data_17085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17085 _Entry.Title ; NMR structure of the HLTF HIRAN domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-28 _Entry.Accession_date 2010-07-28 _Entry.Last_release_date 2012-05-14 _Entry.Original_release_date 2012-05-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'HIRAN domain of the Helicase-Like Transcription Factor (HLTF).' _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 Irina Bezsonova . . . 17085 2 Dante Neculai . . . 17085 3 Johan Weigelt . . . 17085 4 Chas Bountra . . . 17085 5 Aled Edwards . M. . 17085 6 Cheryl Arrowsmith . H. . 17085 7 Sirano Dhe-Paganon . . . 17085 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Structural Genomics Consortium' . 17085 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA repair' . 17085 'HIRAN domain' . 17085 HLTF . 17085 'transcription factor' . 17085 'transcription regulation' . 17085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 17085 '15N chemical shifts' 116 17085 '1H chemical shifts' 750 17085 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 . . 2012-05-14 2010-07-28 original author . 17085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L1I 'BMRB Entry Tracking System' 17085 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17085 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the HLTF HIRAN domain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Dante Neculai . . . 17085 1 2 Irina Bezsonova . . . 17085 1 3 Johan Weigelt . . . 17085 1 4 Chas Bountra . . . 17085 1 5 Aled Edwards . . . 17085 1 6 Cheryl Arrowsmith . . . 17085 1 7 Sirano Dhe-Paganon . . . 17085 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA repair' 17085 1 'HIRAN domain' 17085 1 HLTF 17085 1 'transcription factor' 17085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17085 _Assembly.ID 1 _Assembly.Name 'HLTF HIRAN domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HLTF 1 $HLTF A . yes native no no . . . 17085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLTF _Entity.Sf_category entity _Entity.Sf_framecode HLTF _Entity.Entry_ID 17085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLTF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDEEVDSVLFGSLRGHVVG LRYYTGVVNNNEMVALQRDP NNPYDKNAIKVNNVNGNQVG HLKKELAGALAYIMDNKLAQ IEGVVPFGANNAFTMPLHMT FWGKEENRKAVSDQLKKHGF KL ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'HIRAN domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13532.442 _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 18458 . HLTF-HIRAN . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 17085 1 2 no BMRB 25492 . entity . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 17085 1 3 no PDB 2L1I . "Nmr Structure Of The Hltf Hiran Domain" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 17085 1 4 no PDB 2MZN . "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" . . . . . 100.00 122 100.00 100.00 1.08e-82 . . . . 17085 1 5 no PDB 4S0N . "Crystal Structure Of Hltf Hiran Domain Bound To Dna" . . . . . 96.72 130 99.15 99.15 2.43e-78 . . . . 17085 1 6 no PDB 4XZF . "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" . . . . . 94.26 122 100.00 100.00 7.50e-77 . . . . 17085 1 7 no PDB 4XZG . "Crystal Structure Of Hiran Domain Of Human Hltf" . . . . . 94.26 138 100.00 100.00 1.03e-76 . . . . 17085 1 8 no DBJ BAD92289 . "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" . . . . . 99.18 992 100.00 100.00 2.18e-77 . . . . 17085 1 9 no DBJ BAF83920 . "unnamed protein product [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 1 10 no EMBL CAA86571 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 1 11 no EMBL CAD10805 . "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 1 12 no GB AAA67436 . "ATPase [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.11e-77 . . . . 17085 1 13 no GB AAB27691 . "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" . . . . . 99.18 176 100.00 100.00 2.85e-81 . . . . 17085 1 14 no GB AAH05260 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 395 100.00 100.00 4.01e-79 . . . . 17085 1 15 no GB AAH15498 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 455 100.00 100.00 2.52e-79 . . . . 17085 1 16 no GB AAH30976 . "HLTF protein, partial [Homo sapiens]" . . . . . 99.18 460 100.00 100.00 3.63e-79 . . . . 17085 1 17 no REF NP_003062 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 1 18 no REF NP_620636 . "helicase-like transcription factor [Homo sapiens]" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 1 19 no REF XP_001138277 . "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" . . . . . 99.18 1009 100.00 100.00 3.47e-77 . . . . 17085 1 20 no REF XP_002814205 . "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" . . . . . 99.18 1009 99.17 100.00 4.87e-77 . . . . 17085 1 21 no REF XP_003256297 . "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" . . . . . 99.18 1009 97.52 100.00 3.67e-76 . . . . 17085 1 22 no SP Q14527 . "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" . . . . . 99.18 1009 100.00 100.00 4.28e-77 . . . . 17085 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 50 GLY . 17085 1 2 51 SER . 17085 1 3 52 ASP . 17085 1 4 53 GLU . 17085 1 5 54 GLU . 17085 1 6 55 VAL . 17085 1 7 56 ASP . 17085 1 8 57 SER . 17085 1 9 58 VAL . 17085 1 10 59 LEU . 17085 1 11 60 PHE . 17085 1 12 61 GLY . 17085 1 13 62 SER . 17085 1 14 63 LEU . 17085 1 15 64 ARG . 17085 1 16 65 GLY . 17085 1 17 66 HIS . 17085 1 18 67 VAL . 17085 1 19 68 VAL . 17085 1 20 69 GLY . 17085 1 21 70 LEU . 17085 1 22 71 ARG . 17085 1 23 72 TYR . 17085 1 24 73 TYR . 17085 1 25 74 THR . 17085 1 26 75 GLY . 17085 1 27 76 VAL . 17085 1 28 77 VAL . 17085 1 29 78 ASN . 17085 1 30 79 ASN . 17085 1 31 80 ASN . 17085 1 32 81 GLU . 17085 1 33 82 MET . 17085 1 34 83 VAL . 17085 1 35 84 ALA . 17085 1 36 85 LEU . 17085 1 37 86 GLN . 17085 1 38 87 ARG . 17085 1 39 88 ASP . 17085 1 40 89 PRO . 17085 1 41 90 ASN . 17085 1 42 91 ASN . 17085 1 43 92 PRO . 17085 1 44 93 TYR . 17085 1 45 94 ASP . 17085 1 46 95 LYS . 17085 1 47 96 ASN . 17085 1 48 97 ALA . 17085 1 49 98 ILE . 17085 1 50 99 LYS . 17085 1 51 100 VAL . 17085 1 52 101 ASN . 17085 1 53 102 ASN . 17085 1 54 103 VAL . 17085 1 55 104 ASN . 17085 1 56 105 GLY . 17085 1 57 106 ASN . 17085 1 58 107 GLN . 17085 1 59 108 VAL . 17085 1 60 109 GLY . 17085 1 61 110 HIS . 17085 1 62 111 LEU . 17085 1 63 112 LYS . 17085 1 64 113 LYS . 17085 1 65 114 GLU . 17085 1 66 115 LEU . 17085 1 67 116 ALA . 17085 1 68 117 GLY . 17085 1 69 118 ALA . 17085 1 70 119 LEU . 17085 1 71 120 ALA . 17085 1 72 121 TYR . 17085 1 73 122 ILE . 17085 1 74 123 MET . 17085 1 75 124 ASP . 17085 1 76 125 ASN . 17085 1 77 126 LYS . 17085 1 78 127 LEU . 17085 1 79 128 ALA . 17085 1 80 129 GLN . 17085 1 81 130 ILE . 17085 1 82 131 GLU . 17085 1 83 132 GLY . 17085 1 84 133 VAL . 17085 1 85 134 VAL . 17085 1 86 135 PRO . 17085 1 87 136 PHE . 17085 1 88 137 GLY . 17085 1 89 138 ALA . 17085 1 90 139 ASN . 17085 1 91 140 ASN . 17085 1 92 141 ALA . 17085 1 93 142 PHE . 17085 1 94 143 THR . 17085 1 95 144 MET . 17085 1 96 145 PRO . 17085 1 97 146 LEU . 17085 1 98 147 HIS . 17085 1 99 148 MET . 17085 1 100 149 THR . 17085 1 101 150 PHE . 17085 1 102 151 TRP . 17085 1 103 152 GLY . 17085 1 104 153 LYS . 17085 1 105 154 GLU . 17085 1 106 155 GLU . 17085 1 107 156 ASN . 17085 1 108 157 ARG . 17085 1 109 158 LYS . 17085 1 110 159 ALA . 17085 1 111 160 VAL . 17085 1 112 161 SER . 17085 1 113 162 ASP . 17085 1 114 163 GLN . 17085 1 115 164 LEU . 17085 1 116 165 LYS . 17085 1 117 166 LYS . 17085 1 118 167 HIS . 17085 1 119 168 GLY . 17085 1 120 169 PHE . 17085 1 121 170 LYS . 17085 1 122 171 LEU . 17085 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 17085 1 . SER 2 2 17085 1 . ASP 3 3 17085 1 . GLU 4 4 17085 1 . GLU 5 5 17085 1 . VAL 6 6 17085 1 . ASP 7 7 17085 1 . SER 8 8 17085 1 . VAL 9 9 17085 1 . LEU 10 10 17085 1 . PHE 11 11 17085 1 . GLY 12 12 17085 1 . SER 13 13 17085 1 . LEU 14 14 17085 1 . ARG 15 15 17085 1 . GLY 16 16 17085 1 . HIS 17 17 17085 1 . VAL 18 18 17085 1 . VAL 19 19 17085 1 . GLY 20 20 17085 1 . LEU 21 21 17085 1 . ARG 22 22 17085 1 . TYR 23 23 17085 1 . TYR 24 24 17085 1 . THR 25 25 17085 1 . GLY 26 26 17085 1 . VAL 27 27 17085 1 . VAL 28 28 17085 1 . ASN 29 29 17085 1 . ASN 30 30 17085 1 . ASN 31 31 17085 1 . GLU 32 32 17085 1 . MET 33 33 17085 1 . VAL 34 34 17085 1 . ALA 35 35 17085 1 . LEU 36 36 17085 1 . GLN 37 37 17085 1 . ARG 38 38 17085 1 . ASP 39 39 17085 1 . PRO 40 40 17085 1 . ASN 41 41 17085 1 . ASN 42 42 17085 1 . PRO 43 43 17085 1 . TYR 44 44 17085 1 . ASP 45 45 17085 1 . LYS 46 46 17085 1 . ASN 47 47 17085 1 . ALA 48 48 17085 1 . ILE 49 49 17085 1 . LYS 50 50 17085 1 . VAL 51 51 17085 1 . ASN 52 52 17085 1 . ASN 53 53 17085 1 . VAL 54 54 17085 1 . ASN 55 55 17085 1 . GLY 56 56 17085 1 . ASN 57 57 17085 1 . GLN 58 58 17085 1 . VAL 59 59 17085 1 . GLY 60 60 17085 1 . HIS 61 61 17085 1 . LEU 62 62 17085 1 . LYS 63 63 17085 1 . LYS 64 64 17085 1 . GLU 65 65 17085 1 . LEU 66 66 17085 1 . ALA 67 67 17085 1 . GLY 68 68 17085 1 . ALA 69 69 17085 1 . LEU 70 70 17085 1 . ALA 71 71 17085 1 . TYR 72 72 17085 1 . ILE 73 73 17085 1 . MET 74 74 17085 1 . ASP 75 75 17085 1 . ASN 76 76 17085 1 . LYS 77 77 17085 1 . LEU 78 78 17085 1 . ALA 79 79 17085 1 . GLN 80 80 17085 1 . ILE 81 81 17085 1 . GLU 82 82 17085 1 . GLY 83 83 17085 1 . VAL 84 84 17085 1 . VAL 85 85 17085 1 . PRO 86 86 17085 1 . PHE 87 87 17085 1 . GLY 88 88 17085 1 . ALA 89 89 17085 1 . ASN 90 90 17085 1 . ASN 91 91 17085 1 . ALA 92 92 17085 1 . PHE 93 93 17085 1 . THR 94 94 17085 1 . MET 95 95 17085 1 . PRO 96 96 17085 1 . LEU 97 97 17085 1 . HIS 98 98 17085 1 . MET 99 99 17085 1 . THR 100 100 17085 1 . PHE 101 101 17085 1 . TRP 102 102 17085 1 . GLY 103 103 17085 1 . LYS 104 104 17085 1 . GLU 105 105 17085 1 . GLU 106 106 17085 1 . ASN 107 107 17085 1 . ARG 108 108 17085 1 . LYS 109 109 17085 1 . ALA 110 110 17085 1 . VAL 111 111 17085 1 . SER 112 112 17085 1 . ASP 113 113 17085 1 . GLN 114 114 17085 1 . LEU 115 115 17085 1 . LYS 116 116 17085 1 . LYS 117 117 17085 1 . HIS 118 118 17085 1 . GLY 119 119 17085 1 . PHE 120 120 17085 1 . LYS 121 121 17085 1 . LEU 122 122 17085 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17085 _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 $HLTF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17085 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 17085 _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 $HLTF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a-LIC . . . . . . 17085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17085 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HLTF HIRAN domain' '[U-100% 13C; U-100% 15N]' . . 1 $HLTF . . 1-1.6 . . mM . . . . 17085 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17085 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17085 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17085 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17085 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 17085 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17085 1 pH 6.8 . pH 17085 1 pressure 1 . atm 17085 1 temperature 298 . K 17085 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17085 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17085 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17085 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17085 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17085 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17085 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17085 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17085 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17085 3 stop_ save_ save_Abacus _Software.Sf_category software _Software.Sf_framecode Abacus _Software.Entry_ID 17085 _Software.ID 4 _Software.Name ABACUS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak, Steren et al.' . . 17085 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17085 4 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 17085 _Software.ID 5 _Software.Name MDDNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jaravine and Orekhov' . . 17085 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17085 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17085 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17085 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17085 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17085 _NMR_spectrometer.ID 2 _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 17085 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17085 1 2 spectrometer_2 Bruker Avance . 600 . . . 17085 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 17085 _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 . . . . . . . . . . . . . . . . . . . . . 17085 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 10 '3D CC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 11 '3D aro-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 12 '3D aro-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 1 13 '2D aro-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17085 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 17085 _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 internal indirect 0.2514 . . . . . . . . . 17085 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0000 . . . . . . . . . 17085 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.1013 . . . . . . . . . 17085 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 17085 _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' . . . 17085 1 2 '2D 1H-13C HSQC' . . . 17085 1 3 '3D CBCA(CO)NH' . . . 17085 1 4 '3D HBHA(CO)NH' . . . 17085 1 5 '3D HNCA' . . . 