data_7104 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7104 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Assignment of chemical shifts of the NCAM F3 module 2' 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of he NCAM F3 module 2. ; 7104 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'NMR structure' 7104 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7104 _Entry.Title ; 1H and 15N Chemical Shift Assignments for the NCAM F3 module 2. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-06 _Entry.Accession_date 2006-05-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Vladislav Kiselyov . V. . 7104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 95 7104 '1H chemical shifts' 572 7104 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-31 2006-05-06 update BMRB 'complete entry citation' 7104 1 . . 2007-05-07 2006-05-06 original author 'original release' 7104 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7104 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636897 _Citation.Full_citation . _Citation.Title '1H and 15N resonance assignment of the second fibronectin type III module of the neural cell adhesion molecule' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 171 _Citation.Page_last 173 _Citation.Year 2008 _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 Vladislav Kiselyov . V. . 7104 1 2 Vladimir Berezin . . . 7104 1 3 Elisabeth Bock . . . 7104 1 4 Flemming Poulsen . M. . 7104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7104 _Assembly.ID 1 _Assembly.Name 'F3 module 2 of NCAM' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'F3 module 2 of NCAM' 1 $F3_module_2_of_NCAM . . yes native no no . . . 7104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F3_module_2_of_NCAM _Entity.Sf_category entity _Entity.Sf_framecode F3_module_2_of_NCAM _Entity.Entry_ID 7104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F3 module 2 of NCAM' _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 ; GPSAPKLEGQMGEDGNSIKV NLIKQDDGGSPIRHYLVKYR ALASEWKPEIRLPSGSDHVM LKSLDWNAEYEVYVVAENQQ GKSKAAHFVFRTSAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LWR . "Solution Structure Of The Ncam Fibronectin Type Iii Module 2" . . . . . 100.00 96 100.00 100.00 4.18e-63 . . . . 7104 1 2 no DBJ BAC34554 . "unnamed protein product [Mus musculus]" . . . . . 98.95 839 100.00 100.00 3.20e-57 . . . . 7104 1 3 no DBJ BAC38551 . "unnamed protein product [Mus musculus]" . . . . . 98.95 839 100.00 100.00 2.73e-57 . . . . 7104 1 4 no DBJ BAD74056 . "CD56 antigen [Felis catus]" . . . . . 98.95 846 98.94 100.00 4.98e-57 . . . . 7104 1 5 no DBJ BAD92680 . "Neural cell adhesion molecule 1, 120 kDa isoform precursor variant [Homo sapiens]" . . . . . 98.95 807 97.87 100.00 1.38e-56 . . . . 7104 1 6 no DBJ BAF85142 . "unnamed protein product [Homo sapiens]" . . . . . 98.95 858 97.87 100.00 1.33e-56 . . . . 7104 1 7 no EMBL CAA29641 . "unnamed protein product [Mus musculus]" . . . . . 98.95 320 100.00 100.00 2.60e-60 . . . . 7104 1 8 no EMBL CAA29809 . "unnamed protein product [Rattus norvegicus]" . . . . . 98.95 858 100.00 100.00 2.72e-57 . . . . 7104 1 9 no EMBL CAA30173 . "unnamed protein product [Mus musculus]" . . . . . 56.84 59 100.00 100.00 1.72e-30 . . . . 7104 1 10 no EMBL CAA33148 . "cell adhesion molecule (AA 1 - 681) (2262 is 1st base in codon) [Mus musculus]" . . . . . 98.95 681 100.00 100.00 1.63e-57 . . . . 7104 1 11 no EMBL CAA34470 . "calmodulin-independent adenylate cyclase [Bos taurus]" . . . . . 98.95 853 97.87 98.94 4.69e-56 . . . . 7104 1 12 no GB AAA59912 . "N-CAM, partial [Homo sapiens]" . . . . . 98.95 271 97.87 100.00 4.43e-60 . . . . 7104 1 13 no GB AAA59913 . "N-CAM, partial [Homo sapiens]" . . . . . 98.95 355 97.87 100.00 2.34e-59 . . . . 7104 1 14 no GB AAB04558 . "neural cell adhesion molecule CD56 [Homo sapiens]" . . . . . 98.95 848 97.87 100.00 1.19e-56 . . . . 7104 1 15 no GB AAB31836 . "N-CAM [Homo sapiens]" . . . . . 98.95 848 97.87 100.00 1.15e-56 . . . . 7104 1 16 no GB AAH47244 . "Neural cell adhesion molecule 1 [Homo sapiens]" . . . . . 98.95 858 97.87 100.00 1.27e-56 . . . . 7104 1 17 no PIR B26883 . "neural cell adhesion molecule (clone 4.4) - human (fragment)" . . . . . 98.95 355 97.87 100.00 2.34e-59 . . . . 7104 1 18 no PRF 1514117A . "adenylate cyclase" . . . . . 98.95 853 97.87 98.94 4.69e-56 . . . . 7104 1 19 no PRF 1803247A . "calmodulin-insensitive adenylate cyclase" . . . . . 98.95 853 97.87 98.94 4.69e-56 . . . . 7104 1 20 no REF NP_000606 . "neural cell adhesion molecule 1 isoform 1 precursor [Homo sapiens]" . . . . . 98.95 848 97.87 100.00 1.15e-56 . . . . 7104 1 21 no REF NP_001009869 . "neural cell adhesion molecule 1 precursor [Felis catus]" . . . . . 98.95 846 98.94 100.00 4.98e-57 . . . . 7104 1 22 no REF NP_001010950 . "neural cell adhesion molecule 1 precursor [Canis lupus familiaris]" . . . . . 100.00 725 97.89 98.95 1.45e-55 . . . . 7104 1 23 no REF NP_001070150 . "neural cell adhesion molecule 1 isoform 3 precursor [Homo sapiens]" . . . . . 98.95 761 97.87 100.00 1.27e-56 . . . . 7104 1 24 no REF NP_001074914 . "neural cell adhesion molecule 1 isoform 1 precursor [Mus musculus]" . . . . . 98.95 848 100.00 100.00 2.61e-57 . . . . 7104 1 25 no SP P13591 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor [Homo sa" . . . . . 98.95 858 97.87 100.00 1.24e-56 . . . . 7104 1 26 no SP P13595 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor [Mus mus" . . . . . 98.95 1115 100.00 100.00 1.63e-57 . . . . 7104 1 27 no SP P13596 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor [Rattus " . . . . . 98.95 858 100.00 100.00 2.72e-57 . . . . 7104 1 28 no SP P31836 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; Flags: Precursor [Bos taurus]" . . . . . 98.95 853 97.87 98.94 4.69e-56 . . . . 7104 1 29 no TPG DAA22362 . "TPA: neural cell adhesion molecule 1 precursor [Bos taurus]" . . . . . 98.95 853 97.87 98.94 4.93e-56 . . . . 7104 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 7104 1 2 2 PRO . 7104 1 3 3 SER . 7104 1 4 4 ALA . 7104 1 5 5 PRO . 7104 1 6 6 LYS . 7104 1 7 7 LEU . 7104 1 8 8 GLU . 7104 1 9 9 GLY . 7104 1 10 10 GLN . 7104 1 11 11 MET . 7104 1 12 12 GLY . 7104 1 13 13 GLU . 7104 1 14 14 ASP . 7104 1 15 15 GLY . 7104 1 16 16 ASN . 7104 1 17 17 SER . 7104 1 18 18 ILE . 7104 1 19 19 LYS . 7104 1 20 20 VAL . 7104 1 21 21 ASN . 7104 1 22 22 LEU . 7104 1 23 23 ILE . 7104 1 24 24 LYS . 7104 1 25 25 GLN . 7104 1 26 26 ASP . 7104 1 27 27 ASP . 7104 1 28 28 GLY . 7104 1 29 29 GLY . 7104 1 30 30 SER . 7104 1 31 31 PRO . 7104 1 32 32 ILE . 7104 1 33 33 ARG . 7104 1 34 34 HIS . 7104 1 35 35 TYR . 7104 1 36 36 LEU . 7104 1 37 37 VAL . 7104 1 38 38 LYS . 7104 1 39 39 TYR . 7104 1 40 40 ARG . 7104 1 41 41 ALA . 7104 1 42 42 LEU . 7104 1 43 43 ALA . 7104 1 44 44 SER . 7104 1 45 45 GLU . 7104 1 46 46 TRP . 7104 1 47 47 LYS . 7104 1 48 48 PRO . 7104 1 49 49 GLU . 7104 1 50 50 ILE . 7104 1 51 51 ARG . 7104 1 52 52 LEU . 7104 1 53 53 PRO . 7104 1 54 54 SER . 7104 1 55 55 GLY . 7104 1 56 56 SER . 7104 1 57 57 ASP . 7104 1 58 58 HIS . 7104 1 59 59 VAL . 7104 1 60 60 MET . 7104 1 61 61 LEU . 7104 1 62 62 LYS . 7104 1 63 63 SER . 7104 1 64 64 LEU . 7104 1 65 65 ASP . 7104 1 66 66 TRP . 7104 1 67 67 ASN . 7104 1 68 68 ALA . 