data_6885 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6885 _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' 'Structure analysis' 'Determination of the structure of the Ig1 module of FGFR1' 6885 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6885 _Entry.Title ; Assignment of 1H and 15N chemical shifts for the Ig1 module of FGFR1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-03 _Entry.Accession_date 2005-11-04 _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 Kiselyov Vladislav . V. . 6885 2 Berezin Vladimir . . . 6885 3 Bock Elisabeth . . . 6885 4 Poulsen Flemming . M. . 6885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 105 6885 '1H chemical shifts' 595 6885 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 . . 2007-02-08 2005-11-03 update BMRB 'complete entry citation' 6885 1 . . 2006-11-06 2005-11-03 original author 'original release' 6885 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CKN 'BMRB Entry Tracking System' 6885 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6885 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16609835 _Citation.Full_citation . _Citation.Title '1H and 15N Resonance Assignment of the First Module of FGFR1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 28 _Citation.Page_last 28 _Citation.Year 2006 _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. . 6885 1 2 Vladimir Berezin . . . 6885 1 3 Elisabeth Bock . . . 6885 1 4 Flemming Poulsen . M. . 6885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6885 _Assembly.ID 1 _Assembly.Name 'Ig1 module' _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 'all disulfide bound' _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 'Ig1 module' 1 $Ig1_module . . yes native no no . . . 6885 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . 6885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ig1_module _Entity.Sf_category entity _Entity.Sf_framecode Ig1_module _Entity.Entry_ID 6885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ig1 module of FGFR1' _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 ; EARPAPTLPEQAQPWGVPVE VESLLVHPGDLLQLRCRLRD DVQSINWLRDGVQLVESNRT RITGEEVEVRDSIPADSGLY ACVTSSPSGSDTTYFSVNVS DALPSSE ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-01-28 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 2CKN . "Nmr Structure Of The First Ig Module Of Mouse Fgfr1" . . . . . 88.79 95 100.00 100.00 1.21e-60 . . . . 6885 1 2 no DBJ BAA02059 . "FGF receptor-1 [Rattus norvegicus]" . . . . . 99.07 822 98.11 99.06 3.91e-62 . . . . 6885 1 3 no EMBL CAA36175 . "precursor polypeptide (AA -21 to 799) [Mus musculus]" . . . . . 99.07 820 100.00 100.00 3.17e-63 . . . . 6885 1 4 no EMBL CAA40932 . "FGF receptor-like molecule [Mus musculus]" . . . . . 99.07 360 100.00 100.00 5.65e-66 . . . . 6885 1 5 no GB AAA37290 . "fibroblast growth factor-receptor precursor [Mus musculus]" . . . . . 99.07 822 100.00 100.00 3.61e-63 . . . . 6885 1 6 no GB AAB19327 . "fibroblast growth factor receptor MB2 [mice, Peptide, 361 aa]" . . . . . 99.07 361 100.00 100.00 6.05e-66 . . . . 6885 1 7 no GB AAB19328 . "fibroblast growth factor receptor MB1 [mice, Peptide, 376 aa]" . . . . . 99.07 376 100.00 100.00 8.39e-66 . . . . 6885 1 8 no GB AAC52182 . "fibroblast growth factor receptor-1, long isoform precursor [Mus musculus]" . . . . . 99.07 822 100.00 100.00 3.99e-63 . . . . 6885 1 9 no GB AAH10200 . "Fibroblast growth factor receptor 1 [Mus musculus]" . . . . . 99.07 820 100.00 100.00 3.17e-63 . . . . 6885 1 10 no PRF 1908208A . "fibroblast growth factor receptor 1" . . . . . 99.07 822 98.11 99.06 3.91e-62 . . . . 6885 1 11 no PRF 2103285A . "fibroblast growth factor receptor 1" . . . . . 99.07 822 100.00 100.00 3.99e-63 . . . . 6885 1 12 no REF NP_001073377 . "fibroblast growth factor receptor 1 isoform 2 precursor [Mus musculus]" . . . . . 99.07 820 100.00 100.00 3.17e-63 . . . . 6885 1 13 no REF NP_034336 . "fibroblast growth factor receptor 1 isoform 1 precursor [Mus musculus]" . . . . . 99.07 822 100.00 100.00 3.65e-63 . . . . 6885 1 14 no REF NP_077060 . "fibroblast growth factor receptor 1 precursor [Rattus norvegicus]" . . . . . 99.07 822 98.11 99.06 3.91e-62 . . . . 6885 1 15 no REF XP_001492195 . "PREDICTED: fibroblast growth factor receptor 1 isoformX1 [Equus caballus]" . . . . . 99.07 820 97.17 98.11 5.32e-62 . . . . 6885 1 16 no REF XP_002925298 . "PREDICTED: basic fibroblast growth factor receptor 1-like [Ailuropoda melanoleuca]" . . . . . 99.07 820 97.17 98.11 5.43e-62 . . . . 6885 1 17 no SP P16092 . "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" . . . . . 99.07 822 100.00 100.00 3.65e-63 . . . . 6885 1 18 no SP Q04589 . "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" . . . . . 99.07 822 98.11 99.06 3.91e-62 . . . . 6885 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 9 GLU . 6885 1 2 10 ALA . 6885 1 3 11 ARG . 6885 1 4 12 PRO . 6885 1 5 13 ALA . 6885 1 6 14 PRO . 6885 1 7 15 THR . 6885 1 8 16 LEU . 6885 1 9 17 PRO . 6885 1 10 18 GLU . 6885 1 11 19 GLN . 6885 1 12 20 ALA . 6885 1 13 21 GLN . 6885 1 14 22 PRO . 6885 1 15 23 TRP . 6885 1 16 24 GLY . 6885 1 17 25 VAL . 6885 1 18 26 PRO . 6885 1 19 27 VAL . 6885 1 20 28 GLU . 6885 1 21 29 VAL . 6885 1 22 30 GLU . 6885 1 23 31 SER . 6885 1 24 32 LEU . 6885 1 25 33 LEU . 6885 1 26 34 VAL . 6885 1 27 35 HIS . 6885 1 28 36 PRO . 6885 1 29 37 GLY . 6885 1 30 38 ASP . 6885 1 31 39 LEU . 6885 1 32 40 LEU . 6885 1 33 41 GLN . 6885 1 34 42 LEU . 6885 1 35 43 ARG . 6885 1 36 44 CYS . 6885 1 37 45 ARG . 6885 1 38 46 LEU . 6885 1 39 47 ARG . 6885 1 40 48 ASP . 6885 1 41 49 ASP . 6885 1 42 50 VAL . 6885 1 43 51 GLN . 6885 1 44 52 SER . 6885 1 45 53 ILE . 6885 1 46 54 ASN . 6885 1 47 55 TRP . 6885 1 48 56 LEU . 6885 1 49 57 ARG . 6885 1 50 58 ASP . 6885 1 51 59 GLY . 6885 1 52 60 VAL . 6885 1 53 61 GLN . 6885 1 54 62 LEU . 6885 1 55 63 VAL . 6885 1 56 64 GLU . 6885 1 57 65 SER . 6885 1 58 66 ASN . 6885 1 59 67 ARG . 6885 1 60 68 THR . 6885 1 61 69 ARG . 6885 1 62 70 ILE . 6885 1 63 71 THR . 6885 1 64 72 GLY . 6885 1 65 73 GLU . 6885 1 66 74 GLU . 6885 1 67 75 VAL . 6885 1 68 76 GLU . 6885 1 69 77 VAL . 6885 1 70 78 ARG . 6885 1 71 79 ASP . 6885 1 72 80 SER . 6885 1 73 81 ILE . 6885 1 74 82 PRO . 6885 1 75 83 ALA . 6885 1 76 84 ASP . 6885 1 77 85 SER . 6885 1 78 86 GLY . 6885 1 79 87 LEU . 6885 1 80 88 TYR . 6885 1 81 89 ALA . 6885 1 82 90 CYS . 6885 1 83 91 VAL . 6885 1 84 92 THR . 6885 1 85 93 SER . 6885 1 86 94 SER . 6885 1 87 95 PRO . 6885 1 88 96 SER . 6885 1 89 97 GLY . 6885 1 90 98 SER . 6885 1 91 99 ASP . 6885 1 92 100 THR . 6885 1 93 101 THR . 6885 1 94 102 TYR . 6885 1 95 103 PHE . 6885 1 96 104 SER . 6885 1 97 105 VAL . 6885 1 98 106 ASN . 6885 1 99 107 VAL . 6885 1 100 108 SER . 6885 1 101 109 ASP . 6885 1 102 110 ALA . 6885 1 103 111 LEU . 6885 1 104 112 PRO . 6885 1 105 113 SER . 6885 1 106 114 SER . 6885 1 107 115 GLU . 