 . 2 2 40 40 ARG HG2 H 1 1.477 0.020 . 1 . . . . 64 ARG HG2 . 19688 1 732 . 2 2 40 40 ARG HG3 H 1 1.552 0.020 . 1 . . . . 64 ARG HG3 . 19688 1 733 . 2 2 40 40 ARG HD2 H 1 3.161 0.020 . 2 . . . . 64 ARG HD# . 19688 1 734 . 2 2 40 40 ARG HD3 H 1 3.161 0.020 . 2 . . . . 64 ARG HD# . 19688 1 735 . 2 2 40 40 ARG C C 13 174.829 0.300 . 1 . . . . 64 ARG C . 19688 1 736 . 2 2 40 40 ARG CA C 13 54.905 0.300 . 1 . . . . 64 ARG CA . 19688 1 737 . 2 2 40 40 ARG CB C 13 30.988 0.300 . 1 . . . . 64 ARG CB . 19688 1 738 . 2 2 40 40 ARG CG C 13 26.577 0.300 . 1 . . . . 64 ARG CG . 19688 1 739 . 2 2 40 40 ARG CD C 13 43.062 0.300 . 1 . . . . 64 ARG CD . 19688 1 740 . 2 2 40 40 ARG N N 15 120.805 0.300 . 1 . . . . 64 ARG N . 19688 1 741 . 2 2 41 41 PHE H H 1 8.696 0.020 . 1 . . . . 65 PHE H . 19688 1 742 . 2 2 41 41 PHE HA H 1 4.876 0.020 . 1 . . . . 65 PHE HA . 19688 1 743 . 2 2 41 41 PHE HB2 H 1 2.747 0.020 . 1 . . . . 65 PHE HB2 . 19688 1 744 . 2 2 41 41 PHE HB3 H 1 2.807 0.020 . 1 . . . . 65 PHE HB3 . 19688 1 745 . 2 2 41 41 PHE HD1 H 1 6.737 0.020 . 1 . . . . 65 PHE HD# . 19688 1 746 . 2 2 41 41 PHE HD2 H 1 6.737 0.020 . 1 . . . . 65 PHE HD# . 19688 1 747 . 2 2 41 41 PHE HE1 H 1 6.602 0.020 . 1 . . . . 65 PHE HE# . 19688 1 748 . 2 2 41 41 PHE HE2 H 1 6.602 0.020 . 1 . . . . 65 PHE HE# . 19688 1 749 . 2 2 41 41 PHE C C 13 175.275 0.300 . 1 . . . . 65 PHE C . 19688 1 750 . 2 2 41 41 PHE CA C 13 56.318 0.300 . 1 . . . . 65 PHE CA . 19688 1 751 . 2 2 41 41 PHE CB C 13 41.018 0.300 . 1 . . . . 65 PHE CB . 19688 1 752 . 2 2 41 41 PHE CD1 C 13 131.247 0.300 . 1 . . . . 65 PHE CD1 . 19688 1 753 . 2 2 41 41 PHE CE1 C 13 131.523 0.300 . 1 . . . . 65 PHE CE1 . 19688 1 754 . 2 2 41 41 PHE N N 15 122.141 0.300 . 1 . . . . 65 PHE N . 19688 1 755 . 2 2 42 42 SER H H 1 8.879 0.020 . 1 . . . . 66 SER H . 19688 1 756 . 2 2 42 42 SER HA H 1 4.874 0.020 . 1 . . . . 66 SER HA . 19688 1 757 . 2 2 42 42 SER HB2 H 1 3.779 0.020 . 1 . . . . 66 SER HB2 . 19688 1 758 . 2 2 42 42 SER HB3 H 1 3.949 0.020 . 1 . . . . 66 SER HB3 . 19688 1 759 . 2 2 42 42 SER C C 13 181.939 0.300 . 1 . . . . 66 SER C . 19688 1 760 . 2 2 42 42 SER CA C 13 54.742 0.300 . 1 . . . . 66 SER CA . 19688 1 761 . 2 2 42 42 SER CB C 13 63.254 0.300 . 1 . . . . 66 SER CB . 19688 1 762 . 2 2 42 42 SER N N 15 116.891 0.300 . 1 . . . . 66 SER N . 19688 1 763 . 2 2 43 43 PRO HA H 1 5.279 0.020 . 1 . . . . 67 PRO HA . 19688 1 764 . 2 2 43 43 PRO HB2 H 1 1.871 0.020 . 1 . . . . 67 PRO HB2 . 19688 1 765 . 2 2 43 43 PRO HB3 H 1 2.076 0.020 . 1 . . . . 67 PRO HB3 . 19688 1 766 . 2 2 43 43 PRO HG2 H 1 1.520 0.020 . 2 . . . . 67 PRO HG# . 19688 1 767 . 2 2 43 43 PRO HG3 H 1 1.520 0.020 . 2 . . . . 67 PRO HG# . 19688 1 768 . 2 2 43 43 PRO HD2 H 1 3.474 0.020 . 1 . . . . 67 PRO HD2 . 19688 1 769 . 2 2 43 43 PRO HD3 H 1 3.792 0.020 . 1 . . . . 67 PRO HD3 . 19688 1 770 . 2 2 43 43 PRO C C 13 176.800 0.300 . 1 . . . . 67 PRO C . 19688 1 771 . 2 2 43 43 PRO CA C 13 62.406 0.300 . 1 . . . . 67 PRO CA . 19688 1 772 . 2 2 43 43 PRO CB C 13 32.930 0.300 . 1 . . . . 67 PRO CB . 19688 1 773 . 2 2 43 43 PRO CG C 13 28.137 0.300 . 1 . . . . 67 PRO CG . 19688 1 774 . 2 2 43 43 PRO CD C 13 50.248 0.300 . 1 . . . . 67 PRO CD . 19688 1 775 . 2 2 44 44 SER H H 1 9.261 0.020 . 1 . . . . 68 SER H . 19688 1 776 . 2 2 44 44 SER HA H 1 5.267 0.020 . 1 . . . . 68 SER HA . 19688 1 777 . 2 2 44 44 SER HB2 H 1 3.562 0.020 . 1 . . . . 68 SER HB2 . 19688 1 778 . 2 2 44 44 SER HB3 H 1 3.779 0.020 . 1 . . . . 68 SER HB3 . 19688 1 779 . 2 2 44 44 SER C C 13 172.260 0.300 . 1 . . . . 68 SER C . 19688 1 780 . 2 2 44 44 SER CA C 13 57.385 0.300 . 1 . . . . 68 SER CA . 19688 1 781 . 2 2 44 44 SER CB C 13 65.666 0.300 . 1 . . . . 68 SER CB . 19688 1 782 . 2 2 44 44 SER N N 15 115.569 0.300 . 1 . . . . 68 SER N . 19688 1 783 . 2 2 45 45 TYR H H 1 9.221 0.020 . 1 . . . . 69 TYR H . 19688 1 784 . 2 2 45 45 TYR HA H 1 5.335 0.020 . 1 . . . . 69 TYR HA . 19688 1 785 . 2 2 45 45 TYR HB2 H 1 2.612 0.020 . 1 . . . . 69 TYR HB2 . 19688 1 786 . 2 2 45 45 TYR HB3 H 1 2.733 0.020 . 1 . . . . 69 TYR HB3 . 19688 1 787 . 2 2 45 45 TYR HD1 H 1 6.531 0.020 . 1 . . . . 69 TYR HD# . 19688 1 788 . 2 2 45 45 TYR HD2 H 1 6.531 0.020 . 1 . . . . 69 TYR HD# . 19688 1 789 . 2 2 45 45 TYR HE1 H 1 6.504 0.020 . 1 . . . . 69 TYR HE# . 19688 1 790 . 2 2 45 45 TYR HE2 H 1 6.504 0.020 . 1 . . . . 69 TYR HE# . 19688 1 791 . 2 2 45 45 TYR C C 13 173.234 0.300 . 1 . . . . 69 TYR C . 19688 1 792 . 2 2 45 45 TYR CA C 13 56.185 0.300 . 1 . . . . 69 TYR CA . 19688 1 793 . 2 2 45 45 TYR CB C 13 41.710 0.300 . 1 . . . . 69 TYR CB . 19688 1 794 . 2 2 45 45 TYR CD1 C 13 131.970 0.300 . 1 . . . . 69 TYR CD1 . 19688 1 795 . 2 2 45 45 TYR CE1 C 13 117.815 0.300 . 1 . . . . 69 TYR CE1 . 19688 1 796 . 2 2 45 45 TYR N N 15 122.280 0.300 . 1 . . . . 69 TYR N . 19688 1 797 . 2 2 46 46 ASN H H 1 8.078 0.020 . 1 . . . . 70 ASN H . 19688 1 798 . 2 2 46 46 ASN HA H 1 4.875 0.020 . 1 . . . . 70 ASN HA . 19688 1 799 . 2 2 46 46 ASN HB2 H 1 2.640 0.020 . 1 . . . . 70 ASN HB2 . 19688 1 800 . 2 2 46 46 ASN HB3 H 1 2.834 0.020 . 1 . . . . 70 ASN HB3 . 19688 1 801 . 2 2 46 46 ASN HD21 H 1 6.881 0.020 . 1 . . . . 70 ASN HD21 . 19688 1 802 . 2 2 46 46 ASN HD22 H 1 7.444 0.020 . 1 . . . . 70 ASN HD22 . 19688 1 803 . 2 2 46 46 ASN C C 13 174.430 0.300 . 1 . . . . 70 ASN C . 19688 1 804 . 2 2 46 46 ASN CA C 13 51.706 0.300 . 1 . . . . 70 ASN CA . 19688 1 805 . 2 2 46 46 ASN CB C 13 39.496 0.300 . 1 . . . . 70 ASN CB . 19688 1 806 . 2 2 46 46 ASN CG C 13 175.781 0.300 . 1 . . . . 70 ASN CG . 19688 1 807 . 2 2 46 46 ASN N N 15 127.676 0.300 . 1 . . . . 70 ASN N . 19688 1 808 . 2 2 46 46 ASN ND2 N 15 112.425 0.300 . 1 . . . . 70 ASN ND2 . 19688 1 809 . 2 2 47 47 PHE H H 1 7.960 0.020 . 1 . . . . 71 PHE H . 19688 1 810 . 2 2 47 47 PHE HA H 1 4.019 0.020 . 1 . . . . 71 PHE HA . 19688 1 811 . 2 2 47 47 PHE HB2 H 1 3.069 0.020 . 1 . . . . 71 PHE HB2 . 19688 1 812 . 2 2 47 47 PHE HB3 H 1 3.217 0.020 . 1 . . . . 71 PHE HB3 . 19688 1 813 . 2 2 47 47 PHE HD1 H 1 7.388 0.020 . 1 . . . . 71 PHE HD# . 19688 1 814 . 2 2 47 47 PHE HD2 H 1 7.388 0.020 . 1 . . . . 71 PHE HD# . 19688 1 815 . 