7104 1 69 69 GLU . 7104 1 70 70 TYR . 7104 1 71 71 GLU . 7104 1 72 72 VAL . 7104 1 73 73 TYR . 7104 1 74 74 VAL . 7104 1 75 75 VAL . 7104 1 76 76 ALA . 7104 1 77 77 GLU . 7104 1 78 78 ASN . 7104 1 79 79 GLN . 7104 1 80 80 GLN . 7104 1 81 81 GLY . 7104 1 82 82 LYS . 7104 1 83 83 SER . 7104 1 84 84 LYS . 7104 1 85 85 ALA . 7104 1 86 86 ALA . 7104 1 87 87 HIS . 7104 1 88 88 PHE . 7104 1 89 89 VAL . 7104 1 90 90 PHE . 7104 1 91 91 ARG . 7104 1 92 92 THR . 7104 1 93 93 SER . 7104 1 94 94 ALA . 7104 1 95 95 GLN . 7104 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7104 1 . PRO 2 2 7104 1 . SER 3 3 7104 1 . ALA 4 4 7104 1 . PRO 5 5 7104 1 . LYS 6 6 7104 1 . LEU 7 7 7104 1 . GLU 8 8 7104 1 . GLY 9 9 7104 1 . GLN 10 10 7104 1 . MET 11 11 7104 1 . GLY 12 12 7104 1 . GLU 13 13 7104 1 . ASP 14 14 7104 1 . GLY 15 15 7104 1 . ASN 16 16 7104 1 . SER 17 17 7104 1 . ILE 18 18 7104 1 . LYS 19 19 7104 1 . VAL 20 20 7104 1 . ASN 21 21 7104 1 . LEU 22 22 7104 1 . ILE 23 23 7104 1 . LYS 24 24 7104 1 . GLN 25 25 7104 1 . ASP 26 26 7104 1 . ASP 27 27 7104 1 . GLY 28 28 7104 1 . GLY 29 29 7104 1 . SER 30 30 7104 1 . PRO 31 31 7104 1 . ILE 32 32 7104 1 . ARG 33 33 7104 1 . HIS 34 34 7104 1 . TYR 35 35 7104 1 . LEU 36 36 7104 1 . VAL 37 37 7104 1 . LYS 38 38 7104 1 . TYR 39 39 7104 1 . ARG 40 40 7104 1 . ALA 41 41 7104 1 . LEU 42 42 7104 1 . ALA 43 43 7104 1 . SER 44 44 7104 1 . GLU 45 45 7104 1 . TRP 46 46 7104 1 . LYS 47 47 7104 1 . PRO 48 48 7104 1 . GLU 49 49 7104 1 . ILE 50 50 7104 1 . ARG 51 51 7104 1 . LEU 52 52 7104 1 . PRO 53 53 7104 1 . SER 54 54 7104 1 . GLY 55 55 7104 1 . SER 56 56 7104 1 . ASP 57 57 7104 1 . HIS 58 58 7104 1 . VAL 59 59 7104 1 . MET 60 60 7104 1 . LEU 61 61 7104 1 . LYS 62 62 7104 1 . SER 63 63 7104 1 . LEU 64 64 7104 1 . ASP 65 65 7104 1 . TRP 66 66 7104 1 . ASN 67 67 7104 1 . ALA 68 68 7104 1 . GLU 69 69 7104 1 . TYR 70 70 7104 1 . GLU 71 71 7104 1 . VAL 72 72 7104 1 . TYR 73 73 7104 1 . VAL 74 74 7104 1 . VAL 75 75 7104 1 . ALA 76 76 7104 1 . GLU 77 77 7104 1 . ASN 78 78 7104 1 . GLN 79 79 7104 1 . GLN 80 80 7104 1 . GLY 81 81 7104 1 . LYS 82 82 7104 1 . SER 83 83 7104 1 . LYS 84 84 7104 1 . ALA 85 85 7104 1 . ALA 86 86 7104 1 . HIS 87 87 7104 1 . PHE 88 88 7104 1 . VAL 89 89 7104 1 . PHE 90 90 7104 1 . ARG 91 91 7104 1 . THR 92 92 7104 1 . SER 93 93 7104 1 . ALA 94 94 7104 1 . GLN 95 95 7104 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7104 _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 $F3_module_2_of_NCAM . 10116 . no . rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 7104 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 7104 _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 $F3_module_2_of_NCAM . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7104 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'F3 module 2 of NCAM' [U-15N] . . 1 $F3_module_2_of_NCAM . . 1 . . mM . . . . 7104 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 7104 1 3 NaCl . . . . . . . 30 . . mM . . . . 7104 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7104 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 1 mM 7104 1 pH 7.27 0.01 pH 7104 1 temperature 298 . K 7104 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7104 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7104 _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 TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 2 NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 3 DQFCOSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 4 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 5 15N-TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 6 15N-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7104 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7104 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7104 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7104 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7104 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.94 0.005 . 2 . . . . 1 GLY HA2 . 7104 1 2 . 1 1 1 1 GLY HA3 H 1 3.67 0.005 . 2 . . . . 1 GLY HA3 . 7104 1 3 . 1 1 2 2 PRO HA H 1 4.23 0.005 . 1 . . . . 2 PRO HA . 7104 1 4 . 1 1 2 2 PRO HB2 H 1 2.10 0.005 . 2 . . . . 2 PRO HB2 . 7104 1 5 . 1 1 2 2 PRO HB3 H 1 1.92 0.005 . 2 . . . . 2 PRO HB3 . 7104 1 6 . 1 1 2 2 PRO HG2 H 1 1.62 0.005 . 2 . . . . 2 PRO HG2 . 7104 1 7 . 1 1 2 2 PRO HG3 H 1 1.56 0.005 . 2 . . . . 2 PRO HG3 . 7104 1 8 . 1 1 2 2 PRO HD2 H 1 3.39 0.005 . 2 . . . . 2 PRO HD2 . 7104 1 9 . 1 1 2 2 PRO HD3 H 1 3.00 0.005 . 2 . . . . 2 PRO HD3 . 7104 1 10 . 1 1 3 3 SER H H 1 8.14 0.005 . 1 . . . . 3 SER H . 7104 1 11 . 1 1 3 3 SER HA H 1 4.46 0.005 . 1 . . . . 3 SER HA . 7104 1 12 . 1 1 3 3 SER HB2 H 1 3.91 0.005 . 2 . . . . 3 SER HB2 . 7104 1 13 . 1 1 3 3 SER N N 15 110.71 0.01 . 1 . . . . 3 SER N . 7104 1 14 . 1 1 4 4 ALA H H 1 8.67 0.005 . 1 . . . . 4 ALA H . 7104 1 15 . 1 1 4 4 ALA HA H 1 4.53 0.005 . 1 . . . . 4 ALA HA . 7104 1 16 . 1 1 4 4 ALA HB1 H 1 1.38 0.005 . 1 . . . . 4 ALA HB . 7104 1 17 . 1 1 4 4 ALA HB2 H 1 1.38 0.005 . 1 . . . . 4 ALA HB . 7104 1 18 . 1 1 4 4 ALA HB3 H 1 1.38 0.005 . 1 . . . . 4 ALA HB . 7104 1 19 . 1 1 4 4 ALA N N 15 122.64 0.01 . 1 . . . . 4 ALA N . 7104 1 20 . 1 1 5 5 PRO HA H 1 4.46 0.005 . 1 . . . . 5 PRO HA . 7104 1 21 . 1 1 5 5 PRO HB2 H 1 1.58 0.005 . 2 . . . . 5 PRO HB2 . 7104 1 22 . 1 1 5 5 PRO HG2 H 1 1.80 0.005 . 2 . . . . 5 PRO HG2 . 7104 1 23 . 1 1 5 5 PRO HG3 H 1 1.70 0.005 . 2 . . . . 5 PRO HG3 . 7104 1 24 . 1 1 5 5 PRO HD2 H 1 3.79 0.005 . 2 . . . . 5 PRO HD2 . 7104 1 25 . 1 1 5 5 PRO HD3 H 1 3.65 0.005 . 2 . . . . 5 PRO HD3 . 7104 1 26 . 1 1 6 6 LYS H H 1 8.10 0.005 . 1 . . . . 6 LYS H . 7104 1 27 . 1 1 6 6 LYS HA H 1 4.48 0.005 . 1 . . . . 6 LYS HA . 7104 1 28 . 1 1 6 6 LYS HB2 H 1 1.80 0.005 . 2 . . . . 6 LYS HB2 . 7104 1 29 . 1 1 6 6 LYS HB3 H 1 1.58 0.005 . 2 . . . . 6 LYS HB3 . 7104 1 30 . 1 1 6 6 LYS HE2 H 1 2.93 0.005 . 2 . . . . 6 LYS HE2 . 7104 1 31 . 1 1 6 6 LYS N N 15 114.20 0.01 . 1 . . . . 6 LYS N . 7104 1 32 . 1 1 7 7 LEU H H 1 8.23 0.005 . 1 . . . . 7 LEU H . 7104 1 33 . 1 1 7 7 LEU HA H 1 5.26 0.005 . 1 . . . . 7 LEU HA . 7104 1 34 . 1 1 7 7 LEU HB2 H 1 1.60 0.005 . 2 . . . . 7 LEU HB2 . 7104 1 35 . 1 1 7 7 LEU HG H 1 1.39 0.005 . 1 . . . . 7 LEU HG . 7104 1 36 . 1 1 7 7 LEU HD11 H 1 0.60 0.005 . 2 . . . . 7 LEU HD1 . 7104 1 37 . 1 1 7 7 LEU HD12 H 1 0.60 0.005 . 2 . . . . 7 LEU HD1 . 7104 1 38 . 1 1 7 7 LEU HD13 H 1 0.60 0.005 . 2 . . . . 7 LEU HD1 . 7104 1 39 . 1 1 7 7 LEU HD21 H 1 0.48 0.005 . 2 . . . . 7 LEU HD2 . 7104 1 40 . 1 1 7 7 LEU HD22 H 1 0.48 0.005 . 2 . . . . 7 LEU HD2 . 7104 1 41 . 1 1 7 7 LEU HD23 H 1 0.48 0.005 . 2 . . . . 7 LEU HD2 . 7104 1 42 . 1 1 7 7 LEU N N 15 116.38 0.01 . 1 . . . . 7 LEU N . 7104 1 43 . 1 1 8 8 GLU H H 1 7.77 0.005 . 1 . . . . 8 GLU H . 7104 1 44 . 1 1 8 8 GLU HA H 1 4.31 0.005 . 1 . . . . 8 GLU HA . 7104 1 45 . 1 1 8 8 GLU HB2 H 1 1.70 0.005 . 2 . . . . 8 GLU HB2 . 7104 1 46 . 1 1 8 8 GLU HB3 H 1 1.91 0.005 . 2 . . . . 8 GLU HB3 . 7104 1 47 . 1 1 8 8 GLU HG2 H 1 2.06 0.005 . 2 . . . . 8 GLU HG2 . 7104 1 48 . 1 1 8 8 GLU HG3 H 1 2.10 0.005 . 2 . . . . 8 GLU HG3 . 7104 1 49 . 1 1 8 8 GLU N N 15 115.39 0.01 . 1 . . . . 8 GLU N . 7104 1 50 . 1 1 9 9 GLY H H 1 8.60 0.005 . 1 . . . . 9 GLY H . 