17085 1 6 '3D HNCO' . . . 17085 1 7 '3D 1H-15N NOESY' . . . 17085 1 9 '3D HCCH-TOCSY' . . . 17085 1 12 '3D aro-TOCSY' . . . 17085 1 13 '2D aro-HSQC' . . . 17085 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 1 1 GLY HA2 H 1 3.522 0.04 . 2 . . . . 50 GLY HA2 . 17085 1 2 . 1 1 1 1 GLY HA3 H 1 3.522 0.04 . 2 . . . . 50 GLY HA3 . 17085 1 3 . 1 1 1 1 GLY C C 13 178.090 0.4 . 1 . . . . 50 GLY C . 17085 1 4 . 1 1 1 1 GLY CA C 13 46.708 0.40 . 1 . . . . 50 GLY CA . 17085 1 5 . 1 1 2 2 SER H H 1 7.959 0.04 . 1 . . . . 51 SER H . 17085 1 6 . 1 1 2 2 SER HB2 H 1 3.562 0.04 . 2 . . . . 51 SER HB2 . 17085 1 7 . 1 1 2 2 SER HB3 H 1 3.508 0.04 . 2 . . . . 51 SER HB3 . 17085 1 8 . 1 1 2 2 SER C C 13 178.882 0.4 . 1 . . . . 51 SER C . 17085 1 9 . 1 1 2 2 SER CB C 13 64.695 0.40 . 1 . . . . 51 SER CB . 17085 1 10 . 1 1 2 2 SER N N 15 121.553 0.40 . 1 . . . . 51 SER N . 17085 1 11 . 1 1 3 3 ASP H H 1 8.247 0.04 . 1 . . . . 52 ASP H . 17085 1 12 . 1 1 3 3 ASP HA H 1 4.227 0.04 . 1 . . . . 52 ASP HA . 17085 1 13 . 1 1 3 3 ASP HB2 H 1 2.369 0.04 . 2 . . . . 52 ASP HB2 . 17085 1 14 . 1 1 3 3 ASP HB3 H 1 2.283 0.04 . 2 . . . . 52 ASP HB3 . 17085 1 15 . 1 1 3 3 ASP C C 13 177.143 0.4 . 1 . . . . 52 ASP C . 17085 1 16 . 1 1 3 3 ASP CA C 13 55.760 0.40 . 1 . . . . 52 ASP CA . 17085 1 17 . 1 1 3 3 ASP CB C 13 41.591 0.40 . 1 . . . . 52 ASP CB . 17085 1 18 . 1 1 3 3 ASP N N 15 122.742 0.40 . 1 . . . . 52 ASP N . 17085 1 19 . 1 1 4 4 GLU H H 1 7.881 0.04 . 1 . . . . 53 GLU H . 17085 1 20 . 1 1 4 4 GLU HA H 1 3.919 0.04 . 1 . . . . 53 GLU HA . 17085 1 21 . 1 1 4 4 GLU HB2 H 1 1.708 0.04 . 2 . . . . 53 GLU HB2 . 17085 1 22 . 1 1 4 4 GLU HB3 H 1 1.587 0.04 . 2 . . . . 53 GLU HB3 . 17085 1 23 . 1 1 4 4 GLU HG2 H 1 1.892 0.04 . 2 . . . . 53 GLU HG2 . 17085 1 24 . 1 1 4 4 GLU HG3 H 1 1.892 0.04 . 2 . . . . 53 GLU HG3 . 17085 1 25 . 1 1 4 4 GLU C C 13 176.889 0.4 . 1 . . . . 53 GLU C . 17085 1 26 . 1 1 4 4 GLU CA C 13 57.764 0.40 . 1 . . . . 53 GLU CA . 17085 1 27 . 1 1 4 4 GLU CB C 13 31.140 0.40 . 1 . . . . 53 GLU CB . 17085 1 28 . 1 1 4 4 GLU CG C 13 37.243 0.40 . 1 . . . . 53 GLU CG . 17085 1 29 . 1 1 4 4 GLU N N 15 120.628 0.40 . 1 . . . . 53 GLU N . 17085 1 30 . 1 1 5 5 GLU H H 1 7.893 0.04 . 1 . . . . 54 GLU H . 17085 1 31 . 1 1 5 5 GLU HA H 1 3.982 0.04 . 1 . . . . 54 GLU HA . 17085 1 32 . 1 1 5 5 GLU HB2 H 1 1.704 0.04 . 2 . . . . 54 GLU HB2 . 17085 1 33 . 1 1 5 5 GLU HB3 H 1 1.588 0.04 . 2 . . . . 54 GLU HB3 . 17085 1 34 . 1 1 5 5 GLU HG2 H 1 1.928 0.04 . 2 . . . . 54 GLU HG2 . 17085 1 35 . 1 1 5 5 GLU HG3 H 1 1.870 0.04 . 2 . . . . 54 GLU HG3 . 17085 1 36 . 1 1 5 5 GLU C C 13 176.886 0.4 . 1 . . . . 54 GLU C . 17085 1 37 . 1 1 5 5 GLU CA C 13 57.218 0.40 . 1 . . . . 54 GLU CA . 17085 1 38 . 1 1 5 5 GLU CB C 13 30.941 0.40 . 1 . . . . 54 GLU CB . 17085 1 39 . 1 1 5 5 GLU CG C 13 36.994 0.40 . 1 . . . . 54 GLU CG . 17085 1 40 . 1 1 5 5 GLU N N 15 122.471 0.40 . 1 . . . . 54 GLU N . 17085 1 41 . 1 1 6 6 VAL H H 1 7.733 0.04 . 1 . . . . 55 VAL H . 17085 1 42 . 1 1 6 6 VAL HA H 1 3.819 0.04 . 1 . . . . 55 VAL HA . 17085 1 43 . 1 1 6 6 VAL HB H 1 1.780 0.04 . 1 . . . . 55 VAL HB . 17085 1 44 . 1 1 6 6 VAL HG11 H 1 0.623 0.04 . 1 . . . . 55 VAL HG1 . 17085 1 45 . 1 1 6 6 VAL HG12 H 1 0.623 0.04 . 1 . . . . 55 VAL HG1 . 17085 1 46 . 1 1 6 6 VAL HG13 H 1 0.623 0.04 . 1 . . . . 55 VAL HG1 . 17085 1 47 . 1 1 6 6 VAL HG21 H 1 0.613 0.04 . 1 . . . . 55 VAL HG2 . 17085 1 48 . 1 1 6 6 VAL HG22 H 1 0.613 0.04 . 1 . . . . 55 VAL HG2 . 17085 1 49 . 1 1 6 6 VAL HG23 H 1 0.613 0.04 . 1 . . . . 55 VAL HG2 . 17085 1 50 . 1 1 6 6 VAL C C 13 177.614 0.4 . 1 . . . . 55 VAL C . 17085 1 51 . 1 1 6 6 VAL CA C 13 63.175 0.40 . 1 . . . . 55 VAL CA . 17085 1 52 . 1 1 6 6 VAL CB C 13 33.819 0.40 . 1 . . . . 55 VAL CB . 17085 1 53 . 1 1 6 6 VAL CG1 C 13 22.142 0.40 . 1 . . . . 55 VAL CG1 . 17085 1 54 . 1 1 6 6 VAL CG2 C 13 21.192 0.40 . 1 . . . . 55 VAL CG2 . 17085 1 55 . 1 1 6 6 VAL N N 15 121.391 0.40 . 1 . . . . 55 VAL N . 17085 1 56 . 1 1 7 7 ASP H H 1 8.081 0.04 . 1 . . . . 56 ASP H . 17085 1 57 . 1 1 7 7 ASP HA H 1 4.323 0.04 . 1 . . . . 56 ASP HA . 17085 1 58 . 1 1 7 7 ASP HB2 H 1 2.386 0.04 . 2 . . . . 56 ASP HB2 . 17085 1 59 . 1 1 7 7 ASP HB3 H 1 2.333 0.04 . 2 . . . . 56 ASP HB3 . 17085 1 60 . 1 1 7 7 ASP C C 13 177.678 0.4 . 1 . . . . 56 ASP C . 17085 1 61 . 1 1 7 7 ASP CA C 13 55.082 0.40 . 1 . . . . 56 ASP CA . 17085 1 62 . 1 1 7 7 ASP CB C 13 41.712 0.40 . 1 . . . . 56 ASP CB . 17085 1 63 . 1 1 7 7 ASP N N 15 124.138 0.40 . 1 . . . . 56 ASP N . 17085 1 64 . 1 1 8 8 SER H H 1 7.606 0.04 . 1 . . . . 57 SER H . 17085 1 65 . 1 1 8 8 SER HA H 1 4.177 0.04 . 1 . . . . 57 SER HA . 17085 1 66 . 1 1 8 8 SER HB2 H 1 3.436 0.04 . 2 . . . . 57 SER HB2 . 17085 1 67 . 1 1 8 8 SER HB3 H 1 3.397 0.04 . 2 . . . . 57 SER HB3 . 17085 1 68 . 1 1 8 8 SER C C 13 179.782 0.4 . 1 . . . . 57 SER C . 17085 1 69 . 1 1 8 8 SER CA C 13 59.145 0.40 . 1 . . . . 57 SER CA . 17085 1 70 . 1 1 8 8 SER CB C 13 65.291 0.40 . 1 . . . . 57 SER CB . 17085 1 71 . 1 1 8 8 SER N N 15 116.590 0.40 . 1 . . . . 57 SER N . 17085 1 72 . 1 1 9 9 VAL H H 1 9.107 0.04 . 1 . . . . 58 VAL H . 17085 1 73 . 1 1 9 9 VAL HA H 1 4.346 0.04 . 1 . . . . 58 VAL HA . 17085 1 74 . 1 1 9 9 VAL HB H 1 1.889 0.04 . 1 . . . . 58 VAL HB . 17085 1 75 . 1 1 9 9 VAL HG11 H 1 0.724 0.04 . 1 . . . . 58 VAL HG1 . 17085 1 76 . 1 1 9 9 VAL HG12 H 1 0.724 0.04 . 1 . . . . 58 VAL HG1 . 17085 1 77 . 1 1 9 9 VAL HG13 H 1 0.724 0.04 . 1 . . . . 58 VAL HG1 . 17085 1 78 . 1 1 9 9 VAL HG21 H 1 0.684 0.04 . 1 . . . . 58 VAL HG2 . 17085 1 79 . 1 1 9 9 VAL HG22 H 1 0.684 0.04 . 1 . . . . 58 VAL HG2 . 17085 1 80 . 1 1 9 9 VAL HG23 H 1 0.684 0.04 . 1 . . . . 58 VAL HG2 . 17085 1 81 . 1 1 9 9 VAL C C 13 179.150 0.4 . 1 . . . . 58 VAL C . 17085 1 82 . 1 1 9 9 VAL CA C 13 60.713 0.40 . 1 . . . . 58 VAL CA . 17085 1 83 . 1 1 9 9 VAL CB C 13 35.705 0.40 . 1 . . . . 58 VAL CB . 17085 1 84 . 1 1 9 9 VAL CG1 C 13 22.509 0.40 . 1 . . . . 58 VAL CG1 . 17085 1 85 . 1 1 9 9 VAL CG2 C 13 19.936 0.40 . 1 . . . . 58 VAL CG2 . 17085 1 86 . 1 1 9 9 VAL N N 15 121.072 0.40 . 1 . . . . 58 VAL N . 17085 1 87 . 1 1 10 10 LEU H H 1 7.877 0.04 . 1 . . . . 59 LEU H . 17085 1 88 . 1 1 10 10 LEU HA H 1 3.222 0.04 . 1 . . . . 59 LEU HA . 17085 1 89 . 1 1 10 10 LEU HB2 H 1 1.161 0.04 . 2 . . . . 59 LEU HB2 . 17085 1 90 . 1 1 10 10 LEU HB3 H 1 0.370 0.04 . 2 . . . . 59 LEU HB3 . 17085 1 91 . 1 1 10 10 LEU HD11 H 1 0.341 0.04 . 1 . . . . 59 LEU HD1 . 17085 1 92 . 1 1 10 10 LEU HD12 H 1 0.341 0.04 . 1 . . . . 59 LEU HD1 . 17085 1 93 . 1 1 10 10 LEU HD13 H 1 0.341 0.04 . 1 . . . . 59 LEU HD1 . 17085 1 94 . 1 1 10 10 LEU HD21 H 1 -0.241 0.04 . 1 . . . . 59 LEU HD2 . 17085 1 95 . 1 1 10 10 LEU HD22 H 1 -0.241 0.04 . 1 . . . . 59 LEU HD2 . 17085 1 96 . 1 1 10 10 LEU HD23 H 1 -0.241 0.04 . 1 . . . . 59 LEU HD2 . 17085 1 97 . 1 1 10 10 LEU HG H 1 0.512 0.04 . 1 . . . . 59 LEU HG . 17085 1 98 . 1 1 10 10 LEU C C 13 175.551 0.4 . 1 . . . . 59 LEU C . 17085 1 99 . 1 1 10 10 LEU CA C 13 55.461 0.40 . 1 . . . . 59 LEU CA . 17085 1 100 . 1 1 10 10 LEU CB C 13 42.537 0.40 . 1 . . . . 59 LEU CB . 17085 1 101 . 1 1 10 10 LEU CD1 C 13 26.779 0.40 . 1 . . . . 59 LEU CD1 . 17085 1 102 . 1 1 10 10 LEU CD2 C 13 23.063 0.40 . 1 . . . . 59 LEU CD2 . 17085 1 103 . 1 1 10 10 LEU CG C 13 27.292 0.40 . 1 . . . . 59 LEU CG . 17085 1 104 . 1 1 10 10 LEU N N 15 124.358 0.40 . 1 . . . . 59 LEU N . 17085 1 105 . 1 1 11 11 PHE H H 1 8.863 0.04 . 1 . . . . 60 PHE H . 17085 1 106 . 1 1 11 11 PHE HA H 1 4.628 0.04 . 1 . . . . 60 PHE HA . 17085 1 107 . 1 1 11 11 PHE HB2 H 1 2.774 0.04 . 2 . . . . 60 PHE HB2 . 17085 1 108 . 1 1 11 11 PHE HB3 H 1 2.534 0.04 . 2 . . . . 60 PHE HB3 . 17085 1 109 . 1 1 11 11 PHE HD1 H 1 6.802 0.04 . 1 . . . . 60 PHE HD1 . 17085 1 110 . 1 1 11 11 PHE HD2 H 1 7.228 0.04 . 3 . . . . 60 PHE HD2 . 17085 1 111 . 1 1 11 11 PHE HE1 H 1 6.421 0.04 . 1 . . . . 60 PHE HE1 . 17085 1 112 . 1 1 11 11 PHE C C 13 177.111 0.4 . 1 . . . . 60 PHE C . 17085 1 113 . 1 1 11 11 PHE CA C 13 55.697 0.40 . 1 . . . . 60 PHE CA . 17085 1 114 . 1 1 11 11 PHE CB C 13 38.649 0.40 . 1 . . . . 60 PHE CB . 17085 1 115 . 1 1 11 11 PHE CD1 C 13 131.378 0.40 . 1 . . . . 60 PHE CD1 . 17085 1 116 . 1 1 11 11 PHE CD2 C 13 129.694 0.40 . 1 . . . . 60 PHE CD2 . 17085 1 117 . 1 1 11 11 PHE CE1 C 13 128.204 0.40 . 1 . . . . 60 PHE CE1 . 17085 1 118 . 1 1 11 11 PHE N N 15 127.861 0.40 . 1 . . . . 60 PHE N . 17085 1 119 . 1 1 12 12 GLY H H 1 6.783 0.04 . 1 . . . . 61 GLY H . 17085 1 120 . 1 1 12 12 GLY HA2 H 1 4.272 0.04 . 2 . . . . 61 GLY HA2 . 17085 1 121 . 1 1 12 12 GLY HA3 H 1 3.439 0.04 . 2 . . . . 61 GLY HA3 . 17085 1 122 . 1 1 12 12 GLY C C 13 170.891 0.4 . 1 . . . . 61 GLY C . 17085 1 123 . 1 1 12 12 GLY CA C 13 45.205 0.40 . 1 . . . . 61 GLY CA . 17085 1 124 . 1 1 12 12 GLY N N 15 104.234 0.40 . 1 . . . . 61 GLY N . 17085 1 125 . 1 1 13 13 SER H H 1 8.529 0.04 . 1 . . . . 62 SER H . 17085 1 126 . 1 1 13 13 SER HA H 1 5.418 0.04 . 1 . . . . 62 SER HA . 17085 1 127 . 1 1 13 13 SER HB2 H 1 3.378 0.04 . 2 . . . . 62 SER HB2 . 17085 1 128 . 1 1 13 13 SER HB3 H 1 3.267 0.04 . 2 . . . . 62 SER HB3 . 17085 1 129 . 1 1 13 13 SER C C 13 181.522 0.4 . 1 . . . . 62 SER C . 17085 1 130 . 1 1 13 13 SER CA C 13 57.826 0.40 . 1 . . . . 62 SER CA . 17085 1 131 . 1 1 13 13 SER CB C 13 68.082 0.40 . 1 . . . . 62 SER CB . 17085 1 132 . 1 1 13 13 SER N N 15 115.335 0.40 . 1 . . . . 62 SER N . 17085 1 133 . 1 1 14 14 LEU H H 1 8.621 0.04 . 1 . . . . 63 LEU H . 17085 1 134 . 1 1 14 14 LEU HA H 1 4.335 0.04 . 1 . . . . 63 LEU HA . 17085 1 135 . 1 1 14 14 LEU HB2 H 1 1.430 0.04 . 2 . . . . 63 LEU HB2 . 17085 1 136 . 1 1 14 14 LEU HB3 H 1 1.127 0.04 . 2 . . . . 63 LEU HB3 . 17085 1 137 . 1 1 14 14 LEU HD21 H 1 0.549 0.04 . 1 . . . . 63 LEU HD2 . 17085 1 138 . 1 1 14 14 LEU HD22 H 1 0.549 0.04 . 1 . . . . 63 LEU HD2 . 17085 1 139 . 1 1 14 14 LEU HD23 H 1 0.549 0.04 . 1 . . . . 63 LEU HD2 . 17085 1 140 . 1 1 14 14 LEU HG H 1 0.327 0.04 . 1 . . . . 63 LEU HG . 17085 1 141 . 1 1 14 14 LEU C C 13 178.806 0.4 . 1 . . . . 63 LEU C . 17085 1 142 . 1 1 14 14 LEU CA C 13 55.141 0.40 . 1 . . . . 63 LEU CA . 17085 1 143 . 1 1 14 14 LEU CB C 13 48.540 0.40 . 1 . . . . 63 LEU CB . 17085 1 144 . 1 1 14 14 LEU CD2 C 13 25.368 0.40 . 1 . . . . 63 LEU CD2 . 17085 1 145 . 1 1 14 14 LEU CG C 13 27.299 0.40 . 1 . . . . 63 LEU CG . 17085 1 146 . 1 1 14 14 LEU N N 15 121.002 0.40 . 1 . . . . 63 LEU N . 17085 1 147 . 1 1 15 15 ARG H H 1 8.280 0.04 . 1 . . . . 64 ARG H . 17085 1 148 . 1 1 15 15 ARG HA H 1 4.731 0.04 . 1 . . . . 64 ARG HA . 17085 1 149 . 1 1 15 15 ARG HB2 H 1 1.622 0.04 . 2 . . . . 64 ARG HB2 . 17085 1 150 . 1 1 15 15 ARG HB3 H 1 1.519 0.04 . 2 . . . . 64 ARG HB3 . 17085 1 151 . 1 1 15 15 ARG HD2 H 1 2.898 0.04 . 2 . . . . 64 ARG HD2 . 17085 1 152 . 1 1 15 15 ARG HD3 H 1 2.852 0.04 . 2 . . . . 64 ARG HD3 . 17085 1 153 . 1 1 15 15 ARG HG2 H 1 1.220 0.04 . 2 . . . . 64 ARG HG2 . 17085 1 154 . 1 1 15 15 ARG HG3 H 1 1.175 0.04 . 2 . . . . 64 ARG HG3 . 17085 1 155 . 1 1 15 15 ARG C C 13 177.593 0.4 . 1 . . . . 64 ARG C . 17085 1 156 . 1 1 15 15 ARG CA C 13 55.706 0.40 . 1 . . . . 64 ARG CA . 17085 1 157 . 1 1 15 15 ARG CB C 13 31.545 0.40 . 1 . . . . 64 ARG CB . 17085 1 158 . 1 1 15 15 ARG CD C 13 43.811 0.40 . 1 . . . . 64 ARG CD . 17085 1 159 . 1 1 15 15 ARG CG C 13 28.282 0.40 . 1 . . . . 64 ARG CG . 17085 1 160 . 1 1 15 15 ARG N N 15 125.228 0.40 . 1 . . . . 64 ARG N . 17085 1 161 . 1 1 16 16 GLY H H 1 8.474 0.04 . 1 . . . . 65 GLY H . 17085 1 162 . 1 1 16 16 GLY HA2 H 1 4.287 0.04 . 2 . . . . 65 GLY HA2 . 17085 1 163 . 1 1 16 16 GLY HA3 H 1 3.069 0.04 . 2 . . . . 65 GLY HA3 . 17085 1 164 . 1 1 16 16 GLY C C 13 180.729 0.4 . 1 . . . . 65 GLY C . 17085 1 165 . 1 1 16 16 GLY CA C 13 45.570 0.40 . 1 . . . . 65 GLY CA . 17085 1 166 . 1 1 16 16 GLY N N 15 112.391 0.40 . 1 . . . . 65 GLY N . 17085 1 167 . 1 1 17 17 HIS H H 1 6.777 0.04 . 1 . . . . 66 HIS H . 17085 1 168 . 1 1 17 17 HIS HA H 1 4.983 0.04 . 1 . . . . 66 HIS HA . 17085 1 169 . 1 1 17 17 HIS HB2 H 1 2.611 0.04 . 2 . . . . 66 HIS HB2 . 17085 1 170 . 1 1 17 17 HIS HB3 H 1 2.363 0.04 . 2 . . . . 66 HIS HB3 . 17085 1 171 . 1 1 17 17 HIS C C 13 179.755 0.4 . 1 . . . . 66 HIS C . 17085 1 172 . 1 1 17 17 HIS CA C 13 57.869 0.40 . 1 . . . . 66 HIS CA . 17085 1 173 . 1 1 17 17 HIS CB C 13 35.369 0.40 . 1 . . . . 66 HIS CB . 17085 1 174 . 1 1 17 17 HIS N N 15 117.433 0.40 . 1 . . . . 66 HIS N . 17085 1 175 . 1 1 18 18 VAL H H 1 9.244 0.04 . 1 . . . . 67 VAL H . 17085 1 176 . 1 1 18 18 VAL HA H 1 4.074 0.04 . 1 . . . . 67 VAL HA . 17085 1 177 . 1 1 18 18 VAL HB H 1 1.796 0.04 . 1 . . . . 67 VAL HB . 17085 1 178 . 1 1 18 18 VAL HG11 H 1 0.485 0.04 . 1 . . . . 67 VAL HG1 . 17085 1 179 . 1 1 18 18 VAL HG12 H 1 0.485 0.04 . 1 . . . . 67 VAL HG1 . 17085 1 180 . 1 1 18 18 VAL HG13 H 1 0.485 0.04 . 1 . . . . 67 VAL HG1 . 17085 1 181 . 1 1 18 18 VAL HG21 H 1 0.505 0.04 . 1 . . . . 67 VAL HG2 . 17085 1 182 . 1 1 18 18 VAL HG22 H 1 0.505 0.04 . 1 . . . . 67 VAL HG2 . 17085 1 183 . 1 1 18 18 VAL HG23 H 1 0.505 0.04 . 1 . . . . 67 VAL HG2 . 17085 1 184 . 1 1 18 18 VAL CA C 13 62.392 0.40 . 1 . . . . 67 VAL CA . 17085 1 185 . 1 1 18 18 VAL CB C 13 33.106 0.40 . 1 . . . . 67 VAL CB . 17085 1 186 . 1 1 18 18 VAL CG1 C 13 22.414 0.40 . 1 . . . . 67 VAL CG1 . 17085 1 187 . 1 1 18 18 VAL CG2 C 13 24.032 0.40 . 1 . . . . 67 VAL CG2 . 17085 1 188 . 1 1 18 18 VAL N N 15 124.089 0.40 . 1 . . . . 67 VAL N . 17085 1 189 . 1 1 19 19 VAL HA H 1 4.964 0.04 . 1 . . . . 68 VAL HA . 17085 1 190 . 1 1 19 19 VAL HB H 1 2.355 0.04 . 1 . . . . 68 VAL HB . 17085 1 191 . 1 1 19 19 VAL HG11 H 1 0.775 0.04 . 1 . . . . 68 VAL HG1 . 17085 1 192 . 1 1 19 19 VAL HG12 H 1 0.775 0.04 . 1 . . . . 68 VAL HG1 . 17085 1 193 . 1 1 19 19 VAL HG13 H 1 0.775 0.04 . 1 . . . . 68 VAL HG1 . 