2 2 47 47 PHE HE1 H 1 7.390 0.020 . 1 . . . . 71 PHE HE# . 19688 1 816 . 2 2 47 47 PHE HE2 H 1 7.390 0.020 . 1 . . . . 71 PHE HE# . 19688 1 817 . 2 2 47 47 PHE C C 13 176.941 0.300 . 1 . . . . 71 PHE C . 19688 1 818 . 2 2 47 47 PHE CA C 13 59.757 0.300 . 1 . . . . 71 PHE CA . 19688 1 819 . 2 2 47 47 PHE CB C 13 39.427 0.300 . 1 . . . . 71 PHE CB . 19688 1 820 . 2 2 47 47 PHE CD1 C 13 132.377 0.300 . 1 . . . . 71 PHE CD1 . 19688 1 821 . 2 2 47 47 PHE CE1 C 13 131.736 0.300 . 1 . . . . 71 PHE CE1 . 19688 1 822 . 2 2 47 47 PHE N N 15 123.918 0.300 . 1 . . . . 71 PHE N . 19688 1 823 . 2 2 48 48 ALA H H 1 8.124 0.020 . 1 . . . . 72 ALA H . 19688 1 824 . 2 2 48 48 ALA HA H 1 4.054 0.020 . 1 . . . . 72 ALA HA . 19688 1 825 . 2 2 48 48 ALA HB1 H 1 1.402 0.020 . 1 . . . . 72 ALA HB . 19688 1 826 . 2 2 48 48 ALA HB2 H 1 1.402 0.020 . 1 . . . . 72 ALA HB . 19688 1 827 . 2 2 48 48 ALA HB3 H 1 1.402 0.020 . 1 . . . . 72 ALA HB . 19688 1 828 . 2 2 48 48 ALA C C 13 179.709 0.300 . 1 . . . . 72 ALA C . 19688 1 829 . 2 2 48 48 ALA CA C 13 54.905 0.300 . 1 . . . . 72 ALA CA . 19688 1 830 . 2 2 48 48 ALA CB C 13 18.473 0.300 . 1 . . . . 72 ALA CB . 19688 1 831 . 2 2 48 48 ALA N N 15 122.848 0.300 . 1 . . . . 72 ALA N . 19688 1 832 . 2 2 49 49 GLU H H 1 7.548 0.020 . 1 . . . . 73 GLU H . 19688 1 833 . 2 2 49 49 GLU HA H 1 4.241 0.020 . 1 . . . . 73 GLU HA . 19688 1 834 . 2 2 49 49 GLU HB2 H 1 1.431 0.020 . 1 . . . . 73 GLU HB2 . 19688 1 835 . 2 2 49 49 GLU HB3 H 1 2.115 0.020 . 1 . . . . 73 GLU HB3 . 19688 1 836 . 2 2 49 49 GLU HG2 H 1 2.114 0.020 . 2 . . . . 73 GLU HG# . 19688 1 837 . 2 2 49 49 GLU HG3 H 1 2.114 0.020 . 2 . . . . 73 GLU HG# . 19688 1 838 . 2 2 49 49 GLU C C 13 176.037 0.300 . 1 . . . . 73 GLU C . 19688 1 839 . 2 2 49 49 GLU CA C 13 55.545 0.300 . 1 . . . . 73 GLU CA . 19688 1 840 . 2 2 49 49 GLU CB C 13 31.404 0.300 . 1 . . . . 73 GLU CB . 19688 1 841 . 2 2 49 49 GLU CG C 13 36.376 0.300 . 1 . . . . 73 GLU CG . 19688 1 842 . 2 2 49 49 GLU N N 15 113.303 0.300 . 1 . . . . 73 GLU N . 19688 1 843 . 2 2 50 50 ASN H H 1 7.961 0.020 . 1 . . . . 74 ASN H . 19688 1 844 . 2 2 50 50 ASN HA H 1 4.294 0.020 . 1 . . . . 74 ASN HA . 19688 1 845 . 2 2 50 50 ASN HB2 H 1 2.558 0.020 . 1 . . . . 74 ASN HB2 . 19688 1 846 . 2 2 50 50 ASN HB3 H 1 3.406 0.020 . 1 . . . . 74 ASN HB3 . 19688 1 847 . 2 2 50 50 ASN HD21 H 1 6.638 0.020 . 1 . . . . 74 ASN HD21 . 19688 1 848 . 2 2 50 50 ASN HD22 H 1 7.047 0.020 . 1 . . . . 74 ASN HD22 . 19688 1 849 . 2 2 50 50 ASN C C 13 173.480 0.300 . 1 . . . . 74 ASN C . 19688 1 850 . 2 2 50 50 ASN CA C 13 53.706 0.300 . 1 . . . . 74 ASN CA . 19688 1 851 . 2 2 50 50 ASN CB C 13 36.937 0.300 . 1 . . . . 74 ASN CB . 19688 1 852 . 2 2 50 50 ASN CG C 13 177.796 0.300 . 1 . . . . 74 ASN CG . 19688 1 853 . 2 2 50 50 ASN N N 15 119.281 0.300 . 1 . . . . 74 ASN N . 19688 1 854 . 2 2 50 50 ASN ND2 N 15 113.559 0.300 . 1 . . . . 74 ASN ND2 . 19688 1 855 . 2 2 51 51 ILE H H 1 7.088 0.020 . 1 . . . . 75 ILE H . 19688 1 856 . 2 2 51 51 ILE HA H 1 4.468 0.020 . 1 . . . . 75 ILE HA . 19688 1 857 . 2 2 51 51 ILE HB H 1 1.317 0.020 . 1 . . . . 75 ILE HB . 19688 1 858 . 2 2 51 51 ILE HG12 H 1 0.636 0.020 . 1 . . . . 75 ILE HG12 . 19688 1 859 . 2 2 51 51 ILE HG13 H 1 1.447 0.020 . 1 . . . . 75 ILE HG13 . 19688 1 860 . 2 2 51 51 ILE HG21 H 1 0.346 0.020 . 1 . . . . 75 ILE HG2 . 19688 1 861 . 2 2 51 51 ILE HG22 H 1 0.346 0.020 . 1 . . . . 75 ILE HG2 . 19688 1 862 . 2 2 51 51 ILE HG23 H 1 0.346 0.020 . 1 . . . . 75 ILE HG2 . 19688 1 863 . 2 2 51 51 ILE HD11 H 1 0.738 0.020 . 1 . . . . 75 ILE HD1 . 19688 1 864 . 2 2 51 51 ILE HD12 H 1 0.738 0.020 . 1 . . . . 75 ILE HD1 . 19688 1 865 . 2 2 51 51 ILE HD13 H 1 0.738 0.020 . 1 . . . . 75 ILE HD1 . 19688 1 866 . 2 2 51 51 ILE C C 13 173.480 0.300 . 1 . . . . 75 ILE C . 19688 1 867 . 2 2 51 51 ILE CA C 13 59.817 0.300 . 1 . . . . 75 ILE CA . 19688 1 868 . 2 2 51 51 ILE CB C 13 42.818 0.300 . 1 . . . . 75 ILE CB . 19688 1 869 . 2 2 51 51 ILE CG1 C 13 27.498 0.300 . 1 . . . . 75 ILE CG1 . 19688 1 870 . 2 2 51 51 ILE CG2 C 13 17.300 0.300 . 1 . . . . 75 ILE CG2 . 19688 1 871 . 2 2 51 51 ILE CD1 C 13 13.122 0.300 . 1 . . . . 75 ILE CD1 . 19688 1 872 . 2 2 51 51 ILE N N 15 115.853 0.300 . 1 . . . . 75 ILE N . 19688 1 873 . 2 2 52 52 LEU H H 1 8.513 0.020 . 1 . . . . 76 LEU H . 19688 1 874 . 2 2 52 52 LEU HA H 1 5.058 0.020 . 1 . . . . 76 LEU HA . 19688 1 875 . 2 2 52 52 LEU HB2 H 1 1.216 0.020 . 1 . . . . 76 LEU HB2 . 19688 1 876 . 2 2 52 52 LEU HB3 H 1 1.931 0.020 . 1 . . . . 76 LEU HB3 . 19688 1 877 . 2 2 52 52 LEU HG H 1 1.418 0.020 . 1 . . . . 76 LEU HG . 19688 1 878 . 2 2 52 52 LEU HD11 H 1 0.732 0.020 . 2 . . . . 76 LEU HD1 . 19688 1 879 . 2 2 52 52 LEU HD12 H 1 0.732 0.020 . 2 . . . . 76 LEU HD1 . 19688 1 880 . 2 2 52 52 LEU HD13 H 1 0.732 0.020 . 2 . . . . 76 LEU HD1 . 19688 1 881 . 2 2 52 52 LEU HD21 H 1 0.810 0.020 . 2 . . . . 76 LEU HD2 . 19688 1 882 . 2 2 52 52 LEU HD22 H 1 0.810 0.020 . 2 . . . . 76 LEU HD2 . 19688 1 883 . 2 2 52 52 LEU HD23 H 1 0.810 0.020 . 2 . . . . 76 LEU HD2 . 19688 1 884 . 2 2 52 52 LEU C C 13 174.383 0.300 . 1 . . . . 76 LEU C . 19688 1 885 . 2 2 52 52 LEU CA C 13 53.066 0.300 . 1 . . . . 76 LEU CA . 19688 1 886 . 2 2 52 52 LEU CB C 13 44.448 0.300 . 1 . . . . 76 LEU CB . 19688 1 887 . 2 2 52 52 LEU CG C 13 26.971 0.300 . 1 . . . . 76 LEU CG . 19688 1 888 . 2 2 52 52 LEU CD1 C 13 26.736 0.300 . 1 . . . . 76 LEU CD1 . 19688 1 889 . 2 2 52 52 LEU CD2 C 13 24.143 0.300 . 1 . . . . 76 LEU CD2 . 19688 1 890 . 2 2 52 52 LEU N N 15 128.240 0.300 . 1 . . . . 76 LEU N . 19688 1 891 . 2 2 53 53 TYR H H 1 9.413 0.020 . 1 . . . . 77 TYR H . 19688 1 892 . 2 2 53 53 TYR HA H 1 4.573 0.020 . 1 . . . . 77 TYR HA . 19688 1 893 . 2 2 53 53 TYR HB2 H 1 2.908 0.020 . 1 . . . . 77 TYR HB2 . 19688 1 894 . 2 2 53 53 TYR HB3 H 1 3.083 0.020 . 1 . . . . 77 TYR HB3 . 19688 1 895 . 2 2 53 53 TYR HD1 H 1 7.044 0.020 . 1 . . . . 77 TYR HD# . 19688 1 896 . 2 2 53 53 TYR HD2 H 1 7.044 0.020 . 1 . . . . 77 TYR HD# . 19688 1 897 . 2 2 53 53 TYR HE1 H 1 6.642 0.020 . 1 . . . . 77 TYR HE# . 19688 1 898 . 2 2 53 53 TYR HE2 H 1 6.642 0.020 . 1 . . . . 77 TYR HE# . 19688 1 899 . 