6885 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 . GLU 1 1 6885 1 . ALA 2 2 6885 1 . ARG 3 3 6885 1 . PRO 4 4 6885 1 . ALA 5 5 6885 1 . PRO 6 6 6885 1 . THR 7 7 6885 1 . LEU 8 8 6885 1 . PRO 9 9 6885 1 . GLU 10 10 6885 1 . GLN 11 11 6885 1 . ALA 12 12 6885 1 . GLN 13 13 6885 1 . PRO 14 14 6885 1 . TRP 15 15 6885 1 . GLY 16 16 6885 1 . VAL 17 17 6885 1 . PRO 18 18 6885 1 . VAL 19 19 6885 1 . GLU 20 20 6885 1 . VAL 21 21 6885 1 . GLU 22 22 6885 1 . SER 23 23 6885 1 . LEU 24 24 6885 1 . LEU 25 25 6885 1 . VAL 26 26 6885 1 . HIS 27 27 6885 1 . PRO 28 28 6885 1 . GLY 29 29 6885 1 . ASP 30 30 6885 1 . LEU 31 31 6885 1 . LEU 32 32 6885 1 . GLN 33 33 6885 1 . LEU 34 34 6885 1 . ARG 35 35 6885 1 . CYS 36 36 6885 1 . ARG 37 37 6885 1 . LEU 38 38 6885 1 . ARG 39 39 6885 1 . ASP 40 40 6885 1 . ASP 41 41 6885 1 . VAL 42 42 6885 1 . GLN 43 43 6885 1 . SER 44 44 6885 1 . ILE 45 45 6885 1 . ASN 46 46 6885 1 . TRP 47 47 6885 1 . LEU 48 48 6885 1 . ARG 49 49 6885 1 . ASP 50 50 6885 1 . GLY 51 51 6885 1 . VAL 52 52 6885 1 . GLN 53 53 6885 1 . LEU 54 54 6885 1 . VAL 55 55 6885 1 . GLU 56 56 6885 1 . SER 57 57 6885 1 . ASN 58 58 6885 1 . ARG 59 59 6885 1 . THR 60 60 6885 1 . ARG 61 61 6885 1 . ILE 62 62 6885 1 . THR 63 63 6885 1 . GLY 64 64 6885 1 . GLU 65 65 6885 1 . GLU 66 66 6885 1 . VAL 67 67 6885 1 . GLU 68 68 6885 1 . VAL 69 69 6885 1 . ARG 70 70 6885 1 . ASP 71 71 6885 1 . SER 72 72 6885 1 . ILE 73 73 6885 1 . PRO 74 74 6885 1 . ALA 75 75 6885 1 . ASP 76 76 6885 1 . SER 77 77 6885 1 . GLY 78 78 6885 1 . LEU 79 79 6885 1 . TYR 80 80 6885 1 . ALA 81 81 6885 1 . CYS 82 82 6885 1 . VAL 83 83 6885 1 . THR 84 84 6885 1 . SER 85 85 6885 1 . SER 86 86 6885 1 . PRO 87 87 6885 1 . SER 88 88 6885 1 . GLY 89 89 6885 1 . SER 90 90 6885 1 . ASP 91 91 6885 1 . THR 92 92 6885 1 . THR 93 93 6885 1 . TYR 94 94 6885 1 . PHE 95 95 6885 1 . SER 96 96 6885 1 . VAL 97 97 6885 1 . ASN 98 98 6885 1 . VAL 99 99 6885 1 . SER 100 100 6885 1 . ASP 101 101 6885 1 . ALA 102 102 6885 1 . LEU 103 103 6885 1 . PRO 104 104 6885 1 . SER 105 105 6885 1 . SER 106 106 6885 1 . GLU 107 107 6885 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 6885 _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 $Ig1_module . 10116 organism no 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6885 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 6885 _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 $Ig1_module . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6885 _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 'Ig1 module of FGFR1' . . . 1 $Ig1_module . . 2 . . mM . . . . 6885 1 2 H2O . . . . . . . . . . . . . . . 6885 1 3 D2O . . . . . . . . . . . . . . . 6885 1 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6885 1 5 NaCl . . . . . . . 150 . . mM . . . . 6885 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6885 _Sample.ID 2 _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 'Ig1 module of FGFR1' [U-15N] . . 1 $Ig1_module . . 2 . . mM . . . . 6885 2 2 H2O . . . . . . . . . . . . . . . 6885 2 3 D2O . . . . . . . . . . . . . . . 6885 2 4 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6885 2 5 NaCl . . . . . . . 150 . . mM . . . . 6885 2 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 6885 _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' 150 1 mM 6885 1 pH 7.4 0.01 pH 6885 1 temperature 298 0.1 K 6885 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 6885 _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_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6885 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 6885 _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 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6885 1 2 NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6885 1 3 15N-TOCSY-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6885 1 4 15N-NOESY-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6885 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 6885 _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 . . . 1 $entry_citation . . 1 $entry_citation 6885 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6885 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 6885 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6885 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 GLU H H 1 8.32 0.005 . 1 . . . . 9 GLU H . 6885 1 2 . 1 1 1 1 GLU HA H 1 4.22 0.005 . 1 . . . . 9 GLU HA . 6885 1 3 . 1 1 1 1 GLU HB2 H 1 1.99 0.005 . 2 . . . . 9 GLU HB2 . 6885 1 4 . 1 1 1 1 GLU HB3 H 1 1.86 0.005 . 2 . . . . 9 GLU HB3 . 6885 1 5 . 1 1 1 1 GLU HG2 H 1 2.18 0.005 . 2 . . . . 9 GLU HG2 . 6885 1 6 . 1 1 1 1 GLU N N 15 122.54 0.02 . 1 . . . . 9 GLU N . 6885 1 7 . 1 1 2 2 ALA H H 1 8.33 0.005 . 1 . . . . 10 ALA H . 6885 1 8 . 1 1 2 2 ALA HA H 1 4.28 0.005 . 1 . . . . 10 ALA HA . 6885 1 9 . 1 1 2 2 ALA HB1 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1 10 . 1 1 2 2 ALA HB2 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1 11 . 1 1 2 2 ALA HB3 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1 12 . 1 1 2 2 ALA N N 15 125.6 0.02 . 1 . . . . 10 ALA N . 6885 1 13 . 1 1 3 3 ARG H H 1 8.26 0.005 . 1 . . . . 11 ARG H . 6885 1 14 . 1 1 3 3 ARG HA H 1 4.59 0.005 . 1 . . . . 11 ARG HA . 6885 1 15 . 1 1 3 3 ARG HB2 H 1 1.68 0.005 . 2 . . . . 11 ARG HB2 . 6885 1 16 . 1 1 3 3 ARG HB3 H 1 1.81 0.005 . 2 . . . . 11 ARG HB3 . 6885 1 17 . 1 1 3 3 ARG HG2 H 1 1.63 0.005 . 2 . . . . 11 ARG HG2 . 6885 1 18 . 1 1 3 3 ARG HD2 H 1 3.16 0.005 . 2 . . . . 11 ARG HD2 . 6885 1 19 . 1 1 3 3 ARG N N 15 121.63 0.02 . 1 . . . . 11 ARG N . 6885 1 20 . 1 1 4 4 PRO HA H 1 4.38 0.005 . 1 . . . . 12 PRO HA . 6885 1 21 . 1 1 4 4 PRO HB2 H 1 1.86 0.005 . 2 . . . . 12 PRO HB2 . 6885 1 22 . 1 1 4 4 PRO HG2 H 1 1.99 0.005 . 2 . . . . 12 PRO HG2 . 6885 1 23 . 1 1 4 4 PRO HD2 H 1 3.75 0.005 . 2 . . . . 12 PRO HD2 . 6885 1 24 . 1 1 5 5 ALA H H 1 8.38 0.005 . 1 . . . . 13 ALA H . 6885 1 25 . 1 1 5 5 ALA HA H 1 4.52 0.005 . 1 . . . . 13 ALA HA . 6885 1 26 . 1 1 5 5 ALA HB1 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1 27 . 1 1 5 5 ALA HB2 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1 28 . 1 1 5 5 ALA HB3 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1 29 . 1 1 5 5 ALA N N 15 125.84 0.02 . 1 . . . . 13 ALA N . 6885 1 30 . 1 1 6 6 PRO HA H 1 4.46 0.005 . 1 . . . . 14 PRO HA . 6885 1 31 . 1 1 6 6 PRO HB2 H 1 2.25 0.005 . 2 . . . . 14 PRO HB2 . 6885 1 32 . 1 1 6 6 PRO HG2 H 1 1.99 0.005 . 2 . . . . 14 PRO HG2 . 6885 1 33 . 1 1 6 6 PRO HG3 H 1 1.88 0.005 . 2 . . . . 14 PRO HG3 . 6885 1 34 . 1 1 6 6 PRO HD2 H 1 3.63 0.005 . 2 . . . . 14 PRO HD2 . 6885 1 35 . 1 1 7 7 THR H H 1 8.19 0.005 . 1 . . . . 15 THR H . 6885 1 36 . 1 1 7 7 THR HA H 1 4.27 0.005 . 1 . . . . 15 THR HA . 6885 1 37 . 1 1 7 7 THR HB H 1 4.13 0.005 . 1 . . . . 15 THR HB . 6885 1 38 . 1 1 7 7 THR HG21 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1 39 . 1 1 7 7 THR HG22 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1 40 . 1 1 7 7 THR HG23 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1 41 . 1 1 7 7 THR N N 15 114.89 0.02 . 1 . . . . 15 THR N . 6885 1 42 . 1 1 8 8 LEU H H 1 8.26 0.005 . 1 . . . . 16 LEU H . 6885 1 43 . 1 1 8 8 LEU HA H 1 4.62 0.005 . 1 . . . . 16 LEU HA . 6885 1 44 . 1 1 8 8 LEU HB2 H 1 1.55 0.005 . 2 . . . . 16 LEU HB2 . 6885 1 45 . 1 1 8 8 LEU HD11 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1 46 . 1 1 8 8 LEU HD12 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1 47 . 1 1 8 8 LEU HD13 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1 48 . 1 1 8 8 LEU N N 15 125.93 0.02 . 1 . . . . 16 LEU N . 6885 1 49 . 1 1 9 9 PRO HA H 1 4.36 0.005 . 1 . . . . 17 PRO HA . 6885 1 50 . 1 1 9 9 PRO HB2 H 1 2.26 0.005 . 2 . . . . 17 PRO HB2 . 6885 1 51 . 1 1 9 9 PRO HB3 H 1 1.88 0.005 . 2 . . . . 17 PRO HB3 . 6885 1 52 . 1 1 9 9 PRO HG2 H 1 1.99 0.005 . 2 . . . . 17 PRO HG2 . 6885 1 53 . 1 1 9 9 PRO HG3 H 1 2.02 0.005 . 2 . . . . 17 PRO HG3 . 6885 1 54 . 1 1 9 9 PRO HD2 H 1 3.8 0.005 . 2 . . . . 17 PRO HD2 . 6885 1 55 . 1 1 9 9 PRO HD3 H 1 3.62 0.005 . 2 . . . . 17 PRO HD3 . 6885 1 56 . 1 1 10 10 GLU H H 1 8.53 0.005 . 1 . . . . 18 GLU H . 6885 1 57 . 1 1 10 10 GLU HA H 1 4.16 0.005 . 1 . . . . 18 GLU HA . 6885 1 58 . 1 1 10 10 GLU HB2 H 1 2 0.005 . 2 . . . . 18 GLU HB2 . 6885 1 59 . 1 1 10 10 GLU HB3 H 1 1.94 0.005 . 2 . . . . 18 GLU HB3 . 6885 1 60 . 1 1 10 10 GLU HG2 H 1 2.27 0.005 . 2 . . . . 18 GLU HG2 . 6885 1 61 . 1 1 10 10 GLU HG3 H 1 2.22 0.005 . 2 . . . . 18 GLU HG3 . 6885 1 62 . 