data_4184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4184 _Entry.Title ; Structure and Asn-Pro-Phe Binding Pocket of the Eps15 Homology Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-08-13 _Entry.Accession_date 1999-10-14 _Entry.Last_release_date 2000-01-11 _Entry.Original_release_date 2000-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Tonny 'De Beer' . . . 4184 2 Royston Carter . E. . 4184 3 Katherine Lobel-Rice . E. . 4184 4 Alexander Sorkin . . . 4184 5 Michael Overduin . . . 4184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 4184 '15N chemical shifts' 91 4184 '1H chemical shifts' 697 4184 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-01-11 1998-08-13 original author . 4184 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1EH2 'BMRB Entry Tracking System' 4184 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4184 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98387926 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and Asn-Pro-Phe Binding Pocket of the Eps15 Homology Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full Science _Citation.Journal_volume 281 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1357 _Citation.Page_last 1360 _Citation.Year 1998 _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 Tonny 'De Beer' . . . 4184 1 2 Royston Carter . E. . 4184 1 3 Katherine Lobel-Rice . E. . 4184 1 4 Alexander Sorkin . . . 4184 1 5 Michael Overduin . . . 4184 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4184 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4184 2 2 'C G' Bigam C. G. . 4184 2 3 J Yao J. . . 4184 2 4 F Abildgaard F. . . 4184 2 5 'H J' Dyson H. J. . 4184 2 6 E Oldfield E. . . 4184 2 7 'J L' Markley J. L. . 4184 2 8 'B D' Sykes B. D. . 4184 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EH2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EH2 _Assembly.Entry_ID 4184 _Assembly.ID 1 _Assembly.Name 'eps15 homology domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4184 1 stop_ 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 EH2 1 $EH2 . . . native . . . . . 4184 1 2 entity_CA 2 $entity_CA . . . native . . . . . 4184 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'EH domain' abbreviation 4184 1 'eps15 homology domain' system 4184 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'epidermal growth factor receptor pathway substrate clone 15' 4184 1 'eps15 plays a critical role in endocytosis' 4184 1 'protein interaction domain' 4184 1 'second EH domain of eps15' 4184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EH2 _Entity.Sf_category entity _Entity.Sf_framecode EH2 _Entity.Entry_ID 4184 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'eps15 homology domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PWAVKPEDKAKYDAIFDSLS PVNGFLSGDKVKPVLLNSKL PVDILGRVWELSDIDHDGML DRDEFAVAMFLVYCALEKEP VPMSLPPALVPPSKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15554 . EH2 . . . . . 100.00 100 100.00 100.00 3.94e-59 . . . . 4184 1 2 no PDB 1EH2 . "Structure Of The Second Eps15 Homology Domain Of Human Eps15, Nmr, 20 Structures" . . . . . 100.00 106 100.00 100.00 4.15e-59 . . . . 4184 1 3 no PDB 1F8H . "Structure Of The Second Eps15 Homology Domain Of Human Eps15 In Complex With Ptgssstnpfr" . . . . . 100.00 95 100.00 100.00 2.61e-59 . . . . 4184 1 4 no PDB 1FF1 . "Structure Of The Second Eps15 Homology Domain Of Human Eps15 In Complex With Ptgssstnpfl" . . . . . 98.95 95 100.00 100.00 2.81e-58 . . . . 4184 1 5 no PDB 2JXC . "Structure Of The Eps15-eh2 Stonin2 Complex" . . . . . 100.00 100 100.00 100.00 3.94e-59 . . . . 4184 1 6 no GB ELK26712 . "Epidermal growth factor receptor substrate 15 [Myotis davidii]" . . . . . 100.00 699 98.95 98.95 8.38e-54 . . . . 4184 1 7 no REF XP_004025845 . "PREDICTED: epidermal growth factor receptor substrate 15-like [Gorilla gorilla gorilla]" . . . . . 50.53 150 100.00 100.00 5.62e-23 . . . . 4184 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'EH domain' abbreviation 4184 1 'eps15 homology domain' common 4184 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 1 121 PRO . 4184 1 2 122 TRP . 4184 1 3 123 ALA . 4184 1 4 124 VAL . 4184 1 5 125 LYS . 4184 1 6 126 PRO . 4184 1 7 127 GLU . 4184 1 8 128 ASP . 4184 1 9 129 LYS . 4184 1 10 130 ALA . 4184 1 11 131 LYS . 4184 1 12 132 TYR . 4184 1 13 133 ASP . 4184 1 14 134 ALA . 4184 1 15 135 ILE . 4184 1 16 136 PHE . 4184 1 17 137 ASP . 4184 1 18 138 SER . 4184 1 19 139 LEU . 4184 1 20 140 SER . 4184 1 21 141 PRO . 4184 1 22 142 VAL . 4184 1 23 143 ASN . 4184 1 24 144 GLY . 4184 1 25 145 PHE . 4184 1 26 146 LEU . 4184 1 27 147 SER . 4184 1 28 148 GLY . 4184 1 29 149 ASP . 4184 1 30 150 LYS . 4184 1 31 151 VAL . 4184 1 32 152 LYS . 4184 1 33 153 PRO . 4184 1 34 154 VAL . 4184 1 35 155 LEU . 4184 1 36 156 LEU . 4184 1 37 157 ASN . 4184 1 38 158 SER . 4184 1 39 159 LYS . 4184 1 40 160 LEU . 4184 1 41 161 PRO . 4184 1 42 162 VAL . 4184 1 43 163 ASP . 4184 1 44 164 ILE . 4184 1 45 165 LEU . 4184 1 46 166 GLY . 4184 1 47 167 ARG . 4184 1 48 168 VAL . 4184 1 49 169 TRP . 4184 1 50 170 GLU . 4184 1 51 171 LEU . 4184 1 52 172 SER . 4184 1 53 173 ASP . 4184 1 54 174 ILE . 4184 1 55 175 ASP . 4184 1 56 176 HIS . 4184 1 57 177 ASP . 4184 1 58 178 GLY . 4184 1 59 179 MET . 4184 1 60 180 LEU . 4184 1 61 181 ASP . 4184 1 62 182 ARG . 4184 1 63 183 ASP . 4184 1 64 184 GLU . 4184 1 65 185 PHE . 4184 1 66 186 ALA . 4184 1 67 187 VAL . 4184 1 68 188 ALA . 4184 1 69 189 MET . 4184 1 70 190 PHE . 4184 1 71 191 LEU . 4184 1 72 192 VAL . 4184 1 73 193 TYR . 4184 1 74 194 CYS . 4184 1 75 195 ALA . 4184 1 76 196 LEU . 4184 1 77 197 GLU . 4184 1 78 198 LYS . 4184 1 79 199 GLU . 4184 1 80 200 PRO . 4184 1 81 201 VAL . 4184 1 82 202 PRO . 4184 1 83 203 MET . 4184 1 84 204 SER . 4184 1 85 205 LEU . 4184 1 86 206 PRO . 4184 1 87 207 PRO . 4184 1 88 208 ALA . 4184 1 89 209 LEU . 4184 1 90 210 VAL . 4184 1 91 211 PRO . 4184 1 92 212 PRO . 4184 1 93 213 SER . 4184 1 94 214 LYS . 4184 1 95 215 ARG . 4184 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 . PRO 1 1 4184 1 . TRP 2 2 4184 1 . ALA 3 3 4184 1 . VAL 4 4 4184 1 . LYS 5 5 4184 1 . PRO 6 6 4184 1 . GLU 7 7 4184 1 . ASP 8 8 4184 1 . LYS 9 9 4184 1 . ALA 10 10 4184 1 . LYS 11 11 4184 1 . TYR 12 12 4184 1 . ASP 13 13 4184 1 . ALA 14 14 4184 1 . ILE 15 15 4184 1 . PHE 16 16 4184 1 . ASP 17 17 4184 1 . SER 18 18 4184 1 . LEU 19 19 4184 1 . SER 20 20 4184 1 . PRO 21 21 4184 1 . VAL 22 22 4184 1 . ASN 23 23 4184 1 . GLY 24 24 4184 1 . PHE 25 25 4184 1 . LEU 26 26 4184 1 . SER 27 27 4184 1 . GLY 28 28 4184 1 . ASP 29 29 4184 1 . LYS 30 30 4184 1 . VAL 31 31 4184 1 . LYS 32 32 4184 1 . PRO 33 33 4184 1 . VAL 34 34 4184 1 . LEU 35 35 4184 1 . LEU 36 36 4184 1 . ASN 37 37 4184 1 . SER 38 38 4184 1 . LYS 39 39 4184 1 . LEU 40 40 4184 1 . PRO 41 41 4184 1 . VAL 42 42 4184 1 . ASP 43 43 4184 1 . ILE 44 44 4184 1 . LEU 45 45 4184 1 . GLY 46 46 4184 1 . ARG 47 47 4184 1 . VAL 48 48 4184 1 . TRP 49 49 4184 1 . GLU 50 50 4184 1 . LEU 51 51 4184 1 . SER 52 52 4184 1 . ASP 53 53 4184 1 . ILE 54 54 4184 1 . ASP 55 55 4184 1 . HIS 56 56 4184 1 . ASP 57 57 4184 1 . GLY 58 58 4184 1 . MET 59 59 4184 1 . LEU 60 60 4184 1 . ASP 61 61 4184 1 . ARG 62 62 4184 1 . ASP 63 63 4184 1 . GLU 64 64 4184 1 . PHE 65 65 4184 1 . ALA 66 66 4184 1 . VAL 67 67 4184 1 . ALA 68 68 4184 1 . MET 69 69 4184 1 . PHE 70 70 4184 1 . LEU 71 71 4184 1 . VAL 72 72 4184 1 . TYR 73 73 4184 1 . CYS 74 74 4184 1 . ALA 75 75 4184 1 . LEU 76 76 4184 1 . GLU 77 77 4184 1 . LYS 78 78 4184 1 . GLU 79 79 4184 1 . PRO 80 80 4184 1 . VAL 81 81 4184 1 . PRO 82 82 4184 1 . MET 83 83 4184 1 . SER 84 84 4184 1 . LEU 85 85 4184 1 . PRO 86 86 4184 1 . PRO 87 87 4184 1 . ALA 88 88 4184 1 . LEU 89 89 4184 1 . VAL 90 90 4184 1 . PRO 91 91 4184 1 . PRO 92 92 4184 1 . SER 93 93 4184 1 . LYS 94 94 4184 1 . ARG 95 95 4184 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 4184 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 4184 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 4184 2 CA 'Three letter code' 4184 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $CA 4184 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 4184 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4184 _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 $EH2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4184 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 4184 _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 $EH2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4184 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4184 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4184 CA [Ca++] SMILES CACTVS 3.341 4184 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4184 CA [Ca+2] SMILES ACDLabs 10.04 4184 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4184 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4184 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4184 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4184 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4184 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4184 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4184 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; homonuclear EH2 and U-98% 15N-labelled EH2 samples were measured under similar conditions. DTT is essential for prevention of Cys oxidation ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'eps15 homology domain' '[U-13C; U-98% 15N]' . . 1 $EH2 . . . 1.0 4.0 mM . . . . 4184 1 2 Tris . . . . . . . 20 . . mM . . . . 4184 1 3 KCl . . . . . . . 100 . . mM . . . . 4184 1 4 CaCl2 . . . . . . . 2 . . mM . . . . 4184 1 5 DTT . . . . . . . 2 . . mM . . . . 4184 1 6 NaN3 . . . . . . . 10 . . uM . . . . 4184 1 7 APMSF . . . . . . . . . . n/a . . . . 4184 1 8 H2O . . . . . . . 1 . . mM . . . . 4184 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4184 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; homonuclear EH2 and U-98% 15N-labelled EH2 samples were measured under similar conditions. DTT is essential for prevention of Cys oxidation ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'eps15 homology domain' '[U-13C; U-98% 15N]' . . 1 $EH2 . . . 1.0 4.0 mM . . . . 4184 2 2 Tris . . . . . . . 20 . . mM . . . . 4184 2 3 KCl . . . . . . . 100 . . mM . . . . 4184 2 4 CaCl2 . . . . . . . 2 . . mM . . . . 4184 2 5 DTT . . . . . . . 2 . . mM . . . . 4184 2 6 NaN3 . . . . . . . 10 . . uM . . . . 4184 2 7 APMSF . . . . . . . . . . n/a . . . . 4184 2 8 D2O . . . . . . . 1 . . mM . . . . 4184 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4184 _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 pH 7.0 0.1 n/a 4184 1 pressure 1 . atm 4184 1 temperature 298 2 K 4184 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4184 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4184 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4184 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ; generating peak-picked list, which was the basis of the chemical shift tables ; 4184 2 stop_ save_ save_software_three _Software.Sf_category software _Software.Sf_framecode software_three _Software.Entry_ID 4184 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.84 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 4184 3 stop_ save_ save_software_four _Software.Sf_category software _Software.Sf_framecode software_four _Software.Entry_ID 4184 _Software.ID 4 _Software.Name InsightII _Software.Version 6.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualization of the structure' 4184 4 stop_ save_ save_software_five _Software.Sf_category software _Software.Sf_framecode software_five _Software.Entry_ID 4184 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 4184 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4184 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4184 _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 NMR_spectrometer_one Varian Inova . 500 . . . 4184 1 2 NMR_spectrometer_two Varian Inova . 600 . . . 