7104 1 51 . 1 1 9 9 GLY HA2 H 1 3.16 0.005 . 2 . . . . 9 GLY HA2 . 7104 1 52 . 1 1 9 9 GLY HA3 H 1 4.72 0.005 . 2 . . . . 9 GLY HA3 . 7104 1 53 . 1 1 9 9 GLY N N 15 106.53 0.01 . 1 . . . . 9 GLY N . 7104 1 54 . 1 1 10 10 GLN H H 1 8.60 0.005 . 1 . . . . 10 GLN H . 7104 1 55 . 1 1 10 10 GLN HA H 1 4.55 0.005 . 1 . . . . 10 GLN HA . 7104 1 56 . 1 1 10 10 GLN HB2 H 1 1.85 0.005 . 2 . . . . 10 GLN HB2 . 7104 1 57 . 1 1 10 10 GLN HB3 H 1 1.90 0.005 . 2 . . . . 10 GLN HB3 . 7104 1 58 . 1 1 10 10 GLN HG2 H 1 2.15 0.005 . 2 . . . . 10 GLN HG2 . 7104 1 59 . 1 1 10 10 GLN HG3 H 1 2.17 0.005 . 2 . . . . 10 GLN HG3 . 7104 1 60 . 1 1 10 10 GLN HE21 H 1 7.52 0.005 . 2 . . . . 10 GLN HE21 . 7104 1 61 . 1 1 10 10 GLN HE22 H 1 6.75 0.005 . 2 . . . . 10 GLN HE22 . 7104 1 62 . 1 1 10 10 GLN N N 15 117.66 0.01 . 1 . . . . 10 GLN N . 7104 1 63 . 1 1 10 10 GLN NE2 N 15 107.81 0.01 . 1 . . . . 10 GLN NE2 . 7104 1 64 . 1 1 11 11 MET H H 1 9.01 0.005 . 1 . . . . 11 MET H . 7104 1 65 . 1 1 11 11 MET HA H 1 4.49 0.005 . 1 . . . . 11 MET HA . 7104 1 66 . 1 1 11 11 MET HB2 H 1 2.13 0.005 . 2 . . . . 11 MET HB2 . 7104 1 67 . 1 1 11 11 MET HB3 H 1 2.00 0.005 . 2 . . . . 11 MET HB3 . 7104 1 68 . 1 1 11 11 MET HG2 H 1 2.88 0.005 . 2 . . . . 11 MET HG2 . 7104 1 69 . 1 1 11 11 MET HG3 H 1 2.68 0.005 . 2 . . . . 11 MET HG3 . 7104 1 70 . 1 1 11 11 MET HE1 H 1 2.07 0.005 . 1 . . . . 11 MET HE . 7104 1 71 . 1 1 11 11 MET HE2 H 1 2.07 0.005 . 1 . . . . 11 MET HE . 7104 1 72 . 1 1 11 11 MET HE3 H 1 2.07 0.005 . 1 . . . . 11 MET HE . 7104 1 73 . 1 1 11 11 MET N N 15 122.88 0.01 . 1 . . . . 11 MET N . 7104 1 74 . 1 1 12 12 GLY H H 1 8.53 0.005 . 1 . . . . 12 GLY H . 7104 1 75 . 1 1 12 12 GLY HA2 H 1 4.07 0.005 . 2 . . . . 12 GLY HA2 . 7104 1 76 . 1 1 12 12 GLY HA3 H 1 3.74 0.005 . 2 . . . . 12 GLY HA3 . 7104 1 77 . 1 1 12 12 GLY N N 15 106.73 0.01 . 1 . . . . 12 GLY N . 7104 1 78 . 1 1 13 13 GLU H H 1 8.85 0.005 . 1 . . . . 13 GLU H . 7104 1 79 . 1 1 13 13 GLU HA H 1 4.01 0.005 . 1 . . . . 13 GLU HA . 7104 1 80 . 1 1 13 13 GLU HB2 H 1 1.96 0.005 . 2 . . . . 13 GLU HB2 . 7104 1 81 . 1 1 13 13 GLU HB3 H 1 2.04 0.005 . 2 . . . . 13 GLU HB3 . 7104 1 82 . 1 1 13 13 GLU HG2 H 1 2.30 0.005 . 2 . . . . 13 GLU HG2 . 7104 1 83 . 1 1 13 13 GLU N N 15 118.23 0.01 . 1 . . . . 13 GLU N . 7104 1 84 . 1 1 14 14 ASP H H 1 8.05 0.005 . 1 . . . . 14 ASP H . 7104 1 85 . 1 1 14 14 ASP HA H 1 4.49 0.005 . 1 . . . . 14 ASP HA . 7104 1 86 . 1 1 14 14 ASP HB2 H 1 2.76 0.005 . 2 . . . . 14 ASP HB2 . 7104 1 87 . 1 1 14 14 ASP HB3 H 1 2.99 0.005 . 2 . . . . 14 ASP HB3 . 7104 1 88 . 1 1 14 14 ASP N N 15 111.65 0.01 . 1 . . . . 14 ASP N . 7104 1 89 . 1 1 15 15 GLY H H 1 7.91 0.005 . 1 . . . . 15 GLY H . 7104 1 90 . 1 1 15 15 GLY HA2 H 1 4.81 0.005 . 2 . . . . 15 GLY HA2 . 7104 1 91 . 1 1 15 15 GLY HA3 H 1 3.88 0.005 . 2 . . . . 15 GLY HA3 . 7104 1 92 . 1 1 15 15 GLY N N 15 103.37 0.01 . 1 . . . . 15 GLY N . 7104 1 93 . 1 1 16 16 ASN H H 1 7.68 0.005 . 1 . . . . 16 ASN H . 7104 1 94 . 1 1 16 16 ASN HA H 1 4.32 0.005 . 1 . . . . 16 ASN HA . 7104 1 95 . 1 1 16 16 ASN HB2 H 1 1.98 0.005 . 2 . . . . 16 ASN HB2 . 7104 1 96 . 1 1 16 16 ASN HB3 H 1 0.58 0.005 . 2 . . . . 16 ASN HB3 . 7104 1 97 . 1 1 16 16 ASN HD21 H 1 6.86 0.005 . 2 . . . . 16 ASN HD21 . 7104 1 98 . 1 1 16 16 ASN HD22 H 1 6.42 0.005 . 2 . . . . 16 ASN HD22 . 7104 1 99 . 1 1 16 16 ASN N N 15 114.01 0.01 . 1 . . . . 16 ASN N . 7104 1 100 . 1 1 16 16 ASN ND2 N 15 105.26 0.01 . 1 . . . . 16 ASN ND2 . 7104 1 101 . 1 1 17 17 SER H H 1 7.13 0.005 . 1 . . . . 17 SER H . 7104 1 102 . 1 1 17 17 SER HA H 1 4.90 0.005 . 1 . . . . 17 SER HA . 7104 1 103 . 1 1 17 17 SER HB2 H 1 3.66 0.005 . 2 . . . . 17 SER HB2 . 7104 1 104 . 1 1 17 17 SER HB3 H 1 4.03 0.005 . 2 . . . . 17 SER HB3 . 7104 1 105 . 1 1 17 17 SER N N 15 105.31 0.01 . 1 . . . . 17 SER N . 7104 1 106 . 1 1 18 18 ILE H H 1 8.73 0.005 . 1 . . . . 18 ILE H . 7104 1 107 . 1 1 18 18 ILE HA H 1 4.34 0.005 . 1 . . . . 18 ILE HA . 7104 1 108 . 1 1 18 18 ILE HB H 1 1.23 0.005 . 1 . . . . 18 ILE HB . 7104 1 109 . 1 1 18 18 ILE HG12 H 1 0.92 0.005 . 2 . . . . 18 ILE HG12 . 7104 1 110 . 1 1 18 18 ILE HG13 H 1 0.25 0.005 . 2 . . . . 18 ILE HG13 . 7104 1 111 . 1 1 18 18 ILE HG21 H 1 0.02 0.005 . 1 . . . . 18 ILE HG2 . 7104 1 112 . 1 1 18 18 ILE HG22 H 1 0.02 0.005 . 1 . . . . 18 ILE HG2 . 7104 1 113 . 1 1 18 18 ILE HG23 H 1 0.02 0.005 . 1 . . . . 18 ILE HG2 . 7104 1 114 . 1 1 18 18 ILE HD11 H 1 -0.05 0.005 . 1 . . . . 18 ILE HD1 . 7104 1 115 . 1 1 18 18 ILE HD12 H 1 -0.05 0.005 . 1 . . . . 18 ILE HD1 . 7104 1 116 . 1 1 18 18 ILE HD13 H 1 -0.05 0.005 . 1 . . . . 18 ILE HD1 . 7104 1 117 . 1 1 18 18 ILE N N 15 114.18 0.01 . 1 . . . . 18 ILE N . 7104 1 118 . 1 1 19 19 LYS H H 1 7.99 0.005 . 1 . . . . 19 LYS H . 7104 1 119 . 1 1 19 19 LYS HA H 1 4.67 0.005 . 1 . . . . 19 LYS HA . 7104 1 120 . 1 1 19 19 LYS HB2 H 1 1.70 0.005 . 2 . . . . 19 LYS HB2 . 7104 1 121 . 1 1 19 19 LYS HG2 H 1 1.24 0.005 . 4 . . . . 19 LYS HG2 . 7104 1 122 . 1 1 19 19 LYS HG3 H 1 1.31 0.005 . 4 . . . . 19 LYS HG3 . 7104 1 123 . 1 1 19 19 LYS HD2 H 1 0.91 0.005 . 4 . . . . 19 LYS HD2 . 7104 1 124 . 1 1 19 19 LYS N N 15 123.49 0.01 . 1 . . . . 19 LYS N . 7104 1 125 . 1 1 20 20 VAL H H 1 8.90 0.005 . 1 . . . . 20 VAL H . 7104 1 126 . 1 1 20 20 VAL HA H 1 4.02 0.005 . 1 . . . . 20 VAL HA . 7104 1 127 . 1 1 20 20 VAL HB H 1 1.91 0.005 . 1 . . . . 20 VAL HB . 7104 1 128 . 1 1 20 20 VAL HG11 H 1 0.30 0.005 . 1 . . . . 20 VAL HG1 . 7104 1 129 . 1 1 20 20 VAL HG12 H 1 0.30 0.005 . 1 . . . . 20 VAL HG1 . 7104 1 130 . 1 1 20 20 VAL HG13 H 1 0.30 0.005 . 1 . . . . 20 VAL HG1 . 7104 1 131 . 1 1 20 20 VAL HG21 H 1 0.42 0.005 . 1 . . . . 20 VAL HG2 . 7104 1 132 . 1 1 20 20 VAL HG22 H 1 0.42 0.005 . 1 . . . . 20 VAL HG2 . 7104 1 133 . 1 1 20 20 VAL HG23 H 1 0.42 0.005 . 1 . . . . 20 VAL HG2 . 7104 1 134 . 1 1 20 20 VAL N N 15 123.55 0.01 . 1 . . . . 20 VAL N . 7104 1 135 . 1 1 21 21 ASN H H 1 8.86 0.005 . 1 . . . . 21 ASN H . 7104 1 136 . 1 1 21 21 ASN HA H 1 4.75 0.005 . 1 . . . . 21 ASN HA . 7104 1 137 . 1 1 21 21 ASN HB2 H 1 2.54 0.005 . 2 . . . . 21 ASN HB2 . 7104 1 138 . 1 1 21 21 ASN HD21 H 1 7.10 0.005 . 2 . . . . 21 ASN HD21 . 7104 1 139 . 1 1 21 21 ASN HD22 H 1 6.57 0.005 . 2 . . . . 21 ASN HD22 . 7104 1 140 . 1 1 21 21 ASN N N 15 121.70 0.01 . 1 . . . . 21 ASN N . 7104 1 141 . 1 1 21 21 ASN ND2 N 15 106.86 0.01 . 1 . . . . 21 ASN ND2 . 7104 1 142 . 1 1 22 22 LEU H H 1 7.92 0.005 . 1 . . . . 22 LEU H . 7104 1 143 . 1 1 22 22 LEU HA H 1 4.33 0.005 . 1 . . . . 22 LEU HA . 7104 1 144 . 1 1 22 22 LEU HB2 H 1 1.14 0.005 . 2 . . . . 22 LEU HB2 . 7104 1 145 . 1 1 22 22 LEU HB3 H 1 0.62 0.005 . 4 . . . . 22 LEU HB3 . 7104 1 146 . 1 1 22 22 LEU HG H 1 0.99 0.005 . 1 . . . . 22 LEU HG . 7104 1 147 . 1 1 22 22 LEU HD11 H 1 -0.085 0.005 . 2 . . . . 22 LEU HD1 . 7104 1 148 . 1 1 22 22 LEU HD12 H 1 -0.085 0.005 . 2 . . . . 22 LEU HD1 . 7104 1 149 . 1 1 22 22 LEU HD13 H 1 -0.085 0.005 . 2 . . . . 22 LEU HD1 . 7104 1 150 . 1 1 22 22 LEU HD21 H 1 0.02 0.005 . 2 . . . . 22 LEU HD2 . 7104 1 151 . 1 1 22 22 LEU HD22 H 1 0.02 0.005 . 2 . . . . 22 LEU HD2 . 7104 1 152 . 1 1 22 22 LEU HD23 H 1 0.02 0.005 . 2 . . . . 22 LEU HD2 . 7104 1 153 . 1 1 22 22 LEU N N 15 117.21 0.01 . 1 . . . . 22 LEU N . 7104 1 154 . 1 1 23 23 ILE H H 1 8.90 0.005 . 1 . . . . 