1 1 10 10 GLU N N 15 120.41 0.02 . 1 . . . . 18 GLU N . 6885 1 63 . 1 1 11 11 GLN H H 1 8.27 0.005 . 1 . . . . 19 GLN H . 6885 1 64 . 1 1 11 11 GLN HA H 1 4.28 0.005 . 1 . . . . 19 GLN HA . 6885 1 65 . 1 1 11 11 GLN HB2 H 1 2.08 0.005 . 2 . . . . 19 GLN HB2 . 6885 1 66 . 1 1 11 11 GLN HB3 H 1 1.95 0.005 . 2 . . . . 19 GLN HB3 . 6885 1 67 . 1 1 11 11 GLN HG2 H 1 2.32 0.005 . 2 . . . . 19 GLN HG2 . 6885 1 68 . 1 1 11 11 GLN HE21 H 1 7.52 0.005 . 2 . . . . 19 GLN HE21 . 6885 1 69 . 1 1 11 11 GLN HE22 H 1 6.83 0.005 . 2 . . . . 19 GLN HE22 . 6885 1 70 . 1 1 11 11 GLN N N 15 120.6 0.02 . 1 . . . . 19 GLN N . 6885 1 71 . 1 1 11 11 GLN NE2 N 15 112.41 0.02 . 1 . . . . 19 GLN NE2 . 6885 1 72 . 1 1 12 12 ALA H H 1 8.22 0.005 . 1 . . . . 20 ALA H . 6885 1 73 . 1 1 12 12 ALA HA H 1 4.25 0.005 . 1 . . . . 20 ALA HA . 6885 1 74 . 1 1 12 12 ALA HB1 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1 75 . 1 1 12 12 ALA HB2 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1 76 . 1 1 12 12 ALA HB3 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1 77 . 1 1 12 12 ALA N N 15 125.14 0.02 . 1 . . . . 20 ALA N . 6885 1 78 . 1 1 13 13 GLN H H 1 8.21 0.005 . 1 . . . . 21 GLN H . 6885 1 79 . 1 1 13 13 GLN HA H 1 4.5 0.005 . 1 . . . . 21 GLN HA . 6885 1 80 . 1 1 13 13 GLN HB2 H 1 1.83 0.005 . 2 . . . . 21 GLN HB2 . 6885 1 81 . 1 1 13 13 GLN HB3 H 1 1.74 0.005 . 2 . . . . 21 GLN HB3 . 6885 1 82 . 1 1 13 13 GLN HG2 H 1 2.28 0.005 . 2 . . . . 21 GLN HG2 . 6885 1 83 . 1 1 13 13 GLN HE21 H 1 7.44 0.005 . 2 . . . . 21 GLN HE21 . 6885 1 84 . 1 1 13 13 GLN HE22 H 1 6.81 0.005 . 2 . . . . 21 GLN HE22 . 6885 1 85 . 1 1 13 13 GLN N N 15 120 0.02 . 1 . . . . 21 GLN N . 6885 1 86 . 1 1 13 13 GLN NE2 N 15 112.27 0.02 . 1 . . . . 21 GLN NE2 . 6885 1 87 . 1 1 14 14 PRO HA H 1 4.32 0.005 . 1 . . . . 22 PRO HA . 6885 1 88 . 1 1 14 14 PRO HB2 H 1 2.14 0.005 . 2 . . . . 22 PRO HB2 . 6885 1 89 . 1 1 14 14 PRO HB3 H 1 1.75 0.005 . 2 . . . . 22 PRO HB3 . 6885 1 90 . 1 1 14 14 PRO HG2 H 1 1.85 0.005 . 2 . . . . 22 PRO HG2 . 6885 1 91 . 1 1 14 14 PRO HD2 H 1 3.63 0.005 . 2 . . . . 22 PRO HD2 . 6885 1 92 . 1 1 14 14 PRO HD3 H 1 3.48 0.005 . 2 . . . . 22 PRO HD3 . 6885 1 93 . 1 1 15 15 TRP H H 1 7.97 0.005 . 1 . . . . 23 TRP H . 6885 1 94 . 1 1 15 15 TRP HA H 1 4.63 0.005 . 1 . . . . 23 TRP HA . 6885 1 95 . 1 1 15 15 TRP HB2 H 1 3.25 0.005 . 2 . . . . 23 TRP HB2 . 6885 1 96 . 1 1 15 15 TRP HD1 H 1 7.22 0.005 . 1 . . . . 23 TRP HD1 . 6885 1 97 . 1 1 15 15 TRP HE1 H 1 10.17 0.005 . 1 . . . . 23 TRP HE1 . 6885 1 98 . 1 1 15 15 TRP HE3 H 1 7.6 0.005 . 1 . . . . 23 TRP HE3 . 6885 1 99 . 1 1 15 15 TRP HZ2 H 1 7.45 0.005 . 1 . . . . 23 TRP HZ2 . 6885 1 100 . 1 1 15 15 TRP HZ3 H 1 7.08 0.005 . 1 . . . . 23 TRP HZ3 . 6885 1 101 . 1 1 15 15 TRP HH2 H 1 7.16 0.005 . 1 . . . . 23 TRP HH2 . 6885 1 102 . 1 1 15 15 TRP N N 15 120.15 0.02 . 1 . . . . 23 TRP N . 6885 1 103 . 1 1 15 15 TRP NE1 N 15 129.67 0.02 . 1 . . . . 23 TRP NE1 . 6885 1 104 . 1 1 16 16 GLY H H 1 7.92 0.005 . 1 . . . . 24 GLY H . 6885 1 105 . 1 1 16 16 GLY HA2 H 1 3.76 0.005 . 2 . . . . 24 GLY HA2 . 6885 1 106 . 1 1 16 16 GLY N N 15 110.85 0.02 . 1 . . . . 24 GLY N . 6885 1 107 . 1 1 17 17 VAL H H 1 7.75 0.005 . 1 . . . . 25 VAL H . 6885 1 108 . 1 1 17 17 VAL HA H 1 4.26 0.005 . 1 . . . . 25 VAL HA . 6885 1 109 . 1 1 17 17 VAL HB H 1 1.96 0.005 . 1 . . . . 25 VAL HB . 6885 1 110 . 1 1 17 17 VAL HG11 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1 111 . 1 1 17 17 VAL HG12 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1 112 . 1 1 17 17 VAL HG13 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1 113 . 1 1 17 17 VAL HG21 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1 114 . 1 1 17 17 VAL HG22 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1 115 . 1 1 17 17 VAL HG23 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1 116 . 1 1 17 17 VAL N N 15 120.5 0.02 . 1 . . . . 25 VAL N . 6885 1 117 . 1 1 18 18 PRO HA H 1 4.27 0.005 . 1 . . . . 26 PRO HA . 6885 1 118 . 1 1 19 19 VAL H H 1 8.01 0.005 . 1 . . . . 27 VAL H . 6885 1 119 . 1 1 19 19 VAL HA H 1 4.06 0.005 . 1 . . . . 27 VAL HA . 6885 1 120 . 1 1 19 19 VAL HB H 1 1.99 0.005 . 1 . . . . 27 VAL HB . 6885 1 121 . 1 1 19 19 VAL HG11 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1 122 . 1 1 19 19 VAL HG12 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1 123 . 1 1 19 19 VAL HG13 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1 124 . 1 1 19 19 VAL N N 15 119.83 0.02 . 1 . . . . 27 VAL N . 6885 1 125 . 1 1 20 20 GLU H H 1 8.31 0.005 . 1 . . . . 28 GLU H . 6885 1 126 . 1 1 20 20 GLU HA H 1 4.37 0.005 . 1 . . . . 28 GLU HA . 6885 1 127 . 1 1 20 20 GLU HB2 H 1 2.01 0.005 . 2 . . . . 28 GLU HB2 . 6885 1 128 . 1 1 20 20 GLU HB3 H 1 1.94 0.005 . 2 . . . . 28 GLU HB3 . 6885 1 129 . 1 1 20 20 GLU HG2 H 1 2.24 0.005 . 2 . . . . 28 GLU HG2 . 6885 1 130 . 1 1 20 20 GLU HG3 H 1 2.20 0.005 . 2 . . . . 28 GLU HG3 . 6885 1 131 . 1 1 20 20 GLU N N 15 123.35 0.02 . 1 . . . . 28 GLU N . 6885 1 132 . 1 1 21 21 VAL H H 1 8.16 0.005 . 1 . . . . 29 VAL H . 6885 1 133 . 1 1 21 21 VAL HA H 1 4.26 0.005 . 1 . . . . 29 VAL HA . 6885 1 134 . 1 1 21 21 VAL HB H 1 1.84 0.005 . 1 . . . . 29 VAL HB . 6885 1 135 . 1 1 21 21 VAL HG11 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1 136 . 1 1 21 21 VAL HG12 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1 137 . 1 1 21 21 VAL HG13 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1 138 . 1 1 21 21 VAL N N 15 121.88 0.02 . 1 . . . . 29 VAL N . 6885 1 139 . 1 1 22 22 GLU H H 1 8.2 0.005 . 1 . . . . 30 GLU H . 6885 1 140 . 1 1 22 22 GLU HA H 1 4.5 0.005 . 1 . . . . 30 GLU HA . 6885 1 141 . 1 1 22 22 GLU HB2 H 1 2.13 0.005 . 2 . . . . 30 GLU HB2 . 6885 1 142 . 1 1 22 22 GLU HB3 H 1 2.02 0.005 . 2 . . . . 30 GLU HB3 . 6885 1 143 . 1 1 22 22 GLU HG2 H 1 2.28 0.005 . 2 . . . . 30 GLU HG2 . 6885 1 144 . 1 1 22 22 GLU HG3 H 1 2.23 0.005 . 2 . . . . 30 GLU HG3 . 6885 1 145 . 1 1 22 22 GLU N N 15 127.79 0.02 . 1 . . . . 30 GLU N . 6885 1 146 . 1 1 23 23 SER H H 1 8.86 0.005 . 1 . . . . 31 SER H . 6885 1 147 . 1 1 23 23 SER HA H 1 5.31 0.005 . 1 . . . . 31 SER HA . 6885 1 148 . 1 1 23 23 SER HB2 H 1 3.86 0.005 . 2 . . . . 31 SER HB2 . 6885 1 149 . 1 1 23 23 SER HB3 H 1 3.82 0.005 . 2 . . . . 31 SER HB3 . 6885 1 150 . 1 1 23 23 SER N N 15 121.52 0.02 . 1 . . . . 31 SER N . 6885 1 151 . 1 1 24 24 LEU H H 1 9.04 0.005 . 1 . . . . 32 LEU H . 6885 1 152 . 1 1 24 24 LEU HA H 1 4.79 0.005 . 1 . . . . 32 LEU HA . 6885 1 153 . 1 1 24 24 LEU HB2 H 1 1.63 0.005 . 4 . . . . 32 LEU HB2 . 6885 1 154 . 1 1 24 24 LEU HB3 H 1 1.56 0.005 . 4 . . . . 32 LEU HB3 . 6885 1 155 . 1 1 24 24 LEU HD11 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1 156 . 1 1 24 24 LEU HD12 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1 157 . 1 1 24 24 LEU HD13 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1 158 . 1 1 24 24 LEU N N 15 127.67 0.02 . 1 . . . . 32 LEU N . 6885 1 159 . 1 1 25 25 LEU H H 1 8.51 0.005 . 1 . . . . 33 LEU H . 6885 1 160 . 1 1 25 25 LEU HA H 1 5.28 0.005 . 1 . . . . 33 LEU HA . 6885 1 161 . 1 1 25 25 LEU HB2 H 1 1.69 0.005 . 2 . . . . 33 LEU HB2 . 6885 1 162 . 1 1 25 25 LEU HB3 H 1 1.50 0.005 . 2 . . . . 33 LEU HB3 . 6885 1 163 . 1 1 25 25 LEU HD11 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1 164 . 1 1 25 25 LEU HD12 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1 165 . 1 1 25 25 LEU HD13 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1 166 . 1 1 25 25 LEU N N 15 128.31 0.02 . 1 . . . . 33 LEU N . 6885 1 167 . 1 1 26 26 VAL H H 1 8.69 0.005 . 1 . . . . 34 VAL H . 6885 1 168 . 1 1 26 26 VAL HA H 1 4.32 0.005 . 1 . . . . 34 VAL HA . 6885 1 169 . 1 1 26 26 VAL HB H 1 2.00 0.005 . 1 . . . . 34 VAL HB . 6885 1 170 . 