data_11065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11065 _Entry.Title ; Solution structure of the 4.1R FERM alpha lobe domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-09 _Entry.Accession_date 2009-01-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hideki Kusunoki . . . 11065 2 Toshiyuki Kohno . . . 11065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 11065 '15N chemical shifts' 109 11065 '1H chemical shifts' 777 11065 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-05-05 2009-01-09 update BMRB 'complete entry citation' 11065 1 . . 2009-04-23 2009-01-09 original author 'original release' 11065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1GG3 . 11065 PDB 2RQ1 'BMRB Entry Tracking System' 11065 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11065 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19338061 _Citation.Full_citation . _Citation.Title ; Solution structure and glycophorin C binding studies of the 4.1R FERM alpha-lobe domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full 'Proteins: Structure, Function, and Bioinformatics' _Citation.Journal_volume 76 _Citation.Journal_issue 1 _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 255 _Citation.Page_last 260 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hideki Kusunoki . . . 11065 1 2 Toshiyuki Kohno . . . 11065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11065 _Assembly.ID 1 _Assembly.Name '4.1R FERM alpha-lobe 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 '4.1R FERM alpha-lobe domain' 1 $entity A . yes native no no . . . 11065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11065 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '4.1R FERM alpha-lobe domain' _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 ; GSHMDPAQLTEDITRYYLCL QLRQDIVAGRLPCSFATLAL LGSYTIQSELGDYDPELHGV DYVSDFKLAPNQTKELEEKV MELHKSYRSMTPAQADLEFL ENAKKLSMY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '79, G' _Entity.Polymer_author_seq_details 'Residues 79-82 represent vector-derived amino acid residues' _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12420.137 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GG3 . "Crystal Structure Of The Protein 4.1r Membrane Binding Domain" . . . . . 96.33 279 100.00 100.00 7.50e-68 . . . . 11065 1 2 no PDB 2RQ1 . "Solution Structure Of The 4.1r Ferm Alpha Lobe Domain" . . . . . 99.08 109 100.00 100.00 1.11e-72 . . . . 11065 1 3 no PDB 3QIJ . "Primitive-Monoclinic Crystal Structure Of The Ferm Domain Of Protein 4.1r" . . . . . 96.33 296 100.00 100.00 1.24e-67 . . . . 11065 1 4 no DBJ BAD90280 . "mKIAA4056 protein [Mus musculus]" . . . . . 96.33 844 99.05 100.00 1.14e-64 . . . . 11065 1 5 no DBJ BAD92886 . "Protein 4.1 variant [Homo sapiens]" . . . . . 96.33 827 99.05 99.05 6.12e-64 . . . . 11065 1 6 no DBJ BAE27807 . "unnamed protein product [Mus musculus]" . . . . . 96.33 476 99.05 100.00 2.88e-66 . . . . 11065 1 7 no DBJ BAE28045 . "unnamed protein product [Mus musculus]" . . . . . 96.33 476 99.05 100.00 2.88e-66 . . . . 11065 1 8 no DBJ BAG84710 . "erythrocyte protein band 4.1 [Mus musculus]" . . . . . 96.33 823 99.05 100.00 9.74e-65 . . . . 11065 1 9 no EMBL CDR98361 . "Protein 4.1R, partial [Mus musculus]" . . . . . 96.33 765 99.05 100.00 1.88e-64 . . . . 11065 1 10 no EMBL CDR98362 . "Protein 4.1R, partial [Mus musculus]" . . . . . 96.33 615 99.05 100.00 3.08e-65 . . . . 11065 1 11 no GB AAA35793 . "erythroid protein 4.1 isoform A [Homo sapiens]" . . . . . 96.33 775 100.00 100.00 2.11e-65 . . . . 11065 1 12 no GB AAA35794 . "erythroid protein 4.1 isoform B [Homo sapiens]" . . . . . 96.33 566 100.00 100.00 2.24e-66 . . . . 11065 1 13 no GB AAA35795 . "4.1 protein [Homo sapiens]" . . . . . 96.33 588 100.00 100.00 7.31e-66 . . . . 11065 1 14 no GB AAA35797 . "erythroid membrane protein 4.1 [Homo sapiens]" . . . . . 96.33 641 100.00 100.00 1.12e-65 . . . . 11065 1 15 no GB AAA37122 . "protein 4.1, partial [Mus musculus domesticus]" . . . . . 96.33 700 99.05 100.00 7.69e-65 . . . . 11065 1 16 no REF NP_001003362 . "protein 4.1 [Canis lupus familiaris]" . . . . . 96.33 810 97.14 99.05 1.69e-63 . . . . 11065 1 17 no REF NP_001122078 . "protein 4.1 isoform 2 [Mus musculus]" . . . . . 96.33 804 99.05 100.00 1.16e-64 . . . . 11065 1 18 no REF NP_001122079 . "protein 4.1 isoform 3 [Mus musculus]" . . . . . 96.33 594 99.05 100.00 2.22e-65 . . . . 11065 1 19 no REF NP_001159477 . "protein 4.1 isoform 1 [Homo sapiens]" . . . . . 96.33 864 100.00 100.00 4.94e-65 . . . . 11065 1 20 no REF NP_001159478 . "protein 4.1 isoform 3 [Homo sapiens]" . . . . . 96.33 720 100.00 100.00 2.89e-65 . . . . 11065 1 21 no SP P11171 . "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1; AltName: Full=EPB4.1" . . . . . 96.33 864 100.00 100.00 4.94e-65 . . . . 11065 1 22 no SP P48193 . "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" . . . . . 96.33 858 99.05 100.00 1.17e-64 . . . . 11065 1 23 no SP Q6Q7P4 . "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" . . . . . 96.33 810 97.14 99.05 1.69e-63 . . . . 11065 1 24 no SP Q9N179 . "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" . . . . . 96.33 617 98.10 99.05 1.28e-64 . . . . 11065 1 25 no TPG DAA32059 . "TPA: protein 4.1 [Bos taurus]" . . . . . 96.33 566 98.10 99.05 7.95e-65 . . . . 11065 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 79 GLY . 11065 1 2 80 SER . 11065 1 3 81 HIS . 11065 1 4 82 MET . 11065 1 5 83 ASP . 11065 1 6 84 PRO . 11065 1 7 85 ALA . 11065 1 8 86 GLN . 11065 1 9 87 LEU . 11065 1 10 88 THR . 11065 1 11 89 GLU . 11065 1 12 90 ASP . 11065 1 13 91 ILE . 11065 1 14 92 THR . 11065 1 15 93 ARG . 11065 1 16 94 TYR . 11065 1 17 95 TYR . 11065 1 18 96 LEU . 11065 1 19 97 CYS . 11065 1 20 98 LEU . 11065 1 21 99 GLN . 11065 1 22 100 LEU . 11065 1 23 101 ARG . 11065 1 24 102 GLN . 11065 1 25 103 ASP . 11065 1 26 104 ILE . 11065 1 27 105 VAL . 11065 1 28 106 ALA . 11065 1 29 107 GLY . 11065 1 30 108 ARG . 11065 1 31 109 LEU . 11065 1 32 110 PRO . 11065 1 33 111 CYS . 11065 1 34 112 SER . 11065 1 35 113 PHE . 11065 1 36 114 ALA . 11065 1 37 115 THR . 11065 1 38 116 LEU . 11065 1 39 117 ALA . 11065 1 40 118 LEU . 11065 1 41 119 LEU . 11065 1 42 120 GLY . 11065 1 43 121 SER . 11065 1 44 122 TYR . 11065 1 45 123 THR . 11065 1 46 124 ILE . 11065 1 47 125 GLN . 11065 1 48 126 SER . 11065 1 49 127 GLU . 11065 1 50 128 LEU . 11065 1 51 129 GLY . 11065 1 52 130 ASP . 11065 1 53 131 TYR . 11065 1 54 132 ASP . 11065 1 55 133 PRO . 11065 1 56 134 GLU . 11065 1 57 135 LEU . 11065 1 58 136 HIS . 11065 1 59 137 GLY . 11065 1 60 138 VAL . 11065 1 61 139 ASP . 11065 1 62 140 TYR . 11065 1 63 141 VAL . 11065 1 64 142 SER . 11065 1 65 143 ASP . 11065 1 66 144 PHE . 11065 1 67 145 LYS . 11065 1 68 146 LEU . 11065 1 69 147 ALA . 11065 1 70 148 PRO . 11065 1 71 149 ASN . 11065 1 72 150 GLN . 11065 1 73 151 THR . 11065 1 74 152 LYS . 11065 1 75 153 GLU . 11065 1 76 154 LEU . 11065 1 77 155 GLU . 11065 1 78 156 GLU . 11065 1 79 157 LYS . 11065 1 80 158 VAL . 11065 1 81 159 MET . 11065 1 82 160 GLU . 11065 1 83 161 LEU . 11065 1 84 162 HIS . 11065 1 85 163 LYS . 11065 1 86 164 SER . 11065 1 87 165 TYR . 11065 1 88 166 ARG . 11065 1 89 167 SER . 11065 1 90 168 MET . 11065 1 91 169 THR . 11065 1 92 170 PRO . 11065 1 93 171 ALA . 11065 1 94 172 GLN . 11065 1 95 173 ALA . 11065 1 96 174 ASP . 11065 1 97 175 LEU . 11065 1 98 176 GLU . 11065 1 99 177 PHE . 11065 1 100 178 LEU . 11065 1 101 179 GLU . 11065 1 102 180 ASN . 11065 1 103 181 ALA . 11065 1 104 182 LYS . 11065 1 105 183 LYS . 11065 1 106 184 LEU . 11065 1 107 185 SER . 11065 1 108 186 MET . 11065 1 109 187 TYR . 11065 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 11065 1 . SER 2 2 11065 1 . HIS 3 3 11065 1 . MET 4 4 11065 1 . ASP 5 5 11065 1 . PRO 6 6 11065 1 . ALA 7 7 11065 1 . GLN 8 8 11065 1 . LEU 9 9 11065 1 . THR 10 10 11065 1 . GLU 11 11 11065 1 . ASP 12 12 11065 1 . ILE 13 13 11065 1 . THR 14 14 11065 1 . ARG 15 15 11065 1 . TYR 16 16 11065 1 . TYR 17 17 11065 1 . LEU 18 18 11065 1 . CYS 19 19 11065 1 . LEU 20 20 11065 1 . GLN 21 21 11065 1 . LEU 22 22 11065 1 . ARG 23 23 11065 1 . GLN 24 24 11065 1 . ASP 25 25 11065 1 . ILE 26 26 11065 1 . VAL 27 27 11065 1 . ALA 28 28 11065 1 . GLY 29 29 11065 1 . ARG 30 30 11065 1 . LEU 31 31 11065 1 . PRO 32 32 11065 1 . CYS 33 33 11065 1 . SER 34 34 11065 1 . PHE 35 35 11065 1 . ALA 36 36 11065 1 . THR 37 37 11065 1 . LEU 38 38 11065 1 . ALA 39 39 11065 1 . LEU 40 40 11065 1 . LEU 41 41 11065 1 . GLY 42 42 11065 1 . SER 43 43 11065 1 . TYR 44 44 11065 1 . THR 45 45 11065 1 . ILE 46 46 11065 1 . GLN 47 47 11065 1 . SER 48 48 11065 1 . GLU 49 49 11065 1 . LEU 50 50 11065 1 . GLY 51 51 11065 1 . ASP 52 52 11065 1 . TYR 53 53 11065 1 . ASP 54 54 11065 1 . PRO 55 55 11065 1 . GLU 56 56 11065 1 . LEU 57 57 11065 1 . HIS 58 58 11065 1 . GLY 59 59 11065 1 . VAL 60 60 11065 1 . ASP 61 61 11065 1 . TYR 62 62 11065 1 . VAL 63 63 11065 1 . SER 64 64 11065 1 . ASP 65 65 11065 1 . PHE 66 66 11065 1 . LYS 67 67 11065 1 . LEU 68 68 11065 1 . ALA 69 69 11065 1 . PRO 70 70 11065 1 . ASN 71 71 11065 1 . GLN 72 72 11065 1 . THR 73 73 11065 1 . LYS 74 74 11065 1 . GLU 75 75 11065 1 . LEU 76 76 11065 1 . GLU 77 77 11065 1 . GLU 78 78 11065 1 . LYS 79 79 11065 1 . VAL 80 80 11065 1 . MET 81 81 11065 1 . GLU 82 82 11065 1 . LEU 83 83 11065 1 . HIS 84 84 11065 1 . LYS 85 85 11065 1 . SER 86 86 11065 1 . TYR 87 87 11065 1 . ARG 88 88 11065 1 . SER 89 89 11065 1 . MET 90 90 11065 1 . THR 91 91 11065 1 . PRO 92 92 11065 1 . ALA 93 93 11065 1 . GLN 94 94 11065 1 . ALA 95 95 11065 1 . ASP 96 96 11065 1 . LEU 97 97 11065 1 . GLU 98 98 11065 1 . PHE 99 99 11065 1 . LEU 100 100 11065 1 . GLU 101 101 11065 1 . ASN 102 102 11065 1 . ALA 103 103 11065 1 . LYS 104 104 11065 1 . LYS 105 105 11065 1 . LEU 106 106 11065 1 . SER 107 107 11065 1 . MET 108 108 11065 1 . TYR 109 109 11065 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 11065 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11065 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 11065 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . pET15b . . . . . . 11065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11065 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '4.1R FERM alpha-lobe domain' 'natural abundance' . . 1 $entity . protein . 0.12 0.8 mM . . . . 11065 1 2 NaCl . . . . . . salt 45 . . mM . . . . 11065 1 3 D2O . . . . . . solvent 100 . . % . . . . 11065 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11065 _Sample.ID 2 _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 '4.1R FERM alpha-lobe domain' '[U-98% 15N]' . . 1 $entity . protein . 0.12 0.8 mM . . . . 11065 2 2 NaCl . . . . . . salt 45 . . mM . . . . 11065 2 3 H2O . . . . . . solvent 90 . . % . . . . 11065 2 4 D2O . . . . . . solvent 10 . . % . . . . 11065 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11065 _Sample.ID 3 _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 '4.1R FERM alpha-lobe domain' '[U-98% 13C; U-98% 15N]' . . 1 $entity . protein . 0.12 0.8 mM . . . . 11065 3 2 NaCl . . . . . . salt 45 . . mM . . . . 11065 3 3 H2O . . . . . . solvent 90 . . % . . . . 11065 3 4 D2O . . . . . . solvent 10 . . % . . . . 11065 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11065 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '4.1R FERM alpha-lobe domain' '[U-98% 13C; U-98% 15N]' . . 1 $entity . protein . 0.12 0.8 mM . . . . 11065 4 2 NaCl . . . . . . salt 45 . . mM . . . . 11065 4 3 D2O . . . . . . solvent 100 . . % . . . . 11065 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 11065 _Sample.ID 5 _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 '4.1R FERM alpha-lobe domain' '[U-10% 13C; U-98% 15N]' . . 1 $entity . protein 0.48 . . mM . . . . 11065 5 2 NaCl . . . . . . salt 45 . . mM . . . . 11065 5 3 H2O . . . . . . solvent 90 . . % . . . . 11065 5 4 D2O . . . . . . solvent 10 . . % . . . . 11065 5 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 11065 _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' 45 . mM 11065 1 pH 6.4 . pH 11065 1 pressure 1 . atm 11065 1 temperature 298 . K 11065 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11065 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11065 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11065 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11065 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE collection' 11065 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11065 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11065 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11065 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11065 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11065 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11065 4 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 11065 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 11065 _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 . 500 . . . 11065 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 11065 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 3 '3D 1H-13C NOESY No1' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 4 '3D 1H-13C NOESY No2' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 5 '2D 1H-15N HSQC No1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 6 '2D 1H-15N HSQC No2' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 7 '2D 1H-13C HSQC No1' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 8 '2D 1H-13C HSQC No2' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 11 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 12 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 13 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 14 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 15 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 16 '3D HCCH-TOCSY No1' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 17 '3D HCCH-TOCSY No2' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 18 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 19 '3D HNHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 20 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 1 21 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11065 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 11065 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 11065 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11065 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11065 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 11065 _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-1H NOESY' 1 $sample_1 isotropic 11065 1 2 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11065 1 3 '3D 1H-13C NOESY No1' 3 $sample_3 isotropic 11065 1 4 '3D 1H-13C NOESY No2' 4 $sample_4 isotropic 11065 1 5 '2D 1H-15N HSQC No1' 2 $sample_2 isotropic 11065 1 6 '2D 1H-15N HSQC No2' 3 $sample_3 isotropic 11065 1 7 '2D 1H-13C HSQC No1' 3 $sample_3 isotropic 11065 1 8 '2D 1H-13C HSQC No2' 5 $sample_5 isotropic 11065 1 9 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11065 1 10 '3D CBCA(CO)NH' 3 $sample_3 isotropic 11065 1 11 '3D C(CO)NH' 3 $sample_3 isotropic 11065 1 12 '3D HNCO' 3 $sample_3 isotropic 11065 1 13 '3D HNCA' 3 $sample_3 isotropic 11065 1 14 '3D HNCACB' 3 $sample_3 isotropic 11065 1 15 '3D H(CCO)NH' 3 $sample_3 isotropic 11065 1 16 '3D HCCH-TOCSY No1' 3 $sample_3 isotropic 11065 1 17 '3D HCCH-TOCSY No2' 4 $sample_4 isotropic 11065 1 18 '3D HNHA' 3 $sample_3 isotropic 11065 1 19 '3D HNHB' 3 $sample_3 isotropic 11065 1 20 '3D HN(CO)CA' 3 $sample_3 isotropic 11065 1 21 '3D HN(CA)CO' 3 $sample_3 isotropic 11065 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 3.879 0.020 . 