4184 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 4184 _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 '15N-filtered TOCSY and NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 2 '15N-1H HSQC-NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 3 '1H-15N HMQC-J' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 4 '3D and 4D 13C/15N-filtered NOESY's' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 5 HNCO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 6 CCC-TOCSY-NNH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 7 HCC-TOCSY-NNH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 8 HBCBCACONNH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 9 HNCACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 10 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 11 HBCBCGCDHD . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 12 HBCBCGCDCEHE . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4184 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-filtered TOCSY and NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N-1H HSQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N HMQC-J' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D and 4D 13C/15N-filtered NOESY's' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBCBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBCBCGCDHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4184 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HBCBCGCDCEHE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4184 _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 carbons' . . . . ppm 0.00 external direct . external_to_the_sample cylindrical parallel_to_Bo 2 $citation_one . . . . 4184 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.000000000 . . . 2 $citation_one . . . . 4184 1 N 15 DSS 'methyl protons' . . . . ppm 4.75 . indirect 0.101329118 . . . 2 $citation_one . . . . 4184 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4184 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; The notation in the NMR chemical shift table corresponds to that of eps15, residues 121-215 ; _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 $sample_one . 4184 1 . . 2 $sample_two . 4184 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 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 4184 1 2 . 1 1 1 1 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 4184 1 3 . 1 1 1 1 PRO HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4184 1 4 . 1 1 1 1 PRO HG2 H 1 2.07 0.02 . 1 . . . . . . . . 4184 1 5 . 1 1 1 1 PRO HG3 H 1 2.07 0.02 . 1 . . . . . . . . 4184 1 6 . 1 1 1 1 PRO HD2 H 1 3.89 0.02 . 2 . . . . . . . . 4184 1 7 . 1 1 1 1 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 4184 1 8 . 1 1 1 1 PRO C C 13 176.33 0.05 . 1 . . . . . . . . 4184 1 9 . 1 1 1 1 PRO CA C 13 63.13 0.05 . 1 . . . . . . . . 4184 1 10 . 1 1 1 1 PRO CB C 13 32.06 0.05 . 1 . . . . . . . . 4184 1 11 . 1 1 1 1 PRO CG C 13 27.61 0.05 . 1 . . . . . . . . 4184 1 12 . 1 1 1 1 PRO CD C 13 50.77 0.05 . 1 . . . . . . . . 4184 1 13 . 1 1 2 2 TRP H H 1 8.92 0.02 . 1 . . . . . . . . 4184 1 14 . 1 1 2 2 TRP HA H 1 5.02 0.02 . 1 . . . . . . . . 4184 1 15 . 1 1 2 2 TRP HB2 H 1 3.46 0.02 . 2 . . . . . . . . 4184 1 16 . 1 1 2 2 TRP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4184 1 17 . 1 1 2 2 TRP HD1 H 1 7.82 0.02 . 1 . . . . . . . . 4184 1 18 . 1 1 2 2 TRP HE1 H 1 9.31 0.02 . 1 . . . . . . . . 4184 1 19 . 1 1 2 2 TRP HE3 H 1 7.75 0.02 . 1 . . . . . . . . 4184 1 20 . 1 1 2 2 TRP HZ2 H 1 7.5 0.02 . 1 . . . . . . . . 4184 1 21 . 1 1 2 2 TRP HZ3 H 1 7.05 0.02 . 1 . . . . . . . . 4184 1 22 . 1 1 2 2 TRP HH2 H 1 7.18 0.02 . 1 . . . . . . . . 4184 1 23 . 1 1 2 2 TRP C C 13 177.17 0.05 . 1 . . . . . . . . 4184 1 24 . 1 1 2 2 TRP CA C 13 54.81 0.05 . 1 . . . . . . . . 4184 1 25 . 1 1 2 2 TRP CB C 13 29.79 0.05 . 1 . . . . . . . . 4184 1 26 . 1 1 2 2 TRP CD1 C 13 126.95 0.05 . 1 . . . . . . . . 4184 1 27 . 1 1 2 2 TRP CE3 C 13 122.58 0.05 . 1 . . . . . . . . 4184 1 28 . 1 1 2 2 TRP CZ2 C 13 113.28 0.05 . 1 . . . . . . . . 4184 1 29 . 1 1 2 2 TRP CZ3 C 13 121.31 0.05 . 1 . . . . . . . . 4184 1 30 . 1 1 2 2 TRP CH2 C 13 124.84 0.05 . 1 . . . . . . . . 4184 1 31 . 1 1 2 2 TRP N N 15 123.25 0.05 . 1 . . . . . . . . 4184 1 32 . 1 1 2 2 TRP NE1 N 15 130.05 0.05 . 1 . . . . . . . . 4184 1 33 . 1 1 3 3 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4184 1 34 . 1 1 3 3 ALA HA H 1 3.86 0.02 . 1 . . . . . . . . 4184 1 35 . 1 1 3 3 ALA HB1 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 36 . 1 1 3 3 ALA HB2 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 37 . 1 1 3 3 ALA HB3 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 38 . 1 1 3 3 ALA C C 13 176.25 0.05 . 1 . . . . . . . . 4184 1 39 . 1 1 3 3 ALA CA C 13 53.54 0.05 . 1 . . . . . . . . 4184 1 40 . 1 1 3 3 ALA CB C 13 19.27 0.05 . 1 . . . . . . . . 4184 1 41 . 1 1 3 3 ALA N N 15 128.12 0.05 . 1 . . . . . . . . 4184 1 42 . 1 1 4 4 VAL H H 1 4.98 0.02 . 1 . . . . . . . . 4184 1 43 . 1 1 4 4 VAL HA H 1 3.37 0.02 . 1 . . . . . . . . 4184 1 44 . 1 1 4 4 VAL HB H 1 -0.56 0.02 . 1 . . . . . . . . 4184 1 45 . 1 1 4 4 VAL HG11 H 1 0.44 0.02 . 1 . . . . . . . . 4184 1 46 . 1 1 4 4 VAL HG12 H 1 0.44 0.02 . 1 . . . . . . . . 4184 1 47 . 1 1 4 4 VAL HG13 H 1 0.44 0.02 . 1 . . . . . . . . 4184 1 48 . 1 1 4 4 VAL HG21 H 1 -0.07 0.02 . 1 . . . . . . . . 4184 1 49 . 1 1 4 4 VAL HG22 H 1 -0.07 0.02 . 1 . . . . . . . . 4184 1 50 . 1 1 4 4 VAL HG23 H 1 -0.07 0.02 . 1 . . . . . . . . 4184 1 51 . 1 1 4 4 VAL C C 13 174.09 0.05 . 1 . . . . . . . . 4184 1 52 . 1 1 4 4 VAL CA C 13 61.43 0.05 . 1 . . . . . . . . 4184 1 53 . 1 1 4 4 VAL CB C 13 29.75 0.05 . 1 . . . . . . . . 4184 1 54 . 1 1 4 4 VAL CG1 C 13 21.99 0.05 . 1 . . . . . . . . 4184 1 55 . 1 1 4 4 VAL CG2 C 13 20.35 0.05 . 1 . . . . . . . . 4184 1 56 . 1 1 4 4 VAL N N 15 113.76 0.05 . 1 . . . . . . . . 4184 1 57 . 1 1 5 5 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 4184 1 58 . 1 1 5 5 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 4184 1 59 . 1 1 5 5 LYS HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4184 1 60 . 1 1 5 5 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4184 1 61 . 1 1 5 5 LYS HG2 H 1 1.61 0.02 . 2 . . . . . . . . 4184 1 62 . 1 1 5 5 LYS HG3 H 1 1.55 0.02 . 2 . . . . . . . . 4184 1 63 . 1 1 5 5 LYS HD2 H 1 1.78 0.02 . 1 . . . . . . . . 4184 1 64 . 1 1 5 5 LYS HD3 H 1 1.78 0.02 . 1 . . . . . . . . 4184 1 65 . 1 1 5 5 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 4184 1 66 . 1 1 5 5 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 4184 1 67 . 1 1 5 5 LYS CA C 13 54.98 0.05 . 1 . . . . . . . . 4184 1 68 . 1 1 5 5 LYS CB C 13 30.83 0.05 . 1 . . . . . . . . 4184 1 69 . 1 1 5 5 LYS CG C 13 25.49 0.05 . 2 . . . . . . . . 4184 1 70 . 1 1 5 5 LYS CD C 13 28.89 0.05 . 2 . . . . . . . . 4184 1 71 . 1 1 5 5 LYS CE C 13 41.97 0.05 . 1 . . . . . . . . 4184 1 72 . 1 1 5 5 LYS N N 15 129.16 0.05 . 1 . . . . . . . . 4184 1 73 . 1 1 6 6 PRO HA H 1 4.22 0.02 . 1 . . . . . . . . 4184 1 74 . 1 1 6 6 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4184 1 75 . 1 1 6 6 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4184 1 76 . 1 1 6 6 PRO HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4184 1 77 . 1 1 6 6 PRO HG3 H 1 2.17 0.02 . 2 . . . . . . . . 4184 1 78 . 1 1 6 6 PRO HD2 H 1 4 0.02 . 2 . . . . . . . . 4184 1 79 . 1 1 6 6 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 4184 1 80 . 1 1 6 6 PRO C C 13 179.39 0.05 . 1 . . . . . . . . 4184 1 81 . 1 1 6 6 PRO CA C 13 66.17 0.05 . 1 . . . . . . . . 4184 1 82 . 1 1 6 6 PRO CB C 13 31.96 0.05 . 1 . . . . . . . . 4184 1 83 . 1 1 6 6 PRO CG C 13 27.93 0.05 . 1 . . . . . . . . 4184 1 84 . 1 1 6 6 PRO CD C 13 50.19 0.05 . 1 . . . . . . . . 4184 1 85 . 1 1 7 7 GLU H H 1 9.72 0.02 . 1 . . . . . . . . 4184 1 86 . 1 1 7 7 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4184 1 87 . 1 1 7 7 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4184 1 88 . 1 1 7 7 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4184 1 89 . 1 1 7 7 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4184 1 90 . 1 1 7 7 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4184 1 91 . 1 1 7 7 GLU C C 13 178.79 0.05 . 1 . . . . . . . . 4184 1 92 . 1 1 7 7 GLU CA C 13 59.52 0.05 . 1 . . . . . . . . 4184 1 93 . 1 1 7 7 GLU CB C 13 28.53 0.05 . 1 . . . . . . . . 4184 1 94 . 1 1 7 7 GLU CG C 13 36.34 0.05 . 1 . . . . . . . . 4184 1 95 . 1 1 7 7 GLU N N 15 117.56 0.05 . 1 . . . . . . . . 4184 1 96 . 1 1 8 8 ASP H H 1 6.93 0.02 . 1 . . . . . . . . 4184 1 97 . 1 1 8 8 ASP HA H 1 4.13 0.02 . 1 . . . . . . . . 4184 1 98 . 1 1 8 8 ASP HB2 H 1 2.45 0.02 . 2 . . . . . . . . 4184 1 99 . 1 1 8 8 ASP HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4184 1 100 . 1 1 8 8 ASP C C 13 175.76 0.05 . 1 . . . . . . . . 4184 1 101 . 1 1 8 8 ASP CA C 13 56.47 0.05 . 1 . . . . . . . . 4184 1 102 . 1 1 8 8 ASP CB C 13 40.08 0.05 . 1 . . . . . . . . 4184 1 103 . 1 1 8 8 ASP N N 15 120.88 0.05 . 1 . . . . . . . . 4184 1 104 . 1 1 9 9 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 4184 1 105 . 1 1 9 9 LYS HA H 1 3.68 0.02 . 1 . . . . . . . . 4184 1 106 . 1 1 9 9 LYS HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4184 1 107 . 1 1 9 9 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4184 1 108 . 1 1 9 9 LYS HG2 H 1 1.69 0.02 . 2 . . . . . . . . 4184 1 109 . 1 1 9 9 LYS HG3 H 1 1.65 0.02 . 2 . . . . . . . . 4184 1 110 . 1 1 9 9 LYS HD2 H 1 2.34 0.02 . 2 . . . . . . . . 4184 1 111 . 1 1 9 9 LYS HD3 H 1 1.52 0.02 . 2 . . . . . . . . 4184 1 112 . 1 1 9 9 LYS HE2 H 1 3.32 0.02 . 2 . . . . . . . . 4184 1 113 . 1 1 9 9 LYS HE3 H 1 3.28 0.02 . 2 . . . . . . . . 4184 1 114 . 1 1 9 9 LYS C C 13 176.94 0.05 . 1 . . . . . . . . 4184 1 115 . 1 1 9 9 LYS CA C 13 58.48 0.05 . 1 . . . . . . . . 4184 1 116 . 1 1 9 9 LYS CB C 13 32.31 0.05 . 1 . . . . . . . . 4184 1 117 . 1 1 9 9 LYS CG C 13 24.46 0.05 . 1 . . . . . . . . 4184 1 118 . 1 1 9 9 LYS CD C 13 28.33 0.05 . 1 . . . . . . . . 4184 1 119 . 1 1 9 9 LYS CE C 13 42.58 0.05 . 1 . . . . . . . . 4184 1 120 . 1 1 9 9 LYS N N 15 120.17 0.05 . 1 . . . . . . . . 4184 1 121 . 1 1 10 10 ALA H H 1 7.82 0.02 . 1 . . . . . . . . 4184 1 122 . 1 1 10 10 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4184 1 123 . 1 1 10 10 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4184 1 124 . 1 1 10 10 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4184 1 125 . 1 1 10 10 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4184 1 126 . 1 1 10 10 ALA C C 13 180.93 0.05 . 1 . . . . . . . . 4184 1 127 . 1 1 10 10 ALA CA C 13 55.22 0.05 . 1 . . . . . . . . 4184 1 128 . 1 1 10 10 ALA CB C 13 17.91 0.05 . 1 . . . . . . . . 4184 1 129 . 1 1 10 10 ALA N N 15 118.17 0.05 . 1 . . . . . . . . 4184 1 130 . 1 1 11 11 LYS H H 1 6.97 0.02 . 1 . . . . . . . . 4184 1 131 . 1 1 11 11 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 4184 1 132 . 1 1 11 11 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4184 1 133 . 1 1 11 11 LYS HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4184 1 134 . 1 1 11 11 LYS HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4184 1 135 . 1 1 11 11 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 4184 1 136 . 1 1 11 11 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 137 . 1 1 11 11 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 138 . 1 1 11 11 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 4184 1 139 . 1 1 11 11 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 4184 1 140 . 1 1 11 11 LYS C C 13 179.86 0.05 . 1 . . . . . . . . 4184 1 141 . 1 1 11 11 LYS CA C 13 59.31 0.05 . 1 . . . . . . . . 4184 1 142 . 1 1 11 11 LYS CB C 13 32.02 0.05 . 1 . . . . . . . . 4184 1 143 . 1 1 11 11 LYS CG C 13 25.03 0.05 . 1 . . . . . . . . 4184 1 144 . 1 1 11 11 LYS CD C 13 29.72 0.05 . 1 . . . . . . . . 4184 1 145 . 1 1 11 11 LYS CE C 13 42.16 0.05 . 1 . . . . . . . . 4184 1 146 . 1 1 11 11 LYS N N 15 119.66 0.05 . 1 . . . . . . . . 4184 1 147 . 1 1 12 12 TYR H H 1 8.46 0.02 . 1 . . . . . . . . 4184 1 148 . 1 1 12 12 TYR HA H 1 4.79 0.02 . 1 . . . . . . . . 4184 1 149 . 1 1 12 12 TYR HB2 H 1 3.47 0.02 . 2 . . . . . . . . 4184 1 150 . 1 1 12 12 TYR HB3 H 1 3.26 0.02 . 2 . . . . . . . . 4184 1 151 . 1 1 12 12 TYR HD1 H 1 6.81 0.02 . 1 . . . . . . . . 4184 1 152 . 1 1 12 12 TYR HD2 H 1 6.81 0.02 . 1 . . . . . . . . 4184 1 153 . 1 1 12 12 TYR HE1 H 1 6.63 0.02 . 1 . . . . . . . . 4184 1 154 . 1 1 12 12 TYR HE2 H 1 6.63 0.02 . 1 . . . . . . . . 4184 1 155 . 1 1 12 12 TYR C C 13 178.34 0.05 . 