1 1 26 26 VAL HG11 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1 171 . 1 1 26 26 VAL HG12 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1 172 . 1 1 26 26 VAL HG13 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1 173 . 1 1 26 26 VAL HG21 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1 174 . 1 1 26 26 VAL HG22 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1 175 . 1 1 26 26 VAL HG23 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1 176 . 1 1 26 26 VAL N N 15 125.03 0.02 . 1 . . . . 34 VAL N . 6885 1 177 . 1 1 27 27 HIS H H 1 8.79 0.005 . 1 . . . . 35 HIS H . 6885 1 178 . 1 1 27 27 HIS HA H 1 4.97 0.005 . 1 . . . . 35 HIS HA . 6885 1 179 . 1 1 27 27 HIS HB2 H 1 3.13 0.005 . 2 . . . . 35 HIS HB2 . 6885 1 180 . 1 1 27 27 HIS HB3 H 1 3.02 0.005 . 2 . . . . 35 HIS HB3 . 6885 1 181 . 1 1 27 27 HIS HD2 H 1 7.32 0.005 . 1 . . . . 35 HIS HD2 . 6885 1 182 . 1 1 27 27 HIS N N 15 124 0.02 . 1 . . . . 35 HIS N . 6885 1 183 . 1 1 28 28 PRO HA H 1 3.91 0.005 . 1 . . . . 36 PRO HA . 6885 1 184 . 1 1 28 28 PRO HB2 H 1 1.87 0.005 . 2 . . . . 36 PRO HB2 . 6885 1 185 . 1 1 28 28 PRO HB3 H 1 2.12 0.005 . 2 . . . . 36 PRO HB3 . 6885 1 186 . 1 1 28 28 PRO HG2 H 1 1.51 0.005 . 2 . . . . 36 PRO HG2 . 6885 1 187 . 1 1 28 28 PRO HD2 H 1 3.20 0.005 . 2 . . . . 36 PRO HD2 . 6885 1 188 . 1 1 29 29 GLY H H 1 9.66 0.005 . 1 . . . . 37 GLY H . 6885 1 189 . 1 1 29 29 GLY HA2 H 1 4.45 0.005 . 2 . . . . 37 GLY HA2 . 6885 1 190 . 1 1 29 29 GLY HA3 H 1 3.55 0.005 . 2 . . . . 37 GLY HA3 . 6885 1 191 . 1 1 29 29 GLY N N 15 116.72 0.02 . 1 . . . . 37 GLY N . 6885 1 192 . 1 1 30 30 ASP H H 1 8.19 0.005 . 1 . . . . 38 ASP H . 6885 1 193 . 1 1 30 30 ASP HA H 1 4.68 0.005 . 1 . . . . 38 ASP HA . 6885 1 194 . 1 1 30 30 ASP HB2 H 1 3.00 0.005 . 2 . . . . 38 ASP HB2 . 6885 1 195 . 1 1 30 30 ASP HB3 H 1 2.63 0.005 . 2 . . . . 38 ASP HB3 . 6885 1 196 . 1 1 30 30 ASP N N 15 122.2 0.02 . 1 . . . . 38 ASP N . 6885 1 197 . 1 1 31 31 LEU H H 1 8.31 0.005 . 1 . . . . 39 LEU H . 6885 1 198 . 1 1 31 31 LEU HA H 1 4.51 0.005 . 1 . . . . 39 LEU HA . 6885 1 199 . 1 1 31 31 LEU HB2 H 1 1.55 0.005 . 4 . . . . 39 LEU HB2 . 6885 1 200 . 1 1 31 31 LEU N N 15 122.22 0.02 . 1 . . . . 39 LEU N . 6885 1 201 . 1 1 32 32 LEU H H 1 8.85 0.005 . 1 . . . . 40 LEU H . 6885 1 202 . 1 1 32 32 LEU HA H 1 4.42 0.005 . 1 . . . . 40 LEU HA . 6885 1 203 . 1 1 32 32 LEU HB2 H 1 1.68 0.005 . 2 . . . . 40 LEU HB2 . 6885 1 204 . 1 1 32 32 LEU HB3 H 1 1.24 0.005 . 2 . . . . 40 LEU HB3 . 6885 1 205 . 1 1 32 32 LEU HG H 1 1.13 0.005 . 1 . . . . 40 LEU HG . 6885 1 206 . 1 1 32 32 LEU HD11 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1 207 . 1 1 32 32 LEU HD12 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1 208 . 1 1 32 32 LEU HD13 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1 209 . 1 1 32 32 LEU HD21 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1 210 . 1 1 32 32 LEU HD22 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1 211 . 1 1 32 32 LEU HD23 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1 212 . 1 1 32 32 LEU N N 15 129.79 0.02 . 1 . . . . 40 LEU N . 6885 1 213 . 1 1 33 33 GLN H H 1 8.21 0.005 . 1 . . . . 41 GLN H . 6885 1 214 . 1 1 33 33 GLN HA H 1 5.02 0.005 . 1 . . . . 41 GLN HA . 6885 1 215 . 1 1 33 33 GLN HB2 H 1 1.84 0.005 . 2 . . . . 41 GLN HB2 . 6885 1 216 . 1 1 33 33 GLN HB3 H 1 1.74 0.005 . 2 . . . . 41 GLN HB3 . 6885 1 217 . 1 1 33 33 GLN HG2 H 1 2.01 0.005 . 2 . . . . 41 GLN HG2 . 6885 1 218 . 1 1 33 33 GLN HE21 H 1 7.88 0.005 . 2 . . . . 41 GLN HE21 . 6885 1 219 . 1 1 33 33 GLN HE22 H 1 6.69 0.005 . 2 . . . . 41 GLN HE22 . 6885 1 220 . 1 1 33 33 GLN N N 15 124.83 0.02 . 1 . . . . 41 GLN N . 6885 1 221 . 1 1 33 33 GLN NE2 N 15 113.6 0.02 . 1 . . . . 41 GLN NE2 . 6885 1 222 . 1 1 34 34 LEU H H 1 8.46 0.005 . 1 . . . . 42 LEU H . 6885 1 223 . 1 1 34 34 LEU HA H 1 4.26 0.005 . 1 . . . . 42 LEU HA . 6885 1 224 . 1 1 34 34 LEU HB2 H 1 0.96 0.005 . 2 . . . . 42 LEU HB2 . 6885 1 225 . 1 1 34 34 LEU HB3 H 1 0.26 0.005 . 2 . . . . 42 LEU HB3 . 6885 1 226 . 1 1 34 34 LEU HG H 1 0.69 0.005 . 1 . . . . 42 LEU HG . 6885 1 227 . 1 1 34 34 LEU HD11 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1 228 . 1 1 34 34 LEU HD12 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1 229 . 1 1 34 34 LEU HD13 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1 230 . 1 1 34 34 LEU HD21 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1 231 . 1 1 34 34 LEU HD22 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1 232 . 1 1 34 34 LEU HD23 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1 233 . 1 1 34 34 LEU N N 15 123.45 0.02 . 1 . . . . 42 LEU N . 6885 1 234 . 1 1 35 35 ARG H H 1 8.04 0.005 . 1 . . . . 43 ARG H . 6885 1 235 . 1 1 35 35 ARG HA H 1 5.36 0.005 . 1 . . . . 43 ARG HA . 6885 1 236 . 1 1 35 35 ARG HB2 H 1 1.81 0.005 . 2 . . . . 43 ARG HB2 . 6885 1 237 . 1 1 35 35 ARG HB3 H 1 1.70 0.005 . 2 . . . . 43 ARG HB3 . 6885 1 238 . 1 1 35 35 ARG HG2 H 1 1.59 0.005 . 2 . . . . 43 ARG HG2 . 6885 1 239 . 1 1 35 35 ARG HG3 H 1 1.53 0.005 . 2 . . . . 43 ARG HG3 . 6885 1 240 . 1 1 35 35 ARG HD2 H 1 3.17 0.005 . 2 . . . . 43 ARG HD2 . 6885 1 241 . 1 1 35 35 ARG HE H 1 7.38 0.005 . 1 . . . . 43 ARG HE . 6885 1 242 . 1 1 35 35 ARG N N 15 121.11 0.02 . 1 . . . . 43 ARG N . 6885 1 243 . 1 1 36 36 CYS H H 1 9.18 0.005 . 1 . . . . 44 CYS H . 6885 1 244 . 1 1 36 36 CYS HA H 1 4.42 0.005 . 1 . . . . 44 CYS HA . 6885 1 245 . 1 1 36 36 CYS HB2 H 1 3.06 0.005 . 2 . . . . 44 CYS HB2 . 6885 1 246 . 1 1 36 36 CYS N N 15 124.83 0.02 . 1 . . . . 44 CYS N . 6885 1 247 . 1 1 37 37 ARG H H 1 8.03 0.005 . 1 . . . . 45 ARG H . 6885 1 248 . 1 1 37 37 ARG HA H 1 4.25 0.005 . 1 . . . . 45 ARG HA . 6885 1 249 . 1 1 37 37 ARG HB2 H 1 1.75 0.005 . 2 . . . . 45 ARG HB2 . 6885 1 250 . 1 1 37 37 ARG HB3 H 1 1.68 0.005 . 2 . . . . 45 ARG HB3 . 6885 1 251 . 1 1 37 37 ARG HG2 H 1 1.50 0.005 . 2 . . . . 45 ARG HG2 . 6885 1 252 . 1 1 37 37 ARG N N 15 125.12 0.02 . 1 . . . . 45 ARG N . 6885 1 253 . 1 1 38 38 LEU H H 1 8.51 0.005 . 1 . . . . 46 LEU H . 6885 1 254 . 1 1 38 38 LEU HA H 1 4.46 0.005 . 1 . . . . 46 LEU HA . 6885 1 255 . 1 1 38 38 LEU HB2 H 1 1.68 0.005 . 2 . . . . 46 LEU HB2 . 6885 1 256 . 1 1 38 38 LEU HG H 1 1.64 0.005 . 1 . . . . 46 LEU HG . 6885 1 257 . 1 1 38 38 LEU HD11 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1 258 . 1 1 38 38 LEU HD12 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1 259 . 1 1 38 38 LEU HD13 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1 260 . 1 1 38 38 LEU N N 15 125.82 0.02 . 1 . . . . 46 LEU N . 6885 1 261 . 1 1 39 39 ARG H H 1 7.7 0.005 . 1 . . . . 47 ARG H . 6885 1 262 . 1 1 39 39 ARG HA H 1 4.47 0.005 . 1 . . . . 47 ARG HA . 6885 1 263 . 1 1 39 39 ARG HB2 H 1 1.68 0.005 . 4 . . . . 47 ARG HB2 . 6885 1 264 . 1 1 39 39 ARG HB3 H 1 1.99 0.005 . 4 . . . . 47 ARG HB3 . 6885 1 265 . 1 1 39 39 ARG HG2 H 1 1.56 0.005 . 2 . . . . 47 ARG HG2 . 6885 1 266 . 1 1 39 39 ARG N N 15 121.14 0.02 . 1 . . . . 47 ARG N . 6885 1 267 . 1 1 40 40 ASP H H 1 8.48 0.005 . 1 . . . . 48 ASP H . 6885 1 268 . 1 1 40 40 ASP HA H 1 4.37 0.005 . 1 . . . . 48 ASP HA . 6885 1 269 . 1 1 40 40 ASP HB2 H 1 2.30 0.005 . 2 . . . . 48 ASP HB2 . 6885 1 270 . 1 1 40 40 ASP N N 15 119.87 0.02 . 1 . . . . 48 ASP N . 6885 1 271 . 1 1 41 41 ASP H H 1 8.46 0.005 . 1 . . . . 49 ASP H . 6885 1 272 . 1 1 41 41 ASP HA H 1 4.49 0.005 . 1 . . . . 49 ASP HA . 6885 1 273 . 1 1 41 41 ASP HB2 H 1 2.79 0.005 . 2 . . . . 49 ASP HB2 . 6885 1 274 . 1 1 41 41 ASP HB3 H 1 2.63 0.005 . 2 . . . . 49 ASP HB3 . 6885 1 275 . 1 1 41 41 ASP N N 15 116.23 0.02 . 1 . . . . 49 ASP N . 6885 1 276 . 1 1 42 42 VAL H H 1 7.3 0.005 . 1 . . . . 50 VAL H . 6885 1 277 . 1 1 42 42 VAL HA H 1 3.78 0.005 . 