2 2 53 53 TYR C C 13 175.052 0.300 . 1 . . . . 77 TYR C . 19688 1 900 . 2 2 53 53 TYR CA C 13 58.451 0.300 . 1 . . . . 77 TYR CA . 19688 1 901 . 2 2 53 53 TYR CB C 13 38.874 0.300 . 1 . . . . 77 TYR CB . 19688 1 902 . 2 2 53 53 TYR CD1 C 13 133.645 0.300 . 1 . . . . 77 TYR CD1 . 19688 1 903 . 2 2 53 53 TYR CE1 C 13 117.746 0.300 . 1 . . . . 77 TYR CE1 . 19688 1 904 . 2 2 53 53 TYR N N 15 130.391 0.300 . 1 . . . . 77 TYR N . 19688 1 905 . 2 2 54 54 ILE H H 1 8.320 0.020 . 1 . . . . 78 ILE H . 19688 1 906 . 2 2 54 54 ILE HA H 1 3.998 0.020 . 1 . . . . 78 ILE HA . 19688 1 907 . 2 2 54 54 ILE HB H 1 1.792 0.020 . 1 . . . . 78 ILE HB . 19688 1 908 . 2 2 54 54 ILE HG12 H 1 0.888 0.020 . 1 . . . . 78 ILE HG12 . 19688 1 909 . 2 2 54 54 ILE HG13 H 1 1.279 0.020 . 1 . . . . 78 ILE HG13 . 19688 1 910 . 2 2 54 54 ILE HG21 H 1 0.517 0.020 . 1 . . . . 78 ILE HG2 . 19688 1 911 . 2 2 54 54 ILE HG22 H 1 0.517 0.020 . 1 . . . . 78 ILE HG2 . 19688 1 912 . 2 2 54 54 ILE HG23 H 1 0.517 0.020 . 1 . . . . 78 ILE HG2 . 19688 1 913 . 2 2 54 54 ILE HD11 H 1 0.350 0.020 . 1 . . . . 78 ILE HD1 . 19688 1 914 . 2 2 54 54 ILE HD12 H 1 0.350 0.020 . 1 . . . . 78 ILE HD1 . 19688 1 915 . 2 2 54 54 ILE HD13 H 1 0.350 0.020 . 1 . . . . 78 ILE HD1 . 19688 1 916 . 2 2 54 54 ILE C C 13 174.782 0.300 . 1 . . . . 78 ILE C . 19688 1 917 . 2 2 54 54 ILE CA C 13 60.610 0.300 . 1 . . . . 78 ILE CA . 19688 1 918 . 2 2 54 54 ILE CB C 13 35.992 0.300 . 1 . . . . 78 ILE CB . 19688 1 919 . 2 2 54 54 ILE CG1 C 13 25.753 0.300 . 1 . . . . 78 ILE CG1 . 19688 1 920 . 2 2 54 54 ILE CG2 C 13 17.981 0.300 . 1 . . . . 78 ILE CG2 . 19688 1 921 . 2 2 54 54 ILE CD1 C 13 8.961 0.300 . 1 . . . . 78 ILE CD1 . 19688 1 922 . 2 2 54 54 ILE N N 15 124.110 0.300 . 1 . . . . 78 ILE N . 19688 1 923 . 2 2 55 55 ASN H H 1 8.008 0.020 . 1 . . . . 79 ASN H . 19688 1 924 . 2 2 55 55 ASN HA H 1 4.351 0.020 . 1 . . . . 79 ASN HA . 19688 1 925 . 2 2 55 55 ASN HB2 H 1 3.228 0.020 . 1 . . . . 79 ASN HB2 . 19688 1 926 . 2 2 55 55 ASN HB3 H 1 3.466 0.020 . 1 . . . . 79 ASN HB3 . 19688 1 927 . 2 2 55 55 ASN HD21 H 1 6.352 0.020 . 1 . . . . 79 ASN HD21 . 19688 1 928 . 2 2 55 55 ASN HD22 H 1 7.243 0.020 . 1 . . . . 79 ASN HD22 . 19688 1 929 . 2 2 55 55 ASN C C 13 175.134 0.300 . 1 . . . . 79 ASN C . 19688 1 930 . 2 2 55 55 ASN CA C 13 52.598 0.300 . 1 . . . . 79 ASN CA . 19688 1 931 . 2 2 55 55 ASN CB C 13 37.559 0.300 . 1 . . . . 79 ASN CB . 19688 1 932 . 2 2 55 55 ASN CG C 13 175.768 0.300 . 1 . . . . 79 ASN CG . 19688 1 933 . 2 2 55 55 ASN N N 15 114.344 0.300 . 1 . . . . 79 ASN N . 19688 1 934 . 2 2 55 55 ASN ND2 N 15 108.594 0.300 . 1 . . . . 79 ASN ND2 . 19688 1 935 . 2 2 56 56 GLY HA2 H 1 3.923 0.020 . 2 . . . . 80 GLY HA . 19688 1 936 . 2 2 56 56 GLY HA3 H 1 3.923 0.020 . 2 . . . . 80 GLY HA . 19688 1 937 . 2 2 56 56 GLY C C 13 174.137 0.300 . 1 . . . . 80 GLY C . 19688 1 938 . 2 2 56 56 GLY CA C 13 46.934 0.300 . 1 . . . . 80 GLY CA . 19688 1 939 . 2 2 57 57 LYS H H 1 7.980 0.020 . 1 . . . . 81 LYS H . 19688 1 940 . 2 2 57 57 LYS HA H 1 4.581 0.020 . 1 . . . . 81 LYS HA . 19688 1 941 . 2 2 57 57 LYS HB2 H 1 1.846 0.020 . 1 . . . . 81 LYS HB2 . 19688 1 942 . 2 2 57 57 LYS HB3 H 1 2.063 0.020 . 1 . . . . 81 LYS HB3 . 19688 1 943 . 2 2 57 57 LYS HG2 H 1 1.475 0.020 . 2 . . . . 81 LYS HG# . 19688 1 944 . 2 2 57 57 LYS HG3 H 1 1.475 0.020 . 2 . . . . 81 LYS HG# . 19688 1 945 . 2 2 57 57 LYS HD2 H 1 1.736 0.020 . 2 . . . . 81 LYS HD# . 19688 1 946 . 2 2 57 57 LYS HD3 H 1 1.736 0.020 . 2 . . . . 81 LYS HD# . 19688 1 947 . 2 2 57 57 LYS HE2 H 1 3.011 0.020 . 1 . . . . 81 LYS HE2 . 19688 1 948 . 2 2 57 57 LYS HE3 H 1 3.045 0.020 . 1 . . . . 81 LYS HE3 . 19688 1 949 . 2 2 57 57 LYS C C 13 175.721 0.300 . 1 . . . . 81 LYS C . 19688 1 950 . 2 2 57 57 LYS CA C 13 55.438 0.300 . 1 . . . . 81 LYS CA . 19688 1 951 . 2 2 57 57 LYS CB C 13 34.284 0.300 . 1 . . . . 81 LYS CB . 19688 1 952 . 2 2 57 57 LYS CG C 13 24.780 0.300 . 1 . . . . 81 LYS CG . 19688 1 953 . 2 2 57 57 LYS CD C 13 28.922 0.300 . 1 . . . . 81 LYS CD . 19688 1 954 . 2 2 57 57 LYS CE C 13 42.091 0.300 . 1 . . . . 81 LYS CE . 19688 1 955 . 2 2 57 57 LYS N N 15 117.097 0.300 . 1 . . . . 81 LYS N . 19688 1 956 . 2 2 58 58 LEU H H 1 7.571 0.020 . 1 . . . . 82 LEU H . 19688 1 957 . 2 2 58 58 LEU HA H 1 4.743 0.020 . 1 . . . . 82 LEU HA . 19688 1 958 . 2 2 58 58 LEU HB2 H 1 1.234 0.020 . 2 . . . . 82 LEU HB . 19688 1 959 . 2 2 58 58 LEU HB3 H 1 1.234 0.020 . 2 . . . . 82 LEU HB . 19688 1 960 . 2 2 58 58 LEU HG H 1 0.973 0.020 . 1 . . . . 82 LEU HG . 19688 1 961 . 2 2 58 58 LEU HD11 H 1 0.313 0.020 . 2 . . . . 82 LEU HD1 . 19688 1 962 . 2 2 58 58 LEU HD12 H 1 0.313 0.020 . 2 . . . . 82 LEU HD1 . 19688 1 963 . 2 2 58 58 LEU HD13 H 1 0.313 0.020 . 2 . . . . 82 LEU HD1 . 19688 1 964 . 2 2 58 58 LEU HD21 H 1 0.702 0.020 . 2 . . . . 82 LEU HD2 . 19688 1 965 . 2 2 58 58 LEU HD22 H 1 0.702 0.020 . 2 . . . . 82 LEU HD2 . 19688 1 966 . 2 2 58 58 LEU HD23 H 1 0.702 0.020 . 2 . . . . 82 LEU HD2 . 19688 1 967 . 2 2 58 58 LEU C C 13 173.257 0.300 . 1 . . . . 82 LEU C . 19688 1 968 . 2 2 58 58 LEU CA C 13 55.026 0.300 . 1 . . . . 82 LEU CA . 19688 1 969 . 2 2 58 58 LEU CB C 13 44.269 0.300 . 1 . . . . 82 LEU CB . 19688 1 970 . 2 2 58 58 LEU CG C 13 26.800 0.300 . 1 . . . . 82 LEU CG . 19688 1 971 . 2 2 58 58 LEU CD1 C 13 25.689 0.300 . 1 . . . . 82 LEU CD1 . 19688 1 972 . 2 2 58 58 LEU CD2 C 13 22.869 0.300 . 1 . . . . 82 LEU CD2 . 19688 1 973 . 2 2 58 58 LEU N N 15 122.332 0.300 . 1 . . . . 82 LEU N . 19688 1 974 . 2 2 59 59 SER H H 1 8.553 0.020 . 1 . . . . 83 SER H . 19688 1 975 . 2 2 59 59 SER HA H 1 4.903 0.020 . 1 . . . . 83 SER HA . 19688 1 976 . 2 2 59 59 SER HB2 H 1 3.496 0.020 . 1 . . . . 83 SER HB2 . 19688 1 977 . 2 2 59 59 SER HB3 H 1 3.678 0.020 . 1 . . . . 83 SER HB3 . 19688 1 978 . 2 2 59 59 SER C C 13 172.596 0.300 . 1 . . . . 83 SER C . 19688 1 979 . 2 2 59 59 SER CA C 13 57.571 0.300 . 1 . . . . 83 SER CA . 19688 1 980 . 2 2 59 59 SER CB C 13 66.296 0.300 . 1 . . . . 83 SER CB . 19688 1 981 . 2 2 59 59 SER N N 15 123.187 0.300 . 1 . . . . 83 SER N . 19688 1 982 . 2 2 60 60 ILE H H 1 9.056 0.020 . 1 . . . . 84 ILE H . 19688 1 983 . 2 2 60 60 ILE HA H 1 4.582 0.020 . 