1 . . . . . . . . 4184 1 156 . 1 1 12 12 TYR CA C 13 57.98 0.05 . 1 . . . . . . . . 4184 1 157 . 1 1 12 12 TYR CB C 13 35.61 0.05 . 1 . . . . . . . . 4184 1 158 . 1 1 12 12 TYR CD1 C 13 131.42 0.05 . 1 . . . . . . . . 4184 1 159 . 1 1 12 12 TYR CD2 C 13 131.42 0.05 . 1 . . . . . . . . 4184 1 160 . 1 1 12 12 TYR CE1 C 13 118.2 0.05 . 1 . . . . . . . . 4184 1 161 . 1 1 12 12 TYR CE2 C 13 118.2 0.05 . 1 . . . . . . . . 4184 1 162 . 1 1 12 12 TYR N N 15 122.02 0.05 . 1 . . . . . . . . 4184 1 163 . 1 1 13 13 ASP H H 1 9.41 0.02 . 1 . . . . . . . . 4184 1 164 . 1 1 13 13 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 4184 1 165 . 1 1 13 13 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4184 1 166 . 1 1 13 13 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4184 1 167 . 1 1 13 13 ASP C C 13 177.76 0.05 . 1 . . . . . . . . 4184 1 168 . 1 1 13 13 ASP CA C 13 57.35 0.05 . 1 . . . . . . . . 4184 1 169 . 1 1 13 13 ASP CB C 13 40.47 0.05 . 1 . . . . . . . . 4184 1 170 . 1 1 13 13 ASP N N 15 121.14 0.05 . 1 . . . . . . . . 4184 1 171 . 1 1 14 14 ALA H H 1 7.34 0.02 . 1 . . . . . . . . 4184 1 172 . 1 1 14 14 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4184 1 173 . 1 1 14 14 ALA HB1 H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 174 . 1 1 14 14 ALA HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 175 . 1 1 14 14 ALA HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 176 . 1 1 14 14 ALA C C 13 181.46 0.05 . 1 . . . . . . . . 4184 1 177 . 1 1 14 14 ALA CA C 13 54.89 0.05 . 1 . . . . . . . . 4184 1 178 . 1 1 14 14 ALA CB C 13 17.86 0.05 . 1 . . . . . . . . 4184 1 179 . 1 1 14 14 ALA N N 15 120.46 0.05 . 1 . . . . . . . . 4184 1 180 . 1 1 15 15 ILE H H 1 7.77 0.02 . 1 . . . . . . . . 4184 1 181 . 1 1 15 15 ILE HA H 1 3.87 0.02 . 1 . . . . . . . . 4184 1 182 . 1 1 15 15 ILE HB H 1 2.47 0.02 . 1 . . . . . . . . 4184 1 183 . 1 1 15 15 ILE HG12 H 1 2.16 0.02 . 2 . . . . . . . . 4184 1 184 . 1 1 15 15 ILE HG13 H 1 1.27 0.02 . 2 . . . . . . . . 4184 1 185 . 1 1 15 15 ILE HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4184 1 186 . 1 1 15 15 ILE HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4184 1 187 . 1 1 15 15 ILE HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4184 1 188 . 1 1 15 15 ILE HD11 H 1 1.18 0.02 . 1 . . . . . . . . 4184 1 189 . 1 1 15 15 ILE HD12 H 1 1.18 0.02 . 1 . . . . . . . . 4184 1 190 . 1 1 15 15 ILE HD13 H 1 1.18 0.02 . 1 . . . . . . . . 4184 1 191 . 1 1 15 15 ILE C C 13 179.10 0.05 . 1 . . . . . . . . 4184 1 192 . 1 1 15 15 ILE CA C 13 65.10 0.05 . 1 . . . . . . . . 4184 1 193 . 1 1 15 15 ILE CB C 13 38.84 0.05 . 1 . . . . . . . . 4184 1 194 . 1 1 15 15 ILE CG1 C 13 28.25 0.05 . 1 . . . . . . . . 4184 1 195 . 1 1 15 15 ILE CG2 C 13 18.02 0.05 . 1 . . . . . . . . 4184 1 196 . 1 1 15 15 ILE CD1 C 13 14.05 0.05 . 1 . . . . . . . . 4184 1 197 . 1 1 15 15 ILE N N 15 120.35 0.05 . 1 . . . . . . . . 4184 1 198 . 1 1 16 16 PHE H H 1 9.26 0.02 . 1 . . . . . . . . 4184 1 199 . 1 1 16 16 PHE HA H 1 3.2 0.02 . 1 . . . . . . . . 4184 1 200 . 1 1 16 16 PHE HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4184 1 201 . 1 1 16 16 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4184 1 202 . 1 1 16 16 PHE HD1 H 1 6.87 0.02 . 1 . . . . . . . . 4184 1 203 . 1 1 16 16 PHE HD2 H 1 6.87 0.02 . 1 . . . . . . . . 4184 1 204 . 1 1 16 16 PHE HE1 H 1 6.99 0.02 . 1 . . . . . . . . 4184 1 205 . 1 1 16 16 PHE HE2 H 1 6.99 0.02 . 1 . . . . . . . . 4184 1 206 . 1 1 16 16 PHE HZ H 1 7.2 0.02 . 1 . . . . . . . . 4184 1 207 . 1 1 16 16 PHE C C 13 177.05 0.05 . 1 . . . . . . . . 4184 1 208 . 1 1 16 16 PHE CA C 13 62.06 0.05 . 1 . . . . . . . . 4184 1 209 . 1 1 16 16 PHE CB C 13 39.04 0.05 . 1 . . . . . . . . 4184 1 210 . 1 1 16 16 PHE CD1 C 13 131.12 0.05 . 1 . . . . . . . . 4184 1 211 . 1 1 16 16 PHE CD2 C 13 131.12 0.05 . 1 . . . . . . . . 4184 1 212 . 1 1 16 16 PHE CE1 C 13 131.04 0.05 . 1 . . . . . . . . 4184 1 213 . 1 1 16 16 PHE CE2 C 13 131.04 0.05 . 1 . . . . . . . . 4184 1 214 . 1 1 16 16 PHE CZ C 13 129.33 0.05 . 1 . . . . . . . . 4184 1 215 . 1 1 16 16 PHE N N 15 124.15 0.05 . 1 . . . . . . . . 4184 1 216 . 1 1 17 17 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4184 1 217 . 1 1 17 17 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 4184 1 218 . 1 1 17 17 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4184 1 219 . 1 1 17 17 ASP HB3 H 1 2.76 0.02 . 1 . . . . . . . . 4184 1 220 . 1 1 17 17 ASP C C 13 179.33 0.05 . 1 . . . . . . . . 4184 1 221 . 1 1 17 17 ASP CA C 13 57.48 0.05 . 1 . . . . . . . . 4184 1 222 . 1 1 17 17 ASP CB C 13 40.42 0.05 . 1 . . . . . . . . 4184 1 223 . 1 1 17 17 ASP N N 15 115.31 0.05 . 1 . . . . . . . . 4184 1 224 . 1 1 18 18 SER H H 1 7.93 0.02 . 1 . . . . . . . . 4184 1 225 . 1 1 18 18 SER HA H 1 4.5 0.02 . 1 . . . . . . . . 4184 1 226 . 1 1 18 18 SER HB2 H 1 4.14 0.02 . 1 . . . . . . . . 4184 1 227 . 1 1 18 18 SER HB3 H 1 4.14 0.02 . 1 . . . . . . . . 4184 1 228 . 1 1 18 18 SER C C 13 174.77 0.05 . 1 . . . . . . . . 4184 1 229 . 1 1 18 18 SER CA C 13 60.59 0.05 . 1 . . . . . . . . 4184 1 230 . 1 1 18 18 SER CB C 13 63.47 0.05 . 1 . . . . . . . . 4184 1 231 . 1 1 18 18 SER N N 15 117.08 0.05 . 1 . . . . . . . . 4184 1 232 . 1 1 19 19 LEU H H 1 7.32 0.02 . 1 . . . . . . . . 4184 1 233 . 1 1 19 19 LEU HA H 1 4.4 0.02 . 1 . . . . . . . . 4184 1 234 . 1 1 19 19 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4184 1 235 . 1 1 19 19 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 4184 1 236 . 1 1 19 19 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 4184 1 237 . 1 1 19 19 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 238 . 1 1 19 19 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 239 . 1 1 19 19 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 240 . 1 1 19 19 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 4184 1 241 . 1 1 19 19 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 4184 1 242 . 1 1 19 19 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 4184 1 243 . 1 1 19 19 LEU C C 13 175.47 0.05 . 1 . . . . . . . . 4184 1 244 . 1 1 19 19 LEU CA C 13 54.77 0.05 . 1 . . . . . . . . 4184 1 245 . 1 1 19 19 LEU CB C 13 42.12 0.05 . 1 . . . . . . . . 4184 1 246 . 1 1 19 19 LEU CG C 13 26.39 0.05 . 1 . . . . . . . . 4184 1 247 . 1 1 19 19 LEU CD1 C 13 26.90 0.05 . 1 . . . . . . . . 4184 1 248 . 1 1 19 19 LEU CD2 C 13 22.37 0.05 . 1 . . . . . . . . 4184 1 249 . 1 1 19 19 LEU N N 15 123.49 0.05 . 1 . . . . . . . . 4184 1 250 . 1 1 20 20 SER H H 1 7.68 0.02 . 1 . . . . . . . . 4184 1 251 . 1 1 20 20 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 4184 1 252 . 1 1 20 20 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 4184 1 253 . 1 1 20 20 SER HB3 H 1 4.03 0.02 . 1 . . . . . . . . 4184 1 254 . 1 1 20 20 SER CA C 13 58.01 0.05 . 1 . . . . . . . . 4184 1 255 . 1 1 20 20 SER CB C 13 60.86 0.05 . 1 . . . . . . . . 4184 1 256 . 1 1 20 20 SER N N 15 108.95 0.05 . 1 . . . . . . . . 4184 1 257 . 1 1 21 21 PRO HA H 1 4.14 0.02 . 1 . . . . . . . . 4184 1 258 . 1 1 21 21 PRO HB2 H 1 1.51 0.02 . 2 . . . . . . . . 4184 1 259 . 1 1 21 21 PRO HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4184 1 260 . 1 1 21 21 PRO HG2 H 1 1.82 0.02 . 2 . . . . . . . . 4184 1 261 . 1 1 21 21 PRO HG3 H 1 1.45 0.02 . 2 . . . . . . . . 4184 1 262 . 1 1 21 21 PRO HD2 H 1 3.64 0.02 . 2 . . . . . . . . 4184 1 263 . 1 1 21 21 PRO HD3 H 1 3.55 0.02 . 2 . . . . . . . . 4184 1 264 . 1 1 21 21 PRO C C 13 176.50 0.05 . 1 . . . . . . . . 4184 1 265 . 1 1 21 21 PRO CA C 13 63.00 0.05 . 1 . . . . . . . . 4184 1 266 . 1 1 21 21 PRO CB C 13 32.42 0.05 . 1 . . . . . . . . 4184 1 267 . 1 1 21 21 PRO CG C 13 27.33 0.05 . 1 . . . . . . . . 4184 1 268 . 1 1 21 21 PRO CD C 13 50.42 0.05 . 1 . . . . . . . . 4184 1 269 . 1 1 22 22 VAL H H 1 8.41 0.02 . 1 . . . . . . . . 4184 1 270 . 1 1 22 22 VAL HA H 1 4.3 0.02 . 1 . . . . . . . . 4184 1 271 . 1 1 22 22 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 4184 1 272 . 1 1 22 22 VAL HG11 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 273 . 1 1 22 22 VAL HG12 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 274 . 1 1 22 22 VAL HG13 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 275 . 1 1 22 22 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 276 . 1 1 22 22 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 277 . 1 1 22 22 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4184 1 278 . 1 1 22 22 VAL C C 13 176.97 0.05 . 1 . . . . . . . . 4184 1 279 . 1 1 22 22 VAL CA C 13 61.87 0.05 . 1 . . . . . . . . 4184 1 280 . 1 1 22 22 VAL CB C 13 33.51 0.05 . 1 . . . . . . . . 4184 1 281 . 1 1 22 22 VAL CG1 C 13 21.19 0.05 . 2 . . . . . . . . 4184 1 282 . 1 1 22 22 VAL CG2 C 13 20.89 0.05 . 2 . . . . . . . . 4184 1 283 . 1 1 22 22 VAL N N 15 121.08 0.05 . 1 . . . . . . . . 4184 1 284 . 1 1 23 23 ASN H H 1 9.7 0.02 . 1 . . . . . . . . 4184 1 285 . 1 1 23 23 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 4184 1 286 . 1 1 23 23 ASN HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4184 1 287 . 1 1 23 23 ASN HB3 H 1 3 0.02 . 2 . . . . . . . . 4184 1 288 . 1 1 23 23 ASN HD21 H 1 7.02 0.02 . 1 . . . . . . . . 4184 1 289 . 1 1 23 23 ASN HD22 H 1 7.82 0.02 . 1 . . . . . . . . 4184 1 290 . 1 1 23 23 ASN C C 13 174.06 0.05 . 1 . . . . . . . . 4184 1 291 . 1 1 23 23 ASN CA C 13 54.33 0.05 . 1 . . . . . . . . 4184 1 292 . 1 1 23 23 ASN CB C 13 37.88 0.05 . 1 . . . . . . . . 4184 1 293 . 1 1 23 23 ASN N N 15 128.01 0.05 . 1 . . . . . . . . 4184 1 294 . 1 1 23 23 ASN ND2 N 15 118.53 0.05 . 1 . . . . . . . . 4184 1 295 . 1 1 24 24 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 4184 1 296 . 1 1 24 24 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 4184 1 297 . 1 1 24 24 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 4184 1 298 . 1 1 24 24 GLY C C 13 173.58 0.05 . 1 . . . . . . . . 4184 1 299 . 1 1 24 24 GLY CA C 13 44.94 0.05 . 1 . . . . . . . . 4184 1 300 . 1 1 24 24 GLY N N 15 126.08 0.05 . 1 . . . . . . . . 4184 1 301 . 1 1 25 25 PHE H H 1 7.72 0.02 . 1 . . . . . . . . 4184 1 302 . 1 1 25 25 PHE HA H 1 5.51 0.02 . 1 . . . . . . . . 4184 1 303 . 1 1 25 25 PHE HB2 H 1 3.02 0.02 . 1 . . . . . . . . 4184 1 304 . 1 1 25 25 PHE HB3 H 1 3.02 0.02 . 1 . . . . . . . . 4184 1 305 . 1 1 25 25 PHE HD1 H 1 7.2 0.02 . 1 . . . . . . . . 4184 1 306 . 1 1 25 25 PHE HD2 H 1 7.2 0.02 . 1 . . . . . . . . 4184 1 307 . 1 1 25 25 PHE HE1 H 1 7.59 0.02 . 1 . . . . . . . . 4184 1 308 . 1 1 25 25 PHE HE2 H 1 7.59 0.02 . 1 . . . . . . . . 4184 1 309 . 1 1 25 25 PHE HZ H 1 7.42 0.02 . 1 . . . . . . . . 4184 1 310 . 1 1 25 25 PHE C C 13 176.49 0.05 . 1 . . . . . . . . 4184 1 311 . 1 1 25 25 PHE CA C 13 56.86 0.05 . 1 . . . . . . . . 4184 1 312 . 1 1 25 25 PHE CB C 13 44.57 0.05 . 1 . . . . . . . . 4184 1 313 . 1 1 25 25 PHE CD1 C 13 132.60 0.05 . 1 . . . . . . . . 4184 1 314 . 1 1 25 25 PHE CD2 C 13 132.60 0.05 . 1 . . . . . . . . 4184 1 315 . 1 1 25 25 PHE CE1 C 13 131.64 0.05 . 1 . . . . . . . . 4184 1 316 . 1 1 25 25 PHE CE2 C 13 131.64 0.05 . 1 . . . . . . . . 4184 1 317 . 1 1 25 25 PHE CZ C 13 129.64 0.05 . 1 . . . . . . . . 4184 1 318 . 1 1 25 25 PHE N N 15 115.18 0.05 . 1 . . . . . . . . 4184 1 319 . 1 1 26 26 LEU H H 1 9.53 0.02 . 1 . . . . . . . . 4184 1 320 . 1 1 26 26 LEU HA H 1 4.79 0.02 . 1 . . . . . . . . 4184 1 321 . 1 1 26 26 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4184 1 322 . 1 1 26 26 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4184 1 323 . 1 1 26 26 LEU HG H 1 0.91 0.02 . 1 . . . . . . . . 4184 1 324 . 1 1 26 26 LEU HD11 H 1 0.31 0.02 . 1 . . . . . . . . 4184 1 325 . 1 1 26 26 LEU HD12 H 1 0.31 0.02 . 1 . . . . . . . . 4184 1 326 . 1 1 26 26 LEU HD13 H 1 0.31 0.02 . 1 . . . . . . . . 4184 1 327 . 1 1 26 26 LEU HD21 H 1 0.37 0.02 . 1 . . . . . . . . 4184 1 328 . 1 1 26 26 LEU HD22 H 1 0.37 0.02 . 1 . . . . . . . . 4184 1 329 . 1 1 26 26 LEU HD23 H 1 0.37 0.02 . 1 . . . . . . . . 4184 1 330 . 1 1 26 26 LEU C C 13 175.73 0.05 . 1 . . . . . . . . 4184 1 331 . 1 1 26 26 LEU CA C 13 53.15 0.05 . 1 . . . . . . . . 4184 1 332 . 1 1 26 26 LEU CB C 13 45.74 0.05 . 1 . . . . . . . . 4184 1 333 . 1 1 26 26 LEU CG C 13 26.07 0.05 . 1 . . . . . . . . 4184 1 334 . 1 1 26 26 LEU CD1 C 13 29.06 0.05 . 1 . . . . . . . . 4184 1 335 . 1 1 26 26 LEU CD2 C 13 24.27 0.05 . 