data_15028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15028 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of Trx-ArsC complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-13 _Entry.Accession_date 2006-11-13 _Entry.Last_release_date 2008-06-23 _Entry.Original_release_date 2008-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Changwen Jin . . . 15028 2 Yunfei Hu . . . 15028 3 You Li . . . 15028 4 Xinxin Zhang . . . 15028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 740 15028 '15N chemical shifts' 249 15028 '1H chemical shifts' 1543 15028 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-23 2006-11-13 original author . 15028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7108 'Trx monomer, reduced' 15028 BMRB 7109 'Trx monomer, oxidized' 15028 PDB 2IPA 'BMRB Entry Tracking System' 15028 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15028 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17303556 _Citation.Full_citation . _Citation.Title 'Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 15 _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 11078 _Citation.Page_last 11083 _Citation.Year 2007 _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 Y. Li . . . 15028 1 2 Y. Hu . . . 15028 1 3 X. Zhang . . . 15028 1 4 H. Xu . . . 15028 1 5 E. Lescop . . . 15028 1 6 B. Xia . . . 15028 1 7 C. Jin . . . 15028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15028 _Assembly.ID 1 _Assembly.Name 'Trx-ArsC complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass 26890.4 _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 thioredoxin 1 $thioredoxin A . no native no no . . . 15028 1 2 arsenate_reductase 2 $arsenate_reductase A . no native no no . . . 15028 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 single . 1 thioredoxin 1 CYS 29 29 SG . 2 arsenate_reductase 2 CYS 89 89 SG . thioredoxin 29 CYS SG . arsenate_reductase 89 CYS SG 15028 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 29 29 . . 29 CYS HG 15028 1 . . 2 2 CYS 89 89 . . 89 CYS HG 15028 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2IPA . . 'solution NMR' . . . 15028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode thioredoxin _Entity.Entry_ID 15028 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name thioredoxin _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 ; MAIVKATDQSFSAETSEGVV LADFWAPWCGPSKMIAPVLE ELDQEMGDKLKIVKIDVDEN QETAGKYGVMSIPTLLVLKD GEVVETSVGFKPKEALQELV NKHL ; _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 104 _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 C32S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11377.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GZY . "Solution Structures Of The Reduced Form Of Thioredoxin From Bacillus Subtilis" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 2 no PDB 2GZZ . "Solution Structures Of The Oxidized Form Of Thioredoxin From Bacillus Subtilis" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 3 no PDB 2IPA . "Solution Structure Of Trx-Arsc Complex" . . . . . 100.00 104 100.00 100.00 2.31e-67 . . . . 15028 1 4 no PDB 2VOC . "Thioredoxin A Active Site Mutants Form Mixed Disulfide Dimers That Resemble Enzyme-substrate Reaction Intermediate" . . . . . 100.00 112 100.00 100.00 1.51e-67 . . . . 15028 1 5 no DBJ BAI86356 . "thioredoxin [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 6 no DBJ BAM54098 . "thioredoxin [Bacillus subtilis BEST7613]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 7 no DBJ BAM58927 . "thioredoxin [Bacillus subtilis BEST7003]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 8 no DBJ GAK79977 . "thioredoxin [Bacillus subtilis Miyagi-4]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 9 no EMBL CAA99577 . "thioredoxin [Bacillus subtilis]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 10 no EMBL CAB14810 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 11 no EMBL CBI43781 . "thioredoxin [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 104 98.08 99.04 7.91e-66 . . . . 15028 1 12 no EMBL CCF06106 . "thioredoxin [Bacillus methylotrophicus CAU B946]" . . . . . 100.00 104 98.08 99.04 7.91e-66 . . . . 15028 1 13 no EMBL CCG50792 . "thioredoxin [Bacillus methylotrophicus YAU B9601-Y2]" . . . . . 100.00 104 98.08 99.04 7.91e-66 . . . . 15028 1 14 no GB AAA87315 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 15 no GB ABS74914 . "TrxA [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 100.00 104 98.08 99.04 7.91e-66 . . . . 15028 1 16 no GB ADM38802 . "thioredoxin [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 17 no GB ADP33333 . "thioredoxin [Bacillus atrophaeus 1942]" . . . . . 100.00 104 97.12 99.04 1.26e-65 . . . . 15028 1 18 no GB ADV93643 . "thioredoxin [Bacillus subtilis BSn5]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 19 no REF NP_390728 . "thioredoxin [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 20 no REF WP_003152560 . "MULTISPECIES: thioredoxin [Bacillus]" . . . . . 100.00 104 98.08 99.04 7.91e-66 . . . . 15028 1 21 no REF WP_003222500 . "MULTISPECIES: thioredoxin [Bacillales]" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 1 22 no REF WP_003325184 . "MULTISPECIES: thioredoxin [Bacillus subtilis group]" . . . . . 100.00 104 97.12 99.04 1.26e-65 . . . . 15028 1 23 no REF WP_014664890 . "MULTISPECIES: thioredoxin [Bacillus]" . . . . . 100.00 104 98.08 99.04 2.69e-66 . . . . 15028 1 24 no SP P14949 . "RecName: Full=Thioredoxin; Short=Trx" . . . . . 100.00 104 99.04 99.04 1.98e-66 . . . . 15028 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 . MET . 15028 1 2 . ALA . 15028 1 3 . ILE . 15028 1 4 . VAL . 15028 1 5 . LYS . 15028 1 6 . ALA . 15028 1 7 . THR . 15028 1 8 . ASP . 15028 1 9 . GLN . 15028 1 10 . SER . 15028 1 11 . PHE . 15028 1 12 . SER . 15028 1 13 . ALA . 15028 1 14 . GLU . 15028 1 15 . THR . 15028 1 16 . SER . 15028 1 17 . GLU . 15028 1 18 . GLY . 15028 1 19 . VAL . 15028 1 20 . VAL . 15028 1 21 . LEU . 15028 1 22 . ALA . 15028 1 23 . ASP . 15028 1 24 . PHE . 15028 1 25 . TRP . 15028 1 26 . ALA . 15028 1 27 . PRO . 15028 1 28 . TRP . 15028 1 29 . CYS . 15028 1 30 . GLY . 15028 1 31 . PRO . 15028 1 32 . SER . 15028 1 33 . LYS . 15028 1 34 . MET . 15028 1 35 . ILE . 