1 . . . . 84 ILE HA . 19688 1 984 . 2 2 60 60 ILE HB H 1 1.843 0.020 . 1 . . . . 84 ILE HB . 19688 1 985 . 2 2 60 60 ILE HG12 H 1 1.037 0.020 . 1 . . . . 84 ILE HG12 . 19688 1 986 . 2 2 60 60 ILE HG13 H 1 1.252 0.020 . 1 . . . . 84 ILE HG13 . 19688 1 987 . 2 2 60 60 ILE HG21 H 1 0.739 0.020 . 1 . . . . 84 ILE HG2 . 19688 1 988 . 2 2 60 60 ILE HG22 H 1 0.739 0.020 . 1 . . . . 84 ILE HG2 . 19688 1 989 . 2 2 60 60 ILE HG23 H 1 0.739 0.020 . 1 . . . . 84 ILE HG2 . 19688 1 990 . 2 2 60 60 ILE HD11 H 1 0.648 0.020 . 1 . . . . 84 ILE HD1 . 19688 1 991 . 2 2 60 60 ILE HD12 H 1 0.648 0.020 . 1 . . . . 84 ILE HD1 . 19688 1 992 . 2 2 60 60 ILE HD13 H 1 0.648 0.020 . 1 . . . . 84 ILE HD1 . 19688 1 993 . 2 2 60 60 ILE C C 13 173.205 0.300 . 1 . . . . 84 ILE C . 19688 1 994 . 2 2 60 60 ILE CA C 13 57.771 0.300 . 1 . . . . 84 ILE CA . 19688 1 995 . 2 2 60 60 ILE CB C 13 41.049 0.300 . 1 . . . . 84 ILE CB . 19688 1 996 . 2 2 60 60 ILE CG1 C 13 26.731 0.300 . 1 . . . . 84 ILE CG1 . 19688 1 997 . 2 2 60 60 ILE CG2 C 13 17.097 0.300 . 1 . . . . 84 ILE CG2 . 19688 1 998 . 2 2 60 60 ILE CD1 C 13 14.235 0.300 . 1 . . . . 84 ILE CD1 . 19688 1 999 . 2 2 60 60 ILE N N 15 122.240 0.300 . 1 . . . . 84 ILE N . 19688 1 1000 . 2 2 61 61 PRO HA H 1 4.670 0.020 . 1 . . . . 85 PRO HA . 19688 1 1001 . 2 2 61 61 PRO HB2 H 1 1.929 0.020 . 1 . . . . 85 PRO HB2 . 19688 1 1002 . 2 2 61 61 PRO HB3 H 1 2.279 0.020 . 1 . . . . 85 PRO HB3 . 19688 1 1003 . 2 2 61 61 PRO HG2 H 1 2.180 0.020 . 2 . . . . 85 PRO HG# . 19688 1 1004 . 2 2 61 61 PRO HG3 H 1 2.180 0.020 . 2 . . . . 85 PRO HG# . 19688 1 1005 . 2 2 61 61 PRO HD2 H 1 3.823 0.020 . 2 . . . . 85 PRO HD# . 19688 1 1006 . 2 2 61 61 PRO HD3 H 1 3.823 0.020 . 2 . . . . 85 PRO HD# . 19688 1 1007 . 2 2 61 61 PRO C C 13 176.389 0.300 . 1 . . . . 85 PRO C . 19688 1 1008 . 2 2 61 61 PRO CA C 13 62.348 0.300 . 1 . . . . 85 PRO CA . 19688 1 1009 . 2 2 61 61 PRO CB C 13 31.334 0.300 . 1 . . . . 85 PRO CB . 19688 1 1010 . 2 2 61 61 PRO CG C 13 27.533 0.300 . 1 . . . . 85 PRO CG . 19688 1 1011 . 2 2 61 61 PRO CD C 13 51.335 0.300 . 1 . . . . 85 PRO CD . 19688 1 1012 . 2 2 62 62 LEU H H 1 8.050 0.020 . 1 . . . . 86 LEU H . 19688 1 1013 . 2 2 62 62 LEU HA H 1 4.637 0.020 . 1 . . . . 86 LEU HA . 19688 1 1014 . 2 2 62 62 LEU HB2 H 1 1.183 0.020 . 1 . . . . 86 LEU HB2 . 19688 1 1015 . 2 2 62 62 LEU HB3 H 1 1.849 0.020 . 1 . . . . 86 LEU HB3 . 19688 1 1016 . 2 2 62 62 LEU HG H 1 1.731 0.020 . 1 . . . . 86 LEU HG . 19688 1 1017 . 2 2 62 62 LEU HD11 H 1 0.671 0.020 . 2 . . . . 86 LEU HD1 . 19688 1 1018 . 2 2 62 62 LEU HD12 H 1 0.671 0.020 . 2 . . . . 86 LEU HD1 . 19688 1 1019 . 2 2 62 62 LEU HD13 H 1 0.671 0.020 . 2 . . . . 86 LEU HD1 . 19688 1 1020 . 2 2 62 62 LEU HD21 H 1 0.795 0.020 . 2 . . . . 86 LEU HD2 . 19688 1 1021 . 2 2 62 62 LEU HD22 H 1 0.795 0.020 . 2 . . . . 86 LEU HD2 . 19688 1 1022 . 2 2 62 62 LEU HD23 H 1 0.795 0.020 . 2 . . . . 86 LEU HD2 . 19688 1 1023 . 2 2 62 62 LEU C C 13 174.656 0.300 . 1 . . . . 86 LEU C . 19688 1 1024 . 2 2 62 62 LEU CA C 13 52.383 0.300 . 1 . . . . 86 LEU CA . 19688 1 1025 . 2 2 62 62 LEU CB C 13 40.113 0.300 . 1 . . . . 86 LEU CB . 19688 1 1026 . 2 2 62 62 LEU CG C 13 26.854 0.300 . 1 . . . . 86 LEU CG . 19688 1 1027 . 2 2 62 62 LEU CD1 C 13 23.186 0.300 . 1 . . . . 86 LEU CD1 . 19688 1 1028 . 2 2 62 62 LEU CD2 C 13 26.555 0.300 . 1 . . . . 86 LEU CD2 . 19688 1 1029 . 2 2 62 62 LEU N N 15 124.791 0.300 . 1 . . . . 86 LEU N . 19688 1 1030 . 2 2 63 63 PRO HA H 1 4.477 0.020 . 1 . . . . 87 PRO HA . 19688 1 1031 . 2 2 63 63 PRO HB2 H 1 1.982 0.020 . 1 . . . . 87 PRO HB2 . 19688 1 1032 . 2 2 63 63 PRO HB3 H 1 2.434 0.020 . 1 . . . . 87 PRO HB3 . 19688 1 1033 . 2 2 63 63 PRO HG2 H 1 1.962 0.020 . 1 . . . . 87 PRO HG2 . 19688 1 1034 . 2 2 63 63 PRO HG3 H 1 2.102 0.020 . 1 . . . . 87 PRO HG3 . 19688 1 1035 . 2 2 63 63 PRO HD2 H 1 3.298 0.020 . 1 . . . . 87 PRO HD2 . 19688 1 1036 . 2 2 63 63 PRO HD3 H 1 3.686 0.020 . 1 . . . . 87 PRO HD3 . 19688 1 1037 . 2 2 63 63 PRO C C 13 177.574 0.300 . 1 . . . . 87 PRO C . 19688 1 1038 . 2 2 63 63 PRO CA C 13 62.816 0.300 . 1 . . . . 87 PRO CA . 19688 1 1039 . 2 2 63 63 PRO CB C 13 32.169 0.300 . 1 . . . . 87 PRO CB . 19688 1 1040 . 2 2 63 63 PRO CG C 13 27.835 0.300 . 1 . . . . 87 PRO CG . 19688 1 1041 . 2 2 63 63 PRO CD C 13 50.188 0.300 . 1 . . . . 87 PRO CD . 19688 1 1042 . 2 2 64 64 ARG H H 1 8.640 0.020 . 1 . . . . 88 ARG H . 19688 1 1043 . 2 2 64 64 ARG HA H 1 4.140 0.020 . 1 . . . . 88 ARG HA . 19688 1 1044 . 2 2 64 64 ARG HB2 H 1 1.847 0.020 . 1 . . . . 88 ARG HB2 . 19688 1 1045 . 2 2 64 64 ARG HB3 H 1 1.954 0.020 . 1 . . . . 88 ARG HB3 . 19688 1 1046 . 2 2 64 64 ARG HG2 H 1 1.759 0.020 . 1 . . . . 88 ARG HG2 . 19688 1 1047 . 2 2 64 64 ARG HG3 H 1 1.791 0.020 . 1 . . . . 88 ARG HG3 . 19688 1 1048 . 2 2 64 64 ARG HD2 H 1 3.260 0.020 . 2 . . . . 88 ARG HD# . 19688 1 1049 . 2 2 64 64 ARG HD3 H 1 3.260 0.020 . 2 . . . . 88 ARG HD# . 19688 1 1050 . 2 2 64 64 ARG C C 13 176.295 0.300 . 1 . . . . 88 ARG C . 19688 1 1051 . 2 2 64 64 ARG CA C 13 57.465 0.300 . 1 . . . . 88 ARG CA . 19688 1 1052 . 2 2 64 64 ARG CB C 13 30.157 0.300 . 1 . . . . 88 ARG CB . 19688 1 1053 . 2 2 64 64 ARG CG C 13 27.231 0.300 . 1 . . . . 88 ARG CG . 19688 1 1054 . 2 2 64 64 ARG CD C 13 43.266 0.300 . 1 . . . . 88 ARG CD . 19688 1 1055 . 2 2 64 64 ARG N N 15 119.930 0.300 . 1 . . . . 88 ARG N . 19688 1 1056 . 2 2 65 65 ASP H H 1 8.635 0.020 . 1 . . . . 89 ASP H . 19688 1 1057 . 2 2 65 65 ASP HA H 1 4.507 0.020 . 1 . . . . 89 ASP HA . 19688 1 1058 . 2 2 65 65 ASP HB2 H 1 2.577 0.020 . 1 . . . . 89 ASP HB2 . 19688 1 1059 . 2 2 65 65 ASP HB3 H 1 2.868 0.020 . 1 . . . . 89 ASP HB3 . 19688 1 1060 . 2 2 65 65 ASP C C 13 175.101 0.300 . 1 . . . . 89 ASP C . 19688 1 1061 . 2 2 65 65 ASP CA C 13 53.839 0.300 . 1 . . . . 89 ASP CA . 19688 1 1062 . 2 2 65 65 ASP CB C 13 39.565 0.300 . 1 . . . . 89 ASP CB . 19688 1 1063 . 2 2 65 65 ASP N N 15 114.740 0.300 . 1 . . . . 89 ASP N . 19688 1 1064 . 2 2 66 66 ILE H H 1 7.214 0.020 . 1 . . . . 90 ILE H . 19688 1 1065 . 2 2 66 66 ILE HA H 1 4.270 0.020 . 1 . . . . 90 ILE HA . 19688 1 1066 . 2 2 66 66 ILE HB H 1 1.844 0.020 . 