1 . . . . . . . . 4184 1 336 . 1 1 26 26 LEU N N 15 121.46 0.05 . 1 . . . . . . . . 4184 1 337 . 1 1 27 27 SER H H 1 7.72 0.02 . 1 . . . . . . . . 4184 1 338 . 1 1 27 27 SER HA H 1 4.95 0.02 . 1 . . . . . . . . 4184 1 339 . 1 1 27 27 SER HB2 H 1 4.47 0.02 . 2 . . . . . . . . 4184 1 340 . 1 1 27 27 SER HB3 H 1 4.05 0.02 . 2 . . . . . . . . 4184 1 341 . 1 1 27 27 SER C C 13 176.24 0.05 . 1 . . . . . . . . 4184 1 342 . 1 1 27 27 SER CA C 13 57.06 0.05 . 1 . . . . . . . . 4184 1 343 . 1 1 27 27 SER CB C 13 64.98 0.05 . 1 . . . . . . . . 4184 1 344 . 1 1 27 27 SER N N 15 116.64 0.05 . 1 . . . . . . . . 4184 1 345 . 1 1 28 28 GLY H H 1 9.19 0.02 . 1 . . . . . . . . 4184 1 346 . 1 1 28 28 GLY HA2 H 1 3.62 0.02 . 2 . . . . . . . . 4184 1 347 . 1 1 28 28 GLY HA3 H 1 3.55 0.02 . 2 . . . . . . . . 4184 1 348 . 1 1 28 28 GLY C C 13 175.53 0.05 . 1 . . . . . . . . 4184 1 349 . 1 1 28 28 GLY CA C 13 48.50 0.05 . 1 . . . . . . . . 4184 1 350 . 1 1 28 28 GLY N N 15 109.28 0.05 . 1 . . . . . . . . 4184 1 351 . 1 1 29 29 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 4184 1 352 . 1 1 29 29 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 4184 1 353 . 1 1 29 29 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4184 1 354 . 1 1 29 29 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4184 1 355 . 1 1 29 29 ASP C C 13 177.70 0.05 . 1 . . . . . . . . 4184 1 356 . 1 1 29 29 ASP CA C 13 56.39 0.05 . 1 . . . . . . . . 4184 1 357 . 1 1 29 29 ASP CB C 13 40.08 0.05 . 1 . . . . . . . . 4184 1 358 . 1 1 29 29 ASP N N 15 117.76 0.05 . 1 . . . . . . . . 4184 1 359 . 1 1 30 30 LYS H H 1 7.46 0.02 . 1 . . . . . . . . 4184 1 360 . 1 1 30 30 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 4184 1 361 . 1 1 30 30 LYS HB2 H 1 2 0.02 . 2 . . . . . . . . 4184 1 362 . 1 1 30 30 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4184 1 363 . 1 1 30 30 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 4184 1 364 . 1 1 30 30 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 4184 1 365 . 1 1 30 30 LYS HD2 H 1 1.94 0.02 . 2 . . . . . . . . 4184 1 366 . 1 1 30 30 LYS HD3 H 1 1.72 0.02 . 2 . . . . . . . . 4184 1 367 . 1 1 30 30 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 4184 1 368 . 1 1 30 30 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 4184 1 369 . 1 1 30 30 LYS C C 13 177.85 0.05 . 1 . . . . . . . . 4184 1 370 . 1 1 30 30 LYS CA C 13 57.74 0.05 . 1 . . . . . . . . 4184 1 371 . 1 1 30 30 LYS CB C 13 34.49 0.05 . 1 . . . . . . . . 4184 1 372 . 1 1 30 30 LYS CG C 13 26.06 0.05 . 1 . . . . . . . . 4184 1 373 . 1 1 30 30 LYS CD C 13 30.01 0.05 . 1 . . . . . . . . 4184 1 374 . 1 1 30 30 LYS CE C 13 42.57 0.05 . 1 . . . . . . . . 4184 1 375 . 1 1 30 30 LYS N N 15 117.23 0.05 . 1 . . . . . . . . 4184 1 376 . 1 1 31 31 VAL H H 1 7.69 0.02 . 1 . . . . . . . . 4184 1 377 . 1 1 31 31 VAL HA H 1 4.01 0.02 . 1 . . . . . . . . 4184 1 378 . 1 1 31 31 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4184 1 379 . 1 1 31 31 VAL HG11 H 1 1.3 0.02 . 1 . . . . . . . . 4184 1 380 . 1 1 31 31 VAL HG12 H 1 1.3 0.02 . 1 . . . . . . . . 4184 1 381 . 1 1 31 31 VAL HG13 H 1 1.3 0.02 . 1 . . . . . . . . 4184 1 382 . 1 1 31 31 VAL HG21 H 1 1.36 0.02 . 1 . . . . . . . . 4184 1 383 . 1 1 31 31 VAL HG22 H 1 1.36 0.02 . 1 . . . . . . . . 4184 1 384 . 1 1 31 31 VAL HG23 H 1 1.36 0.02 . 1 . . . . . . . . 4184 1 385 . 1 1 31 31 VAL C C 13 176.97 0.05 . 1 . . . . . . . . 4184 1 386 . 1 1 31 31 VAL CA C 13 64.82 0.05 . 1 . . . . . . . . 4184 1 387 . 1 1 31 31 VAL CB C 13 33.80 0.05 . 1 . . . . . . . . 4184 1 388 . 1 1 31 31 VAL CG1 C 13 21.63 0.05 . 1 . . . . . . . . 4184 1 389 . 1 1 31 31 VAL CG2 C 13 24.47 0.05 . 1 . . . . . . . . 4184 1 390 . 1 1 31 31 VAL N N 15 116.26 0.05 . 1 . . . . . . . . 4184 1 391 . 1 1 32 32 LYS H H 1 8.54 0.02 . 1 . . . . . . . . 4184 1 392 . 1 1 32 32 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 4184 1 393 . 1 1 32 32 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4184 1 394 . 1 1 32 32 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 4184 1 395 . 1 1 32 32 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 4184 1 396 . 1 1 32 32 LYS HG3 H 1 1.24 0.02 . 2 . . . . . . . . 4184 1 397 . 1 1 32 32 LYS HD2 H 1 1.44 0.02 . 2 . . . . . . . . 4184 1 398 . 1 1 32 32 LYS HD3 H 1 1.35 0.02 . 2 . . . . . . . . 4184 1 399 . 1 1 32 32 LYS HE2 H 1 2.26 0.02 . 2 . . . . . . . . 4184 1 400 . 1 1 32 32 LYS HE3 H 1 2.07 0.02 . 2 . . . . . . . . 4184 1 401 . 1 1 32 32 LYS CA C 13 62.71 0.05 . 1 . . . . . . . . 4184 1 402 . 1 1 32 32 LYS CB C 13 29.90 0.05 . 1 . . . . . . . . 4184 1 403 . 1 1 32 32 LYS CG C 13 26.76 0.05 . 1 . . . . . . . . 4184 1 404 . 1 1 32 32 LYS CD C 13 29.51 0.05 . 1 . . . . . . . . 4184 1 405 . 1 1 32 32 LYS CE C 13 41.14 0.05 . 1 . . . . . . . . 4184 1 406 . 1 1 32 32 LYS N N 15 120.76 0.05 . 1 . . . . . . . . 4184 1 407 . 1 1 33 33 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . 4184 1 408 . 1 1 33 33 PRO HB2 H 1 2.4 0.02 . 2 . . . . . . . . 4184 1 409 . 1 1 33 33 PRO HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4184 1 410 . 1 1 33 33 PRO HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4184 1 411 . 1 1 33 33 PRO HG3 H 1 1.97 0.02 . 2 . . . . . . . . 4184 1 412 . 1 1 33 33 PRO HD2 H 1 3.62 0.02 . 2 . . . . . . . . 4184 1 413 . 1 1 33 33 PRO HD3 H 1 3.46 0.02 . 2 . . . . . . . . 4184 1 414 . 1 1 33 33 PRO C C 13 179.05 0.05 . 1 . . . . . . . . 4184 1 415 . 1 1 33 33 PRO CA C 13 66.41 0.05 . 1 . . . . . . . . 4184 1 416 . 1 1 33 33 PRO CB C 13 31.42 0.05 . 1 . . . . . . . . 4184 1 417 . 1 1 33 33 PRO CG C 13 28.61 0.05 . 1 . . . . . . . . 4184 1 418 . 1 1 33 33 PRO CD C 13 50.88 0.05 . 1 . . . . . . . . 4184 1 419 . 1 1 34 34 VAL H H 1 7.03 0.02 . 1 . . . . . . . . 4184 1 420 . 1 1 34 34 VAL HA H 1 3.88 0.02 . 1 . . . . . . . . 4184 1 421 . 1 1 34 34 VAL HB H 1 2.46 0.02 . 1 . . . . . . . . 4184 1 422 . 1 1 34 34 VAL HG11 H 1 1.13 0.02 . 1 . . . . . . . . 4184 1 423 . 1 1 34 34 VAL HG12 H 1 1.13 0.02 . 1 . . . . . . . . 4184 1 424 . 1 1 34 34 VAL HG13 H 1 1.13 0.02 . 1 . . . . . . . . 4184 1 425 . 1 1 34 34 VAL HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4184 1 426 . 1 1 34 34 VAL HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4184 1 427 . 1 1 34 34 VAL HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4184 1 428 . 1 1 34 34 VAL C C 13 179.31 0.05 . 1 . . . . . . . . 4184 1 429 . 1 1 34 34 VAL CA C 13 65.32 0.05 . 1 . . . . . . . . 4184 1 430 . 1 1 34 34 VAL CB C 13 31.94 0.05 . 1 . . . . . . . . 4184 1 431 . 1 1 34 34 VAL CG1 C 13 21.28 0.05 . 1 . . . . . . . . 4184 1 432 . 1 1 34 34 VAL CG2 C 13 23.10 0.05 . 1 . . . . . . . . 4184 1 433 . 1 1 34 34 VAL N N 15 116.29 0.05 . 1 . . . . . . . . 4184 1 434 . 1 1 35 35 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 4184 1 435 . 1 1 35 35 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 4184 1 436 . 1 1 35 35 LEU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4184 1 437 . 1 1 35 35 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4184 1 438 . 1 1 35 35 LEU HG H 1 1.96 0.02 . 1 . . . . . . . . 4184 1 439 . 1 1 35 35 LEU HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 440 . 1 1 35 35 LEU HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 441 . 1 1 35 35 LEU HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 442 . 1 1 35 35 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 4184 1 443 . 1 1 35 35 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 4184 1 444 . 1 1 35 35 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 4184 1 445 . 1 1 35 35 LEU C C 13 179.86 0.05 . 1 . . . . . . . . 4184 1 446 . 1 1 35 35 LEU CA C 13 57.80 0.05 . 1 . . . . . . . . 4184 1 447 . 1 1 35 35 LEU CB C 13 40.59 0.05 . 1 . . . . . . . . 4184 1 448 . 1 1 35 35 LEU CG C 13 26.83 0.05 . 1 . . . . . . . . 4184 1 449 . 1 1 35 35 LEU CD1 C 13 25.34 0.05 . 1 . . . . . . . . 4184 1 450 . 1 1 35 35 LEU CD2 C 13 22.17 0.05 . 1 . . . . . . . . 4184 1 451 . 1 1 35 35 LEU N N 15 118.98 0.05 . 1 . . . . . . . . 4184 1 452 . 1 1 36 36 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 4184 1 453 . 1 1 36 36 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4184 1 454 . 1 1 36 36 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4184 1 455 . 1 1 36 36 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4184 1 456 . 1 1 36 36 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 4184 1 457 . 1 1 36 36 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 458 . 1 1 36 36 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 459 . 1 1 36 36 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 460 . 1 1 36 36 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 461 . 1 1 36 36 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 462 . 1 1 36 36 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 4184 1 463 . 1 1 36 36 LEU C C 13 180.14 0.05 . 1 . . . . . . . . 4184 1 464 . 1 1 36 36 LEU CA C 13 57.94 0.05 . 1 . . . . . . . . 4184 1 465 . 1 1 36 36 LEU CB C 13 41.66 0.05 . 1 . . . . . . . . 4184 1 466 . 1 1 36 36 LEU CG C 13 27.11 0.05 . 1 . . . . . . . . 4184 1 467 . 1 1 36 36 LEU CD1 C 13 25.22 0.05 . 1 . . . . . . . . 4184 1 468 . 1 1 36 36 LEU CD2 C 13 23.35 0.05 . 1 . . . . . . . . 4184 1 469 . 1 1 36 36 LEU N N 15 120.82 0.05 . 1 . . . . . . . . 4184 1 470 . 1 1 37 37 ASN H H 1 7.78 0.02 . 1 . . . . . . . . 4184 1 471 . 1 1 37 37 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 4184 1 472 . 1 1 37 37 ASN HB2 H 1 2.98 0.02 . 1 . . . . . . . . 4184 1 473 . 1 1 37 37 ASN HB3 H 1 2.98 0.02 . 1 . . . . . . . . 4184 1 474 . 1 1 37 37 ASN HD21 H 1 6.98 0.02 . 1 . . . . . . . . 4184 1 475 . 1 1 37 37 ASN HD22 H 1 7.7 0.02 . 1 . . . . . . . . 4184 1 476 . 1 1 37 37 ASN C C 13 175.75 0.05 . 1 . . . . . . . . 4184 1 477 . 1 1 37 37 ASN CA C 13 55.04 0.05 . 1 . . . . . . . . 4184 1 478 . 1 1 37 37 ASN CB C 13 38.34 0.05 . 1 . . . . . . . . 4184 1 479 . 1 1 37 37 ASN N N 15 118.3 0.05 . 1 . . . . . . . . 4184 1 480 . 1 1 37 37 ASN ND2 N 15 117.82 0.05 . 1 . . . . . . . . 4184 1 481 . 1 1 38 38 SER H H 1 7.7 0.02 . 1 . . . . . . . . 4184 1 482 . 1 1 38 38 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4184 1 483 . 1 1 38 38 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4184 1 484 . 1 1 38 38 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . 4184 1 485 . 1 1 38 38 SER C C 13 174.67 0.05 . 1 . . . . . . . . 4184 1 486 . 1 1 38 38 SER CA C 13 61.08 0.05 . 1 . . . . . . . . 4184 1 487 . 1 1 38 38 SER CB C 13 64.91 0.05 . 1 . . . . . . . . 4184 1 488 . 1 1 38 38 SER N N 15 114.53 0.05 . 1 . . . . . . . . 4184 1 489 . 1 1 39 39 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 4184 1 490 . 1 1 39 39 LYS HA H 1 4 0.02 . 1 . . . . . . . . 4184 1 491 . 1 1 39 39 LYS HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4184 1 492 . 1 1 39 39 LYS HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4184 1 493 . 1 1 39 39 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4184 1 494 . 1 1 39 39 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 4184 1 495 . 1 1 39 39 LYS HD2 H 1 1.75 0.02 . 2 . . . . . . . . 4184 1 496 . 1 1 39 39 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 4184 1 497 . 1 1 39 39 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 4184 1 498 . 1 1 39 39 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 4184 1 499 . 1 1 39 39 LYS C C 13 175.85 0.05 . 1 . . . . . . . . 4184 1 500 . 1 1 39 39 LYS CA C 13 57.98 0.05 . 1 . . . . . . . . 4184 1 501 . 1 1 39 39 LYS CB C 13 29.17 0.05 . 1 . . . . . . . . 4184 1 502 . 1 1 39 39 LYS CG C 13 24.95 0.05 . 1 . . . . . . . . 4184 1 503 . 1 1 39 39 LYS CD C 13 28.69 0.05 . 1 . . . . . . . . 4184 1 504 . 1 1 39 39 LYS CE C 13 42.34 0.05 . 1 . . . . . . . . 4184 1 505 . 1 1 39 39 LYS N N 15 112.59 0.05 . 1 . . . . . . . . 4184 1 506 . 1 1 40 40 LEU H H 1 7.54 0.02 . 1 . . . . . . . . 4184 1 507 . 1 1 40 40 LEU HA H 1 4.46 0.02 . 1 . . . . . . . . 4184 1 508 . 1 1 40 40 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 4184 1 509 . 1 1 40 40 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 4184 1 510 . 1 1 40 40 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 4184 1 511 . 1 1 40 40 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 512 . 1 1 40 40 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 513 . 