15028 1 36 . ALA . 15028 1 37 . PRO . 15028 1 38 . VAL . 15028 1 39 . LEU . 15028 1 40 . GLU . 15028 1 41 . GLU . 15028 1 42 . LEU . 15028 1 43 . ASP . 15028 1 44 . GLN . 15028 1 45 . GLU . 15028 1 46 . MET . 15028 1 47 . GLY . 15028 1 48 . ASP . 15028 1 49 . LYS . 15028 1 50 . LEU . 15028 1 51 . LYS . 15028 1 52 . ILE . 15028 1 53 . VAL . 15028 1 54 . LYS . 15028 1 55 . ILE . 15028 1 56 . ASP . 15028 1 57 . VAL . 15028 1 58 . ASP . 15028 1 59 . GLU . 15028 1 60 . ASN . 15028 1 61 . GLN . 15028 1 62 . GLU . 15028 1 63 . THR . 15028 1 64 . ALA . 15028 1 65 . GLY . 15028 1 66 . LYS . 15028 1 67 . TYR . 15028 1 68 . GLY . 15028 1 69 . VAL . 15028 1 70 . MET . 15028 1 71 . SER . 15028 1 72 . ILE . 15028 1 73 . PRO . 15028 1 74 . THR . 15028 1 75 . LEU . 15028 1 76 . LEU . 15028 1 77 . VAL . 15028 1 78 . LEU . 15028 1 79 . LYS . 15028 1 80 . ASP . 15028 1 81 . GLY . 15028 1 82 . GLU . 15028 1 83 . VAL . 15028 1 84 . VAL . 15028 1 85 . GLU . 15028 1 86 . THR . 15028 1 87 . SER . 15028 1 88 . VAL . 15028 1 89 . GLY . 15028 1 90 . PHE . 15028 1 91 . LYS . 15028 1 92 . PRO . 15028 1 93 . LYS . 15028 1 94 . GLU . 15028 1 95 . ALA . 15028 1 96 . LEU . 15028 1 97 . GLN . 15028 1 98 . GLU . 15028 1 99 . LEU . 15028 1 100 . VAL . 15028 1 101 . ASN . 15028 1 102 . LYS . 15028 1 103 . HIS . 15028 1 104 . LEU . 15028 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 . MET 1 1 15028 1 . ALA 2 2 15028 1 . ILE 3 3 15028 1 . VAL 4 4 15028 1 . LYS 5 5 15028 1 . ALA 6 6 15028 1 . THR 7 7 15028 1 . ASP 8 8 15028 1 . GLN 9 9 15028 1 . SER 10 10 15028 1 . PHE 11 11 15028 1 . SER 12 12 15028 1 . ALA 13 13 15028 1 . GLU 14 14 15028 1 . THR 15 15 15028 1 . SER 16 16 15028 1 . GLU 17 17 15028 1 . GLY 18 18 15028 1 . VAL 19 19 15028 1 . VAL 20 20 15028 1 . LEU 21 21 15028 1 . ALA 22 22 15028 1 . ASP 23 23 15028 1 . PHE 24 24 15028 1 . TRP 25 25 15028 1 . ALA 26 26 15028 1 . PRO 27 27 15028 1 . TRP 28 28 15028 1 . CYS 29 29 15028 1 . GLY 30 30 15028 1 . PRO 31 31 15028 1 . SER 32 32 15028 1 . LYS 33 33 15028 1 . MET 34 34 15028 1 . ILE 35 35 15028 1 . ALA 36 36 15028 1 . PRO 37 37 15028 1 . VAL 38 38 15028 1 . LEU 39 39 15028 1 . GLU 40 40 15028 1 . GLU 41 41 15028 1 . LEU 42 42 15028 1 . ASP 43 43 15028 1 . GLN 44 44 15028 1 . GLU 45 45 15028 1 . MET 46 46 15028 1 . GLY 47 47 15028 1 . ASP 48 48 15028 1 . LYS 49 49 15028 1 . LEU 50 50 15028 1 . LYS 51 51 15028 1 . ILE 52 52 15028 1 . VAL 53 53 15028 1 . LYS 54 54 15028 1 . ILE 55 55 15028 1 . ASP 56 56 15028 1 . VAL 57 57 15028 1 . ASP 58 58 15028 1 . GLU 59 59 15028 1 . ASN 60 60 15028 1 . GLN 61 61 15028 1 . GLU 62 62 15028 1 . THR 63 63 15028 1 . ALA 64 64 15028 1 . GLY 65 65 15028 1 . LYS 66 66 15028 1 . TYR 67 67 15028 1 . GLY 68 68 15028 1 . VAL 69 69 15028 1 . MET 70 70 15028 1 . SER 71 71 15028 1 . ILE 72 72 15028 1 . PRO 73 73 15028 1 . THR 74 74 15028 1 . LEU 75 75 15028 1 . LEU 76 76 15028 1 . VAL 77 77 15028 1 . LEU 78 78 15028 1 . LYS 79 79 15028 1 . ASP 80 80 15028 1 . GLY 81 81 15028 1 . GLU 82 82 15028 1 . VAL 83 83 15028 1 . VAL 84 84 15028 1 . GLU 85 85 15028 1 . THR 86 86 15028 1 . SER 87 87 15028 1 . VAL 88 88 15028 1 . GLY 89 89 15028 1 . PHE 90 90 15028 1 . LYS 91 91 15028 1 . PRO 92 92 15028 1 . LYS 93 93 15028 1 . GLU 94 94 15028 1 . ALA 95 95 15028 1 . LEU 96 96 15028 1 . GLN 97 97 15028 1 . GLU 98 98 15028 1 . LEU 99 99 15028 1 . VAL 100 100 15028 1 . ASN 101 101 15028 1 . LYS 102 102 15028 1 . HIS 103 103 15028 1 . LEU 104 104 15028 1 stop_ save_ save_arsenate_reductase _Entity.Sf_category entity _Entity.Sf_framecode arsenate_reductase _Entity.Entry_ID 15028 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name arsenate_reductase _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 ; MENKIIYFLSTGNSARSQMA EGWAKQYLGDEWKVYSAGIE AHGLNPNAVKAMKEVGIDIS NQTSDIIDSDILNNADLVVT LSGDAADKCPMTPPHVKREH WGFDDPARAQGTEEEKWAFF QRVRDEIGNRLKEFAETGK ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation C10SC15AC82S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15531.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6075 . ArsC . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 2 no BMRB 6563 . arsenate_reductase . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 3 no PDB 1JL3 . "Crystal Structure Of B. Subtilis Arsc" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 4 no PDB 1Z2D . "Solution Structure Of Bacillus Subtilis Arsc In Reduced State" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 5 no PDB 1Z2E . "Solution Structure Of Bacillus Subtilis Arsc In Oxidized State" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 6 no PDB 2IPA . "Solution Structure Of Trx-Arsc Complex" . . . . . 100.00 139 100.00 100.00 2.40e-98 . . . . 15028 2 7 no DBJ BAA06970 . "ORF109 [Bacillus subtilis]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 8 no DBJ BAA12434 . "YqcM [Bacillus subtilis]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 9 no DBJ BAM58640 . "arsenate reductase [Bacillus subtilis BEST7003]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 10 no EMBL CAB14519 . "thioredoxin-coupled arsenate reductase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 11 no EMBL CEI57801 . "arsenate reductase ArsC [Bacillus subtilis]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 12 no EMBL CEJ78223 . "arsenate reductase ArsC [Bacillus sp.]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 13 no GB ADV93326 . "arsenate reductase [Bacillus subtilis BSn5]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 14 no GB AFH58698 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 57.55 80 98.75 98.75 1.73e-50 . . . . 15028 2 15 no GB AFH58699 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 58.99 82 98.78 98.78 2.20e-52 . . . . 15028 2 16 no GB AFH58701 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 57.55 80 98.75 98.75 1.73e-50 . . . . 15028 2 17 no GB AFH58702 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 56.12 78 98.72 98.72 1.38e-48 . . . . 15028 2 18 no REF NP_390455 . "arsenate reductase ArsC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 19 no REF WP_004398596 . "arsenate reductase [Bacillus subtilis]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 20 no REF WP_029318100 . "arsenate reductase [Bacillus subtilis]" . . . . . 