23 ILE H . 7104 1 155 . 1 1 23 23 ILE HA H 1 4.10 0.005 . 1 . . . . 23 ILE HA . 7104 1 156 . 1 1 23 23 ILE HB H 1 1.74 0.005 . 1 . . . . 23 ILE HB . 7104 1 157 . 1 1 23 23 ILE HG12 H 1 1.02 0.005 . 2 . . . . 23 ILE HG12 . 7104 1 158 . 1 1 23 23 ILE HG13 H 1 1.17 0.005 . 2 . . . . 23 ILE HG13 . 7104 1 159 . 1 1 23 23 ILE HG21 H 1 0.79 0.005 . 1 . . . . 23 ILE HG2 . 7104 1 160 . 1 1 23 23 ILE HG22 H 1 0.79 0.005 . 1 . . . . 23 ILE HG2 . 7104 1 161 . 1 1 23 23 ILE HG23 H 1 0.79 0.005 . 1 . . . . 23 ILE HG2 . 7104 1 162 . 1 1 23 23 ILE HD11 H 1 0.58 0.005 . 1 . . . . 23 ILE HD1 . 7104 1 163 . 1 1 23 23 ILE HD12 H 1 0.58 0.005 . 1 . . . . 23 ILE HD1 . 7104 1 164 . 1 1 23 23 ILE HD13 H 1 0.58 0.005 . 1 . . . . 23 ILE HD1 . 7104 1 165 . 1 1 23 23 ILE N N 15 122.83 0.01 . 1 . . . . 23 ILE N . 7104 1 166 . 1 1 24 24 LYS H H 1 8.37 0.005 . 1 . . . . 24 LYS H . 7104 1 167 . 1 1 24 24 LYS HA H 1 4.08 0.005 . 1 . . . . 24 LYS HA . 7104 1 168 . 1 1 24 24 LYS HB2 H 1 1.78 0.005 . 2 . . . . 24 LYS HB2 . 7104 1 169 . 1 1 24 24 LYS HG2 H 1 1.43 0.005 . 2 . . . . 24 LYS HG2 . 7104 1 170 . 1 1 24 24 LYS HE2 H 1 2.99 0.005 . 2 . . . . 24 LYS HE2 . 7104 1 171 . 1 1 24 24 LYS N N 15 123.77 0.01 . 1 . . . . 24 LYS N . 7104 1 172 . 1 1 25 25 GLN H H 1 8.49 0.005 . 1 . . . . 25 GLN H . 7104 1 173 . 1 1 25 25 GLN HA H 1 4.57 0.005 . 1 . . . . 25 GLN HA . 7104 1 174 . 1 1 25 25 GLN HB2 H 1 1.71 0.005 . 2 . . . . 25 GLN HB2 . 7104 1 175 . 1 1 25 25 GLN HB3 H 1 2.21 0.005 . 2 . . . . 25 GLN HB3 . 7104 1 176 . 1 1 25 25 GLN HG2 H 1 2.46 0.005 . 2 . . . . 25 GLN HG2 . 7104 1 177 . 1 1 25 25 GLN HG3 H 1 2.58 0.005 . 2 . . . . 25 GLN HG3 . 7104 1 178 . 1 1 25 25 GLN HE21 H 1 7.20 0.005 . 2 . . . . 25 GLN HE21 . 7104 1 179 . 1 1 25 25 GLN HE22 H 1 7.07 0.005 . 2 . . . . 25 GLN HE22 . 7104 1 180 . 1 1 25 25 GLN N N 15 117.89 0.01 . 1 . . . . 25 GLN N . 7104 1 181 . 1 1 25 25 GLN NE2 N 15 110.71 0.01 . 1 . . . . 25 GLN NE2 . 7104 1 182 . 1 1 26 26 ASP H H 1 8.15 0.005 . 1 . . . . 26 ASP H . 7104 1 183 . 1 1 26 26 ASP HA H 1 4.80 0.005 . 1 . . . . 26 ASP HA . 7104 1 184 . 1 1 26 26 ASP HB2 H 1 2.65 0.005 . 2 . . . . 26 ASP HB2 . 7104 1 185 . 1 1 26 26 ASP N N 15 116.14 0.01 . 1 . . . . 26 ASP N . 7104 1 186 . 1 1 27 27 ASP H H 1 8.25 0.005 . 1 . . . . 27 ASP H . 7104 1 187 . 1 1 27 27 ASP HA H 1 4.41 0.005 . 1 . . . . 27 ASP HA . 7104 1 188 . 1 1 27 27 ASP HB2 H 1 3.40 0.005 . 2 . . . . 27 ASP HB2 . 7104 1 189 . 1 1 27 27 ASP HB3 H 1 2.55 0.005 . 2 . . . . 27 ASP HB3 . 7104 1 190 . 1 1 27 27 ASP N N 15 119.23 0.01 . 1 . . . . 27 ASP N . 7104 1 191 . 1 1 28 28 GLY H H 1 8.54 0.005 . 1 . . . . 28 GLY H . 7104 1 192 . 1 1 28 28 GLY HA2 H 1 3.87 0.005 . 2 . . . . 28 GLY HA2 . 7104 1 193 . 1 1 28 28 GLY HA3 H 1 3.64 0.005 . 2 . . . . 28 GLY HA3 . 7104 1 194 . 1 1 28 28 GLY N N 15 103.07 0.01 . 1 . . . . 28 GLY N . 7104 1 195 . 1 1 29 29 GLY H H 1 8.56 0.005 . 1 . . . . 29 GLY H . 7104 1 196 . 1 1 29 29 GLY HA2 H 1 4.18 0.005 . 2 . . . . 29 GLY HA2 . 7104 1 197 . 1 1 29 29 GLY HA3 H 1 3.67 0.005 . 2 . . . . 29 GLY HA3 . 7104 1 198 . 1 1 29 29 GLY N N 15 103.70 0.01 . 1 . . . . 29 GLY N . 7104 1 199 . 1 1 30 30 SER H H 1 7.37 0.005 . 1 . . . . 30 SER H . 7104 1 200 . 1 1 30 30 SER HA H 1 4.79 0.005 . 1 . . . . 30 SER HA . 7104 1 201 . 1 1 30 30 SER HB2 H 1 3.75 0.005 . 2 . . . . 30 SER HB2 . 7104 1 202 . 1 1 30 30 SER HB3 H 1 3.62 0.005 . 2 . . . . 30 SER HB3 . 7104 1 203 . 1 1 30 30 SER N N 15 111.89 0.01 . 1 . . . . 30 SER N . 7104 1 204 . 1 1 31 31 PRO HA H 1 4.33 0.005 . 1 . . . . 31 PRO HA . 7104 1 205 . 1 1 31 31 PRO HB2 H 1 2.23 0.005 . 2 . . . . 31 PRO HB2 . 7104 1 206 . 1 1 31 31 PRO HB3 H 1 1.74 0.005 . 2 . . . . 31 PRO HB3 . 7104 1 207 . 1 1 31 31 PRO HG2 H 1 1.96 0.005 . 2 . . . . 31 PRO HG2 . 7104 1 208 . 1 1 31 31 PRO HD2 H 1 3.73 0.005 . 2 . . . . 31 PRO HD2 . 7104 1 209 . 1 1 31 31 PRO HD3 H 1 3.58 0.005 . 2 . . . . 31 PRO HD3 . 7104 1 210 . 1 1 32 32 ILE H H 1 8.69 0.005 . 1 . . . . 32 ILE H . 7104 1 211 . 1 1 32 32 ILE HA H 1 3.52 0.005 . 1 . . . . 32 ILE HA . 7104 1 212 . 1 1 32 32 ILE HB H 1 1.71 0.005 . 1 . . . . 32 ILE HB . 7104 1 213 . 1 1 32 32 ILE HG12 H 1 1.61 0.005 . 2 . . . . 32 ILE HG12 . 7104 1 214 . 1 1 32 32 ILE HG13 H 1 1.19 0.005 . 2 . . . . 32 ILE HG13 . 7104 1 215 . 1 1 32 32 ILE HG21 H 1 0.29 0.005 . 1 . . . . 32 ILE HG2 . 7104 1 216 . 1 1 32 32 ILE HG22 H 1 0.29 0.005 . 1 . . . . 32 ILE HG2 . 7104 1 217 . 1 1 32 32 ILE HG23 H 1 0.29 0.005 . 1 . . . . 32 ILE HG2 . 7104 1 218 . 1 1 32 32 ILE HD11 H 1 0.80 0.005 . 1 . . . . 32 ILE HD1 . 7104 1 219 . 1 1 32 32 ILE HD12 H 1 0.80 0.005 . 1 . . . . 32 ILE HD1 . 7104 1 220 . 1 1 32 32 ILE HD13 H 1 0.80 0.005 . 1 . . . . 32 ILE HD1 . 7104 1 221 . 1 1 32 32 ILE N N 15 118.27 0.01 . 1 . . . . 32 ILE N . 7104 1 222 . 1 1 33 33 ARG H H 1 9.09 0.005 . 1 . . . . 33 ARG H . 7104 1 223 . 1 1 33 33 ARG HA H 1 4.20 0.005 . 1 . . . . 33 ARG HA . 7104 1 224 . 1 1 33 33 ARG HB2 H 1 1.58 0.005 . 2 . . . . 33 ARG HB2 . 7104 1 225 . 1 1 33 33 ARG HB3 H 1 1.28 0.005 . 2 . . . . 33 ARG HB3 . 7104 1 226 . 1 1 33 33 ARG HG2 H 1 1.48 0.005 . 2 . . . . 33 ARG HG2 . 7104 1 227 . 1 1 33 33 ARG HD2 H 1 2.91 0.005 . 2 . . . . 33 ARG HD2 . 7104 1 228 . 1 1 33 33 ARG HD3 H 1 2.94 0.005 . 2 . . . . 33 ARG HD3 . 7104 1 229 . 1 1 33 33 ARG N N 15 122.71 0.01 . 1 . . . . 33 ARG N . 7104 1 230 . 1 1 34 34 HIS H H 1 7.18 0.005 . 1 . . . . 34 HIS H . 7104 1 231 . 1 1 34 34 HIS HB2 H 1 3.42 0.005 . 2 . . . . 34 HIS HB2 . 7104 1 232 . 1 1 34 34 HIS HB3 H 1 2.90 0.005 . 2 . . . . 34 HIS HB3 . 7104 1 233 . 1 1 34 34 HIS HD1 H 1 6.48 0.005 . 1 . . . . 34 HIS HD1 . 7104 1 234 . 1 1 34 34 HIS HD2 H 1 7.45 0.005 . 1 . . . . 34 HIS HD2 . 7104 1 235 . 1 1 35 35 TYR H H 1 8.94 0.005 . 1 . . . . 35 TYR H . 7104 1 236 . 1 1 35 35 TYR HA H 1 5.41 0.005 . 1 . . . . 35 TYR HA . 7104 1 237 . 1 1 35 35 TYR HB2 H 1 2.61 0.005 . 2 . . . . 35 TYR HB2 . 7104 1 238 . 1 1 35 35 TYR HB3 H 1 2.56 0.005 . 2 . . . . 35 TYR HB3 . 7104 1 239 . 1 1 35 35 TYR HD1 H 1 6.69 0.005 . 3 . . . . 35 TYR HD1 . 7104 1 240 . 1 1 35 35 TYR HE1 H 1 6.75 0.005 . 3 . . . . 35 TYR HE1 . 7104 1 241 . 1 1 35 35 TYR N N 15 110.85 0.01 . 1 . . . . 35 TYR N . 7104 1 242 . 1 1 36 36 LEU H H 1 9.46 0.005 . 1 . . . . 36 LEU H . 7104 1 243 . 1 1 36 36 LEU HA H 1 5.19 0.005 . 1 . . . . 36 LEU HA . 7104 1 244 . 1 1 36 36 LEU HB2 H 1 1.69 0.005 . 2 . . . . 36 LEU HB2 . 7104 1 245 . 1 1 36 36 LEU HG H 1 1.44 0.005 . 1 . . . . 36 LEU HG . 7104 1 246 . 1 1 36 36 LEU HD11 H 1 0.65 0.005 . 2 . . . . 36 LEU HD1 . 7104 1 247 . 1 1 36 36 LEU HD12 H 1 0.65 0.005 . 2 . . . . 36 LEU HD1 . 7104 1 248 . 1 1 36 36 LEU HD13 H 1 0.65 0.005 . 2 . . . . 36 LEU HD1 . 7104 1 249 . 1 1 36 36 LEU HD21 H 1 0.81 0.005 . 2 . . . . 36 LEU HD2 . 7104 1 250 . 1 1 36 36 LEU HD22 H 1 0.81 0.005 . 2 . . . . 36 LEU HD2 . 7104 1 251 . 1 1 36 36 LEU HD23 H 1 0.81 0.005 . 2 . . . . 36 LEU HD2 . 7104 1 252 . 1 1 36 36 LEU N N 15 118.51 0.01 . 1 . . . . 36 LEU N . 7104 1 253 . 1 1 37 37 VAL H H 1 9.43 0.005 . 1 . . . . 37 VAL H . 7104 1 254 . 1 1 37 37 VAL HA H 1 5.05 0.005 . 1 . . . . 37 VAL HA . 7104 1 255 . 1 1 37 37 VAL HB H 1 2.19 0.005 . 1 . . . . 37 VAL HB . 7104 1 256 . 1 1 37 37 VAL HG11 H 1 0.88 0.005 . 2 . . . . 37 VAL HG1 . 7104 1 257 . 1 1 37 37 VAL HG12 H 1 0.88 0.005 . 2 . . . . 