2 . . . . 79 GLY HA2 . 11065 1 2 . 1 1 1 1 GLY HA3 H 1 3.879 0.020 . 2 . . . . 79 GLY HA3 . 11065 1 3 . 1 1 1 1 GLY CA C 13 43.287 0.300 . 1 . . . . 79 GLY CA . 11065 1 4 . 1 1 2 2 SER HA H 1 4.477 0.020 . 1 . . . . 80 SER HA . 11065 1 5 . 1 1 2 2 SER HB2 H 1 3.826 0.020 . 2 . . . . 80 SER HB2 . 11065 1 6 . 1 1 2 2 SER HB3 H 1 3.826 0.020 . 2 . . . . 80 SER HB3 . 11065 1 7 . 1 1 2 2 SER CA C 13 58.344 0.300 . 1 . . . . 80 SER CA . 11065 1 8 . 1 1 2 2 SER CB C 13 64.002 0.300 . 1 . . . . 80 SER CB . 11065 1 9 . 1 1 3 3 HIS HA H 1 4.614 0.020 . 1 . . . . 81 HIS HA . 11065 1 10 . 1 1 3 3 HIS HB2 H 1 3.048 0.020 . 2 . . . . 81 HIS HB2 . 11065 1 11 . 1 1 3 3 HIS HB3 H 1 3.118 0.020 . 2 . . . . 81 HIS HB3 . 11065 1 12 . 1 1 3 3 HIS HD2 H 1 7.083 0.020 . 1 . . . . 81 HIS HD2 . 11065 1 13 . 1 1 3 3 HIS C C 13 174.681 0.300 . 1 . . . . 81 HIS C . 11065 1 14 . 1 1 3 3 HIS CA C 13 56.231 0.300 . 1 . . . . 81 HIS CA . 11065 1 15 . 1 1 3 3 HIS CB C 13 29.839 0.300 . 1 . . . . 81 HIS CB . 11065 1 16 . 1 1 3 3 HIS CD2 C 13 119.836 0.300 . 1 . . . . 81 HIS CD2 . 11065 1 17 . 1 1 4 4 MET H H 1 8.285 0.020 . 1 . . . . 82 MET H . 11065 1 18 . 1 1 4 4 MET HA H 1 4.416 0.020 . 1 . . . . 82 MET HA . 11065 1 19 . 1 1 4 4 MET HB2 H 1 1.884 0.020 . 2 . . . . 82 MET HB2 . 11065 1 20 . 1 1 4 4 MET HB3 H 1 1.978 0.020 . 2 . . . . 82 MET HB3 . 11065 1 21 . 1 1 4 4 MET HE1 H 1 2.034 0.020 . 1 . . . . 82 MET HE . 11065 1 22 . 1 1 4 4 MET HE2 H 1 2.034 0.020 . 1 . . . . 82 MET HE . 11065 1 23 . 1 1 4 4 MET HE3 H 1 2.034 0.020 . 1 . . . . 82 MET HE . 11065 1 24 . 1 1 4 4 MET HG2 H 1 2.439 0.020 . 2 . . . . 82 MET HG2 . 11065 1 25 . 1 1 4 4 MET HG3 H 1 2.407 0.020 . 2 . . . . 82 MET HG3 . 11065 1 26 . 1 1 4 4 MET C C 13 175.286 0.300 . 1 . . . . 82 MET C . 11065 1 27 . 1 1 4 4 MET CA C 13 55.165 0.300 . 1 . . . . 82 MET CA . 11065 1 28 . 1 1 4 4 MET CB C 13 32.988 0.300 . 1 . . . . 82 MET CB . 11065 1 29 . 1 1 4 4 MET CE C 13 17.007 0.300 . 1 . . . . 82 MET CE . 11065 1 30 . 1 1 4 4 MET CG C 13 31.815 0.300 . 1 . . . . 82 MET CG . 11065 1 31 . 1 1 4 4 MET N N 15 121.559 0.300 . 1 . . . . 82 MET N . 11065 1 32 . 1 1 5 5 ASP H H 1 8.362 0.020 . 1 . . . . 83 ASP H . 11065 1 33 . 1 1 5 5 ASP HA H 1 4.844 0.020 . 1 . . . . 83 ASP HA . 11065 1 34 . 1 1 5 5 ASP HB2 H 1 2.775 0.020 . 2 . . . . 83 ASP HB2 . 11065 1 35 . 1 1 5 5 ASP HB3 H 1 2.598 0.020 . 2 . . . . 83 ASP HB3 . 11065 1 36 . 1 1 5 5 ASP C C 13 175.239 0.300 . 1 . . . . 83 ASP C . 11065 1 37 . 1 1 5 5 ASP CA C 13 52.238 0.300 . 1 . . . . 83 ASP CA . 11065 1 38 . 1 1 5 5 ASP CB C 13 41.471 0.300 . 1 . . . . 83 ASP CB . 11065 1 39 . 1 1 5 5 ASP N N 15 124.060 0.300 . 1 . . . . 83 ASP N . 11065 1 40 . 1 1 6 6 PRO HA H 1 4.327 0.020 . 1 . . . . 84 PRO HA . 11065 1 41 . 1 1 6 6 PRO HB2 H 1 2.306 0.020 . 2 . . . . 84 PRO HB2 . 11065 1 42 . 1 1 6 6 PRO HB3 H 1 1.979 0.020 . 2 . . . . 84 PRO HB3 . 11065 1 43 . 1 1 6 6 PRO HD2 H 1 3.924 0.020 . 2 . . . . 84 PRO HD2 . 11065 1 44 . 1 1 6 6 PRO HD3 H 1 3.844 0.020 . 2 . . . . 84 PRO HD3 . 11065 1 45 . 1 1 6 6 PRO HG2 H 1 2.028 0.020 . 2 . . . . 84 PRO HG2 . 11065 1 46 . 1 1 6 6 PRO HG3 H 1 2.028 0.020 . 2 . . . . 84 PRO HG3 . 11065 1 47 . 1 1 6 6 PRO C C 13 177.388 0.300 . 1 . . . . 84 PRO C . 11065 1 48 . 1 1 6 6 PRO CA C 13 64.084 0.300 . 1 . . . . 84 PRO CA . 11065 1 49 . 1 1 6 6 PRO CB C 13 32.022 0.300 . 1 . . . . 84 PRO CB . 11065 1 50 . 1 1 6 6 PRO CD C 13 50.927 0.300 . 1 . . . . 84 PRO CD . 11065 1 51 . 1 1 6 6 PRO CG C 13 27.315 0.300 . 1 . . . . 84 PRO CG . 11065 1 52 . 1 1 7 7 ALA H H 1 8.406 0.020 . 1 . . . . 85 ALA H . 11065 1 53 . 1 1 7 7 ALA HA H 1 4.239 0.020 . 1 . . . . 85 ALA HA . 11065 1 54 . 1 1 7 7 ALA HB1 H 1 1.404 0.020 . 1 . . . . 85 ALA HB . 11065 1 55 . 1 1 7 7 ALA HB2 H 1 1.404 0.020 . 1 . . . . 85 ALA HB . 11065 1 56 . 1 1 7 7 ALA HB3 H 1 1.404 0.020 . 1 . . . . 85 ALA HB . 11065 1 57 . 1 1 7 7 ALA C C 13 178.462 0.300 . 1 . . . . 85 ALA C . 11065 1 58 . 1 1 7 7 ALA CA C 13 53.223 0.300 . 1 . . . . 85 ALA CA . 11065 1 59 . 1 1 7 7 ALA CB C 13 18.801 0.300 . 1 . . . . 85 ALA CB . 11065 1 60 . 1 1 7 7 ALA N N 15 121.868 0.300 . 1 . . . . 85 ALA N . 11065 1 61 . 1 1 8 8 GLN H H 1 7.985 0.020 . 1 . . . . 86 GLN H . 11065 1 62 . 1 1 8 8 GLN HA H 1 4.264 0.020 . 1 . . . . 86 GLN HA . 11065 1 63 . 1 1 8 8 GLN HB2 H 1 2.158 0.020 . 2 . . . . 86 GLN HB2 . 11065 1 64 . 1 1 8 8 GLN HB3 H 1 2.048 0.020 . 2 . . . . 86 GLN HB3 . 11065 1 65 . 1 1 8 8 GLN HE21 H 1 6.830 0.020 . 2 . . . . 86 GLN HE21 . 11065 1 66 . 1 1 8 8 GLN HE22 H 1 7.667 0.020 . 2 . . . . 86 GLN HE22 . 11065 1 67 . 1 1 8 8 GLN HG2 H 1 2.365 0.020 . 2 . . . . 86 GLN HG2 . 11065 1 68 . 1 1 8 8 GLN HG3 H 1 2.365 0.020 . 2 . . . . 86 GLN HG3 . 11065 1 69 . 1 1 8 8 GLN C C 13 176.124 0.300 . 1 . . . . 86 GLN C . 11065 1 70 . 1 1 8 8 GLN CA C 13 56.101 0.300 . 1 . . . . 86 GLN CA . 11065 1 71 . 1 1 8 8 GLN CB C 13 29.456 0.300 . 1 . . . . 86 GLN CB . 11065 1 72 . 1 1 8 8 GLN CG C 13 34.066 0.300 . 1 . . . . 86 GLN CG . 11065 1 73 . 1 1 8 8 GLN N N 15 117.727 0.300 . 1 . . . . 86 GLN N . 11065 1 74 . 1 1 8 8 GLN NE2 N 15 112.854 0.300 . 1 . . . . 86 GLN NE2 . 11065 1 75 . 1 1 9 9 LEU H H 1 8.102 0.020 . 1 . . . . 87 LEU H . 11065 1 76 . 1 1 9 9 LEU HA H 1 4.394 0.020 . 1 . . . . 87 LEU HA . 11065 1 77 . 1 1 9 9 LEU HB2 H 1 1.715 0.020 . 2 . . . . 87 LEU HB2 . 11065 1 78 . 1 1 9 9 LEU HB3 H 1 1.618 0.020 . 2 . . . . 87 LEU HB3 . 11065 1 79 . 1 1 9 9 LEU HD11 H 1 0.924 0.020 . 2 . . . . 87 LEU HD1 . 11065 1 80 . 1 1 9 9 LEU HD12 H 1 0.924 0.020 . 2 . . . . 87 LEU HD1 . 11065 1 81 . 1 1 9 9 LEU HD13 H 1 0.924 0.020 . 2 . . . . 87 LEU HD1 . 11065 1 82 . 1 1 9 9 LEU HD21 H 1 0.881 0.020 . 2 . . . . 87 LEU HD2 . 11065 1 83 . 1 1 9 9 LEU HD22 H 1 0.881 0.020 . 2 . . . . 87 LEU HD2 . 11065 1 84 . 1 1 9 9 LEU HD23 H 1 0.881 0.020 . 2 . . . . 87 LEU HD2 . 11065 1 85 . 1 1 9 9 LEU HG H 1 1.675 0.020 . 1 . . . . 87 LEU HG . 11065 1 86 . 1 1 9 9 LEU C C 13 177.923 0.300 . 1 . . . . 87 LEU C . 11065 1 87 . 1 1 9 9 LEU CA C 13 55.454 0.300 . 1 . . . . 87 LEU CA . 11065 1 88 . 1 1 9 9 LEU CB C 13 42.188 0.300 . 1 . . . . 87 LEU CB . 11065 1 89 . 1 1 9 9 LEU CD1 C 13 25.016 0.300 . 1 . . . . 87 LEU CD1 . 11065 1 90 . 1 1 9 9 LEU CD2 C 13 23.444 0.300 . 1 . . . . 87 LEU CD2 . 11065 1 91 . 1 1 9 9 LEU CG C 13 26.874 0.300 . 1 . . . . 87 LEU CG . 11065 1 92 . 1 1 9 9 LEU N N 15 122.045 0.300 . 1 . . . . 87 LEU N . 11065 1 93 . 1 1 10 10 THR H H 1 7.902 0.020 . 1 . . . . 88 THR H . 11065 1 94 . 1 1 10 10 THR HA H 1 4.258 0.020 . 1 . . . . 88 THR HA . 11065 1 95 . 1 1 10 10 THR HB H 1 4.348 0.020 . 1 . . . . 88 THR HB . 11065 1 96 . 1 1 10 10 THR HG21 H 1 1.231 0.020 . 1 . . . . 88 THR HG2 . 11065 1 97 . 1 1 10 10 THR HG22 H 1 1.231 0.020 . 1 . . . . 88 THR HG2 . 11065 1 98 . 1 1 10 10 THR HG23 H 1 1.231 0.020 . 1 . . . . 88 THR HG2 . 11065 1 99 . 1 1 10 10 THR C C 13 175.742 0.300 . 1 . . . . 88 THR C . 11065 1 100 . 1 1 10 10 THR CA C 13 62.974 0.300 . 1 . . . . 88 THR CA . 11065 1 101 . 1 1 10 10 THR CB C 13 69.759 0.300 . 1 . . . . 88 THR CB . 11065 1 102 . 1 1 10 10 THR CG2 C 13 21.778 0.300 . 1 . . . . 88 THR CG2 . 11065 1 103 . 1 1 10 10 THR N N 15 113.859 0.300 . 1 . . . . 88 THR N . 11065 1 104 . 1 1 11 11 GLU H H 1 8.594 0.020 . 1 . . . . 89 GLU H . 11065 1 105 . 1 1 11 11 GLU HA H 1 4.213 0.020 . 1 . . . . 89 GLU HA . 11065 1 106 . 1 1 11 11 GLU HB2 H 1 2.064 0.020 . 2 . . . . 89 GLU HB2 . 11065 1 107 . 1 1 11 11 GLU HB3 H 1 2.064 0.020 . 2 . . . . 89 GLU HB3 . 11065 1 108 . 1 1 11 11 GLU HG2 H 1 2.311 0.020 . 2 . . . . 89 GLU HG2 . 11065 1 109 . 1 1 11 11 GLU HG3 H 1 2.311 0.020 . 2 . . . . 89 GLU HG3 . 11065 1 110 . 1 1 11 11 GLU C C 13 177.577 0.300 . 1 . . . . 89 GLU C . 11065 1 111 . 1 1 11 11 GLU CA C 13 58.496 0.300 . 1 . . . . 89 GLU CA . 11065 1 112 . 1 1 11 11 GLU CB C 13 29.751 0.300 . 1 . . . . 89 GLU CB . 11065 1 113 . 1 1 11 11 GLU CG C 13 36.238 0.300 . 1 . . . . 89 GLU CG . 11065 1 114 . 1 1 11 11 GLU N N 15 122.144 0.300 . 1 . . . . 89 GLU N . 11065 1 115 . 1 1 12 12 ASP H H 1 8.244 0.020 . 1 . . . . 90 ASP H . 11065 1 116 . 1 1 12 12 ASP HA H 1 4.419 0.020 . 1 . . . . 90 ASP HA . 11065 1 117 . 1 1 12 12 ASP HB2 H 1 2.699 0.020 . 2 . . . . 90 ASP HB2 . 11065 1 118 . 1 1 12 12 ASP HB3 H 1 2.699 0.020 . 2 . . . . 90 ASP HB3 . 11065 1 119 . 1 1 12 12 ASP C C 13 178.623 0.300 . 1 . . . . 90 ASP C . 11065 1 120 . 1 1 12 12 ASP CA C 13 56.589 0.300 . 1 . . . . 90 ASP CA . 11065 1 121 . 1 1 12 12 ASP CB C 13 40.332 0.300 . 1 . . . . 90 ASP CB . 11065 1 122 . 1 1 12 12 ASP N N 15 119.922 0.300 . 1 . . . . 90 ASP N . 11065 1 123 . 1 1 13 13 ILE H H 1 8.092 0.020 . 1 . . . . 91 ILE H . 11065 1 124 . 1 1 13 13 ILE HA H 1 3.987 0.020 . 1 . . . . 91 ILE HA . 11065 1 125 . 1 1 13 13 ILE HB H 1 1.960 0.020 . 1 . . . . 91 ILE HB . 11065 1 126 . 1 1 13 13 ILE HD11 H 1 0.838 0.020 . 1 . . . . 91 ILE HD1 . 11065 1 127 . 1 1 13 13 ILE HD12 H 1 0.838 0.020 . 1 . . . . 91 ILE HD1 . 11065 1 128 . 1 1 13 13 ILE HD13 H 1 0.838 0.020 . 1 . . . . 91 ILE HD1 . 11065 1 129 . 1 1 13 13 ILE HG12 H 1 1.216 0.020 . 2 . . . . 91 ILE HG12 . 11065 1 130 . 1 1 13 13 ILE HG13 H 1 1.525 0.020 . 2 . . . . 91 ILE HG13 . 11065 1 131 . 1 1 13 13 ILE HG21 H 1 1.000 0.020 . 1 . . . . 91 ILE HG2 . 11065 1 132 . 1 1 13 13 ILE HG22 H 1 1.000 0.020 . 1 . . . . 91 ILE HG2 . 11065 1 133 . 1 1 13 13 ILE HG23 H 1 1.000 0.020 . 1 . . . . 91 ILE HG2 . 11065 1 134 . 1 1 13 13 ILE C C 13 177.124 0.300 . 1 . . . . 91 ILE C . 11065 1 135 . 1 1 13 13 ILE CA C 13 63.562 0.300 . 1 . . . . 91 ILE CA . 11065 1 136 . 1 1 13 13 ILE CB C 13 37.830 0.300 . 1 . . . . 91 ILE CB . 11065 1 137 . 1 1 13 13 ILE CD1 C 13 12.962 0.300 . 1 . . . . 91 ILE CD1 . 11065 1 138 . 1 1 13 13 ILE CG1 C 13 28.418 0.300 . 1 . . . . 91 ILE CG1 . 11065 1 139 . 1 1 13 13 ILE CG2 C 13 18.035 0.300 . 1 . . . . 91 ILE CG2 . 11065 1 140 . 1 1 13 13 ILE N N 15 122.909 0.300 . 1 . . . . 91 ILE N . 11065 1 141 . 1 1 14 14 THR H H 1 8.045 0.020 . 1 . . . . 92 THR H . 11065 1 142 . 1 1 14 14 THR HA H 1 4.040 0.020 . 1 . . . . 92 THR HA . 11065 1 143 . 1 1 14 14 THR HB H 1 4.293 0.020 . 1 . . . . 92 THR HB . 11065 1 144 . 1 1 14 14 THR HG21 H 1 1.288 0.020 . 1 . . . . 92 THR HG2 . 11065 1 145 . 1 1 14 14 THR HG22 H 1 1.288 0.020 . 1 . . . . 92 THR HG2 . 11065 1 146 . 1 1 14 14 THR HG23 H 1 1.288 0.020 . 1 . . . . 92 THR HG2 . 11065 1 147 . 1 1 14 14 THR C C 13 177.358 0.300 . 1 . . . . 92 THR C . 11065 1 148 . 1 1 14 14 THR CA C 13 66.244 0.300 . 1 . . . . 92 THR CA . 11065 1 149 . 1 1 14 14 THR CB C 13 68.629 0.300 . 1 . . . . 92 THR CB . 11065 1 150 . 1 1 14 14 THR CG2 C 13 21.978 0.300 . 1 . . . . 92 THR CG2 . 11065 1 151 . 1 1 14 14 THR N N 15 116.529 0.300 . 1 . . . . 92 THR N . 11065 1 152 . 1 1 15 15 ARG H H 1 7.984 0.020 . 1 . . . . 93 ARG H . 11065 1 153 . 1 1 15 15 ARG HA H 1 3.974 0.020 . 1 . . . . 93 ARG HA . 11065 1 154 . 1 1 15 15 ARG HB2 H 1 2.022 0.020 . 2 . . . . 93 ARG HB2 . 11065 1 155 . 1 1 15 15 ARG HB3 H 1 1.771 0.020 . 2 . . . . 93 ARG HB3 . 11065 1 156 . 1 1 15 15 ARG HD2 H 1 3.237 0.020 . 2 . . . . 93 ARG HD2 . 11065 1 157 . 1 1 15 15 ARG HD3 H 1 3.092 0.020 . 2 . . . . 93 ARG HD3 . 11065 1 158 . 1 1 15 15 ARG HE H 1 6.703 0.020 . 1 . . . . 93 ARG HE . 11065 1 159 . 1 1 15 15 ARG HG2 H 1 1.488 0.020 . 2 . . . . 93 ARG HG2 . 11065 1 160 . 1 1 15 15 ARG HG3 H 1 1.488 0.020 . 2 . . . . 93 ARG HG3 . 11065 1 161 . 1 1 15 15 ARG C C 13 177.719 0.300 . 1 . . . . 93 ARG C . 11065 1 162 . 1 1 15 15 ARG CA C 13 60.312 0.300 . 1 . . . . 93 ARG CA . 11065 1 163 . 1 1 15 15 ARG CB C 13 30.591 0.300 . 1 . . . . 93 ARG CB . 11065 1 164 . 1 1 15 15 ARG CD C 13 43.942 0.300 . 1 . . . . 93 ARG CD . 11065 1 165 . 1 1 15 15 ARG CG C 13 29.183 0.300 . 1 . . . . 93 ARG CG . 11065 1 166 . 1 1 15 15 ARG N N 15 121.521 0.300 . 1 . . . . 93 ARG N . 11065 1 167 . 1 1 16 16 TYR H H 1 7.948 0.020 . 1 . . . . 94 TYR H . 11065 1 168 . 1 1 16 16 TYR HA H 1 4.045 0.020 . 1 . . . . 94 TYR HA . 11065 1 169 . 1 1 16 16 TYR HB2 H 1 3.139 0.020 . 2 . . . . 94 TYR HB2 . 11065 1 170 . 1 1 16 16 TYR HB3 H 1 3.026 0.020 . 2 . . . . 94 TYR HB3 . 11065 1 171 . 1 1 16 16 TYR HD1 H 1 6.724 0.020 . 1 . . . . 94 TYR HD1 . 11065 1 172 . 1 1 16 16 TYR HD2 H 1 6.724 0.020 . 1 . . . . 94 TYR HD2 . 11065 1 173 . 1 1 16 16 TYR HE1 H 1 6.578 0.020 . 1 . . . . 94 TYR HE1 . 11065 1 174 . 1 1 16 16 TYR HE2 H 1 6.578 0.020 . 1 . . . . 94 TYR HE2 . 11065 1 175 . 1 1 16 16 TYR C C 13 177.690 0.300 . 1 . . . . 94 TYR C . 11065 1 176 . 1 1 16 16 TYR CA C 13 61.568 0.300 . 1 . . . . 94 TYR CA . 11065 1 177 . 1 1 16 16 TYR CB C 13 37.543 0.300 . 1 . . . . 94 TYR CB . 11065 1 178 . 1 1 16 16 TYR CD1 C 13 133.076 0.300 . 1 . . . . 94 TYR CD1 . 11065 1 179 . 1 1 16 16 TYR CD2 C 13 133.076 0.300 . 1 . . . . 94 TYR CD2 . 11065 1 180 . 1 1 16 16 TYR CE1 C 13 117.927 0.300 . 1 . . . . 94 TYR CE1 . 11065 1 181 . 1 1 16 16 TYR CE2 C 13 117.927 0.300 . 1 . . . . 94 TYR CE2 . 11065 1 182 . 1 1 16 16 TYR N N 15 120.911 0.300 . 1 . . . . 94 TYR N . 11065 1 183 . 1 1 17 17 TYR H H 1 8.143 0.020 . 1 . . . . 95 TYR H . 11065 1 184 . 1 1 17 17 TYR HA H 1 4.049 0.020 . 1 . . . . 95 TYR HA . 11065 1 185 . 1 1 17 17 TYR HB2 H 1 3.134 0.020 . 2 . . . . 95 TYR HB2 . 11065 1 186 . 1 1 17 17 TYR HB3 H 1 3.026 0.020 . 2 . . . . 95 TYR HB3 . 11065 1 187 . 1 1 17 17 TYR HD1 H 1 7.249 0.020 . 1 . . . . 95 TYR HD1 . 11065 1 188 . 1 1 17 17 TYR HD2 H 1 7.249 0.020 . 1 . . . . 95 TYR HD2 . 11065 1 189 . 1 1 17 17 TYR HE1 H 1 6.878 0.020 . 1 . . . . 95 TYR HE1 . 11065 1 190 . 1 1 17 17 TYR HE2 H 1 6.878 0.020 . 1 . . . . 95 TYR HE2 . 11065 1 191 . 1 1 17 17 TYR C C 13 179.000 0.300 . 1 . . . . 95 TYR C . 11065 1 192 . 1 1 17 17 TYR CA C 13 61.454 0.300 . 1 . . . . 