17085 1 194 . 1 1 19 19 VAL HG21 H 1 0.775 0.04 . 1 . . . . 68 VAL HG2 . 17085 1 195 . 1 1 19 19 VAL HG22 H 1 0.775 0.04 . 1 . . . . 68 VAL HG2 . 17085 1 196 . 1 1 19 19 VAL HG23 H 1 0.775 0.04 . 1 . . . . 68 VAL HG2 . 17085 1 197 . 1 1 19 19 VAL CA C 13 60.068 0.40 . 1 . . . . 68 VAL CA . 17085 1 198 . 1 1 19 19 VAL CB C 13 35.803 0.40 . 1 . . . . 68 VAL CB . 17085 1 199 . 1 1 19 19 VAL CG1 C 13 22.555 0.40 . 1 . . . . 68 VAL CG1 . 17085 1 200 . 1 1 19 19 VAL CG2 C 13 19.011 0.40 . 1 . . . . 68 VAL CG2 . 17085 1 201 . 1 1 20 20 GLY HA2 H 1 3.632 0.04 . 2 . . . . 69 GLY HA2 . 17085 1 202 . 1 1 20 20 GLY HA3 H 1 3.632 0.04 . 2 . . . . 69 GLY HA3 . 17085 1 203 . 1 1 20 20 GLY C C 13 179.591 0.4 . 1 . . . . 69 GLY C . 17085 1 204 . 1 1 20 20 GLY CA C 13 46.142 0.40 . 1 . . . . 69 GLY CA . 17085 1 205 . 1 1 21 21 LEU H H 1 7.733 0.04 . 1 . . . . 70 LEU H . 17085 1 206 . 1 1 21 21 LEU HA H 1 4.026 0.04 . 1 . . . . 70 LEU HA . 17085 1 207 . 1 1 21 21 LEU HB2 H 1 1.267 0.04 . 2 . . . . 70 LEU HB2 . 17085 1 208 . 1 1 21 21 LEU HB3 H 1 1.220 0.04 . 2 . . . . 70 LEU HB3 . 17085 1 209 . 1 1 21 21 LEU HD11 H 1 0.565 0.04 . 1 . . . . 70 LEU HD1 . 17085 1 210 . 1 1 21 21 LEU HD12 H 1 0.565 0.04 . 1 . . . . 70 LEU HD1 . 17085 1 211 . 1 1 21 21 LEU HD13 H 1 0.565 0.04 . 1 . . . . 70 LEU HD1 . 17085 1 212 . 1 1 21 21 LEU HD21 H 1 0.514 0.04 . 1 . . . . 70 LEU HD2 . 17085 1 213 . 1 1 21 21 LEU HD22 H 1 0.514 0.04 . 1 . . . . 70 LEU HD2 . 17085 1 214 . 1 1 21 21 LEU HD23 H 1 0.514 0.04 . 1 . . . . 70 LEU HD2 . 17085 1 215 . 1 1 21 21 LEU HG H 1 1.226 0.04 . 1 . . . . 70 LEU HG . 17085 1 216 . 1 1 21 21 LEU C C 13 176.298 0.4 . 1 . . . . 70 LEU C . 17085 1 217 . 1 1 21 21 LEU CA C 13 56.004 0.40 . 1 . . . . 70 LEU CA . 17085 1 218 . 1 1 21 21 LEU CB C 13 43.281 0.40 . 1 . . . . 70 LEU CB . 17085 1 219 . 1 1 21 21 LEU CD1 C 13 25.714 0.40 . 1 . . . . 70 LEU CD1 . 17085 1 220 . 1 1 21 21 LEU CD2 C 13 24.368 0.40 . 1 . . . . 70 LEU CD2 . 17085 1 221 . 1 1 21 21 LEU CG C 13 27.760 0.40 . 1 . . . . 70 LEU CG . 17085 1 222 . 1 1 21 21 LEU N N 15 122.544 0.40 . 1 . . . . 70 LEU N . 17085 1 223 . 1 1 22 22 ARG H H 1 7.742 0.04 . 1 . . . . 71 ARG H . 17085 1 224 . 1 1 22 22 ARG HA H 1 4.078 0.04 . 1 . . . . 71 ARG HA . 17085 1 225 . 1 1 22 22 ARG HB2 H 1 1.729 0.04 . 2 . . . . 71 ARG HB2 . 17085 1 226 . 1 1 22 22 ARG HB3 H 1 1.729 0.04 . 2 . . . . 71 ARG HB3 . 17085 1 227 . 1 1 22 22 ARG CA C 13 60.662 0.40 . 1 . . . . 71 ARG CA . 17085 1 228 . 1 1 22 22 ARG CB C 13 33.603 0.40 . 1 . . . . 71 ARG CB . 17085 1 229 . 1 1 22 22 ARG N N 15 123.705 0.40 . 1 . . . . 71 ARG N . 17085 1 230 . 1 1 23 23 TYR HA H 1 4.273 0.04 . 1 . . . . 72 TYR HA . 17085 1 231 . 1 1 23 23 TYR HB2 H 1 2.756 0.04 . 2 . . . . 72 TYR HB2 . 17085 1 232 . 1 1 23 23 TYR HB3 H 1 2.756 0.04 . 2 . . . . 72 TYR HB3 . 17085 1 233 . 1 1 23 23 TYR CA C 13 56.774 0.40 . 1 . . . . 72 TYR CA . 17085 1 234 . 1 1 23 23 TYR CB C 13 30.965 0.40 . 1 . . . . 72 TYR CB . 17085 1 235 . 1 1 24 24 TYR HA H 1 4.532 0.04 . 1 . . . . 73 TYR HA . 17085 1 236 . 1 1 24 24 TYR C C 13 177.629 0.4 . 1 . . . . 73 TYR C . 17085 1 237 . 1 1 24 24 TYR CA C 13 57.960 0.40 . 1 . . . . 73 TYR CA . 17085 1 238 . 1 1 25 25 THR H H 1 8.286 0.04 . 1 . . . . 74 THR H . 17085 1 239 . 1 1 25 25 THR HA H 1 4.346 0.04 . 1 . . . . 74 THR HA . 17085 1 240 . 1 1 25 25 THR HB H 1 4.186 0.04 . 1 . . . . 74 THR HB . 17085 1 241 . 1 1 25 25 THR HG21 H 1 0.827 0.04 . 1 . . . . 74 THR HG2 . 17085 1 242 . 1 1 25 25 THR HG22 H 1 0.827 0.04 . 1 . . . . 74 THR HG2 . 17085 1 243 . 1 1 25 25 THR HG23 H 1 0.827 0.04 . 1 . . . . 74 THR HG2 . 17085 1 244 . 1 1 25 25 THR C C 13 177.196 0.4 . 1 . . . . 74 THR C . 17085 1 245 . 1 1 25 25 THR CA C 13 61.860 0.40 . 1 . . . . 74 THR CA . 17085 1 246 . 1 1 25 25 THR CB C 13 70.826 0.40 . 1 . . . . 74 THR CB . 17085 1 247 . 1 1 25 25 THR CG2 C 13 22.459 0.40 . 1 . . . . 74 THR CG2 . 17085 1 248 . 1 1 25 25 THR N N 15 108.151 0.40 . 1 . . . . 74 THR N . 17085 1 249 . 1 1 26 26 GLY H H 1 7.524 0.04 . 1 . . . . 75 GLY H . 17085 1 250 . 1 1 26 26 GLY HA2 H 1 3.615 0.04 . 2 . . . . 75 GLY HA2 . 17085 1 251 . 1 1 26 26 GLY HA3 H 1 2.791 0.04 . 2 . . . . 75 GLY HA3 . 17085 1 252 . 1 1 26 26 GLY C C 13 176.403 0.4 . 1 . . . . 75 GLY C . 17085 1 253 . 1 1 26 26 GLY CA C 13 47.087 0.40 . 1 . . . . 75 GLY CA . 17085 1 254 . 1 1 26 26 GLY N N 15 111.582 0.40 . 1 . . . . 75 GLY N . 17085 1 255 . 1 1 27 27 VAL H H 1 7.638 0.04 . 1 . . . . 76 VAL H . 17085 1 256 . 1 1 27 27 VAL HA H 1 4.109 0.04 . 1 . . . . 76 VAL HA . 17085 1 257 . 1 1 27 27 VAL HB H 1 1.660 0.04 . 1 . . . . 76 VAL HB . 17085 1 258 . 1 1 27 27 VAL HG11 H 1 0.532 0.04 . 1 . . . . 76 VAL HG1 . 17085 1 259 . 1 1 27 27 VAL HG12 H 1 0.532 0.04 . 1 . . . . 76 VAL HG1 . 17085 1 260 . 1 1 27 27 VAL HG13 H 1 0.532 0.04 . 1 . . . . 76 VAL HG1 . 17085 1 261 . 1 1 27 27 VAL HG21 H 1 0.576 0.04 . 1 . . . . 76 VAL HG2 . 17085 1 262 . 1 1 27 27 VAL HG22 H 1 0.576 0.04 . 1 . . . . 76 VAL HG2 . 17085 1 263 . 1 1 27 27 VAL HG23 H 1 0.576 0.04 . 1 . . . . 76 VAL HG2 . 17085 1 264 . 1 1 27 27 VAL C C 13 177.411 0.4 . 1 . . . . 76 VAL C . 17085 1 265 . 1 1 27 27 VAL CA C 13 61.916 0.40 . 1 . . . . 76 VAL CA . 17085 1 266 . 1 1 27 27 VAL CB C 13 35.308 0.40 . 1 . . . . 76 VAL CB . 17085 1 267 . 1 1 27 27 VAL CG1 C 13 22.202 0.40 . 1 . . . . 76 VAL CG1 . 17085 1 268 . 1 1 27 27 VAL CG2 C 13 21.026 0.40 . 1 . . . . 76 VAL CG2 . 17085 1 269 . 1 1 27 27 VAL N N 15 122.582 0.40 . 1 . . . . 76 VAL N . 17085 1 270 . 1 1 28 28 VAL H H 1 8.347 0.04 . 1 . . . . 77 VAL H . 17085 1 271 . 1 1 28 28 VAL HA H 1 4.041 0.04 . 1 . . . . 77 VAL HA . 17085 1 272 . 1 1 28 28 VAL HB H 1 1.537 0.04 . 1 . . . . 77 VAL HB . 17085 1 273 . 1 1 28 28 VAL HG11 H 1 0.593 0.04 . 1 . . . . 77 VAL HG1 . 17085 1 274 . 1 1 28 28 VAL HG12 H 1 0.593 0.04 . 1 . . . . 77 VAL HG1 . 17085 1 275 . 1 1 28 28 VAL HG13 H 1 0.593 0.04 . 1 . . . . 77 VAL HG1 . 17085 1 276 . 1 1 28 28 VAL HG21 H 1 0.535 0.04 . 1 . . . . 77 VAL HG2 . 17085 1 277 . 1 1 28 28 VAL HG22 H 1 0.535 0.04 . 1 . . . . 77 VAL HG2 . 17085 1 278 . 1 1 28 28 VAL HG23 H 1 0.535 0.04 . 1 . . . . 77 VAL HG2 . 17085 1 279 . 1 1 28 28 VAL C C 13 180.017 0.4 . 1 . . . . 77 VAL C . 17085 1 280 . 1 1 28 28 VAL CA C 13 61.338 0.40 . 1 . . . . 77 VAL CA . 17085 1 281 . 1 1 28 28 VAL CB C 13 36.390 0.40 . 1 . . . . 77 VAL CB . 17085 1 282 . 1 1 28 28 VAL CG1 C 13 22.833 0.40 . 1 . . . . 77 VAL CG1 . 17085 1 283 . 1 1 28 28 VAL CG2 C 13 22.825 0.40 . 1 . . . . 77 VAL CG2 . 17085 1 284 . 1 1 28 28 VAL N N 15 124.187 0.40 . 1 . . . . 77 VAL N . 17085 1 285 . 1 1 29 29 ASN H H 1 7.565 0.04 . 1 . . . . 78 ASN H . 17085 1 286 . 1 1 29 29 ASN HA H 1 4.515 0.04 . 1 . . . . 78 ASN HA . 17085 1 287 . 1 1 29 29 ASN HB2 H 1 2.361 0.04 . 2 . . . . 78 ASN HB2 . 17085 1 288 . 1 1 29 29 ASN HB3 H 1 2.067 0.04 . 2 . . . . 78 ASN HB3 . 17085 1 289 . 1 1 29 29 ASN HD21 H 1 6.466 0.04 . 1 . . . . 78 ASN HD21 . 17085 1 290 . 1 1 29 29 ASN HD22 H 1 7.674 0.04 . 2 . . . . 78 ASN HD22 . 17085 1 291 . 1 1 29 29 ASN C C 13 179.706 0.4 . 1 . . . . 78 ASN C . 17085 1 292 . 1 1 29 29 ASN CA C 13 52.258 0.40 . 1 . . . . 78 ASN CA . 17085 1 293 . 1 1 29 29 ASN CB C 13 42.030 0.40 . 1 . . . . 78 ASN CB . 17085 1 294 . 1 1 29 29 ASN N N 15 122.162 0.40 . 1 . . . . 78 ASN N . 17085 1 295 . 1 1 29 29 ASN ND2 N 15 116.655 0.04 . 1 . . . . 78 ASN ND2 . 17085 1 296 . 1 1 30 30 ASN H H 1 8.022 0.04 . 1 . . . . 79 ASN H . 17085 1 297 . 1 1 30 30 ASN HA H 1 3.777 0.04 . 1 . . . . 79 ASN HA . 17085 1 298 . 1 1 30 30 ASN HB2 H 1 2.245 0.04 . 2 . . . . 79 ASN HB2 . 17085 1 299 . 1 1 30 30 ASN HB3 H 1 2.245 0.04 . 2 . . . . 79 ASN HB3 . 17085 1 300 . 1 1 30 30 ASN HD21 H 1 6.613 0.04 . 1 . . . . 79 ASN HD21 . 17085 1 301 . 1 1 30 30 ASN HD22 H 1 7.182 0.04 . 2 . . . . 79 ASN HD22 . 17085 1 302 . 1 1 30 30 ASN C C 13 177.084 0.4 . 1 . . . . 79 ASN C . 17085 1 303 . 1 1 30 30 ASN CA C 13 55.862 0.40 . 1 . . . . 79 ASN CA . 17085 1 304 . 1 1 30 30 ASN CB C 13 39.041 0.40 . 1 . . . . 79 ASN CB . 17085 1 305 . 1 1 30 30 ASN N N 15 117.295 0.40 . 1 . . . . 79 ASN N . 17085 1 306 . 1 1 30 30 ASN ND2 N 15 112.254 0.04 . 1 . . . . 79 ASN ND2 . 17085 1 307 . 1 1 31 31 ASN H H 1 8.602 0.04 . 1 . . . . 80 ASN H . 17085 1 308 . 1 1 31 31 ASN HA H 1 3.829 0.04 . 1 . . . . 80 ASN HA . 17085 1 309 . 1 1 31 31 ASN HB2 H 1 2.703 0.04 . 2 . . . . 80 ASN HB2 . 17085 1 310 . 1 1 31 31 ASN HB3 H 1 2.475 0.04 . 2 . . . . 80 ASN HB3 . 17085 1 311 . 1 1 31 31 ASN HD21 H 1 6.384 0.04 . 1 . . . . 80 ASN HD21 . 17085 1 312 . 1 1 31 31 ASN HD22 H 1 7.169 0.04 . 2 . . . . 80 ASN HD22 . 17085 1 313 . 1 1 31 31 ASN C C 13 179.796 0.4 . 1 . . . . 80 ASN C . 17085 1 314 . 1 1 31 31 ASN CA C 13 55.864 0.40 . 1 . . . . 80 ASN CA . 17085 1 315 . 1 1 31 31 ASN CB C 13 38.400 0.40 . 1 . . . . 80 ASN CB . 17085 1 316 . 1 1 31 31 ASN N N 15 117.560 0.40 . 1 . . . . 80 ASN N . 17085 1 317 . 1 1 31 31 ASN ND2 N 15 112.817 0.04 . 1 . . . . 80 ASN ND2 . 17085 1 318 . 1 1 32 32 GLU H H 1 7.187 0.04 . 1 . . . . 81 GLU H . 17085 1 319 . 1 1 32 32 GLU HA H 1 4.052 0.04 . 1 . . . . 81 GLU HA . 17085 1 320 . 1 1 32 32 GLU HB2 H 1 1.811 0.04 . 2 . . . . 81 GLU HB2 . 17085 1 321 . 1 1 32 32 GLU HB3 H 1 1.617 0.04 . 2 . . . . 81 GLU HB3 . 17085 1 322 . 1 1 32 32 GLU HG2 H 1 2.153 0.04 . 2 . . . . 81 GLU HG2 . 17085 1 323 . 1 1 32 32 GLU HG3 H 1 1.925 0.04 . 2 . . . . 81 GLU HG3 . 17085 1 324 . 1 1 32 32 GLU C C 13 178.208 0.4 . 1 . . . . 81 GLU C . 17085 1 325 . 1 1 32 32 GLU CA C 13 56.925 0.40 . 1 . . . . 81 GLU CA . 17085 1 326 . 1 1 32 32 GLU CB C 13 33.586 0.40 . 1 . . . . 81 GLU CB . 17085 1 327 . 1 1 32 32 GLU CG C 13 38.800 0.40 . 1 . . . . 81 GLU CG . 17085 1 328 . 1 1 32 32 GLU N N 15 120.046 0.40 . 1 . . . . 81 GLU N . 17085 1 329 . 1 1 33 33 MET H H 1 7.824 0.04 . 1 . . . . 82 MET H . 17085 1 330 . 1 1 33 33 MET HA H 1 4.623 0.04 . 1 . . . . 82 MET HA . 17085 1 331 . 1 1 33 33 MET HB2 H 1 1.750 0.04 . 2 . . . . 82 MET HB2 . 17085 1 332 . 1 1 33 33 MET HB3 H 1 1.713 0.04 . 2 . . . . 82 MET HB3 . 17085 1 333 . 1 1 33 33 MET HE1 H 1 1.725 0.04 . 1 . . . . 82 MET HE . 17085 1 334 . 1 1 33 33 MET HE2 H 1 1.725 0.04 . 1 . . . . 82 MET HE . 17085 1 335 . 1 1 33 33 MET HE3 H 1 1.725 0.04 . 1 . . . . 82 MET HE . 17085 1 336 . 1 1 33 33 MET HG2 H 1 2.335 0.04 . 2 . . . . 82 MET HG2 . 17085 1 337 . 1 1 33 33 MET HG3 H 1 2.288 0.04 . 2 . . . . 82 MET HG3 . 17085 1 338 . 1 1 33 33 MET C C 13 178.123 0.4 . 1 . . . . 82 MET C . 17085 1 339 . 1 1 33 33 MET CA C 13 56.549 0.40 . 1 . . . . 82 MET CA . 17085 1 340 . 1 1 33 33 MET CB C 13 34.461 0.40 . 1 . . . . 82 MET CB . 17085 1 341 . 1 1 33 33 MET CE C 13 17.832 0.40 . 1 . . . . 82 MET CE . 17085 1 342 . 1 1 33 33 MET CG C 13 32.906 0.40 . 1 . . . . 82 MET CG . 17085 1 343 . 1 1 33 33 MET N N 15 121.992 0.40 . 1 . . . . 82 MET N . 17085 1 344 . 1 1 34 34 VAL H H 1 7.359 0.04 . 1 . . . . 83 VAL H . 17085 1 345 . 1 1 34 34 VAL HA H 1 4.256 0.04 . 1 . . . . 83 VAL HA . 17085 1 346 . 1 1 34 34 VAL HB H 1 1.791 0.04 . 1 . . . . 83 VAL HB . 17085 1 347 . 1 1 34 34 VAL HG11 H 1 0.349 0.04 . 1 . . . . 83 VAL HG1 . 17085 1 348 . 1 1 34 34 VAL HG12 H 1 0.349 0.04 . 1 . . . . 83 VAL HG1 . 17085 1 349 . 1 1 34 34 VAL HG13 H 1 0.349 0.04 . 1 . . . . 83 VAL HG1 . 17085 1 350 . 1 1 34 34 VAL HG21 H 1 0.070 0.04 . 1 . . . . 83 VAL HG2 . 17085 1 351 . 1 1 34 34 VAL HG22 H 1 0.070 0.04 . 1 . . . . 83 VAL HG2 . 17085 1 352 . 1 1 34 34 VAL HG23 H 1 0.070 0.04 . 1 . . . . 83 VAL HG2 . 17085 1 353 . 1 1 34 34 VAL C C 13 179.442 0.4 . 1 . . . . 83 VAL C . 17085 1 354 . 1 1 34 34 VAL CA C 13 59.754 0.40 . 1 . . . . 83 VAL CA . 17085 1 355 . 1 1 34 34 VAL CB C 13 34.831 0.40 . 1 . . . . 83 VAL CB . 17085 1 356 . 1 1 34 34 VAL CG1 C 13 23.451 0.40 . 1 . . . . 83 VAL CG1 . 17085 1 357 . 1 1 34 34 VAL CG2 C 13 19.365 0.40 . 1 . . . . 83 VAL CG2 . 17085 1 358 . 1 1 34 34 VAL N N 15 112.575 0.40 . 1 . . . . 83 VAL N . 17085 1 359 . 1 1 35 35 ALA H H 1 8.542 0.04 . 1 . . . . 84 ALA H . 17085 1 360 . 1 1 35 35 ALA HA H 1 4.400 0.04 . 1 . . . . 84 ALA HA . 17085 1 361 . 1 1 35 35 ALA HB1 H 1 0.876 0.04 . 1 . . . . 84 ALA HB . 17085 1 362 . 1 1 35 35 ALA HB2 H 1 0.876 0.04 . 1 . . . . 84 ALA HB . 17085 1 363 . 1 1 35 35 ALA HB3 H 1 0.876 0.04 . 1 . . . . 84 ALA HB . 17085 1 364 . 1 1 35 35 ALA C C 13 177.558 0.4 . 1 . . . . 84 ALA C . 17085 1 365 . 1 1 35 35 ALA CA C 13 51.358 0.40 . 1 . . . . 84 ALA CA . 17085 1 366 . 1 1 35 35 ALA CB C 13 22.751 0.40 . 1 . . . . 84 ALA CB . 17085 1 367 . 1 1 35 35 ALA N N 15 124.069 0.40 . 1 . . . . 84 ALA N . 17085 1 368 . 1 1 36 36 LEU H H 1 8.087 0.04 . 1 . . . . 85 LEU H . 17085 1 369 . 1 1 36 36 LEU HA H 1 4.693 0.04 . 1 . . . . 85 LEU HA . 17085 1 370 . 1 1 36 36 LEU HB2 H 1 0.752 0.04 . 2 . . . . 85 LEU HB2 . 17085 1 371 . 1 1 36 36 LEU HB3 H 1 0.752 0.04 . 2 . . . . 85 LEU HB3 . 17085 1 372 . 1 1 36 36 LEU HD11 H 1 0.307 0.04 . 1 . . . . 85 LEU HD1 . 17085 1 373 . 1 1 36 36 LEU HD12 H 1 0.307 0.04 . 1 . . . . 85 LEU HD1 . 17085 1 374 . 1 1 36 36 LEU HD13 H 1 0.307 0.04 . 1 . . . . 85 LEU HD1 . 17085 1 375 . 1 1 36 36 LEU HD21 H 1 0.299 0.04 . 1 . . . . 85 LEU HD2 . 17085 1 376 . 1 1 36 36 LEU HD22 H 1 0.299 0.04 . 1 . . . . 85 LEU HD2 . 17085 1 377 . 1 1 36 36 LEU HD23 H 1 0.299 0.04 . 1 . . . . 85 LEU HD2 . 17085 1 378 . 1 1 36 36 LEU HG H 1 1.192 0.04 . 1 . . . . 85 LEU HG . 17085 1 379 . 1 1 36 36 LEU C C 13 176.616 0.4 . 1 . . . . 85 LEU C . 17085 1 380 . 1 1 36 36 LEU CA C 13 54.443 0.40 . 1 . . . . 85 LEU CA . 17085 1 381 . 1 1 36 36 LEU CB C 13 43.044 0.40 . 1 . . . . 85 LEU CB . 17085 1 382 . 1 1 36 36 LEU CD1 C 13 25.830 0.40 . 1 . . . . 85 LEU CD1 . 17085 1 383 . 1 1 36 36 LEU CD2 C 13 25.639 0.40 . 1 . . . . 85 LEU CD2 . 17085 1 384 . 1 1 36 36 LEU CG C 13 29.038 0.40 . 1 . . . . 85 LEU CG . 17085 1 385 . 