37 VAL HG1 . 7104 1 258 . 1 1 37 37 VAL HG13 H 1 0.88 0.005 . 2 . . . . 37 VAL HG1 . 7104 1 259 . 1 1 37 37 VAL N N 15 121.24 0.01 . 1 . . . . 37 VAL N . 7104 1 260 . 1 1 38 38 LYS H H 1 9.15 0.005 . 1 . . . . 38 LYS H . 7104 1 261 . 1 1 38 38 LYS HA H 1 5.63 0.005 . 1 . . . . 38 LYS HA . 7104 1 262 . 1 1 38 38 LYS HB2 H 1 1.68 0.005 . 2 . . . . 38 LYS HB2 . 7104 1 263 . 1 1 38 38 LYS HB3 H 1 1.55 0.005 . 2 . . . . 38 LYS HB3 . 7104 1 264 . 1 1 38 38 LYS HG2 H 1 1.28 0.005 . 2 . . . . 38 LYS HG2 . 7104 1 265 . 1 1 38 38 LYS HG3 H 1 1.21 0.005 . 2 . . . . 38 LYS HG3 . 7104 1 266 . 1 1 38 38 LYS HD2 H 1 0.99 0.005 . 2 . . . . 38 LYS HD2 . 7104 1 267 . 1 1 38 38 LYS HD3 H 1 0.91 0.005 . 2 . . . . 38 LYS HD3 . 7104 1 268 . 1 1 38 38 LYS HE2 H 1 1.81 0.005 . 2 . . . . 38 LYS HE2 . 7104 1 269 . 1 1 38 38 LYS N N 15 121.86 0.01 . 1 . . . . 38 LYS N . 7104 1 270 . 1 1 39 39 TYR H H 1 9.33 0.005 . 1 . . . . 39 TYR H . 7104 1 271 . 1 1 39 39 TYR HA H 1 6.25 0.005 . 1 . . . . 39 TYR HA . 7104 1 272 . 1 1 39 39 TYR HB2 H 1 3.26 0.005 . 2 . . . . 39 TYR HB2 . 7104 1 273 . 1 1 39 39 TYR HB3 H 1 3.08 0.005 . 2 . . . . 39 TYR HB3 . 7104 1 274 . 1 1 39 39 TYR HD1 H 1 6.91 0.005 . 3 . . . . 39 TYR HD1 . 7104 1 275 . 1 1 39 39 TYR HE1 H 1 6.72 0.005 . 3 . . . . 39 TYR HE1 . 7104 1 276 . 1 1 39 39 TYR N N 15 115.66 0.01 . 1 . . . . 39 TYR N . 7104 1 277 . 1 1 40 40 ARG H H 1 8.67 0.005 . 1 . . . . 40 ARG H . 7104 1 278 . 1 1 40 40 ARG HA H 1 4.46 0.005 . 1 . . . . 40 ARG HA . 7104 1 279 . 1 1 40 40 ARG HB2 H 1 2.16 0.005 . 2 . . . . 40 ARG HB2 . 7104 1 280 . 1 1 40 40 ARG HG2 H 1 1.04 0.005 . 4 . . . . 40 ARG HG2 . 7104 1 281 . 1 1 40 40 ARG HG3 H 1 0.36 0.005 . 4 . . . . 40 ARG HG3 . 7104 1 282 . 1 1 40 40 ARG HD2 H 1 0.59 0.005 . 4 . . . . 40 ARG HD2 . 7104 1 283 . 1 1 40 40 ARG N N 15 108.70 0.01 . 1 . . . . 40 ARG N . 7104 1 284 . 1 1 41 41 ALA H H 1 8.61 0.005 . 1 . . . . 41 ALA H . 7104 1 285 . 1 1 41 41 ALA HA H 1 3.90 0.005 . 1 . . . . 41 ALA HA . 7104 1 286 . 1 1 41 41 ALA HB1 H 1 0.80 0.005 . 1 . . . . 41 ALA HB . 7104 1 287 . 1 1 41 41 ALA HB2 H 1 0.80 0.005 . 1 . . . . 41 ALA HB . 7104 1 288 . 1 1 41 41 ALA HB3 H 1 0.80 0.005 . 1 . . . . 41 ALA HB . 7104 1 289 . 1 1 41 41 ALA N N 15 121.27 0.01 . 1 . . . . 41 ALA N . 7104 1 290 . 1 1 42 42 LEU H H 1 7.92 0.005 . 1 . . . . 42 LEU H . 7104 1 291 . 1 1 42 42 LEU HA H 1 3.49 0.005 . 1 . . . . 42 LEU HA . 7104 1 292 . 1 1 42 42 LEU HB2 H 1 1.32 0.005 . 2 . . . . 42 LEU HB2 . 7104 1 293 . 1 1 42 42 LEU HD11 H 1 0.61 0.005 . 2 . . . . 42 LEU HD1 . 7104 1 294 . 1 1 42 42 LEU HD12 H 1 0.61 0.005 . 2 . . . . 42 LEU HD1 . 7104 1 295 . 1 1 42 42 LEU HD13 H 1 0.61 0.005 . 2 . . . . 42 LEU HD1 . 7104 1 296 . 1 1 42 42 LEU HD21 H 1 0.67 0.005 . 2 . . . . 42 LEU HD2 . 7104 1 297 . 1 1 42 42 LEU HD22 H 1 0.67 0.005 . 2 . . . . 42 LEU HD2 . 7104 1 298 . 1 1 42 42 LEU HD23 H 1 0.67 0.005 . 2 . . . . 42 LEU HD2 . 7104 1 299 . 1 1 42 42 LEU N N 15 117.57 0.01 . 1 . . . . 42 LEU N . 7104 1 300 . 1 1 43 43 ALA H H 1 8.11 0.005 . 1 . . . . 43 ALA H . 7104 1 301 . 1 1 43 43 ALA HA H 1 3.97 0.005 . 1 . . . . 43 ALA HA . 7104 1 302 . 1 1 43 43 ALA HB1 H 1 1.32 0.005 . 1 . . . . 43 ALA HB . 7104 1 303 . 1 1 43 43 ALA HB2 H 1 1.32 0.005 . 1 . . . . 43 ALA HB . 7104 1 304 . 1 1 43 43 ALA HB3 H 1 1.32 0.005 . 1 . . . . 43 ALA HB . 7104 1 305 . 1 1 43 43 ALA N N 15 114.11 0.01 . 1 . . . . 43 ALA N . 7104 1 306 . 1 1 44 44 SER H H 1 7.69 0.005 . 1 . . . . 44 SER H . 7104 1 307 . 1 1 44 44 SER HA H 1 4.69 0.005 . 1 . . . . 44 SER HA . 7104 1 308 . 1 1 44 44 SER HB2 H 1 3.71 0.005 . 2 . . . . 44 SER HB2 . 7104 1 309 . 1 1 44 44 SER HB3 H 1 3.79 0.005 . 2 . . . . 44 SER HB3 . 7104 1 310 . 1 1 44 44 SER N N 15 109.83 0.01 . 1 . . . . 44 SER N . 7104 1 311 . 1 1 45 45 GLU H H 1 8.19 0.005 . 1 . . . . 45 GLU H . 7104 1 312 . 1 1 45 45 GLU HA H 1 4.26 0.005 . 1 . . . . 45 GLU HA . 7104 1 313 . 1 1 45 45 GLU HB2 H 1 1.90 0.005 . 2 . . . . 45 GLU HB2 . 7104 1 314 . 1 1 45 45 GLU HB3 H 1 2.02 0.005 . 2 . . . . 45 GLU HB3 . 7104 1 315 . 1 1 45 45 GLU HG2 H 1 2.25 0.005 . 2 . . . . 45 GLU HG2 . 7104 1 316 . 1 1 45 45 GLU HG3 H 1 2.34 0.005 . 2 . . . . 45 GLU HG3 . 7104 1 317 . 1 1 45 45 GLU N N 15 115.21 0.01 . 1 . . . . 45 GLU N . 7104 1 318 . 1 1 46 46 TRP H H 1 7.94 0.005 . 1 . . . . 46 TRP H . 7104 1 319 . 1 1 46 46 TRP HA H 1 4.31 0.005 . 1 . . . . 46 TRP HA . 7104 1 320 . 1 1 46 46 TRP HB2 H 1 3.29 0.005 . 2 . . . . 46 TRP HB2 . 7104 1 321 . 1 1 46 46 TRP HB3 H 1 2.95 0.005 . 2 . . . . 46 TRP HB3 . 7104 1 322 . 1 1 46 46 TRP HE1 H 1 10.19 0.005 . 1 . . . . 46 TRP HE1 . 7104 1 323 . 1 1 46 46 TRP HE3 H 1 7.42 0.005 . 1 . . . . 46 TRP HE3 . 7104 1 324 . 1 1 46 46 TRP HZ2 H 1 7.36 0.005 . 1 . . . . 46 TRP HZ2 . 7104 1 325 . 1 1 46 46 TRP HZ3 H 1 6.86 0.005 . 1 . . . . 46 TRP HZ3 . 7104 1 326 . 1 1 46 46 TRP HH2 H 1 6.94 0.005 . 1 . . . . 46 TRP HH2 . 7104 1 327 . 1 1 46 46 TRP N N 15 116.51 0.01 . 1 . . . . 46 TRP N . 7104 1 328 . 1 1 46 46 TRP NE1 N 15 125.42 0.01 . 1 . . . . 46 TRP NE1 . 7104 1 329 . 1 1 47 47 LYS H H 1 8.08 0.005 . 1 . . . . 47 LYS H . 7104 1 330 . 1 1 47 47 LYS HA H 1 4.49 0.005 . 1 . . . . 47 LYS HA . 7104 1 331 . 1 1 47 47 LYS HB2 H 1 1.30 0.005 . 4 . . . . 47 LYS HB2 . 7104 1 332 . 1 1 47 47 LYS HB3 H 1 1.67 0.005 . 4 . . . . 47 LYS HB3 . 7104 1 333 . 1 1 47 47 LYS N N 15 119.08 0.01 . 1 . . . . 47 LYS N . 7104 1 334 . 1 1 48 48 PRO HA H 1 4.33 0.005 . 1 . . . . 48 PRO HA . 7104 1 335 . 1 1 48 48 PRO HB2 H 1 2.37 0.005 . 2 . . . . 48 PRO HB2 . 7104 1 336 . 1 1 48 48 PRO HB3 H 1 1.82 0.005 . 2 . . . . 48 PRO HB3 . 7104 1 337 . 1 1 48 48 PRO HG2 H 1 2.01 0.005 . 2 . . . . 48 PRO HG2 . 7104 1 338 . 1 1 48 48 PRO HD2 H 1 3.62 0.005 . 2 . . . . 48 PRO HD2 . 7104 1 339 . 1 1 48 48 PRO HD3 H 1 3.86 0.005 . 2 . . . . 48 PRO HD3 . 7104 1 340 . 1 1 49 49 GLU H H 1 8.49 0.005 . 1 . . . . 49 GLU H . 7104 1 341 . 1 1 49 49 GLU HA H 1 4.45 0.005 . 1 . . . . 49 GLU HA . 7104 1 342 . 1 1 49 49 GLU HB2 H 1 1.91 0.005 . 2 . . . . 49 GLU HB2 . 7104 1 343 . 1 1 49 49 GLU HG2 H 1 2.01 0.005 . 2 . . . . 49 GLU HG2 . 7104 1 344 . 1 1 49 49 GLU N N 15 120.87 0.01 . 1 . . . . 49 GLU N . 7104 1 345 . 1 1 50 50 ILE H H 1 9.12 0.005 . 1 . . . . 50 ILE H . 7104 1 346 . 1 1 50 50 ILE HA H 1 4.29 0.005 . 1 . . . . 50 ILE HA . 7104 1 347 . 1 1 50 50 ILE HB H 1 1.71 0.005 . 1 . . . . 50 ILE HB . 7104 1 348 . 1 1 50 50 ILE HG12 H 1 1.09 0.005 . 2 . . . . 50 ILE HG12 . 7104 1 349 . 1 1 50 50 ILE HG21 H 1 0.87 0.005 . 1 . . . . 50 ILE HG2 . 7104 1 350 . 1 1 50 50 ILE HG22 H 1 0.87 0.005 . 1 . . . . 50 ILE HG2 . 7104 1 351 . 1 1 50 50 ILE HG23 H 1 0.87 0.005 . 1 . . . . 50 ILE HG2 . 7104 1 352 . 1 1 50 50 ILE HD11 H 1 0.90 0.005 . 1 . . . . 50 ILE HD1 . 7104 1 353 . 1 1 50 50 ILE HD12 H 1 0.90 0.005 . 1 . . . . 50 ILE HD1 . 7104 1 354 . 1 1 50 50 ILE HD13 H 1 0.90 0.005 . 1 . . . . 50 ILE HD1 . 7104 1 355 . 1 1 50 50 ILE N N 15 121.55 0.01 . 1 . . . . 50 ILE N . 7104 1 356 . 1 1 51 51 ARG H H 1 8.64 0.005 . 1 . . . . 51 ARG H . 7104 1 357 . 1 1 51 51 ARG HA H 1 5.15 0.005 . 1 . . . . 51 ARG HA . 7104 1 358 . 1 1 51 51 ARG HB2 H 1 1.57 0.005 . 2 . . . . 51 ARG HB2 . 7104 1 359 . 1 1 51 51 ARG HG2 H 1 1.13 0.005 . 2 . . . . 51 ARG HG2 . 7104 1 360 . 1 1 51 51 ARG HG3 H 1 1.23 0.005 . 2 . . . . 51 ARG HG3 . 7104 1 361 . 