95 TYR CA . 11065 1 193 . 1 1 17 17 TYR CB C 13 37.483 0.300 . 1 . . . . 95 TYR CB . 11065 1 194 . 1 1 17 17 TYR CD1 C 13 132.321 0.300 . 1 . . . . 95 TYR CD1 . 11065 1 195 . 1 1 17 17 TYR CD2 C 13 132.321 0.300 . 1 . . . . 95 TYR CD2 . 11065 1 196 . 1 1 17 17 TYR CE1 C 13 118.124 0.300 . 1 . . . . 95 TYR CE1 . 11065 1 197 . 1 1 17 17 TYR CE2 C 13 118.124 0.300 . 1 . . . . 95 TYR CE2 . 11065 1 198 . 1 1 17 17 TYR N N 15 117.066 0.300 . 1 . . . . 95 TYR N . 11065 1 199 . 1 1 18 18 LEU H H 1 7.976 0.020 . 1 . . . . 96 LEU H . 11065 1 200 . 1 1 18 18 LEU HA H 1 4.203 0.020 . 1 . . . . 96 LEU HA . 11065 1 201 . 1 1 18 18 LEU HB2 H 1 1.701 0.020 . 2 . . . . 96 LEU HB2 . 11065 1 202 . 1 1 18 18 LEU HB3 H 1 1.739 0.020 . 2 . . . . 96 LEU HB3 . 11065 1 203 . 1 1 18 18 LEU HD11 H 1 0.774 0.020 . 2 . . . . 96 LEU HD1 . 11065 1 204 . 1 1 18 18 LEU HD12 H 1 0.774 0.020 . 2 . . . . 96 LEU HD1 . 11065 1 205 . 1 1 18 18 LEU HD13 H 1 0.774 0.020 . 2 . . . . 96 LEU HD1 . 11065 1 206 . 1 1 18 18 LEU HD21 H 1 0.629 0.020 . 2 . . . . 96 LEU HD2 . 11065 1 207 . 1 1 18 18 LEU HD22 H 1 0.629 0.020 . 2 . . . . 96 LEU HD2 . 11065 1 208 . 1 1 18 18 LEU HD23 H 1 0.629 0.020 . 2 . . . . 96 LEU HD2 . 11065 1 209 . 1 1 18 18 LEU HG H 1 1.458 0.020 . 1 . . . . 96 LEU HG . 11065 1 210 . 1 1 18 18 LEU C C 13 178.998 0.300 . 1 . . . . 96 LEU C . 11065 1 211 . 1 1 18 18 LEU CA C 13 58.097 0.300 . 1 . . . . 96 LEU CA . 11065 1 212 . 1 1 18 18 LEU CB C 13 41.814 0.300 . 1 . . . . 96 LEU CB . 11065 1 213 . 1 1 18 18 LEU CD1 C 13 23.302 0.300 . 1 . . . . 96 LEU CD1 . 11065 1 214 . 1 1 18 18 LEU CD2 C 13 24.875 0.300 . 1 . . . . 96 LEU CD2 . 11065 1 215 . 1 1 18 18 LEU CG C 13 26.762 0.300 . 1 . . . . 96 LEU CG . 11065 1 216 . 1 1 18 18 LEU N N 15 123.012 0.300 . 1 . . . . 96 LEU N . 11065 1 217 . 1 1 19 19 CYS H H 1 8.163 0.020 . 1 . . . . 97 CYS H . 11065 1 218 . 1 1 19 19 CYS HA H 1 3.783 0.020 . 1 . . . . 97 CYS HA . 11065 1 219 . 1 1 19 19 CYS HB2 H 1 2.970 0.020 . 2 . . . . 97 CYS HB2 . 11065 1 220 . 1 1 19 19 CYS HB3 H 1 2.055 0.020 . 2 . . . . 97 CYS HB3 . 11065 1 221 . 1 1 19 19 CYS C C 13 176.663 0.300 . 1 . . . . 97 CYS C . 11065 1 222 . 1 1 19 19 CYS CA C 13 64.973 0.300 . 1 . . . . 97 CYS CA . 11065 1 223 . 1 1 19 19 CYS CB C 13 25.966 0.300 . 1 . . . . 97 CYS CB . 11065 1 224 . 1 1 19 19 CYS N N 15 117.202 0.300 . 1 . . . . 97 CYS N . 11065 1 225 . 1 1 20 20 LEU H H 1 7.863 0.020 . 1 . . . . 98 LEU H . 11065 1 226 . 1 1 20 20 LEU HA H 1 3.681 0.020 . 1 . . . . 98 LEU HA . 11065 1 227 . 1 1 20 20 LEU HB2 H 1 1.422 0.020 . 2 . . . . 98 LEU HB2 . 11065 1 228 . 1 1 20 20 LEU HB3 H 1 1.422 0.020 . 2 . . . . 98 LEU HB3 . 11065 1 229 . 1 1 20 20 LEU HD11 H 1 0.637 0.020 . 2 . . . . 98 LEU HD1 . 11065 1 230 . 1 1 20 20 LEU HD12 H 1 0.637 0.020 . 2 . . . . 98 LEU HD1 . 11065 1 231 . 1 1 20 20 LEU HD13 H 1 0.637 0.020 . 2 . . . . 98 LEU HD1 . 11065 1 232 . 1 1 20 20 LEU HD21 H 1 0.693 0.020 . 2 . . . . 98 LEU HD2 . 11065 1 233 . 1 1 20 20 LEU HD22 H 1 0.693 0.020 . 2 . . . . 98 LEU HD2 . 11065 1 234 . 1 1 20 20 LEU HD23 H 1 0.693 0.020 . 2 . . . . 98 LEU HD2 . 11065 1 235 . 1 1 20 20 LEU HG H 1 1.257 0.020 . 1 . . . . 98 LEU HG . 11065 1 236 . 1 1 20 20 LEU C C 13 179.392 0.300 . 1 . . . . 98 LEU C . 11065 1 237 . 1 1 20 20 LEU CA C 13 58.319 0.300 . 1 . . . . 98 LEU CA . 11065 1 238 . 1 1 20 20 LEU CB C 13 41.944 0.300 . 1 . . . . 98 LEU CB . 11065 1 239 . 1 1 20 20 LEU CD1 C 13 24.424 0.300 . 1 . . . . 98 LEU CD1 . 11065 1 240 . 1 1 20 20 LEU CD2 C 13 23.821 0.300 . 1 . . . . 98 LEU CD2 . 11065 1 241 . 1 1 20 20 LEU CG C 13 26.274 0.300 . 1 . . . . 98 LEU CG . 11065 1 242 . 1 1 20 20 LEU N N 15 118.833 0.300 . 1 . . . . 98 LEU N . 11065 1 243 . 1 1 21 21 GLN H H 1 7.658 0.020 . 1 . . . . 99 GLN H . 11065 1 244 . 1 1 21 21 GLN HA H 1 3.909 0.020 . 1 . . . . 99 GLN HA . 11065 1 245 . 1 1 21 21 GLN HB2 H 1 2.206 0.020 . 2 . . . . 99 GLN HB2 . 11065 1 246 . 1 1 21 21 GLN HB3 H 1 2.138 0.020 . 2 . . . . 99 GLN HB3 . 11065 1 247 . 1 1 21 21 GLN HE21 H 1 6.714 0.020 . 2 . . . . 99 GLN HE21 . 11065 1 248 . 1 1 21 21 GLN HE22 H 1 7.656 0.020 . 2 . . . . 99 GLN HE22 . 11065 1 249 . 1 1 21 21 GLN HG2 H 1 2.312 0.020 . 2 . . . . 99 GLN HG2 . 11065 1 250 . 1 1 21 21 GLN HG3 H 1 2.371 0.020 . 2 . . . . 99 GLN HG3 . 11065 1 251 . 1 1 21 21 GLN C C 13 178.326 0.300 . 1 . . . . 99 GLN C . 11065 1 252 . 1 1 21 21 GLN CA C 13 58.704 0.300 . 1 . . . . 99 GLN CA . 11065 1 253 . 1 1 21 21 GLN CB C 13 28.630 0.300 . 1 . . . . 99 GLN CB . 11065 1 254 . 1 1 21 21 GLN CG C 13 33.316 0.300 . 1 . . . . 99 GLN CG . 11065 1 255 . 1 1 21 21 GLN N N 15 118.958 0.300 . 1 . . . . 99 GLN N . 11065 1 256 . 1 1 21 21 GLN NE2 N 15 113.615 0.300 . 1 . . . . 99 GLN NE2 . 11065 1 257 . 1 1 22 22 LEU H H 1 8.214 0.020 . 1 . . . . 100 LEU H . 11065 1 258 . 1 1 22 22 LEU HA H 1 4.150 0.020 . 1 . . . . 100 LEU HA . 11065 1 259 . 1 1 22 22 LEU HB2 H 1 2.137 0.020 . 2 . . . . 100 LEU HB2 . 11065 1 260 . 1 1 22 22 LEU HB3 H 1 1.365 0.020 . 2 . . . . 100 LEU HB3 . 11065 1 261 . 1 1 22 22 LEU HD11 H 1 0.717 0.020 . 2 . . . . 100 LEU HD1 . 11065 1 262 . 1 1 22 22 LEU HD12 H 1 0.717 0.020 . 2 . . . . 100 LEU HD1 . 11065 1 263 . 1 1 22 22 LEU HD13 H 1 0.717 0.020 . 2 . . . . 100 LEU HD1 . 11065 1 264 . 1 1 22 22 LEU HD21 H 1 0.858 0.020 . 2 . . . . 100 LEU HD2 . 11065 1 265 . 1 1 22 22 LEU HD22 H 1 0.858 0.020 . 2 . . . . 100 LEU HD2 . 11065 1 266 . 1 1 22 22 LEU HD23 H 1 0.858 0.020 . 2 . . . . 100 LEU HD2 . 11065 1 267 . 1 1 22 22 LEU HG H 1 1.805 0.020 . 1 . . . . 100 LEU HG . 11065 1 268 . 1 1 22 22 LEU C C 13 179.438 0.300 . 1 . . . . 100 LEU C . 11065 1 269 . 1 1 22 22 LEU CA C 13 58.320 0.300 . 1 . . . . 100 LEU CA . 11065 1 270 . 1 1 22 22 LEU CB C 13 42.816 0.300 . 1 . . . . 100 LEU CB . 11065 1 271 . 1 1 22 22 LEU CD1 C 13 26.903 0.300 . 1 . . . . 100 LEU CD1 . 11065 1 272 . 1 1 22 22 LEU CD2 C 13 23.655 0.300 . 1 . . . . 100 LEU CD2 . 11065 1 273 . 1 1 22 22 LEU CG C 13 27.388 0.300 . 1 . . . . 100 LEU CG . 11065 1 274 . 1 1 22 22 LEU N N 15 119.829 0.300 . 1 . . . . 100 LEU N . 11065 1 275 . 1 1 23 23 ARG H H 1 8.722 0.020 . 1 . . . . 101 ARG H . 11065 1 276 . 1 1 23 23 ARG HA H 1 3.946 0.020 . 1 . . . . 101 ARG HA . 11065 1 277 . 1 1 23 23 ARG HB2 H 1 2.009 0.020 . 2 . . . . 101 ARG HB2 . 11065 1 278 . 1 1 23 23 ARG HB3 H 1 1.800 0.020 . 2 . . . . 101 ARG HB3 . 11065 1 279 . 1 1 23 23 ARG HD2 H 1 3.096 0.020 . 2 . . . . 101 ARG HD2 . 11065 1 280 . 1 1 23 23 ARG HD3 H 1 3.231 0.020 . 2 . . . . 101 ARG HD3 . 11065 1 281 . 1 1 23 23 ARG HE H 1 7.881 0.020 . 1 . . . . 101 ARG HE . 11065 1 282 . 1 1 23 23 ARG HG2 H 1 1.485 0.020 . 2 . . . . 101 ARG HG2 . 11065 1 283 . 1 1 23 23 ARG HG3 H 1 1.619 0.020 . 2 . . . . 101 ARG HG3 . 11065 1 284 . 1 1 23 23 ARG C C 13 179.448 0.300 . 1 . . . . 101 ARG C . 11065 1 285 . 1 1 23 23 ARG CA C 13 60.910 0.300 . 1 . . . . 101 ARG CA . 11065 1 286 . 1 1 23 23 ARG CB C 13 29.853 0.300 . 1 . . . . 101 ARG CB . 11065 1 287 . 1 1 23 23 ARG CD C 13 43.587 0.300 . 1 . . . . 101 ARG CD . 11065 1 288 . 1 1 23 23 ARG N N 15 117.690 0.300 . 1 . . . . 101 ARG N . 11065 1 289 . 1 1 24 24 GLN H H 1 7.804 0.020 . 1 . . . . 102 GLN H . 11065 1 290 . 1 1 24 24 GLN HA H 1 4.015 0.020 . 1 . . . . 102 GLN HA . 11065 1 291 . 1 1 24 24 GLN HB2 H 1 2.272 0.020 . 2 . . . . 102 GLN HB2 . 11065 1 292 . 1 1 24 24 GLN HB3 H 1 2.063 0.020 . 2 . . . . 102 GLN HB3 . 11065 1 293 . 1 1 24 24 GLN HE21 H 1 6.838 0.020 . 2 . . . . 102 GLN HE21 . 11065 1 294 . 1 1 24 24 GLN HE22 H 1 7.359 0.020 . 2 . . . . 102 GLN HE22 . 11065 1 295 . 1 1 24 24 GLN HG2 H 1 2.383 0.020 . 2 . . . . 102 GLN HG2 . 11065 1 296 . 1 1 24 24 GLN HG3 H 1 2.561 0.020 . 2 . . . . 102 GLN HG3 . 11065 1 297 . 1 1 24 24 GLN C C 13 178.951 0.300 . 1 . . . . 102 GLN C . 11065 1 298 . 1 1 24 24 GLN CA C 13 58.785 0.300 . 1 . . . . 102 GLN CA . 11065 1 299 . 1 1 24 24 GLN CB C 13 28.263 0.300 . 1 . . . . 102 GLN CB . 11065 1 300 . 1 1 24 24 GLN CG C 13 34.140 0.300 . 1 . . . . 102 GLN CG . 11065 1 301 . 1 1 24 24 GLN N N 15 117.686 0.300 . 1 . . . . 102 GLN N . 11065 1 302 . 1 1 24 24 GLN NE2 N 15 111.270 0.300 . 1 . . . . 102 GLN NE2 . 11065 1 303 . 1 1 25 25 ASP H H 1 8.393 0.020 . 1 . . . . 103 ASP H . 11065 1 304 . 1 1 25 25 ASP HA H 1 4.414 0.020 . 1 . . . . 103 ASP HA . 11065 1 305 . 1 1 25 25 ASP HB2 H 1 3.075 0.020 . 2 . . . . 103 ASP HB2 . 11065 1 306 . 1 1 25 25 ASP HB3 H 1 2.467 0.020 . 2 . . . . 103 ASP HB3 . 11065 1 307 . 1 1 25 25 ASP C C 13 179.476 0.300 . 1 . . . . 103 ASP C . 11065 1 308 . 1 1 25 25 ASP CA C 13 57.753 0.300 . 1 . . . . 103 ASP CA . 11065 1 309 . 1 1 25 25 ASP CB C 13 40.432 0.300 . 1 . . . . 103 ASP CB . 11065 1 310 . 1 1 25 25 ASP N N 15 122.118 0.300 . 1 . . . . 103 ASP N . 11065 1 311 . 1 1 26 26 ILE H H 1 8.737 0.020 . 1 . . . . 104 ILE H . 11065 1 312 . 1 1 26 26 ILE HA H 1 3.761 0.020 . 1 . . . . 104 ILE HA . 11065 1 313 . 1 1 26 26 ILE HB H 1 2.008 0.020 . 1 . . . . 104 ILE HB . 11065 1 314 . 1 1 26 26 ILE HD11 H 1 0.908 0.020 . 1 . . . . 104 ILE HD1 . 11065 1 315 . 1 1 26 26 ILE HD12 H 1 0.908 0.020 . 1 . . . . 104 ILE HD1 . 11065 1 316 . 1 1 26 26 ILE HD13 H 1 0.908 0.020 . 1 . . . . 104 ILE HD1 . 11065 1 317 . 1 1 26 26 ILE HG21 H 1 0.955 0.020 . 1 . . . . 104 ILE HG2 . 11065 1 318 . 1 1 26 26 ILE HG22 H 1 0.955 0.020 . 1 . . . . 104 ILE HG2 . 11065 1 319 . 1 1 26 26 ILE HG23 H 1 0.955 0.020 . 1 . . . . 104 ILE HG2 . 11065 1 320 . 1 1 26 26 ILE C C 13 180.320 0.300 . 1 . . . . 104 ILE C . 11065 1 321 . 1 1 26 26 ILE CA C 13 65.902 0.300 . 1 . . . . 104 ILE CA . 11065 1 322 . 1 1 26 26 ILE CB C 13 38.826 0.300 . 1 . . . . 104 ILE CB . 11065 1 323 . 1 1 26 26 ILE CD1 C 13 14.855 0.300 . 1 . . . . 104 ILE CD1 . 11065 1 324 . 1 1 26 26 ILE CG2 C 13 17.655 0.300 . 1 . . . . 104 ILE CG2 . 11065 1 325 . 1 1 26 26 ILE N N 15 122.668 0.300 . 1 . . . . 104 ILE N . 11065 1 326 . 1 1 27 27 VAL H H 1 7.923 0.020 . 1 . . . . 105 VAL H . 11065 1 327 . 1 1 27 27 VAL HA H 1 3.077 0.020 . 1 . . . . 105 VAL HA . 11065 1 328 . 1 1 27 27 VAL HB H 1 1.985 0.020 . 1 . . . . 105 VAL HB . 11065 1 329 . 1 1 27 27 VAL HG11 H 1 0.851 0.020 . 2 . . . . 105 VAL HG1 . 11065 1 330 . 1 1 27 27 VAL HG12 H 1 0.851 0.020 . 2 . . . . 105 VAL HG1 . 11065 1 331 . 1 1 27 27 VAL HG13 H 1 0.851 0.020 . 2 . . . . 105 VAL HG1 . 11065 1 332 . 1 1 27 27 VAL HG21 H 1 0.859 0.020 . 2 . . . . 105 VAL HG2 . 11065 1 333 . 1 1 27 27 VAL HG22 H 1 0.859 0.020 . 2 . . . . 105 VAL HG2 . 11065 1 334 . 1 1 27 27 VAL HG23 H 1 0.859 0.020 . 2 . . . . 105 VAL HG2 . 11065 1 335 . 1 1 27 27 VAL C C 13 176.073 0.300 . 1 . . . . 105 VAL C . 11065 1 336 . 1 1 27 27 VAL CA C 13 67.080 0.300 . 1 . . . . 105 VAL CA . 11065 1 337 . 1 1 27 27 VAL CB C 13 31.450 0.300 . 1 . . . . 105 VAL CB . 11065 1 338 . 1 1 27 27 VAL CG1 C 13 21.477 0.300 . 1 . . . . 105 VAL CG1 . 11065 1 339 . 1 1 27 27 VAL CG2 C 13 23.748 0.300 . 1 . . . . 105 VAL CG2 . 11065 1 340 . 1 1 27 27 VAL N N 15 121.194 0.300 . 1 . . . . 105 VAL N . 11065 1 341 . 1 1 28 28 ALA H H 1 7.892 0.020 . 1 . . . . 106 ALA H . 11065 1 342 . 1 1 28 28 ALA HA H 1 4.286 0.020 . 1 . . . . 106 ALA HA . 11065 1 343 . 1 1 28 28 ALA HB1 H 1 1.516 0.020 . 1 . . . . 106 ALA HB . 11065 1 344 . 1 1 28 28 ALA HB2 H 1 1.516 0.020 . 1 . . . . 106 ALA HB . 11065 1 345 . 1 1 28 28 ALA HB3 H 1 1.516 0.020 . 1 . . . . 106 ALA HB . 11065 1 346 . 1 1 28 28 ALA C C 13 178.366 0.300 . 1 . . . . 106 ALA C . 11065 1 347 . 1 1 28 28 ALA CA C 13 52.572 0.300 . 1 . . . . 106 ALA CA . 11065 1 348 . 1 1 28 28 ALA CB C 13 19.616 0.300 . 1 . . . . 106 ALA CB . 11065 1 349 . 1 1 28 28 ALA N N 15 117.103 0.300 . 1 . . . . 106 ALA N . 11065 1 350 . 1 1 29 29 GLY H H 1 7.670 0.020 . 1 . . . . 107 GLY H . 11065 1 351 . 1 1 29 29 GLY HA2 H 1 4.181 0.020 . 2 . . . . 107 GLY HA2 . 11065 1 352 . 1 1 29 29 GLY HA3 H 1 3.924 0.020 . 2 . . . . 107 GLY HA3 . 11065 1 353 . 1 1 29 29 GLY C C 13 174.596 0.300 . 1 . . . . 107 GLY C . 11065 1 354 . 1 1 29 29 GLY CA C 13 45.157 0.300 . 1 . . . . 107 GLY CA . 11065 1 355 . 1 1 29 29 GLY N N 15 105.038 0.300 . 1 . . . . 107 GLY N . 11065 1 356 . 1 1 30 30 ARG H H 1 7.972 0.020 . 1 . . . . 108 ARG H . 11065 1 357 . 1 1 30 30 ARG HA H 1 4.185 0.020 . 1 . . . . 108 ARG HA . 11065 1 358 . 1 1 30 30 ARG HB2 H 1 1.911 0.020 . 2 . . . . 108 ARG HB2 . 11065 1 359 . 1 1 30 30 ARG HB3 H 1 1.702 0.020 . 2 . . . . 108 ARG HB3 . 11065 1 360 . 1 1 30 30 ARG HD2 H 1 3.307 0.020 . 2 . . . . 108 ARG HD2 . 11065 1 361 . 1 1 30 30 ARG HD3 H 1 3.165 0.020 . 2 . . . . 108 ARG HD3 . 11065 1 362 . 1 1 30 30 ARG HE H 1 7.395 0.020 . 1 . . . . 108 ARG HE . 11065 1 363 . 1 1 30 30 ARG HG2 H 1 1.543 0.020 . 2 . . . . 108 ARG HG2 . 11065 1 364 . 1 1 30 30 ARG HG3 H 1 1.625 0.020 . 2 . . . . 108 ARG HG3 . 11065 1 365 . 1 1 30 30 ARG C C 13 175.874 0.300 . 1 . . . . 108 ARG C . 11065 1 366 . 1 1 30 30 ARG CA C 13 57.987 0.300 . 1 . . . . 108 ARG CA . 11065 1 367 . 1 1 30 30 ARG CB C 13 31.218 0.300 . 1 . . . . 108 ARG CB . 11065 1 368 . 1 1 30 30 ARG CD C 13 43.146 0.300 . 1 . . . . 108 ARG CD . 11065 1 369 . 1 1 30 30 ARG CG C 13 29.307 0.300 . 1 . . . . 108 ARG CG . 11065 1 370 . 1 1 30 30 ARG N N 15 118.333 0.300 . 1 . . . . 108 ARG N . 11065 1 371 . 1 1 31 31 LEU H H 1 6.696 0.020 . 1 . . . . 109 LEU H . 11065 1 372 . 1 1 31 31 LEU HA H 1 4.939 0.020 . 1 . . . . 109 LEU HA . 11065 1 373 . 1 1 31 31 LEU HB2 H 1 1.436 0.020 . 2 . . . . 109 LEU HB2 . 11065 1 374 . 1 1 31 31 LEU HB3 H 1 1.368 0.020 . 2 . . . . 109 LEU HB3 . 11065 1 375 . 1 1 31 31 LEU HD11 H 1 1.026 0.020 . 2 . . . . 109 LEU HD1 . 11065 1 376 . 1 1 31 31 LEU HD12 H 1 1.026 0.020 . 2 . . . . 109 LEU HD1 . 11065 1 377 . 1 1 31 31 LEU HD13 H 1 1.026 0.020 . 2 . . . . 109 LEU HD1 . 11065 1 378 . 1 1 31 31 LEU HD21 H 1 0.966 0.020 . 2 . . . . 109 LEU HD2 . 11065 1 379 . 1 1 31 31 LEU HD22 H 1 0.966 0.020 . 2 . . . . 109 LEU HD2 . 11065 1 380 . 1 1 31 31 LEU HD23 H 1 0.966 0.020 . 2 . . . . 109 LEU HD2 . 11065 1 381 . 1 1 31 31 LEU HG H 1 1.444 0.020 . 1 . . . . 109 LEU HG . 11065 1 382 . 1 1 31 31 LEU C C 13 173.324 0.300 . 1 . . . . 109 LEU C . 11065 1 383 . 1 1 31 31 LEU CA C 13 50.930 0.300 . 1 . . . . 109 LEU CA . 11065 1 384 . 1 1 31 31 LEU CB C 13 43.480 0.300 . 1 . . . . 109 LEU CB . 11065 1 385 . 1 1 31 31 LEU CD1 C 13 26.051 0.300 . 1 . . . . 109 LEU CD1 . 11065 1 386 . 1 1 31 31 LEU CD2 C 13 24.253 0.300 . 1 . . . . 109 LEU CD2 . 11065 1 387 . 1 1 31 31 LEU CG C 13 26.976 0.300 . 1 . . . . 109 LEU CG . 11065 1 388 . 1 1 31 31 LEU N N 15 118.681 0.300 . 1 . . . . 109 LEU N . 11065 1 389 . 1 1 32 32 PRO HA H 1 4.411 0.020 . 1 . . . . 110 PRO HA . 11065 1 390 . 1 1 32 32 PRO HB2 H 1 1.967 0.020 . 2 . . . . 110 PRO HB2 . 11065 1 391 . 1 1 32 32 PRO HB3 H 1 2.266 0.020 . 2 . . . . 110 PRO HB3 . 