1 . . . . 90 ILE HB . 19688 1 1067 . 2 2 66 66 ILE HG12 H 1 1.185 0.020 . 1 . . . . 90 ILE HG12 . 19688 1 1068 . 2 2 66 66 ILE HG13 H 1 1.367 0.020 . 1 . . . . 90 ILE HG13 . 19688 1 1069 . 2 2 66 66 ILE HG21 H 1 0.787 0.020 . 1 . . . . 90 ILE HG2 . 19688 1 1070 . 2 2 66 66 ILE HG22 H 1 0.787 0.020 . 1 . . . . 90 ILE HG2 . 19688 1 1071 . 2 2 66 66 ILE HG23 H 1 0.787 0.020 . 1 . . . . 90 ILE HG2 . 19688 1 1072 . 2 2 66 66 ILE HD11 H 1 0.762 0.020 . 1 . . . . 90 ILE HD1 . 19688 1 1073 . 2 2 66 66 ILE HD12 H 1 0.762 0.020 . 1 . . . . 90 ILE HD1 . 19688 1 1074 . 2 2 66 66 ILE HD13 H 1 0.762 0.020 . 1 . . . . 90 ILE HD1 . 19688 1 1075 . 2 2 66 66 ILE C C 13 174.340 0.300 . 1 . . . . 90 ILE C . 19688 1 1076 . 2 2 66 66 ILE CA C 13 59.810 0.300 . 1 . . . . 90 ILE CA . 19688 1 1077 . 2 2 66 66 ILE CB C 13 38.832 0.300 . 1 . . . . 90 ILE CB . 19688 1 1078 . 2 2 66 66 ILE CG1 C 13 26.600 0.300 . 1 . . . . 90 ILE CG1 . 19688 1 1079 . 2 2 66 66 ILE CG2 C 13 17.373 0.300 . 1 . . . . 90 ILE CG2 . 19688 1 1080 . 2 2 66 66 ILE CD1 C 13 13.121 0.300 . 1 . . . . 90 ILE CD1 . 19688 1 1081 . 2 2 66 66 ILE N N 15 118.493 0.300 . 1 . . . . 90 ILE N . 19688 1 1082 . 2 2 67 67 VAL H H 1 8.339 0.020 . 1 . . . . 91 VAL H . 19688 1 1083 . 2 2 67 67 VAL HA H 1 4.038 0.020 . 1 . . . . 91 VAL HA . 19688 1 1084 . 2 2 67 67 VAL HB H 1 1.930 0.020 . 1 . . . . 91 VAL HB . 19688 1 1085 . 2 2 67 67 VAL HG11 H 1 0.818 0.020 . 2 . . . . 91 VAL HG1 . 19688 1 1086 . 2 2 67 67 VAL HG12 H 1 0.818 0.020 . 2 . . . . 91 VAL HG1 . 19688 1 1087 . 2 2 67 67 VAL HG13 H 1 0.818 0.020 . 2 . . . . 91 VAL HG1 . 19688 1 1088 . 2 2 67 67 VAL HG21 H 1 0.886 0.020 . 2 . . . . 91 VAL HG2 . 19688 1 1089 . 2 2 67 67 VAL HG22 H 1 0.886 0.020 . 2 . . . . 91 VAL HG2 . 19688 1 1090 . 2 2 67 67 VAL HG23 H 1 0.886 0.020 . 2 . . . . 91 VAL HG2 . 19688 1 1091 . 2 2 67 67 VAL C C 13 175.593 0.300 . 1 . . . . 91 VAL C . 19688 1 1092 . 2 2 67 67 VAL CA C 13 62.396 0.300 . 1 . . . . 91 VAL CA . 19688 1 1093 . 2 2 67 67 VAL CB C 13 31.887 0.300 . 1 . . . . 91 VAL CB . 19688 1 1094 . 2 2 67 67 VAL CG1 C 13 21.037 0.300 . 1 . . . . 91 VAL CG1 . 19688 1 1095 . 2 2 67 67 VAL CG2 C 13 21.064 0.300 . 1 . . . . 91 VAL CG2 . 19688 1 1096 . 2 2 67 67 VAL N N 15 126.767 0.300 . 1 . . . . 91 VAL N . 19688 1 1097 . 2 2 68 68 VAL H H 1 8.545 0.020 . 1 . . . . 92 VAL H . 19688 1 1098 . 2 2 68 68 VAL HA H 1 3.937 0.020 . 1 . . . . 92 VAL HA . 19688 1 1099 . 2 2 68 68 VAL HB H 1 1.864 0.020 . 1 . . . . 92 VAL HB . 19688 1 1100 . 2 2 68 68 VAL HG11 H 1 0.267 0.020 . 2 . . . . 92 VAL HG1 . 19688 1 1101 . 2 2 68 68 VAL HG12 H 1 0.267 0.020 . 2 . . . . 92 VAL HG1 . 19688 1 1102 . 2 2 68 68 VAL HG13 H 1 0.267 0.020 . 2 . . . . 92 VAL HG1 . 19688 1 1103 . 2 2 68 68 VAL HG21 H 1 0.712 0.020 . 2 . . . . 92 VAL HG2 . 19688 1 1104 . 2 2 68 68 VAL HG22 H 1 0.712 0.020 . 2 . . . . 92 VAL HG2 . 19688 1 1105 . 2 2 68 68 VAL HG23 H 1 0.712 0.020 . 2 . . . . 92 VAL HG2 . 19688 1 1106 . 2 2 68 68 VAL C C 13 174.773 0.300 . 1 . . . . 92 VAL C . 19688 1 1107 . 2 2 68 68 VAL CA C 13 62.298 0.300 . 1 . . . . 92 VAL CA . 19688 1 1108 . 2 2 68 68 VAL CB C 13 32.924 0.300 . 1 . . . . 92 VAL CB . 19688 1 1109 . 2 2 68 68 VAL CG1 C 13 20.860 0.300 . 1 . . . . 92 VAL CG1 . 19688 1 1110 . 2 2 68 68 VAL CG2 C 13 21.273 0.300 . 1 . . . . 92 VAL CG2 . 19688 1 1111 . 2 2 68 68 VAL N N 15 128.204 0.300 . 1 . . . . 92 VAL N . 19688 1 1112 . 2 2 69 69 ASN H H 1 8.492 0.020 . 1 . . . . 93 ASN H . 19688 1 1113 . 2 2 69 69 ASN HA H 1 4.984 0.020 . 1 . . . . 93 ASN HA . 19688 1 1114 . 2 2 69 69 ASN HB2 H 1 2.693 0.020 . 1 . . . . 93 ASN HB2 . 19688 1 1115 . 2 2 69 69 ASN HB3 H 1 2.935 0.020 . 1 . . . . 93 ASN HB3 . 19688 1 1116 . 2 2 69 69 ASN HD21 H 1 6.926 0.020 . 1 . . . . 93 ASN HD21 . 19688 1 1117 . 2 2 69 69 ASN HD22 H 1 7.720 0.020 . 1 . . . . 93 ASN HD22 . 19688 1 1118 . 2 2 69 69 ASN C C 13 176.131 0.300 . 1 . . . . 93 ASN C . 19688 1 1119 . 2 2 69 69 ASN CA C 13 51.680 0.300 . 1 . . . . 93 ASN CA . 19688 1 1120 . 2 2 69 69 ASN CB C 13 39.635 0.300 . 1 . . . . 93 ASN CB . 19688 1 1121 . 2 2 69 69 ASN CG C 13 176.863 0.300 . 1 . . . . 93 ASN CG . 19688 1 1122 . 2 2 69 69 ASN N N 15 124.274 0.300 . 1 . . . . 93 ASN N . 19688 1 1123 . 2 2 69 69 ASN ND2 N 15 113.812 0.300 . 1 . . . . 93 ASN ND2 . 19688 1 1124 . 2 2 70 70 ALA H H 1 9.258 0.020 . 1 . . . . 94 ALA H . 19688 1 1125 . 2 2 70 70 ALA HA H 1 3.667 0.020 . 1 . . . . 94 ALA HA . 19688 1 1126 . 2 2 70 70 ALA HB1 H 1 1.488 0.020 . 1 . . . . 94 ALA HB . 19688 1 1127 . 2 2 70 70 ALA HB2 H 1 1.488 0.020 . 1 . . . . 94 ALA HB . 19688 1 1128 . 2 2 70 70 ALA HB3 H 1 1.488 0.020 . 1 . . . . 94 ALA HB . 19688 1 1129 . 2 2 70 70 ALA C C 13 178.216 0.300 . 1 . . . . 94 ALA C . 19688 1 1130 . 2 2 70 70 ALA CA C 13 55.518 0.300 . 1 . . . . 94 ALA CA . 19688 1 1131 . 2 2 70 70 ALA CB C 13 18.645 0.300 . 1 . . . . 94 ALA CB . 19688 1 1132 . 2 2 70 70 ALA N N 15 127.980 0.300 . 1 . . . . 94 ALA N . 19688 1 1133 . 2 2 71 71 ALA H H 1 8.193 0.020 . 1 . . . . 95 ALA H . 19688 1 1134 . 2 2 71 71 ALA HA H 1 4.167 0.020 . 1 . . . . 95 ALA HA . 19688 1 1135 . 2 2 71 71 ALA HB1 H 1 1.389 0.020 . 1 . . . . 95 ALA HB . 19688 1 1136 . 2 2 71 71 ALA HB2 H 1 1.389 0.020 . 1 . . . . 95 ALA HB . 19688 1 1137 . 2 2 71 71 ALA HB3 H 1 1.389 0.020 . 1 . . . . 95 ALA HB . 19688 1 1138 . 2 2 71 71 ALA C C 13 177.818 0.300 . 1 . . . . 95 ALA C . 19688 1 1139 . 2 2 71 71 ALA CA C 13 53.759 0.300 . 1 . . . . 95 ALA CA . 19688 1 1140 . 2 2 71 71 ALA CB C 13 18.337 0.300 . 1 . . . . 95 ALA CB . 19688 1 1141 . 2 2 71 71 ALA N N 15 116.387 0.300 . 1 . . . . 95 ALA N . 19688 1 1142 . 2 2 72 72 ASP H H 1 7.836 0.020 . 1 . . . . 96 ASP H . 19688 1 1143 . 2 2 72 72 ASP HA H 1 4.746 0.020 . 1 . . . . 96 ASP HA . 19688 1 1144 . 2 2 72 72 ASP HB2 H 1 2.693 0.020 . 1 . . . . 96 ASP HB2 . 19688 1 1145 . 2 2 72 72 ASP HB3 H 1 3.069 0.020 . 1 . . . . 96 ASP HB3 . 19688 1 1146 . 2 2 72 72 ASP C C 13 176.108 0.300 . 1 . . . . 96 ASP C . 19688 1 1147 . 2 2 72 72 ASP CA C 13 54.452 0.300 . 1 . . . . 96 ASP CA . 19688 1 1148 . 2 2 72 72 ASP CB C 13 42.056 0.300 . 1 . . . . 96 ASP CB . 19688 1 1149 . 2 2 72 72 ASP N N 15 115.714 0.300 . 