1 1 51 51 ARG HD2 H 1 2.65 0.005 . 2 . . . . 51 ARG HD2 . 7104 1 362 . 1 1 51 51 ARG HD3 H 1 2.75 0.005 . 2 . . . . 51 ARG HD3 . 7104 1 363 . 1 1 51 51 ARG N N 15 122.92 0.01 . 1 . . . . 51 ARG N . 7104 1 364 . 1 1 52 52 LEU H H 1 9.50 0.005 . 1 . . . . 52 LEU H . 7104 1 365 . 1 1 52 52 LEU HA H 1 5.01 0.005 . 1 . . . . 52 LEU HA . 7104 1 366 . 1 1 52 52 LEU HB2 H 1 1.63 0.005 . 2 . . . . 52 LEU HB2 . 7104 1 367 . 1 1 52 52 LEU HB3 H 1 1.86 0.005 . 2 . . . . 52 LEU HB3 . 7104 1 368 . 1 1 52 52 LEU HG H 1 1.59 0.005 . 1 . . . . 52 LEU HG . 7104 1 369 . 1 1 52 52 LEU HD11 H 1 0.69 0.005 . 2 . . . . 52 LEU HD1 . 7104 1 370 . 1 1 52 52 LEU HD12 H 1 0.69 0.005 . 2 . . . . 52 LEU HD1 . 7104 1 371 . 1 1 52 52 LEU HD13 H 1 0.69 0.005 . 2 . . . . 52 LEU HD1 . 7104 1 372 . 1 1 52 52 LEU HD21 H 1 0.79 0.005 . 2 . . . . 52 LEU HD2 . 7104 1 373 . 1 1 52 52 LEU HD22 H 1 0.79 0.005 . 2 . . . . 52 LEU HD2 . 7104 1 374 . 1 1 52 52 LEU HD23 H 1 0.79 0.005 . 2 . . . . 52 LEU HD2 . 7104 1 375 . 1 1 52 52 LEU N N 15 124.23 0.01 . 1 . . . . 52 LEU N . 7104 1 376 . 1 1 53 53 PRO HB2 H 1 2.47 0.005 . 2 . . . . 53 PRO HB2 . 7104 1 377 . 1 1 53 53 PRO HG2 H 1 2.09 0.005 . 2 . . . . 53 PRO HG2 . 7104 1 378 . 1 1 53 53 PRO HG3 H 1 2.02 0.005 . 2 . . . . 53 PRO HG3 . 7104 1 379 . 1 1 53 53 PRO HD2 H 1 3.93 0.005 . 2 . . . . 53 PRO HD2 . 7104 1 380 . 1 1 53 53 PRO HD3 H 1 3.69 0.005 . 2 . . . . 53 PRO HD3 . 7104 1 381 . 1 1 55 55 GLY HA2 H 1 4.03 0.005 . 2 . . . . 55 GLY HA2 . 7104 1 382 . 1 1 55 55 GLY HA3 H 1 3.88 0.005 . 2 . . . . 55 GLY HA3 . 7104 1 383 . 1 1 56 56 SER H H 1 7.69 0.005 . 1 . . . . 56 SER H . 7104 1 384 . 1 1 56 56 SER HA H 1 4.40 0.005 . 1 . . . . 56 SER HA . 7104 1 385 . 1 1 56 56 SER HB2 H 1 3.77 0.005 . 2 . . . . 56 SER HB2 . 7104 1 386 . 1 1 56 56 SER HB3 H 1 3.71 0.005 . 2 . . . . 56 SER HB3 . 7104 1 387 . 1 1 56 56 SER N N 15 112.53 0.01 . 1 . . . . 56 SER N . 7104 1 388 . 1 1 57 57 ASP H H 1 8.71 0.005 . 1 . . . . 57 ASP H . 7104 1 389 . 1 1 57 57 ASP N N 15 115.77 0.01 . 1 . . . . 57 ASP N . 7104 1 390 . 1 1 58 58 HIS H H 1 7.46 0.005 . 1 . . . . 58 HIS H . 7104 1 391 . 1 1 58 58 HIS HA H 1 5.36 0.005 . 1 . . . . 58 HIS HA . 7104 1 392 . 1 1 58 58 HIS HB2 H 1 3.32 0.005 . 2 . . . . 58 HIS HB2 . 7104 1 393 . 1 1 58 58 HIS HB3 H 1 2.55 0.005 . 2 . . . . 58 HIS HB3 . 7104 1 394 . 1 1 58 58 HIS HD2 H 1 6.20 0.005 . 1 . . . . 58 HIS HD2 . 7104 1 395 . 1 1 58 58 HIS HE1 H 1 7.71 0.005 . 1 . . . . 58 HIS HE1 . 7104 1 396 . 1 1 58 58 HIS N N 15 109.78 0.01 . 1 . . . . 58 HIS N . 7104 1 397 . 1 1 59 59 VAL H H 1 8.66 0.005 . 1 . . . . 59 VAL H . 7104 1 398 . 1 1 59 59 VAL HA H 1 4.22 0.005 . 1 . . . . 59 VAL HA . 7104 1 399 . 1 1 59 59 VAL HB H 1 1.84 0.005 . 1 . . . . 59 VAL HB . 7104 1 400 . 1 1 59 59 VAL HG11 H 1 0.83 0.005 . 2 . . . . 59 VAL HG1 . 7104 1 401 . 1 1 59 59 VAL HG12 H 1 0.83 0.005 . 2 . . . . 59 VAL HG1 . 7104 1 402 . 1 1 59 59 VAL HG13 H 1 0.83 0.005 . 2 . . . . 59 VAL HG1 . 7104 1 403 . 1 1 59 59 VAL HG21 H 1 0.69 0.005 . 2 . . . . 59 VAL HG2 . 7104 1 404 . 1 1 59 59 VAL HG22 H 1 0.69 0.005 . 2 . . . . 59 VAL HG2 . 7104 1 405 . 1 1 59 59 VAL HG23 H 1 0.69 0.005 . 2 . . . . 59 VAL HG2 . 7104 1 406 . 1 1 59 59 VAL N N 15 112.29 0.01 . 1 . . . . 59 VAL N . 7104 1 407 . 1 1 60 60 MET H H 1 8.73 0.005 . 1 . . . . 60 MET H . 7104 1 408 . 1 1 60 60 MET HA H 1 5.26 0.005 . 1 . . . . 60 MET HA . 7104 1 409 . 1 1 60 60 MET HB2 H 1 1.93 0.005 . 2 . . . . 60 MET HB2 . 7104 1 410 . 1 1 60 60 MET HB3 H 1 2.35 0.005 . 2 . . . . 60 MET HB3 . 7104 1 411 . 1 1 60 60 MET HG2 H 1 2.61 0.005 . 2 . . . . 60 MET HG2 . 7104 1 412 . 1 1 60 60 MET HE1 H 1 1.90 0.005 . 1 . . . . 60 MET HE . 7104 1 413 . 1 1 60 60 MET HE2 H 1 1.90 0.005 . 1 . . . . 60 MET HE . 7104 1 414 . 1 1 60 60 MET HE3 H 1 1.90 0.005 . 1 . . . . 60 MET HE . 7104 1 415 . 1 1 60 60 MET N N 15 122.64 0.01 . 1 . . . . 60 MET N . 7104 1 416 . 1 1 61 61 LEU H H 1 8.62 0.005 . 1 . . . . 61 LEU H . 7104 1 417 . 1 1 61 61 LEU HA H 1 4.49 0.005 . 1 . . . . 61 LEU HA . 7104 1 418 . 1 1 61 61 LEU HB2 H 1 1.52 0.005 . 2 . . . . 61 LEU HB2 . 7104 1 419 . 1 1 61 61 LEU HG H 1 1.09 0.005 . 1 . . . . 61 LEU HG . 7104 1 420 . 1 1 61 61 LEU HD11 H 1 0.14 0.005 . 2 . . . . 61 LEU HD1 . 7104 1 421 . 1 1 61 61 LEU HD12 H 1 0.14 0.005 . 2 . . . . 61 LEU HD1 . 7104 1 422 . 1 1 61 61 LEU HD13 H 1 0.14 0.005 . 2 . . . . 61 LEU HD1 . 7104 1 423 . 1 1 61 61 LEU HD21 H 1 0.07 0.005 . 2 . . . . 61 LEU HD2 . 7104 1 424 . 1 1 61 61 LEU HD22 H 1 0.07 0.005 . 2 . . . . 61 LEU HD2 . 7104 1 425 . 1 1 61 61 LEU HD23 H 1 0.07 0.005 . 2 . . . . 61 LEU HD2 . 7104 1 426 . 1 1 61 61 LEU N N 15 121.66 0.01 . 1 . . . . 61 LEU N . 7104 1 427 . 1 1 62 62 LYS H H 1 8.19 0.005 . 1 . . . . 62 LYS H . 7104 1 428 . 1 1 62 62 LYS HA H 1 4.53 0.005 . 1 . . . . 62 LYS HA . 7104 1 429 . 1 1 62 62 LYS HB2 H 1 1.66 0.005 . 2 . . . . 62 LYS HB2 . 7104 1 430 . 1 1 62 62 LYS HB3 H 1 1.59 0.005 . 2 . . . . 62 LYS HB3 . 7104 1 431 . 1 1 62 62 LYS HG2 H 1 1.73 0.005 . 4 . . . . 62 LYS HG2 . 7104 1 432 . 1 1 62 62 LYS HD2 H 1 1.23 0.005 . 2 . . . . 62 LYS HD2 . 7104 1 433 . 1 1 62 62 LYS HD3 H 1 1.26 0.005 . 2 . . . . 62 LYS HD3 . 7104 1 434 . 1 1 62 62 LYS HE3 H 1 2.89 0.005 . 2 . . . . 62 LYS HE3 . 7104 1 435 . 1 1 62 62 LYS N N 15 115.51 0.01 . 1 . . . . 62 LYS N . 7104 1 436 . 1 1 63 63 SER H H 1 8.71 0.005 . 1 . . . . 63 SER H . 7104 1 437 . 1 1 63 63 SER HA H 1 3.71 0.005 . 1 . . . . 63 SER HA . 7104 1 438 . 1 1 63 63 SER HB2 H 1 4.04 0.005 . 2 . . . . 63 SER HB2 . 7104 1 439 . 1 1 63 63 SER HB3 H 1 3.79 0.005 . 2 . . . . 63 SER HB3 . 7104 1 440 . 1 1 63 63 SER N N 15 107.81 0.01 . 1 . . . . 63 SER N . 7104 1 441 . 1 1 64 64 LEU H H 1 7.77 0.005 . 1 . . . . 64 LEU H . 7104 1 442 . 1 1 64 64 LEU HA H 1 4.12 0.005 . 1 . . . . 64 LEU HA . 7104 1 443 . 1 1 64 64 LEU HB2 H 1 1.04 0.005 . 2 . . . . 64 LEU HB2 . 7104 1 444 . 1 1 64 64 LEU HB3 H 1 1.22 0.005 . 4 . . . . 64 LEU HB3 . 7104 1 445 . 1 1 64 64 LEU N N 15 113.22 0.01 . 1 . . . . 64 LEU N . 7104 1 446 . 1 1 65 65 ASP H H 1 8.46 0.005 . 1 . . . . 65 ASP H . 7104 1 447 . 1 1 65 65 ASP HA H 1 4.44 0.005 . 1 . . . . 65 ASP HA . 7104 1 448 . 1 1 65 65 ASP HB2 H 1 2.65 0.005 . 2 . . . . 65 ASP HB2 . 7104 1 449 . 1 1 65 65 ASP HB3 H 1 2.47 0.005 . 2 . . . . 65 ASP HB3 . 7104 1 450 . 1 1 65 65 ASP N N 15 116.01 0.01 . 1 . . . . 65 ASP N . 7104 1 451 . 1 1 66 66 TRP H H 1 8.25 0.005 . 1 . . . . 66 TRP H . 7104 1 452 . 1 1 66 66 TRP HA H 1 4.39 0.005 . 1 . . . . 66 TRP HA . 7104 1 453 . 1 1 66 66 TRP HB2 H 1 3.43 0.005 . 2 . . . . 66 TRP HB2 . 7104 1 454 . 1 1 66 66 TRP HB3 H 1 2.96 0.005 . 2 . . . . 66 TRP HB3 . 7104 1 455 . 1 1 66 66 TRP HD1 H 1 7.28 0.005 . 1 . . . . 66 TRP HD1 . 7104 1 456 . 1 1 66 66 TRP HE1 H 1 9.97 0.005 . 1 . . . . 66 TRP HE1 . 7104 1 457 . 1 1 66 66 TRP HE3 H 1 7.78 0.005 . 1 . . . . 66 TRP HE3 . 7104 1 458 . 1 1 66 66 TRP HZ2 H 1 7.33 0.005 . 1 . . . . 66 TRP HZ2 . 7104 1 459 . 1 1 66 66 TRP HZ3 H 1 6.97 0.005 . 1 . . . . 66 TRP HZ3 . 7104 1 460 . 1 1 66 66 TRP HH2 H 1 7.26 0.005 . 1 . . . . 66 TRP HH2 . 7104 1 461 . 1 1 66 66 TRP N N 15 117.25 0.01 . 1 . . . . 66 TRP N . 7104 1 462 . 1 1 66 66 TRP NE1 N 15 124.09 0.01 . 1 . . . . 66 TRP NE1 . 7104 1 463 . 1 1 67 67 ASN H H 1 8.40 0.005 . 1 . . . . 67 ASN H . 7104 1 464 . 1 1 67 67 ASN HA H 1 4.18 0.005 . 