100.00 139 97.12 97.84 5.84e-96 . . . . 15028 2 21 no REF YP_004204353 . "arsenate reductase [Bacillus subtilis BSn5]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 22 no REF YP_007534562 . "thioredoxin-coupled arsenate reductase ArsC [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 23 no SP P45947 . "RecName: Full=Protein ArsC; AltName: Full=Arsenate reductase; AltName: Full=Arsenical pump modifier; AltName: Full=Low molecula" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 15028 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15028 2 2 . GLU . 15028 2 3 . ASN . 15028 2 4 . LYS . 15028 2 5 . ILE . 15028 2 6 . ILE . 15028 2 7 . TYR . 15028 2 8 . PHE . 15028 2 9 . LEU . 15028 2 10 . SER . 15028 2 11 . THR . 15028 2 12 . GLY . 15028 2 13 . ASN . 15028 2 14 . SER . 15028 2 15 . ALA . 15028 2 16 . ARG . 15028 2 17 . SER . 15028 2 18 . GLN . 15028 2 19 . MET . 15028 2 20 . ALA . 15028 2 21 . GLU . 15028 2 22 . GLY . 15028 2 23 . TRP . 15028 2 24 . ALA . 15028 2 25 . LYS . 15028 2 26 . GLN . 15028 2 27 . TYR . 15028 2 28 . LEU . 15028 2 29 . GLY . 15028 2 30 . ASP . 15028 2 31 . GLU . 15028 2 32 . TRP . 15028 2 33 . LYS . 15028 2 34 . VAL . 15028 2 35 . TYR . 15028 2 36 . SER . 15028 2 37 . ALA . 15028 2 38 . GLY . 15028 2 39 . ILE . 15028 2 40 . GLU . 15028 2 41 . ALA . 15028 2 42 . HIS . 15028 2 43 . GLY . 15028 2 44 . LEU . 15028 2 45 . ASN . 15028 2 46 . PRO . 15028 2 47 . ASN . 15028 2 48 . ALA . 15028 2 49 . VAL . 15028 2 50 . LYS . 15028 2 51 . ALA . 15028 2 52 . MET . 15028 2 53 . LYS . 15028 2 54 . GLU . 15028 2 55 . VAL . 15028 2 56 . GLY . 15028 2 57 . ILE . 15028 2 58 . ASP . 15028 2 59 . ILE . 15028 2 60 . SER . 15028 2 61 . ASN . 15028 2 62 . GLN . 15028 2 63 . THR . 15028 2 64 . SER . 15028 2 65 . ASP . 15028 2 66 . ILE . 15028 2 67 . ILE . 15028 2 68 . ASP . 15028 2 69 . SER . 15028 2 70 . ASP . 15028 2 71 . ILE . 15028 2 72 . LEU . 15028 2 73 . ASN . 15028 2 74 . ASN . 15028 2 75 . ALA . 15028 2 76 . ASP . 15028 2 77 . LEU . 15028 2 78 . VAL . 15028 2 79 . VAL . 15028 2 80 . THR . 15028 2 81 . LEU . 15028 2 82 . SER . 15028 2 83 . GLY . 15028 2 84 . ASP . 15028 2 85 . ALA . 15028 2 86 . ALA . 15028 2 87 . ASP . 15028 2 88 . LYS . 15028 2 89 . CYS . 15028 2 90 . PRO . 15028 2 91 . MET . 15028 2 92 . THR . 15028 2 93 . PRO . 15028 2 94 . PRO . 15028 2 95 . HIS . 15028 2 96 . VAL . 15028 2 97 . LYS . 15028 2 98 . ARG . 15028 2 99 . GLU . 15028 2 100 . HIS . 15028 2 101 . TRP . 15028 2 102 . GLY . 15028 2 103 . PHE . 15028 2 104 . ASP . 15028 2 105 . ASP . 15028 2 106 . PRO . 15028 2 107 . ALA . 15028 2 108 . ARG . 15028 2 109 . ALA . 15028 2 110 . GLN . 15028 2 111 . GLY . 15028 2 112 . THR . 15028 2 113 . GLU . 15028 2 114 . GLU . 15028 2 115 . GLU . 15028 2 116 . LYS . 15028 2 117 . TRP . 15028 2 118 . ALA . 15028 2 119 . PHE . 15028 2 120 . PHE . 15028 2 121 . GLN . 15028 2 122 . ARG . 15028 2 123 . VAL . 15028 2 124 . ARG . 15028 2 125 . ASP . 15028 2 126 . GLU . 15028 2 127 . ILE . 15028 2 128 . GLY . 15028 2 129 . ASN . 15028 2 130 . ARG . 15028 2 131 . LEU . 15028 2 132 . LYS . 15028 2 133 . GLU . 15028 2 134 . PHE . 15028 2 135 . ALA . 15028 2 136 . GLU . 15028 2 137 . THR . 15028 2 138 . GLY . 15028 2 139 . LYS . 15028 2 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 . MET 1 1 15028 2 . GLU 2 2 15028 2 . ASN 3 3 15028 2 . LYS 4 4 15028 2 . ILE 5 5 15028 2 . ILE 6 6 15028 2 . TYR 7 7 15028 2 . PHE 8 8 15028 2 . LEU 9 9 15028 2 . SER 10 10 15028 2 . THR 11 11 15028 2 . GLY 12 12 15028 2 . ASN 13 13 15028 2 . SER 14 14 15028 2 . ALA 15 15 15028 2 . ARG 16 16 15028 2 . SER 17 17 15028 2 . GLN 18 18 15028 2 . MET 19 19 15028 2 . ALA 20 20 15028 2 . GLU 21 21 15028 2 . GLY 22 22 15028 2 . TRP 23 23 15028 2 . ALA 24 24 15028 2 . LYS 25 25 15028 2 . GLN 26 26 15028 2 . TYR 27 27 15028 2 . LEU 28 28 15028 2 . GLY 29 29 15028 2 . ASP 30 30 15028 2 . GLU 31 31 15028 2 . TRP 32 32 15028 2 . LYS 33 33 15028 2 . VAL 34 34 15028 2 . TYR 35 35 15028 2 . SER 36 36 15028 2 . ALA 37 37 15028 2 . GLY 38 38 15028 2 . ILE 39 39 15028 2 . GLU 40 40 15028 2 . ALA 41 41 15028 2 . HIS 42 42 15028 2 . GLY 43 43 15028 2 . LEU 44 44 15028 2 . ASN 45 45 15028 2 . PRO 46 46 15028 2 . ASN 47 47 15028 2 . ALA 48 48 15028 2 . VAL 49 49 15028 2 . LYS 50 50 15028 2 . ALA 51 51 15028 2 . MET 52 52 15028 2 . LYS 53 53 15028 2 . GLU 54 54 15028 2 . VAL 55 55 15028 2 . GLY 56 56 15028 2 . ILE 57 57 15028 2 . ASP 58 58 15028 2 . ILE 59 59 15028 2 . SER 60 60 15028 2 . ASN 61 61 15028 2 . GLN 62 62 15028 2 . THR 63 63 15028 2 . SER 64 64 15028 2 . ASP 65 65 15028 2 . ILE 66 66 15028 2 . ILE 67 67 15028 2 . ASP 68 68 15028 2 . SER 69 69 15028 2 . ASP 70 70 15028 2 . ILE 71 71 15028 2 . LEU 72 72 15028 2 . ASN 73 73 15028 2 . ASN 74 74 15028 2 . ALA 75 75 15028 2 . ASP 76 76 15028 2 . LEU 77 77 15028 2 . VAL 78 78 15028 2 . VAL 79 79 15028 2 . THR 80 80 15028 2 . LEU 81 81 15028 2 . SER 82 82 15028 2 . GLY 83 83 15028 2 . ASP 84 84 15028 2 . ALA 85 85 15028 2 . ALA 86 86 15028 2 . ASP 87 87 15028 2 . LYS 88 88 15028 2 . CYS 89 89 15028 2 . PRO 90 90 15028 2 . MET 91 91 15028 2 . THR 92 92 15028 2 . PRO 93 93 15028 2 . PRO 94 94 15028 2 . HIS 95 95 15028 2 . VAL 96 96 15028 2 . LYS 97 97 15028 2 . ARG 98 98 15028 2 . GLU 99 99 15028 2 . HIS 100 100 15028 2 . TRP 101 101 15028 2 . GLY 102 102 15028 2 . PHE 103 103 15028 2 . ASP 104 104 15028 2 . ASP 105 105 15028 2 . PRO 106 106 15028 2 . ALA 107 107 15028 2 . ARG 108 108 15028 2 . ALA 109 109 15028 2 . GLN 110 110 15028 2 . GLY 111 111 15028 2 . THR 112 112 15028 2 . GLU 113 113 15028 2 . GLU 114 114 15028 2 . GLU 115 115 15028 2 . LYS 116 116 15028 2 . TRP 117 117 15028 2 . ALA 118 118 15028 2 . PHE 119 119 15028 2 . PHE 120 120 15028 2 . GLN 121 121 15028 2 . ARG 122 122 15028 2 . VAL 123 123 15028 2 . ARG 124 124 15028 2 . ASP 125 125 15028 2 . GLU 126 126 15028 2 . ILE 127 127 15028 2 . GLY 128 128 15028 2 . ASN 129 129 15028 2 . ARG 130 130 15028 2 . LEU 131 131 15028 2 . LYS 132 132 15028 2 . GLU 133 133 15028 2 . PHE 134 134 15028 2 . ALA 135 135 15028 2 . GLU 136 136 15028 2 . THR 137 137 15028 2 . GLY 138 138 15028 2 . LYS 139 139 15028 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15028 _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 $thioredoxin . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15028 1 2 2 $arsenate_reductase . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15028 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 15028 _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 $thioredoxin . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . 'pET21a & pET28a' . . . ; Trx was recombinanted in pET21a ArsC was recombinanted in pET28a ; . . 15028 1 2 2 $arsenate_reductase . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . 'pET21a & pET28a' . . . ; Trx was recombinanted in pET21a ArsC was recombinanted in pET28a ; . . 15028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15028 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-Trx forms complex with unlabeled ArsC' _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 'Trx-ArsC complex' '[U-13C; U-15N]' . . 1 $thioredoxin . . . 1 2 mM . . . . 15028 1 2 'Trx-ArsC complex' . . . 2 $arsenate_reductase . . . 1 2 mM . . . . 15028 1 3 Tris-HCl . . . . . . . 20 . . mM . . . . 15028 1 4 Na2SO4 . . . . . . . 20 . . mM . . . . 15028 1 5 KCL . . . . . . . 40 . . mM . . . . 15028 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15028 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'unlabeled Trx forms complex with 13C,15N-ArsC' _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 'Trx-ArsC complex' . . . 1 $thioredoxin . . . . . mM 1 2 . . 15028 2 2 'Trx-ArsC complex' '[U-13C; U-15N]' . . 2 $arsenate_reductase . . . . . mM 1 2 . . 15028 2 3 Tris-HCl . . . . . . . 20 . . mM . . . . 15028 2 4 Na2SO4 . . . . . . . 20 . . mM . . . . 15028 2 5 KCL . . . . . . . 40 . . mM . . . . 15028 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15028 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 . M 15028 1 pH 6.85 . pH 15028 1 pressure 1 . atm 15028 1 temperature 303 . K 15028 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15028 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'B Johnson, One Moon Scientific' . . 15028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15028 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_1 _NMR_spectrometer.Entry_ID 15028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_nmr_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_2 _NMR_spectrometer.Entry_ID 15028 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15028 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15028 1 2 spectrometer_2 Bruker Avance . 800 . . . 15028 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15028 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15028 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15028 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15028 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15028 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15028 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 15028 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' 1 $sample_1 . 15028 1 3 '3D CBCA(CO)NH' 1 $sample_1 . 15028 1 5 '3D HCCH-COSY' 1 $sample_1 . 15028 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 2 2 ALA HA H 1 4.166 0.03 . 1 . . . . 2 ALA HA . 15028 1 2 . 1 1 2 2 ALA HB1 H 1 1.470 0.03 . 1 . . . . 2 ALA HB . 15028 1 3 . 1 1 2 2 ALA HB2 H 1 1.470 0.03 . 1 . . . . 2 ALA HB . 15028 1 4 . 1 1 2 2 ALA HB3 H 1 1.470 0.03 . 1 . . . . 2 ALA HB . 15028 1 5 . 1 1 2 2 ALA CA C 13 51.581 0.30 . 1 . . . . 2 ALA CA . 15028 1 6 . 1 1 2 2 ALA CB C 13 19.831 0.30 . 1 . . . . 2 ALA CB . 15028 1 7 . 1 1 3 3 ILE H H 1 8.617 0.03 . 1 . . . . 3 ILE HN . 15028 1 8 . 1 1 3 3 ILE HA H 1 4.710 0.03 . 1 . . . . 3 ILE HA . 15028 1 9 . 1 1 3 3 ILE HB H 1 1.627 0.03 . 1 . . . . 3 ILE HB . 15028 1 10 . 1 1 3 3 ILE HG12 H 1 0.764 0.03 . 1 . . . . 3 ILE HG11 . 15028 1 11 . 1 1 3 3 ILE HG13 H 1 1.542 0.03 . 1 . . . . 3 ILE HG12 . 15028 1 12 . 1 1 3 3 ILE HG21 H 1 0.654 0.03 . 1 . . . . 3 ILE HG2 . 15028 1 13 . 1 1 3 3 ILE HG22 H 1 0.654 0.03 . 1 . . . . 3 ILE HG2 . 15028 1 14 . 1 1 3 3 ILE HG23 H 1 0.654 0.03 . 1 . . . . 3 ILE HG2 . 15028 1 15 . 1 1 3 3 ILE HD11 H 1 0.725 0.03 . 1 . . . . 3 ILE HD1 . 15028 1 16 . 1 1 3 3 ILE HD12 H 1 0.725 0.03 . 1 . . . . 3 ILE HD1 . 15028 1 17 . 1 1 3 3 ILE HD13 H 1 0.725 0.03 . 1 . . . . 3 ILE HD1 . 15028 1 18 . 1 1 3 3 ILE CA C 13 61.081 0.30 . 1 . . . . 3 ILE CA . 15028 1 19 . 1 1 3 3 ILE CB C 13 38.581 0.30 . 1 . . . . 3 ILE CB . 15028 1 20 . 1 1 3 3 ILE CG1 C 13 28.206 0.30 . 1 . . . . 3 ILE CG1 . 15028 1 21 . 1 1 3 3 ILE CG2 C 13 17.455 0.30 . 1 . . . . 3 ILE CG2 . 15028 1 22 . 1 1 3 3 ILE CD1 C 13 13.705 0.30 . 1 . . . . 3 ILE CD1 . 15028 1 23 . 1 1 3 3 ILE N N 15 122.516 0.30 . 1 . . . . 3 ILE N . 15028 1 24 . 1 1 4 4 VAL H H 1 9.008 0.03 . 1 . . . . 4 VAL HN . 15028 1 25 . 1 1 4 4 VAL HA H 1 4.396 0.03 . 1 . . . . 4 VAL HA . 15028 1 26 . 1 1 4 4 VAL HB H 1 2.018 0.03 . 1 . . . . 4 VAL HB . 15028 1 27 . 1 1 4 4 VAL HG11 H 1 0.877 0.03 . 2 . . . . 4 VAL HG1 . 15028 1 28 . 1 1 4 4 VAL HG12 H 1 0.877 0.03 . 2 . . . . 4 VAL HG1 . 15028 1 29 . 1 1 4 4 VAL HG13 H 1 0.877 0.03 . 2 . . . . 4 VAL HG1 . 15028 1 30 . 1 1 4 4 VAL HG21 H 1 0.851 0.03 . 2 . . . . 4 VAL HG2 . 15028 1 31 . 1 1 4 4 VAL HG22 H 1 0.851 0.03 . 2 . . . . 4 VAL HG2 . 15028 1 32 . 1 1 4 4 VAL HG23 H 1 0.851 0.03 . 2 . . . . 4 VAL HG2 . 15028 1 33 . 1 1 4 4 VAL CA C 13 60.581 0.30 . 1 . . . . 4 VAL CA . 15028 1 34 . 1 1 4 4 VAL CB C 13 35.581 0.30 . 1 . . . . 4 VAL CB . 15028 1 35 . 1 1 4 4 VAL CG1 C 13 20.831 0.30 . 1 . . . . 4 VAL CG1 . 15028 1 36 . 1 1 4 4 VAL CG2 C 13 20.581 0.30 . 1 . . . . 4 VAL CG2 . 15028 1 37 . 1 1 4 4 VAL N N 15 127.789 0.30 . 1 . . . . 4 VAL N . 15028 1 38 . 1 1 5 5 LYS H H 1 8.553 0.03 . 1 . . . . 5 LYS HN . 15028 1 39 . 1 1 5 5 LYS HA H 1 4.846 0.03 . 1 . . . . 5 LYS HA . 15028 1 40 . 1 1 5 5 LYS HB2 H 1 1.829 0.03 . 2 . . . . 5 LYS HB2 . 15028 1 41 . 1 1 5 5 LYS HG2 H 1 1.317 0.03 . 2 . . . . 5 LYS HG1 . 15028 1 42 . 1 1 5 5 LYS HG3 H 1 1.591 0.03 . 2 . . . . 5 LYS HG2 . 15028 1 43 . 1 1 5 5 LYS HD2 H 1 1.786 0.03 . 2 . . . . 5 LYS HD2 . 15028 1 44 . 1 1 5 5 LYS HE2 H 1 3.031 0.03 . 2 . . . . 5 LYS HE1 . 15028 1 45 . 1 1 5 5 LYS HE3 H 1 3.071 0.03 . 2 . . . . 5 LYS HE2 . 15028 1 46 . 1 1 5 5 LYS CA C 13 56.081 0.30 . 1 . . . . 5 LYS CA . 15028 1 47 . 