1 1 40 40 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 514 . 1 1 40 40 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 515 . 1 1 40 40 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 516 . 1 1 40 40 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 517 . 1 1 40 40 LEU CA C 13 53.66 0.05 . 1 . . . . . . . . 4184 1 518 . 1 1 40 40 LEU CB C 13 41.71 0.05 . 1 . . . . . . . . 4184 1 519 . 1 1 40 40 LEU CG C 13 27.53 0.05 . 1 . . . . . . . . 4184 1 520 . 1 1 40 40 LEU CD1 C 13 26.69 0.05 . 1 . . . . . . . . 4184 1 521 . 1 1 40 40 LEU CD2 C 13 23.49 0.05 . 1 . . . . . . . . 4184 1 522 . 1 1 40 40 LEU N N 15 121.11 0.05 . 1 . . . . . . . . 4184 1 523 . 1 1 41 41 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 4184 1 524 . 1 1 41 41 PRO HB2 H 1 2.51 0.02 . 2 . . . . . . . . 4184 1 525 . 1 1 41 41 PRO HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4184 1 526 . 1 1 41 41 PRO HG2 H 1 2.15 0.02 . 1 . . . . . . . . 4184 1 527 . 1 1 41 41 PRO HG3 H 1 2.15 0.02 . 1 . . . . . . . . 4184 1 528 . 1 1 41 41 PRO HD2 H 1 3.94 0.02 . 2 . . . . . . . . 4184 1 529 . 1 1 41 41 PRO HD3 H 1 3.42 0.02 . 2 . . . . . . . . 4184 1 530 . 1 1 41 41 PRO C C 13 178.43 0.05 . 1 . . . . . . . . 4184 1 531 . 1 1 41 41 PRO CA C 13 62.64 0.05 . 1 . . . . . . . . 4184 1 532 . 1 1 41 41 PRO CB C 13 32.83 0.05 . 1 . . . . . . . . 4184 1 533 . 1 1 41 41 PRO CG C 13 28.18 0.05 . 1 . . . . . . . . 4184 1 534 . 1 1 41 41 PRO CD C 13 50.44 0.05 . 1 . . . . . . . . 4184 1 535 . 1 1 42 42 VAL H H 1 8.55 0.02 . 1 . . . . . . . . 4184 1 536 . 1 1 42 42 VAL HA H 1 3.68 0.02 . 1 . . . . . . . . 4184 1 537 . 1 1 42 42 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4184 1 538 . 1 1 42 42 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4184 1 539 . 1 1 42 42 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4184 1 540 . 1 1 42 42 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4184 1 541 . 1 1 42 42 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 4184 1 542 . 1 1 42 42 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 4184 1 543 . 1 1 42 42 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 4184 1 544 . 1 1 42 42 VAL C C 13 178.05 0.05 . 1 . . . . . . . . 4184 1 545 . 1 1 42 42 VAL CA C 13 66.14 0.05 . 1 . . . . . . . . 4184 1 546 . 1 1 42 42 VAL CB C 13 31.81 0.05 . 1 . . . . . . . . 4184 1 547 . 1 1 42 42 VAL CG1 C 13 21.07 0.05 . 2 . . . . . . . . 4184 1 548 . 1 1 42 42 VAL CG2 C 13 20.98 0.05 . 2 . . . . . . . . 4184 1 549 . 1 1 42 42 VAL N N 15 119.92 0.05 . 1 . . . . . . . . 4184 1 550 . 1 1 43 43 ASP H H 1 8.95 0.02 . 1 . . . . . . . . 4184 1 551 . 1 1 43 43 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 4184 1 552 . 1 1 43 43 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4184 1 553 . 1 1 43 43 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4184 1 554 . 1 1 43 43 ASP C C 13 179.24 0.05 . 1 . . . . . . . . 4184 1 555 . 1 1 43 43 ASP CA C 13 56.55 0.05 . 1 . . . . . . . . 4184 1 556 . 1 1 43 43 ASP CB C 13 39.27 0.05 . 1 . . . . . . . . 4184 1 557 . 1 1 43 43 ASP N N 15 119.83 0.05 . 1 . . . . . . . . 4184 1 558 . 1 1 44 44 ILE H H 1 7.3 0.02 . 1 . . . . . . . . 4184 1 559 . 1 1 44 44 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 4184 1 560 . 1 1 44 44 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4184 1 561 . 1 1 44 44 ILE HG12 H 1 1.65 0.02 . 2 . . . . . . . . 4184 1 562 . 1 1 44 44 ILE HG13 H 1 1.38 0.02 . 2 . . . . . . . . 4184 1 563 . 1 1 44 44 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 564 . 1 1 44 44 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 565 . 1 1 44 44 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4184 1 566 . 1 1 44 44 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4184 1 567 . 1 1 44 44 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4184 1 568 . 1 1 44 44 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4184 1 569 . 1 1 44 44 ILE C C 13 177.85 0.05 . 1 . . . . . . . . 4184 1 570 . 1 1 44 44 ILE CA C 13 63.39 0.05 . 1 . . . . . . . . 4184 1 571 . 1 1 44 44 ILE CB C 13 37.06 0.05 . 1 . . . . . . . . 4184 1 572 . 1 1 44 44 ILE CG1 C 13 28.19 0.05 . 1 . . . . . . . . 4184 1 573 . 1 1 44 44 ILE CG2 C 13 17.72 0.05 . 1 . . . . . . . . 4184 1 574 . 1 1 44 44 ILE CD1 C 13 11.45 0.05 . 1 . . . . . . . . 4184 1 575 . 1 1 44 44 ILE N N 15 122.08 0.05 . 1 . . . . . . . . 4184 1 576 . 1 1 45 45 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4184 1 577 . 1 1 45 45 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 4184 1 578 . 1 1 45 45 LEU HB2 H 1 1.9 0.02 . 2 . . . . . . . . 4184 1 579 . 1 1 45 45 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4184 1 580 . 1 1 45 45 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4184 1 581 . 1 1 45 45 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 582 . 1 1 45 45 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 583 . 1 1 45 45 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4184 1 584 . 1 1 45 45 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 4184 1 585 . 1 1 45 45 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 4184 1 586 . 1 1 45 45 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 4184 1 587 . 1 1 45 45 LEU C C 13 179.99 0.05 . 1 . . . . . . . . 4184 1 588 . 1 1 45 45 LEU CA C 13 57.87 0.05 . 1 . . . . . . . . 4184 1 589 . 1 1 45 45 LEU CB C 13 41.24 0.05 . 1 . . . . . . . . 4184 1 590 . 1 1 45 45 LEU CG C 13 25.72 0.05 . 1 . . . . . . . . 4184 1 591 . 1 1 45 45 LEU CD1 C 13 26.35 0.05 . 1 . . . . . . . . 4184 1 592 . 1 1 45 45 LEU CD2 C 13 23.02 0.05 . 1 . . . . . . . . 4184 1 593 . 1 1 45 45 LEU N N 15 119.08 0.05 . 1 . . . . . . . . 4184 1 594 . 1 1 46 46 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4184 1 595 . 1 1 46 46 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4184 1 596 . 1 1 46 46 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 4184 1 597 . 1 1 46 46 GLY C C 13 176.22 0.05 . 1 . . . . . . . . 4184 1 598 . 1 1 46 46 GLY CA C 13 47.33 0.05 . 1 . . . . . . . . 4184 1 599 . 1 1 46 46 GLY N N 15 107.84 0.05 . 1 . . . . . . . . 4184 1 600 . 1 1 47 47 ARG H H 1 7.46 0.02 . 1 . . . . . . . . 4184 1 601 . 1 1 47 47 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4184 1 602 . 1 1 47 47 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4184 1 603 . 1 1 47 47 ARG HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4184 1 604 . 1 1 47 47 ARG HG2 H 1 1.87 0.02 . 2 . . . . . . . . 4184 1 605 . 1 1 47 47 ARG HG3 H 1 1.7 0.02 . 2 . . . . . . . . 4184 1 606 . 1 1 47 47 ARG HD2 H 1 3.32 0.02 . 1 . . . . . . . . 4184 1 607 . 1 1 47 47 ARG HD3 H 1 3.32 0.02 . 1 . . . . . . . . 4184 1 608 . 1 1 47 47 ARG HE H 1 7.08 0.02 . 2 . . . . . . . . 4184 1 609 . 1 1 47 47 ARG C C 13 178.04 0.05 . 1 . . . . . . . . 4184 1 610 . 1 1 47 47 ARG CA C 13 59.33 0.05 . 1 . . . . . . . . 4184 1 611 . 1 1 47 47 ARG CB C 13 29.88 0.05 . 1 . . . . . . . . 4184 1 612 . 1 1 47 47 ARG CG C 13 27.83 0.05 . 1 . . . . . . . . 4184 1 613 . 1 1 47 47 ARG CD C 13 43.75 0.05 . 1 . . . . . . . . 4184 1 614 . 1 1 47 47 ARG N N 15 123.1 0.05 . 1 . . . . . . . . 4184 1 615 . 1 1 47 47 ARG NE N 15 114.77 0.05 . 1 . . . . . . . . 4184 1 616 . 1 1 48 48 VAL H H 1 8.48 0.02 . 1 . . . . . . . . 4184 1 617 . 1 1 48 48 VAL HA H 1 3.44 0.02 . 1 . . . . . . . . 4184 1 618 . 1 1 48 48 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . 4184 1 619 . 1 1 48 48 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 4184 1 620 . 1 1 48 48 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 4184 1 621 . 1 1 48 48 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 4184 1 622 . 1 1 48 48 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4184 1 623 . 1 1 48 48 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4184 1 624 . 1 1 48 48 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4184 1 625 . 1 1 48 48 VAL C C 13 178.52 0.05 . 1 . . . . . . . . 4184 1 626 . 1 1 48 48 VAL CA C 13 67.63 0.05 . 1 . . . . . . . . 4184 1 627 . 1 1 48 48 VAL CB C 13 31.42 0.05 . 1 . . . . . . . . 4184 1 628 . 1 1 48 48 VAL CG1 C 13 21.90 0.05 . 1 . . . . . . . . 4184 1 629 . 1 1 48 48 VAL CG2 C 13 23.28 0.05 . 1 . . . . . . . . 4184 1 630 . 1 1 48 48 VAL N N 15 118.8 0.05 . 1 . . . . . . . . 4184 1 631 . 1 1 49 49 TRP H H 1 8.13 0.02 . 1 . . . . . . . . 4184 1 632 . 1 1 49 49 TRP HA H 1 3.95 0.02 . 1 . . . . . . . . 4184 1 633 . 1 1 49 49 TRP HB2 H 1 3.47 0.02 . 2 . . . . . . . . 4184 1 634 . 1 1 49 49 TRP HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4184 1 635 . 1 1 49 49 TRP HD1 H 1 7.27 0.02 . 1 . . . . . . . . 4184 1 636 . 1 1 49 49 TRP HE1 H 1 10.4 0.02 . 1 . . . . . . . . 4184 1 637 . 1 1 49 49 TRP HE3 H 1 7.33 0.02 . 1 . . . . . . . . 4184 1 638 . 1 1 49 49 TRP HZ2 H 1 7.25 0.02 . 1 . . . . . . . . 4184 1 639 . 1 1 49 49 TRP HZ3 H 1 6.85 0.02 . 1 . . . . . . . . 4184 1 640 . 1 1 49 49 TRP HH2 H 1 6.93 0.02 . 1 . . . . . . . . 4184 1 641 . 1 1 49 49 TRP C C 13 175.57 0.05 . 1 . . . . . . . . 4184 1 642 . 1 1 49 49 TRP CA C 13 61.42 0.05 . 1 . . . . . . . . 4184 1 643 . 1 1 49 49 TRP CB C 13 28.64 0.05 . 1 . . . . . . . . 4184 1 644 . 1 1 49 49 TRP CD1 C 13 127.75 0.05 . 1 . . . . . . . . 4184 1 645 . 1 1 49 49 TRP CE2 C 13 118.37 0.05 . 1 . . . . . . . . 4184 1 646 . 1 1 49 49 TRP CZ2 C 13 114.38 0.05 . 1 . . . . . . . . 4184 1 647 . 1 1 49 49 TRP CZ3 C 13 121.07 0.05 . 1 . . . . . . . . 4184 1 648 . 1 1 49 49 TRP CH2 C 13 123.27 0.05 . 1 . . . . . . . . 4184 1 649 . 1 1 49 49 TRP N N 15 120.18 0.05 . 1 . . . . . . . . 4184 1 650 . 1 1 49 49 TRP NE1 N 15 134.91 0.05 . 1 . . . . . . . . 4184 1 651 . 1 1 50 50 GLU H H 1 7.87 0.02 . 1 . . . . . . . . 4184 1 652 . 1 1 50 50 GLU HA H 1 3.9 0.02 . 1 . . . . . . . . 4184 1 653 . 1 1 50 50 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4184 1 654 . 1 1 50 50 GLU HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4184 1 655 . 1 1 50 50 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 4184 1 656 . 1 1 50 50 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 4184 1 657 . 1 1 50 50 GLU C C 13 179.69 0.05 . 1 . . . . . . . . 4184 1 658 . 1 1 50 50 GLU CA C 13 59.25 0.05 . 1 . . . . . . . . 4184 1 659 . 1 1 50 50 GLU CB C 13 30.02 0.05 . 1 . . . . . . . . 4184 1 660 . 1 1 50 50 GLU CG C 13 36.48 0.05 . 1 . . . . . . . . 4184 1 661 . 1 1 50 50 GLU N N 15 115.51 0.05 . 1 . . . . . . . . 4184 1 662 . 1 1 51 51 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 4184 1 663 . 1 1 51 51 LEU HA H 1 4.02 0.02 . 1 . . . . . . . . 4184 1 664 . 1 1 51 51 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4184 1 665 . 1 1 51 51 LEU HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4184 1 666 . 1 1 51 51 LEU HG H 1 1.84 0.02 . 1 . . . . . . . . 4184 1 667 . 1 1 51 51 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 668 . 1 1 51 51 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 669 . 1 1 51 51 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 670 . 1 1 51 51 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 671 . 1 1 51 51 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 672 . 1 1 51 51 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 673 . 1 1 51 51 LEU C C 13 177.9 0.05 . 1 . . . . . . . . 4184 1 674 . 1 1 51 51 LEU CA C 13 56.7 0.05 . 1 . . . . . . . . 4184 1 675 . 1 1 51 51 LEU CB C 13 43.52 0.05 . 1 . . . . . . . . 4184 1 676 . 1 1 51 51 LEU CG C 13 27.1 0.05 . 1 . . . . . . . . 4184 1 677 . 1 1 51 51 LEU CD1 C 13 26.14 0.05 . 1 . . . . . . . . 4184 1 678 . 1 1 51 51 LEU CD2 C 13 23.13 0.05 . 1 . . . . . . . . 4184 1 679 . 1 1 51 51 LEU N N 15 116.37 0.05 . 1 . . . . . . . . 4184 1 680 . 1 1 52 52 SER H H 1 7.42 0.02 . 1 . . . . . . . . 4184 1 681 . 1 1 52 52 SER HA H 1 4.13 0.02 . 1 . . . . . . . . 4184 1 682 . 1 1 52 52 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 4184 1 683 . 1 1 52 52 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 4184 1 684 . 1 1 52 52 SER C C 13 173.73 0.05 . 1 . . . . . . . . 4184 1 685 . 1 1 52 52 SER CA C 13 61.86 0.05 . 1 . . . . . . . . 4184 1 686 . 1 1 52 52 SER CB C 13 63.32 0.05 . 1 . . . . . . . . 4184 1 687 . 1 1 52 52 SER N N 15 111.95 0.05 . 1 . . . . . . . . 4184 1 688 . 1 1 53 53 ASP H H 1 7.09 0.02 . 1 . . . . . . . . 4184 1 689 . 1 1 53 53 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4184 1 690 . 