1 . . . . 67 ASN HA . 7104 1 465 . 1 1 67 67 ASN HB2 H 1 2.40 0.005 . 2 . . . . 67 ASN HB2 . 7104 1 466 . 1 1 67 67 ASN HB3 H 1 3.25 0.005 . 2 . . . . 67 ASN HB3 . 7104 1 467 . 1 1 67 67 ASN HD21 H 1 7.63 0.005 . 2 . . . . 67 ASN HD21 . 7104 1 468 . 1 1 67 67 ASN HD22 H 1 6.87 0.005 . 2 . . . . 67 ASN HD22 . 7104 1 469 . 1 1 67 67 ASN N N 15 116.59 0.01 . 1 . . . . 67 ASN N . 7104 1 470 . 1 1 67 67 ASN ND2 N 15 107.14 0.01 . 1 . . . . 67 ASN ND2 . 7104 1 471 . 1 1 68 68 ALA H H 1 8.13 0.005 . 1 . . . . 68 ALA H . 7104 1 472 . 1 1 68 68 ALA HA H 1 4.67 0.005 . 1 . . . . 68 ALA HA . 7104 1 473 . 1 1 68 68 ALA HB1 H 1 1.03 0.005 . 1 . . . . 68 ALA HB . 7104 1 474 . 1 1 68 68 ALA HB2 H 1 1.03 0.005 . 1 . . . . 68 ALA HB . 7104 1 475 . 1 1 68 68 ALA HB3 H 1 1.03 0.005 . 1 . . . . 68 ALA HB . 7104 1 476 . 1 1 68 68 ALA N N 15 115.85 0.01 . 1 . . . . 68 ALA N . 7104 1 477 . 1 1 69 69 GLU H H 1 7.99 0.005 . 1 . . . . 69 GLU H . 7104 1 478 . 1 1 69 69 GLU HA H 1 4.69 0.005 . 1 . . . . 69 GLU HA . 7104 1 479 . 1 1 69 69 GLU HB2 H 1 1.80 0.005 . 2 . . . . 69 GLU HB2 . 7104 1 480 . 1 1 69 69 GLU HB3 H 1 1.65 0.005 . 2 . . . . 69 GLU HB3 . 7104 1 481 . 1 1 69 69 GLU HG2 H 1 2.08 0.005 . 2 . . . . 69 GLU HG2 . 7104 1 482 . 1 1 69 69 GLU HG3 H 1 1.93 0.005 . 2 . . . . 69 GLU HG3 . 7104 1 483 . 1 1 69 69 GLU N N 15 115.79 0.01 . 1 . . . . 69 GLU N . 7104 1 484 . 1 1 70 70 TYR H H 1 8.85 0.005 . 1 . . . . 70 TYR H . 7104 1 485 . 1 1 70 70 TYR HA H 1 4.85 0.005 . 1 . . . . 70 TYR HA . 7104 1 486 . 1 1 70 70 TYR HB2 H 1 1.03 0.005 . 2 . . . . 70 TYR HB2 . 7104 1 487 . 1 1 70 70 TYR HD2 H 1 6.68 0.005 . 3 . . . . 70 TYR HD2 . 7104 1 488 . 1 1 70 70 TYR N N 15 119.62 0.01 . 1 . . . . 70 TYR N . 7104 1 489 . 1 1 71 71 GLU H H 1 8.80 0.005 . 1 . . . . 71 GLU H . 7104 1 490 . 1 1 71 71 GLU HA H 1 5.37 0.005 . 1 . . . . 71 GLU HA . 7104 1 491 . 1 1 71 71 GLU HB2 H 1 1.91 0.005 . 2 . . . . 71 GLU HB2 . 7104 1 492 . 1 1 71 71 GLU HB3 H 1 1.88 0.005 . 2 . . . . 71 GLU HB3 . 7104 1 493 . 1 1 71 71 GLU HG2 H 1 2.14 0.005 . 2 . . . . 71 GLU HG2 . 7104 1 494 . 1 1 71 71 GLU HG3 H 1 2.26 0.005 . 2 . . . . 71 GLU HG3 . 7104 1 495 . 1 1 71 71 GLU N N 15 109.10 0.01 . 1 . . . . 71 GLU N . 7104 1 496 . 1 1 72 72 VAL H H 1 9.01 0.005 . 1 . . . . 72 VAL H . 7104 1 497 . 1 1 72 72 VAL HA H 1 5.16 0.005 . 1 . . . . 72 VAL HA . 7104 1 498 . 1 1 72 72 VAL HB H 1 2.05 0.005 . 1 . . . . 72 VAL HB . 7104 1 499 . 1 1 72 72 VAL HG11 H 1 0.92 0.005 . 1 . . . . 72 VAL HG1 . 7104 1 500 . 1 1 72 72 VAL HG12 H 1 0.92 0.005 . 1 . . . . 72 VAL HG1 . 7104 1 501 . 1 1 72 72 VAL HG13 H 1 0.92 0.005 . 1 . . . . 72 VAL HG1 . 7104 1 502 . 1 1 72 72 VAL HG21 H 1 1.02 0.005 . 1 . . . . 72 VAL HG2 . 7104 1 503 . 1 1 72 72 VAL HG22 H 1 1.02 0.005 . 1 . . . . 72 VAL HG2 . 7104 1 504 . 1 1 72 72 VAL HG23 H 1 1.02 0.005 . 1 . . . . 72 VAL HG2 . 7104 1 505 . 1 1 72 72 VAL N N 15 116.36 0.01 . 1 . . . . 72 VAL N . 7104 1 506 . 1 1 73 73 TYR H H 1 9.62 0.005 . 1 . . . . 73 TYR H . 7104 1 507 . 1 1 73 73 TYR HA H 1 5.89 0.005 . 1 . . . . 73 TYR HA . 7104 1 508 . 1 1 73 73 TYR HB2 H 1 2.77 0.005 . 2 . . . . 73 TYR HB2 . 7104 1 509 . 1 1 73 73 TYR HD1 H 1 7.02 0.005 . 3 . . . . 73 TYR HD1 . 7104 1 510 . 1 1 73 73 TYR HE1 H 1 6.62 0.005 . 3 . . . . 73 TYR HE1 . 7104 1 511 . 1 1 73 73 TYR N N 15 120.88 0.01 . 1 . . . . 73 TYR N . 7104 1 512 . 1 1 74 74 VAL H H 1 9.03 0.005 . 1 . . . . 74 VAL H . 7104 1 513 . 1 1 74 74 VAL HA H 1 5.27 0.005 . 1 . . . . 74 VAL HA . 7104 1 514 . 1 1 74 74 VAL HB H 1 1.82 0.005 . 1 . . . . 74 VAL HB . 7104 1 515 . 1 1 74 74 VAL HG11 H 1 0.80 0.005 . 1 . . . . 74 VAL HG1 . 7104 1 516 . 1 1 74 74 VAL HG12 H 1 0.80 0.005 . 1 . . . . 74 VAL HG1 . 7104 1 517 . 1 1 74 74 VAL HG13 H 1 0.80 0.005 . 1 . . . . 74 VAL HG1 . 7104 1 518 . 1 1 74 74 VAL HG21 H 1 0.84 0.005 . 1 . . . . 74 VAL HG2 . 7104 1 519 . 1 1 74 74 VAL HG22 H 1 0.84 0.005 . 1 . . . . 74 VAL HG2 . 7104 1 520 . 1 1 74 74 VAL HG23 H 1 0.84 0.005 . 1 . . . . 74 VAL HG2 . 7104 1 521 . 1 1 74 74 VAL N N 15 116.87 0.01 . 1 . . . . 74 VAL N . 7104 1 522 . 1 1 75 75 VAL H H 1 8.97 0.005 . 1 . . . . 75 VAL H . 7104 1 523 . 1 1 75 75 VAL HA H 1 4.22 0.005 . 1 . . . . 75 VAL HA . 7104 1 524 . 1 1 75 75 VAL HB H 1 1.99 0.005 . 1 . . . . 75 VAL HB . 7104 1 525 . 1 1 75 75 VAL HG11 H 1 0.97 0.005 . 1 . . . . 75 VAL HG1 . 7104 1 526 . 1 1 75 75 VAL HG12 H 1 0.97 0.005 . 1 . . . . 75 VAL HG1 . 7104 1 527 . 1 1 75 75 VAL HG13 H 1 0.97 0.005 . 1 . . . . 75 VAL HG1 . 7104 1 528 . 1 1 75 75 VAL HG21 H 1 0.89 0.005 . 1 . . . . 75 VAL HG2 . 7104 1 529 . 1 1 75 75 VAL HG22 H 1 0.89 0.005 . 1 . . . . 75 VAL HG2 . 7104 1 530 . 1 1 75 75 VAL HG23 H 1 0.89 0.005 . 1 . . . . 75 VAL HG2 . 7104 1 531 . 1 1 75 75 VAL N N 15 121.83 0.01 . 1 . . . . 75 VAL N . 7104 1 532 . 1 1 76 76 ALA H H 1 8.84 0.005 . 1 . . . . 76 ALA H . 7104 1 533 . 1 1 76 76 ALA HA H 1 4.70 0.005 . 1 . . . . 76 ALA HA . 7104 1 534 . 1 1 76 76 ALA HB1 H 1 1.29 0.005 . 1 . . . . 76 ALA HB . 7104 1 535 . 1 1 76 76 ALA HB2 H 1 1.29 0.005 . 1 . . . . 76 ALA HB . 7104 1 536 . 1 1 76 76 ALA HB3 H 1 1.29 0.005 . 1 . . . . 76 ALA HB . 7104 1 537 . 1 1 76 76 ALA N N 15 123.66 0.01 . 1 . . . . 76 ALA N . 7104 1 538 . 1 1 77 77 GLU H H 1 8.12 0.005 . 1 . . . . 77 GLU H . 7104 1 539 . 1 1 77 77 GLU HA H 1 5.11 0.005 . 1 . . . . 77 GLU HA . 7104 1 540 . 1 1 77 77 GLU HB2 H 1 1.65 0.005 . 2 . . . . 77 GLU HB2 . 7104 1 541 . 1 1 77 77 GLU HB3 H 1 1.60 0.005 . 2 . . . . 77 GLU HB3 . 7104 1 542 . 1 1 77 77 GLU HG2 H 1 2.08 0.005 . 2 . . . . 77 GLU HG2 . 7104 1 543 . 1 1 77 77 GLU N N 15 116.69 0.01 . 1 . . . . 77 GLU N . 7104 1 544 . 1 1 78 78 ASN H H 1 8.86 0.005 . 1 . . . . 78 ASN H . 7104 1 545 . 1 1 78 78 ASN HA H 1 4.66 0.005 . 1 . . . . 78 ASN HA . 7104 1 546 . 1 1 78 78 ASN HB2 H 1 3.27 0.005 . 2 . . . . 78 ASN HB2 . 7104 1 547 . 1 1 78 78 ASN HB3 H 1 2.52 0.005 . 2 . . . . 78 ASN HB3 . 7104 1 548 . 1 1 78 78 ASN HD21 H 1 7.72 0.005 . 2 . . . . 78 ASN HD21 . 7104 1 549 . 1 1 78 78 ASN HD22 H 1 7.31 0.005 . 2 . . . . 78 ASN HD22 . 7104 1 550 . 1 1 78 78 ASN N N 15 120.84 0.01 . 1 . . . . 78 ASN N . 7104 1 551 . 1 1 78 78 ASN ND2 N 15 109.46 0.01 . 1 . . . . 78 ASN ND2 . 7104 1 552 . 1 1 79 79 GLN HA H 1 3.96 0.005 . 1 . . . . 79 GLN HA . 7104 1 553 . 1 1 79 79 GLN HB2 H 1 2.00 0.005 . 2 . . . . 79 GLN HB2 . 7104 1 554 . 1 1 79 79 GLN HB3 H 1 1.95 0.005 . 2 . . . . 79 GLN HB3 . 7104 1 555 . 1 1 79 79 GLN HG2 H 1 2.35 0.005 . 2 . . . . 79 GLN HG2 . 7104 1 556 . 1 1 80 80 GLN H H 1 7.80 0.005 . 1 . . . . 80 GLN H . 7104 1 557 . 1 1 80 80 GLN HA H 1 4.23 0.005 . 1 . . . . 80 GLN HA . 7104 1 558 . 1 1 80 80 GLN HB2 H 1 1.93 0.005 . 2 . . . . 80 GLN HB2 . 7104 1 559 . 1 1 80 80 GLN HB3 H 1 2.02 0.005 . 2 . . . . 80 GLN HB3 . 7104 1 560 . 1 1 80 80 GLN HG2 H 1 2.24 0.005 . 2 . . . . 80 GLN HG2 . 7104 1 561 . 1 1 80 80 GLN HG3 H 1 2.18 0.005 . 2 . . . . 80 GLN HG3 . 7104 1 562 . 1 1 80 80 GLN HE21 H 1 6.81 0.005 . 2 . . . . 80 GLN HE21 . 7104 1 563 . 1 1 80 80 GLN HE22 H 1 7.49 0.005 . 2 . . . . 80 GLN HE22 . 7104 1 564 . 1 1 80 80 GLN N N 15 110.78 0.01 . 1 . . . . 80 GLN N . 7104 1 565 . 1 1 80 80 GLN NE2 N 15 107.71 0.01 . 1 . . . . 80 GLN NE2 . 7104 1 566 . 1 1 81 81 GLY H H 1 7.85 0.005 . 1 . . . . 81 GLY H . 7104 1 567 . 1 1 81 81 GLY HA2 H 1 4.28 0.005 . 