1 1 5 5 LYS CB C 13 33.206 0.30 . 1 . . . . 5 LYS CB . 15028 1 48 . 1 1 5 5 LYS CG C 13 25.331 0.30 . 1 . . . . 5 LYS CG . 15028 1 49 . 1 1 5 5 LYS CD C 13 29.956 0.30 . 1 . . . . 5 LYS CD . 15028 1 50 . 1 1 5 5 LYS CE C 13 42.206 0.30 . 1 . . . . 5 LYS CE . 15028 1 51 . 1 1 5 5 LYS N N 15 125.890 0.30 . 1 . . . . 5 LYS N . 15028 1 52 . 1 1 6 6 ALA H H 1 8.899 0.03 . 1 . . . . 6 ALA HN . 15028 1 53 . 1 1 6 6 ALA HA H 1 4.749 0.03 . 1 . . . . 6 ALA HA . 15028 1 54 . 1 1 6 6 ALA HB1 H 1 1.246 0.03 . 1 . . . . 6 ALA HB . 15028 1 55 . 1 1 6 6 ALA HB2 H 1 1.246 0.03 . 1 . . . . 6 ALA HB . 15028 1 56 . 1 1 6 6 ALA HB3 H 1 1.246 0.03 . 1 . . . . 6 ALA HB . 15028 1 57 . 1 1 6 6 ALA CA C 13 50.221 0.30 . 1 . . . . 6 ALA CA . 15028 1 58 . 1 1 6 6 ALA CB C 13 23.206 0.30 . 1 . . . . 6 ALA CB . 15028 1 59 . 1 1 6 6 ALA N N 15 127.156 0.30 . 1 . . . . 6 ALA N . 15028 1 60 . 1 1 7 7 THR H H 1 7.961 0.03 . 1 . . . . 7 THR HN . 15028 1 61 . 1 1 7 7 THR HA H 1 4.759 0.03 . 1 . . . . 7 THR HA . 15028 1 62 . 1 1 7 7 THR HB H 1 4.801 0.03 . 1 . . . . 7 THR HB . 15028 1 63 . 1 1 7 7 THR HG21 H 1 1.259 0.03 . 1 . . . . 7 THR HG2 . 15028 1 64 . 1 1 7 7 THR HG22 H 1 1.259 0.03 . 1 . . . . 7 THR HG2 . 15028 1 65 . 1 1 7 7 THR HG23 H 1 1.259 0.03 . 1 . . . . 7 THR HG2 . 15028 1 66 . 1 1 7 7 THR CA C 13 59.096 0.30 . 1 . . . . 7 THR CA . 15028 1 67 . 1 1 7 7 THR CB C 13 73.832 0.30 . 1 . . . . 7 THR CB . 15028 1 68 . 1 1 7 7 THR CG2 C 13 21.706 0.30 . 1 . . . . 7 THR CG2 . 15028 1 69 . 1 1 7 7 THR N N 15 107.855 0.30 . 1 . . . . 7 THR N . 15028 1 70 . 1 1 8 8 ASP H H 1 8.788 0.03 . 1 . . . . 8 ASP HN . 15028 1 71 . 1 1 8 8 ASP HA H 1 4.441 0.03 . 1 . . . . 8 ASP HA . 15028 1 72 . 1 1 8 8 ASP HB2 H 1 2.756 0.03 . 2 . . . . 8 ASP HB1 . 15028 1 73 . 1 1 8 8 ASP HB3 H 1 2.786 0.03 . 2 . . . . 8 ASP HB2 . 15028 1 74 . 1 1 8 8 ASP CA C 13 57.831 0.30 . 1 . . . . 8 ASP CA . 15028 1 75 . 1 1 8 8 ASP CB C 13 41.456 0.30 . 1 . . . . 8 ASP CB . 15028 1 76 . 1 1 8 8 ASP N N 15 119.984 0.30 . 1 . . . . 8 ASP N . 15028 1 77 . 1 1 9 9 GLN H H 1 8.086 0.03 . 1 . . . . 9 GLN HN . 15028 1 78 . 1 1 9 9 GLN HA H 1 4.269 0.03 . 1 . . . . 9 GLN HA . 15028 1 79 . 1 1 9 9 GLN HB2 H 1 2.095 0.03 . 2 . . . . 9 GLN HB2 . 15028 1 80 . 1 1 9 9 GLN HG2 H 1 2.489 0.03 . 2 . . . . 9 GLN HG2 . 15028 1 81 . 1 1 9 9 GLN HE21 H 1 7.630 0.03 . 2 . . . . 9 GLN HE21 . 15028 1 82 . 1 1 9 9 GLN HE22 H 1 6.950 0.03 . 2 . . . . 9 GLN HE22 . 15028 1 83 . 1 1 9 9 GLN CA C 13 58.456 0.30 . 1 . . . . 9 GLN CA . 15028 1 84 . 1 1 9 9 GLN CB C 13 28.706 0.30 . 1 . . . . 9 GLN CB . 15028 1 85 . 1 1 9 9 GLN CG C 13 34.331 0.30 . 1 . . . . 9 GLN CG . 15028 1 86 . 1 1 9 9 GLN N N 15 115.976 0.30 . 1 . . . . 9 GLN N . 15028 1 87 . 1 1 9 9 GLN NE2 N 15 112.707 0.30 . 1 . . . . 9 GLN NE2 . 15028 1 88 . 1 1 10 10 SER H H 1 7.850 0.03 . 1 . . . . 10 SER HN . 15028 1 89 . 1 1 10 10 SER HA H 1 4.811 0.03 . 1 . . . . 10 SER HA . 15028 1 90 . 1 1 10 10 SER HB2 H 1 4.394 0.03 . 2 . . . . 10 SER HB1 . 15028 1 91 . 1 1 10 10 SER HB3 H 1 3.767 0.03 . 2 . . . . 10 SER HB2 . 15028 1 92 . 1 1 10 10 SER CA C 13 58.331 0.30 . 1 . . . . 10 SER CA . 15028 1 93 . 1 1 10 10 SER CB C 13 66.832 0.30 . 1 . . . . 10 SER CB . 15028 1 94 . 1 1 10 10 SER N N 15 114.078 0.30 . 1 . . . . 10 SER N . 15028 1 95 . 1 1 11 11 PHE H H 1 8.506 0.03 . 1 . . . . 11 PHE HN . 15028 1 96 . 1 1 11 11 PHE HA H 1 3.646 0.03 . 1 . . . . 11 PHE HA . 15028 1 97 . 1 1 11 11 PHE HB2 H 1 3.176 0.03 . 2 . . . . 11 PHE HB1 . 15028 1 98 . 1 1 11 11 PHE HB3 H 1 3.074 0.03 . 2 . . . . 11 PHE HB2 . 15028 1 99 . 1 1 11 11 PHE HD1 H 1 6.865 0.03 . 3 . . . . 11 PHE HD1 . 15028 1 100 . 1 1 11 11 PHE CA C 13 64.457 0.30 . 1 . . . . 11 PHE CA . 15028 1 101 . 1 1 11 11 PHE CB C 13 39.206 0.30 . 1 . . . . 11 PHE CB . 15028 1 102 . 1 1 11 11 PHE N N 15 123.992 0.30 . 1 . . . . 11 PHE N . 15028 1 103 . 1 1 12 12 SER H H 1 9.380 0.03 . 1 . . . . 12 SER HN . 15028 1 104 . 1 1 12 12 SER HA H 1 3.986 0.03 . 1 . . . . 12 SER HA . 15028 1 105 . 1 1 12 12 SER HB2 H 1 3.986 0.03 . 2 . . . . 12 SER HB2 . 15028 1 106 . 1 1 12 12 SER CA C 13 62.331 0.30 . 1 . . . . 12 SER CA . 15028 1 107 . 1 1 12 12 SER CB C 13 62.331 0.30 . 1 . . . . 12 SER CB . 15028 1 108 . 1 1 12 12 SER N N 15 115.871 0.30 . 1 . . . . 12 SER N . 15028 1 109 . 1 1 13 13 ALA H H 1 8.208 0.03 . 1 . . . . 13 ALA HN . 15028 1 110 . 1 1 13 13 ALA HA H 1 4.151 0.03 . 1 . . . . 13 ALA HA . 15028 1 111 . 1 1 13 13 ALA HB1 H 1 1.476 0.03 . 1 . . . . 13 ALA HB . 15028 1 112 . 1 1 13 13 ALA HB2 H 1 1.476 0.03 . 1 . . . . 13 ALA HB . 15028 1 113 . 1 1 13 13 ALA HB3 H 1 1.476 0.03 . 1 . . . . 13 ALA HB . 15028 1 114 . 1 1 13 13 ALA CA C 13 54.856 0.30 . 1 . . . . 13 ALA CA . 15028 1 115 . 1 1 13 13 ALA CB C 13 18.330 0.30 . 1 . . . . 13 ALA CB . 15028 1 116 . 1 1 13 13 ALA N N 15 124.308 0.30 . 1 . . . . 13 ALA N . 15028 1 117 . 1 1 14 14 GLU H H 1 8.208 0.03 . 1 . . . . 14 GLU HN . 15028 1 118 . 1 1 14 14 GLU HA H 1 4.269 0.03 . 1 . . . . 14 GLU HA . 15028 1 119 . 1 1 14 14 GLU HB2 H 1 1.678 0.03 . 2 . . . . 14 GLU HB1 . 15028 1 120 . 1 1 14 14 GLU HB3 H 1 1.862 0.03 . 2 . . . . 14 GLU HB2 . 15028 1 121 . 1 1 14 14 GLU HG2 H 1 2.091 0.03 . 2 . . . . 14 GLU HG1 . 15028 1 122 . 1 1 14 14 GLU HG3 H 1 2.485 0.03 . 2 . . . . 14 GLU HG2 . 15028 1 123 . 1 1 14 14 GLU CA C 13 57.206 0.30 . 1 . . . . 14 GLU CA . 15028 1 124 . 1 1 14 14 GLU CB C 13 30.456 0.30 . 1 . . . . 14 GLU CB . 15028 1 125 . 1 1 14 14 GLU CG C 13 34.706 0.30 . 1 . . . . 14 GLU CG . 15028 1 126 . 1 1 14 14 GLU N N 15 114.184 0.30 . 1 . . . . 14 GLU N . 15028 1 127 . 1 1 15 15 THR H H 1 7.354 0.03 . 1 . . . . 15 THR HN . 15028 1 128 . 1 1 15 15 THR HA H 1 4.303 0.03 . 1 . . . . 15 THR HA . 15028 1 129 . 1 1 15 15 THR HB H 1 4.129 0.03 . 1 . . . . 15 THR HB . 15028 1 130 . 1 1 15 15 THR HG21 H 1 0.176 0.03 . 1 . . . . 15 THR HG2 . 15028 1 131 . 1 1 15 15 THR HG22 H 1 0.176 0.03 . 1 . . . . 15 THR HG2 . 15028 1 132 . 1 1 15 15 THR HG23 H 1 0.176 0.03 . 1 . . . . 15 THR HG2 . 15028 1 133 . 1 1 15 15 THR CA C 13 61.331 0.30 . 1 . . . . 15 THR CA . 15028 1 134 . 1 1 15 15 THR CB C 13 69.707 0.30 . 1 . . . . 15 THR CB . 15028 1 135 . 1 1 15 15 THR CG2 C 13 19.581 0.30 . 1 . . . . 15 THR CG2 . 15028 1 136 . 1 1 15 15 THR N N 15 131.269 0.30 . 1 . . . . 