1 . . . . 50 VAL HA . 6885 1 278 . 1 1 42 42 VAL HB H 1 2.11 0.005 . 1 . . . . 50 VAL HB . 6885 1 279 . 1 1 42 42 VAL HG11 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1 280 . 1 1 42 42 VAL HG12 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1 281 . 1 1 42 42 VAL HG13 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1 282 . 1 1 42 42 VAL HG21 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1 283 . 1 1 42 42 VAL HG22 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1 284 . 1 1 42 42 VAL HG23 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1 285 . 1 1 42 42 VAL N N 15 118.84 0.02 . 1 . . . . 50 VAL N . 6885 1 286 . 1 1 43 43 GLN H H 1 9.08 0.005 . 1 . . . . 51 GLN H . 6885 1 287 . 1 1 43 43 GLN HA H 1 4.49 0.005 . 1 . . . . 51 GLN HA . 6885 1 288 . 1 1 43 43 GLN HB2 H 1 1.91 0.005 . 2 . . . . 51 GLN HB2 . 6885 1 289 . 1 1 43 43 GLN HB3 H 1 2.13 0.005 . 2 . . . . 51 GLN HB3 . 6885 1 290 . 1 1 43 43 GLN HG2 H 1 2.48 0.005 . 2 . . . . 51 GLN HG2 . 6885 1 291 . 1 1 43 43 GLN HG3 H 1 2.41 0.005 . 2 . . . . 51 GLN HG3 . 6885 1 292 . 1 1 43 43 GLN HE21 H 1 7.46 0.005 . 2 . . . . 51 GLN HE21 . 6885 1 293 . 1 1 43 43 GLN HE22 H 1 6.78 0.005 . 2 . . . . 51 GLN HE22 . 6885 1 294 . 1 1 43 43 GLN N N 15 125.06 0.02 . 1 . . . . 51 GLN N . 6885 1 295 . 1 1 43 43 GLN NE2 N 15 112.30 0.02 . 1 . . . . 51 GLN NE2 . 6885 1 296 . 1 1 44 44 SER H H 1 7.65 0.005 . 1 . . . . 52 SER H . 6885 1 297 . 1 1 44 44 SER HA H 1 4.67 0.005 . 1 . . . . 52 SER HA . 6885 1 298 . 1 1 44 44 SER HB2 H 1 3.77 0.005 . 2 . . . . 52 SER HB2 . 6885 1 299 . 1 1 44 44 SER N N 15 112.64 0.02 . 1 . . . . 52 SER N . 6885 1 300 . 1 1 45 45 ILE H H 1 8.37 0.005 . 1 . . . . 53 ILE H . 6885 1 301 . 1 1 45 45 ILE HA H 1 4.51 0.005 . 1 . . . . 53 ILE HA . 6885 1 302 . 1 1 45 45 ILE HB H 1 1.50 0.005 . 1 . . . . 53 ILE HB . 6885 1 303 . 1 1 45 45 ILE HG12 H 1 0.72 0.005 . 2 . . . . 53 ILE HG12 . 6885 1 304 . 1 1 45 45 ILE HG13 H 1 0.74 0.005 . 2 . . . . 53 ILE HG13 . 6885 1 305 . 1 1 45 45 ILE HG21 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1 306 . 1 1 45 45 ILE HG22 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1 307 . 1 1 45 45 ILE HG23 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1 308 . 1 1 45 45 ILE HD11 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1 309 . 1 1 45 45 ILE HD12 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1 310 . 1 1 45 45 ILE HD13 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1 311 . 1 1 45 45 ILE N N 15 121.71 0.02 . 1 . . . . 53 ILE N . 6885 1 312 . 1 1 46 46 ASN H H 1 8.74 0.005 . 1 . . . . 54 ASN H . 6885 1 313 . 1 1 46 46 ASN HA H 1 5.2 0.005 . 1 . . . . 54 ASN HA . 6885 1 314 . 1 1 46 46 ASN HB2 H 1 2.59 0.005 . 2 . . . . 54 ASN HB2 . 6885 1 315 . 1 1 46 46 ASN HB3 H 1 2.52 0.005 . 2 . . . . 54 ASN HB3 . 6885 1 316 . 1 1 46 46 ASN HD21 H 1 7.52 0.005 . 2 . . . . 54 ASN HD21 . 6885 1 317 . 1 1 46 46 ASN HD22 H 1 7.05 0.005 . 2 . . . . 54 ASN HD22 . 6885 1 318 . 1 1 46 46 ASN N N 15 125.65 0.02 . 1 . . . . 54 ASN N . 6885 1 319 . 1 1 46 46 ASN ND2 N 15 112.47 0.02 . 1 . . . . 54 ASN ND2 . 6885 1 320 . 1 1 47 47 TRP H H 1 8.55 0.005 . 1 . . . . 55 TRP H . 6885 1 321 . 1 1 47 47 TRP HA H 1 5.55 0.005 . 1 . . . . 55 TRP HA . 6885 1 322 . 1 1 47 47 TRP HB2 H 1 2.98 0.005 . 2 . . . . 55 TRP HB2 . 6885 1 323 . 1 1 47 47 TRP HB3 H 1 3.05 0.005 . 2 . . . . 55 TRP HB3 . 6885 1 324 . 1 1 47 47 TRP HD1 H 1 7.11 0.005 . 1 . . . . 55 TRP HD1 . 6885 1 325 . 1 1 47 47 TRP HE1 H 1 9.73 0.005 . 1 . . . . 55 TRP HE1 . 6885 1 326 . 1 1 47 47 TRP HE3 H 1 7.42 0.005 . 1 . . . . 55 TRP HE3 . 6885 1 327 . 1 1 47 47 TRP HZ2 H 1 7.30 0.005 . 1 . . . . 55 TRP HZ2 . 6885 1 328 . 1 1 47 47 TRP HZ3 H 1 6.64 0.005 . 1 . . . . 55 TRP HZ3 . 6885 1 329 . 1 1 47 47 TRP HH2 H 1 6.49 0.005 . 1 . . . . 55 TRP HH2 . 6885 1 330 . 1 1 47 47 TRP N N 15 122.69 0.02 . 1 . . . . 55 TRP N . 6885 1 331 . 1 1 47 47 TRP NE1 N 15 127.8 0.02 . 1 . . . . 55 TRP NE1 . 6885 1 332 . 1 1 48 48 LEU H H 1 9.63 0.005 . 1 . . . . 56 LEU H . 6885 1 333 . 1 1 48 48 LEU HA H 1 5.08 0.005 . 1 . . . . 56 LEU HA . 6885 1 334 . 1 1 48 48 LEU HB2 H 1 1.71 0.005 . 2 . . . . 56 LEU HB2 . 6885 1 335 . 1 1 48 48 LEU HB3 H 1 1.17 0.005 . 2 . . . . 56 LEU HB3 . 6885 1 336 . 1 1 48 48 LEU HG H 1 1.43 0.005 . 1 . . . . 56 LEU HG . 6885 1 337 . 1 1 48 48 LEU HD11 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1 338 . 1 1 48 48 LEU HD12 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1 339 . 1 1 48 48 LEU HD13 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1 340 . 1 1 48 48 LEU HD21 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1 341 . 1 1 48 48 LEU HD22 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1 342 . 1 1 48 48 LEU HD23 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1 343 . 1 1 48 48 LEU N N 15 122.21 0.02 . 1 . . . . 56 LEU N . 6885 1 344 . 1 1 49 49 ARG H H 1 9.03 0.005 . 1 . . . . 57 ARG H . 6885 1 345 . 1 1 49 49 ARG HA H 1 4.64 0.005 . 1 . . . . 57 ARG HA . 6885 1 346 . 1 1 49 49 ARG HB2 H 1 1.55 0.005 . 4 . . . . 57 ARG HB2 . 6885 1 347 . 1 1 49 49 ARG N N 15 118.78 0.02 . 1 . . . . 57 ARG N . 6885 1 348 . 1 1 50 50 ASP H H 1 9.78 0.005 . 1 . . . . 58 ASP H . 6885 1 349 . 1 1 50 50 ASP HA H 1 4.32 0.005 . 1 . . . . 58 ASP HA . 6885 1 350 . 1 1 50 50 ASP HB2 H 1 2.62 0.005 . 2 . . . . 58 ASP HB2 . 6885 1 351 . 1 1 50 50 ASP N N 15 129.71 0.02 . 1 . . . . 58 ASP N . 6885 1 352 . 1 1 51 51 GLY H H 1 8.3 0.005 . 1 . . . . 59 GLY H . 6885 1 353 . 1 1 51 51 GLY HA2 H 1 3.28 0.005 . 2 . . . . 59 GLY HA2 . 6885 1 354 . 1 1 51 51 GLY HA3 H 1 4.04 0.005 . 2 . . . . 59 GLY HA3 . 6885 1 355 . 1 1 51 51 GLY N N 15 101.5 0.02 . 1 . . . . 59 GLY N . 6885 1 356 . 1 1 52 52 VAL H H 1 7.71 0.005 . 1 . . . . 60 VAL H . 6885 1 357 . 1 1 52 52 VAL HA H 1 4.39 0.005 . 1 . . . . 60 VAL HA . 6885 1 358 . 1 1 52 52 VAL HB H 1 2.12 0.005 . 1 . . . . 60 VAL HB . 6885 1 359 . 1 1 52 52 VAL HG11 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1 360 . 1 1 52 52 VAL HG12 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1 361 . 1 1 52 52 VAL HG13 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1 362 . 1 1 52 52 VAL HG21 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1 363 . 1 1 52 52 VAL HG22 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1 364 . 1 1 52 52 VAL HG23 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1 365 . 1 1 52 52 VAL N N 15 119.73 0.02 . 1 . . . . 60 VAL N . 6885 1 366 . 1 1 53 53 GLN H H 1 8.65 0.005 . 1 . . . . 61 GLN H . 6885 1 367 . 1 1 53 53 GLN HA H 1 4.21 0.005 . 1 . . . . 61 GLN HA . 6885 1 368 . 1 1 53 53 GLN HB2 H 1 2.09 0.005 . 2 . . . . 61 GLN HB2 . 6885 1 369 . 1 1 53 53 GLN HB3 H 1 1.99 0.005 . 2 . . . . 61 GLN HB3 . 6885 1 370 . 1 1 53 53 GLN HG2 H 1 2.47 0.005 . 2 . . . . 61 GLN HG2 . 6885 1 371 . 1 1 53 53 GLN HG3 H 1 2.43 0.005 . 2 . . . . 61 GLN HG3 . 6885 1 372 . 1 1 53 53 GLN HE21 H 1 7.76 0.005 . 2 . . . . 61 GLN HE21 . 6885 1 373 . 1 1 53 53 GLN HE22 H 1 7.26 0.005 . 2 . . . . 61 GLN HE22 . 6885 1 374 . 1 1 53 53 GLN N N 15 125.03 0.02 . 1 . . . . 61 GLN N . 6885 1 375 . 1 1 53 53 GLN NE2 N 15 113.52 0.02 . 1 . . . . 61 GLN NE2 . 6885 1 376 . 1 1 54 54 LEU H H 1 8.58 0.005 . 1 . . . . 62 LEU H . 6885 1 377 . 1 1 54 54 LEU HA H 1 4.39 0.005 . 1 . . . . 62 LEU HA . 6885 1 378 . 1 1 54 54 LEU HB2 H 1 1.68 0.005 . 2 . . . . 62 LEU HB2 . 6885 1 379 . 1 1 54 54 LEU HB3 H 1 1.15 0.005 . 2 . . . . 62 LEU HB3 . 6885 1 380 . 1 1 54 54 LEU N N 15 129.36 0.02 . 1 . . . . 62 LEU N . 6885 1 381 . 1 1 55 55 VAL H H 1 7.95 0.005 . 1 . . . . 63 VAL H . 6885 1 382 . 1 1 55 55 VAL HA H 1 4.42 0.005 . 1 . . . . 63 VAL HA . 6885 1 383 . 1 1 55 55 VAL HB H 1 2.12 0.005 . 1 . . . . 63 VAL HB . 6885 1 384 . 