1 . . . . 96 ASP N . 19688 1 1150 . 2 2 73 73 ILE H H 1 7.169 0.020 . 1 . . . . 97 ILE H . 19688 1 1151 . 2 2 73 73 ILE HA H 1 4.112 0.020 . 1 . . . . 97 ILE HA . 19688 1 1152 . 2 2 73 73 ILE HB H 1 1.778 0.020 . 1 . . . . 97 ILE HB . 19688 1 1153 . 2 2 73 73 ILE HG12 H 1 0.734 0.020 . 1 . . . . 97 ILE HG12 . 19688 1 1154 . 2 2 73 73 ILE HG13 H 1 0.913 0.020 . 1 . . . . 97 ILE HG13 . 19688 1 1155 . 2 2 73 73 ILE HG21 H 1 0.656 0.020 . 1 . . . . 97 ILE HG2 . 19688 1 1156 . 2 2 73 73 ILE HG22 H 1 0.656 0.020 . 1 . . . . 97 ILE HG2 . 19688 1 1157 . 2 2 73 73 ILE HG23 H 1 0.656 0.020 . 1 . . . . 97 ILE HG2 . 19688 1 1158 . 2 2 73 73 ILE HD11 H 1 0.394 0.020 . 1 . . . . 97 ILE HD1 . 19688 1 1159 . 2 2 73 73 ILE HD12 H 1 0.394 0.020 . 1 . . . . 97 ILE HD1 . 19688 1 1160 . 2 2 73 73 ILE HD13 H 1 0.394 0.020 . 1 . . . . 97 ILE HD1 . 19688 1 1161 . 2 2 73 73 ILE C C 13 175.148 0.300 . 1 . . . . 97 ILE C . 19688 1 1162 . 2 2 73 73 ILE CA C 13 63.189 0.300 . 1 . . . . 97 ILE CA . 19688 1 1163 . 2 2 73 73 ILE CB C 13 37.628 0.300 . 1 . . . . 97 ILE CB . 19688 1 1164 . 2 2 73 73 ILE CG1 C 13 27.106 0.300 . 1 . . . . 97 ILE CG1 . 19688 1 1165 . 2 2 73 73 ILE CG2 C 13 16.840 0.300 . 1 . . . . 97 ILE CG2 . 19688 1 1166 . 2 2 73 73 ILE CD1 C 13 12.704 0.300 . 1 . . . . 97 ILE CD1 . 19688 1 1167 . 2 2 73 73 ILE N N 15 120.270 0.300 . 1 . . . . 97 ILE N . 19688 1 1168 . 2 2 74 74 LYS H H 1 8.664 0.020 . 1 . . . . 98 LYS H . 19688 1 1169 . 2 2 74 74 LYS HA H 1 4.377 0.020 . 1 . . . . 98 LYS HA . 19688 1 1170 . 2 2 74 74 LYS HB2 H 1 1.354 0.020 . 1 . . . . 98 LYS HB2 . 19688 1 1171 . 2 2 74 74 LYS HB3 H 1 1.819 0.020 . 1 . . . . 98 LYS HB3 . 19688 1 1172 . 2 2 74 74 LYS HG2 H 1 1.491 0.020 . 2 . . . . 98 LYS HG# . 19688 1 1173 . 2 2 74 74 LYS HG3 H 1 1.491 0.020 . 2 . . . . 98 LYS HG# . 19688 1 1174 . 2 2 74 74 LYS HD2 H 1 1.496 0.020 . 2 . . . . 98 LYS HD# . 19688 1 1175 . 2 2 74 74 LYS HD3 H 1 1.496 0.020 . 2 . . . . 98 LYS HD# . 19688 1 1176 . 2 2 74 74 LYS HE2 H 1 3.001 0.020 . 2 . . . . 98 LYS HE# . 19688 1 1177 . 2 2 74 74 LYS HE3 H 1 3.001 0.020 . 2 . . . . 98 LYS HE# . 19688 1 1178 . 2 2 74 74 LYS C C 13 174.340 0.300 . 1 . . . . 98 LYS C . 19688 1 1179 . 2 2 74 74 LYS CA C 13 53.804 0.300 . 1 . . . . 98 LYS CA . 19688 1 1180 . 2 2 74 74 LYS CB C 13 33.962 0.300 . 1 . . . . 98 LYS CB . 19688 1 1181 . 2 2 74 74 LYS CG C 13 23.762 0.300 . 1 . . . . 98 LYS CG . 19688 1 1182 . 2 2 74 74 LYS CD C 13 28.197 0.300 . 1 . . . . 98 LYS CD . 19688 1 1183 . 2 2 74 74 LYS CE C 13 42.331 0.300 . 1 . . . . 98 LYS CE . 19688 1 1184 . 2 2 74 74 LYS N N 15 129.076 0.300 . 1 . . . . 98 LYS N . 19688 1 1185 . 2 2 75 75 ILE H H 1 8.064 0.020 . 1 . . . . 99 ILE H . 19688 1 1186 . 2 2 75 75 ILE HA H 1 4.925 0.020 . 1 . . . . 99 ILE HA . 19688 1 1187 . 2 2 75 75 ILE HB H 1 2.041 0.020 . 1 . . . . 99 ILE HB . 19688 1 1188 . 2 2 75 75 ILE HG12 H 1 0.840 0.020 . 1 . . . . 99 ILE HG12 . 19688 1 1189 . 2 2 75 75 ILE HG13 H 1 1.466 0.020 . 1 . . . . 99 ILE HG13 . 19688 1 1190 . 2 2 75 75 ILE HG21 H 1 0.645 0.020 . 1 . . . . 99 ILE HG2 . 19688 1 1191 . 2 2 75 75 ILE HG22 H 1 0.645 0.020 . 1 . . . . 99 ILE HG2 . 19688 1 1192 . 2 2 75 75 ILE HG23 H 1 0.645 0.020 . 1 . . . . 99 ILE HG2 . 19688 1 1193 . 2 2 75 75 ILE HD11 H 1 0.515 0.020 . 1 . . . . 99 ILE HD1 . 19688 1 1194 . 2 2 75 75 ILE HD12 H 1 0.515 0.020 . 1 . . . . 99 ILE HD1 . 19688 1 1195 . 2 2 75 75 ILE HD13 H 1 0.515 0.020 . 1 . . . . 99 ILE HD1 . 19688 1 1196 . 2 2 75 75 ILE C C 13 174.293 0.300 . 1 . . . . 99 ILE C . 19688 1 1197 . 2 2 75 75 ILE CA C 13 60.877 0.300 . 1 . . . . 99 ILE CA . 19688 1 1198 . 2 2 75 75 ILE CB C 13 37.952 0.300 . 1 . . . . 99 ILE CB . 19688 1 1199 . 2 2 75 75 ILE CG1 C 13 27.062 0.300 . 1 . . . . 99 ILE CG1 . 19688 1 1200 . 2 2 75 75 ILE CG2 C 13 18.612 0.300 . 1 . . . . 99 ILE CG2 . 19688 1 1201 . 2 2 75 75 ILE CD1 C 13 13.914 0.300 . 1 . . . . 99 ILE CD1 . 19688 1 1202 . 2 2 75 75 ILE N N 15 121.555 0.300 . 1 . . . . 99 ILE N . 19688 1 1203 . 2 2 76 76 PHE H H 1 9.404 0.020 . 1 . . . . 100 PHE H . 19688 1 1204 . 2 2 76 76 PHE HA H 1 5.792 0.020 . 1 . . . . 100 PHE HA . 19688 1 1205 . 2 2 76 76 PHE HB2 H 1 2.743 0.020 . 1 . . . . 100 PHE HB2 . 19688 1 1206 . 2 2 76 76 PHE HB3 H 1 2.855 0.020 . 1 . . . . 100 PHE HB3 . 19688 1 1207 . 2 2 76 76 PHE HD1 H 1 7.342 0.020 . 1 . . . . 100 PHE HD# . 19688 1 1208 . 2 2 76 76 PHE HD2 H 1 7.342 0.020 . 1 . . . . 100 PHE HD# . 19688 1 1209 . 2 2 76 76 PHE C C 13 174.574 0.300 . 1 . . . . 100 PHE C . 19688 1 1210 . 2 2 76 76 PHE CA C 13 55.352 0.300 . 1 . . . . 100 PHE CA . 19688 1 1211 . 2 2 76 76 PHE CB C 13 42.609 0.300 . 1 . . . . 100 PHE CB . 19688 1 1212 . 2 2 76 76 PHE CD1 C 13 128.393 0.300 . 1 . . . . 100 PHE CD1 . 19688 1 1213 . 2 2 76 76 PHE N N 15 125.411 0.300 . 1 . . . . 100 PHE N . 19688 1 1214 . 2 2 77 77 HIS H H 1 9.213 0.020 . 1 . . . . 101 HIS H . 19688 1 1215 . 2 2 77 77 HIS HA H 1 5.529 0.020 . 1 . . . . 101 HIS HA . 19688 1 1216 . 2 2 77 77 HIS HB2 H 1 2.631 0.020 . 1 . . . . 101 HIS HB2 . 19688 1 1217 . 2 2 77 77 HIS HB3 H 1 3.164 0.020 . 1 . . . . 101 HIS HB3 . 19688 1 1218 . 2 2 77 77 HIS HD2 H 1 7.065 0.020 . 1 . . . . 101 HIS HD2 . 19688 1 1219 . 2 2 77 77 HIS HE1 H 1 7.883 0.020 . 1 . . . . 101 HIS HE1 . 19688 1 1220 . 2 2 77 77 HIS C C 13 174.223 0.300 . 1 . . . . 101 HIS C . 19688 1 1221 . 2 2 77 77 HIS CA C 13 53.120 0.300 . 1 . . . . 101 HIS CA . 19688 1 1222 . 2 2 77 77 HIS CB C 13 33.616 0.300 . 1 . . . . 101 HIS CB . 19688 1 1223 . 2 2 77 77 HIS CD2 C 13 120.173 0.300 . 1 . . . . 101 HIS CD2 . 19688 1 1224 . 2 2 77 77 HIS CE1 C 13 138.451 0.300 . 1 . . . . 101 HIS CE1 . 19688 1 1225 . 2 2 77 77 HIS N N 15 122.941 0.300 . 1 . . . . 101 HIS N . 19688 1 1226 . 2 2 77 77 HIS ND1 N 15 221.709 0.300 . 1 . . . . 101 HIS ND1 . 19688 1 1227 . 2 2 77 77 HIS NE2 N 15 182.566 0.300 . 1 . . . . 101 HIS NE2 . 19688 1 1228 . 2 2 78 78 ILE H H 1 8.506 0.020 . 1 . . . . 102 ILE H . 19688 1 1229 . 2 2 78 78 ILE HA H 1 4.884 0.020 . 1 . . . . 102 ILE HA . 19688 1 1230 . 2 2 78 78 ILE HB H 1 2.115 0.020 . 1 . . . . 102 ILE HB . 19688 1 1231 . 2 2 78 78 ILE HG12 H 1 0.910 0.020 . 1 . . . . 102 ILE HG12 . 