15 THR N . 15028 1 137 . 1 1 16 16 SER H H 1 7.142 0.03 . 1 . . . . 16 SER HN . 15028 1 138 . 1 1 16 16 SER HA H 1 4.045 0.03 . 1 . . . . 16 SER HA . 15028 1 139 . 1 1 16 16 SER HB2 H 1 4.037 0.03 . 2 . . . . 16 SER HB1 . 15028 1 140 . 1 1 16 16 SER HB3 H 1 3.942 0.03 . 2 . . . . 16 SER HB2 . 15028 1 141 . 1 1 16 16 SER CA C 13 61.331 0.30 . 1 . . . . 16 SER CA . 15028 1 142 . 1 1 16 16 SER CB C 13 64.206 0.30 . 1 . . . . 16 SER CB . 15028 1 143 . 1 1 16 16 SER N N 15 115.660 0.30 . 1 . . . . 16 SER N . 15028 1 144 . 1 1 17 17 GLU H H 1 7.584 0.03 . 1 . . . . 17 GLU HN . 15028 1 145 . 1 1 17 17 GLU HA H 1 4.766 0.03 . 1 . . . . 17 GLU HA . 15028 1 146 . 1 1 17 17 GLU HB2 H 1 1.767 0.03 . 2 . . . . 17 GLU HB1 . 15028 1 147 . 1 1 17 17 GLU HB3 H 1 1.917 0.03 . 2 . . . . 17 GLU HB2 . 15028 1 148 . 1 1 17 17 GLU HG2 H 1 2.127 0.03 . 2 . . . . 17 GLU HG2 . 15028 1 149 . 1 1 17 17 GLU CA C 13 54.999 0.30 . 1 . . . . 17 GLU CA . 15028 1 150 . 1 1 17 17 GLU CB C 13 33.581 0.30 . 1 . . . . 17 GLU CB . 15028 1 151 . 1 1 17 17 GLU CG C 13 36.206 0.30 . 1 . . . . 17 GLU CG . 15028 1 152 . 1 1 17 17 GLU N N 15 117.664 0.30 . 1 . . . . 17 GLU N . 15028 1 153 . 1 1 18 18 GLY H H 1 8.763 0.03 . 1 . . . . 18 GLY HN . 15028 1 154 . 1 1 18 18 GLY HA2 H 1 3.905 0.03 . 2 . . . . 18 GLY HA1 . 15028 1 155 . 1 1 18 18 GLY HA3 H 1 4.029 0.03 . 2 . . . . 18 GLY HA2 . 15028 1 156 . 1 1 18 18 GLY CA C 13 44.956 0.30 . 1 . . . . 18 GLY CA . 15028 1 157 . 1 1 18 18 GLY N N 15 110.070 0.30 . 1 . . . . 18 GLY N . 15028 1 158 . 1 1 19 19 VAL H H 1 8.467 0.03 . 1 . . . . 19 VAL HN . 15028 1 159 . 1 1 19 19 VAL HA H 1 5.007 0.03 . 1 . . . . 19 VAL HA . 15028 1 160 . 1 1 19 19 VAL HB H 1 2.060 0.03 . 1 . . . . 19 VAL HB . 15028 1 161 . 1 1 19 19 VAL HG11 H 1 1.036 0.03 . 2 . . . . 19 VAL HG1 . 15028 1 162 . 1 1 19 19 VAL HG12 H 1 1.036 0.03 . 2 . . . . 19 VAL HG1 . 15028 1 163 . 1 1 19 19 VAL HG13 H 1 1.036 0.03 . 2 . . . . 19 VAL HG1 . 15028 1 164 . 1 1 19 19 VAL HG21 H 1 0.800 0.03 . 2 . . . . 19 VAL HG2 . 15028 1 165 . 1 1 19 19 VAL HG22 H 1 0.800 0.03 . 2 . . . . 19 VAL HG2 . 15028 1 166 . 1 1 19 19 VAL HG23 H 1 0.800 0.03 . 2 . . . . 19 VAL HG2 . 15028 1 167 . 1 1 19 19 VAL CA C 13 62.456 0.30 . 1 . . . . 19 VAL CA . 15028 1 168 . 1 1 19 19 VAL CB C 13 31.581 0.30 . 1 . . . . 19 VAL CB . 15028 1 169 . 1 1 19 19 VAL CG1 C 13 22.331 0.30 . 1 . . . . 19 VAL CG1 . 15028 1 170 . 1 1 19 19 VAL CG2 C 13 21.081 0.30 . 1 . . . . 19 VAL CG2 . 15028 1 171 . 1 1 19 19 VAL N N 15 123.359 0.30 . 1 . . . . 19 VAL N . 15028 1 172 . 1 1 20 20 VAL H H 1 9.136 0.03 . 1 . . . . 20 VAL HN . 15028 1 173 . 1 1 20 20 VAL HA H 1 5.137 0.03 . 1 . . . . 20 VAL HA . 15028 1 174 . 1 1 20 20 VAL HB H 1 1.796 0.03 . 1 . . . . 20 VAL HB . 15028 1 175 . 1 1 20 20 VAL HG11 H 1 0.669 0.03 . 2 . . . . 20 VAL HG1 . 15028 1 176 . 1 1 20 20 VAL HG12 H 1 0.669 0.03 . 2 . . . . 20 VAL HG1 . 15028 1 177 . 1 1 20 20 VAL HG13 H 1 0.669 0.03 . 2 . . . . 20 VAL HG1 . 15028 1 178 . 1 1 20 20 VAL HG21 H 1 0.781 0.03 . 2 . . . . 20 VAL HG2 . 15028 1 179 . 1 1 20 20 VAL HG22 H 1 0.781 0.03 . 2 . . . . 20 VAL HG2 . 15028 1 180 . 1 1 20 20 VAL HG23 H 1 0.781 0.03 . 2 . . . . 20 VAL HG2 . 15028 1 181 . 1 1 20 20 VAL CA C 13 59.331 0.30 . 1 . . . . 20 VAL CA . 15028 1 182 . 1 1 20 20 VAL CB C 13 36.331 0.30 . 1 . . . . 20 VAL CB . 15028 1 183 . 1 1 20 20 VAL CG1 C 13 21.831 0.30 . 1 . . . . 20 VAL CG1 . 15028 1 184 . 1 1 20 20 VAL CG2 C 13 22.081 0.30 . 1 . . . . 20 VAL CG2 . 15028 1 185 . 1 1 20 20 VAL N N 15 129.371 0.30 . 1 . . . . 20 VAL N . 15028 1 186 . 1 1 21 21 LEU H H 1 8.895 0.03 . 1 . . . . 21 LEU HN . 15028 1 187 . 1 1 21 21 LEU HA H 1 5.333 0.03 . 1 . . . . 21 LEU HA . 15028 1 188 . 1 1 21 21 LEU HB2 H 1 1.165 0.03 . 2 . . . . 21 LEU HB1 . 15028 1 189 . 1 1 21 21 LEU HB3 H 1 1.890 0.03 . 2 . . . . 21 LEU HB2 . 15028 1 190 . 1 1 21 21 LEU HG H 1 1.341 0.03 . 1 . . . . 21 LEU HG . 15028 1 191 . 1 1 21 21 LEU HD11 H 1 0.754 0.03 . 2 . . . . 21 LEU HD1 . 15028 1 192 . 1 1 21 21 LEU HD12 H 1 0.754 0.03 . 2 . . . . 21 LEU HD1 . 15028 1 193 . 1 1 21 21 LEU HD13 H 1 0.754 0.03 . 2 . . . . 21 LEU HD1 . 15028 1 194 . 1 1 21 21 LEU HD21 H 1 0.720 0.03 . 2 . . . . 21 LEU HD2 . 15028 1 195 . 1 1 21 21 LEU HD22 H 1 0.720 0.03 . 2 . . . . 21 LEU HD2 . 15028 1 196 . 1 1 21 21 LEU HD23 H 1 0.720 0.03 . 2 . . . . 21 LEU HD2 . 15028 1 197 . 1 1 21 21 LEU CA C 13 52.706 0.30 . 1 . . . . 21 LEU CA . 15028 1 198 . 1 1 21 21 LEU CB C 13 45.581 0.30 . 1 . . . . 21 LEU CB . 15028 1 199 . 1 1 21 21 LEU CG C 13 26.956 0.30 . 1 . . . . 21 LEU CG . 15028 1 200 . 1 1 21 21 LEU CD1 C 13 24.581 0.30 . 1 . . . . 21 LEU CD1 . 15028 1 201 . 1 1 21 21 LEU CD2 C 13 27.081 0.30 . 1 . . . . 21 LEU CD2 . 15028 1 202 . 1 1 21 21 LEU N N 15 127.789 0.30 . 1 . . . . 21 LEU N . 15028 1 203 . 1 1 22 22 ALA H H 1 9.786 0.03 . 1 . . . . 22 ALA HN . 15028 1 204 . 1 1 22 22 ALA HA H 1 5.348 0.03 . 1 . . . . 22 ALA HA . 15028 1 205 . 1 1 22 22 ALA HB1 H 1 1.166 0.03 . 1 . . . . 22 ALA HB . 15028 1 206 . 1 1 22 22 ALA HB2 H 1 1.166 0.03 . 1 . . . . 22 ALA HB . 15028 1 207 . 1 1 22 22 ALA HB3 H 1 1.166 0.03 . 1 . . . . 22 ALA HB . 15028 1 208 . 1 1 22 22 ALA CA C 13 49.706 0.30 . 1 . . . . 22 ALA CA . 15028 1 209 . 1 1 22 22 ALA CB C 13 21.081 0.30 . 1 . . . . 22 ALA CB . 15028 1 210 . 1 1 22 22 ALA N N 15 129.265 0.30 . 1 . . . . 22 ALA N . 15028 1 211 . 1 1 23 23 ASP H H 1 9.160 0.03 . 1 . . . . 23 ASP HN . 15028 1 212 . 1 1 23 23 ASP HA H 1 5.168 0.03 . 1 . . . . 23 ASP HA . 15028 1 213 . 1 1 23 23 ASP HB2 H 1 2.180 0.03 . 2 . . . . 23 ASP HB1 . 15028 1 214 . 1 1 23 23 ASP HB3 H 1 2.769 0.03 . 2 . . . . 23 ASP HB2 . 15028 1 215 . 1 1 23 23 ASP CA C 13 52.081 0.30 . 1 . . . . 23 ASP CA . 15028 1 216 . 1 1 23 23 ASP CB C 13 39.956 0.30 . 1 . . . . 23 ASP CB . 15028 1 217 . 1 1 23 23 ASP N N 15 120.722 0.30 . 1 . . . . 23 ASP N . 15028 1 218 . 1 1 24 24 PHE H H 1 9.255 0.03 . 1 . . . . 24 PHE HN . 15028 1 219 . 1 1 24 24 PHE HA H 1 5.278 0.03 . 1 . . . . 24 PHE HA . 15028 1 220 . 1 1 24 24 PHE HB2 H 1 2.715 0.03 . 2 . . . . 24 PHE HB1 . 15028 1 221 . 1 1 24 24 PHE HB3 H 1 3.435 0.03 . 2 . . . . 24 PHE HB2 . 15028 1 222 . 1 1 24 24 PHE HD1 H 1 7.230 0.03 . 3 . . . . 24 PHE HD1 . 15028 1 223 . 1 1 24 24 PHE CA C 13 57.581 0.30 . 1 . . . . 