11065 1 392 . 1 1 32 32 PRO HD2 H 1 3.749 0.020 . 2 . . . . 110 PRO HD2 . 11065 1 393 . 1 1 32 32 PRO HD3 H 1 3.749 0.020 . 2 . . . . 110 PRO HD3 . 11065 1 394 . 1 1 32 32 PRO HG2 H 1 2.127 0.020 . 2 . . . . 110 PRO HG2 . 11065 1 395 . 1 1 32 32 PRO HG3 H 1 1.949 0.020 . 2 . . . . 110 PRO HG3 . 11065 1 396 . 1 1 32 32 PRO C C 13 176.694 0.300 . 1 . . . . 110 PRO C . 11065 1 397 . 1 1 32 32 PRO CA C 13 63.123 0.300 . 1 . . . . 110 PRO CA . 11065 1 398 . 1 1 32 32 PRO CB C 13 32.022 0.300 . 1 . . . . 110 PRO CB . 11065 1 399 . 1 1 32 32 PRO CD C 13 51.130 0.300 . 1 . . . . 110 PRO CD . 11065 1 400 . 1 1 32 32 PRO CG C 13 27.345 0.300 . 1 . . . . 110 PRO CG . 11065 1 401 . 1 1 33 33 CYS H H 1 8.273 0.020 . 1 . . . . 111 CYS H . 11065 1 402 . 1 1 33 33 CYS HA H 1 4.834 0.020 . 1 . . . . 111 CYS HA . 11065 1 403 . 1 1 33 33 CYS HB2 H 1 2.806 0.020 . 2 . . . . 111 CYS HB2 . 11065 1 404 . 1 1 33 33 CYS HB3 H 1 2.776 0.020 . 2 . . . . 111 CYS HB3 . 11065 1 405 . 1 1 33 33 CYS C C 13 173.523 0.300 . 1 . . . . 111 CYS C . 11065 1 406 . 1 1 33 33 CYS CA C 13 57.890 0.300 . 1 . . . . 111 CYS CA . 11065 1 407 . 1 1 33 33 CYS CB C 13 32.282 0.300 . 1 . . . . 111 CYS CB . 11065 1 408 . 1 1 33 33 CYS N N 15 119.113 0.300 . 1 . . . . 111 CYS N . 11065 1 409 . 1 1 34 34 SER H H 1 8.738 0.020 . 1 . . . . 112 SER H . 11065 1 410 . 1 1 34 34 SER HA H 1 4.527 0.020 . 1 . . . . 112 SER HA . 11065 1 411 . 1 1 34 34 SER HB2 H 1 4.410 0.020 . 2 . . . . 112 SER HB2 . 11065 1 412 . 1 1 34 34 SER HB3 H 1 4.101 0.020 . 2 . . . . 112 SER HB3 . 11065 1 413 . 1 1 34 34 SER C C 13 173.709 0.300 . 1 . . . . 112 SER C . 11065 1 414 . 1 1 34 34 SER CA C 13 57.256 0.300 . 1 . . . . 112 SER CA . 11065 1 415 . 1 1 34 34 SER CB C 13 65.433 0.300 . 1 . . . . 112 SER CB . 11065 1 416 . 1 1 34 34 SER N N 15 118.212 0.300 . 1 . . . . 112 SER N . 11065 1 417 . 1 1 35 35 PHE H H 1 9.027 0.020 . 1 . . . . 113 PHE H . 11065 1 418 . 1 1 35 35 PHE HA H 1 4.047 0.020 . 1 . . . . 113 PHE HA . 11065 1 419 . 1 1 35 35 PHE HB2 H 1 3.322 0.020 . 2 . . . . 113 PHE HB2 . 11065 1 420 . 1 1 35 35 PHE HB3 H 1 3.087 0.020 . 2 . . . . 113 PHE HB3 . 11065 1 421 . 1 1 35 35 PHE HD1 H 1 7.246 0.020 . 1 . . . . 113 PHE HD1 . 11065 1 422 . 1 1 35 35 PHE HD2 H 1 7.246 0.020 . 1 . . . . 113 PHE HD2 . 11065 1 423 . 1 1 35 35 PHE HE1 H 1 6.977 0.020 . 1 . . . . 113 PHE HE1 . 11065 1 424 . 1 1 35 35 PHE HE2 H 1 6.977 0.020 . 1 . . . . 113 PHE HE2 . 11065 1 425 . 1 1 35 35 PHE HZ H 1 7.130 0.020 . 1 . . . . 113 PHE HZ . 11065 1 426 . 1 1 35 35 PHE C C 13 176.433 0.300 . 1 . . . . 113 PHE C . 11065 1 427 . 1 1 35 35 PHE CA C 13 62.623 0.300 . 1 . . . . 113 PHE CA . 11065 1 428 . 1 1 35 35 PHE CB C 13 39.128 0.300 . 1 . . . . 113 PHE CB . 11065 1 429 . 1 1 35 35 PHE CD1 C 13 132.321 0.300 . 1 . . . . 113 PHE CD1 . 11065 1 430 . 1 1 35 35 PHE CD2 C 13 132.321 0.300 . 1 . . . . 113 PHE CD2 . 11065 1 431 . 1 1 35 35 PHE CE1 C 13 128.892 0.300 . 1 . . . . 113 PHE CE1 . 11065 1 432 . 1 1 35 35 PHE CE2 C 13 128.892 0.300 . 1 . . . . 113 PHE CE2 . 11065 1 433 . 1 1 35 35 PHE CZ C 13 130.729 0.300 . 1 . . . . 113 PHE CZ . 11065 1 434 . 1 1 35 35 PHE N N 15 122.209 0.300 . 1 . . . . 113 PHE N . 11065 1 435 . 1 1 36 36 ALA H H 1 8.631 0.020 . 1 . . . . 114 ALA H . 11065 1 436 . 1 1 36 36 ALA HA H 1 3.926 0.020 . 1 . . . . 114 ALA HA . 11065 1 437 . 1 1 36 36 ALA HB1 H 1 1.500 0.020 . 1 . . . . 114 ALA HB . 11065 1 438 . 1 1 36 36 ALA HB2 H 1 1.500 0.020 . 1 . . . . 114 ALA HB . 11065 1 439 . 1 1 36 36 ALA HB3 H 1 1.500 0.020 . 1 . . . . 114 ALA HB . 11065 1 440 . 1 1 36 36 ALA C C 13 181.064 0.300 . 1 . . . . 114 ALA C . 11065 1 441 . 1 1 36 36 ALA CA C 13 55.300 0.300 . 1 . . . . 114 ALA CA . 11065 1 442 . 1 1 36 36 ALA CB C 13 18.423 0.300 . 1 . . . . 114 ALA CB . 11065 1 443 . 1 1 36 36 ALA N N 15 118.977 0.300 . 1 . . . . 114 ALA N . 11065 1 444 . 1 1 37 37 THR H H 1 7.886 0.020 . 1 . . . . 115 THR H . 11065 1 445 . 1 1 37 37 THR HA H 1 3.859 0.020 . 1 . . . . 115 THR HA . 11065 1 446 . 1 1 37 37 THR HB H 1 4.216 0.020 . 1 . . . . 115 THR HB . 11065 1 447 . 1 1 37 37 THR HG21 H 1 1.179 0.020 . 1 . . . . 115 THR HG2 . 11065 1 448 . 1 1 37 37 THR HG22 H 1 1.179 0.020 . 1 . . . . 115 THR HG2 . 11065 1 449 . 1 1 37 37 THR HG23 H 1 1.179 0.020 . 1 . . . . 115 THR HG2 . 11065 1 450 . 1 1 37 37 THR C C 13 175.630 0.300 . 1 . . . . 115 THR C . 11065 1 451 . 1 1 37 37 THR CA C 13 66.294 0.300 . 1 . . . . 115 THR CA . 11065 1 452 . 1 1 37 37 THR CB C 13 68.298 0.300 . 1 . . . . 115 THR CB . 11065 1 453 . 1 1 37 37 THR CG2 C 13 23.991 0.300 . 1 . . . . 115 THR CG2 . 11065 1 454 . 1 1 37 37 THR N N 15 117.602 0.300 . 1 . . . . 115 THR N . 11065 1 455 . 1 1 38 38 LEU H H 1 8.740 0.020 . 1 . . . . 116 LEU H . 11065 1 456 . 1 1 38 38 LEU HA H 1 3.904 0.020 . 1 . . . . 116 LEU HA . 11065 1 457 . 1 1 38 38 LEU HB2 H 1 2.001 0.020 . 2 . . . . 116 LEU HB2 . 11065 1 458 . 1 1 38 38 LEU HB3 H 1 1.050 0.020 . 2 . . . . 116 LEU HB3 . 11065 1 459 . 1 1 38 38 LEU HD11 H 1 0.891 0.020 . 2 . . . . 116 LEU HD1 . 11065 1 460 . 1 1 38 38 LEU HD12 H 1 0.891 0.020 . 2 . . . . 116 LEU HD1 . 11065 1 461 . 1 1 38 38 LEU HD13 H 1 0.891 0.020 . 2 . . . . 116 LEU HD1 . 11065 1 462 . 1 1 38 38 LEU HD21 H 1 0.955 0.020 . 2 . . . . 116 LEU HD2 . 11065 1 463 . 1 1 38 38 LEU HD22 H 1 0.955 0.020 . 2 . . . . 116 LEU HD2 . 11065 1 464 . 1 1 38 38 LEU HD23 H 1 0.955 0.020 . 2 . . . . 116 LEU HD2 . 11065 1 465 . 1 1 38 38 LEU HG H 1 1.465 0.020 . 1 . . . . 116 LEU HG . 11065 1 466 . 1 1 38 38 LEU C C 13 180.666 0.300 . 1 . . . . 116 LEU C . 11065 1 467 . 1 1 38 38 LEU CA C 13 58.166 0.300 . 1 . . . . 116 LEU CA . 11065 1 468 . 1 1 38 38 LEU CB C 13 43.034 0.300 . 1 . . . . 116 LEU CB . 11065 1 469 . 1 1 38 38 LEU CD1 C 13 25.555 0.300 . 1 . . . . 116 LEU CD1 . 11065 1 470 . 1 1 38 38 LEU CD2 C 13 24.120 0.300 . 1 . . . . 116 LEU CD2 . 11065 1 471 . 1 1 38 38 LEU CG C 13 27.527 0.300 . 1 . . . . 116 LEU CG . 11065 1 472 . 1 1 38 38 LEU N N 15 122.945 0.300 . 1 . . . . 116 LEU N . 11065 1 473 . 1 1 39 39 ALA H H 1 8.151 0.020 . 1 . . . . 117 ALA H . 11065 1 474 . 1 1 39 39 ALA HA H 1 3.776 0.020 . 1 . . . . 117 ALA HA . 11065 1 475 . 1 1 39 39 ALA HB1 H 1 0.993 0.020 . 1 . . . . 117 ALA HB . 11065 1 476 . 1 1 39 39 ALA HB2 H 1 0.993 0.020 . 1 . . . . 117 ALA HB . 11065 1 477 . 1 1 39 39 ALA HB3 H 1 0.993 0.020 . 1 . . . . 117 ALA HB . 11065 1 478 . 1 1 39 39 ALA C C 13 178.461 0.300 . 1 . . . . 117 ALA C . 11065 1 479 . 1 1 39 39 ALA CA C 13 53.839 0.300 . 1 . . . . 117 ALA CA . 11065 1 480 . 1 1 39 39 ALA CB C 13 17.406 0.300 . 1 . . . . 117 ALA CB . 11065 1 481 . 1 1 39 39 ALA N N 15 120.752 0.300 . 1 . . . . 117 ALA N . 11065 1 482 . 1 1 40 40 LEU H H 1 7.801 0.020 . 1 . . . . 118 LEU H . 11065 1 483 . 1 1 40 40 LEU HA H 1 3.892 0.020 . 1 . . . . 118 LEU HA . 11065 1 484 . 1 1 40 40 LEU HB2 H 1 1.627 0.020 . 2 . . . . 118 LEU HB2 . 11065 1 485 . 1 1 40 40 LEU HB3 H 1 1.916 0.020 . 2 . . . . 118 LEU HB3 . 11065 1 486 . 1 1 40 40 LEU HD11 H 1 0.921 0.020 . 2 . . . . 118 LEU HD1 . 11065 1 487 . 1 1 40 40 LEU HD12 H 1 0.921 0.020 . 2 . . . . 118 LEU HD1 . 11065 1 488 . 1 1 40 40 LEU HD13 H 1 0.921 0.020 . 2 . . . . 118 LEU HD1 . 11065 1 489 . 1 1 40 40 LEU HD21 H 1 0.943 0.020 . 2 . . . . 118 LEU HD2 . 11065 1 490 . 1 1 40 40 LEU HD22 H 1 0.943 0.020 . 2 . . . . 118 LEU HD2 . 11065 1 491 . 1 1 40 40 LEU HD23 H 1 0.943 0.020 . 2 . . . . 118 LEU HD2 . 11065 1 492 . 1 1 40 40 LEU C C 13 180.428 0.300 . 1 . . . . 118 LEU C . 11065 1 493 . 1 1 40 40 LEU CA C 13 57.978 0.300 . 1 . . . . 118 LEU CA . 11065 1 494 . 1 1 40 40 LEU CB C 13 42.699 0.300 . 1 . . . . 118 LEU CB . 11065 1 495 . 1 1 40 40 LEU CD1 C 13 23.703 0.300 . 1 . . . . 118 LEU CD1 . 11065 1 496 . 1 1 40 40 LEU CD2 C 13 25.801 0.300 . 1 . . . . 118 LEU CD2 . 11065 1 497 . 1 1 40 40 LEU N N 15 119.699 0.300 . 1 . . . . 118 LEU N . 11065 1 498 . 1 1 41 41 LEU H H 1 9.153 0.020 . 1 . . . . 119 LEU H . 11065 1 499 . 1 1 41 41 LEU HA H 1 4.181 0.020 . 1 . . . . 119 LEU HA . 11065 1 500 . 1 1 41 41 LEU HB2 H 1 1.630 0.020 . 2 . . . . 119 LEU HB2 . 11065 1 501 . 1 1 41 41 LEU HB3 H 1 1.822 0.020 . 2 . . . . 119 LEU HB3 . 11065 1 502 . 1 1 41 41 LEU HD11 H 1 0.559 0.020 . 2 . . . . 119 LEU HD1 . 11065 1 503 . 1 1 41 41 LEU HD12 H 1 0.559 0.020 . 2 . . . . 119 LEU HD1 . 11065 1 504 . 1 1 41 41 LEU HD13 H 1 0.559 0.020 . 2 . . . . 119 LEU HD1 . 11065 1 505 . 1 1 41 41 LEU HD21 H 1 0.347 0.020 . 2 . . . . 119 LEU HD2 . 11065 1 506 . 1 1 41 41 LEU HD22 H 1 0.347 0.020 . 2 . . . . 119 LEU HD2 . 11065 1 507 . 1 1 41 41 LEU HD23 H 1 0.347 0.020 . 2 . . . . 119 LEU HD2 . 11065 1 508 . 1 1 41 41 LEU HG H 1 1.755 0.020 . 1 . . . . 119 LEU HG . 11065 1 509 . 1 1 41 41 LEU C C 13 179.132 0.300 . 1 . . . . 119 LEU C . 11065 1 510 . 1 1 41 41 LEU CA C 13 58.696 0.300 . 1 . . . . 119 LEU CA . 11065 1 511 . 1 1 41 41 LEU CB C 13 39.102 0.300 . 1 . . . . 119 LEU CB . 11065 1 512 . 1 1 41 41 LEU CD1 C 13 26.381 0.300 . 1 . . . . 119 LEU CD1 . 11065 1 513 . 1 1 41 41 LEU CD2 C 13 22.417 0.300 . 1 . . . . 119 LEU CD2 . 11065 1 514 . 1 1 41 41 LEU CG C 13 26.690 0.300 . 1 . . . . 119 LEU CG . 11065 1 515 . 1 1 41 41 LEU N N 15 118.687 0.300 . 1 . . . . 119 LEU N . 11065 1 516 . 1 1 42 42 GLY H H 1 8.253 0.020 . 1 . . . . 120 GLY H . 11065 1 517 . 1 1 42 42 GLY HA2 H 1 4.016 0.020 . 2 . . . . 120 GLY HA2 . 11065 1 518 . 1 1 42 42 GLY HA3 H 1 3.610 0.020 . 2 . . . . 120 GLY HA3 . 11065 1 519 . 1 1 42 42 GLY C C 13 175.046 0.300 . 1 . . . . 120 GLY C . 11065 1 520 . 1 1 42 42 GLY CA C 13 48.060 0.300 . 1 . . . . 120 GLY CA . 11065 1 521 . 1 1 42 42 GLY N N 15 106.562 0.300 . 1 . . . . 120 GLY N . 11065 1 522 . 1 1 43 43 SER H H 1 8.456 0.020 . 1 . . . . 121 SER H . 11065 1 523 . 1 1 43 43 SER HA H 1 3.928 0.020 . 1 . . . . 121 SER HA . 11065 1 524 . 1 1 43 43 SER HB2 H 1 3.667 0.020 . 2 . . . . 121 SER HB2 . 11065 1 525 . 1 1 43 43 SER HB3 H 1 4.138 0.020 . 2 . . . . 121 SER HB3 . 11065 1 526 . 1 1 43 43 SER C C 13 175.318 0.300 . 1 . . . . 121 SER C . 11065 1 527 . 1 1 43 43 SER CA C 13 62.651 0.300 . 1 . . . . 121 SER CA . 11065 1 528 . 1 1 43 43 SER CB C 13 62.722 0.300 . 1 . . . . 121 SER CB . 11065 1 529 . 1 1 43 43 SER N N 15 117.787 0.300 . 1 . . . . 121 SER N . 11065 1 530 . 1 1 44 44 TYR H H 1 7.311 0.020 . 1 . . . . 122 TYR H . 11065 1 531 . 1 1 44 44 TYR HA H 1 4.635 0.020 . 1 . . . . 122 TYR HA . 11065 1 532 . 1 1 44 44 TYR HB2 H 1 3.183 0.020 . 2 . . . . 122 TYR HB2 . 11065 1 533 . 1 1 44 44 TYR HB3 H 1 3.602 0.020 . 2 . . . . 122 TYR HB3 . 11065 1 534 . 1 1 44 44 TYR HD1 H 1 6.829 0.020 . 1 . . . . 122 TYR HD1 . 11065 1 535 . 1 1 44 44 TYR HD2 H 1 6.829 0.020 . 1 . . . . 122 TYR HD2 . 11065 1 536 . 1 1 44 44 TYR HE1 H 1 6.189 0.020 . 1 . . . . 122 TYR HE1 . 11065 1 537 . 1 1 44 44 TYR HE2 H 1 6.189 0.020 . 1 . . . . 122 TYR HE2 . 11065 1 538 . 1 1 44 44 TYR C C 13 178.731 0.300 . 1 . . . . 122 TYR C . 11065 1 539 . 1 1 44 44 TYR CA C 13 61.704 0.300 . 1 . . . . 122 TYR CA . 11065 1 540 . 1 1 44 44 TYR CB C 13 38.809 0.300 . 1 . . . . 122 TYR CB . 11065 1 541 . 1 1 44 44 TYR CD1 C 13 131.334 0.300 . 1 . . . . 122 TYR CD1 . 11065 1 542 . 1 1 44 44 TYR CD2 C 13 131.334 0.300 . 1 . . . . 122 TYR CD2 . 11065 1 543 . 1 1 44 44 TYR CE1 C 13 118.692 0.300 . 1 . . . . 122 TYR CE1 . 11065 1 544 . 1 1 44 44 TYR CE2 C 13 118.692 0.300 . 1 . . . . 122 TYR CE2 . 11065 1 545 . 1 1 44 44 TYR N N 15 123.923 0.300 . 1 . . . . 122 TYR N . 11065 1 546 . 1 1 45 45 THR H H 1 8.748 0.020 . 1 . . . . 123 THR H . 11065 1 547 . 1 1 45 45 THR HA H 1 3.747 0.020 . 1 . . . . 123 THR HA . 11065 1 548 . 1 1 45 45 THR HB H 1 4.516 0.020 . 1 . . . . 123 THR HB . 11065 1 549 . 1 1 45 45 THR HG21 H 1 0.973 0.020 . 1 . . . . 123 THR HG2 . 11065 1 550 . 1 1 45 45 THR HG22 H 1 0.973 0.020 . 1 . . . . 123 THR HG2 . 11065 1 551 . 1 1 45 45 THR HG23 H 1 0.973 0.020 . 1 . . . . 123 THR HG2 . 11065 1 552 . 1 1 45 45 THR C C 13 175.781 0.300 . 1 . . . . 123 THR C . 11065 1 553 . 1 1 45 45 THR CA C 13 67.015 0.300 . 1 . . . . 123 THR CA . 11065 1 554 . 1 1 45 45 THR CB C 13 67.670 0.300 . 1 . . . . 123 THR CB . 11065 1 555 . 1 1 45 45 THR CG2 C 13 21.904 0.300 . 1 . . . . 123 THR CG2 . 11065 1 556 . 1 1 45 45 THR N N 15 121.374 0.300 . 1 . . . . 123 THR N . 11065 1 557 . 1 1 46 46 ILE H H 1 8.131 0.020 . 1 . . . . 124 ILE H . 11065 1 558 . 1 1 46 46 ILE HA H 1 3.161 0.020 . 1 . . . . 124 ILE HA . 11065 1 559 . 1 1 46 46 ILE HB H 1 1.543 0.020 . 1 . . . . 124 ILE HB . 11065 1 560 . 1 1 46 46 ILE HD11 H 1 -0.048 0.020 . 1 . . . . 124 ILE HD1 . 11065 1 561 . 1 1 46 46 ILE HD12 H 1 -0.048 0.020 . 1 . . . . 124 ILE HD1 . 11065 1 562 . 1 1 46 46 ILE HD13 H 1 -0.048 0.020 . 1 . . . . 124 ILE HD1 . 11065 1 563 . 1 1 46 46 ILE HG12 H 1 1.135 0.020 . 2 . . . . 124 ILE HG12 . 11065 1 564 . 1 1 46 46 ILE HG13 H 1 0.633 0.020 . 2 . . . . 124 ILE HG13 . 11065 1 565 . 1 1 46 46 ILE HG21 H 1 -0.138 0.020 . 1 . . . . 124 ILE HG2 . 11065 1 566 . 1 1 46 46 ILE HG22 H 1 -0.138 0.020 . 1 . . . . 124 ILE HG2 . 11065 1 567 . 1 1 46 46 ILE HG23 H 1 -0.138 0.020 . 1 . . . . 124 ILE HG2 . 11065 1 568 . 1 1 46 46 ILE C C 13 177.130 0.300 . 1 . . . . 124 ILE C . 11065 1 569 . 1 1 46 46 ILE CA C 13 62.478 0.300 . 1 . . . . 124 ILE CA . 11065 1 570 . 1 1 46 46 ILE CB C 13 35.268 0.300 . 1 . . . . 124 ILE CB . 11065 1 571 . 1 1 46 46 ILE CD1 C 13 10.197 0.300 . 1 . . . . 124 ILE CD1 . 11065 1 572 . 1 1 46 46 ILE CG1 C 13 27.067 0.300 . 1 . . . . 124 ILE CG1 . 11065 1 573 . 1 1 46 46 ILE CG2 C 13 16.430 0.300 . 1 . . . . 124 ILE CG2 . 11065 1 574 . 1 1 46 46 ILE N N 15 119.593 0.300 . 1 . . . . 124 ILE N . 11065 1 575 . 1 1 47 47 GLN H H 1 7.871 0.020 . 1 . . . . 125 GLN H . 11065 1 576 . 1 1 47 47 GLN HA H 1 4.110 0.020 . 1 . . . . 125 GLN HA . 11065 1 577 . 1 1 47 47 GLN HB2 H 1 2.042 0.020 . 2 . . . . 125 GLN HB2 . 11065 1 578 . 1 1 47 47 GLN HB3 H 1 2.042 0.020 . 2 . . . . 125 GLN HB3 . 11065 1 579 . 1 1 47 47 GLN HE21 H 1 7.296 0.020 . 2 . . . . 125 GLN HE21 . 11065 1 580 . 1 1 47 47 GLN HE22 H 1 7.700 0.020 . 2 . . . . 125 GLN HE22 . 11065 1 581 . 1 1 47 47 GLN HG2 H 1 2.784 0.020 . 2 . . . . 125 GLN HG2 . 11065 1 582 . 1 1 47 47 GLN HG3 H 1 2.784 0.020 . 2 . . . . 125 GLN HG3 . 11065 1 583 . 1 1 47 47 GLN C C 13 178.150 0.300 . 1 . . . . 125 GLN C . 11065 1 584 . 1 1 47 47 GLN CA C 13 58.333 0.300 . 1 . . . . 125 GLN CA . 11065 1 585 . 1 1 47 47 GLN CB C 13 27.448 0.300 . 1 . . . . 125 GLN CB . 11065 1 586 . 1 1 47 47 GLN CG C 13 32.187 0.300 . 1 . . . . 125 GLN CG . 11065 1 587 . 1 1 47 47 GLN N N 15 121.155 0.300 . 1 . . . . 125 GLN N . 11065 1 588 . 1 1 47 47 GLN NE2 N 15 110.315 0.300 . 1 . . . . 125 GLN NE2 . 11065 1 589 . 1 1 48 48 SER H H 1 8.194 0.020 . 1 . . . . 126 SER H . 11065 1 590 . 