1 1 53 53 ASP HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4184 1 691 . 1 1 53 53 ASP HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4184 1 692 . 1 1 53 53 ASP C C 13 177.83 0.05 . 1 . . . . . . . . 4184 1 693 . 1 1 53 53 ASP CA C 13 51.78 0.05 . 1 . . . . . . . . 4184 1 694 . 1 1 53 53 ASP CB C 13 36.70 0.05 . 1 . . . . . . . . 4184 1 695 . 1 1 53 53 ASP N N 15 117 0.05 . 1 . . . . . . . . 4184 1 696 . 1 1 54 54 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 4184 1 697 . 1 1 54 54 ILE HA H 1 3.4 0.02 . 1 . . . . . . . . 4184 1 698 . 1 1 54 54 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 4184 1 699 . 1 1 54 54 ILE HG12 H 1 2.09 0.02 . 2 . . . . . . . . 4184 1 700 . 1 1 54 54 ILE HG13 H 1 1.26 0.02 . 2 . . . . . . . . 4184 1 701 . 1 1 54 54 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 702 . 1 1 54 54 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 703 . 1 1 54 54 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4184 1 704 . 1 1 54 54 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4184 1 705 . 1 1 54 54 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4184 1 706 . 1 1 54 54 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4184 1 707 . 1 1 54 54 ILE C C 13 176.95 0.05 . 1 . . . . . . . . 4184 1 708 . 1 1 54 54 ILE CA C 13 64.61 0.05 . 1 . . . . . . . . 4184 1 709 . 1 1 54 54 ILE CB C 13 39.82 0.05 . 1 . . . . . . . . 4184 1 710 . 1 1 54 54 ILE CG1 C 13 29.97 0.05 . 1 . . . . . . . . 4184 1 711 . 1 1 54 54 ILE CG2 C 13 17.32 0.05 . 1 . . . . . . . . 4184 1 712 . 1 1 54 54 ILE CD1 C 13 15.41 0.05 . 1 . . . . . . . . 4184 1 713 . 1 1 54 54 ILE N N 15 127.9 0.05 . 1 . . . . . . . . 4184 1 714 . 1 1 55 55 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 4184 1 715 . 1 1 55 55 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 4184 1 716 . 1 1 55 55 ASP HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4184 1 717 . 1 1 55 55 ASP HB3 H 1 2.37 0.02 . 2 . . . . . . . . 4184 1 718 . 1 1 55 55 ASP C C 13 176.05 0.05 . 1 . . . . . . . . 4184 1 719 . 1 1 55 55 ASP CA C 13 52.43 0.05 . 1 . . . . . . . . 4184 1 720 . 1 1 55 55 ASP CB C 13 40.00 0.05 . 1 . . . . . . . . 4184 1 721 . 1 1 55 55 ASP N N 15 113.45 0.05 . 1 . . . . . . . . 4184 1 722 . 1 1 56 56 HIS H H 1 7.55 0.02 . 1 . . . . . . . . 4184 1 723 . 1 1 56 56 HIS HA H 1 4.27 0.02 . 1 . . . . . . . . 4184 1 724 . 1 1 56 56 HIS HB2 H 1 3.47 0.02 . 2 . . . . . . . . 4184 1 725 . 1 1 56 56 HIS HB3 H 1 3.39 0.02 . 2 . . . . . . . . 4184 1 726 . 1 1 56 56 HIS HD2 H 1 7.3 0.02 . 1 . . . . . . . . 4184 1 727 . 1 1 56 56 HIS HE1 H 1 8.65 0.02 . 1 . . . . . . . . 4184 1 728 . 1 1 56 56 HIS C C 13 174.27 0.05 . 1 . . . . . . . . 4184 1 729 . 1 1 56 56 HIS CA C 13 56.92 0.05 . 1 . . . . . . . . 4184 1 730 . 1 1 56 56 HIS CB C 13 26.44 0.05 . 1 . . . . . . . . 4184 1 731 . 1 1 56 56 HIS CD2 C 13 120.31 0.05 . 1 . . . . . . . . 4184 1 732 . 1 1 56 56 HIS N N 15 113.33 0.05 . 1 . . . . . . . . 4184 1 733 . 1 1 57 57 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 4184 1 734 . 1 1 57 57 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . 4184 1 735 . 1 1 57 57 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4184 1 736 . 1 1 57 57 ASP HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4184 1 737 . 1 1 57 57 ASP C C 13 178.13 0.05 . 1 . . . . . . . . 4184 1 738 . 1 1 57 57 ASP CA C 13 53.51 0.05 . 1 . . . . . . . . 4184 1 739 . 1 1 57 57 ASP CB C 13 40.67 0.05 . 1 . . . . . . . . 4184 1 740 . 1 1 57 57 ASP N N 15 119.12 0.05 . 1 . . . . . . . . 4184 1 741 . 1 1 58 58 GLY H H 1 10.74 0.02 . 1 . . . . . . . . 4184 1 742 . 1 1 58 58 GLY HA2 H 1 4.33 0.02 . 2 . . . . . . . . 4184 1 743 . 1 1 58 58 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4184 1 744 . 1 1 58 58 GLY C C 13 172.99 0.05 . 1 . . . . . . . . 4184 1 745 . 1 1 58 58 GLY CA C 13 46.06 0.05 . 1 . . . . . . . . 4184 1 746 . 1 1 58 58 GLY N N 15 113.51 0.05 . 1 . . . . . . . . 4184 1 747 . 1 1 59 59 MET H H 1 8.22 0.02 . 1 . . . . . . . . 4184 1 748 . 1 1 59 59 MET HA H 1 5.3 0.02 . 1 . . . . . . . . 4184 1 749 . 1 1 59 59 MET HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4184 1 750 . 1 1 59 59 MET HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4184 1 751 . 1 1 59 59 MET HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4184 1 752 . 1 1 59 59 MET HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4184 1 753 . 1 1 59 59 MET HE1 H 1 1.83 0.02 . 1 . . . . . . . . 4184 1 754 . 1 1 59 59 MET HE2 H 1 1.83 0.02 . 1 . . . . . . . . 4184 1 755 . 1 1 59 59 MET HE3 H 1 1.83 0.02 . 1 . . . . . . . . 4184 1 756 . 1 1 59 59 MET C C 13 174.89 0.05 . 1 . . . . . . . . 4184 1 757 . 1 1 59 59 MET CA C 13 53.08 0.05 . 1 . . . . . . . . 4184 1 758 . 1 1 59 59 MET CB C 13 36.70 0.05 . 1 . . . . . . . . 4184 1 759 . 1 1 59 59 MET CG C 13 32.17 0.05 . 1 . . . . . . . . 4184 1 760 . 1 1 59 59 MET CE C 13 17.76 0.05 . 1 . . . . . . . . 4184 1 761 . 1 1 59 59 MET N N 15 118.16 0.05 . 1 . . . . . . . . 4184 1 762 . 1 1 60 60 LEU H H 1 9.48 0.02 . 1 . . . . . . . . 4184 1 763 . 1 1 60 60 LEU HA H 1 5.9 0.02 . 1 . . . . . . . . 4184 1 764 . 1 1 60 60 LEU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4184 1 765 . 1 1 60 60 LEU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4184 1 766 . 1 1 60 60 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 4184 1 767 . 1 1 60 60 LEU HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 768 . 1 1 60 60 LEU HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 769 . 1 1 60 60 LEU HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 770 . 1 1 60 60 LEU HD21 H 1 0.14 0.02 . 1 . . . . . . . . 4184 1 771 . 1 1 60 60 LEU HD22 H 1 0.14 0.02 . 1 . . . . . . . . 4184 1 772 . 1 1 60 60 LEU HD23 H 1 0.14 0.02 . 1 . . . . . . . . 4184 1 773 . 1 1 60 60 LEU C C 13 177.48 0.05 . 1 . . . . . . . . 4184 1 774 . 1 1 60 60 LEU CA C 13 53.56 0.05 . 1 . . . . . . . . 4184 1 775 . 1 1 60 60 LEU CB C 13 43.11 0.05 . 1 . . . . . . . . 4184 1 776 . 1 1 60 60 LEU CG C 13 26.99 0.05 . 1 . . . . . . . . 4184 1 777 . 1 1 60 60 LEU CD1 C 13 27.62 0.05 . 1 . . . . . . . . 4184 1 778 . 1 1 60 60 LEU CD2 C 13 21.27 0.05 . 1 . . . . . . . . 4184 1 779 . 1 1 60 60 LEU N N 15 120.76 0.05 . 1 . . . . . . . . 4184 1 780 . 1 1 61 61 ASP H H 1 9.12 0.02 . 1 . . . . . . . . 4184 1 781 . 1 1 61 61 ASP HA H 1 5.4 0.02 . 1 . . . . . . . . 4184 1 782 . 1 1 61 61 ASP HB2 H 1 3.2 0.02 . 2 . . . . . . . . 4184 1 783 . 1 1 61 61 ASP HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4184 1 784 . 1 1 61 61 ASP C C 13 175.67 0.05 . 1 . . . . . . . . 4184 1 785 . 1 1 61 61 ASP CA C 13 51.76 0.05 . 1 . . . . . . . . 4184 1 786 . 1 1 61 61 ASP CB C 13 40.55 0.05 . 1 . . . . . . . . 4184 1 787 . 1 1 61 61 ASP N N 15 123.94 0.05 . 1 . . . . . . . . 4184 1 788 . 1 1 62 62 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4184 1 789 . 1 1 62 62 ARG HA H 1 2.74 0.02 . 1 . . . . . . . . 4184 1 790 . 1 1 62 62 ARG HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4184 1 791 . 1 1 62 62 ARG HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4184 1 792 . 1 1 62 62 ARG HG2 H 1 0.9 0.02 . 2 . . . . . . . . 4184 1 793 . 1 1 62 62 ARG HG3 H 1 0.75 0.02 . 2 . . . . . . . . 4184 1 794 . 1 1 62 62 ARG HD2 H 1 3.2 0.02 . 2 . . . . . . . . 4184 1 795 . 1 1 62 62 ARG HD3 H 1 2.94 0.02 . 2 . . . . . . . . 4184 1 796 . 1 1 62 62 ARG HE H 1 7.41 0.02 . 1 . . . . . . . . 4184 1 797 . 1 1 62 62 ARG C C 13 178.88 0.05 . 1 . . . . . . . . 4184 1 798 . 1 1 62 62 ARG CA C 13 60.61 0.05 . 1 . . . . . . . . 4184 1 799 . 1 1 62 62 ARG CB C 13 30.70 0.05 . 1 . . . . . . . . 4184 1 800 . 1 1 62 62 ARG CG C 13 28.00 0.05 . 1 . . . . . . . . 4184 1 801 . 1 1 62 62 ARG CD C 13 42.87 0.05 . 1 . . . . . . . . 4184 1 802 . 1 1 62 62 ARG N N 15 117.53 0.05 . 1 . . . . . . . . 4184 1 803 . 1 1 62 62 ARG NE N 15 114.48 0.05 . 1 . . . . . . . . 4184 1 804 . 1 1 63 63 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 4184 1 805 . 1 1 63 63 ASP HA H 1 4.74 0.02 . 1 . . . . . . . . 4184 1 806 . 1 1 63 63 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4184 1 807 . 1 1 63 63 ASP HB3 H 1 2.26 0.02 . 2 . . . . . . . . 4184 1 808 . 1 1 63 63 ASP C C 13 178.34 0.05 . 1 . . . . . . . . 4184 1 809 . 1 1 63 63 ASP CA C 13 57.80 0.05 . 1 . . . . . . . . 4184 1 810 . 1 1 63 63 ASP CB C 13 40.59 0.05 . 1 . . . . . . . . 4184 1 811 . 1 1 63 63 ASP N N 15 119.48 0.05 . 1 . . . . . . . . 4184 1 812 . 1 1 64 64 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 4184 1 813 . 1 1 64 64 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 4184 1 814 . 1 1 64 64 GLU HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4184 1 815 . 1 1 64 64 GLU HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4184 1 816 . 1 1 64 64 GLU HG2 H 1 2.9 0.02 . 2 . . . . . . . . 4184 1 817 . 1 1 64 64 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 4184 1 818 . 1 1 64 64 GLU C C 13 179.11 0.05 . 1 . . . . . . . . 4184 1 819 . 1 1 64 64 GLU CA C 13 59.83 0.05 . 1 . . . . . . . . 4184 1 820 . 1 1 64 64 GLU CB C 13 31.68 0.05 . 1 . . . . . . . . 4184 1 821 . 1 1 64 64 GLU CG C 13 38.07 0.05 . 1 . . . . . . . . 4184 1 822 . 1 1 64 64 GLU N N 15 120.68 0.05 . 1 . . . . . . . . 4184 1 823 . 1 1 65 65 PHE H H 1 9.34 0.02 . 1 . . . . . . . . 4184 1 824 . 1 1 65 65 PHE HA H 1 4.2 0.02 . 1 . . . . . . . . 4184 1 825 . 1 1 65 65 PHE HB2 H 1 3.29 0.02 . 1 . . . . . . . . 4184 1 826 . 1 1 65 65 PHE HB3 H 1 3.29 0.02 . 1 . . . . . . . . 4184 1 827 . 1 1 65 65 PHE HD1 H 1 7.5 0.02 . 1 . . . . . . . . 4184 1 828 . 1 1 65 65 PHE HD2 H 1 7.5 0.02 . 1 . . . . . . . . 4184 1 829 . 1 1 65 65 PHE HE1 H 1 7.44 0.02 . 1 . . . . . . . . 4184 1 830 . 1 1 65 65 PHE HE2 H 1 7.44 0.02 . 1 . . . . . . . . 4184 1 831 . 1 1 65 65 PHE HZ H 1 7.33 0.02 . 1 . . . . . . . . 4184 1 832 . 1 1 65 65 PHE C C 13 176.07 0.05 . 1 . . . . . . . . 4184 1 833 . 1 1 65 65 PHE CA C 13 62.08 0.05 . 1 . . . . . . . . 4184 1 834 . 1 1 65 65 PHE CB C 13 40.19 0.05 . 1 . . . . . . . . 4184 1 835 . 1 1 65 65 PHE CD1 C 13 132.35 0.05 . 1 . . . . . . . . 4184 1 836 . 1 1 65 65 PHE CD2 C 13 132.35 0.05 . 1 . . . . . . . . 4184 1 837 . 1 1 65 65 PHE CE1 C 13 130.85 0.05 . 1 . . . . . . . . 4184 1 838 . 1 1 65 65 PHE CE2 C 13 130.85 0.05 . 1 . . . . . . . . 4184 1 839 . 1 1 65 65 PHE CZ C 13 130.17 0.05 . 1 . . . . . . . . 4184 1 840 . 1 1 65 65 PHE N N 15 118.91 0.05 . 1 . . . . . . . . 4184 1 841 . 1 1 66 66 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 4184 1 842 . 1 1 66 66 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 4184 1 843 . 1 1 66 66 ALA HB1 H 1 2.02 0.02 . 1 . . . . . . . . 4184 1 844 . 1 1 66 66 ALA HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4184 1 845 . 1 1 66 66 ALA HB3 H 1 2.02 0.02 . 1 . . . . . . . . 4184 1 846 . 1 1 66 66 ALA C C 13 178.80 0.05 . 1 . . . . . . . . 4184 1 847 . 1 1 66 66 ALA CA C 13 55.18 0.05 . 1 . . . . . . . . 4184 1 848 . 1 1 66 66 ALA CB C 13 18.77 0.05 . 1 . . . . . . . . 4184 1 849 . 1 1 66 66 ALA N N 15 120.02 0.05 . 1 . . . . . . . . 4184 1 850 . 1 1 67 67 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 4184 1 851 . 1 1 67 67 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 4184 1 852 . 1 1 67 67 VAL HB H 1 2.77 0.02 . 1 . . . . . . . . 4184 1 853 . 1 1 67 67 VAL HG11 H 1 1.04 0.02 . 1 . . . . . . . . 4184 1 854 . 1 1 67 67 VAL HG12 H 1 1.04 0.02 . 1 . . . . . . . . 4184 1 855 . 1 1 67 67 VAL HG13 H 1 1.04 0.02 . 1 . . . . . . . . 4184 1 856 . 1 1 67 67 VAL HG21 H 1 1.56 0.02 . 1 . . . . . . . . 4184 1 857 . 1 1 67 67 VAL HG22 H 1 1.56 0.02 . 1 . . . . . . . . 4184 1 858 . 1 1 67 67 VAL HG23 H 1 1.56 0.02 . 1 . . . . . . . . 4184 1 859 . 1 1 67 67 VAL C C 13 176.68 0.05 . 1 . . . . . . . . 4184 1 860 . 1 1 67 67 VAL CA C 13 67.61 0.05 . 1 . . . . . . . . 4184 1 861 . 1 1 67 67 VAL CB C 13 31.32 0.05 . 1 . . . . . . . . 4184 1 862 . 1 1 67 67 VAL CG1 C 13 22.40 0.05 . 1 . . . . . . . . 4184 1 863 . 1 1 67 67 VAL CG2 C 13 24.25 0.05 . 1 . . . . . . . . 4184 1 864 . 1 1 67 67 VAL N N 15 117.7 0.05 . 1 . . . . . . . . 4184 1 865 . 1 1 68 68 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 4184 1 866 . 1 1 68 68 ALA HA H 1 3.9 0.02 . 1 . . . . . . . . 4184 1 867 . 1 1 68 68 ALA HB1 H 1 1.16 0.02 . 1 . . . . . . . . 4184 1 868 . 1 1 68 68 ALA HB2 H 1 1.16 0.02 . 1 . . . . . . . . 4184 1 869 . 