24 PHE CA . 15028 1 224 . 1 1 24 24 PHE CB C 13 38.706 0.30 . 1 . . . . 24 PHE CB . 15028 1 225 . 1 1 24 24 PHE N N 15 127.789 0.30 . 1 . . . . 24 PHE N . 15028 1 226 . 1 1 25 25 TRP H H 1 8.668 0.03 . 1 . . . . 25 TRP HN . 15028 1 227 . 1 1 25 25 TRP HA H 1 4.740 0.03 . 1 . . . . 25 TRP HA . 15028 1 228 . 1 1 25 25 TRP HB2 H 1 3.162 0.03 . 2 . . . . 25 TRP HB1 . 15028 1 229 . 1 1 25 25 TRP HB3 H 1 3.204 0.03 . 2 . . . . 25 TRP HB2 . 15028 1 230 . 1 1 25 25 TRP HD1 H 1 7.207 0.03 . 1 . . . . 25 TRP HD1 . 15028 1 231 . 1 1 25 25 TRP HE1 H 1 10.376 0.03 . 1 . . . . 25 TRP HE1 . 15028 1 232 . 1 1 25 25 TRP HE3 H 1 7.005 0.03 . 4 . . . . 25 TRP HE3 . 15028 1 233 . 1 1 25 25 TRP HZ2 H 1 7.564 0.03 . 4 . . . . 25 TRP HZ2 . 15028 1 234 . 1 1 25 25 TRP HZ3 H 1 6.763 0.03 . 4 . . . . 25 TRP HZ3 . 15028 1 235 . 1 1 25 25 TRP CA C 13 54.803 0.30 . 1 . . . . 25 TRP CA . 15028 1 236 . 1 1 25 25 TRP CB C 13 31.081 0.30 . 1 . . . . 25 TRP CB . 15028 1 237 . 1 1 25 25 TRP CD1 C 13 127.029 0.30 . 4 . . . . 25 TRP CD1 . 15028 1 238 . 1 1 25 25 TRP CZ2 C 13 114.810 0.30 . 4 . . . . 25 TRP CZ2 . 15028 1 239 . 1 1 25 25 TRP N N 15 122.516 0.30 . 1 . . . . 25 TRP N . 15028 1 240 . 1 1 25 25 TRP NE1 N 15 129.581 0.30 . 1 . . . . 25 TRP NE1 . 15028 1 241 . 1 1 26 26 ALA H H 1 8.039 0.03 . 1 . . . . 26 ALA HN . 15028 1 242 . 1 1 26 26 ALA HA H 1 3.657 0.03 . 1 . . . . 26 ALA HA . 15028 1 243 . 1 1 26 26 ALA HB1 H 1 0.515 0.03 . 1 . . . . 26 ALA HB . 15028 1 244 . 1 1 26 26 ALA HB2 H 1 0.515 0.03 . 1 . . . . 26 ALA HB . 15028 1 245 . 1 1 26 26 ALA HB3 H 1 0.515 0.03 . 1 . . . . 26 ALA HB . 15028 1 246 . 1 1 26 26 ALA CA C 13 51.081 0.30 . 1 . . . . 26 ALA CA . 15028 1 247 . 1 1 26 26 ALA CB C 13 21.331 0.30 . 1 . . . . 26 ALA CB . 15028 1 248 . 1 1 26 26 ALA N N 15 118.402 0.30 . 1 . . . . 26 ALA N . 15028 1 249 . 1 1 27 27 PRO HA H 1 4.199 0.03 . 1 . . . . 27 PRO HA . 15028 1 250 . 1 1 27 27 PRO HB2 H 1 2.064 0.03 . 2 . . . . 27 PRO HB1 . 15028 1 251 . 1 1 27 27 PRO HB3 H 1 2.451 0.03 . 2 . . . . 27 PRO HB2 . 15028 1 252 . 1 1 27 27 PRO HG2 H 1 1.928 0.03 . 2 . . . . 27 PRO HG1 . 15028 1 253 . 1 1 27 27 PRO HG3 H 1 2.023 0.03 . 2 . . . . 27 PRO HG2 . 15028 1 254 . 1 1 27 27 PRO HD2 H 1 2.588 0.03 . 2 . . . . 27 PRO HD1 . 15028 1 255 . 1 1 27 27 PRO HD3 H 1 3.358 0.03 . 2 . . . . 27 PRO HD2 . 15028 1 256 . 1 1 27 27 PRO CA C 13 64.957 0.30 . 1 . . . . 27 PRO CA . 15028 1 257 . 1 1 27 27 PRO CB C 13 32.081 0.30 . 1 . . . . 27 PRO CB . 15028 1 258 . 1 1 27 27 PRO CG C 13 27.331 0.30 . 1 . . . . 27 PRO CG . 15028 1 259 . 1 1 27 27 PRO CD C 13 51.456 0.30 . 1 . . . . 27 PRO CD . 15028 1 260 . 1 1 28 28 TRP H H 1 6.247 0.03 . 1 . . . . 28 TRP HN . 15028 1 261 . 1 1 28 28 TRP HA H 1 4.538 0.03 . 1 . . . . 28 TRP HA . 15028 1 262 . 1 1 28 28 TRP HB2 H 1 3.030 0.03 . 2 . . . . 28 TRP HB1 . 15028 1 263 . 1 1 28 28 TRP HB3 H 1 3.381 0.03 . 2 . . . . 28 TRP HB2 . 15028 1 264 . 1 1 28 28 TRP HD1 H 1 7.432 0.03 . 1 . . . . 28 TRP HD1 . 15028 1 265 . 1 1 28 28 TRP HE1 H 1 10.893 0.03 . 1 . . . . 28 TRP HE1 . 15028 1 266 . 1 1 28 28 TRP HZ2 H 1 7.432 0.03 . 4 . . . . 28 TRP HZ2 . 15028 1 267 . 1 1 28 28 TRP CA C 13 54.456 0.30 . 1 . . . . 28 TRP CA . 15028 1 268 . 1 1 28 28 TRP CB C 13 28.831 0.30 . 1 . . . . 28 TRP CB . 15028 1 269 . 1 1 28 28 TRP CD1 C 13 128.623 0.30 . 4 . . . . 28 TRP CD1 . 15028 1 270 . 1 1 28 28 TRP N N 15 110.070 0.30 . 1 . . . . 28 TRP N . 15028 1 271 . 1 1 28 28 TRP NE1 N 15 107.644 0.30 . 1 . . . . 28 TRP NE1 . 15028 1 272 . 1 1 29 29 CYS H H 1 7.016 0.03 . 1 . . . . 29 CYS HN . 15028 1 273 . 1 1 29 29 CYS HA H 1 4.750 0.03 . 1 . . . . 29 CYS HA . 15028 1 274 . 1 1 29 29 CYS HB2 H 1 1.273 0.03 . 2 . . . . 29 CYS HB1 . 15028 1 275 . 1 1 29 29 CYS HB3 H 1 2.213 0.03 . 2 . . . . 29 CYS HB2 . 15028 1 276 . 1 1 29 29 CYS CA C 13 53.925 0.30 . 1 . . . . 29 CYS CA . 15028 1 277 . 1 1 29 29 CYS CB C 13 39.581 0.30 . 1 . . . . 29 CYS CB . 15028 1 278 . 1 1 29 29 CYS N N 15 119.984 0.30 . 1 . . . . 29 CYS N . 15028 1 279 . 1 1 30 30 GLY HA2 H 1 3.828 0.03 . 2 . . . . 30 GLY HA1 . 15028 1 280 . 1 1 30 30 GLY HA3 H 1 4.209 0.03 . 2 . . . . 30 GLY HA2 . 15028 1 281 . 1 1 30 30 GLY CA C 13 49.081 0.30 . 1 . . . . 30 GLY CA . 15028 1 282 . 1 1 31 31 PRO HA H 1 4.391 0.03 . 1 . . . . 31 PRO HA . 15028 1 283 . 1 1 31 31 PRO HB2 H 1 1.670 0.03 . 2 . . . . 31 PRO HB1 . 15028 1 284 . 1 1 31 31 PRO HB3 H 1 2.485 0.03 . 2 . . . . 31 PRO HB2 . 15028 1 285 . 1 1 31 31 PRO HD2 H 1 3.621 0.03 . 1 . . . . 31 PRO HD1 . 15028 1 286 . 1 1 31 31 PRO HD3 H 1 3.621 0.03 . 1 . . . . 31 PRO HD2 . 15028 1 287 . 1 1 31 31 PRO CA C 13 65.082 0.30 . 1 . . . . 31 PRO CA . 15028 1 288 . 1 1 31 31 PRO CB C 13 32.081 0.30 . 1 . . . . 31 PRO CB . 15028 1 289 . 1 1 31 31 PRO CG C 13 27.456 0.30 . 1 . . . . 31 PRO CG . 15028 1 290 . 1 1 31 31 PRO CD C 13 49.956 0.30 . 1 . . . . 31 PRO CD . 15028 1 291 . 1 1 32 32 SER H H 1 7.457 0.03 . 1 . . . . 32 SER HN . 15028 1 292 . 1 1 32 32 SER HA H 1 4.400 0.03 . 1 . . . . 32 SER HA . 15028 1 293 . 1 1 32 32 SER HB2 H 1 4.423 0.03 . 2 . . . . 32 SER HB2 . 15028 1 294 . 1 1 32 32 SER CA C 13 60.581 0.30 . 1 . . . . 32 SER CA . 15028 1 295 . 1 1 32 32 SER CB C 13 63.674 0.30 . 1 . . . . 32 SER CB . 15028 1 296 . 1 1 32 32 SER N N 15 111.969 0.30 . 1 . . . . 32 SER N . 15028 1 297 . 1 1 33 33 LYS H H 1 7.836 0.03 . 1 . . . . 33 LYS HN . 15028 1 298 . 1 1 33 33 LYS HA H 1 4.095 0.03 . 1 . . . . 33 LYS HA . 15028 1 299 . 1 1 33 33 LYS HB2 H 1 1.882 0.03 . 1 . . . . 33 LYS HB1 . 15028 1 300 . 1 1 33 33 LYS HB3 H 1 1.882 0.03 . 1 . . . . 33 LYS HB2 . 15028 1 301 . 1 1 33 33 LYS HG2 H 1 1.610 0.03 . 2 . . . . 33 LYS HG1 . 15028 1 302 . 1 1 33 33 LYS HG3 H 1 1.641 0.03 . 2 . . . . 33 LYS HG2 . 15028 1 303 . 1 1 33 33 LYS HD2 H 1 1.886 0.03 . 2 . . . . 33 LYS HD1 . 15028 1 304 . 1 1 33 33 LYS HD3 H 1 1.949 0.03 . 2 . . . . 33 LYS HD2 . 15028 1 305 . 1 1 33 33 LYS HE2 H 1 2.793 0.03 . 2 . . . . 33 LYS HE1 . 15028 1 306 . 1 1 33 33 LYS HE3 H 1 3.107 0.03 . 2 . . . . 33 LYS HE2 . 15028 1 307 . 1 1 33 33 LYS CA C 13 59.581 0.30 . 1 . . . . 33 LYS CA . 15028 1 308 . 1 1 33 33 LYS CB C 13 32.206 0.30 . 1 . . . . 33 LYS CB . 15028 1 309 . 1 1 33 33 LYS CG C 13 25.956 0.30 . 1 . . . . 33 LYS CG . 15028 1 310 . 1 1 33 33 LYS CD C 13 29.456 0.30 . 