1 1 48 48 SER HA H 1 4.055 0.020 . 1 . . . . 126 SER HA . 11065 1 591 . 1 1 48 48 SER HB2 H 1 3.992 0.020 . 2 . . . . 126 SER HB2 . 11065 1 592 . 1 1 48 48 SER HB3 H 1 3.992 0.020 . 2 . . . . 126 SER HB3 . 11065 1 593 . 1 1 48 48 SER C C 13 176.209 0.300 . 1 . . . . 126 SER C . 11065 1 594 . 1 1 48 48 SER CA C 13 60.823 0.300 . 1 . . . . 126 SER CA . 11065 1 595 . 1 1 48 48 SER CB C 13 63.592 0.300 . 1 . . . . 126 SER CB . 11065 1 596 . 1 1 48 48 SER N N 15 111.964 0.300 . 1 . . . . 126 SER N . 11065 1 597 . 1 1 49 49 GLU H H 1 8.009 0.020 . 1 . . . . 127 GLU H . 11065 1 598 . 1 1 49 49 GLU HA H 1 4.296 0.020 . 1 . . . . 127 GLU HA . 11065 1 599 . 1 1 49 49 GLU HB2 H 1 1.799 0.020 . 2 . . . . 127 GLU HB2 . 11065 1 600 . 1 1 49 49 GLU HB3 H 1 2.150 0.020 . 2 . . . . 127 GLU HB3 . 11065 1 601 . 1 1 49 49 GLU HG2 H 1 2.419 0.020 . 2 . . . . 127 GLU HG2 . 11065 1 602 . 1 1 49 49 GLU HG3 H 1 2.309 0.020 . 2 . . . . 127 GLU HG3 . 11065 1 603 . 1 1 49 49 GLU C C 13 178.319 0.300 . 1 . . . . 127 GLU C . 11065 1 604 . 1 1 49 49 GLU CA C 13 58.376 0.300 . 1 . . . . 127 GLU CA . 11065 1 605 . 1 1 49 49 GLU CB C 13 30.928 0.300 . 1 . . . . 127 GLU CB . 11065 1 606 . 1 1 49 49 GLU CG C 13 35.867 0.300 . 1 . . . . 127 GLU CG . 11065 1 607 . 1 1 49 49 GLU N N 15 116.052 0.300 . 1 . . . . 127 GLU N . 11065 1 608 . 1 1 50 50 LEU H H 1 8.916 0.020 . 1 . . . . 128 LEU H . 11065 1 609 . 1 1 50 50 LEU HA H 1 4.549 0.020 . 1 . . . . 128 LEU HA . 11065 1 610 . 1 1 50 50 LEU HB2 H 1 1.561 0.020 . 2 . . . . 128 LEU HB2 . 11065 1 611 . 1 1 50 50 LEU HB3 H 1 1.432 0.020 . 2 . . . . 128 LEU HB3 . 11065 1 612 . 1 1 50 50 LEU HD11 H 1 0.744 0.020 . 2 . . . . 128 LEU HD1 . 11065 1 613 . 1 1 50 50 LEU HD12 H 1 0.744 0.020 . 2 . . . . 128 LEU HD1 . 11065 1 614 . 1 1 50 50 LEU HD13 H 1 0.744 0.020 . 2 . . . . 128 LEU HD1 . 11065 1 615 . 1 1 50 50 LEU HD21 H 1 0.855 0.020 . 2 . . . . 128 LEU HD2 . 11065 1 616 . 1 1 50 50 LEU HD22 H 1 0.855 0.020 . 2 . . . . 128 LEU HD2 . 11065 1 617 . 1 1 50 50 LEU HD23 H 1 0.855 0.020 . 2 . . . . 128 LEU HD2 . 11065 1 618 . 1 1 50 50 LEU HG H 1 1.460 0.020 . 1 . . . . 128 LEU HG . 11065 1 619 . 1 1 50 50 LEU C C 13 178.447 0.300 . 1 . . . . 128 LEU C . 11065 1 620 . 1 1 50 50 LEU CA C 13 55.159 0.300 . 1 . . . . 128 LEU CA . 11065 1 621 . 1 1 50 50 LEU CB C 13 43.500 0.300 . 1 . . . . 128 LEU CB . 11065 1 622 . 1 1 50 50 LEU CD1 C 13 25.271 0.300 . 1 . . . . 128 LEU CD1 . 11065 1 623 . 1 1 50 50 LEU CD2 C 13 23.477 0.300 . 1 . . . . 128 LEU CD2 . 11065 1 624 . 1 1 50 50 LEU CG C 13 26.570 0.300 . 1 . . . . 128 LEU CG . 11065 1 625 . 1 1 50 50 LEU N N 15 117.044 0.300 . 1 . . . . 128 LEU N . 11065 1 626 . 1 1 51 51 GLY H H 1 7.710 0.020 . 1 . . . . 129 GLY H . 11065 1 627 . 1 1 51 51 GLY HA2 H 1 4.261 0.020 . 2 . . . . 129 GLY HA2 . 11065 1 628 . 1 1 51 51 GLY HA3 H 1 3.994 0.020 . 2 . . . . 129 GLY HA3 . 11065 1 629 . 1 1 51 51 GLY C C 13 172.406 0.300 . 1 . . . . 129 GLY C . 11065 1 630 . 1 1 51 51 GLY CA C 13 44.162 0.300 . 1 . . . . 129 GLY CA . 11065 1 631 . 1 1 51 51 GLY N N 15 109.110 0.300 . 1 . . . . 129 GLY N . 11065 1 632 . 1 1 52 52 ASP H H 1 8.131 0.020 . 1 . . . . 130 ASP H . 11065 1 633 . 1 1 52 52 ASP HA H 1 4.577 0.020 . 1 . . . . 130 ASP HA . 11065 1 634 . 1 1 52 52 ASP HB2 H 1 2.580 0.020 . 2 . . . . 130 ASP HB2 . 11065 1 635 . 1 1 52 52 ASP HB3 H 1 2.580 0.020 . 2 . . . . 130 ASP HB3 . 11065 1 636 . 1 1 52 52 ASP C C 13 176.862 0.300 . 1 . . . . 130 ASP C . 11065 1 637 . 1 1 52 52 ASP CA C 13 54.581 0.300 . 1 . . . . 130 ASP CA . 11065 1 638 . 1 1 52 52 ASP CB C 13 41.028 0.300 . 1 . . . . 130 ASP CB . 11065 1 639 . 1 1 52 52 ASP N N 15 118.844 0.300 . 1 . . . . 130 ASP N . 11065 1 640 . 1 1 53 53 TYR H H 1 8.732 0.020 . 1 . . . . 131 TYR H . 11065 1 641 . 1 1 53 53 TYR HA H 1 4.410 0.020 . 1 . . . . 131 TYR HA . 11065 1 642 . 1 1 53 53 TYR HB2 H 1 2.302 0.020 . 2 . . . . 131 TYR HB2 . 11065 1 643 . 1 1 53 53 TYR HB3 H 1 2.128 0.020 . 2 . . . . 131 TYR HB3 . 11065 1 644 . 1 1 53 53 TYR HD1 H 1 6.868 0.020 . 1 . . . . 131 TYR HD1 . 11065 1 645 . 1 1 53 53 TYR HD2 H 1 6.868 0.020 . 1 . . . . 131 TYR HD2 . 11065 1 646 . 1 1 53 53 TYR HE1 H 1 6.796 0.020 . 1 . . . . 131 TYR HE1 . 11065 1 647 . 1 1 53 53 TYR HE2 H 1 6.796 0.020 . 1 . . . . 131 TYR HE2 . 11065 1 648 . 1 1 53 53 TYR C C 13 174.929 0.300 . 1 . . . . 131 TYR C . 11065 1 649 . 1 1 53 53 TYR CA C 13 58.452 0.300 . 1 . . . . 131 TYR CA . 11065 1 650 . 1 1 53 53 TYR CB C 13 37.536 0.300 . 1 . . . . 131 TYR CB . 11065 1 651 . 1 1 53 53 TYR CD1 C 13 133.394 0.300 . 1 . . . . 131 TYR CD1 . 11065 1 652 . 1 1 53 53 TYR CD2 C 13 133.394 0.300 . 1 . . . . 131 TYR CD2 . 11065 1 653 . 1 1 53 53 TYR CE1 C 13 117.754 0.300 . 1 . . . . 131 TYR CE1 . 11065 1 654 . 1 1 53 53 TYR CE2 C 13 117.754 0.300 . 1 . . . . 131 TYR CE2 . 11065 1 655 . 1 1 53 53 TYR N N 15 121.518 0.300 . 1 . . . . 131 TYR N . 11065 1 656 . 1 1 54 54 ASP H H 1 9.981 0.020 . 1 . . . . 132 ASP H . 11065 1 657 . 1 1 54 54 ASP HA H 1 4.652 0.020 . 1 . . . . 132 ASP HA . 11065 1 658 . 1 1 54 54 ASP HB2 H 1 2.161 0.020 . 2 . . . . 132 ASP HB2 . 11065 1 659 . 1 1 54 54 ASP HB3 H 1 2.161 0.020 . 2 . . . . 132 ASP HB3 . 11065 1 660 . 1 1 54 54 ASP CA C 13 49.843 0.300 . 1 . . . . 132 ASP CA . 11065 1 661 . 1 1 54 54 ASP CB C 13 42.737 0.300 . 1 . . . . 132 ASP CB . 11065 1 662 . 1 1 54 54 ASP N N 15 132.995 0.300 . 1 . . . . 132 ASP N . 11065 1 663 . 1 1 55 55 PRO HA H 1 4.117 0.020 . 1 . . . . 133 PRO HA . 11065 1 664 . 1 1 55 55 PRO HB2 H 1 2.420 0.020 . 2 . . . . 133 PRO HB2 . 11065 1 665 . 1 1 55 55 PRO HB3 H 1 2.003 0.020 . 2 . . . . 133 PRO HB3 . 11065 1 666 . 1 1 55 55 PRO HD2 H 1 3.279 0.020 . 2 . . . . 133 PRO HD2 . 11065 1 667 . 1 1 55 55 PRO HD3 H 1 3.789 0.020 . 2 . . . . 133 PRO HD3 . 11065 1 668 . 1 1 55 55 PRO HG2 H 1 2.001 0.020 . 2 . . . . 133 PRO HG2 . 11065 1 669 . 1 1 55 55 PRO HG3 H 1 2.080 0.020 . 2 . . . . 133 PRO HG3 . 11065 1 670 . 1 1 55 55 PRO C C 13 178.353 0.300 . 1 . . . . 133 PRO C . 11065 1 671 . 1 1 55 55 PRO CA C 13 64.216 0.300 . 1 . . . . 133 PRO CA . 11065 1 672 . 1 1 55 55 PRO CB C 13 32.133 0.300 . 1 . . . . 133 PRO CB . 11065 1 673 . 1 1 55 55 PRO CD C 13 50.630 0.300 . 1 . . . . 133 PRO CD . 11065 1 674 . 1 1 55 55 PRO CG C 13 27.005 0.300 . 1 . . . . 133 PRO CG . 11065 1 675 . 1 1 56 56 GLU H H 1 7.968 0.020 . 1 . . . . 134 GLU H . 11065 1 676 . 1 1 56 56 GLU HA H 1 4.047 0.020 . 1 . . . . 134 GLU HA . 11065 1 677 . 1 1 56 56 GLU HB2 H 1 1.894 0.020 . 2 . . . . 134 GLU HB2 . 11065 1 678 . 1 1 56 56 GLU HB3 H 1 1.926 0.020 . 2 . . . . 134 GLU HB3 . 11065 1 679 . 1 1 56 56 GLU HG2 H 1 2.124 0.020 . 2 . . . . 134 GLU HG2 . 11065 1 680 . 1 1 56 56 GLU HG3 H 1 2.239 0.020 . 2 . . . . 134 GLU HG3 . 11065 1 681 . 1 1 56 56 GLU C C 13 177.001 0.300 . 1 . . . . 134 GLU C . 11065 1 682 . 1 1 56 56 GLU CA C 13 57.984 0.300 . 1 . . . . 134 GLU CA . 11065 1 683 . 1 1 56 56 GLU CB C 13 29.667 0.300 . 1 . . . . 134 GLU CB . 11065 1 684 . 1 1 56 56 GLU CG C 13 36.585 0.300 . 1 . . . . 134 GLU CG . 11065 1 685 . 1 1 56 56 GLU N N 15 116.491 0.300 . 1 . . . . 134 GLU N . 11065 1 686 . 1 1 57 57 LEU H H 1 7.137 0.020 . 1 . . . . 135 LEU H . 11065 1 687 . 1 1 57 57 LEU HA H 1 4.186 0.020 . 1 . . . . 135 LEU HA . 11065 1 688 . 1 1 57 57 LEU HB2 H 1 0.793 0.020 . 2 . . . . 135 LEU HB2 . 11065 1 689 . 1 1 57 57 LEU HB3 H 1 1.007 0.020 . 2 . . . . 135 LEU HB3 . 11065 1 690 . 1 1 57 57 LEU HD11 H 1 0.747 0.020 . 2 . . . . 135 LEU HD1 . 11065 1 691 . 1 1 57 57 LEU HD12 H 1 0.747 0.020 . 2 . . . . 135 LEU HD1 . 11065 1 692 . 1 1 57 57 LEU HD13 H 1 0.747 0.020 . 2 . . . . 135 LEU HD1 . 11065 1 693 . 1 1 57 57 LEU HD21 H 1 0.683 0.020 . 2 . . . . 135 LEU HD2 . 11065 1 694 . 1 1 57 57 LEU HD22 H 1 0.683 0.020 . 2 . . . . 135 LEU HD2 . 11065 1 695 . 1 1 57 57 LEU HD23 H 1 0.683 0.020 . 2 . . . . 135 LEU HD2 . 11065 1 696 . 1 1 57 57 LEU HG H 1 1.218 0.020 . 1 . . . . 135 LEU HG . 11065 1 697 . 1 1 57 57 LEU C C 13 177.695 0.300 . 1 . . . . 135 LEU C . 11065 1 698 . 1 1 57 57 LEU CA C 13 55.372 0.300 . 1 . . . . 135 LEU CA . 11065 1 699 . 1 1 57 57 LEU CB C 13 43.889 0.300 . 1 . . . . 135 LEU CB . 11065 1 700 . 1 1 57 57 LEU CD1 C 13 24.277 0.300 . 1 . . . . 135 LEU CD1 . 11065 1 701 . 1 1 57 57 LEU CD2 C 13 23.229 0.300 . 1 . . . . 135 LEU CD2 . 11065 1 702 . 1 1 57 57 LEU CG C 13 26.703 0.300 . 1 . . . . 135 LEU CG . 11065 1 703 . 1 1 57 57 LEU N N 15 118.254 0.300 . 1 . . . . 135 LEU N . 11065 1 704 . 1 1 58 58 HIS H H 1 8.121 0.020 . 1 . . . . 136 HIS H . 11065 1 705 . 1 1 58 58 HIS HA H 1 4.560 0.020 . 1 . . . . 136 HIS HA . 11065 1 706 . 1 1 58 58 HIS HB2 H 1 2.591 0.020 . 2 . . . . 136 HIS HB2 . 11065 1 707 . 1 1 58 58 HIS HB3 H 1 1.913 0.020 . 2 . . . . 136 HIS HB3 . 11065 1 708 . 1 1 58 58 HIS HD2 H 1 6.880 0.020 . 1 . . . . 136 HIS HD2 . 11065 1 709 . 1 1 58 58 HIS C C 13 176.135 0.300 . 1 . . . . 136 HIS C . 11065 1 710 . 1 1 58 58 HIS CA C 13 56.134 0.300 . 1 . . . . 136 HIS CA . 11065 1 711 . 1 1 58 58 HIS CB C 13 31.534 0.300 . 1 . . . . 136 HIS CB . 11065 1 712 . 1 1 58 58 HIS CD2 C 13 114.769 0.300 . 1 . . . . 136 HIS CD2 . 11065 1 713 . 1 1 58 58 HIS N N 15 120.254 0.300 . 1 . . . . 136 HIS N . 11065 1 714 . 1 1 59 59 GLY H H 1 7.890 0.020 . 1 . . . . 137 GLY H . 11065 1 715 . 1 1 59 59 GLY HA2 H 1 4.166 0.020 . 2 . . . . 137 GLY HA2 . 11065 1 716 . 1 1 59 59 GLY HA3 H 1 3.990 0.020 . 2 . . . . 137 GLY HA3 . 11065 1 717 . 1 1 59 59 GLY C C 13 175.021 0.300 . 1 . . . . 137 GLY C . 11065 1 718 . 1 1 59 59 GLY CA C 13 45.431 0.300 . 1 . . . . 137 GLY CA . 11065 1 719 . 1 1 59 59 GLY N N 15 108.183 0.300 . 1 . . . . 137 GLY N . 11065 1 720 . 1 1 60 60 VAL H H 1 8.519 0.020 . 1 . . . . 138 VAL H . 11065 1 721 . 1 1 60 60 VAL HA H 1 4.503 0.020 . 1 . . . . 138 VAL HA . 11065 1 722 . 1 1 60 60 VAL HB H 1 2.317 0.020 . 1 . . . . 138 VAL HB . 11065 1 723 . 1 1 60 60 VAL HG11 H 1 1.022 0.020 . 2 . . . . 138 VAL HG1 . 11065 1 724 . 1 1 60 60 VAL HG12 H 1 1.022 0.020 . 2 . . . . 138 VAL HG1 . 11065 1 725 . 1 1 60 60 VAL HG13 H 1 1.022 0.020 . 2 . . . . 138 VAL HG1 . 11065 1 726 . 1 1 60 60 VAL HG21 H 1 0.983 0.020 . 2 . . . . 138 VAL HG2 . 11065 1 727 . 1 1 60 60 VAL HG22 H 1 0.983 0.020 . 2 . . . . 138 VAL HG2 . 11065 1 728 . 1 1 60 60 VAL HG23 H 1 0.983 0.020 . 2 . . . . 138 VAL HG2 . 11065 1 729 . 1 1 60 60 VAL C C 13 176.419 0.300 . 1 . . . . 138 VAL C . 11065 1 730 . 1 1 60 60 VAL CA C 13 62.905 0.300 . 1 . . . . 138 VAL CA . 11065 1 731 . 1 1 60 60 VAL CB C 13 32.421 0.300 . 1 . . . . 138 VAL CB . 11065 1 732 . 1 1 60 60 VAL CG1 C 13 21.058 0.300 . 1 . . . . 138 VAL CG1 . 11065 1 733 . 1 1 60 60 VAL CG2 C 13 19.450 0.300 . 1 . . . . 138 VAL CG2 . 11065 1 734 . 1 1 60 60 VAL N N 15 116.738 0.300 . 1 . . . . 138 VAL N . 11065 1 735 . 1 1 61 61 ASP H H 1 8.525 0.020 . 1 . . . . 139 ASP H . 11065 1 736 . 1 1 61 61 ASP HA H 1 4.959 0.020 . 1 . . . . 139 ASP HA . 11065 1 737 . 1 1 61 61 ASP HB2 H 1 2.876 0.020 . 2 . . . . 139 ASP HB2 . 11065 1 738 . 1 1 61 61 ASP HB3 H 1 2.663 0.020 . 2 . . . . 139 ASP HB3 . 11065 1 739 . 1 1 61 61 ASP C C 13 177.816 0.300 . 1 . . . . 139 ASP C . 11065 1 740 . 1 1 61 61 ASP CA C 13 54.278 0.300 . 1 . . . . 139 ASP CA . 11065 1 741 . 1 1 61 61 ASP CB C 13 40.771 0.300 . 1 . . . . 139 ASP CB . 11065 1 742 . 1 1 61 61 ASP N N 15 120.408 0.300 . 1 . . . . 139 ASP N . 11065 1 743 . 1 1 62 62 TYR H H 1 7.553 0.020 . 1 . . . . 140 TYR H . 11065 1 744 . 1 1 62 62 TYR HA H 1 4.611 0.020 . 1 . . . . 140 TYR HA . 11065 1 745 . 1 1 62 62 TYR HB2 H 1 3.234 0.020 . 2 . . . . 140 TYR HB2 . 11065 1 746 . 1 1 62 62 TYR HB3 H 1 3.545 0.020 . 2 . . . . 140 TYR HB3 . 11065 1 747 . 1 1 62 62 TYR HD1 H 1 7.002 0.020 . 1 . . . . 140 TYR HD1 . 11065 1 748 . 1 1 62 62 TYR HD2 H 1 7.002 0.020 . 1 . . . . 140 TYR HD2 . 11065 1 749 . 1 1 62 62 TYR HE1 H 1 6.618 0.020 . 1 . . . . 140 TYR HE1 . 11065 1 750 . 1 1 62 62 TYR HE2 H 1 6.618 0.020 . 1 . . . . 140 TYR HE2 . 11065 1 751 . 1 1 62 62 TYR C C 13 176.791 0.300 . 1 . . . . 140 TYR C . 11065 1 752 . 1 1 62 62 TYR CA C 13 59.811 0.300 . 1 . . . . 140 TYR CA . 11065 1 753 . 1 1 62 62 TYR CB C 13 37.453 0.300 . 1 . . . . 140 TYR CB . 11065 1 754 . 1 1 62 62 TYR CD1 C 13 133.965 0.300 . 1 . . . . 140 TYR CD1 . 11065 1 755 . 1 1 62 62 TYR CD2 C 13 133.965 0.300 . 1 . . . . 140 TYR CD2 . 11065 1 756 . 1 1 62 62 TYR CE1 C 13 118.705 0.300 . 1 . . . . 140 TYR CE1 . 11065 1 757 . 1 1 62 62 TYR CE2 C 13 118.705 0.300 . 1 . . . . 140 TYR CE2 . 11065 1 758 . 1 1 62 62 TYR N N 15 118.187 0.300 . 1 . . . . 140 TYR N . 11065 1 759 . 1 1 63 63 VAL H H 1 7.645 0.020 . 1 . . . . 141 VAL H . 11065 1 760 . 1 1 63 63 VAL HA H 1 3.861 0.020 . 1 . . . . 141 VAL HA . 11065 1 761 . 1 1 63 63 VAL HB H 1 1.794 0.020 . 1 . . . . 141 VAL HB . 11065 1 762 . 1 1 63 63 VAL HG11 H 1 0.560 0.020 . 2 . . . . 141 VAL HG1 . 11065 1 763 . 1 1 63 63 VAL HG12 H 1 0.560 0.020 . 2 . . . . 141 VAL HG1 . 11065 1 764 . 1 1 63 63 VAL HG13 H 1 0.560 0.020 . 2 . . . . 141 VAL HG1 . 11065 1 765 . 1 1 63 63 VAL HG21 H 1 0.305 0.020 . 2 . . . . 141 VAL HG2 . 11065 1 766 . 1 1 63 63 VAL HG22 H 1 0.305 0.020 . 2 . . . . 141 VAL HG2 . 11065 1 767 . 1 1 63 63 VAL HG23 H 1 0.305 0.020 . 2 . . . . 141 VAL HG2 . 11065 1 768 . 1 1 63 63 VAL C C 13 176.409 0.300 . 1 . . . . 141 VAL C . 11065 1 769 . 1 1 63 63 VAL CA C 13 63.504 0.300 . 1 . . . . 141 VAL CA . 11065 1 770 . 1 1 63 63 VAL CB C 13 31.598 0.300 . 1 . . . . 141 VAL CB . 11065 1 771 . 1 1 63 63 VAL CG1 C 13 23.057 0.300 . 1 . . . . 141 VAL CG1 . 11065 1 772 . 1 1 63 63 VAL CG2 C 13 21.701 0.300 . 1 . . . . 141 VAL CG2 . 11065 1 773 . 1 1 63 63 VAL N N 15 118.945 0.300 . 1 . . . . 141 VAL N . 11065 1 774 . 1 1 64 64 SER H H 1 7.611 0.020 . 1 . . . . 142 SER H . 11065 1 775 . 1 1 64 64 SER HA H 1 4.234 0.020 . 1 . . . . 142 SER HA . 11065 1 776 . 1 1 64 64 SER HB2 H 1 3.954 0.020 . 2 . . . . 142 SER HB2 . 11065 1 777 . 1 1 64 64 SER HB3 H 1 4.018 0.020 . 2 . . . . 142 SER HB3 . 11065 1 778 . 1 1 64 64 SER C C 13 175.035 0.300 . 1 . . . . 142 SER C . 11065 1 779 . 1 1 64 64 SER CA C 13 60.628 0.300 . 1 . . . . 142 SER CA . 11065 1 780 . 1 1 64 64 SER CB C 13 63.183 0.300 . 1 . . . . 142 SER CB . 11065 1 781 . 1 1 64 64 SER N N 15 113.661 0.300 . 1 . . . . 142 SER N . 11065 1 782 . 1 1 65 65 ASP H H 1 7.440 0.020 . 1 . . . . 143 ASP H . 11065 1 783 . 1 1 65 65 ASP HA H 1 4.568 0.020 . 1 . . . . 143 ASP HA . 11065 1 784 . 1 1 65 65 ASP HB2 H 1 2.490 0.020 . 2 . . . . 143 ASP HB2 . 11065 1 785 . 1 1 65 65 ASP HB3 H 1 2.387 0.020 . 2 . . . . 143 ASP HB3 . 11065 1 786 . 1 1 65 65 ASP C C 13 175.376 0.300 . 1 . . . . 143 ASP C . 11065 1 787 . 1 1 65 65 ASP CA C 13 55.077 0.300 . 1 . . . . 143 ASP CA . 11065 1 788 . 1 1 65 65 ASP CB C 13 40.913 0.300 . 1 . . . . 143 ASP CB . 