2 . . . . 81 GLY HA2 . 7104 1 568 . 1 1 81 81 GLY HA3 H 1 3.97 0.005 . 2 . . . . 81 GLY HA3 . 7104 1 569 . 1 1 81 81 GLY N N 15 102.57 0.01 . 1 . . . . 81 GLY N . 7104 1 570 . 1 1 82 82 LYS H H 1 8.29 0.005 . 1 . . . . 82 LYS H . 7104 1 571 . 1 1 82 82 LYS HA H 1 4.97 0.005 . 1 . . . . 82 LYS HA . 7104 1 572 . 1 1 82 82 LYS HB2 H 1 1.59 0.005 . 2 . . . . 82 LYS HB2 . 7104 1 573 . 1 1 82 82 LYS HG2 H 1 1.16 0.005 . 2 . . . . 82 LYS HG2 . 7104 1 574 . 1 1 82 82 LYS HD2 H 1 1.47 0.005 . 4 . . . . 82 LYS HD2 . 7104 1 575 . 1 1 82 82 LYS HD3 H 1 1.85 0.005 . 4 . . . . 82 LYS HD3 . 7104 1 576 . 1 1 82 82 LYS HE2 H 1 2.86 0.005 . 2 . . . . 82 LYS HE2 . 7104 1 577 . 1 1 82 82 LYS N N 15 113.39 0.01 . 1 . . . . 82 LYS N . 7104 1 578 . 1 1 83 83 SER H H 1 9.08 0.005 . 1 . . . . 83 SER H . 7104 1 579 . 1 1 83 83 SER HA H 1 4.40 0.005 . 1 . . . . 83 SER HA . 7104 1 580 . 1 1 83 83 SER HB2 H 1 4.22 0.005 . 2 . . . . 83 SER HB2 . 7104 1 581 . 1 1 83 83 SER HB3 H 1 3.58 0.005 . 2 . . . . 83 SER HB3 . 7104 1 582 . 1 1 83 83 SER N N 15 114.18 0.01 . 1 . . . . 83 SER N . 7104 1 583 . 1 1 84 84 LYS H H 1 8.35 0.005 . 1 . . . . 84 LYS H . 7104 1 584 . 1 1 84 84 LYS HA H 1 4.26 0.005 . 1 . . . . 84 LYS HA . 7104 1 585 . 1 1 84 84 LYS HB2 H 1 1.86 0.005 . 2 . . . . 84 LYS HB2 . 7104 1 586 . 1 1 84 84 LYS HG2 H 1 1.57 0.005 . 2 . . . . 84 LYS HG2 . 7104 1 587 . 1 1 84 84 LYS HD2 H 1 1.75 0.005 . 2 . . . . 84 LYS HD2 . 7104 1 588 . 1 1 84 84 LYS HE2 H 1 3.04 0.005 . 2 . . . . 84 LYS HE2 . 7104 1 589 . 1 1 84 84 LYS N N 15 114.00 0.01 . 1 . . . . 84 LYS N . 7104 1 590 . 1 1 85 85 ALA H H 1 8.61 0.005 . 1 . . . . 85 ALA H . 7104 1 591 . 1 1 85 85 ALA HA H 1 4.52 0.005 . 1 . . . . 85 ALA HA . 7104 1 592 . 1 1 85 85 ALA HB1 H 1 1.18 0.005 . 1 . . . . 85 ALA HB . 7104 1 593 . 1 1 85 85 ALA HB2 H 1 1.18 0.005 . 1 . . . . 85 ALA HB . 7104 1 594 . 1 1 85 85 ALA HB3 H 1 1.18 0.005 . 1 . . . . 85 ALA HB . 7104 1 595 . 1 1 85 85 ALA N N 15 121.40 0.01 . 1 . . . . 85 ALA N . 7104 1 596 . 1 1 86 86 ALA H H 1 9.15 0.005 . 1 . . . . 86 ALA H . 7104 1 597 . 1 1 86 86 ALA HA H 1 4.65 0.005 . 1 . . . . 86 ALA HA . 7104 1 598 . 1 1 86 86 ALA HB1 H 1 1.48 0.005 . 1 . . . . 86 ALA HB . 7104 1 599 . 1 1 86 86 ALA HB2 H 1 1.48 0.005 . 1 . . . . 86 ALA HB . 7104 1 600 . 1 1 86 86 ALA HB3 H 1 1.48 0.005 . 1 . . . . 86 ALA HB . 7104 1 601 . 1 1 86 86 ALA N N 15 123.06 0.01 . 1 . . . . 86 ALA N . 7104 1 602 . 1 1 87 87 HIS H H 1 8.63 0.005 . 1 . . . . 87 HIS H . 7104 1 603 . 1 1 87 87 HIS HA H 1 5.64 0.005 . 1 . . . . 87 HIS HA . 7104 1 604 . 1 1 87 87 HIS HB2 H 1 2.85 0.005 . 2 . . . . 87 HIS HB2 . 7104 1 605 . 1 1 87 87 HIS HB3 H 1 3.02 0.005 . 2 . . . . 87 HIS HB3 . 7104 1 606 . 1 1 87 87 HIS HD2 H 1 6.03 0.005 . 1 . . . . 87 HIS HD2 . 7104 1 607 . 1 1 87 87 HIS HE1 H 1 7.75 0.005 . 1 . . . . 87 HIS HE1 . 7104 1 608 . 1 1 87 87 HIS N N 15 117.17 0.01 . 1 . . . . 87 HIS N . 7104 1 609 . 1 1 88 88 PHE H H 1 8.76 0.005 . 1 . . . . 88 PHE H . 7104 1 610 . 1 1 88 88 PHE HA H 1 4.73 0.005 . 1 . . . . 88 PHE HA . 7104 1 611 . 1 1 88 88 PHE HB2 H 1 3.03 0.005 . 2 . . . . 88 PHE HB2 . 7104 1 612 . 1 1 88 88 PHE HB3 H 1 2.59 0.005 . 2 . . . . 88 PHE HB3 . 7104 1 613 . 1 1 88 88 PHE HD1 H 1 7.02 0.005 . 3 . . . . 88 PHE HD1 . 7104 1 614 . 1 1 88 88 PHE HE1 H 1 7.09 0.005 . 3 . . . . 88 PHE HE1 . 7104 1 615 . 1 1 88 88 PHE N N 15 122.86 0.01 . 1 . . . . 88 PHE N . 7104 1 616 . 1 1 89 89 VAL H H 1 7.51 0.005 . 1 . . . . 89 VAL H . 7104 1 617 . 1 1 89 89 VAL HA H 1 4.98 0.005 . 1 . . . . 89 VAL HA . 7104 1 618 . 1 1 89 89 VAL HB H 1 1.79 0.005 . 1 . . . . 89 VAL HB . 7104 1 619 . 1 1 89 89 VAL HG11 H 1 0.75 0.005 . 1 . . . . 89 VAL HG1 . 7104 1 620 . 1 1 89 89 VAL HG12 H 1 0.75 0.005 . 1 . . . . 89 VAL HG1 . 7104 1 621 . 1 1 89 89 VAL HG13 H 1 0.75 0.005 . 1 . . . . 89 VAL HG1 . 7104 1 622 . 1 1 89 89 VAL HG21 H 1 0.65 0.005 . 1 . . . . 89 VAL HG2 . 7104 1 623 . 1 1 89 89 VAL HG22 H 1 0.65 0.005 . 1 . . . . 89 VAL HG2 . 7104 1 624 . 1 1 89 89 VAL HG23 H 1 0.65 0.005 . 1 . . . . 89 VAL HG2 . 7104 1 625 . 1 1 89 89 VAL N N 15 119.67 0.01 . 1 . . . . 89 VAL N . 7104 1 626 . 1 1 90 90 PHE H H 1 8.34 0.005 . 1 . . . . 90 PHE H . 7104 1 627 . 1 1 90 90 PHE HB2 H 1 2.97 0.005 . 2 . . . . 90 PHE HB2 . 7104 1 628 . 1 1 90 90 PHE HB3 H 1 2.81 0.005 . 2 . . . . 90 PHE HB3 . 7104 1 629 . 1 1 90 90 PHE HD1 H 1 6.76 0.005 . 3 . . . . 90 PHE HD1 . 7104 1 630 . 1 1 90 90 PHE HE1 H 1 6.63 0.005 . 3 . . . . 90 PHE HE1 . 7104 1 631 . 1 1 90 90 PHE HZ H 1 6.34 0.005 . 1 . . . . 90 PHE HZ . 7104 1 632 . 1 1 90 90 PHE N N 15 115.82 0.01 . 1 . . . . 90 PHE N . 7104 1 633 . 1 1 91 91 ARG H H 1 8.40 0.005 . 1 . . . . 91 ARG H . 7104 1 634 . 1 1 91 91 ARG HA H 1 5.47 0.005 . 1 . . . . 91 ARG HA . 7104 1 635 . 1 1 91 91 ARG HB2 H 1 1.74 0.005 . 2 . . . . 91 ARG HB2 . 7104 1 636 . 1 1 91 91 ARG HB3 H 1 1.63 0.005 . 2 . . . . 91 ARG HB3 . 7104 1 637 . 1 1 91 91 ARG HG2 H 1 1.32 0.005 . 2 . . . . 91 ARG HG2 . 7104 1 638 . 1 1 91 91 ARG HD2 H 1 3.11 0.005 . 2 . . . . 91 ARG HD2 . 7104 1 639 . 1 1 91 91 ARG HE H 1 7.14 0.005 . 1 . . . . 91 ARG HE . 7104 1 640 . 1 1 91 91 ARG N N 15 115.26 0.01 . 1 . . . . 91 ARG N . 7104 1 641 . 1 1 92 92 THR H H 1 9.08 0.005 . 1 . . . . 92 THR H . 7104 1 642 . 1 1 92 92 THR HA H 1 4.59 0.005 . 1 . . . . 92 THR HA . 7104 1 643 . 1 1 92 92 THR HB H 1 4.78 0.005 . 1 . . . . 92 THR HB . 7104 1 644 . 1 1 92 92 THR HG21 H 1 1.26 0.005 . 1 . . . . 92 THR HG2 . 7104 1 645 . 1 1 92 92 THR HG22 H 1 1.26 0.005 . 1 . . . . 92 THR HG2 . 7104 1 646 . 1 1 92 92 THR HG23 H 1 1.26 0.005 . 1 . . . . 92 THR HG2 . 7104 1 647 . 1 1 92 92 THR N N 15 110.24 0.01 . 1 . . . . 92 THR N . 7104 1 648 . 1 1 93 93 SER H H 1 8.48 0.005 . 1 . . . . 93 SER H . 7104 1 649 . 1 1 93 93 SER HA H 1 4.58 0.005 . 1 . . . . 93 SER HA . 7104 1 650 . 1 1 93 93 SER HB2 H 1 4.16 0.005 . 2 . . . . 93 SER HB2 . 7104 1 651 . 1 1 93 93 SER HB3 H 1 4.11 0.005 . 2 . . . . 93 SER HB3 . 7104 1 652 . 1 1 93 93 SER N N 15 110.30 0.01 . 1 . . . . 93 SER N . 7104 1 653 . 1 1 94 94 ALA H H 1 8.42 0.005 . 1 . . . . 94 ALA H . 7104 1 654 . 1 1 94 94 ALA HA H 1 4.41 0.005 . 1 . . . . 94 ALA HA . 7104 1 655 . 1 1 94 94 ALA HB1 H 1 1.37 0.005 . 1 . . . . 94 ALA HB . 7104 1 656 . 1 1 94 94 ALA HB2 H 1 1.37 0.005 . 1 . . . . 94 ALA HB . 7104 1 657 . 1 1 94 94 ALA HB3 H 1 1.37 0.005 . 1 . . . . 94 ALA HB . 7104 1 658 . 1 1 94 94 ALA N N 15 119.01 0.01 . 1 . . . . 94 ALA N . 7104 1 659 . 1 1 95 95 GLN H H 1 7.93 0.005 . 1 . . . . 95 GLN H . 7104 1 660 . 1 1 95 95 GLN HA H 1 3.26 0.005 . 1 . . . . 95 GLN HA . 7104 1 661 . 1 1 95 95 GLN HB2 H 1 1.14 0.005 . 2 . . . . 95 GLN HB2 . 7104 1 662 . 1 1 95 95 GLN HB3 H 1 1.47 0.005 . 2 . . . . 95 GLN HB3 . 7104 1 663 . 1 1 95 95 GLN HG2 H 1 1.61 0.005 . 2 . . . . 95 GLN HG2 . 7104 1 664 . 1 1 95 95 GLN HE21 H 1 6.93 0.005 . 2 . . . . 95 GLN HE21 . 7104 1 665 . 1 1 95 95 GLN HE22 H 1 6.46 0.005 . 2 . . . . 95 GLN HE22 . 7104 1 666 . 1 1 95 95 GLN N N 15 119.82 0.01 . 1 . . . . 95 GLN N . 7104 1 667 . 1 1 95 95 GLN NE2 N 15 106.64 0.01 . 1 . . . . 95 GLN NE2 . 7104 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 121 7104 1 1 122 7104 1 1 123 7104 1 2 145 7104 1 3 280 7104 1 3 281 7104 1 3 282 7104 1 4 331 7104 1 4 332 7104 1 5 431 7104 1 6 444 7104 1 7 574 7104 1 7 575 7104 1 stop_ save_