1 1 36 36 LEU N N 15 122.994 0.40 . 1 . . . . 85 LEU N . 17085 1 386 . 1 1 37 37 GLN H H 1 8.457 0.04 . 1 . . . . 86 GLN H . 17085 1 387 . 1 1 37 37 GLN HA H 1 4.346 0.04 . 1 . . . . 86 GLN HA . 17085 1 388 . 1 1 37 37 GLN HB2 H 1 1.516 0.04 . 2 . . . . 86 GLN HB2 . 17085 1 389 . 1 1 37 37 GLN HB3 H 1 1.271 0.04 . 2 . . . . 86 GLN HB3 . 17085 1 390 . 1 1 37 37 GLN HE21 H 1 7.134 0.04 . 1 . . . . 86 GLN HE21 . 17085 1 391 . 1 1 37 37 GLN HE22 H 1 6.459 0.04 . 2 . . . . 86 GLN HE22 . 17085 1 392 . 1 1 37 37 GLN HG2 H 1 2.015 0.04 . 2 . . . . 86 GLN HG2 . 17085 1 393 . 1 1 37 37 GLN HG3 H 1 1.834 0.04 . 2 . . . . 86 GLN HG3 . 17085 1 394 . 1 1 37 37 GLN C C 13 178.226 0.4 . 1 . . . . 86 GLN C . 17085 1 395 . 1 1 37 37 GLN CA C 13 54.997 0.40 . 1 . . . . 86 GLN CA . 17085 1 396 . 1 1 37 37 GLN CB C 13 33.793 0.40 . 1 . . . . 86 GLN CB . 17085 1 397 . 1 1 37 37 GLN CG C 13 34.189 0.40 . 1 . . . . 86 GLN CG . 17085 1 398 . 1 1 37 37 GLN N N 15 124.367 0.40 . 1 . . . . 86 GLN N . 17085 1 399 . 1 1 37 37 GLN NE2 N 15 112.425 0.04 . 1 . . . . 86 GLN NE2 . 17085 1 400 . 1 1 38 38 ARG H H 1 9.114 0.04 . 1 . . . . 87 ARG H . 17085 1 401 . 1 1 38 38 ARG HA H 1 3.833 0.04 . 1 . . . . 87 ARG HA . 17085 1 402 . 1 1 38 38 ARG HB2 H 1 1.504 0.04 . 2 . . . . 87 ARG HB2 . 17085 1 403 . 1 1 38 38 ARG HB3 H 1 1.381 0.04 . 2 . . . . 87 ARG HB3 . 17085 1 404 . 1 1 38 38 ARG HD2 H 1 2.863 0.04 . 2 . . . . 87 ARG HD2 . 17085 1 405 . 1 1 38 38 ARG HD3 H 1 2.863 0.04 . 2 . . . . 87 ARG HD3 . 17085 1 406 . 1 1 38 38 ARG HG2 H 1 1.298 0.04 . 2 . . . . 87 ARG HG2 . 17085 1 407 . 1 1 38 38 ARG HG3 H 1 1.298 0.04 . 2 . . . . 87 ARG HG3 . 17085 1 408 . 1 1 38 38 ARG CA C 13 58.278 0.40 . 1 . . . . 87 ARG CA . 17085 1 409 . 1 1 38 38 ARG CB C 13 32.536 0.40 . 1 . . . . 87 ARG CB . 17085 1 410 . 1 1 38 38 ARG CD C 13 44.393 0.40 . 1 . . . . 87 ARG CD . 17085 1 411 . 1 1 38 38 ARG CG C 13 28.034 0.40 . 1 . . . . 87 ARG CG . 17085 1 412 . 1 1 38 38 ARG N N 15 130.110 0.40 . 1 . . . . 87 ARG N . 17085 1 413 . 1 1 40 40 PRO HA H 1 4.580 0.04 . 1 . . . . 89 PRO HA . 17085 1 414 . 1 1 40 40 PRO HB2 H 1 2.047 0.04 . 2 . . . . 89 PRO HB2 . 17085 1 415 . 1 1 40 40 PRO HB3 H 1 1.734 0.04 . 2 . . . . 89 PRO HB3 . 17085 1 416 . 1 1 40 40 PRO HD2 H 1 3.567 0.04 . 2 . . . . 89 PRO HD2 . 17085 1 417 . 1 1 40 40 PRO HD3 H 1 2.998 0.04 . 2 . . . . 89 PRO HD3 . 17085 1 418 . 1 1 40 40 PRO HG2 H 1 .642 0.04 . 2 . . . . 89 PRO HG2 . 17085 1 419 . 1 1 40 40 PRO HG3 H 1 1.570 0.04 . 2 . . . . 89 PRO HG3 . 17085 1 420 . 1 1 40 40 PRO C C 13 176.801 0.4 . 1 . . . . 89 PRO C . 17085 1 421 . 1 1 40 40 PRO CA C 13 64.237 0.40 . 1 . . . . 89 PRO CA . 17085 1 422 . 1 1 40 40 PRO CB C 13 33.162 0.40 . 1 . . . . 89 PRO CB . 17085 1 423 . 1 1 40 40 PRO CD C 13 51.308 0.40 . 1 . . . . 89 PRO CD . 17085 1 424 . 1 1 40 40 PRO CG C 13 27.803 0.40 . 1 . . . . 89 PRO CG . 17085 1 425 . 1 1 41 41 ASN H H 1 7.529 0.04 . 1 . . . . 90 ASN H . 17085 1 426 . 1 1 41 41 ASN HA H 1 4.443 0.04 . 1 . . . . 90 ASN HA . 17085 1 427 . 1 1 41 41 ASN HB2 H 1 2.597 0.04 . 2 . . . . 90 ASN HB2 . 17085 1 428 . 1 1 41 41 ASN HB3 H 1 2.349 0.04 . 2 . . . . 90 ASN HB3 . 17085 1 429 . 1 1 41 41 ASN HD21 H 1 7.367 0.04 . 1 . . . . 90 ASN HD21 . 17085 1 430 . 1 1 41 41 ASN HD22 H 1 6.640 0.04 . 2 . . . . 90 ASN HD22 . 17085 1 431 . 1 1 41 41 ASN C C 13 178.962 0.4 . 1 . . . . 90 ASN C . 17085 1 432 . 1 1 41 41 ASN CA C 13 53.225 0.40 . 1 . . . . 90 ASN CA . 17085 1 433 . 1 1 41 41 ASN CB C 13 39.739 0.40 . 1 . . . . 90 ASN CB . 17085 1 434 . 1 1 41 41 ASN N N 15 116.135 0.40 . 1 . . . . 90 ASN N . 17085 1 435 . 1 1 41 41 ASN ND2 N 15 114.888 0.04 . 1 . . . . 90 ASN ND2 . 17085 1 436 . 1 1 42 42 ASN H H 1 7.050 0.04 . 1 . . . . 91 ASN H . 17085 1 437 . 1 1 42 42 ASN HA H 1 4.295 0.04 . 1 . . . . 91 ASN HA . 17085 1 438 . 1 1 42 42 ASN HB2 H 1 2.871 0.04 . 2 . . . . 91 ASN HB2 . 17085 1 439 . 1 1 42 42 ASN HB3 H 1 2.841 0.04 . 2 . . . . 91 ASN HB3 . 17085 1 440 . 1 1 42 42 ASN CA C 13 53.607 0.40 . 1 . . . . 91 ASN CA . 17085 1 441 . 1 1 42 42 ASN CB C 13 40.260 0.40 . 1 . . . . 91 ASN CB . 17085 1 442 . 1 1 42 42 ASN N N 15 124.902 0.40 . 1 . . . . 91 ASN N . 17085 1 443 . 1 1 43 43 PRO HA H 1 3.699 0.04 . 1 . . . . 92 PRO HA . 17085 1 444 . 1 1 43 43 PRO HB2 H 1 0.769 0.04 . 2 . . . . 92 PRO HB2 . 17085 1 445 . 1 1 43 43 PRO HB3 H 1 0.769 0.04 . 2 . . . . 92 PRO HB3 . 17085 1 446 . 1 1 43 43 PRO HD2 H 1 3.593 0.04 . 2 . . . . 92 PRO HD2 . 17085 1 447 . 1 1 43 43 PRO HD3 H 1 3.109 0.04 . 2 . . . . 92 PRO HD3 . 17085 1 448 . 1 1 43 43 PRO HG2 H 1 1.448 0.04 . 2 . . . . 92 PRO HG2 . 17085 1 449 . 1 1 43 43 PRO HG3 H 1 1.448 0.04 . 2 . . . . 92 PRO HG3 . 17085 1 450 . 1 1 43 43 PRO C C 13 176.971 0.4 . 1 . . . . 92 PRO C . 17085 1 451 . 1 1 43 43 PRO CA C 13 64.739 0.40 . 1 . . . . 92 PRO CA . 17085 1 452 . 1 1 43 43 PRO CB C 13 32.301 0.40 . 1 . . . . 92 PRO CB . 17085 1 453 . 1 1 43 43 PRO CD C 13 51.627 0.40 . 1 . . . . 92 PRO CD . 17085 1 454 . 1 1 43 43 PRO CG C 13 27.505 0.40 . 1 . . . . 92 PRO CG . 17085 1 455 . 1 1 44 44 TYR H H 1 7.736 0.04 . 1 . . . . 93 TYR H . 17085 1 456 . 1 1 44 44 TYR HA H 1 3.686 0.04 . 1 . . . . 93 TYR HA . 17085 1 457 . 1 1 44 44 TYR HD1 H 1 6.245 0.04 . 1 . . . . 93 TYR HD1 . 17085 1 458 . 1 1 44 44 TYR HD2 H 1 6.245 0.04 . 1 . . . . 93 TYR HD2 . 17085 1 459 . 1 1 44 44 TYR HE1 H 1 6.319 0.04 . 1 . . . . 93 TYR HE1 . 17085 1 460 . 1 1 44 44 TYR HE2 H 1 6.319 0.04 . 1 . . . . 93 TYR HE2 . 17085 1 461 . 1 1 44 44 TYR C C 13 177.313 0.4 . 1 . . . . 93 TYR C . 17085 1 462 . 1 1 44 44 TYR CA C 13 59.326 0.40 . 1 . . . . 93 TYR CA . 17085 1 463 . 1 1 44 44 TYR CD1 C 13 132.068 0.40 . 1 . . . . 93 TYR CD1 . 17085 1 464 . 1 1 44 44 TYR CE1 C 13 117.982 0.40 . 1 . . . . 93 TYR CE1 . 17085 1 465 . 1 1 44 44 TYR N N 15 118.278 0.40 . 1 . . . . 93 TYR N . 17085 1 466 . 1 1 45 45 ASP H H 1 6.877 0.04 . 1 . . . . 94 ASP H . 17085 1 467 . 1 1 45 45 ASP HA H 1 4.156 0.04 . 1 . . . . 94 ASP HA . 17085 1 468 . 1 1 45 45 ASP HB2 H 1 2.446 0.04 . 2 . . . . 94 ASP HB2 . 17085 1 469 . 1 1 45 45 ASP HB3 H 1 2.129 0.04 . 2 . . . . 94 ASP HB3 . 17085 1 470 . 1 1 45 45 ASP C C 13 178.107 0.4 . 1 . . . . 94 ASP C . 17085 1 471 . 1 1 45 45 ASP CA C 13 54.841 0.40 . 1 . . . . 94 ASP CA . 17085 1 472 . 1 1 45 45 ASP CB C 13 43.213 0.40 . 1 . . . . 94 ASP CB . 17085 1 473 . 1 1 45 45 ASP N N 15 118.049 0.40 . 1 . . . . 94 ASP N . 17085 1 474 . 1 1 46 46 LYS H H 1 8.437 0.04 . 1 . . . . 95 LYS H . 17085 1 475 . 1 1 46 46 LYS HA H 1 3.944 0.04 . 1 . . . . 95 LYS HA . 17085 1 476 . 1 1 46 46 LYS HB2 H 1 1.594 0.04 . 2 . . . . 95 LYS HB2 . 17085 1 477 . 1 1 46 46 LYS HB3 H 1 1.594 0.04 . 2 . . . . 95 LYS HB3 . 17085 1 478 . 1 1 46 46 LYS HD2 H 1 1.376 0.04 . 2 . . . . 95 LYS HD2 . 17085 1 479 . 1 1 46 46 LYS HD3 H 1 1.376 0.04 . 2 . . . . 95 LYS HD3 . 17085 1 480 . 1 1 46 46 LYS HE2 H 1 2.678 0.04 . 2 . . . . 95 LYS HE2 . 17085 1 481 . 1 1 46 46 LYS HE3 H 1 2.678 0.04 . 2 . . . . 95 LYS HE3 . 17085 1 482 . 1 1 46 46 LYS HG2 H 1 1.194 0.04 . 2 . . . . 95 LYS HG2 . 17085 1 483 . 1 1 46 46 LYS HG3 H 1 1.037 0.04 . 2 . . . . 95 LYS HG3 . 17085 1 484 . 1 1 46 46 LYS C C 13 175.952 0.4 . 1 . . . . 95 LYS C . 17085 1 485 . 1 1 46 46 LYS CA C 13 59.082 0.40 . 1 . . . . 95 LYS CA . 17085 1 486 . 1 1 46 46 LYS CB C 13 32.401 0.40 . 1 . . . . 95 LYS CB . 17085 1 487 . 1 1 46 46 LYS CD C 13 30.030 0.40 . 1 . . . . 95 LYS CD . 17085 1 488 . 1 1 46 46 LYS CE C 13 42.955 0.40 . 1 . . . . 95 LYS CE . 17085 1 489 . 1 1 46 46 LYS CG C 13 24.840 0.40 . 1 . . . . 95 LYS CG . 17085 1 490 . 1 1 46 46 LYS N N 15 127.783 0.40 . 1 . . . . 95 LYS N . 17085 1 491 . 1 1 47 47 ASN H H 1 7.942 0.04 . 1 . . . . 96 ASN H . 17085 1 492 . 1 1 47 47 ASN HA H 1 4.048 0.04 . 1 . . . . 96 ASN HA . 17085 1 493 . 1 1 47 47 ASN HB2 H 1 2.682 0.04 . 2 . . . . 96 ASN HB2 . 17085 1 494 . 1 1 47 47 ASN HB3 H 1 2.442 0.04 . 2 . . . . 96 ASN HB3 . 17085 1 495 . 1 1 47 47 ASN C C 13 181.502 0.4 . 1 . . . . 96 ASN C . 17085 1 496 . 1 1 47 47 ASN CA C 13 54.086 0.40 . 1 . . . . 96 ASN CA . 17085 1 497 . 1 1 47 47 ASN CB C 13 39.198 0.40 . 1 . . . . 96 ASN CB . 17085 1 498 . 1 1 47 47 ASN N N 15 119.099 0.40 . 1 . . . . 96 ASN N . 17085 1 499 . 1 1 48 48 ALA H H 1 6.747 0.04 . 1 . . . . 97 ALA H . 17085 1 500 . 1 1 48 48 ALA HA H 1 3.383 0.04 . 1 . . . . 97 ALA HA . 17085 1 501 . 1 1 48 48 ALA HB1 H 1 1.331 0.04 . 1 . . . . 97 ALA HB . 17085 1 502 . 1 1 48 48 ALA HB2 H 1 1.331 0.04 . 1 . . . . 97 ALA HB . 17085 1 503 . 1 1 48 48 ALA HB3 H 1 1.331 0.04 . 1 . . . . 97 ALA HB . 17085 1 504 . 1 1 48 48 ALA CA C 13 54.669 0.40 . 1 . . . . 97 ALA CA . 17085 1 505 . 1 1 48 48 ALA CB C 13 20.951 0.40 . 1 . . . . 97 ALA CB . 17085 1 506 . 1 1 48 48 ALA N N 15 117.585 0.40 . 1 . . . . 97 ALA N . 17085 1 507 . 1 1 49 49 ILE HA H 1 4.005 0.04 . 1 . . . . 98 ILE HA . 17085 1 508 . 1 1 49 49 ILE HB H 1 1.139 0.04 . 1 . . . . 98 ILE HB . 17085 1 509 . 1 1 49 49 ILE HD11 H 1 0.485 0.04 . 1 . . . . 98 ILE HD1 . 17085 1 510 . 1 1 49 49 ILE HD12 H 1 0.485 0.04 . 1 . . . . 98 ILE HD1 . 17085 1 511 . 1 1 49 49 ILE HD13 H 1 0.485 0.04 . 1 . . . . 98 ILE HD1 . 17085 1 512 . 1 1 49 49 ILE HG12 H 1 1.985 0.04 . 2 . . . . 98 ILE HG12 . 17085 1 513 . 1 1 49 49 ILE HG13 H 1 1.985 0.04 . 2 . . . . 98 ILE HG13 . 17085 1 514 . 1 1 49 49 ILE HG21 H 1 0.373 0.04 . 1 . . . . 98 ILE HG2 . 17085 1 515 . 1 1 49 49 ILE HG22 H 1 0.373 0.04 . 1 . . . . 98 ILE HG2 . 17085 1 516 . 1 1 49 49 ILE HG23 H 1 0.373 0.04 . 1 . . . . 98 ILE HG2 . 17085 1 517 . 1 1 49 49 ILE CA C 13 62.645 0.40 . 1 . . . . 98 ILE CA . 17085 1 518 . 1 1 49 49 ILE CB C 13 42.903 0.40 . 1 . . . . 98 ILE CB . 17085 1 519 . 1 1 49 49 ILE CD1 C 13 18.052 0.40 . 1 . . . . 98 ILE CD1 . 17085 1 520 . 1 1 49 49 ILE CG1 C 13 29.507 0.40 . 1 . . . . 98 ILE CG1 . 17085 1 521 . 1 1 49 49 ILE CG2 C 13 19.746 0.40 . 1 . . . . 98 ILE CG2 . 17085 1 522 . 1 1 50 50 LYS HA H 1 3.845 0.04 . 1 . . . . 99 LYS HA . 17085 1 523 . 1 1 50 50 LYS HB2 H 1 1.151 0.04 . 2 . . . . 99 LYS HB2 . 17085 1 524 . 1 1 50 50 LYS HB3 H 1 1.151 0.04 . 2 . . . . 99 LYS HB3 . 17085 1 525 . 1 1 50 50 LYS HE2 H 1 2.542 0.04 . 2 . . . . 99 LYS HE2 . 17085 1 526 . 1 1 50 50 LYS HE3 H 1 2.542 0.04 . 2 . . . . 99 LYS HE3 . 17085 1 527 . 1 1 50 50 LYS C C 13 178.312 0.4 . 1 . . . . 99 LYS C . 17085 1 528 . 1 1 50 50 LYS CA C 13 57.522 0.40 . 1 . . . . 99 LYS CA . 17085 1 529 . 1 1 50 50 LYS CB C 13 35.315 0.40 . 1 . . . . 99 LYS CB . 17085 1 530 . 1 1 50 50 LYS CE C 13 42.492 0.40 . 1 . . . . 99 LYS CE . 17085 1 531 . 1 1 51 51 VAL H H 1 7.336 0.04 . 1 . . . . 100 VAL H . 17085 1 532 . 1 1 51 51 VAL HA H 1 4.167 0.04 . 1 . . . . 100 VAL HA . 17085 1 533 . 1 1 51 51 VAL HB H 1 0.997 0.04 . 1 . . . . 100 VAL HB . 17085 1 534 . 1 1 51 51 VAL HG11 H 1 0.331 0.04 . 1 . . . . 100 VAL HG1 . 17085 1 535 . 1 1 51 51 VAL HG12 H 1 0.331 0.04 . 1 . . . . 100 VAL HG1 . 17085 1 536 . 1 1 51 51 VAL HG13 H 1 0.331 0.04 . 1 . . . . 100 VAL HG1 . 17085 1 537 . 1 1 51 51 VAL HG21 H 1 0.237 0.04 . 1 . . . . 100 VAL HG2 . 17085 1 538 . 1 1 51 51 VAL HG22 H 1 0.237 0.04 . 1 . . . . 100 VAL HG2 . 17085 1 539 . 1 1 51 51 VAL HG23 H 1 0.237 0.04 . 1 . . . . 100 VAL HG2 . 17085 1 540 . 1 1 51 51 VAL C C 13 179.498 0.4 . 1 . . . . 100 VAL C . 17085 1 541 . 1 1 51 51 VAL CA C 13 61.877 0.40 . 1 . . . . 100 VAL CA . 17085 1 542 . 1 1 51 51 VAL CB C 13 33.349 0.40 . 1 . . . . 100 VAL CB . 17085 1 543 . 1 1 51 51 VAL CG1 C 13 21.826 0.40 . 1 . . . . 100 VAL CG1 . 17085 1 544 . 1 1 51 51 VAL CG2 C 13 21.283 0.40 . 1 . . . . 100 VAL CG2 . 17085 1 545 . 1 1 51 51 VAL N N 15 120.743 0.40 . 1 . . . . 100 VAL N . 17085 1 546 . 1 1 52 52 ASN H H 1 8.961 0.04 . 1 . . . . 101 ASN H . 17085 1 547 . 1 1 52 52 ASN HA H 1 5.080 0.04 . 1 . . . . 101 ASN HA . 17085 1 548 . 1 1 52 52 ASN HB2 H 1 2.182 0.04 . 2 . . . . 101 ASN HB2 . 17085 1 549 . 1 1 52 52 ASN HB3 H 1 1.960 0.04 . 2 . . . . 101 ASN HB3 . 17085 1 550 . 1 1 52 52 ASN C C 13 178.549 0.4 . 1 . . . . 101 ASN C . 17085 1 551 . 1 1 52 52 ASN CA C 13 51.442 0.40 . 1 . . . . 101 ASN CA . 17085 1 552 . 1 1 52 52 ASN CB C 13 42.159 0.40 . 1 . . . . 101 ASN CB . 17085 1 553 . 1 1 52 52 ASN N N 15 127.190 0.40 . 1 . . . . 101 ASN N . 17085 1 554 . 1 1 53 53 ASN H H 1 8.251 0.04 . 1 . . . . 102 ASN H . 17085 1 555 . 1 1 53 53 ASN HA H 1 4.559 0.04 . 1 . . . . 102 ASN HA . 17085 1 556 . 1 1 53 53 ASN HB2 H 1 3.549 0.04 . 2 . . . . 102 ASN HB2 . 17085 1 557 . 1 1 53 53 ASN HB3 H 1 2.206 0.04 . 2 . . . . 102 ASN HB3 . 17085 1 558 . 1 1 53 53 ASN HD21 H 1 6.781 0.04 . 1 . . . . 102 ASN HD21 . 17085 1 559 . 1 1 53 53 ASN HD22 H 1 8.040 0.04 . 2 . . . . 102 ASN HD22 . 17085 1 560 . 1 1 53 53 ASN C C 13 175.452 0.4 . 1 . . . . 102 ASN C . 17085 1 561 . 1 1 53 53 ASN CA C 13 51.906 0.40 . 1 . . . . 102 ASN CA . 17085 1 562 . 1 1 53 53 ASN CB C 13 40.036 0.40 . 1 . . . . 102 ASN CB . 17085 1 563 . 1 1 53 53 ASN N N 15 118.137 0.40 . 1 . . . . 102 ASN N . 17085 1 564 . 1 1 53 53 ASN ND2 N 15 112.795 0.04 . 1 . . . . 102 ASN ND2 . 17085 1 565 . 1 1 54 54 VAL H H 1 8.800 0.04 . 1 . . . . 103 VAL H . 17085 1 566 . 1 1 54 54 VAL HA H 1 3.520 0.04 . 1 . . . . 103 VAL HA . 17085 1 567 . 1 1 54 54 VAL HB H 1 1.926 0.04 . 1 . . . . 103 VAL HB . 17085 1 568 . 1 1 54 54 VAL HG11 H 1 0.661 0.04 . 1 . . . . 103 VAL HG1 . 17085 1 569 . 1 1 54 54 VAL HG12 H 1 0.661 0.04 . 1 . . . . 103 VAL HG1 . 17085 1 570 . 1 1 54 54 VAL HG13 H 1 0.661 0.04 . 1 . . . . 103 VAL HG1 . 17085 1 571 . 1 1 54 54 VAL HG21 H 1 0.647 0.04 . 1 . . . . 103 VAL HG2 . 17085 1 572 . 1 1 54 54 VAL HG22 H 1 0.647 0.04 . 1 . . . . 103 VAL HG2 . 17085 1 573 . 1 1 54 54 VAL HG23 H 1 0.647 0.04 . 1 . . . . 103 VAL HG2 . 17085 1 574 . 1 1 54 54 VAL C C 13 177.338 0.4 . 1 . . . . 103 VAL C . 17085 1 575 . 1 1 54 54 VAL CA C 13 65.717 0.40 . 1 . . . . 103 VAL CA . 17085 1 576 . 