11065 1 789 . 1 1 65 65 ASP N N 15 118.332 0.300 . 1 . . . . 143 ASP N . 11065 1 790 . 1 1 66 66 PHE H H 1 8.115 0.020 . 1 . . . . 144 PHE H . 11065 1 791 . 1 1 66 66 PHE HA H 1 4.369 0.020 . 1 . . . . 144 PHE HA . 11065 1 792 . 1 1 66 66 PHE HB2 H 1 2.977 0.020 . 2 . . . . 144 PHE HB2 . 11065 1 793 . 1 1 66 66 PHE HB3 H 1 2.717 0.020 . 2 . . . . 144 PHE HB3 . 11065 1 794 . 1 1 66 66 PHE HD1 H 1 7.187 0.020 . 1 . . . . 144 PHE HD1 . 11065 1 795 . 1 1 66 66 PHE HD2 H 1 7.187 0.020 . 1 . . . . 144 PHE HD2 . 11065 1 796 . 1 1 66 66 PHE HE1 H 1 7.309 0.020 . 1 . . . . 144 PHE HE1 . 11065 1 797 . 1 1 66 66 PHE HE2 H 1 7.309 0.020 . 1 . . . . 144 PHE HE2 . 11065 1 798 . 1 1 66 66 PHE C C 13 174.524 0.300 . 1 . . . . 144 PHE C . 11065 1 799 . 1 1 66 66 PHE CA C 13 57.705 0.300 . 1 . . . . 144 PHE CA . 11065 1 800 . 1 1 66 66 PHE CB C 13 41.033 0.300 . 1 . . . . 144 PHE CB . 11065 1 801 . 1 1 66 66 PHE CD1 C 13 131.669 0.300 . 1 . . . . 144 PHE CD1 . 11065 1 802 . 1 1 66 66 PHE CD2 C 13 131.669 0.300 . 1 . . . . 144 PHE CD2 . 11065 1 803 . 1 1 66 66 PHE CE1 C 13 130.982 0.300 . 1 . . . . 144 PHE CE1 . 11065 1 804 . 1 1 66 66 PHE CE2 C 13 130.982 0.300 . 1 . . . . 144 PHE CE2 . 11065 1 805 . 1 1 66 66 PHE N N 15 120.277 0.300 . 1 . . . . 144 PHE N . 11065 1 806 . 1 1 67 67 LYS H H 1 8.688 0.020 . 1 . . . . 145 LYS H . 11065 1 807 . 1 1 67 67 LYS HA H 1 4.671 0.020 . 1 . . . . 145 LYS HA . 11065 1 808 . 1 1 67 67 LYS HB2 H 1 1.731 0.020 . 2 . . . . 145 LYS HB2 . 11065 1 809 . 1 1 67 67 LYS HB3 H 1 1.779 0.020 . 2 . . . . 145 LYS HB3 . 11065 1 810 . 1 1 67 67 LYS HD2 H 1 1.666 0.020 . 2 . . . . 145 LYS HD2 . 11065 1 811 . 1 1 67 67 LYS HD3 H 1 1.666 0.020 . 2 . . . . 145 LYS HD3 . 11065 1 812 . 1 1 67 67 LYS HE2 H 1 2.971 0.020 . 2 . . . . 145 LYS HE2 . 11065 1 813 . 1 1 67 67 LYS HE3 H 1 2.971 0.020 . 2 . . . . 145 LYS HE3 . 11065 1 814 . 1 1 67 67 LYS HG2 H 1 1.466 0.020 . 2 . . . . 145 LYS HG2 . 11065 1 815 . 1 1 67 67 LYS HG3 H 1 1.378 0.020 . 2 . . . . 145 LYS HG3 . 11065 1 816 . 1 1 67 67 LYS C C 13 175.437 0.300 . 1 . . . . 145 LYS C . 11065 1 817 . 1 1 67 67 LYS CA C 13 55.418 0.300 . 1 . . . . 145 LYS CA . 11065 1 818 . 1 1 67 67 LYS CB C 13 31.784 0.300 . 1 . . . . 145 LYS CB . 11065 1 819 . 1 1 67 67 LYS CD C 13 28.904 0.300 . 1 . . . . 145 LYS CD . 11065 1 820 . 1 1 67 67 LYS CE C 13 42.188 0.300 . 1 . . . . 145 LYS CE . 11065 1 821 . 1 1 67 67 LYS CG C 13 24.763 0.300 . 1 . . . . 145 LYS CG . 11065 1 822 . 1 1 67 67 LYS N N 15 122.931 0.300 . 1 . . . . 145 LYS N . 11065 1 823 . 1 1 68 68 LEU H H 1 9.642 0.020 . 1 . . . . 146 LEU H . 11065 1 824 . 1 1 68 68 LEU HA H 1 4.484 0.020 . 1 . . . . 146 LEU HA . 11065 1 825 . 1 1 68 68 LEU HB2 H 1 1.527 0.020 . 2 . . . . 146 LEU HB2 . 11065 1 826 . 1 1 68 68 LEU HB3 H 1 1.365 0.020 . 2 . . . . 146 LEU HB3 . 11065 1 827 . 1 1 68 68 LEU HD11 H 1 0.653 0.020 . 2 . . . . 146 LEU HD1 . 11065 1 828 . 1 1 68 68 LEU HD12 H 1 0.653 0.020 . 2 . . . . 146 LEU HD1 . 11065 1 829 . 1 1 68 68 LEU HD13 H 1 0.653 0.020 . 2 . . . . 146 LEU HD1 . 11065 1 830 . 1 1 68 68 LEU HD21 H 1 0.832 0.020 . 2 . . . . 146 LEU HD2 . 11065 1 831 . 1 1 68 68 LEU HD22 H 1 0.832 0.020 . 2 . . . . 146 LEU HD2 . 11065 1 832 . 1 1 68 68 LEU HD23 H 1 0.832 0.020 . 2 . . . . 146 LEU HD2 . 11065 1 833 . 1 1 68 68 LEU HG H 1 1.609 0.020 . 1 . . . . 146 LEU HG . 11065 1 834 . 1 1 68 68 LEU C C 13 175.512 0.300 . 1 . . . . 146 LEU C . 11065 1 835 . 1 1 68 68 LEU CA C 13 54.375 0.300 . 1 . . . . 146 LEU CA . 11065 1 836 . 1 1 68 68 LEU CB C 13 44.114 0.300 . 1 . . . . 146 LEU CB . 11065 1 837 . 1 1 68 68 LEU CD1 C 13 26.562 0.300 . 1 . . . . 146 LEU CD1 . 11065 1 838 . 1 1 68 68 LEU CD2 C 13 23.032 0.300 . 1 . . . . 146 LEU CD2 . 11065 1 839 . 1 1 68 68 LEU CG C 13 26.291 0.300 . 1 . . . . 146 LEU CG . 11065 1 840 . 1 1 68 68 LEU N N 15 123.156 0.300 . 1 . . . . 146 LEU N . 11065 1 841 . 1 1 69 69 ALA H H 1 7.586 0.020 . 1 . . . . 147 ALA H . 11065 1 842 . 1 1 69 69 ALA HA H 1 4.597 0.020 . 1 . . . . 147 ALA HA . 11065 1 843 . 1 1 69 69 ALA HB1 H 1 1.223 0.020 . 1 . . . . 147 ALA HB . 11065 1 844 . 1 1 69 69 ALA HB2 H 1 1.223 0.020 . 1 . . . . 147 ALA HB . 11065 1 845 . 1 1 69 69 ALA HB3 H 1 1.223 0.020 . 1 . . . . 147 ALA HB . 11065 1 846 . 1 1 69 69 ALA C C 13 173.720 0.300 . 1 . . . . 147 ALA C . 11065 1 847 . 1 1 69 69 ALA CA C 13 49.637 0.300 . 1 . . . . 147 ALA CA . 11065 1 848 . 1 1 69 69 ALA CB C 13 22.691 0.300 . 1 . . . . 147 ALA CB . 11065 1 849 . 1 1 69 69 ALA N N 15 117.486 0.300 . 1 . . . . 147 ALA N . 11065 1 850 . 1 1 70 70 PRO HA H 1 4.578 0.020 . 1 . . . . 148 PRO HA . 11065 1 851 . 1 1 70 70 PRO HB2 H 1 2.358 0.020 . 2 . . . . 148 PRO HB2 . 11065 1 852 . 1 1 70 70 PRO HB3 H 1 1.932 0.020 . 2 . . . . 148 PRO HB3 . 11065 1 853 . 1 1 70 70 PRO HD2 H 1 3.863 0.020 . 2 . . . . 148 PRO HD2 . 11065 1 854 . 1 1 70 70 PRO HD3 H 1 3.696 0.020 . 2 . . . . 148 PRO HD3 . 11065 1 855 . 1 1 70 70 PRO HG2 H 1 2.117 0.020 . 2 . . . . 148 PRO HG2 . 11065 1 856 . 1 1 70 70 PRO HG3 H 1 1.945 0.020 . 2 . . . . 148 PRO HG3 . 11065 1 857 . 1 1 70 70 PRO C C 13 176.996 0.300 . 1 . . . . 148 PRO C . 11065 1 858 . 1 1 70 70 PRO CA C 13 64.435 0.300 . 1 . . . . 148 PRO CA . 11065 1 859 . 1 1 70 70 PRO CB C 13 31.448 0.300 . 1 . . . . 148 PRO CB . 11065 1 860 . 1 1 70 70 PRO CD C 13 50.305 0.300 . 1 . . . . 148 PRO CD . 11065 1 861 . 1 1 70 70 PRO CG C 13 26.956 0.300 . 1 . . . . 148 PRO CG . 11065 1 862 . 1 1 71 71 ASN H H 1 8.221 0.020 . 1 . . . . 149 ASN H . 11065 1 863 . 1 1 71 71 ASN HA H 1 4.783 0.020 . 1 . . . . 149 ASN HA . 11065 1 864 . 1 1 71 71 ASN HB2 H 1 2.693 0.020 . 2 . . . . 149 ASN HB2 . 11065 1 865 . 1 1 71 71 ASN HB3 H 1 2.817 0.020 . 2 . . . . 149 ASN HB3 . 11065 1 866 . 1 1 71 71 ASN HD21 H 1 6.884 0.020 . 2 . . . . 149 ASN HD21 . 11065 1 867 . 1 1 71 71 ASN HD22 H 1 7.612 0.020 . 2 . . . . 149 ASN HD22 . 11065 1 868 . 1 1 71 71 ASN C C 13 173.865 0.300 . 1 . . . . 149 ASN C . 11065 1 869 . 1 1 71 71 ASN CA C 13 52.308 0.300 . 1 . . . . 149 ASN CA . 11065 1 870 . 1 1 71 71 ASN CB C 13 38.065 0.300 . 1 . . . . 149 ASN CB . 11065 1 871 . 1 1 71 71 ASN N N 15 116.940 0.300 . 1 . . . . 149 ASN N . 11065 1 872 . 1 1 71 71 ASN ND2 N 15 112.721 0.300 . 1 . . . . 149 ASN ND2 . 11065 1 873 . 1 1 72 72 GLN H H 1 8.467 0.020 . 1 . . . . 150 GLN H . 11065 1 874 . 1 1 72 72 GLN HA H 1 3.962 0.020 . 1 . . . . 150 GLN HA . 11065 1 875 . 1 1 72 72 GLN HB2 H 1 2.169 0.020 . 2 . . . . 150 GLN HB2 . 11065 1 876 . 1 1 72 72 GLN HB3 H 1 2.330 0.020 . 2 . . . . 150 GLN HB3 . 11065 1 877 . 1 1 72 72 GLN HE21 H 1 7.239 0.020 . 2 . . . . 150 GLN HE21 . 11065 1 878 . 1 1 72 72 GLN HE22 H 1 9.125 0.020 . 2 . . . . 150 GLN HE22 . 11065 1 879 . 1 1 72 72 GLN HG2 H 1 2.577 0.020 . 2 . . . . 150 GLN HG2 . 11065 1 880 . 1 1 72 72 GLN HG3 H 1 1.821 0.020 . 2 . . . . 150 GLN HG3 . 11065 1 881 . 1 1 72 72 GLN C C 13 174.832 0.300 . 1 . . . . 150 GLN C . 11065 1 882 . 1 1 72 72 GLN CA C 13 57.793 0.300 . 1 . . . . 150 GLN CA . 11065 1 883 . 1 1 72 72 GLN CB C 13 29.029 0.300 . 1 . . . . 150 GLN CB . 11065 1 884 . 1 1 72 72 GLN CG C 13 33.952 0.300 . 1 . . . . 150 GLN CG . 11065 1 885 . 1 1 72 72 GLN N N 15 123.793 0.300 . 1 . . . . 150 GLN N . 11065 1 886 . 1 1 72 72 GLN NE2 N 15 113.626 0.300 . 1 . . . . 150 GLN NE2 . 11065 1 887 . 1 1 73 73 THR H H 1 7.040 0.020 . 1 . . . . 151 THR H . 11065 1 888 . 1 1 73 73 THR HA H 1 4.668 0.020 . 1 . . . . 151 THR HA . 11065 1 889 . 1 1 73 73 THR HB H 1 4.780 0.020 . 1 . . . . 151 THR HB . 11065 1 890 . 1 1 73 73 THR HG21 H 1 1.323 0.020 . 1 . . . . 151 THR HG2 . 11065 1 891 . 1 1 73 73 THR HG22 H 1 1.323 0.020 . 1 . . . . 151 THR HG2 . 11065 1 892 . 1 1 73 73 THR HG23 H 1 1.323 0.020 . 1 . . . . 151 THR HG2 . 11065 1 893 . 1 1 73 73 THR C C 13 175.175 0.300 . 1 . . . . 151 THR C . 11065 1 894 . 1 1 73 73 THR CA C 13 59.504 0.300 . 1 . . . . 151 THR CA . 11065 1 895 . 1 1 73 73 THR CB C 13 72.544 0.300 . 1 . . . . 151 THR CB . 11065 1 896 . 1 1 73 73 THR CG2 C 13 21.930 0.300 . 1 . . . . 151 THR CG2 . 11065 1 897 . 1 1 73 73 THR N N 15 115.239 0.300 . 1 . . . . 151 THR N . 11065 1 898 . 1 1 74 74 LYS H H 1 8.949 0.020 . 1 . . . . 152 LYS H . 11065 1 899 . 1 1 74 74 LYS HA H 1 4.109 0.020 . 1 . . . . 152 LYS HA . 11065 1 900 . 1 1 74 74 LYS HB2 H 1 1.834 0.020 . 2 . . . . 152 LYS HB2 . 11065 1 901 . 1 1 74 74 LYS HB3 H 1 1.903 0.020 . 2 . . . . 152 LYS HB3 . 11065 1 902 . 1 1 74 74 LYS HD2 H 1 1.731 0.020 . 2 . . . . 152 LYS HD2 . 11065 1 903 . 1 1 74 74 LYS HD3 H 1 1.731 0.020 . 2 . . . . 152 LYS HD3 . 11065 1 904 . 1 1 74 74 LYS HE2 H 1 3.012 0.020 . 2 . . . . 152 LYS HE2 . 11065 1 905 . 1 1 74 74 LYS HE3 H 1 3.012 0.020 . 2 . . . . 152 LYS HE3 . 11065 1 906 . 1 1 74 74 LYS HG2 H 1 1.531 0.020 . 2 . . . . 152 LYS HG2 . 11065 1 907 . 1 1 74 74 LYS HG3 H 1 1.531 0.020 . 2 . . . . 152 LYS HG3 . 11065 1 908 . 1 1 74 74 LYS C C 13 178.758 0.300 . 1 . . . . 152 LYS C . 11065 1 909 . 1 1 74 74 LYS CA C 13 58.521 0.300 . 1 . . . . 152 LYS CA . 11065 1 910 . 1 1 74 74 LYS CB C 13 31.372 0.300 . 1 . . . . 152 LYS CB . 11065 1 911 . 1 1 74 74 LYS CD C 13 28.236 0.300 . 1 . . . . 152 LYS CD . 11065 1 912 . 1 1 74 74 LYS CE C 13 41.950 0.300 . 1 . . . . 152 LYS CE . 11065 1 913 . 1 1 74 74 LYS CG C 13 24.379 0.300 . 1 . . . . 152 LYS CG . 11065 1 914 . 1 1 74 74 LYS N N 15 122.065 0.300 . 1 . . . . 152 LYS N . 11065 1 915 . 1 1 75 75 GLU H H 1 8.762 0.020 . 1 . . . . 153 GLU H . 11065 1 916 . 1 1 75 75 GLU HA H 1 4.098 0.020 . 1 . . . . 153 GLU HA . 11065 1 917 . 1 1 75 75 GLU HB2 H 1 2.150 0.020 . 2 . . . . 153 GLU HB2 . 11065 1 918 . 1 1 75 75 GLU HB3 H 1 1.986 0.020 . 2 . . . . 153 GLU HB3 . 11065 1 919 . 1 1 75 75 GLU HG2 H 1 2.335 0.020 . 2 . . . . 153 GLU HG2 . 11065 1 920 . 1 1 75 75 GLU HG3 H 1 2.415 0.020 . 2 . . . . 153 GLU HG3 . 11065 1 921 . 1 1 75 75 GLU C C 13 179.947 0.300 . 1 . . . . 153 GLU C . 11065 1 922 . 1 1 75 75 GLU CA C 13 60.405 0.300 . 1 . . . . 153 GLU CA . 11065 1 923 . 1 1 75 75 GLU CB C 13 28.999 0.300 . 1 . . . . 153 GLU CB . 11065 1 924 . 1 1 75 75 GLU CG C 13 36.926 0.300 . 1 . . . . 153 GLU CG . 11065 1 925 . 1 1 75 75 GLU N N 15 118.335 0.300 . 1 . . . . 153 GLU N . 11065 1 926 . 1 1 76 76 LEU H H 1 7.726 0.020 . 1 . . . . 154 LEU H . 11065 1 927 . 1 1 76 76 LEU HA H 1 4.061 0.020 . 1 . . . . 154 LEU HA . 11065 1 928 . 1 1 76 76 LEU HB2 H 1 1.685 0.020 . 2 . . . . 154 LEU HB2 . 11065 1 929 . 1 1 76 76 LEU HB3 H 1 1.978 0.020 . 2 . . . . 154 LEU HB3 . 11065 1 930 . 1 1 76 76 LEU HD11 H 1 0.342 0.020 . 2 . . . . 154 LEU HD1 . 11065 1 931 . 1 1 76 76 LEU HD12 H 1 0.342 0.020 . 2 . . . . 154 LEU HD1 . 11065 1 932 . 1 1 76 76 LEU HD13 H 1 0.342 0.020 . 2 . . . . 154 LEU HD1 . 11065 1 933 . 1 1 76 76 LEU HD21 H 1 0.712 0.020 . 2 . . . . 154 LEU HD2 . 11065 1 934 . 1 1 76 76 LEU HD22 H 1 0.712 0.020 . 2 . . . . 154 LEU HD2 . 11065 1 935 . 1 1 76 76 LEU HD23 H 1 0.712 0.020 . 2 . . . . 154 LEU HD2 . 11065 1 936 . 1 1 76 76 LEU HG H 1 1.249 0.020 . 1 . . . . 154 LEU HG . 11065 1 937 . 1 1 76 76 LEU C C 13 178.292 0.300 . 1 . . . . 154 LEU C . 11065 1 938 . 1 1 76 76 LEU CA C 13 58.188 0.300 . 1 . . . . 154 LEU CA . 11065 1 939 . 1 1 76 76 LEU CB C 13 41.061 0.300 . 1 . . . . 154 LEU CB . 11065 1 940 . 1 1 76 76 LEU CD1 C 13 23.448 0.300 . 1 . . . . 154 LEU CD1 . 11065 1 941 . 1 1 76 76 LEU CD2 C 13 26.986 0.300 . 1 . . . . 154 LEU CD2 . 11065 1 942 . 1 1 76 76 LEU CG C 13 27.332 0.300 . 1 . . . . 154 LEU CG . 11065 1 943 . 1 1 76 76 LEU N N 15 121.434 0.300 . 1 . . . . 154 LEU N . 11065 1 944 . 1 1 77 77 GLU H H 1 8.044 0.020 . 1 . . . . 155 GLU H . 11065 1 945 . 1 1 77 77 GLU HA H 1 3.394 0.020 . 1 . . . . 155 GLU HA . 11065 1 946 . 1 1 77 77 GLU HB2 H 1 2.283 0.020 . 2 . . . . 155 GLU HB2 . 11065 1 947 . 1 1 77 77 GLU HB3 H 1 1.733 0.020 . 2 . . . . 155 GLU HB3 . 11065 1 948 . 1 1 77 77 GLU HG2 H 1 2.595 0.020 . 2 . . . . 155 GLU HG2 . 11065 1 949 . 1 1 77 77 GLU HG3 H 1 1.791 0.020 . 2 . . . . 155 GLU HG3 . 11065 1 950 . 1 1 77 77 GLU C C 13 178.363 0.300 . 1 . . . . 155 GLU C . 11065 1 951 . 1 1 77 77 GLU CA C 13 60.409 0.300 . 1 . . . . 155 GLU CA . 11065 1 952 . 1 1 77 77 GLU CB C 13 28.697 0.300 . 1 . . . . 155 GLU CB . 11065 1 953 . 1 1 77 77 GLU CG C 13 36.983 0.300 . 1 . . . . 155 GLU CG . 11065 1 954 . 1 1 77 77 GLU N N 15 118.172 0.300 . 1 . . . . 155 GLU N . 11065 1 955 . 1 1 78 78 GLU H H 1 8.657 0.020 . 1 . . . . 156 GLU H . 11065 1 956 . 1 1 78 78 GLU HA H 1 3.945 0.020 . 1 . . . . 156 GLU HA . 11065 1 957 . 1 1 78 78 GLU HB2 H 1 2.231 0.020 . 2 . . . . 156 GLU HB2 . 11065 1 958 . 1 1 78 78 GLU HB3 H 1 2.085 0.020 . 2 . . . . 156 GLU HB3 . 11065 1 959 . 1 1 78 78 GLU HG2 H 1 2.459 0.020 . 2 . . . . 156 GLU HG2 . 11065 1 960 . 1 1 78 78 GLU HG3 H 1 2.239 0.020 . 2 . . . . 156 GLU HG3 . 11065 1 961 . 1 1 78 78 GLU C C 13 179.197 0.300 . 1 . . . . 156 GLU C . 11065 1 962 . 1 1 78 78 GLU CA C 13 59.869 0.300 . 1 . . . . 156 GLU CA . 11065 1 963 . 1 1 78 78 GLU CB C 13 29.466 0.300 . 1 . . . . 156 GLU CB . 11065 1 964 . 1 1 78 78 GLU CG C 13 36.632 0.300 . 1 . . . . 156 GLU CG . 11065 1 965 . 1 1 78 78 GLU N N 15 117.944 0.300 . 1 . . . . 156 GLU N . 11065 1 966 . 1 1 79 79 LYS H H 1 7.564 0.020 . 1 . . . . 157 LYS H . 11065 1 967 . 1 1 79 79 LYS HA H 1 4.245 0.020 . 1 . . . . 157 LYS HA . 11065 1 968 . 1 1 79 79 LYS HB2 H 1 1.946 0.020 . 2 . . . . 157 LYS HB2 . 11065 1 969 . 1 1 79 79 LYS HB3 H 1 1.946 0.020 . 2 . . . . 157 LYS HB3 . 11065 1 970 . 1 1 79 79 LYS HD2 H 1 1.842 0.020 . 2 . . . . 157 LYS HD2 . 11065 1 971 . 1 1 79 79 LYS HD3 H 1 1.721 0.020 . 2 . . . . 157 LYS HD3 . 11065 1 972 . 1 1 79 79 LYS HE2 H 1 2.831 0.020 . 2 . . . . 157 LYS HE2 . 11065 1 973 . 1 1 79 79 LYS HE3 H 1 3.012 0.020 . 2 . . . . 157 LYS HE3 . 11065 1 974 . 1 1 79 79 LYS HG2 H 1 1.541 0.020 . 2 . . . . 157 LYS HG2 . 11065 1 975 . 1 1 79 79 LYS HG3 H 1 1.378 0.020 . 2 . . . . 157 LYS HG3 . 11065 1 976 . 1 1 79 79 LYS C C 13 178.328 0.300 . 1 . . . . 157 LYS C . 11065 1 977 . 1 1 79 79 LYS CA C 13 57.557 0.300 . 1 . . . . 157 LYS CA . 11065 1 978 . 1 1 79 79 LYS CB C 13 30.969 0.300 . 1 . . . . 157 LYS CB . 11065 1 979 . 1 1 79 79 LYS CD C 13 27.573 0.300 . 1 . . . . 157 LYS CD . 11065 1 980 . 1 1 79 79 LYS CE C 13 41.821 0.300 . 1 . . . . 157 LYS CE . 11065 1 981 . 1 1 79 79 LYS CG C 13 24.714 0.300 . 1 . . . . 157 LYS CG . 11065 1 982 . 1 1 79 79 LYS N N 15 121.118 0.300 . 1 . . . . 157 LYS N . 11065 1 983 . 1 1 80 80 VAL H H 1 8.412 0.020 . 1 . . . . 158 VAL H . 11065 1 984 . 1 1 80 80 VAL HA H 1 3.314 0.020 . 1 . . . . 158 VAL HA . 11065 1 985 . 1 1 80 80 VAL HB H 1 2.099 0.020 . 1 . . . . 158 VAL HB . 11065 1 986 . 1 1 80 80 VAL HG11 H 1 0.495 0.020 . 2 . . . . 158 VAL HG1 . 11065 1 987 . 1 1 80 80 VAL HG12 H 1 0.495 0.020 . 