1 1 55 55 VAL HG11 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1 385 . 1 1 55 55 VAL HG12 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1 386 . 1 1 55 55 VAL HG13 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1 387 . 1 1 55 55 VAL HG21 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1 388 . 1 1 55 55 VAL HG22 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1 389 . 1 1 55 55 VAL HG23 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1 390 . 1 1 55 55 VAL N N 15 122.01 0.02 . 1 . . . . 63 VAL N . 6885 1 391 . 1 1 56 56 GLU H H 1 8.53 0.005 . 1 . . . . 64 GLU H . 6885 1 392 . 1 1 56 56 GLU HA H 1 4.11 0.005 . 1 . . . . 64 GLU HA . 6885 1 393 . 1 1 56 56 GLU HB2 H 1 2.15 0.005 . 2 . . . . 64 GLU HB2 . 6885 1 394 . 1 1 56 56 GLU HB3 H 1 2.10 0.005 . 2 . . . . 64 GLU HB3 . 6885 1 395 . 1 1 56 56 GLU N N 15 122.97 0.02 . 1 . . . . 64 GLU N . 6885 1 396 . 1 1 57 57 SER H H 1 9.08 0.005 . 1 . . . . 65 SER H . 6885 1 397 . 1 1 57 57 SER HA H 1 4.8 0.005 . 1 . . . . 65 SER HA . 6885 1 398 . 1 1 57 57 SER N N 15 117.95 0.02 . 1 . . . . 65 SER N . 6885 1 399 . 1 1 59 59 ARG HG2 H 1 1.68 0.005 . 2 . . . . 67 ARG HG2 . 6885 1 400 . 1 1 59 59 ARG HD2 H 1 3.24 0.005 . 2 . . . . 67 ARG HD2 . 6885 1 401 . 1 1 59 59 ARG HD3 H 1 3.34 0.005 . 2 . . . . 67 ARG HD3 . 6885 1 402 . 1 1 60 60 THR H H 1 7.43 0.005 . 1 . . . . 68 THR H . 6885 1 403 . 1 1 60 60 THR HA H 1 5.02 0.005 . 1 . . . . 68 THR HA . 6885 1 404 . 1 1 60 60 THR HB H 1 4.13 0.005 . 1 . . . . 68 THR HB . 6885 1 405 . 1 1 60 60 THR HG21 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1 406 . 1 1 60 60 THR HG22 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1 407 . 1 1 60 60 THR HG23 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1 408 . 1 1 60 60 THR N N 15 118.13 0.02 . 1 . . . . 68 THR N . 6885 1 409 . 1 1 61 61 ARG H H 1 9.11 0.005 . 1 . . . . 69 ARG H . 6885 1 410 . 1 1 61 61 ARG HA H 1 4.81 0.005 . 1 . . . . 69 ARG HA . 6885 1 411 . 1 1 61 61 ARG HB2 H 1 1.73 0.005 . 2 . . . . 69 ARG HB2 . 6885 1 412 . 1 1 61 61 ARG HB3 H 1 1.67 0.005 . 2 . . . . 69 ARG HB3 . 6885 1 413 . 1 1 61 61 ARG HG2 H 1 1.57 0.005 . 2 . . . . 69 ARG HG2 . 6885 1 414 . 1 1 61 61 ARG HG3 H 1 1.42 0.005 . 2 . . . . 69 ARG HG3 . 6885 1 415 . 1 1 61 61 ARG HD2 H 1 3.14 0.005 . 2 . . . . 69 ARG HD2 . 6885 1 416 . 1 1 61 61 ARG HD3 H 1 3.07 0.005 . 2 . . . . 69 ARG HD3 . 6885 1 417 . 1 1 61 61 ARG HE H 1 7.04 0.005 . 1 . . . . 69 ARG HE . 6885 1 418 . 1 1 61 61 ARG N N 15 127.5 0.02 . 1 . . . . 69 ARG N . 6885 1 419 . 1 1 62 62 ILE H H 1 9.3 0.005 . 1 . . . . 70 ILE H . 6885 1 420 . 1 1 62 62 ILE HA H 1 4.32 0.005 . 1 . . . . 70 ILE HA . 6885 1 421 . 1 1 62 62 ILE HB H 1 1.69 0.005 . 1 . . . . 70 ILE HB . 6885 1 422 . 1 1 62 62 ILE HG12 H 1 0.57 0.005 . 2 . . . . 70 ILE HG12 . 6885 1 423 . 1 1 62 62 ILE HG21 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1 424 . 1 1 62 62 ILE HG22 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1 425 . 1 1 62 62 ILE HG23 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1 426 . 1 1 62 62 ILE HD11 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1 427 . 1 1 62 62 ILE HD12 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1 428 . 1 1 62 62 ILE HD13 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1 429 . 1 1 62 62 ILE N N 15 127.16 0.02 . 1 . . . . 70 ILE N . 6885 1 430 . 1 1 63 63 THR H H 1 8.82 0.005 . 1 . . . . 71 THR H . 6885 1 431 . 1 1 63 63 THR HA H 1 4.6 0.005 . 1 . . . . 71 THR HA . 6885 1 432 . 1 1 63 63 THR HB H 1 4.24 0.005 . 1 . . . . 71 THR HB . 6885 1 433 . 1 1 63 63 THR HG21 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1 434 . 1 1 63 63 THR HG22 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1 435 . 1 1 63 63 THR HG23 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1 436 . 1 1 63 63 THR N N 15 121.97 0.02 . 1 . . . . 71 THR N . 6885 1 437 . 1 1 64 64 GLY H H 1 8.35 0.005 . 1 . . . . 72 GLY H . 6885 1 438 . 1 1 64 64 GLY HA2 H 1 4.22 0.005 . 2 . . . . 72 GLY HA2 . 6885 1 439 . 1 1 64 64 GLY HA3 H 1 3.64 0.005 . 2 . . . . 72 GLY HA3 . 6885 1 440 . 1 1 64 64 GLY N N 15 114.03 0.02 . 1 . . . . 72 GLY N . 6885 1 441 . 1 1 65 65 GLU H H 1 9.65 0.005 . 1 . . . . 73 GLU H . 6885 1 442 . 1 1 65 65 GLU HA H 1 4.35 0.005 . 1 . . . . 73 GLU HA . 6885 1 443 . 1 1 65 65 GLU HB2 H 1 2.13 0.005 . 2 . . . . 73 GLU HB2 . 6885 1 444 . 1 1 65 65 GLU HB3 H 1 2.08 0.005 . 2 . . . . 73 GLU HB3 . 6885 1 445 . 1 1 65 65 GLU HG2 H 1 2.35 0.005 . 2 . . . . 73 GLU HG2 . 6885 1 446 . 1 1 65 65 GLU N N 15 125.96 0.02 . 1 . . . . 73 GLU N . 6885 1 447 . 1 1 66 66 GLU H H 1 7.87 0.005 . 1 . . . . 74 GLU H . 6885 1 448 . 1 1 66 66 GLU HA H 1 5.46 0.005 . 1 . . . . 74 GLU HA . 6885 1 449 . 1 1 66 66 GLU HB2 H 1 1.92 0.005 . 2 . . . . 74 GLU HB2 . 6885 1 450 . 1 1 66 66 GLU HB3 H 1 1.85 0.005 . 2 . . . . 74 GLU HB3 . 6885 1 451 . 1 1 66 66 GLU HG2 H 1 2.10 0.005 . 2 . . . . 74 GLU HG2 . 6885 1 452 . 1 1 66 66 GLU HG3 H 1 2.04 0.005 . 2 . . . . 74 GLU HG3 . 6885 1 453 . 1 1 66 66 GLU N N 15 119.22 0.02 . 1 . . . . 74 GLU N . 6885 1 454 . 1 1 67 67 VAL H H 1 8.07 0.005 . 1 . . . . 75 VAL H . 6885 1 455 . 1 1 67 67 VAL HA H 1 4.32 0.005 . 1 . . . . 75 VAL HA . 6885 1 456 . 1 1 67 67 VAL HB H 1 0.54 0.005 . 1 . . . . 75 VAL HB . 6885 1 457 . 1 1 67 67 VAL HG11 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1 458 . 1 1 67 67 VAL HG12 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1 459 . 1 1 67 67 VAL HG13 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1 460 . 1 1 67 67 VAL HG21 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1 461 . 1 1 67 67 VAL HG22 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1 462 . 1 1 67 67 VAL HG23 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1 463 . 1 1 67 67 VAL N N 15 121.41 0.02 . 1 . . . . 75 VAL N . 6885 1 464 . 1 1 68 68 GLU H H 1 8.61 0.005 . 1 . . . . 76 GLU H . 6885 1 465 . 1 1 68 68 GLU HA H 1 5.18 0.005 . 1 . . . . 76 GLU HA . 6885 1 466 . 1 1 68 68 GLU HB2 H 1 1.83 0.005 . 2 . . . . 76 GLU HB2 . 6885 1 467 . 1 1 68 68 GLU HG2 H 1 2.06 0.005 . 2 . . . . 76 GLU HG2 . 6885 1 468 . 1 1 68 68 GLU N N 15 125.95 0.02 . 1 . . . . 76 GLU N . 6885 1 469 . 1 1 69 69 VAL H H 1 9.07 0.005 . 1 . . . . 77 VAL H . 6885 1 470 . 1 1 69 69 VAL HA H 1 4.76 0.005 . 1 . . . . 77 VAL HA . 6885 1 471 . 1 1 69 69 VAL HB H 1 1.87 0.005 . 1 . . . . 77 VAL HB . 6885 1 472 . 1 1 69 69 VAL HG11 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1 473 . 1 1 69 69 VAL HG12 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1 474 . 1 1 69 69 VAL HG13 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1 475 . 1 1 69 69 VAL N N 15 126.88 0.02 . 1 . . . . 77 VAL N . 6885 1 476 . 1 1 70 70 ARG H H 1 8.47 0.005 . 1 . . . . 78 ARG H . 6885 1 477 . 1 1 70 70 ARG HA H 1 4.34 0.005 . 1 . . . . 78 ARG HA . 6885 1 478 . 1 1 70 70 ARG HB2 H 1 1.63 0.005 . 2 . . . . 78 ARG HB2 . 6885 1 479 . 1 1 70 70 ARG HG2 H 1 1.60 0.005 . 2 . . . . 78 ARG HG2 . 6885 1 480 . 1 1 70 70 ARG HD2 H 1 3.12 0.005 . 2 . . . . 78 ARG HD2 . 6885 1 481 . 1 1 70 70 ARG HE H 1 7.28 0.005 . 1 . . . . 78 ARG HE . 6885 1 482 . 1 1 70 70 ARG N N 15 124.55 0.02 . 1 . . . . 78 ARG N . 6885 1 483 . 1 1 71 71 ASP H H 1 8.8 0.005 . 1 . . . . 79 ASP H . 6885 1 484 . 1 1 71 71 ASP HA H 1 3.98 0.005 . 1 . . . . 79 ASP HA . 6885 1 485 . 1 1 71 71 ASP HB2 H 1 2.70 0.005 . 2 . . . . 79 ASP HB2 . 6885 1 486 . 1 1 71 71 ASP HB3 H 1 2.50 0.005 . 2 . . . . 79 ASP HB3 . 6885 1 487 . 1 1 71 71 ASP N N 15 118.56 0.02 . 1 . . . . 79 ASP N . 6885 1 488 . 1 1 72 72 SER H H 1 7.01 0.005 . . . . . . 80 SER H . 6885 1 489 . 1 1 72 72 SER N N 15 110.66 0.02 . . . . . . 80 SER N . 6885 1 490 . 1 1 73 73 ILE H H 1 9.13 0.005 . 1 . . . . 81 ILE H . 6885 1 491 . 