1 1 54 54 VAL CB C 13 32.628 0.40 . 1 . . . . 103 VAL CB . 17085 1 577 . 1 1 54 54 VAL CG1 C 13 21.776 0.40 . 1 . . . . 103 VAL CG1 . 17085 1 578 . 1 1 54 54 VAL CG2 C 13 20.587 0.40 . 1 . . . . 103 VAL CG2 . 17085 1 579 . 1 1 54 54 VAL N N 15 118.107 0.40 . 1 . . . . 103 VAL N . 17085 1 580 . 1 1 55 55 ASN H H 1 7.100 0.04 . 1 . . . . 104 ASN H . 17085 1 581 . 1 1 55 55 ASN HA H 1 4.498 0.04 . 1 . . . . 104 ASN HA . 17085 1 582 . 1 1 55 55 ASN HB2 H 1 2.651 0.04 . 2 . . . . 104 ASN HB2 . 17085 1 583 . 1 1 55 55 ASN HB3 H 1 2.288 0.04 . 2 . . . . 104 ASN HB3 . 17085 1 584 . 1 1 55 55 ASN HD21 H 1 7.174 0.04 . 1 . . . . 104 ASN HD21 . 17085 1 585 . 1 1 55 55 ASN HD22 H 1 6.583 0.04 . 2 . . . . 104 ASN HD22 . 17085 1 586 . 1 1 55 55 ASN C C 13 178.127 0.4 . 1 . . . . 104 ASN C . 17085 1 587 . 1 1 55 55 ASN CA C 13 54.232 0.40 . 1 . . . . 104 ASN CA . 17085 1 588 . 1 1 55 55 ASN CB C 13 40.129 0.40 . 1 . . . . 104 ASN CB . 17085 1 589 . 1 1 55 55 ASN N N 15 117.849 0.40 . 1 . . . . 104 ASN N . 17085 1 590 . 1 1 55 55 ASN ND2 N 15 113.790 0.04 . 1 . . . . 104 ASN ND2 . 17085 1 591 . 1 1 56 56 GLY H H 1 7.845 0.04 . 1 . . . . 105 GLY H . 17085 1 592 . 1 1 56 56 GLY HA2 H 1 3.932 0.04 . 2 . . . . 105 GLY HA2 . 17085 1 593 . 1 1 56 56 GLY HA3 H 1 3.162 0.04 . 2 . . . . 105 GLY HA3 . 17085 1 594 . 1 1 56 56 GLY C C 13 179.925 0.4 . 1 . . . . 105 GLY C . 17085 1 595 . 1 1 56 56 GLY CA C 13 46.063 0.40 . 1 . . . . 105 GLY CA . 17085 1 596 . 1 1 56 56 GLY N N 15 108.087 0.40 . 1 . . . . 105 GLY N . 17085 1 597 . 1 1 57 57 ASN H H 1 7.642 0.04 . 1 . . . . 106 ASN H . 17085 1 598 . 1 1 57 57 ASN HA H 1 4.446 0.04 . 1 . . . . 106 ASN HA . 17085 1 599 . 1 1 57 57 ASN HB2 H 1 2.436 0.04 . 2 . . . . 106 ASN HB2 . 17085 1 600 . 1 1 57 57 ASN HB3 H 1 2.206 0.04 . 2 . . . . 106 ASN HB3 . 17085 1 601 . 1 1 57 57 ASN HD21 H 1 6.688 0.04 . 1 . . . . 106 ASN HD21 . 17085 1 602 . 1 1 57 57 ASN HD22 H 1 7.166 0.04 . 2 . . . . 106 ASN HD22 . 17085 1 603 . 1 1 57 57 ASN C C 13 178.561 0.4 . 1 . . . . 106 ASN C . 17085 1 604 . 1 1 57 57 ASN CA C 13 52.933 0.40 . 1 . . . . 106 ASN CA . 17085 1 605 . 1 1 57 57 ASN CB C 13 40.475 0.40 . 1 . . . . 106 ASN CB . 17085 1 606 . 1 1 57 57 ASN N N 15 120.056 0.40 . 1 . . . . 106 ASN N . 17085 1 607 . 1 1 57 57 ASN ND2 N 15 112.653 0.04 . 1 . . . . 106 ASN ND2 . 17085 1 608 . 1 1 58 58 GLN H H 1 8.627 0.04 . 1 . . . . 107 GLN H . 17085 1 609 . 1 1 58 58 GLN HA H 1 4.363 0.04 . 1 . . . . 107 GLN HA . 17085 1 610 . 1 1 58 58 GLN CA C 13 59.015 0.40 . 1 . . . . 107 GLN CA . 17085 1 611 . 1 1 58 58 GLN N N 15 127.499 0.40 . 1 . . . . 107 GLN N . 17085 1 612 . 1 1 59 59 VAL HA H 1 3.619 0.04 . 1 . . . . 108 VAL HA . 17085 1 613 . 1 1 59 59 VAL HB H 1 1.230 0.04 . 1 . . . . 108 VAL HB . 17085 1 614 . 1 1 59 59 VAL HG11 H 1 0.416 0.04 . 1 . . . . 108 VAL HG1 . 17085 1 615 . 1 1 59 59 VAL HG12 H 1 0.416 0.04 . 1 . . . . 108 VAL HG1 . 17085 1 616 . 1 1 59 59 VAL HG13 H 1 0.416 0.04 . 1 . . . . 108 VAL HG1 . 17085 1 617 . 1 1 59 59 VAL HG21 H 1 0.323 0.04 . 1 . . . . 108 VAL HG2 . 17085 1 618 . 1 1 59 59 VAL HG22 H 1 0.323 0.04 . 1 . . . . 108 VAL HG2 . 17085 1 619 . 1 1 59 59 VAL HG23 H 1 0.323 0.04 . 1 . . . . 108 VAL HG2 . 17085 1 620 . 1 1 59 59 VAL C C 13 178.681 0.4 . 1 . . . . 108 VAL C . 17085 1 621 . 1 1 59 59 VAL CA C 13 63.049 0.40 . 1 . . . . 108 VAL CA . 17085 1 622 . 1 1 59 59 VAL CB C 13 35.009 0.40 . 1 . . . . 108 VAL CB . 17085 1 623 . 1 1 59 59 VAL CG1 C 13 21.891 0.40 . 1 . . . . 108 VAL CG1 . 17085 1 624 . 1 1 59 59 VAL CG2 C 13 21.891 0.40 . 1 . . . . 108 VAL CG2 . 17085 1 625 . 1 1 60 60 GLY H H 1 6.503 0.04 . 1 . . . . 109 GLY H . 17085 1 626 . 1 1 60 60 GLY HA2 H 1 3.789 0.04 . 2 . . . . 109 GLY HA2 . 17085 1 627 . 1 1 60 60 GLY HA3 H 1 3.762 0.04 . 2 . . . . 109 GLY HA3 . 17085 1 628 . 1 1 60 60 GLY C C 13 180.180 0.4 . 1 . . . . 109 GLY C . 17085 1 629 . 1 1 60 60 GLY CA C 13 46.727 0.40 . 1 . . . . 109 GLY CA . 17085 1 630 . 1 1 60 60 GLY N N 15 101.693 0.40 . 1 . . . . 109 GLY N . 17085 1 631 . 1 1 61 61 HIS H H 1 8.940 0.04 . 1 . . . . 110 HIS H . 17085 1 632 . 1 1 61 61 HIS HA H 1 5.093 0.04 . 1 . . . . 110 HIS HA . 17085 1 633 . 1 1 61 61 HIS CA C 13 58.057 0.40 . 1 . . . . 110 HIS CA . 17085 1 634 . 1 1 61 61 HIS N N 15 124.330 0.40 . 1 . . . . 110 HIS N . 17085 1 635 . 1 1 62 62 LEU HA H 1 3.921 0.04 . 1 . . . . 111 LEU HA . 17085 1 636 . 1 1 62 62 LEU HB2 H 1 1.099 0.04 . 2 . . . . 111 LEU HB2 . 17085 1 637 . 1 1 62 62 LEU HB3 H 1 1.043 0.04 . 2 . . . . 111 LEU HB3 . 17085 1 638 . 1 1 62 62 LEU HD11 H 1 -0.032 0.04 . 1 . . . . 111 LEU HD1 . 17085 1 639 . 1 1 62 62 LEU HD12 H 1 -0.032 0.04 . 1 . . . . 111 LEU HD1 . 17085 1 640 . 1 1 62 62 LEU HD13 H 1 -0.032 0.04 . 1 . . . . 111 LEU HD1 . 17085 1 641 . 1 1 62 62 LEU HD21 H 1 -0.164 0.04 . 1 . . . . 111 LEU HD2 . 17085 1 642 . 1 1 62 62 LEU HD22 H 1 -0.164 0.04 . 1 . . . . 111 LEU HD2 . 17085 1 643 . 1 1 62 62 LEU HD23 H 1 -0.164 0.04 . 1 . . . . 111 LEU HD2 . 17085 1 644 . 1 1 62 62 LEU HG H 1 0.937 0.04 . 1 . . . . 111 LEU HG . 17085 1 645 . 1 1 62 62 LEU CA C 13 56.960 0.40 . 1 . . . . 111 LEU CA . 17085 1 646 . 1 1 62 62 LEU CB C 13 44.163 0.40 . 1 . . . . 111 LEU CB . 17085 1 647 . 1 1 62 62 LEU CD1 C 13 25.818 0.40 . 1 . . . . 111 LEU CD1 . 17085 1 648 . 1 1 62 62 LEU CD2 C 13 24.569 0.40 . 1 . . . . 111 LEU CD2 . 17085 1 649 . 1 1 62 62 LEU CG C 13 27.564 0.40 . 1 . . . . 111 LEU CG . 17085 1 650 . 1 1 63 63 LYS HA H 1 3.942 0.04 . 1 . . . . 112 LYS HA . 17085 1 651 . 1 1 63 63 LYS HB2 H 1 1.525 0.04 . 2 . . . . 112 LYS HB2 . 17085 1 652 . 1 1 63 63 LYS HB3 H 1 1.525 0.04 . 2 . . . . 112 LYS HB3 . 17085 1 653 . 1 1 63 63 LYS HD2 H 1 1.591 0.04 . 2 . . . . 112 LYS HD2 . 17085 1 654 . 1 1 63 63 LYS HD3 H 1 1.508 0.04 . 2 . . . . 112 LYS HD3 . 17085 1 655 . 1 1 63 63 LYS HE2 H 1 2.839 0.04 . 2 . . . . 112 LYS HE2 . 17085 1 656 . 1 1 63 63 LYS HE3 H 1 2.793 0.04 . 2 . . . . 112 LYS HE3 . 17085 1 657 . 1 1 63 63 LYS HG2 H 1 1.498 0.04 . 2 . . . . 112 LYS HG2 . 17085 1 658 . 1 1 63 63 LYS HG3 H 1 1.623 0.04 . 2 . . . . 112 LYS HG3 . 17085 1 659 . 1 1 63 63 LYS CA C 13 58.545 0.40 . 1 . . . . 112 LYS CA . 17085 1 660 . 1 1 63 63 LYS CB C 13 35.061 0.40 . 1 . . . . 112 LYS CB . 17085 1 661 . 1 1 63 63 LYS CD C 13 31.055 0.40 . 1 . . . . 112 LYS CD . 17085 1 662 . 1 1 63 63 LYS CE C 13 42.915 0.40 . 1 . . . . 112 LYS CE . 17085 1 663 . 1 1 63 63 LYS CG C 13 26.209 0.40 . 1 . . . . 112 LYS CG . 17085 1 664 . 1 1 64 64 LYS HA H 1 3.666 0.04 . 1 . . . . 113 LYS HA . 17085 1 665 . 1 1 64 64 LYS HB2 H 1 1.860 0.04 . 2 . . . . 113 LYS HB2 . 17085 1 666 . 1 1 64 64 LYS HB3 H 1 1.569 0.04 . 2 . . . . 113 LYS HB3 . 17085 1 667 . 1 1 64 64 LYS HD2 H 1 1.576 0.04 . 2 . . . . 113 LYS HD2 . 17085 1 668 . 1 1 64 64 LYS HD3 H 1 1.464 0.04 . 2 . . . . 113 LYS HD3 . 17085 1 669 . 1 1 64 64 LYS HE2 H 1 2.766 0.04 . 2 . . . . 113 LYS HE2 . 17085 1 670 . 1 1 64 64 LYS HE3 H 1 2.694 0.04 . 2 . . . . 113 LYS HE3 . 17085 1 671 . 1 1 64 64 LYS HG2 H 1 1.284 0.04 . 2 . . . . 113 LYS HG2 . 17085 1 672 . 1 1 64 64 LYS HG3 H 1 1.114 0.04 . 2 . . . . 113 LYS HG3 . 17085 1 673 . 1 1 64 64 LYS C C 13 174.593 0.4 . 1 . . . . 113 LYS C . 17085 1 674 . 1 1 64 64 LYS CA C 13 62.261 0.40 . 1 . . . . 113 LYS CA . 17085 1 675 . 1 1 64 64 LYS CB C 13 33.062 0.40 . 1 . . . . 113 LYS CB . 17085 1 676 . 1 1 64 64 LYS CD C 13 30.661 0.40 . 1 . . . . 113 LYS CD . 17085 1 677 . 1 1 64 64 LYS CE C 13 43.161 0.40 . 1 . . . . 113 LYS CE . 17085 1 678 . 1 1 64 64 LYS CG C 13 25.203 0.40 . 1 . . . . 113 LYS CG . 17085 1 679 . 1 1 65 65 GLU H H 1 9.541 0.04 . 1 . . . . 114 GLU H . 17085 1 680 . 1 1 65 65 GLU HA H 1 3.913 0.04 . 1 . . . . 114 GLU HA . 17085 1 681 . 1 1 65 65 GLU HB2 H 1 1.991 0.04 . 2 . . . . 114 GLU HB2 . 17085 1 682 . 1 1 65 65 GLU HB3 H 1 1.957 0.04 . 2 . . . . 114 GLU HB3 . 17085 1 683 . 1 1 65 65 GLU HG2 H 1 2.389 0.04 . 2 . . . . 114 GLU HG2 . 17085 1 684 . 1 1 65 65 GLU HG3 H 1 2.147 0.04 . 2 . . . . 114 GLU HG3 . 17085 1 685 . 1 1 65 65 GLU C C 13 174.030 0.4 . 1 . . . . 114 GLU C . 17085 1 686 . 1 1 65 65 GLU CA C 13 61.828 0.40 . 1 . . . . 114 GLU CA . 17085 1 687 . 1 1 65 65 GLU CB C 13 29.507 0.40 . 1 . . . . 114 GLU CB . 17085 1 688 . 1 1 65 65 GLU CG C 13 38.224 0.40 . 1 . . . . 114 GLU CG . 17085 1 689 . 1 1 65 65 GLU N N 15 122.402 0.40 . 1 . . . . 114 GLU N . 17085 1 690 . 1 1 66 66 LEU H H 1 7.001 0.04 . 1 . . . . 115 LEU H . 17085 1 691 . 1 1 66 66 LEU HA H 1 3.844 0.04 . 1 . . . . 115 LEU HA . 17085 1 692 . 1 1 66 66 LEU HB2 H 1 1.486 0.04 . 2 . . . . 115 LEU HB2 . 17085 1 693 . 1 1 66 66 LEU HB3 H 1 1.376 0.04 . 2 . . . . 115 LEU HB3 . 17085 1 694 . 1 1 66 66 LEU HD21 H 1 0.097 0.04 . 1 . . . . 115 LEU HD2 . 17085 1 695 . 1 1 66 66 LEU HD22 H 1 0.097 0.04 . 1 . . . . 115 LEU HD2 . 17085 1 696 . 1 1 66 66 LEU HD23 H 1 0.097 0.04 . 1 . . . . 115 LEU HD2 . 17085 1 697 . 1 1 66 66 LEU HG H 1 0.522 0.04 . 1 . . . . 115 LEU HG . 17085 1 698 . 1 1 66 66 LEU C C 13 174.455 0.4 . 1 . . . . 115 LEU C . 17085 1 699 . 1 1 66 66 LEU CA C 13 57.459 0.40 . 1 . . . . 115 LEU CA . 17085 1 700 . 1 1 66 66 LEU CB C 13 42.849 0.40 . 1 . . . . 115 LEU CB . 17085 1 701 . 1 1 66 66 LEU CD2 C 13 23.943 0.40 . 1 . . . . 115 LEU CD2 . 17085 1 702 . 1 1 66 66 LEU CG C 13 27.682 0.40 . 1 . . . . 115 LEU CG . 17085 1 703 . 1 1 66 66 LEU N N 15 120.580 0.40 . 1 . . . . 115 LEU N . 17085 1 704 . 1 1 67 67 ALA H H 1 8.187 0.04 . 1 . . . . 116 ALA H . 17085 1 705 . 1 1 67 67 ALA HA H 1 3.576 0.04 . 1 . . . . 116 ALA HA . 17085 1 706 . 1 1 67 67 ALA HB1 H 1 1.156 0.04 . 1 . . . . 116 ALA HB . 17085 1 707 . 1 1 67 67 ALA HB2 H 1 1.156 0.04 . 1 . . . . 116 ALA HB . 17085 1 708 . 1 1 67 67 ALA HB3 H 1 1.156 0.04 . 1 . . . . 116 ALA HB . 17085 1 709 . 1 1 67 67 ALA C C 13 174.851 0.4 . 1 . . . . 116 ALA C . 17085 1 710 . 1 1 67 67 ALA CA C 13 56.916 0.40 . 1 . . . . 116 ALA CA . 17085 1 711 . 1 1 67 67 ALA CB C 13 18.377 0.40 . 1 . . . . 116 ALA CB . 17085 1 712 . 1 1 67 67 ALA N N 15 124.960 0.40 . 1 . . . . 116 ALA N . 17085 1 713 . 1 1 68 68 GLY H H 1 7.847 0.04 . 1 . . . . 117 GLY H . 17085 1 714 . 1 1 68 68 GLY HA2 H 1 3.413 0.04 . 2 . . . . 117 GLY HA2 . 17085 1 715 . 1 1 68 68 GLY HA3 H 1 3.325 0.04 . 2 . . . . 117 GLY HA3 . 17085 1 716 . 1 1 68 68 GLY C C 13 178.501 0.4 . 1 . . . . 117 GLY C . 17085 1 717 . 1 1 68 68 GLY CA C 13 47.656 0.40 . 1 . . . . 117 GLY CA . 17085 1 718 . 1 1 68 68 GLY N N 15 102.790 0.40 . 1 . . . . 117 GLY N . 17085 1 719 . 1 1 69 69 ALA H H 1 6.712 0.04 . 1 . . . . 118 ALA H . 17085 1 720 . 1 1 69 69 ALA HA H 1 3.353 0.04 . 1 . . . . 118 ALA HA . 17085 1 721 . 1 1 69 69 ALA HB1 H 1 1.032 0.04 . 1 . . . . 118 ALA HB . 17085 1 722 . 1 1 69 69 ALA HB2 H 1 1.032 0.04 . 1 . . . . 118 ALA HB . 17085 1 723 . 1 1 69 69 ALA HB3 H 1 1.032 0.04 . 1 . . . . 118 ALA HB . 17085 1 724 . 1 1 69 69 ALA C C 13 174.964 0.4 . 1 . . . . 118 ALA C . 17085 1 725 . 1 1 69 69 ALA CA C 13 53.780 0.40 . 1 . . . . 118 ALA CA . 17085 1 726 . 1 1 69 69 ALA CB C 13 21.389 0.40 . 1 . . . . 118 ALA CB . 17085 1 727 . 1 1 69 69 ALA N N 15 121.732 0.40 . 1 . . . . 118 ALA N . 17085 1 728 . 1 1 70 70 LEU H H 1 7.730 0.04 . 1 . . . . 119 LEU H . 17085 1 729 . 1 1 70 70 LEU HA H 1 3.702 0.04 . 1 . . . . 119 LEU HA . 17085 1 730 . 1 1 70 70 LEU HB2 H 1 1.127 0.04 . 2 . . . . 119 LEU HB2 . 17085 1 731 . 1 1 70 70 LEU HB3 H 1 1.001 0.04 . 2 . . . . 119 LEU HB3 . 17085 1 732 . 1 1 70 70 LEU HD11 H 1 0.403 0.04 . 1 . . . . 119 LEU HD1 . 17085 1 733 . 1 1 70 70 LEU HD12 H 1 0.403 0.04 . 1 . . . . 119 LEU HD1 . 17085 1 734 . 1 1 70 70 LEU HD13 H 1 0.403 0.04 . 1 . . . . 119 LEU HD1 . 17085 1 735 . 1 1 70 70 LEU HD21 H 1 0.432 0.04 . 1 . . . . 119 LEU HD2 . 17085 1 736 . 1 1 70 70 LEU HD22 H 1 0.432 0.04 . 1 . . . . 119 LEU HD2 . 17085 1 737 . 1 1 70 70 LEU HD23 H 1 0.432 0.04 . 1 . . . . 119 LEU HD2 . 17085 1 738 . 1 1 70 70 LEU HG H 1 1.400 0.04 . 1 . . . . 119 LEU HG . 17085 1 739 . 1 1 70 70 LEU C C 13 174.274 0.4 . 1 . . . . 119 LEU C . 17085 1 740 . 1 1 70 70 LEU CA C 13 57.950 0.40 . 1 . . . . 119 LEU CA . 17085 1 741 . 1 1 70 70 LEU CB C 13 43.381 0.40 . 1 . . . . 119 LEU CB . 17085 1 742 . 1 1 70 70 LEU CD1 C 13 25.845 0.40 . 1 . . . . 119 LEU CD1 . 17085 1 743 . 1 1 70 70 LEU CD2 C 13 25.661 0.40 . 1 . . . . 119 LEU CD2 . 17085 1 744 . 1 1 70 70 LEU CG C 13 29.170 0.40 . 1 . . . . 119 LEU CG . 17085 1 745 . 1 1 70 70 LEU N N 15 115.680 0.40 . 1 . . . . 119 LEU N . 17085 1 746 . 1 1 71 71 ALA H H 1 8.655 0.04 . 1 . . . . 120 ALA H . 17085 1 747 . 1 1 71 71 ALA HA H 1 3.401 0.04 . 1 . . . . 120 ALA HA . 17085 1 748 . 1 1 71 71 ALA HB1 H 1 1.173 0.04 . 1 . . . . 120 ALA HB . 17085 1 749 . 1 1 71 71 ALA HB2 H 1 1.173 0.04 . 1 . . . . 120 ALA HB . 17085 1 750 . 1 1 71 71 ALA HB3 H 1 1.173 0.04 . 1 . . . . 120 ALA HB . 17085 1 751 . 1 1 71 71 ALA C C 13 175.061 0.4 . 1 . . . . 120 ALA C . 17085 1 752 . 1 1 71 71 ALA CA C 13 58.556 0.40 . 1 . . . . 120 ALA CA . 17085 1 753 . 1 1 71 71 ALA CB C 13 17.322 0.40 . 1 . . . . 120 ALA CB . 17085 1 754 . 1 1 71 71 ALA N N 15 126.264 0.40 . 1 . . . . 120 ALA N . 17085 1 755 . 1 1 72 72 TYR H H 1 7.802 0.04 . 1 . . . . 121 TYR H . 17085 1 756 . 1 1 72 72 TYR HA H 1 3.812 0.04 . 1 . . . . 121 TYR HA . 17085 1 757 . 1 1 72 72 TYR HB2 H 1 2.973 0.04 . 2 . . . . 121 TYR HB2 . 17085 1 758 . 1 1 72 72 TYR HB3 H 1 2.313 0.04 . 2 . . . . 121 TYR HB3 . 17085 1 759 . 1 1 72 72 TYR HD1 H 1 6.526 0.04 . 1 . . . . 121 TYR HD1 . 17085 1 760 . 1 1 72 72 TYR HE1 H 1 6.508 0.04 . 1 . . . . 121 TYR HE1 . 17085 1 761 . 1 1 72 72 TYR HE2 H 1 6.416 0.04 . 1 . . . . 121 TYR HE2 . 17085 1 762 . 1 1 72 72 TYR C C 13 174.705 0.4 . 1 . . . . 121 TYR C . 17085 1 763 . 1 1 72 72 TYR CA C 13 62.445 0.40 . 1 . . . . 121 TYR CA . 17085 1 764 . 1 1 72 72 TYR CB C 13 41.220 0.40 . 1 . . . . 121 TYR CB . 