1 1 68 68 ALA HB3 H 1 1.16 0.02 . 1 . . . . . . . . 4184 1 870 . 1 1 68 68 ALA C C 13 179.55 0.05 . 1 . . . . . . . . 4184 1 871 . 1 1 68 68 ALA CA C 13 55.74 0.05 . 1 . . . . . . . . 4184 1 872 . 1 1 68 68 ALA CB C 13 16.88 0.05 . 1 . . . . . . . . 4184 1 873 . 1 1 68 68 ALA N N 15 122.17 0.05 . 1 . . . . . . . . 4184 1 874 . 1 1 69 69 MET H H 1 7.91 0.02 . 1 . . . . . . . . 4184 1 875 . 1 1 69 69 MET HA H 1 3.9 0.02 . 1 . . . . . . . . 4184 1 876 . 1 1 69 69 MET HB2 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 877 . 1 1 69 69 MET HB3 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 878 . 1 1 69 69 MET HG2 H 1 1.7 0.02 . 2 . . . . . . . . 4184 1 879 . 1 1 69 69 MET HG3 H 1 1.29 0.02 . 2 . . . . . . . . 4184 1 880 . 1 1 69 69 MET HE1 H 1 1.7 0.02 . 1 . . . . . . . . 4184 1 881 . 1 1 69 69 MET HE2 H 1 1.7 0.02 . 1 . . . . . . . . 4184 1 882 . 1 1 69 69 MET HE3 H 1 1.7 0.02 . 1 . . . . . . . . 4184 1 883 . 1 1 69 69 MET C C 13 178.51 0.05 . 1 . . . . . . . . 4184 1 884 . 1 1 69 69 MET CA C 13 56.02 0.05 . 1 . . . . . . . . 4184 1 885 . 1 1 69 69 MET CB C 13 30.19 0.05 . 1 . . . . . . . . 4184 1 886 . 1 1 69 69 MET CG C 13 33.23 0.05 . 1 . . . . . . . . 4184 1 887 . 1 1 69 69 MET CE C 13 17.79 0.05 . 1 . . . . . . . . 4184 1 888 . 1 1 69 69 MET N N 15 113.78 0.05 . 1 . . . . . . . . 4184 1 889 . 1 1 70 70 PHE H H 1 8.38 0.02 . 1 . . . . . . . . 4184 1 890 . 1 1 70 70 PHE HA H 1 4.33 0.02 . 1 . . . . . . . . 4184 1 891 . 1 1 70 70 PHE HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4184 1 892 . 1 1 70 70 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4184 1 893 . 1 1 70 70 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 4184 1 894 . 1 1 70 70 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 4184 1 895 . 1 1 70 70 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 4184 1 896 . 1 1 70 70 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 4184 1 897 . 1 1 70 70 PHE C C 13 178.90 0.05 . 1 . . . . . . . . 4184 1 898 . 1 1 70 70 PHE CA C 13 61.65 0.05 . 1 . . . . . . . . 4184 1 899 . 1 1 70 70 PHE CB C 13 39.82 0.05 . 1 . . . . . . . . 4184 1 900 . 1 1 70 70 PHE CD1 C 13 132.38 0.05 . 1 . . . . . . . . 4184 1 901 . 1 1 70 70 PHE CD2 C 13 132.38 0.05 . 1 . . . . . . . . 4184 1 902 . 1 1 70 70 PHE N N 15 122.61 0.05 . 1 . . . . . . . . 4184 1 903 . 1 1 71 71 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 4184 1 904 . 1 1 71 71 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 4184 1 905 . 1 1 71 71 LEU HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4184 1 906 . 1 1 71 71 LEU HB3 H 1 1.21 0.02 . 2 . . . . . . . . 4184 1 907 . 1 1 71 71 LEU HG H 1 2.17 0.02 . 1 . . . . . . . . 4184 1 908 . 1 1 71 71 LEU HD11 H 1 0.9 0.02 . 1 . . . . . . . . 4184 1 909 . 1 1 71 71 LEU HD12 H 1 0.9 0.02 . 1 . . . . . . . . 4184 1 910 . 1 1 71 71 LEU HD13 H 1 0.9 0.02 . 1 . . . . . . . . 4184 1 911 . 1 1 71 71 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4184 1 912 . 1 1 71 71 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4184 1 913 . 1 1 71 71 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4184 1 914 . 1 1 71 71 LEU C C 13 179.51 0.05 . 1 . . . . . . . . 4184 1 915 . 1 1 71 71 LEU CA C 13 58.26 0.05 . 1 . . . . . . . . 4184 1 916 . 1 1 71 71 LEU CB C 13 43.35 0.05 . 1 . . . . . . . . 4184 1 917 . 1 1 71 71 LEU CG C 13 27.19 0.05 . 1 . . . . . . . . 4184 1 918 . 1 1 71 71 LEU CD1 C 13 27.87 0.05 . 1 . . . . . . . . 4184 1 919 . 1 1 71 71 LEU CD2 C 13 23.05 0.05 . 1 . . . . . . . . 4184 1 920 . 1 1 71 71 LEU N N 15 120.12 0.05 . 1 . . . . . . . . 4184 1 921 . 1 1 72 72 VAL H H 1 8.28 0.02 . 1 . . . . . . . . 4184 1 922 . 1 1 72 72 VAL HA H 1 3.33 0.02 . 1 . . . . . . . . 4184 1 923 . 1 1 72 72 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4184 1 924 . 1 1 72 72 VAL HG11 H 1 0.75 0.02 . 1 . . . . . . . . 4184 1 925 . 1 1 72 72 VAL HG12 H 1 0.75 0.02 . 1 . . . . . . . . 4184 1 926 . 1 1 72 72 VAL HG13 H 1 0.75 0.02 . 1 . . . . . . . . 4184 1 927 . 1 1 72 72 VAL HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 928 . 1 1 72 72 VAL HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 929 . 1 1 72 72 VAL HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 930 . 1 1 72 72 VAL C C 13 177.17 0.05 . 1 . . . . . . . . 4184 1 931 . 1 1 72 72 VAL CA C 13 67.25 0.05 . 1 . . . . . . . . 4184 1 932 . 1 1 72 72 VAL CB C 13 31.48 0.05 . 1 . . . . . . . . 4184 1 933 . 1 1 72 72 VAL CG1 C 13 21.35 0.05 . 1 . . . . . . . . 4184 1 934 . 1 1 72 72 VAL CG2 C 13 24.33 0.05 . 1 . . . . . . . . 4184 1 935 . 1 1 72 72 VAL N N 15 120.14 0.05 . 1 . . . . . . . . 4184 1 936 . 1 1 73 73 TYR H H 1 8.45 0.02 . 1 . . . . . . . . 4184 1 937 . 1 1 73 73 TYR HA H 1 4.12 0.02 . 1 . . . . . . . . 4184 1 938 . 1 1 73 73 TYR HB2 H 1 3.1 0.02 . 2 . . . . . . . . 4184 1 939 . 1 1 73 73 TYR HB3 H 1 3.05 0.02 . 2 . . . . . . . . 4184 1 940 . 1 1 73 73 TYR HD1 H 1 7.27 0.02 . 1 . . . . . . . . 4184 1 941 . 1 1 73 73 TYR HD2 H 1 7.27 0.02 . 1 . . . . . . . . 4184 1 942 . 1 1 73 73 TYR HE1 H 1 6.8 0.02 . 1 . . . . . . . . 4184 1 943 . 1 1 73 73 TYR HE2 H 1 6.8 0.02 . 1 . . . . . . . . 4184 1 944 . 1 1 73 73 TYR C C 13 178.93 0.05 . 1 . . . . . . . . 4184 1 945 . 1 1 73 73 TYR CA C 13 62.90 0.05 . 1 . . . . . . . . 4184 1 946 . 1 1 73 73 TYR CB C 13 36.89 0.05 . 1 . . . . . . . . 4184 1 947 . 1 1 73 73 TYR CD1 C 13 133.65 0.05 . 1 . . . . . . . . 4184 1 948 . 1 1 73 73 TYR CD2 C 13 133.65 0.05 . 1 . . . . . . . . 4184 1 949 . 1 1 73 73 TYR CE1 C 13 117.74 0.05 . 1 . . . . . . . . 4184 1 950 . 1 1 73 73 TYR CE2 C 13 117.74 0.05 . 1 . . . . . . . . 4184 1 951 . 1 1 73 73 TYR N N 15 118.72 0.05 . 1 . . . . . . . . 4184 1 952 . 1 1 74 74 CYS H H 1 8.17 0.02 . 1 . . . . . . . . 4184 1 953 . 1 1 74 74 CYS HA H 1 3.9 0.02 . 1 . . . . . . . . 4184 1 954 . 1 1 74 74 CYS HB2 H 1 2.9 0.02 . 2 . . . . . . . . 4184 1 955 . 1 1 74 74 CYS HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4184 1 956 . 1 1 74 74 CYS C C 13 176.97 0.05 . 1 . . . . . . . . 4184 1 957 . 1 1 74 74 CYS CA C 13 63.50 0.05 . 1 . . . . . . . . 4184 1 958 . 1 1 74 74 CYS CB C 13 26.26 0.05 . 1 . . . . . . . . 4184 1 959 . 1 1 74 74 CYS N N 15 117.7 0.05 . 1 . . . . . . . . 4184 1 960 . 1 1 75 75 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4184 1 961 . 1 1 75 75 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 4184 1 962 . 1 1 75 75 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4184 1 963 . 1 1 75 75 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4184 1 964 . 1 1 75 75 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4184 1 965 . 1 1 75 75 ALA C C 13 182.91 0.05 . 1 . . . . . . . . 4184 1 966 . 1 1 75 75 ALA CA C 13 54.61 0.05 . 1 . . . . . . . . 4184 1 967 . 1 1 75 75 ALA CB C 13 18.15 0.05 . 1 . . . . . . . . 4184 1 968 . 1 1 75 75 ALA N N 15 123.57 0.05 . 1 . . . . . . . . 4184 1 969 . 1 1 76 76 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 4184 1 970 . 1 1 76 76 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4184 1 971 . 1 1 76 76 LEU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4184 1 972 . 1 1 76 76 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4184 1 973 . 1 1 76 76 LEU HG H 1 1.8 0.02 . 1 . . . . . . . . 4184 1 974 . 1 1 76 76 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 4184 1 975 . 1 1 76 76 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 4184 1 976 . 1 1 76 76 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 4184 1 977 . 1 1 76 76 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4184 1 978 . 1 1 76 76 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4184 1 979 . 1 1 76 76 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4184 1 980 . 1 1 76 76 LEU C C 13 178.83 0.05 . 1 . . . . . . . . 4184 1 981 . 1 1 76 76 LEU CA C 13 57.59 0.05 . 1 . . . . . . . . 4184 1 982 . 1 1 76 76 LEU CB C 13 41.84 0.05 . 1 . . . . . . . . 4184 1 983 . 1 1 76 76 LEU CD1 C 13 22.74 0.05 . 2 . . . . . . . . 4184 1 984 . 1 1 76 76 LEU CD2 C 13 25.90 0.05 . 2 . . . . . . . . 4184 1 985 . 1 1 76 76 LEU N N 15 122.35 0.05 . 1 . . . . . . . . 4184 1 986 . 1 1 77 77 GLU H H 1 7.41 0.02 . 1 . . . . . . . . 4184 1 987 . 1 1 77 77 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 4184 1 988 . 1 1 77 77 GLU HB2 H 1 2.33 0.02 . 2 . . . . . . . . 4184 1 989 . 1 1 77 77 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4184 1 990 . 1 1 77 77 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 4184 1 991 . 1 1 77 77 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 4184 1 992 . 1 1 77 77 GLU C C 13 175.46 0.05 . 1 . . . . . . . . 4184 1 993 . 1 1 77 77 GLU CA C 13 55.92 0.05 . 1 . . . . . . . . 4184 1 994 . 1 1 77 77 GLU CB C 13 28.98 0.05 . 1 . . . . . . . . 4184 1 995 . 1 1 77 77 GLU CG C 13 36.02 0.05 . 1 . . . . . . . . 4184 1 996 . 1 1 77 77 GLU N N 15 118.67 0.05 . 1 . . . . . . . . 4184 1 997 . 1 1 78 78 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 4184 1 998 . 1 1 78 78 LYS HA H 1 3.84 0.02 . 1 . . . . . . . . 4184 1 999 . 1 1 78 78 LYS HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4184 1 1000 . 1 1 78 78 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4184 1 1001 . 1 1 78 78 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 4184 1 1002 . 1 1 78 78 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 4184 1 1003 . 1 1 78 78 LYS HD2 H 1 1.74 0.02 . 2 . . . . . . . . 4184 1 1004 . 1 1 78 78 LYS HD3 H 1 1.66 0.02 . 2 . . . . . . . . 4184 1 1005 . 1 1 78 78 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 4184 1 1006 . 1 1 78 78 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 4184 1 1007 . 1 1 78 78 LYS C C 13 175.98 0.05 . 1 . . . . . . . . 4184 1 1008 . 1 1 78 78 LYS CA C 13 57.69 0.05 . 1 . . . . . . . . 4184 1 1009 . 1 1 78 78 LYS CB C 13 28.76 0.05 . 1 . . . . . . . . 4184 1 1010 . 1 1 78 78 LYS CG C 13 24.89 0.05 . 1 . . . . . . . . 4184 1 1011 . 1 1 78 78 LYS CD C 13 28.8 0.05 . 1 . . . . . . . . 4184 1 1012 . 1 1 78 78 LYS CE C 13 42.08 0.05 . 1 . . . . . . . . 4184 1 1013 . 1 1 78 78 LYS N N 15 111.78 0.05 . 1 . . . . . . . . 4184 1 1014 . 1 1 79 79 GLU H H 1 7.99 0.02 . 1 . . . . . . . . 4184 1 1015 . 1 1 79 79 GLU HA H 1 4.66 0.02 . 1 . . . . . . . . 4184 1 1016 . 1 1 79 79 GLU HB2 H 1 1.9 0.02 . 2 . . . . . . . . 4184 1 1017 . 1 1 79 79 GLU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4184 1 1018 . 1 1 79 79 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 4184 1 1019 . 1 1 79 79 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 4184 1 1020 . 1 1 79 79 GLU CA C 13 53.98 0.05 . 1 . . . . . . . . 4184 1 1021 . 1 1 79 79 GLU CB C 13 29.47 0.05 . 1 . . . . . . . . 4184 1 1022 . 1 1 79 79 GLU CG C 13 35.64 0.05 . 1 . . . . . . . . 4184 1 1023 . 1 1 79 79 GLU N N 15 121.54 0.05 . 1 . . . . . . . . 4184 1 1024 . 1 1 80 80 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4184 1 1025 . 1 1 80 80 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4184 1 1026 . 1 1 80 80 PRO HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4184 1 1027 . 1 1 80 80 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 4184 1 1028 . 1 1 80 80 PRO HG3 H 1 2 0.02 . 2 . . . . . . . . 4184 1 1029 . 1 1 80 80 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 4184 1 1030 . 1 1 80 80 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4184 1 1031 . 1 1 80 80 PRO C C 13 176.71 0.05 . 1 . . . . . . . . 4184 1 1032 . 1 1 80 80 PRO CA C 13 62.34 0.05 . 1 . . . . . . . . 4184 1 1033 . 1 1 80 80 PRO CB C 13 32.08 0.05 . 1 . . . . . . . . 4184 1 1034 . 1 1 80 80 PRO CG C 13 27.48 0.05 . 1 . . . . . . . . 4184 1 1035 . 1 1 80 80 PRO CD C 13 50.59 0.05 . 1 . . . . . . . . 4184 1 1036 . 1 1 81 81 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4184 1 1037 . 1 1 81 81 VAL HA H 1 4.25 0.02 . 1 . . . . . . . . 4184 1 1038 . 1 1 81 81 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 4184 1 1039 . 1 1 81 81 VAL HG11 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 1040 . 1 1 81 81 VAL HG12 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 1041 . 1 1 81 81 VAL HG13 H 1 0.99 0.02 . 1 . . . . . . . . 4184 1 1042 . 1 1 81 81 VAL HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 1043 . 1 1 81 81 VAL HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 1044 . 1 1 81 81 VAL HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4184 1 1045 . 