1 1 73 73 ILE HA H 1 4.85 0.005 . 1 . . . . 81 ILE HA . 6885 1 492 . 1 1 73 73 ILE HB H 1 2.10 0.005 . 1 . . . . 81 ILE HB . 6885 1 493 . 1 1 73 73 ILE HG12 H 1 1.24 0.005 . 2 . . . . 81 ILE HG12 . 6885 1 494 . 1 1 73 73 ILE HG13 H 1 1.03 0.005 . 2 . . . . 81 ILE HG13 . 6885 1 495 . 1 1 73 73 ILE HG21 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1 496 . 1 1 73 73 ILE HG22 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1 497 . 1 1 73 73 ILE HG23 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1 498 . 1 1 73 73 ILE HD11 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1 499 . 1 1 73 73 ILE HD12 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1 500 . 1 1 73 73 ILE HD13 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1 501 . 1 1 73 73 ILE N N 15 116.91 0.02 . 1 . . . . 81 ILE N . 6885 1 502 . 1 1 74 74 PRO HB2 H 1 2.12 0.005 . 2 . . . . 82 PRO HB2 . 6885 1 503 . 1 1 74 74 PRO HB3 H 1 2.28 0.005 . 2 . . . . 82 PRO HB3 . 6885 1 504 . 1 1 74 74 PRO HG2 H 1 1.82 0.005 . 2 . . . . 82 PRO HG2 . 6885 1 505 . 1 1 74 74 PRO HD2 H 1 3.86 0.005 . 2 . . . . 82 PRO HD2 . 6885 1 506 . 1 1 75 75 ALA H H 1 7.98 0.005 . 1 . . . . 83 ALA H . 6885 1 507 . 1 1 75 75 ALA HA H 1 4.32 0.005 . 1 . . . . 83 ALA HA . 6885 1 508 . 1 1 75 75 ALA HB1 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1 509 . 1 1 75 75 ALA HB2 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1 510 . 1 1 75 75 ALA HB3 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1 511 . 1 1 75 75 ALA N N 15 117.77 0.02 . 1 . . . . 83 ALA N . 6885 1 512 . 1 1 76 76 ASP H H 1 8.71 0.005 . 1 . . . . 84 ASP H . 6885 1 513 . 1 1 76 76 ASP HA H 1 4.54 0.005 . 1 . . . . 84 ASP HA . 6885 1 514 . 1 1 76 76 ASP HB2 H 1 2.93 0.005 . 2 . . . . 84 ASP HB2 . 6885 1 515 . 1 1 76 76 ASP HB3 H 1 2.55 0.005 . 2 . . . . 84 ASP HB3 . 6885 1 516 . 1 1 76 76 ASP N N 15 117.31 0.02 . 1 . . . . 84 ASP N . 6885 1 517 . 1 1 77 77 SER H H 1 8.06 0.005 . . . . . . 85 SER H . 6885 1 518 . 1 1 77 77 SER HA H 1 4.3 0.005 . . . . . . 85 SER HA . 6885 1 519 . 1 1 77 77 SER N N 15 116.86 0.02 . . . . . . 85 SER N . 6885 1 520 . 1 1 78 78 GLY H H 1 8.98 0.005 . 1 . . . . 86 GLY H . 6885 1 521 . 1 1 78 78 GLY HA2 H 1 4.33 0.005 . 2 . . . . 86 GLY HA2 . 6885 1 522 . 1 1 78 78 GLY HA3 H 1 4.05 0.005 . 2 . . . . 86 GLY HA3 . 6885 1 523 . 1 1 78 78 GLY N N 15 111.09 0.02 . 1 . . . . 86 GLY N . 6885 1 524 . 1 1 79 79 LEU H H 1 8.9 0.005 . 1 . . . . 87 LEU H . 6885 1 525 . 1 1 79 79 LEU HA H 1 5.41 0.005 . 1 . . . . 87 LEU HA . 6885 1 526 . 1 1 79 79 LEU HB2 H 1 2.17 0.005 . 2 . . . . 87 LEU HB2 . 6885 1 527 . 1 1 79 79 LEU HG H 1 1.49 0.005 . 1 . . . . 87 LEU HG . 6885 1 528 . 1 1 79 79 LEU HD11 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1 529 . 1 1 79 79 LEU HD12 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1 530 . 1 1 79 79 LEU HD13 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1 531 . 1 1 79 79 LEU HD21 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1 532 . 1 1 79 79 LEU HD22 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1 533 . 1 1 79 79 LEU HD23 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1 534 . 1 1 79 79 LEU N N 15 123.34 0.02 . 1 . . . . 87 LEU N . 6885 1 535 . 1 1 80 80 TYR H H 1 10.06 0.005 . 1 . . . . 88 TYR H . 6885 1 536 . 1 1 80 80 TYR HA H 1 5.56 0.005 . 1 . . . . 88 TYR HA . 6885 1 537 . 1 1 80 80 TYR HB2 H 1 3.43 0.005 . 2 . . . . 88 TYR HB2 . 6885 1 538 . 1 1 80 80 TYR HB3 H 1 2.97 0.005 . 2 . . . . 88 TYR HB3 . 6885 1 539 . 1 1 80 80 TYR HD1 H 1 7.13 0.005 . 3 . . . . 88 TYR HD1 . 6885 1 540 . 1 1 80 80 TYR HE1 H 1 6.62 0.005 . 3 . . . . 88 TYR HE1 . 6885 1 541 . 1 1 80 80 TYR N N 15 130.81 0.02 . 1 . . . . 88 TYR N . 6885 1 542 . 1 1 81 81 ALA H H 1 9.54 0.005 . 1 . . . . 89 ALA H . 6885 1 543 . 1 1 81 81 ALA HA H 1 5.58 0.005 . 1 . . . . 89 ALA HA . 6885 1 544 . 1 1 81 81 ALA HB1 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1 545 . 1 1 81 81 ALA HB2 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1 546 . 1 1 81 81 ALA HB3 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1 547 . 1 1 81 81 ALA N N 15 123.03 0.02 . 1 . . . . 89 ALA N . 6885 1 548 . 1 1 82 82 CYS H H 1 8.63 0.005 . 1 . . . . 90 CYS H . 6885 1 549 . 1 1 82 82 CYS HA H 1 4.42 0.005 . 1 . . . . 90 CYS HA . 6885 1 550 . 1 1 82 82 CYS HB2 H 1 1.98 0.005 . 2 . . . . 90 CYS HB2 . 6885 1 551 . 1 1 82 82 CYS HB3 H 1 1.44 0.005 . 2 . . . . 90 CYS HB3 . 6885 1 552 . 1 1 82 82 CYS N N 15 118.94 0.02 . 1 . . . . 90 CYS N . 6885 1 553 . 1 1 83 83 VAL H H 1 9.01 0.005 . 1 . . . . 91 VAL H . 6885 1 554 . 1 1 83 83 VAL HA H 1 4.77 0.005 . 1 . . . . 91 VAL HA . 6885 1 555 . 1 1 83 83 VAL HB H 1 1.81 0.005 . 1 . . . . 91 VAL HB . 6885 1 556 . 1 1 83 83 VAL HG11 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1 557 . 1 1 83 83 VAL HG12 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1 558 . 1 1 83 83 VAL HG13 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1 559 . 1 1 83 83 VAL N N 15 128 0.02 . 1 . . . . 91 VAL N . 6885 1 560 . 1 1 84 84 THR H H 1 9.3 0.005 . 1 . . . . 92 THR H . 6885 1 561 . 1 1 84 84 THR HA H 1 5.2 0.005 . 1 . . . . 92 THR HA . 6885 1 562 . 1 1 84 84 THR HG21 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1 563 . 1 1 84 84 THR HG22 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1 564 . 1 1 84 84 THR HG23 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1 565 . 1 1 84 84 THR N N 15 120.16 0.02 . 1 . . . . 92 THR N . 6885 1 566 . 1 1 85 85 SER H H 1 8.31 0.005 . . . . . . 93 SER H . 6885 1 567 . 1 1 85 85 SER HA H 1 5.02 0.005 . . . . . . 93 SER HA . 6885 1 568 . 1 1 85 85 SER HB2 H 1 3.70 0.005 . . . . . . 93 SER HB2 . 6885 1 569 . 1 1 85 85 SER HB3 H 1 3.76 0.005 . . . . . . 93 SER HB3 . 6885 1 570 . 1 1 85 85 SER N N 15 115.62 0.02 . . . . . . 93 SER N . 6885 1 571 . 1 1 86 86 SER H H 1 8.5 0.005 . . . . . . 94 SER H . 6885 1 572 . 1 1 86 86 SER HA H 1 4.95 0.005 . . . . . . 94 SER HA . 6885 1 573 . 1 1 86 86 SER N N 15 122.95 0.02 . . . . . . 94 SER N . 6885 1 574 . 1 1 87 87 PRO HA H 1 4.41 0.005 . 1 . . . . 95 PRO HA . 6885 1 575 . 1 1 87 87 PRO HB2 H 1 2.43 0.005 . 2 . . . . 95 PRO HB2 . 6885 1 576 . 1 1 87 87 PRO HB3 H 1 1.94 0.005 . 2 . . . . 95 PRO HB3 . 6885 1 577 . 1 1 87 87 PRO HG2 H 1 2.19 0.005 . 2 . . . . 95 PRO HG2 . 6885 1 578 . 1 1 87 87 PRO HD2 H 1 3.85 0.005 . 2 . . . . 95 PRO HD2 . 6885 1 579 . 1 1 88 88 SER H H 1 7.85 0.005 . 1 . . . . 96 SER H . 6885 1 580 . 1 1 88 88 SER HA H 1 4.45 0.005 . 1 . . . . 96 SER HA . 6885 1 581 . 1 1 88 88 SER HB2 H 1 3.88 0.005 . 2 . . . . 96 SER HB2 . 6885 1 582 . 1 1 88 88 SER HB3 H 1 3.76 0.005 . 2 . . . . 96 SER HB3 . 6885 1 583 . 1 1 88 88 SER N N 15 109.49 0.02 . 1 . . . . 96 SER N . 6885 1 584 . 1 1 89 89 GLY H H 1 7.65 0.005 . 1 . . . . 97 GLY H . 6885 1 585 . 1 1 89 89 GLY HA2 H 1 4.54 0.005 . 2 . . . . 97 GLY HA2 . 6885 1 586 . 1 1 89 89 GLY HA3 H 1 3.81 0.005 . 2 . . . . 97 GLY HA3 . 6885 1 587 . 1 1 89 89 GLY N N 15 110.57 0.02 . 1 . . . . 97 GLY N . 6885 1 588 . 1 1 90 90 SER H H 1 8.42 0.005 . 1 . . . . 98 SER H . 6885 1 589 . 1 1 90 90 SER HA H 1 5.24 0.005 . 1 . . . . 98 SER HA . 6885 1 590 . 1 1 90 90 SER HB2 H 1 3.62 0.005 . 2 . . . . 98 SER HB2 . 6885 1 591 . 1 1 90 90 SER HB3 H 1 3.79 0.005 . 2 . . . . 98 SER HB3 . 6885 1 592 . 1 1 90 90 SER N N 15 116.23 0.02 . 1 . . . . 98 SER N . 6885 1 593 . 1 1 91 91 ASP H H 1 8.33 0.005 . 1 . . . . 99 ASP H . 6885 1 594 . 1 1 91 91 ASP HA H 1 4.95 0.005 . 1 . . . . 99 ASP HA . 6885 1 595 . 1 1 91 91 ASP HB2 H 1 2.48 0.005 . 2 . . . . 99 ASP HB2 . 6885 1 596 . 1 1 91 91 ASP HB3 H 1 2.39 0.005 . 2 . . . . 99 ASP HB3 . 6885 1 597 . 1 1 91 91 ASP N N 15 123.23 0.02 . 1 . . . . 99 ASP N . 6885 1 598 . 1 1 92 92 THR H H 1 8.29 0.005 . 