17085 1 765 . 1 1 72 72 TYR CD1 C 13 132.647 0.40 . 1 . . . . 121 TYR CD1 . 17085 1 766 . 1 1 72 72 TYR CE1 C 13 118.587 0.40 . 1 . . . . 121 TYR CE1 . 17085 1 767 . 1 1 72 72 TYR CE2 C 13 118.679 0.40 . 1 . . . . 121 TYR CE2 . 17085 1 768 . 1 1 72 72 TYR N N 15 117.283 0.40 . 1 . . . . 121 TYR N . 17085 1 769 . 1 1 73 73 ILE H H 1 6.680 0.04 . 1 . . . . 122 ILE H . 17085 1 770 . 1 1 73 73 ILE HA H 1 3.221 0.04 . 1 . . . . 122 ILE HA . 17085 1 771 . 1 1 73 73 ILE HB H 1 1.968 0.04 . 1 . . . . 122 ILE HB . 17085 1 772 . 1 1 73 73 ILE HD11 H 1 0.736 0.04 . 1 . . . . 122 ILE HD1 . 17085 1 773 . 1 1 73 73 ILE HD12 H 1 0.736 0.04 . 1 . . . . 122 ILE HD1 . 17085 1 774 . 1 1 73 73 ILE HD13 H 1 0.736 0.04 . 1 . . . . 122 ILE HD1 . 17085 1 775 . 1 1 73 73 ILE HG12 H 1 0.919 0.04 . 2 . . . . 122 ILE HG12 . 17085 1 776 . 1 1 73 73 ILE HG13 H 1 0.919 0.04 . 2 . . . . 122 ILE HG13 . 17085 1 777 . 1 1 73 73 ILE HG21 H 1 0.716 0.04 . 1 . . . . 122 ILE HG2 . 17085 1 778 . 1 1 73 73 ILE HG22 H 1 0.716 0.04 . 1 . . . . 122 ILE HG2 . 17085 1 779 . 1 1 73 73 ILE HG23 H 1 0.716 0.04 . 1 . . . . 122 ILE HG2 . 17085 1 780 . 1 1 73 73 ILE C C 13 176.419 0.4 . 1 . . . . 122 ILE C . 17085 1 781 . 1 1 73 73 ILE CA C 13 65.716 0.40 . 1 . . . . 122 ILE CA . 17085 1 782 . 1 1 73 73 ILE CB C 13 39.311 0.40 . 1 . . . . 122 ILE CB . 17085 1 783 . 1 1 73 73 ILE CD1 C 13 15.214 0.40 . 1 . . . . 122 ILE CD1 . 17085 1 784 . 1 1 73 73 ILE CG1 C 13 30.942 0.40 . 1 . . . . 122 ILE CG1 . 17085 1 785 . 1 1 73 73 ILE CG2 C 13 19.603 0.40 . 1 . . . . 122 ILE CG2 . 17085 1 786 . 1 1 73 73 ILE N N 15 118.461 0.40 . 1 . . . . 122 ILE N . 17085 1 787 . 1 1 74 74 MET H H 1 7.844 0.04 . 1 . . . . 123 MET H . 17085 1 788 . 1 1 74 74 MET HA H 1 3.928 0.04 . 1 . . . . 123 MET HA . 17085 1 789 . 1 1 74 74 MET HB2 H 1 2.076 0.04 . 2 . . . . 123 MET HB2 . 17085 1 790 . 1 1 74 74 MET HB3 H 1 2.076 0.04 . 2 . . . . 123 MET HB3 . 17085 1 791 . 1 1 74 74 MET HE1 H 1 1.681 0.04 . 1 . . . . 123 MET HE . 17085 1 792 . 1 1 74 74 MET HE2 H 1 1.681 0.04 . 1 . . . . 123 MET HE . 17085 1 793 . 1 1 74 74 MET HE3 H 1 1.681 0.04 . 1 . . . . 123 MET HE . 17085 1 794 . 1 1 74 74 MET C C 13 173.082 0.4 . 1 . . . . 123 MET C . 17085 1 795 . 1 1 74 74 MET CA C 13 60.472 0.40 . 1 . . . . 123 MET CA . 17085 1 796 . 1 1 74 74 MET CB C 13 34.512 0.40 . 1 . . . . 123 MET CB . 17085 1 797 . 1 1 74 74 MET CE C 13 17.788 0.40 . 1 . . . . 123 MET CE . 17085 1 798 . 1 1 74 74 MET N N 15 118.782 0.40 . 1 . . . . 123 MET N . 17085 1 799 . 1 1 75 75 ASP H H 1 8.945 0.04 . 1 . . . . 124 ASP H . 17085 1 800 . 1 1 75 75 ASP HA H 1 4.036 0.04 . 1 . . . . 124 ASP HA . 17085 1 801 . 1 1 75 75 ASP HB2 H 1 2.288 0.04 . 2 . . . . 124 ASP HB2 . 17085 1 802 . 1 1 75 75 ASP HB3 H 1 2.288 0.04 . 2 . . . . 124 ASP HB3 . 17085 1 803 . 1 1 75 75 ASP C C 13 176.032 0.4 . 1 . . . . 124 ASP C . 17085 1 804 . 1 1 75 75 ASP CA C 13 58.130 0.40 . 1 . . . . 124 ASP CA . 17085 1 805 . 1 1 75 75 ASP CB C 13 40.183 0.40 . 1 . . . . 124 ASP CB . 17085 1 806 . 1 1 75 75 ASP N N 15 122.688 0.40 . 1 . . . . 124 ASP N . 17085 1 807 . 1 1 76 76 ASN H H 1 6.832 0.04 . 1 . . . . 125 ASN H . 17085 1 808 . 1 1 76 76 ASN HA H 1 4.366 0.04 . 1 . . . . 125 ASN HA . 17085 1 809 . 1 1 76 76 ASN HB2 H 1 2.308 0.04 . 2 . . . . 125 ASN HB2 . 17085 1 810 . 1 1 76 76 ASN HB3 H 1 1.719 0.04 . 2 . . . . 125 ASN HB3 . 17085 1 811 . 1 1 76 76 ASN HD21 H 1 5.965 0.04 . 1 . . . . 125 ASN HD21 . 17085 1 812 . 1 1 76 76 ASN HD22 H 1 6.494 0.04 . 2 . . . . 125 ASN HD22 . 17085 1 813 . 1 1 76 76 ASN C C 13 181.188 0.4 . 1 . . . . 125 ASN C . 17085 1 814 . 1 1 76 76 ASN CA C 13 54.253 0.40 . 1 . . . . 125 ASN CA . 17085 1 815 . 1 1 76 76 ASN CB C 13 39.558 0.40 . 1 . . . . 125 ASN CB . 17085 1 816 . 1 1 76 76 ASN N N 15 114.207 0.40 . 1 . . . . 125 ASN N . 17085 1 817 . 1 1 76 76 ASN ND2 N 15 117.114 0.04 . 1 . . . . 125 ASN ND2 . 17085 1 818 . 1 1 77 77 LYS H H 1 7.445 0.04 . 1 . . . . 126 LYS H . 17085 1 819 . 1 1 77 77 LYS HA H 1 3.644 0.04 . 1 . . . . 126 LYS HA . 17085 1 820 . 1 1 77 77 LYS HB2 H 1 1.420 0.04 . 2 . . . . 126 LYS HB2 . 17085 1 821 . 1 1 77 77 LYS HB3 H 1 1.345 0.04 . 2 . . . . 126 LYS HB3 . 17085 1 822 . 1 1 77 77 LYS HD2 H 1 1.615 0.04 . 2 . . . . 126 LYS HD2 . 17085 1 823 . 1 1 77 77 LYS HD3 H 1 1.615 0.04 . 2 . . . . 126 LYS HD3 . 17085 1 824 . 1 1 77 77 LYS HE2 H 1 2.701 0.04 . 2 . . . . 126 LYS HE2 . 17085 1 825 . 1 1 77 77 LYS HE3 H 1 2.701 0.04 . 2 . . . . 126 LYS HE3 . 17085 1 826 . 1 1 77 77 LYS HG2 H 1 1.054 0.04 . 2 . . . . 126 LYS HG2 . 17085 1 827 . 1 1 77 77 LYS HG3 H 1 1.054 0.04 . 2 . . . . 126 LYS HG3 . 17085 1 828 . 1 1 77 77 LYS C C 13 177.049 0.4 . 1 . . . . 126 LYS C . 17085 1 829 . 1 1 77 77 LYS CA C 13 58.054 0.40 . 1 . . . . 126 LYS CA . 17085 1 830 . 1 1 77 77 LYS CB C 13 30.106 0.40 . 1 . . . . 126 LYS CB . 17085 1 831 . 1 1 77 77 LYS CD C 13 29.899 0.40 . 1 . . . . 126 LYS CD . 17085 1 832 . 1 1 77 77 LYS CE C 13 43.144 0.40 . 1 . . . . 126 LYS CE . 17085 1 833 . 1 1 77 77 LYS CG C 13 25.885 0.40 . 1 . . . . 126 LYS CG . 17085 1 834 . 1 1 77 77 LYS N N 15 117.474 0.40 . 1 . . . . 126 LYS N . 17085 1 835 . 1 1 78 78 LEU H H 1 8.100 0.04 . 1 . . . . 127 LEU H . 17085 1 836 . 1 1 78 78 LEU HA H 1 3.893 0.04 . 1 . . . . 127 LEU HA . 17085 1 837 . 1 1 78 78 LEU HB2 H 1 1.318 0.04 . 2 . . . . 127 LEU HB2 . 17085 1 838 . 1 1 78 78 LEU HB3 H 1 1.228 0.04 . 2 . . . . 127 LEU HB3 . 17085 1 839 . 1 1 78 78 LEU HD11 H 1 0.553 0.04 . 1 . . . . 127 LEU HD1 . 17085 1 840 . 1 1 78 78 LEU HD12 H 1 0.553 0.04 . 1 . . . . 127 LEU HD1 . 17085 1 841 . 1 1 78 78 LEU HD13 H 1 0.553 0.04 . 1 . . . . 127 LEU HD1 . 17085 1 842 . 1 1 78 78 LEU HD21 H 1 0.490 0.04 . 1 . . . . 127 LEU HD2 . 17085 1 843 . 1 1 78 78 LEU HD22 H 1 0.490 0.04 . 1 . . . . 127 LEU HD2 . 17085 1 844 . 1 1 78 78 LEU HD23 H 1 0.490 0.04 . 1 . . . . 127 LEU HD2 . 17085 1 845 . 1 1 78 78 LEU HG H 1 1.085 0.04 . 1 . . . . 127 LEU HG . 17085 1 846 . 1 1 78 78 LEU C C 13 176.535 0.4 . 1 . . . . 127 LEU C . 17085 1 847 . 1 1 78 78 LEU CA C 13 57.024 0.40 . 1 . . . . 127 LEU CA . 17085 1 848 . 1 1 78 78 LEU CB C 13 44.989 0.40 . 1 . . . . 127 LEU CB . 17085 1 849 . 1 1 78 78 LEU CD1 C 13 26.897 0.40 . 1 . . . . 127 LEU CD1 . 17085 1 850 . 1 1 78 78 LEU CD2 C 13 22.798 0.40 . 1 . . . . 127 LEU CD2 . 17085 1 851 . 1 1 78 78 LEU CG C 13 28.029 0.40 . 1 . . . . 127 LEU CG . 17085 1 852 . 1 1 78 78 LEU N N 15 116.609 0.40 . 1 . . . . 127 LEU N . 17085 1 853 . 1 1 79 79 ALA H H 1 6.966 0.04 . 1 . . . . 128 ALA H . 17085 1 854 . 1 1 79 79 ALA HA H 1 4.565 0.04 . 1 . . . . 128 ALA HA . 17085 1 855 . 1 1 79 79 ALA HB1 H 1 1.082 0.04 . 1 . . . . 128 ALA HB . 17085 1 856 . 1 1 79 79 ALA HB2 H 1 1.082 0.04 . 1 . . . . 128 ALA HB . 17085 1 857 . 1 1 79 79 ALA HB3 H 1 1.082 0.04 . 1 . . . . 128 ALA HB . 17085 1 858 . 1 1 79 79 ALA C C 13 177.870 0.4 . 1 . . . . 128 ALA C . 17085 1 859 . 1 1 79 79 ALA CA C 13 51.936 0.40 . 1 . . . . 128 ALA CA . 17085 1 860 . 1 1 79 79 ALA CB C 13 23.360 0.40 . 1 . . . . 128 ALA CB . 17085 1 861 . 1 1 79 79 ALA N N 15 116.304 0.40 . 1 . . . . 128 ALA N . 17085 1 862 . 1 1 80 80 GLN H H 1 9.272 0.04 . 1 . . . . 129 GLN H . 17085 1 863 . 1 1 80 80 GLN HA H 1 4.199 0.04 . 1 . . . . 129 GLN HA . 17085 1 864 . 1 1 80 80 GLN HB2 H 1 1.709 0.04 . 2 . . . . 129 GLN HB2 . 17085 1 865 . 1 1 80 80 GLN HB3 H 1 1.591 0.04 . 2 . . . . 129 GLN HB3 . 17085 1 866 . 1 1 80 80 GLN HG2 H 1 1.991 0.04 . 2 . . . . 129 GLN HG2 . 17085 1 867 . 1 1 80 80 GLN HG3 H 1 1.944 0.04 . 2 . . . . 129 GLN HG3 . 17085 1 868 . 1 1 80 80 GLN C C 13 178.649 0.4 . 1 . . . . 129 GLN C . 17085 1 869 . 1 1 80 80 GLN CA C 13 56.148 0.40 . 1 . . . . 129 GLN CA . 17085 1 870 . 1 1 80 80 GLN CB C 13 31.046 0.40 . 1 . . . . 129 GLN CB . 17085 1 871 . 1 1 80 80 GLN CG C 13 34.971 0.40 . 1 . . . . 129 GLN CG . 17085 1 872 . 1 1 80 80 GLN N N 15 122.289 0.40 . 1 . . . . 129 GLN N . 17085 1 873 . 1 1 81 81 ILE H H 1 8.222 0.04 . 1 . . . . 130 ILE H . 17085 1 874 . 1 1 81 81 ILE HA H 1 4.403 0.04 . 1 . . . . 130 ILE HA . 17085 1 875 . 1 1 81 81 ILE HB H 1 1.096 0.04 . 1 . . . . 130 ILE HB . 17085 1 876 . 1 1 81 81 ILE HD11 H 1 0.308 0.04 . 1 . . . . 130 ILE HD1 . 17085 1 877 . 1 1 81 81 ILE HD12 H 1 0.308 0.04 . 1 . . . . 130 ILE HD1 . 17085 1 878 . 1 1 81 81 ILE HD13 H 1 0.308 0.04 . 1 . . . . 130 ILE HD1 . 17085 1 879 . 1 1 81 81 ILE HG12 H 1 0.935 0.04 . 2 . . . . 130 ILE HG12 . 17085 1 880 . 1 1 81 81 ILE HG13 H 1 0.935 0.04 . 2 . . . . 130 ILE HG13 . 17085 1 881 . 1 1 81 81 ILE HG21 H 1 -0.182 0.04 . 1 . . . . 130 ILE HG2 . 17085 1 882 . 1 1 81 81 ILE HG22 H 1 -0.182 0.04 . 1 . . . . 130 ILE HG2 . 17085 1 883 . 1 1 81 81 ILE HG23 H 1 -0.182 0.04 . 1 . . . . 130 ILE HG2 . 17085 1 884 . 1 1 81 81 ILE C C 13 177.852 0.4 . 1 . . . . 130 ILE C . 17085 1 885 . 1 1 81 81 ILE CA C 13 61.104 0.40 . 1 . . . . 130 ILE CA . 17085 1 886 . 1 1 81 81 ILE CB C 13 40.530 0.40 . 1 . . . . 130 ILE CB . 17085 1 887 . 1 1 81 81 ILE CD1 C 13 15.504 0.40 . 1 . . . . 130 ILE CD1 . 17085 1 888 . 1 1 81 81 ILE CG1 C 13 27.585 0.40 . 1 . . . . 130 ILE CG1 . 17085 1 889 . 1 1 81 81 ILE CG2 C 13 18.648 0.40 . 1 . . . . 130 ILE CG2 . 17085 1 890 . 1 1 81 81 ILE N N 15 125.022 0.40 . 1 . . . . 130 ILE N . 17085 1 891 . 1 1 82 82 GLU H H 1 8.518 0.04 . 1 . . . . 131 GLU H . 17085 1 892 . 1 1 82 82 GLU HA H 1 4.469 0.04 . 1 . . . . 131 GLU HA . 17085 1 893 . 1 1 82 82 GLU HB2 H 1 1.727 0.04 . 2 . . . . 131 GLU HB2 . 17085 1 894 . 1 1 82 82 GLU HB3 H 1 1.727 0.04 . 2 . . . . 131 GLU HB3 . 17085 1 895 . 1 1 82 82 GLU HG2 H 1 1.894 0.04 . 2 . . . . 131 GLU HG2 . 17085 1 896 . 1 1 82 82 GLU HG3 H 1 1.809 0.04 . 2 . . . . 131 GLU HG3 . 17085 1 897 . 1 1 82 82 GLU C C 13 177.585 0.4 . 1 . . . . 131 GLU C . 17085 1 898 . 1 1 82 82 GLU CA C 13 55.013 0.40 . 1 . . . . 131 GLU CA . 17085 1 899 . 1 1 82 82 GLU CB C 13 33.208 0.40 . 1 . . . . 131 GLU CB . 17085 1 900 . 1 1 82 82 GLU CG C 13 37.080 0.40 . 1 . . . . 131 GLU CG . 17085 1 901 . 1 1 82 82 GLU N N 15 127.906 0.40 . 1 . . . . 131 GLU N . 17085 1 902 . 1 1 83 83 GLY H H 1 8.799 0.04 . 1 . . . . 132 GLY H . 17085 1 903 . 1 1 83 83 GLY HA2 H 1 4.892 0.04 . 2 . . . . 132 GLY HA2 . 17085 1 904 . 1 1 83 83 GLY HA3 H 1 2.670 0.04 . 2 . . . . 132 GLY HA3 . 17085 1 905 . 1 1 83 83 GLY C C 13 182.305 0.4 . 1 . . . . 132 GLY C . 17085 1 906 . 1 1 83 83 GLY CA C 13 45.493 0.40 . 1 . . . . 132 GLY CA . 17085 1 907 . 1 1 83 83 GLY N N 15 111.037 0.40 . 1 . . . . 132 GLY N . 17085 1 908 . 1 1 84 84 VAL H H 1 8.206 0.04 . 1 . . . . 133 VAL H . 17085 1 909 . 1 1 84 84 VAL HA H 1 4.450 0.04 . 1 . . . . 133 VAL HA . 17085 1 910 . 1 1 84 84 VAL HB H 1 1.549 0.04 . 1 . . . . 133 VAL HB . 17085 1 911 . 1 1 84 84 VAL HG11 H 1 0.473 0.04 . 1 . . . . 133 VAL HG1 . 17085 1 912 . 1 1 84 84 VAL HG12 H 1 0.473 0.04 . 1 . . . . 133 VAL HG1 . 17085 1 913 . 1 1 84 84 VAL HG13 H 1 0.473 0.04 . 1 . . . . 133 VAL HG1 . 17085 1 914 . 1 1 84 84 VAL HG21 H 1 0.412 0.04 . 1 . . . . 133 VAL HG2 . 17085 1 915 . 1 1 84 84 VAL HG22 H 1 0.412 0.04 . 1 . . . . 133 VAL HG2 . 17085 1 916 . 1 1 84 84 VAL HG23 H 1 0.412 0.04 . 1 . . . . 133 VAL HG2 . 17085 1 917 . 1 1 84 84 VAL C C 13 179.190 0.4 . 1 . . . . 133 VAL C . 17085 1 918 . 1 1 84 84 VAL CA C 13 60.787 0.40 . 1 . . . . 133 VAL CA . 17085 1 919 . 1 1 84 84 VAL CB C 13 37.564 0.40 . 1 . . . . 133 VAL CB . 17085 1 920 . 1 1 84 84 VAL CG1 C 13 22.407 0.40 . 1 . . . . 133 VAL CG1 . 17085 1 921 . 1 1 84 84 VAL CG2 C 13 21.572 0.40 . 1 . . . . 133 VAL CG2 . 17085 1 922 . 1 1 84 84 VAL N N 15 122.756 0.40 . 1 . . . . 133 VAL N . 17085 1 923 . 1 1 85 85 VAL H H 1 7.819 0.04 . 1 . . . . 134 VAL H . 17085 1 924 . 1 1 85 85 VAL HA H 1 4.279 0.04 . 1 . . . . 134 VAL HA . 17085 1 925 . 1 1 85 85 VAL HG11 H 1 0.596 0.04 . 1 . . . . 134 VAL HG1 . 17085 1 926 . 1 1 85 85 VAL HG12 H 1 0.596 0.04 . 1 . . . . 134 VAL HG1 . 17085 1 927 . 1 1 85 85 VAL HG13 H 1 0.596 0.04 . 1 . . . . 134 VAL HG1 . 17085 1 928 . 1 1 85 85 VAL CA C 13 60.264 0.40 . 1 . . . . 134 VAL CA . 17085 1 929 . 1 1 85 85 VAL CG1 C 13 21.621 0.40 . 1 . . . . 134 VAL CG1 . 17085 1 930 . 1 1 85 85 VAL N N 15 129.241 0.40 . 1 . . . . 134 VAL N . 17085 1 931 . 1 1 86 86 PRO HA H 1 4.017 0.04 . 1 . . . . 135 PRO HA . 17085 1 932 . 1 1 86 86 PRO HB2 H 1 1.458 0.04 . 2 . . . . 135 PRO HB2 . 17085 1 933 . 1 1 86 86 PRO HB3 H 1 1.458 0.04 . 2 . . . . 135 PRO HB3 . 17085 1 934 . 1 1 86 86 PRO C C 13 177.816 0.4 . 1 . . . . 135 PRO C . 17085 1 935 . 1 1 86 86 PRO CA C 13 64.797 0.40 . 1 . . . . 135 PRO CA . 17085 1 936 . 1 1 86 86 PRO CB C 13 33.057 0.40 . 1 . . . . 135 PRO CB . 17085 1 937 . 1 1 87 87 PHE H H 1 6.978 0.04 . 1 . . . . 136 PHE H . 17085 1 938 . 1 1 87 87 PHE HA H 1 4.225 0.04 . 1 . . . . 136 PHE HA . 17085 1 939 . 1 1 87 87 PHE HB2 H 1 2.973 0.04 . 2 . . . . 136 PHE HB2 . 17085 1 940 . 1 1 87 87 PHE HB3 H 1 2.716 0.04 . 2 . . . . 136 PHE HB3 . 17085 1 941 . 1 1 87 87 PHE HD1 H 1 6.781 0.04 . 1 . . . . 136 PHE HD1 . 17085 1 942 . 1 1 87 87 PHE HD2 H 1 6.781 0.04 . 1 . . . . 136 PHE HD2 . 17085 1 943 . 1 1 87 87 PHE HE1 H 1 6.985 0.04 . 1 . . . . 136 PHE HE1 . 17085 1 944 . 1 1 87 87 PHE HE2 H 1 6.985 0.04 . 1 . . . . 136 PHE HE2 . 17085 1 945 . 1 1 87 87 PHE CA C 13 57.128 0.40 . 1 . . . . 136 PHE CA . 17085 1 946 . 1 1 87 87 PHE CB C 13 40.105 0.40 . 1 . . . . 136 PHE CB . 17085 1 947 . 1 1 87 87 PHE CD1 C 13 132.197 0.40 . 1 . . . . 136 PHE CD1 . 17085 1 948 . 1 1 87 87 PHE CE1 C 13 129.815 0.40 . 1 . . . . 136 PHE CE1 . 17085 1 949 . 1 1 87 87 PHE N N 15 115.096 0.40 . 1 . . . . 136 PHE N . 17085 1 950 . 1 1 88 88 GLY HA2 H 1 3.567 0.04 . 2 . . . . 137 GLY HA2 . 17085 1 951 . 1 1 88 88 GLY HA3 H 1 3.523 0.04 . 2 . . . . 137 GLY HA3 . 17085 1 952 . 1 1 88 88 GLY C C 13 178.578 0.4 . 1 . . . . 137 GLY C . 17085 1 953 . 1 1 88 88 GLY CA C 13 46.724 0.40 . 