19688 1 1232 . 2 2 78 78 ILE HG13 H 1 1.427 0.020 . 1 . . . . 102 ILE HG13 . 19688 1 1233 . 2 2 78 78 ILE HG21 H 1 0.929 0.020 . 1 . . . . 102 ILE HG2 . 19688 1 1234 . 2 2 78 78 ILE HG22 H 1 0.929 0.020 . 1 . . . . 102 ILE HG2 . 19688 1 1235 . 2 2 78 78 ILE HG23 H 1 0.929 0.020 . 1 . . . . 102 ILE HG2 . 19688 1 1236 . 2 2 78 78 ILE HD11 H 1 0.590 0.020 . 1 . . . . 102 ILE HD1 . 19688 1 1237 . 2 2 78 78 ILE HD12 H 1 0.590 0.020 . 1 . . . . 102 ILE HD1 . 19688 1 1238 . 2 2 78 78 ILE HD13 H 1 0.590 0.020 . 1 . . . . 102 ILE HD1 . 19688 1 1239 . 2 2 78 78 ILE C C 13 176.705 0.300 . 1 . . . . 102 ILE C . 19688 1 1240 . 2 2 78 78 ILE CA C 13 60.182 0.300 . 1 . . . . 102 ILE CA . 19688 1 1241 . 2 2 78 78 ILE CB C 13 36.314 0.300 . 1 . . . . 102 ILE CB . 19688 1 1242 . 2 2 78 78 ILE CG1 C 13 26.196 0.300 . 1 . . . . 102 ILE CG1 . 19688 1 1243 . 2 2 78 78 ILE CG2 C 13 18.744 0.300 . 1 . . . . 102 ILE CG2 . 19688 1 1244 . 2 2 78 78 ILE CD1 C 13 12.779 0.300 . 1 . . . . 102 ILE CD1 . 19688 1 1245 . 2 2 78 78 ILE N N 15 127.582 0.300 . 1 . . . . 102 ILE N . 19688 1 1246 . 2 2 79 79 ARG H H 1 8.736 0.020 . 1 . . . . 103 ARG H . 19688 1 1247 . 2 2 79 79 ARG HA H 1 3.685 0.020 . 1 . . . . 103 ARG HA . 19688 1 1248 . 2 2 79 79 ARG HB2 H 1 1.661 0.020 . 1 . . . . 103 ARG HB2 . 19688 1 1249 . 2 2 79 79 ARG HB3 H 1 1.715 0.020 . 1 . . . . 103 ARG HB3 . 19688 1 1250 . 2 2 79 79 ARG HG2 H 1 1.433 0.020 . 1 . . . . 103 ARG HG2 . 19688 1 1251 . 2 2 79 79 ARG HG3 H 1 1.521 0.020 . 1 . . . . 103 ARG HG3 . 19688 1 1252 . 2 2 79 79 ARG HD2 H 1 3.211 0.020 . 2 . . . . 103 ARG HD# . 19688 1 1253 . 2 2 79 79 ARG HD3 H 1 3.211 0.020 . 2 . . . . 103 ARG HD# . 19688 1 1254 . 2 2 79 79 ARG C C 13 180.569 0.300 . 1 . . . . 103 ARG C . 19688 1 1255 . 2 2 79 79 ARG CA C 13 60.332 0.300 . 1 . . . . 103 ARG CA . 19688 1 1256 . 2 2 79 79 ARG CB C 13 29.673 0.300 . 1 . . . . 103 ARG CB . 19688 1 1257 . 2 2 79 79 ARG CG C 13 27.346 0.300 . 1 . . . . 103 ARG CG . 19688 1 1258 . 2 2 79 79 ARG CD C 13 43.251 0.300 . 1 . . . . 103 ARG CD . 19688 1 1259 . 2 2 79 79 ARG N N 15 129.451 0.300 . 1 . . . . 103 ARG N . 19688 1 1260 . 2 2 80 80 LYS H H 1 9.136 0.020 . 1 . . . . 104 LYS H . 19688 1 1261 . 2 2 80 80 LYS HA H 1 4.176 0.020 . 1 . . . . 104 LYS HA . 19688 1 1262 . 2 2 80 80 LYS HB2 H 1 1.854 0.020 . 1 . . . . 104 LYS HB2 . 19688 1 1263 . 2 2 80 80 LYS HB3 H 1 1.987 0.020 . 1 . . . . 104 LYS HB3 . 19688 1 1264 . 2 2 80 80 LYS HG2 H 1 1.477 0.020 . 2 . . . . 104 LYS HG# . 19688 1 1265 . 2 2 80 80 LYS HG3 H 1 1.477 0.020 . 2 . . . . 104 LYS HG# . 19688 1 1266 . 2 2 80 80 LYS HD2 H 1 1.732 0.020 . 2 . . . . 104 LYS HD# . 19688 1 1267 . 2 2 80 80 LYS HD3 H 1 1.732 0.020 . 2 . . . . 104 LYS HD# . 19688 1 1268 . 2 2 80 80 LYS HE2 H 1 3.045 0.020 . 2 . . . . 104 LYS HE# . 19688 1 1269 . 2 2 80 80 LYS HE3 H 1 3.045 0.020 . 2 . . . . 104 LYS HE# . 19688 1 1270 . 2 2 80 80 LYS C C 13 176.986 0.300 . 1 . . . . 104 LYS C . 19688 1 1271 . 2 2 80 80 LYS CA C 13 59.068 0.300 . 1 . . . . 104 LYS CA . 19688 1 1272 . 2 2 80 80 LYS CB C 13 32.063 0.300 . 1 . . . . 104 LYS CB . 19688 1 1273 . 2 2 80 80 LYS CG C 13 24.969 0.300 . 1 . . . . 104 LYS CG . 19688 1 1274 . 2 2 80 80 LYS CD C 13 29.170 0.300 . 1 . . . . 104 LYS CD . 19688 1 1275 . 2 2 80 80 LYS CE C 13 41.883 0.300 . 1 . . . . 104 LYS CE . 19688 1 1276 . 2 2 80 80 LYS N N 15 118.234 0.300 . 1 . . . . 104 LYS N . 19688 1 1277 . 2 2 81 81 GLU H H 1 7.139 0.020 . 1 . . . . 105 GLU H . 19688 1 1278 . 2 2 81 81 GLU HA H 1 4.583 0.020 . 1 . . . . 105 GLU HA . 19688 1 1279 . 2 2 81 81 GLU HB2 H 1 1.968 0.020 . 1 . . . . 105 GLU HB2 . 19688 1 1280 . 2 2 81 81 GLU HB3 H 1 2.467 0.020 . 1 . . . . 105 GLU HB3 . 19688 1 1281 . 2 2 81 81 GLU HG2 H 1 2.307 0.020 . 2 . . . . 105 GLU HG# . 19688 1 1282 . 2 2 81 81 GLU HG3 H 1 2.307 0.020 . 2 . . . . 105 GLU HG# . 19688 1 1283 . 2 2 81 81 GLU C C 13 176.764 0.300 . 1 . . . . 105 GLU C . 19688 1 1284 . 2 2 81 81 GLU CA C 13 55.385 0.300 . 1 . . . . 105 GLU CA . 19688 1 1285 . 2 2 81 81 GLU CB C 13 31.281 0.300 . 1 . . . . 105 GLU CB . 19688 1 1286 . 2 2 81 81 GLU CG C 13 36.429 0.300 . 1 . . . . 105 GLU CG . 19688 1 1287 . 2 2 81 81 GLU N N 15 115.154 0.300 . 1 . . . . 105 GLU N . 19688 1 1288 . 2 2 82 82 ARG H H 1 8.426 0.020 . 1 . . . . 106 ARG H . 19688 1 1289 . 2 2 82 82 ARG HA H 1 4.613 0.020 . 1 . . . . 106 ARG HA . 19688 1 1290 . 2 2 82 82 ARG HB2 H 1 2.330 0.020 . 2 . . . . 106 ARG HB . 19688 1 1291 . 2 2 82 82 ARG HB3 H 1 2.330 0.020 . 2 . . . . 106 ARG HB . 19688 1 1292 . 2 2 82 82 ARG HG2 H 1 1.778 0.020 . 2 . . . . 106 ARG HG# . 19688 1 1293 . 2 2 82 82 ARG HG3 H 1 1.778 0.020 . 2 . . . . 106 ARG HG# . 19688 1 1294 . 2 2 82 82 ARG HD2 H 1 3.336 0.020 . 2 . . . . 106 ARG HD# . 19688 1 1295 . 2 2 82 82 ARG HD3 H 1 3.336 0.020 . 2 . . . . 106 ARG HD# . 19688 1 1296 . 2 2 82 82 ARG C C 13 175.169 0.300 . 1 . . . . 106 ARG C . 19688 1 1297 . 2 2 82 82 ARG CA C 13 56.772 0.300 . 1 . . . . 106 ARG CA . 19688 1 1298 . 2 2 82 82 ARG CB C 13 28.163 0.300 . 1 . . . . 106 ARG CB . 19688 1 1299 . 2 2 82 82 ARG CG C 13 27.079 0.300 . 1 . . . . 106 ARG CG . 19688 1 1300 . 2 2 82 82 ARG CD C 13 43.421 0.300 . 1 . . . . 106 ARG CD . 19688 1 1301 . 2 2 82 82 ARG N N 15 119.949 0.300 . 1 . . . . 106 ARG N . 19688 1 1302 . 2 2 83 83 THR H H 1 7.335 0.020 . 1 . . . . 107 THR H . 19688 1 1303 . 2 2 83 83 THR HA H 1 5.406 0.020 . 1 . . . . 107 THR HA . 19688 1 1304 . 2 2 83 83 THR HB H 1 3.817 0.020 . 1 . . . . 107 THR HB . 19688 1 1305 . 2 2 83 83 THR HG21 H 1 0.675 0.020 . 1 . . . . 107 THR HG2 . 19688 1 1306 . 2 2 83 83 THR HG22 H 1 0.675 0.020 . 1 . . . . 107 THR HG2 . 19688 1 1307 . 2 2 83 83 THR HG23 H 1 0.675 0.020 . 1 . . . . 107 THR HG2 . 19688 1 1308 . 2 2 83 83 THR C C 13 172.022 0.300 . 1 . . . . 107 THR C . 19688 1 1309 . 2 2 83 83 THR CA C 13 61.476 0.300 . 1 . . . . 107 THR CA . 19688 1 1310 . 2 2 83 83 THR CB C 13 72.770 0.300 . 1 . . . . 107 THR CB . 19688 1 1311 . 2 2 83 83 THR CG2 C 13 21.723 0.300 . 1 . . . . 107 THR CG2 . 19688 1 1312 . 2 2 83 83 THR N N 15 110.019 0.300 . 1 . . . . 107 THR N . 19688 1 1313 . 2 2 84 84 LEU H H 1 8.942 0.020 . 1 . . . . 