1 1 81 81 VAL CA C 13 60.16 0.05 . 1 . . . . . . . . 4184 1 1046 . 1 1 81 81 VAL CB C 13 32.19 0.05 . 1 . . . . . . . . 4184 1 1047 . 1 1 81 81 VAL CG1 C 13 21.54 0.05 . 1 . . . . . . . . 4184 1 1048 . 1 1 81 81 VAL CG2 C 13 22.24 0.05 . 1 . . . . . . . . 4184 1 1049 . 1 1 81 81 VAL N N 15 124.86 0.05 . 1 . . . . . . . . 4184 1 1050 . 1 1 82 82 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . 4184 1 1051 . 1 1 82 82 PRO HB2 H 1 2.42 0.02 . 1 . . . . . . . . 4184 1 1052 . 1 1 82 82 PRO HB3 H 1 2.42 0.02 . 1 . . . . . . . . 4184 1 1053 . 1 1 82 82 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 4184 1 1054 . 1 1 82 82 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 4184 1 1055 . 1 1 82 82 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 4184 1 1056 . 1 1 82 82 PRO HD3 H 1 3.51 0.02 . 2 . . . . . . . . 4184 1 1057 . 1 1 82 82 PRO C C 13 175.00 0.05 . 1 . . . . . . . . 4184 1 1058 . 1 1 82 82 PRO CA C 13 62.71 0.05 . 1 . . . . . . . . 4184 1 1059 . 1 1 82 82 PRO CB C 13 32.84 0.05 . 1 . . . . . . . . 4184 1 1060 . 1 1 82 82 PRO CG C 13 26.99 0.05 . 1 . . . . . . . . 4184 1 1061 . 1 1 82 82 PRO CD C 13 50.83 0.05 . 1 . . . . . . . . 4184 1 1062 . 1 1 83 83 MET H H 1 8.55 0.02 . 1 . . . . . . . . 4184 1 1063 . 1 1 83 83 MET HA H 1 4.4 0.02 . 1 . . . . . . . . 4184 1 1064 . 1 1 83 83 MET HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4184 1 1065 . 1 1 83 83 MET HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4184 1 1066 . 1 1 83 83 MET HG2 H 1 2.78 0.02 . 2 . . . . . . . . 4184 1 1067 . 1 1 83 83 MET HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4184 1 1068 . 1 1 83 83 MET HE1 H 1 2.14 0.02 . 1 . . . . . . . . 4184 1 1069 . 1 1 83 83 MET HE2 H 1 2.14 0.02 . 1 . . . . . . . . 4184 1 1070 . 1 1 83 83 MET HE3 H 1 2.14 0.02 . 1 . . . . . . . . 4184 1 1071 . 1 1 83 83 MET C C 13 176.44 0.05 . 1 . . . . . . . . 4184 1 1072 . 1 1 83 83 MET CA C 13 56.27 0.05 . 1 . . . . . . . . 4184 1 1073 . 1 1 83 83 MET CB C 13 32.33 0.05 . 1 . . . . . . . . 4184 1 1074 . 1 1 83 83 MET CG C 13 32.46 0.05 . 1 . . . . . . . . 4184 1 1075 . 1 1 83 83 MET CE C 13 16.64 0.05 . 1 . . . . . . . . 4184 1 1076 . 1 1 83 83 MET N N 15 114.88 0.05 . 1 . . . . . . . . 4184 1 1077 . 1 1 84 84 SER H H 1 7.59 0.02 . 1 . . . . . . . . 4184 1 1078 . 1 1 84 84 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4184 1 1079 . 1 1 84 84 SER HB2 H 1 3.79 0.02 . 2 . . . . . . . . 4184 1 1080 . 1 1 84 84 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4184 1 1081 . 1 1 84 84 SER C C 13 173.39 0.05 . 1 . . . . . . . . 4184 1 1082 . 1 1 84 84 SER CA C 13 56.50 0.05 . 1 . . . . . . . . 4184 1 1083 . 1 1 84 84 SER CB C 13 65.08 0.05 . 1 . . . . . . . . 4184 1 1084 . 1 1 84 84 SER N N 15 110.55 0.05 . 1 . . . . . . . . 4184 1 1085 . 1 1 85 85 LEU H H 1 9.25 0.02 . 1 . . . . . . . . 4184 1 1086 . 1 1 85 85 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4184 1 1087 . 1 1 85 85 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4184 1 1088 . 1 1 85 85 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 4184 1 1089 . 1 1 85 85 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4184 1 1090 . 1 1 85 85 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 4184 1 1091 . 1 1 85 85 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 4184 1 1092 . 1 1 85 85 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 4184 1 1093 . 1 1 85 85 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 4184 1 1094 . 1 1 85 85 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 4184 1 1095 . 1 1 85 85 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 4184 1 1096 . 1 1 85 85 LEU CA C 13 53.51 0.05 . 1 . . . . . . . . 4184 1 1097 . 1 1 85 85 LEU CB C 13 41.89 0.05 . 1 . . . . . . . . 4184 1 1098 . 1 1 85 85 LEU CG C 13 27.92 0.05 . 1 . . . . . . . . 4184 1 1099 . 1 1 85 85 LEU CD1 C 13 26.39 0.05 . 2 . . . . . . . . 4184 1 1100 . 1 1 85 85 LEU CD2 C 13 25.29 0.05 . 2 . . . . . . . . 4184 1 1101 . 1 1 85 85 LEU N N 15 124.53 0.05 . 1 . . . . . . . . 4184 1 1102 . 1 1 86 86 PRO HA H 1 4.84 0.02 . 1 . . . . . . . . 4184 1 1103 . 1 1 86 86 PRO HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4184 1 1104 . 1 1 86 86 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4184 1 1105 . 1 1 86 86 PRO HG2 H 1 2.2 0.02 . 1 . . . . . . . . 4184 1 1106 . 1 1 86 86 PRO HG3 H 1 2.2 0.02 . 1 . . . . . . . . 4184 1 1107 . 1 1 86 86 PRO HD2 H 1 4.21 0.02 . 2 . . . . . . . . 4184 1 1108 . 1 1 86 86 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4184 1 1109 . 1 1 86 86 PRO CA C 13 60.81 0.05 . 1 . . . . . . . . 4184 1 1110 . 1 1 86 86 PRO CB C 13 31.09 0.05 . 1 . . . . . . . . 4184 1 1111 . 1 1 86 86 PRO CG C 13 27.97 0.05 . 1 . . . . . . . . 4184 1 1112 . 1 1 86 86 PRO CD C 13 50.71 0.05 . 1 . . . . . . . . 4184 1 1113 . 1 1 87 87 PRO HA H 1 4.15 0.02 . 1 . . . . . . . . 4184 1 1114 . 1 1 87 87 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 4184 1 1115 . 1 1 87 87 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4184 1 1116 . 1 1 87 87 PRO HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4184 1 1117 . 1 1 87 87 PRO HG3 H 1 2.1 0.02 . 2 . . . . . . . . 4184 1 1118 . 1 1 87 87 PRO HD2 H 1 3.89 0.02 . 2 . . . . . . . . 4184 1 1119 . 1 1 87 87 PRO HD3 H 1 3.84 0.02 . 2 . . . . . . . . 4184 1 1120 . 1 1 87 87 PRO C C 13 179.17 0.05 . 1 . . . . . . . . 4184 1 1121 . 1 1 87 87 PRO CA C 13 65.77 0.05 . 1 . . . . . . . . 4184 1 1122 . 1 1 87 87 PRO CB C 13 31.98 0.05 . 1 . . . . . . . . 4184 1 1123 . 1 1 87 87 PRO CG C 13 27.68 0.05 . 1 . . . . . . . . 4184 1 1124 . 1 1 87 87 PRO CD C 13 50.19 0.05 . 1 . . . . . . . . 4184 1 1125 . 1 1 88 88 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4184 1 1126 . 1 1 88 88 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4184 1 1127 . 1 1 88 88 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4184 1 1128 . 1 1 88 88 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4184 1 1129 . 1 1 88 88 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4184 1 1130 . 1 1 88 88 ALA C C 13 178.93 0.05 . 1 . . . . . . . . 4184 1 1131 . 1 1 88 88 ALA CA C 13 54.23 0.05 . 1 . . . . . . . . 4184 1 1132 . 1 1 88 88 ALA CB C 13 18.65 0.05 . 1 . . . . . . . . 4184 1 1133 . 1 1 88 88 ALA N N 15 115.67 0.05 . 1 . . . . . . . . 4184 1 1134 . 1 1 89 89 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 4184 1 1135 . 1 1 89 89 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4184 1 1136 . 1 1 89 89 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4184 1 1137 . 1 1 89 89 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4184 1 1138 . 1 1 89 89 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 4184 1 1139 . 1 1 89 89 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4184 1 1140 . 1 1 89 89 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4184 1 1141 . 1 1 89 89 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4184 1 1142 . 1 1 89 89 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 4184 1 1143 . 1 1 89 89 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 4184 1 1144 . 1 1 89 89 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 4184 1 1145 . 1 1 89 89 LEU C C 13 176.75 0.05 . 1 . . . . . . . . 4184 1 1146 . 1 1 89 89 LEU CA C 13 54.75 0.05 . 1 . . . . . . . . 4184 1 1147 . 1 1 89 89 LEU CB C 13 43.30 0.05 . 1 . . . . . . . . 4184 1 1148 . 1 1 89 89 LEU CG C 13 27.95 0.05 . 1 . . . . . . . . 4184 1 1149 . 1 1 89 89 LEU CD1 C 13 25.96 0.05 . 2 . . . . . . . . 4184 1 1150 . 1 1 89 89 LEU CD2 C 13 24.42 0.05 . 2 . . . . . . . . 4184 1 1151 . 1 1 89 89 LEU N N 15 117.86 0.05 . 1 . . . . . . . . 4184 1 1152 . 1 1 90 90 VAL H H 1 7.37 0.02 . 1 . . . . . . . . 4184 1 1153 . 1 1 90 90 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 4184 1 1154 . 1 1 90 90 VAL HB H 1 2.02 0.02 . 2 . . . . . . . . 4184 1 1155 . 1 1 90 90 VAL HG11 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1156 . 1 1 90 90 VAL HG12 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1157 . 1 1 90 90 VAL HG13 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1158 . 1 1 90 90 VAL HG21 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1159 . 1 1 90 90 VAL HG22 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1160 . 1 1 90 90 VAL HG23 H 1 0.74 0.02 . 1 . . . . . . . . 4184 1 1161 . 1 1 90 90 VAL CA C 13 61.61 0.05 . 1 . . . . . . . . 4184 1 1162 . 1 1 90 90 VAL CB C 13 31.87 0.05 . 1 . . . . . . . . 4184 1 1163 . 1 1 90 90 VAL CG1 C 13 22.15 0.05 . 2 . . . . . . . . 4184 1 1164 . 1 1 90 90 VAL CG2 C 13 21.49 0.05 . 2 . . . . . . . . 4184 1 1165 . 1 1 90 90 VAL N N 15 122.8 0.05 . 1 . . . . . . . . 4184 1 1166 . 1 1 91 91 PRO HD2 H 1 4.31 0.02 . 2 . . . . . . . . 4184 1 1167 . 1 1 91 91 PRO HD3 H 1 3.19 0.02 . 2 . . . . . . . . 4184 1 1168 . 1 1 91 91 PRO CD C 13 50.73 0.05 . 1 . . . . . . . . 4184 1 1169 . 1 1 92 92 PRO HA H 1 3.58 0.02 . 1 . . . . . . . . 4184 1 1170 . 1 1 92 92 PRO HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4184 1 1171 . 1 1 92 92 PRO HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4184 1 1172 . 1 1 92 92 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 4184 1 1173 . 1 1 92 92 PRO HG3 H 1 1.63 0.02 . 2 . . . . . . . . 4184 1 1174 . 1 1 92 92 PRO HD2 H 1 2.81 0.02 . 2 . . . . . . . . 4184 1 1175 . 1 1 92 92 PRO HD3 H 1 2.71 0.02 . 2 . . . . . . . . 4184 1 1176 . 1 1 92 92 PRO C C 13 177.92 0.05 . 1 . . . . . . . . 4184 1 1177 . 1 1 92 92 PRO CA C 13 66.27 0.05 . 1 . . . . . . . . 4184 1 1178 . 1 1 92 92 PRO CB C 13 31.97 0.05 . 1 . . . . . . . . 4184 1 1179 . 1 1 92 92 PRO CG C 13 27.53 0.05 . 1 . . . . . . . . 4184 1 1180 . 1 1 92 92 PRO CD C 13 49.35 0.05 . 1 . . . . . . . . 4184 1 1181 . 1 1 93 93 SER H H 1 8.36 0.02 . 1 . . . . . . . . 4184 1 1182 . 1 1 93 93 SER HA H 1 4.06 0.02 . 1 . . . . . . . . 4184 1 1183 . 1 1 93 93 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 4184 1 1184 . 1 1 93 93 SER HB3 H 1 3.84 0.02 . 2 . . . . . . . . 4184 1 1185 . 1 1 93 93 SER C C 13 175.35 0.05 . 1 . . . . . . . . 4184 1 1186 . 1 1 93 93 SER CA C 13 60.21 0.05 . 1 . . . . . . . . 4184 1 1187 . 1 1 93 93 SER CB C 13 62.53 0.05 . 1 . . . . . . . . 4184 1 1188 . 1 1 93 93 SER N N 15 111.4 0.05 . 1 . . . . . . . . 4184 1 1189 . 1 1 94 94 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 4184 1 1190 . 1 1 94 94 LYS HA H 1 4.6 0.02 . 1 . . . . . . . . 4184 1 1191 . 1 1 94 94 LYS HB2 H 1 2.1 0.02 . 2 . . . . . . . . 4184 1 1192 . 1 1 94 94 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4184 1 1193 . 1 1 94 94 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 4184 1 1194 . 1 1 94 94 LYS HG3 H 1 1.24 0.02 . 2 . . . . . . . . 4184 1 1195 . 1 1 94 94 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 4184 1 1196 . 1 1 94 94 LYS HD3 H 1 1.48 0.02 . 2 . . . . . . . . 4184 1 1197 . 1 1 94 94 LYS HE2 H 1 3.04 0.02 . 2 . . . . . . . . 4184 1 1198 . 1 1 94 94 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 4184 1 1199 . 1 1 94 94 LYS C C 13 176.39 0.05 . 1 . . . . . . . . 4184 1 1200 . 1 1 94 94 LYS CA C 13 54.23 0.05 . 1 . . . . . . . . 4184 1 1201 . 1 1 94 94 LYS CB C 13 32.88 0.05 . 1 . . . . . . . . 4184 1 1202 . 1 1 94 94 LYS CG C 13 25.12 0.05 . 1 . . . . . . . . 4184 1 1203 . 1 1 94 94 LYS CD C 13 28.59 0.05 . 1 . . . . . . . . 4184 1 1204 . 1 1 94 94 LYS CE C 13 42.10 0.05 . 1 . . . . . . . . 4184 1 1205 . 1 1 94 94 LYS N N 15 118.93 0.05 . 1 . . . . . . . . 4184 1 1206 . 1 1 95 95 ARG H H 1 7.16 0.02 . 1 . . . . . . . . 4184 1 1207 . 1 1 95 95 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4184 1 1208 . 1 1 95 95 ARG HB2 H 1 1.8 0.02 . 2 . . . . . . . . 4184 1 1209 . 1 1 95 95 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4184 1 1210 . 1 1 95 95 ARG HD2 H 1 2.83 0.02 . 1 . . . . . . . . 4184 1 1211 . 1 1 95 95 ARG HD3 H 1 2.83 0.02 . 1 . . . . . . . . 4184 1 1212 . 1 1 95 95 ARG HE H 1 6.42 0.02 . 2 . . . . . . . . 4184 1 1213 . 1 1 95 95 ARG CA C 13 57.91 0.05 . 1 . . . . . . . . 4184 1 1214 . 1 1 95 95 ARG CB C 13 30.61 0.05 . 1 . . . . . . . . 4184 1 1215 . 1 1 95 95 ARG CG C 13 27.52 0.05 . 1 . . . . . . . . 4184 1 1216 . 1 1 95 95 ARG CD C 13 44.27 0.05 . 1 . . . . . . . . 4184 1 1217 . 1 1 95 95 ARG N N 15 119.96 0.05 . 1 . . . . . . . . 4184 1 1218 . 1 1 95 95 ARG NE N 15 115.47 0.05 . 1 . . . . . . . . 4184 1 stop_ save_