1 . . . . 137 GLY CA . 17085 1 954 . 1 1 89 89 ALA H H 1 7.946 0.04 . 1 . . . . 138 ALA H . 17085 1 955 . 1 1 89 89 ALA HA H 1 3.863 0.04 . 1 . . . . 138 ALA HA . 17085 1 956 . 1 1 89 89 ALA HB1 H 1 0.935 0.04 . 1 . . . . 138 ALA HB . 17085 1 957 . 1 1 89 89 ALA HB2 H 1 0.935 0.04 . 1 . . . . 138 ALA HB . 17085 1 958 . 1 1 89 89 ALA HB3 H 1 0.935 0.04 . 1 . . . . 138 ALA HB . 17085 1 959 . 1 1 89 89 ALA C C 13 176.085 0.4 . 1 . . . . 138 ALA C . 17085 1 960 . 1 1 89 89 ALA CA C 13 54.444 0.40 . 1 . . . . 138 ALA CA . 17085 1 961 . 1 1 89 89 ALA CB C 13 19.644 0.40 . 1 . . . . 138 ALA CB . 17085 1 962 . 1 1 89 89 ALA N N 15 122.534 0.40 . 1 . . . . 138 ALA N . 17085 1 963 . 1 1 90 90 ASN H H 1 7.876 0.04 . 1 . . . . 139 ASN H . 17085 1 964 . 1 1 90 90 ASN HA H 1 4.403 0.04 . 1 . . . . 139 ASN HA . 17085 1 965 . 1 1 90 90 ASN HB2 H 1 2.514 0.04 . 2 . . . . 139 ASN HB2 . 17085 1 966 . 1 1 90 90 ASN HB3 H 1 2.514 0.04 . 2 . . . . 139 ASN HB3 . 17085 1 967 . 1 1 90 90 ASN HD21 H 1 7.272 0.04 . 1 . . . . 139 ASN HD21 . 17085 1 968 . 1 1 90 90 ASN HD22 H 1 6.617 0.04 . 2 . . . . 139 ASN HD22 . 17085 1 969 . 1 1 90 90 ASN C C 13 178.440 0.4 . 1 . . . . 139 ASN C . 17085 1 970 . 1 1 90 90 ASN CA C 13 53.615 0.40 . 1 . . . . 139 ASN CA . 17085 1 971 . 1 1 90 90 ASN CB C 13 39.245 0.40 . 1 . . . . 139 ASN CB . 17085 1 972 . 1 1 90 90 ASN N N 15 115.100 0.40 . 1 . . . . 139 ASN N . 17085 1 973 . 1 1 90 90 ASN ND2 N 15 113.750 0.04 . 1 . . . . 139 ASN ND2 . 17085 1 974 . 1 1 91 91 ASN H H 1 7.726 0.04 . 1 . . . . 140 ASN H . 17085 1 975 . 1 1 91 91 ASN HA H 1 4.160 0.04 . 1 . . . . 140 ASN HA . 17085 1 976 . 1 1 91 91 ASN HB2 H 1 2.738 0.04 . 2 . . . . 140 ASN HB2 . 17085 1 977 . 1 1 91 91 ASN HB3 H 1 2.547 0.04 . 2 . . . . 140 ASN HB3 . 17085 1 978 . 1 1 91 91 ASN C C 13 178.929 0.4 . 1 . . . . 140 ASN C . 17085 1 979 . 1 1 91 91 ASN CA C 13 54.341 0.40 . 1 . . . . 140 ASN CA . 17085 1 980 . 1 1 91 91 ASN CB C 13 40.406 0.40 . 1 . . . . 140 ASN CB . 17085 1 981 . 1 1 91 91 ASN N N 15 121.220 0.40 . 1 . . . . 140 ASN N . 17085 1 982 . 1 1 92 92 ALA H H 1 7.805 0.04 . 1 . . . . 141 ALA H . 17085 1 983 . 1 1 92 92 ALA HA H 1 3.672 0.04 . 1 . . . . 141 ALA HA . 17085 1 984 . 1 1 92 92 ALA HB1 H 1 0.584 0.04 . 1 . . . . 141 ALA HB . 17085 1 985 . 1 1 92 92 ALA HB2 H 1 0.584 0.04 . 1 . . . . 141 ALA HB . 17085 1 986 . 1 1 92 92 ALA HB3 H 1 0.584 0.04 . 1 . . . . 141 ALA HB . 17085 1 987 . 1 1 92 92 ALA CA C 13 54.091 0.40 . 1 . . . . 141 ALA CA . 17085 1 988 . 1 1 92 92 ALA CB C 13 20.441 0.40 . 1 . . . . 141 ALA CB . 17085 1 989 . 1 1 92 92 ALA N N 15 122.500 0.40 . 1 . . . . 141 ALA N . 17085 1 990 . 1 1 94 94 THR HA H 1 4.966 0.04 . 1 . . . . 143 THR HA . 17085 1 991 . 1 1 94 94 THR HB H 1 3.859 0.04 . 1 . . . . 143 THR HB . 17085 1 992 . 1 1 94 94 THR HG21 H 1 0.921 0.04 . 1 . . . . 143 THR HG2 . 17085 1 993 . 1 1 94 94 THR HG22 H 1 0.921 0.04 . 1 . . . . 143 THR HG2 . 17085 1 994 . 1 1 94 94 THR HG23 H 1 0.921 0.04 . 1 . . . . 143 THR HG2 . 17085 1 995 . 1 1 94 94 THR C C 13 181.231 0.4 . 1 . . . . 143 THR C . 17085 1 996 . 1 1 94 94 THR CA C 13 60.811 0.40 . 1 . . . . 143 THR CA . 17085 1 997 . 1 1 94 94 THR CB C 13 72.946 0.40 . 1 . . . . 143 THR CB . 17085 1 998 . 1 1 94 94 THR CG2 C 13 22.593 0.40 . 1 . . . . 143 THR CG2 . 17085 1 999 . 1 1 95 95 MET H H 1 8.581 0.04 . 1 . . . . 144 MET H . 17085 1 1000 . 1 1 95 95 MET N N 15 122.739 0.40 . 1 . . . . 144 MET N . 17085 1 1001 . 1 1 96 96 PRO HA H 1 4.281 0.04 . 1 . . . . 145 PRO HA . 17085 1 1002 . 1 1 96 96 PRO HB2 H 1 1.784 0.04 . 2 . . . . 145 PRO HB2 . 17085 1 1003 . 1 1 96 96 PRO HB3 H 1 1.784 0.04 . 2 . . . . 145 PRO HB3 . 17085 1 1004 . 1 1 96 96 PRO C C 13 179.583 0.4 . 1 . . . . 145 PRO C . 17085 1 1005 . 1 1 96 96 PRO CA C 13 63.506 0.40 . 1 . . . . 145 PRO CA . 17085 1 1006 . 1 1 96 96 PRO CB C 13 33.633 0.40 . 1 . . . . 145 PRO CB . 17085 1 1007 . 1 1 97 97 LEU H H 1 7.379 0.04 . 1 . . . . 146 LEU H . 17085 1 1008 . 1 1 97 97 LEU HA H 1 4.370 0.04 . 1 . . . . 146 LEU HA . 17085 1 1009 . 1 1 97 97 LEU HB2 H 1 0.877 0.04 . 2 . . . . 146 LEU HB2 . 17085 1 1010 . 1 1 97 97 LEU HB3 H 1 0.816 0.04 . 2 . . . . 146 LEU HB3 . 17085 1 1011 . 1 1 97 97 LEU HD11 H 1 0.278 0.04 . 1 . . . . 146 LEU HD1 . 17085 1 1012 . 1 1 97 97 LEU HD12 H 1 0.278 0.04 . 1 . . . . 146 LEU HD1 . 17085 1 1013 . 1 1 97 97 LEU HD13 H 1 0.278 0.04 . 1 . . . . 146 LEU HD1 . 17085 1 1014 . 1 1 97 97 LEU HD21 H 1 0.237 0.04 . 1 . . . . 146 LEU HD2 . 17085 1 1015 . 1 1 97 97 LEU HD22 H 1 0.237 0.04 . 1 . . . . 146 LEU HD2 . 17085 1 1016 . 1 1 97 97 LEU HD23 H 1 0.237 0.04 . 1 . . . . 146 LEU HD2 . 17085 1 1017 . 1 1 97 97 LEU HG H 1 0.832 0.04 . 1 . . . . 146 LEU HG . 17085 1 1018 . 1 1 97 97 LEU C C 13 178.839 0.4 . 1 . . . . 146 LEU C . 17085 1 1019 . 1 1 97 97 LEU CA C 13 54.239 0.40 . 1 . . . . 146 LEU CA . 17085 1 1020 . 1 1 97 97 LEU CB C 13 47.230 0.40 . 1 . . . . 146 LEU CB . 17085 1 1021 . 1 1 97 97 LEU CD1 C 13 27.193 0.40 . 1 . . . . 146 LEU CD1 . 17085 1 1022 . 1 1 97 97 LEU CD2 C 13 25.719 0.40 . 1 . . . . 146 LEU CD2 . 17085 1 1023 . 1 1 97 97 LEU CG C 13 28.587 0.40 . 1 . . . . 146 LEU CG . 17085 1 1024 . 1 1 97 97 LEU N N 15 117.560 0.40 . 1 . . . . 146 LEU N . 17085 1 1025 . 1 1 98 98 HIS H H 1 8.984 0.04 . 1 . . . . 147 HIS H . 17085 1 1026 . 1 1 98 98 HIS HA H 1 4.695 0.04 . 1 . . . . 147 HIS HA . 17085 1 1027 . 1 1 98 98 HIS HB2 H 1 2.890 0.04 . 2 . . . . 147 HIS HB2 . 17085 1 1028 . 1 1 98 98 HIS HB3 H 1 2.470 0.04 . 2 . . . . 147 HIS HB3 . 17085 1 1029 . 1 1 98 98 HIS C C 13 178.304 0.4 . 1 . . . . 147 HIS C . 17085 1 1030 . 1 1 98 98 HIS CA C 13 56.532 0.40 . 1 . . . . 147 HIS CA . 17085 1 1031 . 1 1 98 98 HIS CB C 13 32.855 0.40 . 1 . . . . 147 HIS CB . 17085 1 1032 . 1 1 98 98 HIS N N 15 128.425 0.40 . 1 . . . . 147 HIS N . 17085 1 1033 . 1 1 99 99 MET H H 1 8.571 0.04 . 1 . . . . 148 MET H . 17085 1 1034 . 1 1 99 99 MET HA H 1 5.111 0.04 . 1 . . . . 148 MET HA . 17085 1 1035 . 1 1 99 99 MET HE1 H 1 1.411 0.04 . 1 . . . . 148 MET HE . 17085 1 1036 . 1 1 99 99 MET HE2 H 1 1.411 0.04 . 1 . . . . 148 MET HE . 17085 1 1037 . 1 1 99 99 MET HE3 H 1 1.411 0.04 . 1 . . . . 148 MET HE . 17085 1 1038 . 1 1 99 99 MET C C 13 178.663 0.4 . 1 . . . . 148 MET C . 17085 1 1039 . 1 1 99 99 MET CA C 13 55.119 0.40 . 1 . . . . 148 MET CA . 17085 1 1040 . 1 1 99 99 MET CE C 13 18.525 0.40 . 1 . . . . 148 MET CE . 17085 1 1041 . 1 1 99 99 MET N N 15 127.451 0.40 . 1 . . . . 148 MET N . 17085 1 1042 . 1 1 100 100 THR H H 1 8.535 0.04 . 1 . . . . 149 THR H . 17085 1 1043 . 1 1 100 100 THR HA H 1 4.429 0.04 . 1 . . . . 149 THR HA . 17085 1 1044 . 1 1 100 100 THR HB H 1 3.552 0.04 . 1 . . . . 149 THR HB . 17085 1 1045 . 1 1 100 100 THR HG21 H 1 0.620 0.04 . 1 . . . . 149 THR HG2 . 17085 1 1046 . 1 1 100 100 THR HG22 H 1 0.620 0.04 . 1 . . . . 149 THR HG2 . 17085 1 1047 . 1 1 100 100 THR HG23 H 1 0.620 0.04 . 1 . . . . 149 THR HG2 . 17085 1 1048 . 1 1 100 100 THR C C 13 181.000 0.4 . 1 . . . . 149 THR C . 17085 1 1049 . 1 1 100 100 THR CA C 13 61.935 0.40 . 1 . . . . 149 THR CA . 17085 1 1050 . 1 1 100 100 THR CB C 13 71.497 0.40 . 1 . . . . 149 THR CB . 17085 1 1051 . 1 1 100 100 THR CG2 C 13 23.627 0.40 . 1 . . . . 149 THR CG2 . 17085 1 1052 . 1 1 100 100 THR N N 15 117.394 0.40 . 1 . . . . 149 THR N . 17085 1 1053 . 1 1 101 101 PHE H H 1 8.036 0.04 . 1 . . . . 150 PHE H . 17085 1 1054 . 1 1 101 101 PHE HA H 1 4.766 0.04 . 1 . . . . 150 PHE HA . 17085 1 1055 . 1 1 101 101 PHE HB2 H 1 2.744 0.04 . 2 . . . . 150 PHE HB2 . 17085 1 1056 . 1 1 101 101 PHE HB3 H 1 2.241 0.04 . 2 . . . . 150 PHE HB3 . 17085 1 1057 . 1 1 101 101 PHE C C 13 179.673 0.4 . 1 . . . . 150 PHE C . 17085 1 1058 . 1 1 101 101 PHE CA C 13 57.264 0.40 . 1 . . . . 150 PHE CA . 17085 1 1059 . 1 1 101 101 PHE CB C 13 43.314 0.40 . 1 . . . . 150 PHE CB . 17085 1 1060 . 1 1 101 101 PHE N N 15 123.479 0.40 . 1 . . . . 150 PHE N . 17085 1 1061 . 1 1 102 102 TRP H H 1 8.684 0.04 . 1 . . . . 151 TRP H . 17085 1 1062 . 1 1 102 102 TRP HA H 1 4.738 0.04 . 1 . . . . 151 TRP HA . 17085 1 1063 . 1 1 102 102 TRP HB2 H 1 2.639 0.04 . 2 . . . . 151 TRP HB2 . 17085 1 1064 . 1 1 102 102 TRP HB3 H 1 2.468 0.04 . 2 . . . . 151 TRP HB3 . 17085 1 1065 . 1 1 102 102 TRP HE1 H 1 9.713 0.04 . 1 . . . . 151 TRP HE1 . 17085 1 1066 . 1 1 102 102 TRP HE3 H 1 6.474 0.04 . 1 . . . . 151 TRP HE3 . 17085 1 1067 . 1 1 102 102 TRP HH2 H 1 6.834 0.04 . 1 . . . . 151 TRP HH2 . 17085 1 1068 . 1 1 102 102 TRP HZ2 H 1 7.094 0.04 . 1 . . . . 151 TRP HZ2 . 17085 1 1069 . 1 1 102 102 TRP HZ3 H 1 6.667 0.04 . 1 . . . . 151 TRP HZ3 . 17085 1 1070 . 1 1 102 102 TRP C C 13 178.095 0.4 . 1 . . . . 151 TRP C . 17085 1 1071 . 1 1 102 102 TRP CA C 13 55.806 0.40 . 1 . . . . 151 TRP CA . 17085 1 1072 . 1 1 102 102 TRP CB C 13 33.733 0.40 . 1 . . . . 151 TRP CB . 17085 1 1073 . 1 1 102 102 TRP CH2 C 13 124.303 0.40 . 1 . . . . 151 TRP CH2 . 17085 1 1074 . 1 1 102 102 TRP CZ2 C 13 114.683 0.40 . 1 . . . . 151 TRP CZ2 . 17085 1 1075 . 1 1 102 102 TRP CZ3 C 13 122.127 0.40 . 1 . . . . 151 TRP CZ3 . 17085 1 1076 . 1 1 102 102 TRP N N 15 124.715 0.40 . 1 . . . . 151 TRP N . 17085 1 1077 . 1 1 102 102 TRP NE1 N 15 130.176 0.04 . 1 . . . . 151 TRP NE1 . 17085 1 1078 . 1 1 103 103 GLY H H 1 8.032 0.04 . 1 . . . . 152 GLY H . 17085 1 1079 . 1 1 103 103 GLY HA2 H 1 3.866 0.04 . 2 . . . . 152 GLY HA2 . 17085 1 1080 . 1 1 103 103 GLY HA3 H 1 3.691 0.04 . 2 . . . . 152 GLY HA3 . 17085 1 1081 . 1 1 103 103 GLY C C 13 181.937 0.4 . 1 . . . . 152 GLY C . 17085 1 1082 . 1 1 103 103 GLY CA C 13 47.435 0.40 . 1 . . . . 152 GLY CA . 17085 1 1083 . 1 1 103 103 GLY N N 15 107.996 0.40 . 1 . . . . 152 GLY N . 17085 1 1084 . 1 1 104 104 LYS H H 1 8.783 0.04 . 1 . . . . 153 LYS H . 17085 1 1085 . 1 1 104 104 LYS HA H 1 4.409 0.04 . 1 . . . . 153 LYS HA . 17085 1 1086 . 1 1 104 104 LYS HB2 H 1 1.837 0.04 . 2 . . . . 153 LYS HB2 . 17085 1 1087 . 1 1 104 104 LYS HB3 H 1 1.435 0.04 . 2 . . . . 153 LYS HB3 . 17085 1 1088 . 1 1 104 104 LYS HD2 H 1 1.371 0.04 . 2 . . . . 153 LYS HD2 . 17085 1 1089 . 1 1 104 104 LYS HD3 H 1 1.371 0.04 . 2 . . . . 153 LYS HD3 . 17085 1 1090 . 1 1 104 104 LYS HE2 H 1 2.700 0.04 . 2 . . . . 153 LYS HE2 . 17085 1 1091 . 1 1 104 104 LYS HE3 H 1 2.700 0.04 . 2 . . . . 153 LYS HE3 . 17085 1 1092 . 1 1 104 104 LYS HG2 H 1 1.279 0.04 . 2 . . . . 153 LYS HG2 . 17085 1 1093 . 1 1 104 104 LYS HG3 H 1 1.279 0.04 . 2 . . . . 153 LYS HG3 . 17085 1 1094 . 1 1 104 104 LYS C C 13 174.722 0.4 . 1 . . . . 153 LYS C . 17085 1 1095 . 1 1 104 104 LYS CA C 13 55.940 0.40 . 1 . . . . 153 LYS CA . 17085 1 1096 . 1 1 104 104 LYS CB C 13 34.494 0.40 . 1 . . . . 153 LYS CB . 17085 1 1097 . 1 1 104 104 LYS CD C 13 30.039 0.40 . 1 . . . . 153 LYS CD . 17085 1 1098 . 1 1 104 104 LYS CE C 13 42.996 0.40 . 1 . . . . 153 LYS CE . 17085 1 1099 . 1 1 104 104 LYS CG C 13 25.836 0.40 . 1 . . . . 153 LYS CG . 17085 1 1100 . 1 1 104 104 LYS N N 15 121.134 0.40 . 1 . . . . 153 LYS N . 17085 1 1101 . 1 1 105 105 GLU H H 1 9.089 0.04 . 1 . . . . 154 GLU H . 17085 1 1102 . 1 1 105 105 GLU HA H 1 3.728 0.04 . 1 . . . . 154 GLU HA . 17085 1 1103 . 1 1 105 105 GLU HB2 H 1 2.002 0.04 . 2 . . . . 154 GLU HB2 . 17085 1 1104 . 1 1 105 105 GLU HB3 H 1 1.703 0.04 . 2 . . . . 154 GLU HB3 . 17085 1 1105 . 1 1 105 105 GLU HG2 H 1 2.161 0.04 . 2 . . . . 154 GLU HG2 . 17085 1 1106 . 1 1 105 105 GLU HG3 H 1 1.953 0.04 . 2 . . . . 154 GLU HG3 . 17085 1 1107 . 1 1 105 105 GLU C C 13 174.970 0.4 . 1 . . . . 154 GLU C . 17085 1 1108 . 1 1 105 105 GLU CA C 13 61.057 0.40 . 1 . . . . 154 GLU CA . 17085 1 1109 . 1 1 105 105 GLU CB C 13 30.593 0.40 . 1 . . . . 154 GLU CB . 17085 1 1110 . 1 1 105 105 GLU CG C 13 35.903 0.40 . 1 . . . . 154 GLU CG . 17085 1 1111 . 1 1 105 105 GLU N N 15 126.261 0.40 . 1 . . . . 154 GLU N . 17085 1 1112 . 1 1 106 106 GLU H H 1 9.035 0.04 . 1 . . . . 155 GLU H . 17085 1 1113 . 1 1 106 106 GLU HA H 1 3.942 0.04 . 1 . . . . 155 GLU HA . 17085 1 1114 . 1 1 106 106 GLU HB2 H 1 1.817 0.04 . 2 . . . . 155 GLU HB2 . 17085 1 1115 . 1 1 106 106 GLU HB3 H 1 1.742 0.04 . 2 . . . . 155 GLU HB3 . 17085 1 1116 . 1 1 106 106 GLU HG2 H 1 1.891 0.04 . 2 . . . . 155 GLU HG2 . 17085 1 1117 . 1 1 106 106 GLU HG3 H 1 1.891 0.04 . 2 . . . . 155 GLU HG3 . 17085 1 1118 . 1 1 106 106 GLU C C 13 176.497 0.4 . 1 . . . . 155 GLU C . 17085 1 1119 . 1 1 106 106 GLU CA C 13 59.623 0.40 . 1 . . . . 155 GLU CA . 17085 1 1120 . 1 1 106 106 GLU CB C 13 29.859 0.40 . 1 . . . . 155 GLU CB . 17085 1 1121 . 1 1 106 106 GLU CG C 13 36.569 0.40 . 1 . . . . 155 GLU CG . 17085 1 1122 . 1 1 106 106 GLU N N 15 116.126 0.40 . 1 . . . . 155 GLU N . 17085 1 1123 . 1 1 107 107 ASN H H 1 8.021 0.04 . 1 . . . . 156 ASN H . 17085 1 1124 . 1 1 107 107 ASN HA H 1 4.859 0.04 . 1 . . . . 156 ASN HA . 17085 1 1125 . 1 1 107 107 ASN HB2 H 1 2.960 0.04 . 2 . . . . 156 ASN HB2 . 17085 1 1126 . 1 1 107 107 ASN HB3 H 1 2.784 0.04 . 2 . . . . 156 ASN HB3 . 17085 1 1127 . 1 1 107 107 ASN HD21 H 1 7.017 0.04 . 1 . . . . 156 ASN HD21 . 17085 1 1128 . 1 1 107 107 ASN HD22 H 1 8.131 0.04 . 2 . . . . 156 ASN HD22 . 17085 1 1129 . 1 1 107 107 ASN C C 13 179.188 0.4 . 1 . . . . 156 ASN C . 17085 1 1130 . 1 1 107 107 ASN CA C 13 53.994 0.40 . 1 . . . . 156 ASN CA . 17085 1 1131 . 1 1 107 107 ASN CB C 13 41.180 0.40 . 1 . . . . 156 ASN CB . 17085 1 1132 . 1 1 107 107 ASN N N 15 118.015 0.40 . 1 . . . . 156 ASN N . 17085 1 1133 . 1 1 107 107 ASN ND2 N 15 114.561 0.04 . 1 . . . . 156 ASN ND2 . 17085 1 1134 . 1 1 108 108 ARG H H 1 7.429 0.04 . 1 . . . . 157 ARG H . 17085 1 1135 . 1 1 108 108 ARG HA H 1 1.930 0.04 . 1 . . . . 157 ARG HA . 17085 1 1136 . 1 1 108 108 ARG HB2 H 1 1.312 0.04 . 2 . . . . 157 ARG HB2 . 17085 1 1137 . 1 1 108 108 ARG HB3 H 1 1.261 0.04 . 2 . . . . 157 ARG HB3 . 17085 1 1138 . 1 1 108 108 ARG HD2 H 1 3.004 0.04 . 