108 LEU H . 19688 1 1314 . 2 2 84 84 LEU HA H 1 5.109 0.020 . 1 . . . . 108 LEU HA . 19688 1 1315 . 2 2 84 84 LEU HB2 H 1 0.853 0.020 . 1 . . . . 108 LEU HB2 . 19688 1 1316 . 2 2 84 84 LEU HB3 H 1 1.241 0.020 . 1 . . . . 108 LEU HB3 . 19688 1 1317 . 2 2 84 84 LEU HG H 1 0.985 0.020 . 1 . . . . 108 LEU HG . 19688 1 1318 . 2 2 84 84 LEU HD11 H 1 -000.02 0.020 . 2 . . . . 108 LEU HD1 . 19688 1 1319 . 2 2 84 84 LEU HD12 H 1 -000.02 0.020 . 2 . . . . 108 LEU HD1 . 19688 1 1320 . 2 2 84 84 LEU HD13 H 1 -000.02 0.020 . 2 . . . . 108 LEU HD1 . 19688 1 1321 . 2 2 84 84 LEU HD21 H 1 0.159 0.020 . 2 . . . . 108 LEU HD2 . 19688 1 1322 . 2 2 84 84 LEU HD22 H 1 0.159 0.020 . 2 . . . . 108 LEU HD2 . 19688 1 1323 . 2 2 84 84 LEU HD23 H 1 0.159 0.020 . 2 . . . . 108 LEU HD2 . 19688 1 1324 . 2 2 84 84 LEU C C 13 174.223 0.300 . 1 . . . . 108 LEU C . 19688 1 1325 . 2 2 84 84 LEU CA C 13 52.959 0.300 . 1 . . . . 108 LEU CA . 19688 1 1326 . 2 2 84 84 LEU CB C 13 45.584 0.300 . 1 . . . . 108 LEU CB . 19688 1 1327 . 2 2 84 84 LEU CG C 13 25.850 0.300 . 1 . . . . 108 LEU CG . 19688 1 1328 . 2 2 84 84 LEU CD1 C 13 24.126 0.300 . 1 . . . . 108 LEU CD1 . 19688 1 1329 . 2 2 84 84 LEU CD2 C 13 24.144 0.300 . 1 . . . . 108 LEU CD2 . 19688 1 1330 . 2 2 84 84 LEU N N 15 127.320 0.300 . 1 . . . . 108 LEU N . 19688 1 1331 . 2 2 85 85 TYR H H 1 9.390 0.020 . 1 . . . . 109 TYR H . 19688 1 1332 . 2 2 85 85 TYR HA H 1 4.814 0.020 . 1 . . . . 109 TYR HA . 19688 1 1333 . 2 2 85 85 TYR HB2 H 1 2.892 0.020 . 1 . . . . 109 TYR HB2 . 19688 1 1334 . 2 2 85 85 TYR HB3 H 1 3.190 0.020 . 1 . . . . 109 TYR HB3 . 19688 1 1335 . 2 2 85 85 TYR HD1 H 1 6.921 0.020 . 1 . . . . 109 TYR HD# . 19688 1 1336 . 2 2 85 85 TYR HD2 H 1 6.921 0.020 . 1 . . . . 109 TYR HD# . 19688 1 1337 . 2 2 85 85 TYR HE1 H 1 6.666 0.020 . 1 . . . . 109 TYR HE# . 19688 1 1338 . 2 2 85 85 TYR HE2 H 1 6.666 0.020 . 1 . . . . 109 TYR HE# . 19688 1 1339 . 2 2 85 85 TYR C C 13 174.551 0.300 . 1 . . . . 109 TYR C . 19688 1 1340 . 2 2 85 85 TYR CA C 13 57.225 0.300 . 1 . . . . 109 TYR CA . 19688 1 1341 . 2 2 85 85 TYR CB C 13 41.917 0.300 . 1 . . . . 109 TYR CB . 19688 1 1342 . 2 2 85 85 TYR CD1 C 13 133.169 0.300 . 1 . . . . 109 TYR CD1 . 19688 1 1343 . 2 2 85 85 TYR CE1 C 13 118.236 0.300 . 1 . . . . 109 TYR CE1 . 19688 1 1344 . 2 2 85 85 TYR N N 15 123.629 0.300 . 1 . . . . 109 TYR N . 19688 1 1345 . 2 2 86 86 ILE H H 1 9.028 0.020 . 1 . . . . 110 ILE H . 19688 1 1346 . 2 2 86 86 ILE HA H 1 5.003 0.020 . 1 . . . . 110 ILE HA . 19688 1 1347 . 2 2 86 86 ILE HB H 1 1.751 0.020 . 1 . . . . 110 ILE HB . 19688 1 1348 . 2 2 86 86 ILE HG12 H 1 0.821 0.020 . 1 . . . . 110 ILE HG12 . 19688 1 1349 . 2 2 86 86 ILE HG13 H 1 1.356 0.020 . 1 . . . . 110 ILE HG13 . 19688 1 1350 . 2 2 86 86 ILE HG21 H 1 0.594 0.020 . 1 . . . . 110 ILE HG2 . 19688 1 1351 . 2 2 86 86 ILE HG22 H 1 0.594 0.020 . 1 . . . . 110 ILE HG2 . 19688 1 1352 . 2 2 86 86 ILE HG23 H 1 0.594 0.020 . 1 . . . . 110 ILE HG2 . 19688 1 1353 . 2 2 86 86 ILE HD11 H 1 0.507 0.020 . 1 . . . . 110 ILE HD1 . 19688 1 1354 . 2 2 86 86 ILE HD12 H 1 0.507 0.020 . 1 . . . . 110 ILE HD1 . 19688 1 1355 . 2 2 86 86 ILE HD13 H 1 0.507 0.020 . 1 . . . . 110 ILE HD1 . 19688 1 1356 . 2 2 86 86 ILE C C 13 174.153 0.300 . 1 . . . . 110 ILE C . 19688 1 1357 . 2 2 86 86 ILE CA C 13 59.786 0.300 . 1 . . . . 110 ILE CA . 19688 1 1358 . 2 2 86 86 ILE CB C 13 39.773 0.300 . 1 . . . . 110 ILE CB . 19688 1 1359 . 2 2 86 86 ILE CG1 C 13 27.308 0.300 . 1 . . . . 110 ILE CG1 . 19688 1 1360 . 2 2 86 86 ILE CG2 C 13 16.839 0.300 . 1 . . . . 110 ILE CG2 . 19688 1 1361 . 2 2 86 86 ILE CD1 C 13 14.877 0.300 . 1 . . . . 110 ILE CD1 . 19688 1 1362 . 2 2 86 86 ILE N N 15 122.148 0.300 . 1 . . . . 110 ILE N . 19688 1 1363 . 2 2 87 87 TYR H H 1 9.402 0.020 . 1 . . . . 111 TYR H . 19688 1 1364 . 2 2 87 87 TYR HA H 1 5.196 0.020 . 1 . . . . 111 TYR HA . 19688 1 1365 . 2 2 87 87 TYR HB2 H 1 2.526 0.020 . 1 . . . . 111 TYR HB2 . 19688 1 1366 . 2 2 87 87 TYR HB3 H 1 2.718 0.020 . 1 . . . . 111 TYR HB3 . 19688 1 1367 . 2 2 87 87 TYR HD1 H 1 6.949 0.020 . 1 . . . . 111 TYR HD# . 19688 1 1368 . 2 2 87 87 TYR HD2 H 1 6.949 0.020 . 1 . . . . 111 TYR HD# . 19688 1 1369 . 2 2 87 87 TYR HE1 H 1 6.361 0.020 . 1 . . . . 111 TYR HE# . 19688 1 1370 . 2 2 87 87 TYR HE2 H 1 6.361 0.020 . 1 . . . . 111 TYR HE# . 19688 1 1371 . 2 2 87 87 TYR C C 13 174.492 0.300 . 1 . . . . 111 TYR C . 19688 1 1372 . 2 2 87 87 TYR CA C 13 57.544 0.300 . 1 . . . . 111 TYR CA . 19688 1 1373 . 2 2 87 87 TYR CB C 13 40.396 0.300 . 1 . . . . 111 TYR CB . 19688 1 1374 . 2 2 87 87 TYR CD1 C 13 131.580 0.300 . 1 . . . . 111 TYR CD1 . 19688 1 1375 . 2 2 87 87 TYR CE1 C 13 116.511 0.300 . 1 . . . . 111 TYR CE1 . 19688 1 1376 . 2 2 87 87 TYR N N 15 125.831 0.300 . 1 . . . . 111 TYR N . 19688 1 1377 . 2 2 88 88 ILE H H 1 8.998 0.020 . 1 . . . . 112 ILE H . 19688 1 1378 . 2 2 88 88 ILE HA H 1 4.152 0.020 . 1 . . . . 112 ILE HA . 19688 1 1379 . 2 2 88 88 ILE HB H 1 1.661 0.020 . 1 . . . . 112 ILE HB . 19688 1 1380 . 2 2 88 88 ILE HG12 H 1 0.861 0.020 . 1 . . . . 112 ILE HG12 . 19688 1 1381 . 2 2 88 88 ILE HG13 H 1 1.467 0.020 . 1 . . . . 112 ILE HG13 . 19688 1 1382 . 2 2 88 88 ILE HG21 H 1 0.884 0.020 . 1 . . . . 112 ILE HG2 . 19688 1 1383 . 2 2 88 88 ILE HG22 H 1 0.884 0.020 . 1 . . . . 112 ILE HG2 . 19688 1 1384 . 2 2 88 88 ILE HG23 H 1 0.884 0.020 . 1 . . . . 112 ILE HG2 . 19688 1 1385 . 2 2 88 88 ILE HD11 H 1 0.672 0.020 . 1 . . . . 112 ILE HD1 . 19688 1 1386 . 2 2 88 88 ILE HD12 H 1 0.672 0.020 . 1 . . . . 112 ILE HD1 . 19688 1 1387 . 2 2 88 88 ILE HD13 H 1 0.672 0.020 . 1 . . . . 112 ILE HD1 . 19688 1 1388 . 2 2 88 88 ILE C C 13 179.433 0.300 . 1 . . . . 112 ILE C . 19688 1 1389 . 2 2 88 88 ILE CA C 13 63.920 0.300 . 1 . . . . 112 ILE CA . 19688 1 1390 . 2 2 88 88 ILE CB C 13 42.133 0.300 . 1 . . . . 112 ILE CB . 19688 1 1391 . 2 2 88 88 ILE CG1 C 13 28.473 0.300 . 1 . . . . 112 ILE CG1 . 19688 1 1392 . 2 2 88 88 ILE CG2 C 13 18.798 0.300 . 1 . . . . 112 ILE CG2 . 19688 1 1393 . 2 2 88 88 ILE CD1 C 13 15.018 0.300 . 1 . . . . 112 ILE CD1 . 19688 1 1394 . 2 2 88 88 ILE N N 15 127.850 0.300 . 1 . . . . 112 ILE N . 19688 1 stop_ save_