2 . . . . 158 VAL HG1 . 11065 1 988 . 1 1 80 80 VAL HG13 H 1 0.495 0.020 . 2 . . . . 158 VAL HG1 . 11065 1 989 . 1 1 80 80 VAL HG21 H 1 1.005 0.020 . 2 . . . . 158 VAL HG2 . 11065 1 990 . 1 1 80 80 VAL HG22 H 1 1.005 0.020 . 2 . . . . 158 VAL HG2 . 11065 1 991 . 1 1 80 80 VAL HG23 H 1 1.005 0.020 . 2 . . . . 158 VAL HG2 . 11065 1 992 . 1 1 80 80 VAL C C 13 177.623 0.300 . 1 . . . . 158 VAL C . 11065 1 993 . 1 1 80 80 VAL CA C 13 67.250 0.300 . 1 . . . . 158 VAL CA . 11065 1 994 . 1 1 80 80 VAL CB C 13 30.867 0.300 . 1 . . . . 158 VAL CB . 11065 1 995 . 1 1 80 80 VAL CG1 C 13 21.789 0.300 . 1 . . . . 158 VAL CG1 . 11065 1 996 . 1 1 80 80 VAL CG2 C 13 23.750 0.300 . 1 . . . . 158 VAL CG2 . 11065 1 997 . 1 1 80 80 VAL N N 15 119.270 0.300 . 1 . . . . 158 VAL N . 11065 1 998 . 1 1 81 81 MET H H 1 8.212 0.020 . 1 . . . . 159 MET H . 11065 1 999 . 1 1 81 81 MET HA H 1 4.039 0.020 . 1 . . . . 159 MET HA . 11065 1 1000 . 1 1 81 81 MET HB2 H 1 2.199 0.020 . 2 . . . . 159 MET HB2 . 11065 1 1001 . 1 1 81 81 MET HB3 H 1 2.019 0.020 . 2 . . . . 159 MET HB3 . 11065 1 1002 . 1 1 81 81 MET HE1 H 1 2.129 0.020 . 1 . . . . 159 MET HE . 11065 1 1003 . 1 1 81 81 MET HE2 H 1 2.129 0.020 . 1 . . . . 159 MET HE . 11065 1 1004 . 1 1 81 81 MET HE3 H 1 2.129 0.020 . 1 . . . . 159 MET HE . 11065 1 1005 . 1 1 81 81 MET HG2 H 1 2.101 0.020 . 2 . . . . 159 MET HG2 . 11065 1 1006 . 1 1 81 81 MET HG3 H 1 2.716 0.020 . 2 . . . . 159 MET HG3 . 11065 1 1007 . 1 1 81 81 MET C C 13 177.305 0.300 . 1 . . . . 159 MET C . 11065 1 1008 . 1 1 81 81 MET CA C 13 59.998 0.300 . 1 . . . . 159 MET CA . 11065 1 1009 . 1 1 81 81 MET CB C 13 33.605 0.300 . 1 . . . . 159 MET CB . 11065 1 1010 . 1 1 81 81 MET CE C 13 16.969 0.300 . 1 . . . . 159 MET CE . 11065 1 1011 . 1 1 81 81 MET CG C 13 32.250 0.300 . 1 . . . . 159 MET CG . 11065 1 1012 . 1 1 81 81 MET N N 15 117.924 0.300 . 1 . . . . 159 MET N . 11065 1 1013 . 1 1 82 82 GLU H H 1 7.780 0.020 . 1 . . . . 160 GLU H . 11065 1 1014 . 1 1 82 82 GLU HA H 1 3.768 0.020 . 1 . . . . 160 GLU HA . 11065 1 1015 . 1 1 82 82 GLU HB2 H 1 2.153 0.020 . 2 . . . . 160 GLU HB2 . 11065 1 1016 . 1 1 82 82 GLU HB3 H 1 2.153 0.020 . 2 . . . . 160 GLU HB3 . 11065 1 1017 . 1 1 82 82 GLU HG2 H 1 2.316 0.020 . 2 . . . . 160 GLU HG2 . 11065 1 1018 . 1 1 82 82 GLU HG3 H 1 2.068 0.020 . 2 . . . . 160 GLU HG3 . 11065 1 1019 . 1 1 82 82 GLU C C 13 179.468 0.300 . 1 . . . . 160 GLU C . 11065 1 1020 . 1 1 82 82 GLU CA C 13 59.555 0.300 . 1 . . . . 160 GLU CA . 11065 1 1021 . 1 1 82 82 GLU CB C 13 29.831 0.300 . 1 . . . . 160 GLU CB . 11065 1 1022 . 1 1 82 82 GLU CG C 13 36.093 0.300 . 1 . . . . 160 GLU CG . 11065 1 1023 . 1 1 82 82 GLU N N 15 119.282 0.300 . 1 . . . . 160 GLU N . 11065 1 1024 . 1 1 83 83 LEU H H 1 7.748 0.020 . 1 . . . . 161 LEU H . 11065 1 1025 . 1 1 83 83 LEU HA H 1 3.756 0.020 . 1 . . . . 161 LEU HA . 11065 1 1026 . 1 1 83 83 LEU HB2 H 1 1.169 0.020 . 2 . . . . 161 LEU HB2 . 11065 1 1027 . 1 1 83 83 LEU HB3 H 1 1.770 0.020 . 2 . . . . 161 LEU HB3 . 11065 1 1028 . 1 1 83 83 LEU HD11 H 1 0.731 0.020 . 2 . . . . 161 LEU HD1 . 11065 1 1029 . 1 1 83 83 LEU HD12 H 1 0.731 0.020 . 2 . . . . 161 LEU HD1 . 11065 1 1030 . 1 1 83 83 LEU HD13 H 1 0.731 0.020 . 2 . . . . 161 LEU HD1 . 11065 1 1031 . 1 1 83 83 LEU HD21 H 1 0.777 0.020 . 2 . . . . 161 LEU HD2 . 11065 1 1032 . 1 1 83 83 LEU HD22 H 1 0.777 0.020 . 2 . . . . 161 LEU HD2 . 11065 1 1033 . 1 1 83 83 LEU HD23 H 1 0.777 0.020 . 2 . . . . 161 LEU HD2 . 11065 1 1034 . 1 1 83 83 LEU HG H 1 1.733 0.020 . 1 . . . . 161 LEU HG . 11065 1 1035 . 1 1 83 83 LEU C C 13 179.113 0.300 . 1 . . . . 161 LEU C . 11065 1 1036 . 1 1 83 83 LEU CA C 13 57.246 0.300 . 1 . . . . 161 LEU CA . 11065 1 1037 . 1 1 83 83 LEU CB C 13 41.824 0.300 . 1 . . . . 161 LEU CB . 11065 1 1038 . 1 1 83 83 LEU CD1 C 13 25.130 0.300 . 1 . . . . 161 LEU CD1 . 11065 1 1039 . 1 1 83 83 LEU CD2 C 13 22.076 0.300 . 1 . . . . 161 LEU CD2 . 11065 1 1040 . 1 1 83 83 LEU CG C 13 26.867 0.300 . 1 . . . . 161 LEU CG . 11065 1 1041 . 1 1 83 83 LEU N N 15 118.542 0.300 . 1 . . . . 161 LEU N . 11065 1 1042 . 1 1 84 84 HIS H H 1 8.842 0.020 . 1 . . . . 162 HIS H . 11065 1 1043 . 1 1 84 84 HIS HA H 1 3.986 0.020 . 1 . . . . 162 HIS HA . 11065 1 1044 . 1 1 84 84 HIS HB2 H 1 2.997 0.020 . 2 . . . . 162 HIS HB2 . 11065 1 1045 . 1 1 84 84 HIS HB3 H 1 3.268 0.020 . 2 . . . . 162 HIS HB3 . 11065 1 1046 . 1 1 84 84 HIS HD2 H 1 7.788 0.020 . 1 . . . . 162 HIS HD2 . 11065 1 1047 . 1 1 84 84 HIS C C 13 178.286 0.300 . 1 . . . . 162 HIS C . 11065 1 1048 . 1 1 84 84 HIS CA C 13 58.407 0.300 . 1 . . . . 162 HIS CA . 11065 1 1049 . 1 1 84 84 HIS CB C 13 32.405 0.300 . 1 . . . . 162 HIS CB . 11065 1 1050 . 1 1 84 84 HIS CD2 C 13 119.538 0.300 . 1 . . . . 162 HIS CD2 . 11065 1 1051 . 1 1 84 84 HIS N N 15 120.325 0.300 . 1 . . . . 162 HIS N . 11065 1 1052 . 1 1 85 85 LYS H H 1 7.951 0.020 . 1 . . . . 163 LYS H . 11065 1 1053 . 1 1 85 85 LYS HA H 1 3.383 0.020 . 1 . . . . 163 LYS HA . 11065 1 1054 . 1 1 85 85 LYS HB2 H 1 1.522 0.020 . 2 . . . . 163 LYS HB2 . 11065 1 1055 . 1 1 85 85 LYS HB3 H 1 1.547 0.020 . 2 . . . . 163 LYS HB3 . 11065 1 1056 . 1 1 85 85 LYS HD2 H 1 1.299 0.020 . 2 . . . . 163 LYS HD2 . 11065 1 1057 . 1 1 85 85 LYS HD3 H 1 1.299 0.020 . 2 . . . . 163 LYS HD3 . 11065 1 1058 . 1 1 85 85 LYS HE2 H 1 2.361 0.020 . 2 . . . . 163 LYS HE2 . 11065 1 1059 . 1 1 85 85 LYS HE3 H 1 2.541 0.020 . 2 . . . . 163 LYS HE3 . 11065 1 1060 . 1 1 85 85 LYS HG2 H 1 1.262 0.020 . 2 . . . . 163 LYS HG2 . 11065 1 1061 . 1 1 85 85 LYS HG3 H 1 0.512 0.020 . 2 . . . . 163 LYS HG3 . 11065 1 1062 . 1 1 85 85 LYS C C 13 177.303 0.300 . 1 . . . . 163 LYS C . 11065 1 1063 . 1 1 85 85 LYS CA C 13 59.730 0.300 . 1 . . . . 163 LYS CA . 11065 1 1064 . 1 1 85 85 LYS CB C 13 32.489 0.300 . 1 . . . . 163 LYS CB . 11065 1 1065 . 1 1 85 85 LYS CD C 13 29.721 0.300 . 1 . . . . 163 LYS CD . 11065 1 1066 . 1 1 85 85 LYS CE C 13 41.772 0.300 . 1 . . . . 163 LYS CE . 11065 1 1067 . 1 1 85 85 LYS CG C 13 25.123 0.300 . 1 . . . . 163 LYS CG . 11065 1 1068 . 1 1 85 85 LYS N N 15 116.598 0.300 . 1 . . . . 163 LYS N . 11065 1 1069 . 1 1 86 86 SER H H 1 7.334 0.020 . 1 . . . . 164 SER H . 11065 1 1070 . 1 1 86 86 SER HA H 1 4.442 0.020 . 1 . . . . 164 SER HA . 11065 1 1071 . 1 1 86 86 SER HB2 H 1 3.818 0.020 . 2 . . . . 164 SER HB2 . 11065 1 1072 . 1 1 86 86 SER HB3 H 1 4.069 0.020 . 2 . . . . 164 SER HB3 . 11065 1 1073 . 1 1 86 86 SER C C 13 175.296 0.300 . 1 . . . . 164 SER C . 11065 1 1074 . 1 1 86 86 SER CA C 13 59.708 0.300 . 1 . . . . 164 SER CA . 11065 1 1075 . 1 1 86 86 SER CB C 13 64.669 0.300 . 1 . . . . 164 SER CB . 11065 1 1076 . 1 1 86 86 SER N N 15 113.922 0.300 . 1 . . . . 164 SER N . 11065 1 1077 . 1 1 87 87 TYR H H 1 7.321 0.020 . 1 . . . . 165 TYR H . 11065 1 1078 . 1 1 87 87 TYR HA H 1 5.037 0.020 . 1 . . . . 165 TYR HA . 11065 1 1079 . 1 1 87 87 TYR HB2 H 1 3.492 0.020 . 2 . . . . 165 TYR HB2 . 11065 1 1080 . 1 1 87 87 TYR HB3 H 1 3.206 0.020 . 2 . . . . 165 TYR HB3 . 11065 1 1081 . 1 1 87 87 TYR HD1 H 1 6.916 0.020 . 1 . . . . 165 TYR HD1 . 11065 1 1082 . 1 1 87 87 TYR HD2 H 1 6.916 0.020 . 1 . . . . 165 TYR HD2 . 11065 1 1083 . 1 1 87 87 TYR HE1 H 1 6.236 0.020 . 1 . . . . 165 TYR HE1 . 11065 1 1084 . 1 1 87 87 TYR HE2 H 1 6.236 0.020 . 1 . . . . 165 TYR HE2 . 11065 1 1085 . 1 1 87 87 TYR C C 13 175.143 0.300 . 1 . . . . 165 TYR C . 11065 1 1086 . 1 1 87 87 TYR CA C 13 54.570 0.300 . 1 . . . . 165 TYR CA . 11065 1 1087 . 1 1 87 87 TYR CB C 13 36.575 0.300 . 1 . . . . 165 TYR CB . 11065 1 1088 . 1 1 87 87 TYR CD1 C 13 131.155 0.300 . 1 . . . . 165 TYR CD1 . 11065 1 1089 . 1 1 87 87 TYR CD2 C 13 131.155 0.300 . 1 . . . . 165 TYR CD2 . 11065 1 1090 . 1 1 87 87 TYR CE1 C 13 116.871 0.300 . 1 . . . . 165 TYR CE1 . 11065 1 1091 . 1 1 87 87 TYR CE2 C 13 116.871 0.300 . 1 . . . . 165 TYR CE2 . 11065 1 1092 . 1 1 87 87 TYR N N 15 123.163 0.300 . 1 . . . . 165 TYR N . 11065 1 1093 . 1 1 88 88 ARG H H 1 7.263 0.020 . 1 . . . . 166 ARG H . 11065 1 1094 . 1 1 88 88 ARG HA H 1 4.264 0.020 . 1 . . . . 166 ARG HA . 11065 1 1095 . 1 1 88 88 ARG HB2 H 1 1.828 0.020 . 2 . . . . 166 ARG HB2 . 11065 1 1096 . 1 1 88 88 ARG HB3 H 1 1.828 0.020 . 2 . . . . 166 ARG HB3 . 11065 1 1097 . 1 1 88 88 ARG HD2 H 1 3.319 0.020 . 2 . . . . 166 ARG HD2 . 11065 1 1098 . 1 1 88 88 ARG HD3 H 1 3.319 0.020 . 2 . . . . 166 ARG HD3 . 11065 1 1099 . 1 1 88 88 ARG HE H 1 7.279 0.020 . 1 . . . . 166 ARG HE . 11065 1 1100 . 1 1 88 88 ARG HG2 H 1 1.713 0.020 . 2 . . . . 166 ARG HG2 . 11065 1 1101 . 1 1 88 88 ARG HG3 H 1 1.713 0.020 . 2 . . . . 166 ARG HG3 . 11065 1 1102 . 1 1 88 88 ARG C C 13 177.455 0.300 . 1 . . . . 166 ARG C . 11065 1 1103 . 1 1 88 88 ARG CA C 13 58.086 0.300 . 1 . . . . 166 ARG CA . 11065 1 1104 . 1 1 88 88 ARG CB C 13 30.702 0.300 . 1 . . . . 166 ARG CB . 11065 1 1105 . 1 1 88 88 ARG CD C 13 43.421 0.300 . 1 . . . . 166 ARG CD . 11065 1 1106 . 1 1 88 88 ARG CG C 13 27.392 0.300 . 1 . . . . 166 ARG CG . 11065 1 1107 . 1 1 88 88 ARG N N 15 119.334 0.300 . 1 . . . . 166 ARG N . 11065 1 1108 . 1 1 89 89 SER H H 1 10.206 0.020 . 1 . . . . 167 SER H . 11065 1 1109 . 1 1 89 89 SER HA H 1 4.265 0.020 . 1 . . . . 167 SER HA . 11065 1 1110 . 1 1 89 89 SER HB2 H 1 4.140 0.020 . 2 . . . . 167 SER HB2 . 11065 1 1111 . 1 1 89 89 SER HB3 H 1 4.140 0.020 . 2 . . . . 167 SER HB3 . 11065 1 1112 . 1 1 89 89 SER C C 13 174.371 0.300 . 1 . . . . 167 SER C . 11065 1 1113 . 1 1 89 89 SER CA C 13 60.818 0.300 . 1 . . . . 167 SER CA . 11065 1 1114 . 1 1 89 89 SER CB C 13 62.576 0.300 . 1 . . . . 167 SER CB . 11065 1 1115 . 1 1 89 89 SER N N 15 121.486 0.300 . 1 . . . . 167 SER N . 11065 1 1116 . 1 1 90 90 MET H H 1 8.409 0.020 . 1 . . . . 168 MET H . 11065 1 1117 . 1 1 90 90 MET HA H 1 4.531 0.020 . 1 . . . . 168 MET HA . 11065 1 1118 . 1 1 90 90 MET HB2 H 1 2.320 0.020 . 2 . . . . 168 MET HB2 . 11065 1 1119 . 1 1 90 90 MET HB3 H 1 2.071 0.020 . 2 . . . . 168 MET HB3 . 11065 1 1120 . 1 1 90 90 MET HE1 H 1 1.798 0.020 . 1 . . . . 168 MET HE . 11065 1 1121 . 1 1 90 90 MET HE2 H 1 1.798 0.020 . 1 . . . . 168 MET HE . 11065 1 1122 . 1 1 90 90 MET HE3 H 1 1.798 0.020 . 1 . . . . 168 MET HE . 11065 1 1123 . 1 1 90 90 MET HG2 H 1 2.468 0.020 . 2 . . . . 168 MET HG2 . 11065 1 1124 . 1 1 90 90 MET HG3 H 1 2.579 0.020 . 2 . . . . 168 MET HG3 . 11065 1 1125 . 1 1 90 90 MET C C 13 177.396 0.300 . 1 . . . . 168 MET C . 11065 1 1126 . 1 1 90 90 MET CA C 13 56.283 0.300 . 1 . . . . 168 MET CA . 11065 1 1127 . 1 1 90 90 MET CB C 13 35.048 0.300 . 1 . . . . 168 MET CB . 11065 1 1128 . 1 1 90 90 MET CE C 13 16.457 0.300 . 1 . . . . 168 MET CE . 11065 1 1129 . 1 1 90 90 MET CG C 13 31.277 0.300 . 1 . . . . 168 MET CG . 11065 1 1130 . 1 1 90 90 MET N N 15 124.849 0.300 . 1 . . . . 168 MET N . 11065 1 1131 . 1 1 91 91 THR H H 1 8.981 0.020 . 1 . . . . 169 THR H . 11065 1 1132 . 1 1 91 91 THR HA H 1 4.589 0.020 . 1 . . . . 169 THR HA . 11065 1 1133 . 1 1 91 91 THR HB H 1 4.769 0.020 . 1 . . . . 169 THR HB . 11065 1 1134 . 1 1 91 91 THR HG21 H 1 1.421 0.020 . 1 . . . . 169 THR HG2 . 11065 1 1135 . 1 1 91 91 THR HG22 H 1 1.421 0.020 . 1 . . . . 169 THR HG2 . 11065 1 1136 . 1 1 91 91 THR HG23 H 1 1.421 0.020 . 1 . . . . 169 THR HG2 . 11065 1 1137 . 1 1 91 91 THR C C 13 173.532 0.300 . 1 . . . . 169 THR C . 11065 1 1138 . 1 1 91 91 THR CA C 13 61.052 0.300 . 1 . . . . 169 THR CA . 11065 1 1139 . 1 1 91 91 THR CB C 13 68.249 0.300 . 1 . . . . 169 THR CB . 11065 1 1140 . 1 1 91 91 THR CG2 C 13 22.122 0.300 . 1 . . . . 169 THR CG2 . 11065 1 1141 . 1 1 91 91 THR N N 15 122.910 0.300 . 1 . . . . 169 THR N . 11065 1 1142 . 1 1 92 92 PRO HA H 1 4.151 0.020 . 1 . . . . 170 PRO HA . 11065 1 1143 . 1 1 92 92 PRO HB2 H 1 2.815 0.020 . 2 . . . . 170 PRO HB2 . 11065 1 1144 . 1 1 92 92 PRO HB3 H 1 2.815 0.020 . 2 . . . . 170 PRO HB3 . 11065 1 1145 . 1 1 92 92 PRO HG2 H 1 2.210 0.020 . 2 . . . . 170 PRO HG2 . 11065 1 1146 . 1 1 92 92 PRO HG3 H 1 1.948 0.020 . 2 . . . . 170 PRO HG3 . 11065 1 1147 . 1 1 92 92 PRO C C 13 177.481 0.300 . 1 . . . . 170 PRO C . 11065 1 1148 . 1 1 92 92 PRO CA C 13 66.599 0.300 . 1 . . . . 170 PRO CA . 11065 1 1149 . 1 1 92 92 PRO CB C 13 31.740 0.300 . 1 . . . . 170 PRO CB . 11065 1 1150 . 1 1 92 92 PRO CG C 13 28.096 0.300 . 1 . . . . 170 PRO CG . 11065 1 1151 . 1 1 93 93 ALA H H 1 7.833 0.020 . 1 . . . . 171 ALA H . 11065 1 1152 . 1 1 93 93 ALA HA H 1 4.135 0.020 . 1 . . . . 171 ALA HA . 11065 1 1153 . 1 1 93 93 ALA HB1 H 1 1.375 0.020 . 1 . . . . 171 ALA HB . 11065 1 1154 . 1 1 93 93 ALA HB2 H 1 1.375 0.020 . 1 . . . . 171 ALA HB . 11065 1 1155 . 1 1 93 93 ALA HB3 H 1 1.375 0.020 . 1 . . . . 171 ALA HB . 11065 1 1156 . 1 1 93 93 ALA C C 13 180.982 0.300 . 1 . . . . 171 ALA C . 11065 1 1157 . 1 1 93 93 ALA CA C 13 54.982 0.300 . 1 . . . . 171 ALA CA . 11065 1 1158 . 1 1 93 93 ALA CB C 13 18.373 0.300 . 1 . . . . 171 ALA CB . 11065 1 1159 . 1 1 93 93 ALA N N 15 115.945 0.300 . 1 . . . . 171 ALA N . 11065 1 1160 . 1 1 94 94 GLN H H 1 7.868 0.020 . 1 . . . . 172 GLN H . 11065 1 1161 . 1 1 94 94 GLN HA H 1 3.911 0.020 . 1 . . . . 172 GLN HA . 11065 1 1162 . 1 1 94 94 GLN HB2 H 1 1.995 0.020 . 2 . . . . 172 GLN HB2 . 11065 1 1163 . 1 1 94 94 GLN HB3 H 1 2.337 0.020 . 2 . . . . 172 GLN HB3 . 11065 1 1164 . 1 1 94 94 GLN HE21 H 1 6.832 0.020 . 2 . . . . 172 GLN HE21 . 11065 1 1165 . 1 1 94 94 GLN HE22 H 1 7.849 0.020 . 2 . . . . 172 GLN HE22 . 11065 1 1166 . 1 1 94 94 GLN HG2 H 1 2.459 0.020 . 2 . . . . 172 GLN HG2 . 11065 1 1167 . 1 1 94 94 GLN HG3 H 1 2.459 0.020 . 2 . . . . 172 GLN HG3 . 11065 1 1168 . 1 1 94 94 GLN C C 13 178.279 0.300 . 1 . . . . 172 GLN C . 11065 1 1169 . 1 1 94 94 GLN CA C 13 58.547 0.300 . 1 . . . . 172 GLN CA . 11065 1 1170 . 1 1 94 94 GLN CB C 13 28.318 0.300 . 1 . . . . 172 GLN CB . 11065 1 1171 . 1 1 94 94 GLN CG C 13 33.704 0.300 . 1 . . . . 172 GLN CG . 11065 1 1172 . 1 1 94 94 GLN N N 15 118.910 0.300 . 1 . . . . 172 GLN N . 11065 1 1173 . 1 1 94 94 GLN NE2 N 15 112.382 0.300 . 1 . . . . 172 GLN NE2 . 11065 1 1174 . 1 1 95 95 ALA H H 1 8.459 0.020 . 1 . . . . 173 ALA H . 11065 1 1175 . 1 1 95 95 ALA HA H 1 4.066 0.020 . 1 . . . . 173 ALA HA . 11065 1 1176 . 1 1 95 95 ALA HB1 H 1 1.569 0.020 . 1 . . . . 173 ALA HB . 11065 1 1177 . 1 1 95 95 ALA HB2 H 1 1.569 0.020 . 1 . . . . 173 ALA HB . 11065 1 1178 . 1 1 95 95 ALA HB3 H 1 1.569 0.020 . 1 . . . . 173 ALA HB . 11065 1 1179 . 1 1 95 95 ALA C C 13 179.362 0.300 . 1 . . . . 173 ALA C . 11065 1 1180 . 1 1 95 95 ALA CA C 13 55.413 0.300 . 1 . . . . 173 ALA CA . 11065 1 1181 . 1 1 95 95 ALA CB C 13 17.730 0.300 . 1 . . . . 173 ALA CB . 11065 1 1182 . 1 1 95 95 ALA N N 15 123.672 0.300 . 1 . . . . 173 ALA N . 11065 1 1183 . 1 1 96 96 ASP H H 1 8.541 0.020 . 1 . . . . 174 ASP H . 