2 . . . . 157 ARG HD2 . 17085 1 1139 . 1 1 108 108 ARG HD3 H 1 2.655 0.04 . 2 . . . . 157 ARG HD3 . 17085 1 1140 . 1 1 108 108 ARG HG2 H 1 0.723 0.04 . 2 . . . . 157 ARG HG2 . 17085 1 1141 . 1 1 108 108 ARG HG3 H 1 0.533 0.04 . 2 . . . . 157 ARG HG3 . 17085 1 1142 . 1 1 108 108 ARG C C 13 175.016 0.4 . 1 . . . . 157 ARG C . 17085 1 1143 . 1 1 108 108 ARG CA C 13 61.323 0.40 . 1 . . . . 157 ARG CA . 17085 1 1144 . 1 1 108 108 ARG CB C 13 32.223 0.40 . 1 . . . . 157 ARG CB . 17085 1 1145 . 1 1 108 108 ARG CD C 13 44.464 0.40 . 1 . . . . 157 ARG CD . 17085 1 1146 . 1 1 108 108 ARG CG C 13 27.957 0.40 . 1 . . . . 157 ARG CG . 17085 1 1147 . 1 1 108 108 ARG N N 15 123.975 0.40 . 1 . . . . 157 ARG N . 17085 1 1148 . 1 1 109 109 LYS H H 1 8.264 0.04 . 1 . . . . 158 LYS H . 17085 1 1149 . 1 1 109 109 LYS HA H 1 3.551 0.04 . 1 . . . . 158 LYS HA . 17085 1 1150 . 1 1 109 109 LYS HB2 H 1 1.496 0.04 . 2 . . . . 158 LYS HB2 . 17085 1 1151 . 1 1 109 109 LYS HB3 H 1 1.411 0.04 . 2 . . . . 158 LYS HB3 . 17085 1 1152 . 1 1 109 109 LYS HD2 H 1 1.374 0.04 . 2 . . . . 158 LYS HD2 . 17085 1 1153 . 1 1 109 109 LYS HD3 H 1 1.275 0.04 . 2 . . . . 158 LYS HD3 . 17085 1 1154 . 1 1 109 109 LYS HE2 H 1 2.684 0.04 . 2 . . . . 158 LYS HE2 . 17085 1 1155 . 1 1 109 109 LYS HE3 H 1 2.684 0.04 . 2 . . . . 158 LYS HE3 . 17085 1 1156 . 1 1 109 109 LYS HG2 H 1 1.020 0.04 . 2 . . . . 158 LYS HG2 . 17085 1 1157 . 1 1 109 109 LYS HG3 H 1 1.020 0.04 . 2 . . . . 158 LYS HG3 . 17085 1 1158 . 1 1 109 109 LYS C C 13 175.837 0.4 . 1 . . . . 158 LYS C . 17085 1 1159 . 1 1 109 109 LYS CA C 13 60.282 0.40 . 1 . . . . 158 LYS CA . 17085 1 1160 . 1 1 109 109 LYS CB C 13 32.560 0.40 . 1 . . . . 158 LYS CB . 17085 1 1161 . 1 1 109 109 LYS CD C 13 29.937 0.40 . 1 . . . . 158 LYS CD . 17085 1 1162 . 1 1 109 109 LYS CE C 13 43.137 0.40 . 1 . . . . 158 LYS CE . 17085 1 1163 . 1 1 109 109 LYS CG C 13 25.762 0.40 . 1 . . . . 158 LYS CG . 17085 1 1164 . 1 1 109 109 LYS N N 15 120.813 0.40 . 1 . . . . 158 LYS N . 17085 1 1165 . 1 1 110 110 ALA H H 1 7.850 0.04 . 1 . . . . 159 ALA H . 17085 1 1166 . 1 1 110 110 ALA HA H 1 3.829 0.04 . 1 . . . . 159 ALA HA . 17085 1 1167 . 1 1 110 110 ALA HB1 H 1 1.230 0.04 . 1 . . . . 159 ALA HB . 17085 1 1168 . 1 1 110 110 ALA HB2 H 1 1.230 0.04 . 1 . . . . 159 ALA HB . 17085 1 1169 . 1 1 110 110 ALA HB3 H 1 1.230 0.04 . 1 . . . . 159 ALA HB . 17085 1 1170 . 1 1 110 110 ALA C C 13 171.737 0.4 . 1 . . . . 159 ALA C . 17085 1 1171 . 1 1 110 110 ALA CA C 13 55.767 0.40 . 1 . . . . 159 ALA CA . 17085 1 1172 . 1 1 110 110 ALA CB C 13 19.514 0.40 . 1 . . . . 159 ALA CB . 17085 1 1173 . 1 1 110 110 ALA N N 15 122.231 0.40 . 1 . . . . 159 ALA N . 17085 1 1174 . 1 1 111 111 VAL H H 1 7.386 0.04 . 1 . . . . 160 VAL H . 17085 1 1175 . 1 1 111 111 VAL HA H 1 3.032 0.04 . 1 . . . . 160 VAL HA . 17085 1 1176 . 1 1 111 111 VAL HB H 1 1.518 0.04 . 1 . . . . 160 VAL HB . 17085 1 1177 . 1 1 111 111 VAL HG11 H 1 0.320 0.04 . 1 . . . . 160 VAL HG1 . 17085 1 1178 . 1 1 111 111 VAL HG12 H 1 0.320 0.04 . 1 . . . . 160 VAL HG1 . 17085 1 1179 . 1 1 111 111 VAL HG13 H 1 0.320 0.04 . 1 . . . . 160 VAL HG1 . 17085 1 1180 . 1 1 111 111 VAL HG21 H 1 0.761 0.04 . 1 . . . . 160 VAL HG2 . 17085 1 1181 . 1 1 111 111 VAL HG22 H 1 0.761 0.04 . 1 . . . . 160 VAL HG2 . 17085 1 1182 . 1 1 111 111 VAL HG23 H 1 0.761 0.04 . 1 . . . . 160 VAL HG2 . 17085 1 1183 . 1 1 111 111 VAL C C 13 176.546 0.4 . 1 . . . . 160 VAL C . 17085 1 1184 . 1 1 111 111 VAL CA C 13 68.162 0.40 . 1 . . . . 160 VAL CA . 17085 1 1185 . 1 1 111 111 VAL CB C 13 32.262 0.40 . 1 . . . . 160 VAL CB . 17085 1 1186 . 1 1 111 111 VAL CG1 C 13 21.695 0.40 . 1 . . . . 160 VAL CG1 . 17085 1 1187 . 1 1 111 111 VAL CG2 C 13 26.986 0.40 . 1 . . . . 160 VAL CG2 . 17085 1 1188 . 1 1 111 111 VAL N N 15 118.907 0.40 . 1 . . . . 160 VAL N . 17085 1 1189 . 1 1 112 112 SER H H 1 7.766 0.04 . 1 . . . . 161 SER H . 17085 1 1190 . 1 1 112 112 SER HB2 H 1 3.556 0.04 . 2 . . . . 161 SER HB2 . 17085 1 1191 . 1 1 112 112 SER HB3 H 1 3.556 0.04 . 2 . . . . 161 SER HB3 . 17085 1 1192 . 1 1 112 112 SER C C 13 175.795 0.4 . 1 . . . . 161 SER C . 17085 1 1193 . 1 1 112 112 SER CB C 13 63.611 0.40 . 1 . . . . 161 SER CB . 17085 1 1194 . 1 1 112 112 SER N N 15 115.833 0.40 . 1 . . . . 161 SER N . 17085 1 1195 . 1 1 113 113 ASP H H 1 8.991 0.04 . 1 . . . . 162 ASP H . 17085 1 1196 . 1 1 113 113 ASP HA H 1 4.034 0.04 . 1 . . . . 162 ASP HA . 17085 1 1197 . 1 1 113 113 ASP HB2 H 1 2.458 0.04 . 2 . . . . 162 ASP HB2 . 17085 1 1198 . 1 1 113 113 ASP HB3 H 1 2.218 0.04 . 2 . . . . 162 ASP HB3 . 17085 1 1199 . 1 1 113 113 ASP C C 13 174.634 0.4 . 1 . . . . 162 ASP C . 17085 1 1200 . 1 1 113 113 ASP CA C 13 58.127 0.40 . 1 . . . . 162 ASP CA . 17085 1 1201 . 1 1 113 113 ASP CB C 13 40.879 0.40 . 1 . . . . 162 ASP CB . 17085 1 1202 . 1 1 113 113 ASP N N 15 122.732 0.40 . 1 . . . . 162 ASP N . 17085 1 1203 . 1 1 114 114 GLN H H 1 7.298 0.04 . 1 . . . . 163 GLN H . 17085 1 1204 . 1 1 114 114 GLN HA H 1 3.929 0.04 . 1 . . . . 163 GLN HA . 17085 1 1205 . 1 1 114 114 GLN HB2 H 1 1.878 0.04 . 2 . . . . 163 GLN HB2 . 17085 1 1206 . 1 1 114 114 GLN HB3 H 1 1.742 0.04 . 2 . . . . 163 GLN HB3 . 17085 1 1207 . 1 1 114 114 GLN HE21 H 1 6.665 0.04 . 1 . . . . 163 GLN HE21 . 17085 1 1208 . 1 1 114 114 GLN HE22 H 1 7.364 0.04 . 2 . . . . 163 GLN HE22 . 17085 1 1209 . 1 1 114 114 GLN HG2 H 1 2.248 0.04 . 2 . . . . 163 GLN HG2 . 17085 1 1210 . 1 1 114 114 GLN HG3 H 1 2.062 0.04 . 2 . . . . 163 GLN HG3 . 17085 1 1211 . 1 1 114 114 GLN C C 13 175.800 0.4 . 1 . . . . 163 GLN C . 17085 1 1212 . 1 1 114 114 GLN CA C 13 58.978 0.40 . 1 . . . . 163 GLN CA . 17085 1 1213 . 1 1 114 114 GLN CB C 13 27.176 0.40 . 1 . . . . 163 GLN CB . 17085 1 1214 . 1 1 114 114 GLN CG C 13 33.399 0.40 . 1 . . . . 163 GLN CG . 17085 1 1215 . 1 1 114 114 GLN N N 15 121.757 0.40 . 1 . . . . 163 GLN N . 17085 1 1216 . 1 1 114 114 GLN NE2 N 15 116.183 0.04 . 1 . . . . 163 GLN NE2 . 17085 1 1217 . 1 1 115 115 LEU H H 1 7.528 0.04 . 1 . . . . 164 LEU H . 17085 1 1218 . 1 1 115 115 LEU HA H 1 3.727 0.04 . 1 . . . . 164 LEU HA . 17085 1 1219 . 1 1 115 115 LEU HB2 H 1 1.405 0.04 . 2 . . . . 164 LEU HB2 . 17085 1 1220 . 1 1 115 115 LEU HB3 H 1 1.007 0.04 . 2 . . . . 164 LEU HB3 . 17085 1 1221 . 1 1 115 115 LEU HD11 H 1 -0.059 0.04 . 1 . . . . 164 LEU HD1 . 17085 1 1222 . 1 1 115 115 LEU HD12 H 1 -0.059 0.04 . 1 . . . . 164 LEU HD1 . 17085 1 1223 . 1 1 115 115 LEU HD13 H 1 -0.059 0.04 . 1 . . . . 164 LEU HD1 . 17085 1 1224 . 1 1 115 115 LEU HD21 H 1 0.164 0.04 . 1 . . . . 164 LEU HD2 . 17085 1 1225 . 1 1 115 115 LEU HD22 H 1 0.164 0.04 . 1 . . . . 164 LEU HD2 . 17085 1 1226 . 1 1 115 115 LEU HD23 H 1 0.164 0.04 . 1 . . . . 164 LEU HD2 . 17085 1 1227 . 1 1 115 115 LEU C C 13 173.531 0.4 . 1 . . . . 164 LEU C . 17085 1 1228 . 1 1 115 115 LEU CA C 13 59.423 0.40 . 1 . . . . 164 LEU CA . 17085 1 1229 . 1 1 115 115 LEU CB C 13 41.502 0.40 . 1 . . . . 164 LEU CB . 17085 1 1230 . 1 1 115 115 LEU CD1 C 13 27.222 0.40 . 1 . . . . 164 LEU CD1 . 17085 1 1231 . 1 1 115 115 LEU CD2 C 13 23.795 0.40 . 1 . . . . 164 LEU CD2 . 17085 1 1232 . 1 1 115 115 LEU N N 15 118.413 0.40 . 1 . . . . 164 LEU N . 17085 1 1233 . 1 1 116 116 LYS H H 1 8.162 0.04 . 1 . . . . 165 LYS H . 17085 1 1234 . 1 1 116 116 LYS HA H 1 3.913 0.04 . 1 . . . . 165 LYS HA . 17085 1 1235 . 1 1 116 116 LYS HB2 H 1 1.721 0.04 . 2 . . . . 165 LYS HB2 . 17085 1 1236 . 1 1 116 116 LYS HB3 H 1 1.626 0.04 . 2 . . . . 165 LYS HB3 . 17085 1 1237 . 1 1 116 116 LYS HD2 H 1 1.368 0.04 . 2 . . . . 165 LYS HD2 . 17085 1 1238 . 1 1 116 116 LYS HD3 H 1 1.368 0.04 . 2 . . . . 165 LYS HD3 . 17085 1 1239 . 1 1 116 116 LYS HE2 H 1 2.624 0.04 . 2 . . . . 165 LYS HE2 . 17085 1 1240 . 1 1 116 116 LYS HE3 H 1 2.624 0.04 . 2 . . . . 165 LYS HE3 . 17085 1 1241 . 1 1 116 116 LYS HG2 H 1 1.211 0.04 . 2 . . . . 165 LYS HG2 . 17085 1 1242 . 1 1 116 116 LYS HG3 H 1 1.126 0.04 . 2 . . . . 165 LYS HG3 . 17085 1 1243 . 1 1 116 116 LYS C C 13 172.855 0.4 . 1 . . . . 165 LYS C . 17085 1 1244 . 1 1 116 116 LYS CA C 13 60.635 0.40 . 1 . . . . 165 LYS CA . 17085 1 1245 . 1 1 116 116 LYS CB C 13 33.238 0.40 . 1 . . . . 165 LYS CB . 17085 1 1246 . 1 1 116 116 LYS CD C 13 30.381 0.40 . 1 . . . . 165 LYS CD . 17085 1 1247 . 1 1 116 116 LYS CE C 13 42.877 0.40 . 1 . . . . 165 LYS CE . 17085 1 1248 . 1 1 116 116 LYS CG C 13 25.840 0.40 . 1 . . . . 165 LYS CG . 17085 1 1249 . 1 1 116 116 LYS N N 15 122.741 0.40 . 1 . . . . 165 LYS N . 17085 1 1250 . 1 1 117 117 LYS H H 1 7.553 0.04 . 1 . . . . 166 LYS H . 17085 1 1251 . 1 1 117 117 LYS HA H 1 3.683 0.04 . 1 . . . . 166 LYS HA . 17085 1 1252 . 1 1 117 117 LYS HB2 H 1 1.459 0.04 . 2 . . . . 166 LYS HB2 . 17085 1 1253 . 1 1 117 117 LYS HB3 H 1 1.459 0.04 . 2 . . . . 166 LYS HB3 . 17085 1 1254 . 1 1 117 117 LYS HD2 H 1 1.233 0.04 . 2 . . . . 166 LYS HD2 . 17085 1 1255 . 1 1 117 117 LYS HD3 H 1 1.233 0.04 . 2 . . . . 166 LYS HD3 . 17085 1 1256 . 1 1 117 117 LYS HE2 H 1 2.519 0.04 . 2 . . . . 166 LYS HE2 . 17085 1 1257 . 1 1 117 117 LYS HE3 H 1 2.519 0.04 . 2 . . . . 166 LYS HE3 . 17085 1 1258 . 1 1 117 117 LYS HG2 H 1 1.036 0.04 . 2 . . . . 166 LYS HG2 . 17085 1 1259 . 1 1 117 117 LYS HG3 H 1 0.899 0.04 . 2 . . . . 166 LYS HG3 . 17085 1 1260 . 1 1 117 117 LYS C C 13 176.599 0.4 . 1 . . . . 166 LYS C . 17085 1 1261 . 1 1 117 117 LYS CA C 13 59.701 0.40 . 1 . . . . 166 LYS CA . 17085 1 1262 . 1 1 117 117 LYS CB C 13 33.059 0.40 . 1 . . . . 166 LYS CB . 17085 1 1263 . 1 1 117 117 LYS CD C 13 30.339 0.40 . 1 . . . . 166 LYS CD . 17085 1 1264 . 1 1 117 117 LYS CE C 13 42.845 0.40 . 1 . . . . 166 LYS CE . 17085 1 1265 . 1 1 117 117 LYS CG C 13 25.747 0.40 . 1 . . . . 166 LYS CG . 17085 1 1266 . 1 1 117 117 LYS N N 15 121.096 0.40 . 1 . . . . 166 LYS N . 17085 1 1267 . 1 1 118 118 HIS H H 1 7.040 0.04 . 1 . . . . 167 HIS H . 17085 1 1268 . 1 1 118 118 HIS HA H 1 4.177 0.04 . 1 . . . . 167 HIS HA . 17085 1 1269 . 1 1 118 118 HIS HB2 H 1 3.413 0.04 . 2 . . . . 167 HIS HB2 . 17085 1 1270 . 1 1 118 118 HIS HB3 H 1 2.656 0.04 . 2 . . . . 167 HIS HB3 . 17085 1 1271 . 1 1 118 118 HIS C C 13 179.751 0.4 . 1 . . . . 167 HIS C . 17085 1 1272 . 1 1 118 118 HIS CA C 13 56.788 0.40 . 1 . . . . 167 HIS CA . 17085 1 1273 . 1 1 118 118 HIS CB C 13 33.380 0.40 . 1 . . . . 167 HIS CB . 17085 1 1274 . 1 1 118 118 HIS N N 15 116.253 0.40 . 1 . . . . 167 HIS N . 17085 1 1275 . 1 1 119 119 GLY H H 1 7.453 0.04 . 1 . . . . 168 GLY H . 17085 1 1276 . 1 1 119 119 GLY HA2 H 1 3.583 0.04 . 2 . . . . 168 GLY HA2 . 17085 1 1277 . 1 1 119 119 GLY HA3 H 1 3.324 0.04 . 2 . . . . 168 GLY HA3 . 17085 1 1278 . 1 1 119 119 GLY C C 13 179.606 0.4 . 1 . . . . 168 GLY C . 17085 1 1279 . 1 1 119 119 GLY CA C 13 46.427 0.40 . 1 . . . . 168 GLY CA . 17085 1 1280 . 1 1 119 119 GLY N N 15 107.281 0.40 . 1 . . . . 168 GLY N . 17085 1 1281 . 1 1 120 120 PHE H H 1 7.674 0.04 . 1 . . . . 169 PHE H . 17085 1 1282 . 1 1 120 120 PHE HA H 1 4.536 0.04 . 1 . . . . 169 PHE HA . 17085 1 1283 . 1 1 120 120 PHE HB2 H 1 2.617 0.04 . 2 . . . . 169 PHE HB2 . 17085 1 1284 . 1 1 120 120 PHE HB3 H 1 2.268 0.04 . 2 . . . . 169 PHE HB3 . 17085 1 1285 . 1 1 120 120 PHE C C 13 179.382 0.4 . 1 . . . . 169 PHE C . 17085 1 1286 . 1 1 120 120 PHE CA C 13 57.826 0.40 . 1 . . . . 169 PHE CA . 17085 1 1287 . 1 1 120 120 PHE CB C 13 43.025 0.40 . 1 . . . . 169 PHE CB . 17085 1 1288 . 1 1 120 120 PHE N N 15 120.414 0.40 . 1 . . . . 169 PHE N . 17085 1 1289 . 1 1 121 121 LYS H H 1 8.022 0.04 . 1 . . . . 170 LYS H . 17085 1 1290 . 1 1 121 121 LYS HA H 1 4.074 0.04 . 1 . . . . 170 LYS HA . 17085 1 1291 . 1 1 121 121 LYS HB2 H 1 1.492 0.04 . 2 . . . . 170 LYS HB2 . 17085 1 1292 . 1 1 121 121 LYS HB3 H 1 1.383 0.04 . 2 . . . . 170 LYS HB3 . 17085 1 1293 . 1 1 121 121 LYS HD2 H 1 1.312 0.04 . 2 . . . . 170 LYS HD2 . 17085 1 1294 . 1 1 121 121 LYS HD3 H 1 1.312 0.04 . 2 . . . . 170 LYS HD3 . 17085 1 1295 . 1 1 121 121 LYS HE2 H 1 2.639 0.04 . 2 . . . . 170 LYS HE2 . 17085 1 1296 . 1 1 121 121 LYS HE3 H 1 2.639 0.04 . 2 . . . . 170 LYS HE3 . 17085 1 1297 . 1 1 121 121 LYS HG2 H 1 1.056 0.04 . 2 . . . . 170 LYS HG2 . 17085 1 1298 . 1 1 121 121 LYS HG3 H 1 1.016 0.04 . 2 . . . . 170 LYS HG3 . 17085 1 1299 . 1 1 121 121 LYS C C 13 179.500 0.4 . 1 . . . . 170 LYS C . 17085 1 1300 . 1 1 121 121 LYS CA C 13 56.606 0.40 . 1 . . . . 170 LYS CA . 17085 1 1301 . 1 1 121 121 LYS CB C 13 35.665 0.40 . 1 . . . . 170 LYS CB . 17085 1 1302 . 1 1 121 121 LYS CD C 13 30.226 0.40 . 1 . . . . 170 LYS CD . 17085 1 1303 . 1 1 121 121 LYS CE C 13 42.925 0.40 . 1 . . . . 170 LYS CE . 17085 1 1304 . 1 1 121 121 LYS CG C 13 24.721 0.40 . 1 . . . . 170 LYS CG . 17085 1 1305 . 1 1 121 121 LYS N N 15 121.411 0.40 . 1 . . . . 170 LYS N . 17085 1 1306 . 1 1 122 122 LEU H H 1 7.572 0.04 . 1 . . . . 171 LEU H . 17085 1 1307 . 1 1 122 122 LEU HA H 1 4.333 0.04 . 1 . . . . 171 LEU HA . 17085 1 1308 . 1 1 122 122 LEU HB2 H 1 1.221 0.04 . 2 . . . . 171 LEU HB2 . 17085 1 1309 . 1 1 122 122 LEU HB3 H 1 1.132 0.04 . 2 . . . . 171 LEU HB3 . 17085 1 1310 . 1 1 122 122 LEU HD21 H 1 0.346 0.04 . 1 . . . . 171 LEU HD2 . 17085 1 1311 . 1 1 122 122 LEU HD22 H 1 0.346 0.04 . 1 . . . . 171 LEU HD2 . 17085 1 1312 . 1 1 122 122 LEU HD23 H 1 0.346 0.04 . 1 . . . . 171 LEU HD2 . 17085 1 1313 . 1 1 122 122 LEU HG H 1 0.444 0.04 . 1 . . . . 171 LEU HG . 17085 1 1314 . 1 1 122 122 LEU C C 13 176.435 0.4 . 1 . . . . 171 LEU C . 17085 1 1315 . 1 1 122 122 LEU CA C 13 55.905 0.40 . 1 . . . . 171 LEU CA . 17085 1 1316 . 1 1 122 122 LEU CB C 13 43.627 0.40 . 1 . . . . 171 LEU CB . 17085 1 1317 . 1 1 122 122 LEU CD2 C 13 25.406 0.40 . 1 . . . . 171 LEU CD2 . 17085 1 1318 . 1 1 122 122 LEU CG C 13 26.886 0.40 . 1 . . . . 171 LEU CG . 17085 1 1319 . 1 1 122 122 LEU N N 15 129.302 0.40 . 1 . . . . 171 LEU N . 17085 1 stop_ save_