1 . . . . 100 THR H . 6885 1 599 . 1 1 92 92 THR HA H 1 5.19 0.005 . 1 . . . . 100 THR HA . 6885 1 600 . 1 1 92 92 THR HB H 1 3.56 0.005 . 1 . . . . 100 THR HB . 6885 1 601 . 1 1 92 92 THR HG21 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1 602 . 1 1 92 92 THR HG22 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1 603 . 1 1 92 92 THR HG23 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1 604 . 1 1 92 92 THR N N 15 118.38 0.02 . 1 . . . . 100 THR N . 6885 1 605 . 1 1 93 93 THR H H 1 8.45 0.005 . 1 . . . . 101 THR H . 6885 1 606 . 1 1 93 93 THR HA H 1 4.3 0.005 . 1 . . . . 101 THR HA . 6885 1 607 . 1 1 93 93 THR HB H 1 3.90 0.005 . 1 . . . . 101 THR HB . 6885 1 608 . 1 1 93 93 THR HG21 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1 609 . 1 1 93 93 THR HG22 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1 610 . 1 1 93 93 THR HG23 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1 611 . 1 1 93 93 THR N N 15 123.27 0.02 . 1 . . . . 101 THR N . 6885 1 612 . 1 1 94 94 TYR H H 1 8.54 0.005 . 1 . . . . 102 TYR H . 6885 1 613 . 1 1 94 94 TYR HA H 1 5.3 0.005 . 1 . . . . 102 TYR HA . 6885 1 614 . 1 1 94 94 TYR HB2 H 1 2.85 0.005 . 2 . . . . 102 TYR HB2 . 6885 1 615 . 1 1 94 94 TYR HD1 H 1 6.98 0.005 . 3 . . . . 102 TYR HD1 . 6885 1 616 . 1 1 94 94 TYR HE1 H 1 6.55 0.005 . 3 . . . . 102 TYR HE1 . 6885 1 617 . 1 1 94 94 TYR N N 15 123.44 0.02 . 1 . . . . 102 TYR N . 6885 1 618 . 1 1 95 95 PHE H H 1 9.63 0.005 . 1 . . . . 103 PHE H . 6885 1 619 . 1 1 95 95 PHE HA H 1 5.31 0.005 . 1 . . . . 103 PHE HA . 6885 1 620 . 1 1 95 95 PHE HB2 H 1 3.06 0.005 . 2 . . . . 103 PHE HB2 . 6885 1 621 . 1 1 95 95 PHE HB3 H 1 2.80 0.005 . 2 . . . . 103 PHE HB3 . 6885 1 622 . 1 1 95 95 PHE HD1 H 1 7.14 0.005 . 3 . . . . 103 PHE HD1 . 6885 1 623 . 1 1 95 95 PHE HE1 H 1 7.31 0.005 . 3 . . . . 103 PHE HE1 . 6885 1 624 . 1 1 95 95 PHE HZ H 1 7.43 0.005 . 1 . . . . 103 PHE HZ . 6885 1 625 . 1 1 95 95 PHE N N 15 118.96 0.02 . 1 . . . . 103 PHE N . 6885 1 626 . 1 1 96 96 SER H H 1 9.38 0.005 . 1 . . . . 104 SER H . 6885 1 627 . 1 1 96 96 SER HA H 1 5.08 0.005 . 1 . . . . 104 SER HA . 6885 1 628 . 1 1 96 96 SER HB2 H 1 3.96 0.005 . 2 . . . . 104 SER HB2 . 6885 1 629 . 1 1 96 96 SER HB3 H 1 3.61 0.005 . 2 . . . . 104 SER HB3 . 6885 1 630 . 1 1 96 96 SER N N 15 120.69 0.02 . 1 . . . . 104 SER N . 6885 1 631 . 1 1 97 97 VAL H H 1 9.19 0.005 . 1 . . . . 105 VAL H . 6885 1 632 . 1 1 97 97 VAL HA H 1 4.63 0.005 . 1 . . . . 105 VAL HA . 6885 1 633 . 1 1 97 97 VAL HB H 1 2.51 0.005 . 1 . . . . 105 VAL HB . 6885 1 634 . 1 1 97 97 VAL HG11 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1 635 . 1 1 97 97 VAL HG12 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1 636 . 1 1 97 97 VAL HG13 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1 637 . 1 1 97 97 VAL HG21 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1 638 . 1 1 97 97 VAL HG22 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1 639 . 1 1 97 97 VAL HG23 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1 640 . 1 1 97 97 VAL N N 15 129.19 0.02 . 1 . . . . 105 VAL N . 6885 1 641 . 1 1 98 98 ASN H H 1 8.85 0.005 . 1 . . . . 106 ASN H . 6885 1 642 . 1 1 98 98 ASN HA H 1 5 0.005 . 1 . . . . 106 ASN HA . 6885 1 643 . 1 1 98 98 ASN HB2 H 1 2.80 0.005 . 2 . . . . 106 ASN HB2 . 6885 1 644 . 1 1 98 98 ASN HB3 H 1 2.70 0.005 . 2 . . . . 106 ASN HB3 . 6885 1 645 . 1 1 98 98 ASN HD21 H 1 7.38 0.005 . 2 . . . . 106 ASN HD21 . 6885 1 646 . 1 1 98 98 ASN HD22 H 1 6.81 0.005 . 2 . . . . 106 ASN HD22 . 6885 1 647 . 1 1 98 98 ASN N N 15 128.65 0.02 . 1 . . . . 106 ASN N . 6885 1 648 . 1 1 98 98 ASN ND2 N 15 111.15 0.02 . 1 . . . . 106 ASN ND2 . 6885 1 649 . 1 1 99 99 VAL H H 1 8.45 0.005 . 1 . . . . 107 VAL H . 6885 1 650 . 1 1 99 99 VAL HA H 1 4.79 0.005 . 1 . . . . 107 VAL HA . 6885 1 651 . 1 1 99 99 VAL HB H 1 1.93 0.005 . 1 . . . . 107 VAL HB . 6885 1 652 . 1 1 99 99 VAL HG11 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1 653 . 1 1 99 99 VAL HG12 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1 654 . 1 1 99 99 VAL HG13 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1 655 . 1 1 99 99 VAL HG21 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1 656 . 1 1 99 99 VAL HG22 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1 657 . 1 1 99 99 VAL HG23 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1 658 . 1 1 99 99 VAL N N 15 126.87 0.02 . 1 . . . . 107 VAL N . 6885 1 659 . 1 1 100 100 SER H H 1 8.25 0.005 . 1 . . . . 108 SER H . 6885 1 660 . 1 1 100 100 SER HA H 1 4.53 0.005 . 1 . . . . 108 SER HA . 6885 1 661 . 1 1 100 100 SER HB2 H 1 3.79 0.005 . 2 . . . . 108 SER HB2 . 6885 1 662 . 1 1 100 100 SER HB3 H 1 3.51 0.005 . 2 . . . . 108 SER HB3 . 6885 1 663 . 1 1 100 100 SER N N 15 119.07 0.02 . 1 . . . . 108 SER N . 6885 1 664 . 1 1 101 101 ASP H H 1 8.54 0.005 . 1 . . . . 109 ASP H . 6885 1 665 . 1 1 101 101 ASP HA H 1 4.56 0.005 . 1 . . . . 109 ASP HA . 6885 1 666 . 1 1 101 101 ASP HB2 H 1 2.64 0.005 . 2 . . . . 109 ASP HB2 . 6885 1 667 . 1 1 101 101 ASP HB3 H 1 2.54 0.005 . 2 . . . . 109 ASP HB3 . 6885 1 668 . 1 1 101 101 ASP N N 15 123.69 0.02 . 1 . . . . 109 ASP N . 6885 1 669 . 1 1 102 102 ALA H H 1 8.23 0.005 . 1 . . . . 110 ALA H . 6885 1 670 . 1 1 102 102 ALA HA H 1 4.26 0.005 . 1 . . . . 110 ALA HA . 6885 1 671 . 1 1 102 102 ALA HB1 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1 672 . 1 1 102 102 ALA HB2 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1 673 . 1 1 102 102 ALA HB3 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1 674 . 1 1 102 102 ALA N N 15 123.38 0.02 . 1 . . . . 110 ALA N . 6885 1 675 . 1 1 103 103 LEU H H 1 8.22 0.005 . 1 . . . . 111 LEU H . 6885 1 676 . 1 1 103 103 LEU HA H 1 4.54 0.005 . 1 . . . . 111 LEU HA . 6885 1 677 . 1 1 103 103 LEU HB2 H 1 1.57 0.005 . 2 . . . . 111 LEU HB2 . 6885 1 678 . 1 1 103 103 LEU HB3 H 1 1.52 0.005 . 2 . . . . 111 LEU HB3 . 6885 1 679 . 1 1 103 103 LEU HG H 1 1.66 0.005 . 1 . . . . 111 LEU HG . 6885 1 680 . 1 1 103 103 LEU HD11 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1 681 . 1 1 103 103 LEU HD12 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1 682 . 1 1 103 103 LEU HD13 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1 683 . 1 1 103 103 LEU N N 15 123.11 0.02 . 1 . . . . 111 LEU N . 6885 1 684 . 1 1 104 104 PRO HA H 1 4.43 0.005 . 1 . . . . 112 PRO HA . 6885 1 685 . 1 1 104 104 PRO HB2 H 1 1.90 0.005 . 2 . . . . 112 PRO HB2 . 6885 1 686 . 1 1 104 104 PRO HB3 H 1 2.28 0.005 . 2 . . . . 112 PRO HB3 . 6885 1 687 . 1 1 105 105 SER H H 1 8.54 0.005 . 1 . . . . 113 SER H . 6885 1 688 . 1 1 105 105 SER HA H 1 4.61 0.005 . 1 . . . . 113 SER HA . 6885 1 689 . 1 1 105 105 SER HB2 H 1 3.94 0.005 . 2 . . . . 113 SER HB2 . 6885 1 690 . 1 1 105 105 SER HB3 H 1 3.80 0.005 . 2 . . . . 113 SER HB3 . 6885 1 691 . 1 1 105 105 SER N N 15 116.39 0.02 . 1 . . . . 113 SER N . 6885 1 692 . 1 1 106 106 SER H H 1 8.31 0.005 . 1 . . . . 114 SER H . 6885 1 693 . 1 1 106 106 SER HA H 1 4.48 0.005 . 1 . . . . 114 SER HA . 6885 1 694 . 1 1 106 106 SER HB2 H 1 3.83 0.005 . 2 . . . . 114 SER HB2 . 6885 1 695 . 1 1 106 106 SER HB3 H 1 3.86 0.005 . 2 . . . . 114 SER HB3 . 6885 1 696 . 1 1 106 106 SER N N 15 118.35 0.02 . 1 . . . . 114 SER N . 6885 1 697 . 1 1 107 107 GLU H H 1 8.1 0.005 . 1 . . . . 115 GLU H . 6885 1 698 . 1 1 107 107 GLU HA H 1 4.14 0.005 . 1 . . . . 115 GLU HA . 6885 1 699 . 1 1 107 107 GLU HB2 H 1 2.04 0.005 . 2 . . . . 115 GLU HB2 . 6885 1 700 . 1 1 107 107 GLU HB3 H 1 1.88 0.005 . 2 . . . . 115 GLU HB3 . 6885 1 701 . 1 1 107 107 GLU HG2 H 1 2.20 0.005 . 2 . . . . 115 GLU HG2 . 6885 1 702 . 1 1 107 107 GLU N N 15 127.79 0.02 . 1 . . . . 115 GLU N . 6885 1 stop_ save_