11065 1 1184 . 1 1 96 96 ASP HA H 1 4.317 0.020 . 1 . . . . 174 ASP HA . 11065 1 1185 . 1 1 96 96 ASP HB2 H 1 2.547 0.020 . 2 . . . . 174 ASP HB2 . 11065 1 1186 . 1 1 96 96 ASP HB3 H 1 2.803 0.020 . 2 . . . . 174 ASP HB3 . 11065 1 1187 . 1 1 96 96 ASP C C 13 178.340 0.300 . 1 . . . . 174 ASP C . 11065 1 1188 . 1 1 96 96 ASP CA C 13 57.230 0.300 . 1 . . . . 174 ASP CA . 11065 1 1189 . 1 1 96 96 ASP CB C 13 40.024 0.300 . 1 . . . . 174 ASP CB . 11065 1 1190 . 1 1 96 96 ASP N N 15 119.397 0.300 . 1 . . . . 174 ASP N . 11065 1 1191 . 1 1 97 97 LEU H H 1 7.798 0.020 . 1 . . . . 175 LEU H . 11065 1 1192 . 1 1 97 97 LEU HA H 1 3.968 0.020 . 1 . . . . 175 LEU HA . 11065 1 1193 . 1 1 97 97 LEU HB2 H 1 1.773 0.020 . 2 . . . . 175 LEU HB2 . 11065 1 1194 . 1 1 97 97 LEU HB3 H 1 1.668 0.020 . 2 . . . . 175 LEU HB3 . 11065 1 1195 . 1 1 97 97 LEU HD11 H 1 0.852 0.020 . 2 . . . . 175 LEU HD1 . 11065 1 1196 . 1 1 97 97 LEU HD12 H 1 0.852 0.020 . 2 . . . . 175 LEU HD1 . 11065 1 1197 . 1 1 97 97 LEU HD13 H 1 0.852 0.020 . 2 . . . . 175 LEU HD1 . 11065 1 1198 . 1 1 97 97 LEU HD21 H 1 0.846 0.020 . 2 . . . . 175 LEU HD2 . 11065 1 1199 . 1 1 97 97 LEU HD22 H 1 0.846 0.020 . 2 . . . . 175 LEU HD2 . 11065 1 1200 . 1 1 97 97 LEU HD23 H 1 0.846 0.020 . 2 . . . . 175 LEU HD2 . 11065 1 1201 . 1 1 97 97 LEU HG H 1 1.637 0.020 . 1 . . . . 175 LEU HG . 11065 1 1202 . 1 1 97 97 LEU C C 13 179.822 0.300 . 1 . . . . 175 LEU C . 11065 1 1203 . 1 1 97 97 LEU CA C 13 58.737 0.300 . 1 . . . . 175 LEU CA . 11065 1 1204 . 1 1 97 97 LEU CB C 13 41.661 0.300 . 1 . . . . 175 LEU CB . 11065 1 1205 . 1 1 97 97 LEU CD1 C 13 24.752 0.300 . 1 . . . . 175 LEU CD1 . 11065 1 1206 . 1 1 97 97 LEU CD2 C 13 24.268 0.300 . 1 . . . . 175 LEU CD2 . 11065 1 1207 . 1 1 97 97 LEU CG C 13 27.024 0.300 . 1 . . . . 175 LEU CG . 11065 1 1208 . 1 1 97 97 LEU N N 15 120.724 0.300 . 1 . . . . 175 LEU N . 11065 1 1209 . 1 1 98 98 GLU H H 1 8.172 0.020 . 1 . . . . 176 GLU H . 11065 1 1210 . 1 1 98 98 GLU HA H 1 3.885 0.020 . 1 . . . . 176 GLU HA . 11065 1 1211 . 1 1 98 98 GLU HB2 H 1 0.989 0.020 . 2 . . . . 176 GLU HB2 . 11065 1 1212 . 1 1 98 98 GLU HB3 H 1 0.989 0.020 . 2 . . . . 176 GLU HB3 . 11065 1 1213 . 1 1 98 98 GLU HG2 H 1 1.955 0.020 . 2 . . . . 176 GLU HG2 . 11065 1 1214 . 1 1 98 98 GLU HG3 H 1 2.148 0.020 . 2 . . . . 176 GLU HG3 . 11065 1 1215 . 1 1 98 98 GLU C C 13 180.447 0.300 . 1 . . . . 176 GLU C . 11065 1 1216 . 1 1 98 98 GLU CA C 13 58.870 0.300 . 1 . . . . 176 GLU CA . 11065 1 1217 . 1 1 98 98 GLU CB C 13 27.413 0.300 . 1 . . . . 176 GLU CB . 11065 1 1218 . 1 1 98 98 GLU CG C 13 35.450 0.300 . 1 . . . . 176 GLU CG . 11065 1 1219 . 1 1 98 98 GLU N N 15 119.724 0.300 . 1 . . . . 176 GLU N . 11065 1 1220 . 1 1 99 99 PHE H H 1 8.542 0.020 . 1 . . . . 177 PHE H . 11065 1 1221 . 1 1 99 99 PHE HA H 1 3.819 0.020 . 1 . . . . 177 PHE HA . 11065 1 1222 . 1 1 99 99 PHE HB2 H 1 3.080 0.020 . 2 . . . . 177 PHE HB2 . 11065 1 1223 . 1 1 99 99 PHE HB3 H 1 3.803 0.020 . 2 . . . . 177 PHE HB3 . 11065 1 1224 . 1 1 99 99 PHE HD1 H 1 7.408 0.020 . 1 . . . . 177 PHE HD1 . 11065 1 1225 . 1 1 99 99 PHE HD2 H 1 7.408 0.020 . 1 . . . . 177 PHE HD2 . 11065 1 1226 . 1 1 99 99 PHE HE1 H 1 6.947 0.020 . 1 . . . . 177 PHE HE1 . 11065 1 1227 . 1 1 99 99 PHE HE2 H 1 6.947 0.020 . 1 . . . . 177 PHE HE2 . 11065 1 1228 . 1 1 99 99 PHE HZ H 1 7.375 0.020 . 1 . . . . 177 PHE HZ . 11065 1 1229 . 1 1 99 99 PHE C C 13 176.805 0.300 . 1 . . . . 177 PHE C . 11065 1 1230 . 1 1 99 99 PHE CA C 13 62.277 0.300 . 1 . . . . 177 PHE CA . 11065 1 1231 . 1 1 99 99 PHE CB C 13 38.948 0.300 . 1 . . . . 177 PHE CB . 11065 1 1232 . 1 1 99 99 PHE CD1 C 13 132.240 0.300 . 1 . . . . 177 PHE CD1 . 11065 1 1233 . 1 1 99 99 PHE CD2 C 13 132.240 0.300 . 1 . . . . 177 PHE CD2 . 11065 1 1234 . 1 1 99 99 PHE CE1 C 13 129.632 0.300 . 1 . . . . 177 PHE CE1 . 11065 1 1235 . 1 1 99 99 PHE CE2 C 13 129.632 0.300 . 1 . . . . 177 PHE CE2 . 11065 1 1236 . 1 1 99 99 PHE CZ C 13 131.777 0.300 . 1 . . . . 177 PHE CZ . 11065 1 1237 . 1 1 99 99 PHE N N 15 123.837 0.300 . 1 . . . . 177 PHE N . 11065 1 1238 . 1 1 100 100 LEU H H 1 8.532 0.020 . 1 . . . . 178 LEU H . 11065 1 1239 . 1 1 100 100 LEU HA H 1 4.028 0.020 . 1 . . . . 178 LEU HA . 11065 1 1240 . 1 1 100 100 LEU HB2 H 1 2.007 0.020 . 2 . . . . 178 LEU HB2 . 11065 1 1241 . 1 1 100 100 LEU HB3 H 1 1.661 0.020 . 2 . . . . 178 LEU HB3 . 11065 1 1242 . 1 1 100 100 LEU HD11 H 1 0.881 0.020 . 2 . . . . 178 LEU HD1 . 11065 1 1243 . 1 1 100 100 LEU HD12 H 1 0.881 0.020 . 2 . . . . 178 LEU HD1 . 11065 1 1244 . 1 1 100 100 LEU HD13 H 1 0.881 0.020 . 2 . . . . 178 LEU HD1 . 11065 1 1245 . 1 1 100 100 LEU HD21 H 1 0.795 0.020 . 2 . . . . 178 LEU HD2 . 11065 1 1246 . 1 1 100 100 LEU HD22 H 1 0.795 0.020 . 2 . . . . 178 LEU HD2 . 11065 1 1247 . 1 1 100 100 LEU HD23 H 1 0.795 0.020 . 2 . . . . 178 LEU HD2 . 11065 1 1248 . 1 1 100 100 LEU HG H 1 2.077 0.020 . 1 . . . . 178 LEU HG . 11065 1 1249 . 1 1 100 100 LEU C C 13 179.884 0.300 . 1 . . . . 178 LEU C . 11065 1 1250 . 1 1 100 100 LEU CA C 13 58.046 0.300 . 1 . . . . 178 LEU CA . 11065 1 1251 . 1 1 100 100 LEU CB C 13 41.419 0.300 . 1 . . . . 178 LEU CB . 11065 1 1252 . 1 1 100 100 LEU CD1 C 13 25.736 0.300 . 1 . . . . 178 LEU CD1 . 11065 1 1253 . 1 1 100 100 LEU CD2 C 13 23.392 0.300 . 1 . . . . 178 LEU CD2 . 11065 1 1254 . 1 1 100 100 LEU CG C 13 26.633 0.300 . 1 . . . . 178 LEU CG . 11065 1 1255 . 1 1 100 100 LEU N N 15 119.496 0.300 . 1 . . . . 178 LEU N . 11065 1 1256 . 1 1 101 101 GLU H H 1 8.769 0.020 . 1 . . . . 179 GLU H . 11065 1 1257 . 1 1 101 101 GLU HA H 1 4.043 0.020 . 1 . . . . 179 GLU HA . 11065 1 1258 . 1 1 101 101 GLU HB2 H 1 1.941 0.020 . 2 . . . . 179 GLU HB2 . 11065 1 1259 . 1 1 101 101 GLU HB3 H 1 2.077 0.020 . 2 . . . . 179 GLU HB3 . 11065 1 1260 . 1 1 101 101 GLU HG2 H 1 2.256 0.020 . 2 . . . . 179 GLU HG2 . 11065 1 1261 . 1 1 101 101 GLU HG3 H 1 2.256 0.020 . 2 . . . . 179 GLU HG3 . 11065 1 1262 . 1 1 101 101 GLU C C 13 179.881 0.300 . 1 . . . . 179 GLU C . 11065 1 1263 . 1 1 101 101 GLU CA C 13 59.465 0.300 . 1 . . . . 179 GLU CA . 11065 1 1264 . 1 1 101 101 GLU CB C 13 29.478 0.300 . 1 . . . . 179 GLU CB . 11065 1 1265 . 1 1 101 101 GLU CG C 13 36.265 0.300 . 1 . . . . 179 GLU CG . 11065 1 1266 . 1 1 101 101 GLU N N 15 120.825 0.300 . 1 . . . . 179 GLU N . 11065 1 1267 . 1 1 102 102 ASN H H 1 7.865 0.020 . 1 . . . . 180 ASN H . 11065 1 1268 . 1 1 102 102 ASN HA H 1 4.329 0.020 . 1 . . . . 180 ASN HA . 11065 1 1269 . 1 1 102 102 ASN HB2 H 1 2.724 0.020 . 2 . . . . 180 ASN HB2 . 11065 1 1270 . 1 1 102 102 ASN HB3 H 1 2.249 0.020 . 2 . . . . 180 ASN HB3 . 11065 1 1271 . 1 1 102 102 ASN HD21 H 1 7.499 0.020 . 2 . . . . 180 ASN HD21 . 11065 1 1272 . 1 1 102 102 ASN HD22 H 1 7.757 0.020 . 2 . . . . 180 ASN HD22 . 11065 1 1273 . 1 1 102 102 ASN C C 13 176.692 0.300 . 1 . . . . 180 ASN C . 11065 1 1274 . 1 1 102 102 ASN CA C 13 57.537 0.300 . 1 . . . . 180 ASN CA . 11065 1 1275 . 1 1 102 102 ASN CB C 13 40.085 0.300 . 1 . . . . 180 ASN CB . 11065 1 1276 . 1 1 102 102 ASN N N 15 116.591 0.300 . 1 . . . . 180 ASN N . 11065 1 1277 . 1 1 102 102 ASN ND2 N 15 117.152 0.300 . 1 . . . . 180 ASN ND2 . 11065 1 1278 . 1 1 103 103 ALA H H 1 8.744 0.020 . 1 . . . . 181 ALA H . 11065 1 1279 . 1 1 103 103 ALA HA H 1 4.130 0.020 . 1 . . . . 181 ALA HA . 11065 1 1280 . 1 1 103 103 ALA HB1 H 1 1.324 0.020 . 1 . . . . 181 ALA HB . 11065 1 1281 . 1 1 103 103 ALA HB2 H 1 1.324 0.020 . 1 . . . . 181 ALA HB . 11065 1 1282 . 1 1 103 103 ALA HB3 H 1 1.324 0.020 . 1 . . . . 181 ALA HB . 11065 1 1283 . 1 1 103 103 ALA C C 13 179.546 0.300 . 1 . . . . 181 ALA C . 11065 1 1284 . 1 1 103 103 ALA CA C 13 55.148 0.300 . 1 . . . . 181 ALA CA . 11065 1 1285 . 1 1 103 103 ALA CB C 13 18.154 0.300 . 1 . . . . 181 ALA CB . 11065 1 1286 . 1 1 103 103 ALA N N 15 122.431 0.300 . 1 . . . . 181 ALA N . 11065 1 1287 . 1 1 104 104 LYS H H 1 8.493 0.020 . 1 . . . . 182 LYS H . 11065 1 1288 . 1 1 104 104 LYS HA H 1 3.786 0.020 . 1 . . . . 182 LYS HA . 11065 1 1289 . 1 1 104 104 LYS HB2 H 1 1.838 0.020 . 2 . . . . 182 LYS HB2 . 11065 1 1290 . 1 1 104 104 LYS HB3 H 1 1.937 0.020 . 2 . . . . 182 LYS HB3 . 11065 1 1291 . 1 1 104 104 LYS HD2 H 1 1.370 0.020 . 2 . . . . 182 LYS HD2 . 11065 1 1292 . 1 1 104 104 LYS HD3 H 1 1.410 0.020 . 2 . . . . 182 LYS HD3 . 11065 1 1293 . 1 1 104 104 LYS HE2 H 1 2.624 0.020 . 2 . . . . 182 LYS HE2 . 11065 1 1294 . 1 1 104 104 LYS HE3 H 1 2.739 0.020 . 2 . . . . 182 LYS HE3 . 11065 1 1295 . 1 1 104 104 LYS HG2 H 1 1.259 0.020 . 2 . . . . 182 LYS HG2 . 11065 1 1296 . 1 1 104 104 LYS HG3 H 1 1.398 0.020 . 2 . . . . 182 LYS HG3 . 11065 1 1297 . 1 1 104 104 LYS C C 13 180.012 0.300 . 1 . . . . 182 LYS C . 11065 1 1298 . 1 1 104 104 LYS CA C 13 58.547 0.300 . 1 . . . . 182 LYS CA . 11065 1 1299 . 1 1 104 104 LYS CB C 13 31.194 0.300 . 1 . . . . 182 LYS CB . 11065 1 1300 . 1 1 104 104 LYS CD C 13 28.127 0.300 . 1 . . . . 182 LYS CD . 11065 1 1301 . 1 1 104 104 LYS CE C 13 41.694 0.300 . 1 . . . . 182 LYS CE . 11065 1 1302 . 1 1 104 104 LYS CG C 13 24.040 0.300 . 1 . . . . 182 LYS CG . 11065 1 1303 . 1 1 104 104 LYS N N 15 119.195 0.300 . 1 . . . . 182 LYS N . 11065 1 1304 . 1 1 105 105 LYS H H 1 7.661 0.020 . 1 . . . . 183 LYS H . 11065 1 1305 . 1 1 105 105 LYS HA H 1 4.111 0.020 . 1 . . . . 183 LYS HA . 11065 1 1306 . 1 1 105 105 LYS HB2 H 1 1.970 0.020 . 2 . . . . 183 LYS HB2 . 11065 1 1307 . 1 1 105 105 LYS HB3 H 1 1.970 0.020 . 2 . . . . 183 LYS HB3 . 11065 1 1308 . 1 1 105 105 LYS HD2 H 1 1.675 0.020 . 2 . . . . 183 LYS HD2 . 11065 1 1309 . 1 1 105 105 LYS HD3 H 1 1.675 0.020 . 2 . . . . 183 LYS HD3 . 11065 1 1310 . 1 1 105 105 LYS HE2 H 1 2.944 0.020 . 2 . . . . 183 LYS HE2 . 11065 1 1311 . 1 1 105 105 LYS HE3 H 1 2.944 0.020 . 2 . . . . 183 LYS HE3 . 11065 1 1312 . 1 1 105 105 LYS HG2 H 1 1.653 0.020 . 2 . . . . 183 LYS HG2 . 11065 1 1313 . 1 1 105 105 LYS HG3 H 1 1.506 0.020 . 2 . . . . 183 LYS HG3 . 11065 1 1314 . 1 1 105 105 LYS C C 13 178.010 0.300 . 1 . . . . 183 LYS C . 11065 1 1315 . 1 1 105 105 LYS CA C 13 58.823 0.300 . 1 . . . . 183 LYS CA . 11065 1 1316 . 1 1 105 105 LYS CB C 13 32.287 0.300 . 1 . . . . 183 LYS CB . 11065 1 1317 . 1 1 105 105 LYS CD C 13 29.434 0.300 . 1 . . . . 183 LYS CD . 11065 1 1318 . 1 1 105 105 LYS CE C 13 41.946 0.300 . 1 . . . . 183 LYS CE . 11065 1 1319 . 1 1 105 105 LYS CG C 13 25.380 0.300 . 1 . . . . 183 LYS CG . 11065 1 1320 . 1 1 105 105 LYS N N 15 120.301 0.300 . 1 . . . . 183 LYS N . 11065 1 1321 . 1 1 106 106 LEU H H 1 7.403 0.020 . 1 . . . . 184 LEU H . 11065 1 1322 . 1 1 106 106 LEU HA H 1 4.385 0.020 . 1 . . . . 184 LEU HA . 11065 1 1323 . 1 1 106 106 LEU HB2 H 1 1.768 0.020 . 2 . . . . 184 LEU HB2 . 11065 1 1324 . 1 1 106 106 LEU HB3 H 1 1.768 0.020 . 2 . . . . 184 LEU HB3 . 11065 1 1325 . 1 1 106 106 LEU HD11 H 1 0.906 0.020 . 2 . . . . 184 LEU HD1 . 11065 1 1326 . 1 1 106 106 LEU HD12 H 1 0.906 0.020 . 2 . . . . 184 LEU HD1 . 11065 1 1327 . 1 1 106 106 LEU HD13 H 1 0.906 0.020 . 2 . . . . 184 LEU HD1 . 11065 1 1328 . 1 1 106 106 LEU HD21 H 1 0.917 0.020 . 2 . . . . 184 LEU HD2 . 11065 1 1329 . 1 1 106 106 LEU HD22 H 1 0.917 0.020 . 2 . . . . 184 LEU HD2 . 11065 1 1330 . 1 1 106 106 LEU HD23 H 1 0.917 0.020 . 2 . . . . 184 LEU HD2 . 11065 1 1331 . 1 1 106 106 LEU C C 13 176.332 0.300 . 1 . . . . 184 LEU C . 11065 1 1332 . 1 1 106 106 LEU CA C 13 54.857 0.300 . 1 . . . . 184 LEU CA . 11065 1 1333 . 1 1 106 106 LEU CB C 13 42.054 0.300 . 1 . . . . 184 LEU CB . 11065 1 1334 . 1 1 106 106 LEU CD1 C 13 26.544 0.300 . 1 . . . . 184 LEU CD1 . 11065 1 1335 . 1 1 106 106 LEU CD2 C 13 22.569 0.300 . 1 . . . . 184 LEU CD2 . 11065 1 1336 . 1 1 106 106 LEU N N 15 118.606 0.300 . 1 . . . . 184 LEU N . 11065 1 1337 . 1 1 107 107 SER H H 1 8.123 0.020 . 1 . . . . 185 SER H . 11065 1 1338 . 1 1 107 107 SER HA H 1 4.202 0.020 . 1 . . . . 185 SER HA . 11065 1 1339 . 1 1 107 107 SER HB2 H 1 3.994 0.020 . 2 . . . . 185 SER HB2 . 11065 1 1340 . 1 1 107 107 SER HB3 H 1 4.031 0.020 . 2 . . . . 185 SER HB3 . 11065 1 1341 . 1 1 107 107 SER C C 13 174.826 0.300 . 1 . . . . 185 SER C . 11065 1 1342 . 1 1 107 107 SER CA C 13 58.894 0.300 . 1 . . . . 185 SER CA . 11065 1 1343 . 1 1 107 107 SER CB C 13 61.684 0.300 . 1 . . . . 185 SER CB . 11065 1 1344 . 1 1 107 107 SER N N 15 113.023 0.300 . 1 . . . . 185 SER N . 11065 1 1345 . 1 1 108 108 MET H H 1 8.212 0.020 . 1 . . . . 186 MET H . 11065 1 1346 . 1 1 108 108 MET HA H 1 4.188 0.020 . 1 . . . . 186 MET HA . 11065 1 1347 . 1 1 108 108 MET HB2 H 1 2.255 0.020 . 2 . . . . 186 MET HB2 . 11065 1 1348 . 1 1 108 108 MET HB3 H 1 1.808 0.020 . 2 . . . . 186 MET HB3 . 11065 1 1349 . 1 1 108 108 MET HE1 H 1 1.973 0.020 . 1 . . . . 186 MET HE . 11065 1 1350 . 1 1 108 108 MET HE2 H 1 1.973 0.020 . 1 . . . . 186 MET HE . 11065 1 1351 . 1 1 108 108 MET HE3 H 1 1.973 0.020 . 1 . . . . 186 MET HE . 11065 1 1352 . 1 1 108 108 MET HG2 H 1 2.596 0.020 . 2 . . . . 186 MET HG2 . 11065 1 1353 . 1 1 108 108 MET HG3 H 1 2.473 0.020 . 2 . . . . 186 MET HG3 . 11065 1 1354 . 1 1 108 108 MET C C 13 174.495 0.300 . 1 . . . . 186 MET C . 11065 1 1355 . 1 1 108 108 MET CA C 13 57.328 0.300 . 1 . . . . 186 MET CA . 11065 1 1356 . 1 1 108 108 MET CB C 13 33.414 0.300 . 1 . . . . 186 MET CB . 11065 1 1357 . 1 1 108 108 MET CE C 13 18.041 0.300 . 1 . . . . 186 MET CE . 11065 1 1358 . 1 1 108 108 MET CG C 13 33.058 0.300 . 1 . . . . 186 MET CG . 11065 1 1359 . 1 1 108 108 MET N N 15 117.267 0.300 . 1 . . . . 186 MET N . 11065 1 1360 . 1 1 109 109 TYR H H 1 7.461 0.020 . 1 . . . . 187 TYR H . 11065 1 1361 . 1 1 109 109 TYR HA H 1 4.293 0.020 . 1 . . . . 187 TYR HA . 11065 1 1362 . 1 1 109 109 TYR HB2 H 1 2.966 0.020 . 2 . . . . 187 TYR HB2 . 11065 1 1363 . 1 1 109 109 TYR HB3 H 1 2.966 0.020 . 2 . . . . 187 TYR HB3 . 11065 1 1364 . 1 1 109 109 TYR HD1 H 1 6.907 0.020 . 1 . . . . 187 TYR HD1 . 11065 1 1365 . 1 1 109 109 TYR HD2 H 1 6.907 0.020 . 1 . . . . 187 TYR HD2 . 11065 1 1366 . 1 1 109 109 TYR HE1 H 1 6.812 0.020 . 1 . . . . 187 TYR HE1 . 11065 1 1367 . 1 1 109 109 TYR HE2 H 1 6.812 0.020 . 1 . . . . 187 TYR HE2 . 11065 1 1368 . 1 1 109 109 TYR C C 13 178.918 0.300 . 1 . . . . 187 TYR C . 11065 1 1369 . 1 1 109 109 TYR CA C 13 58.548 0.300 . 1 . . . . 187 TYR CA . 11065 1 1370 . 1 1 109 109 TYR CB C 13 39.121 0.300 . 1 . . . . 187 TYR CB . 11065 1 1371 . 1 1 109 109 TYR CD1 C 13 133.227 0.300 . 1 . . . . 187 TYR CD1 . 11065 1 1372 . 1 1 109 109 TYR CD2 C 13 133.227 0.300 . 1 . . . . 187 TYR CD2 . 11065 1 1373 . 1 1 109 109 TYR CE1 C 13 117.841 0.300 . 1 . . . . 187 TYR CE1 . 11065 1 1374 . 1 1 109 109 TYR CE2 C 13 117.841 0.300 . 1 . . . . 187 TYR CE2 . 11065 1 1375 . 1 1 109 109 TYR N N 15 120.895 0.300 . 1 . . . . 187 TYR N . 11065 1 stop_ save_