1 . . . . 33 LYS CD . 15028 1 311 . 1 1 33 33 LYS CE C 13 42.081 0.30 . 1 . . . . 33 LYS CE . 15028 1 312 . 1 1 33 33 LYS N N 15 125.680 0.30 . 1 . . . . 33 LYS N . 15028 1 313 . 1 1 34 34 MET H H 1 8.133 0.03 . 1 . . . . 34 MET HN . 15028 1 314 . 1 1 34 34 MET HA H 1 4.184 0.03 . 1 . . . . 34 MET HA . 15028 1 315 . 1 1 34 34 MET HB2 H 1 1.923 0.03 . 1 . . . . 34 MET HB1 . 15028 1 316 . 1 1 34 34 MET HB3 H 1 1.923 0.03 . 1 . . . . 34 MET HB2 . 15028 1 317 . 1 1 34 34 MET HG2 H 1 2.452 0.03 . 2 . . . . 34 MET HG1 . 15028 1 318 . 1 1 34 34 MET HG3 H 1 2.510 0.03 . 2 . . . . 34 MET HG2 . 15028 1 319 . 1 1 34 34 MET HE1 H 1 1.708 0.03 . 1 . . . . 34 MET HE1 . 15028 1 320 . 1 1 34 34 MET HE2 H 1 1.708 0.03 . 1 . . . . 34 MET HE1 . 15028 1 321 . 1 1 34 34 MET HE3 H 1 1.708 0.03 . 1 . . . . 34 MET HE1 . 15028 1 322 . 1 1 34 34 MET CA C 13 57.706 0.30 . 1 . . . . 34 MET CA . 15028 1 323 . 1 1 34 34 MET CB C 13 32.581 0.30 . 1 . . . . 34 MET CB . 15028 1 324 . 1 1 34 34 MET CG C 13 32.081 0.30 . 1 . . . . 34 MET CG . 15028 1 325 . 1 1 34 34 MET CE C 13 16.205 0.30 . 1 . . . . 34 MET CE . 15028 1 326 . 1 1 34 34 MET N N 15 118.508 0.30 . 1 . . . . 34 MET N . 15028 1 327 . 1 1 35 35 ILE H H 1 6.901 0.03 . 1 . . . . 35 ILE HN . 15028 1 328 . 1 1 35 35 ILE HA H 1 4.351 0.03 . 1 . . . . 35 ILE HA . 15028 1 329 . 1 1 35 35 ILE HB H 1 2.008 0.03 . 1 . . . . 35 ILE HB . 15028 1 330 . 1 1 35 35 ILE HG12 H 1 1.531 0.03 . 1 . . . . 35 ILE HG11 . 15028 1 331 . 1 1 35 35 ILE HG13 H 1 1.640 0.03 . 1 . . . . 35 ILE HG12 . 15028 1 332 . 1 1 35 35 ILE HG21 H 1 0.890 0.03 . 1 . . . . 35 ILE HG2 . 15028 1 333 . 1 1 35 35 ILE HG22 H 1 0.890 0.03 . 1 . . . . 35 ILE HG2 . 15028 1 334 . 1 1 35 35 ILE HG23 H 1 0.890 0.03 . 1 . . . . 35 ILE HG2 . 15028 1 335 . 1 1 35 35 ILE HD11 H 1 0.890 0.03 . 1 . . . . 35 ILE HD1 . 15028 1 336 . 1 1 35 35 ILE HD12 H 1 0.890 0.03 . 1 . . . . 35 ILE HD1 . 15028 1 337 . 1 1 35 35 ILE HD13 H 1 0.890 0.03 . 1 . . . . 35 ILE HD1 . 15028 1 338 . 1 1 35 35 ILE CA C 13 61.081 0.30 . 1 . . . . 35 ILE CA . 15028 1 339 . 1 1 35 35 ILE CB C 13 39.581 0.30 . 1 . . . . 35 ILE CB . 15028 1 340 . 1 1 35 35 ILE CG1 C 13 29.331 0.30 . 1 . . . . 35 ILE CG1 . 15028 1 341 . 1 1 35 35 ILE CG2 C 13 16.580 0.30 . 1 . . . . 35 ILE CG2 . 15028 1 342 . 1 1 35 35 ILE CD1 C 13 13.830 0.30 . 1 . . . . 35 ILE CD1 . 15028 1 343 . 1 1 35 35 ILE N N 15 115.238 0.30 . 1 . . . . 35 ILE N . 15028 1 344 . 1 1 36 36 ALA H H 1 7.399 0.03 . 1 . . . . 36 ALA HN . 15028 1 345 . 1 1 36 36 ALA HA H 1 3.859 0.03 . 1 . . . . 36 ALA HA . 15028 1 346 . 1 1 36 36 ALA HB1 H 1 1.330 0.03 . 1 . . . . 36 ALA HB . 15028 1 347 . 1 1 36 36 ALA HB2 H 1 1.330 0.03 . 1 . . . . 36 ALA HB . 15028 1 348 . 1 1 36 36 ALA HB3 H 1 1.330 0.03 . 1 . . . . 36 ALA HB . 15028 1 349 . 1 1 36 36 ALA CA C 13 57.706 0.30 . 1 . . . . 36 ALA CA . 15028 1 350 . 1 1 36 36 ALA CB C 13 15.205 0.30 . 1 . . . . 36 ALA CB . 15028 1 351 . 1 1 36 36 ALA N N 15 125.152 0.30 . 1 . . . . 36 ALA N . 15028 1 352 . 1 1 37 37 PRO HA H 1 4.344 0.03 . 1 . . . . 37 PRO HA . 15028 1 353 . 1 1 37 37 PRO HB2 H 1 1.945 0.03 . 2 . . . . 37 PRO HB1 . 15028 1 354 . 1 1 37 37 PRO HB3 H 1 2.329 0.03 . 2 . . . . 37 PRO HB2 . 15028 1 355 . 1 1 37 37 PRO HG2 H 1 1.996 0.03 . 2 . . . . 37 PRO HG1 . 15028 1 356 . 1 1 37 37 PRO HG3 H 1 2.077 0.03 . 2 . . . . 37 PRO HG2 . 15028 1 357 . 1 1 37 37 PRO HD2 H 1 3.556 0.03 . 2 . . . . 37 PRO HD1 . 15028 1 358 . 1 1 37 37 PRO HD3 H 1 3.980 0.03 . 2 . . . . 37 PRO HD2 . 15028 1 359 . 1 1 37 37 PRO CA C 13 65.456 0.30 . 1 . . . . 37 PRO CA . 15028 1 360 . 1 1 37 37 PRO CB C 13 30.956 0.30 . 1 . . . . 37 PRO CB . 15028 1 361 . 1 1 37 37 PRO CG C 13 28.331 0.30 . 1 . . . . 37 PRO CG . 15028 1 362 . 1 1 37 37 PRO CD C 13 49.956 0.30 . 1 . . . . 37 PRO CD . 15028 1 363 . 1 1 38 38 VAL H H 1 6.749 0.03 . 1 . . . . 38 VAL HN . 15028 1 364 . 1 1 38 38 VAL HA H 1 3.832 0.03 . 1 . . . . 38 VAL HA . 15028 1 365 . 1 1 38 38 VAL HB H 1 2.374 0.03 . 1 . . . . 38 VAL HB . 15028 1 366 . 1 1 38 38 VAL HG11 H 1 0.876 0.03 . 2 . . . . 38 VAL HG1 . 15028 1 367 . 1 1 38 38 VAL HG12 H 1 0.876 0.03 . 2 . . . . 38 VAL HG1 . 15028 1 368 . 1 1 38 38 VAL HG13 H 1 0.876 0.03 . 2 . . . . 38 VAL HG1 . 15028 1 369 . 1 1 38 38 VAL HG21 H 1 1.245 0.03 . 2 . . . . 38 VAL HG2 . 15028 1 370 . 1 1 38 38 VAL HG22 H 1 1.245 0.03 . 2 . . . . 38 VAL HG2 . 15028 1 371 . 1 1 38 38 VAL HG23 H 1 1.245 0.03 . 2 . . . . 38 VAL HG2 . 15028 1 372 . 1 1 38 38 VAL CA C 13 65.581 0.30 . 1 . . . . 38 VAL CA . 15028 1 373 . 1 1 38 38 VAL CB C 13 31.331 0.30 . 1 . . . . 38 VAL CB . 15028 1 374 . 1 1 38 38 VAL CG1 C 13 21.581 0.30 . 1 . . . . 38 VAL CG1 . 15028 1 375 . 1 1 38 38 VAL CG2 C 13 21.706 0.30 . 1 . . . . 38 VAL CG2 . 15028 1 376 . 1 1 38 38 VAL N N 15 119.035 0.30 . 1 . . . . 38 VAL N . 15028 1 377 . 1 1 39 39 LEU H H 1 7.843 0.03 . 1 . . . . 39 LEU HN . 15028 1 378 . 1 1 39 39 LEU HA H 1 3.860 0.03 . 1 . . . . 39 LEU HA . 15028 1 379 . 1 1 39 39 LEU HB2 H 1 1.302 0.03 . 2 . . . . 39 LEU HB1 . 15028 1 380 . 1 1 39 39 LEU HB3 H 1 2.042 0.03 . 2 . . . . 39 LEU HB2 . 15028 1 381 . 1 1 39 39 LEU HD11 H 1 0.633 0.03 . 2 . . . . 39 LEU HD1 . 15028 1 382 . 1 1 39 39 LEU HD12 H 1 0.633 0.03 . 2 . . . . 39 LEU HD1 . 15028 1 383 . 1 1 39 39 LEU HD13 H 1 0.633 0.03 . 2 . . . . 39 LEU HD1 . 15028 1 384 . 1 1 39 39 LEU HD21 H 1 0.676 0.03 . 2 . . . . 39 LEU HD2 . 15028 1 385 . 1 1 39 39 LEU HD22 H 1 0.676 0.03 . 2 . . . . 39 LEU HD2 . 15028 1 386 . 1 1 39 39 LEU HD23 H 1 0.676 0.03 . 2 . . . . 39 LEU HD2 . 15028 1 387 . 1 1 39 39 LEU CA C 13 57.706 0.30 . 1 . . . . 39 LEU CA . 15028 1 388 . 1 1 39 39 LEU CB C 13 40.331 0.30 . 1 . . . . 39 LEU CB . 15028 1 389 . 1 1 39 39 LEU CD1 C 13 22.206 0.30 . 1 . . . . 39 LEU CD1 . 15028 1 390 . 1 1 39 39 LEU CD2 C 13 26.081 0.30 . 1 . . . . 39 LEU CD2 . 15028 1 391 . 1 1 39 39 LEU N N 15 117.769 0.30 . 1 . . . . 39 LEU N . 15028 1 392 . 1 1 40 40 GLU H H 1 7.638 0.03 . 1 . . . . 40 GLU HN . 15028 1 393 . 1 1 40 40 GLU HA H 1 3.908 0.03 . 1 . . . . 40 GLU HA . 15028 1 394 . 1 1 40 40 GLU HB2 H 1 2.074 0.03 . 2 . . . . 40 GLU HB2 . 15028 1 395 . 1 1 40 40 GLU HG2 H 1 2.184 0.03 . 2 . . . . 40 GLU HG1 . 15028 1 396 . 1 1 40 40 GLU HG3 H 1 2.307 0.03 . 2 . . . . 40 GLU HG2 . 15028 1 397 . 1 1 40 40 GLU CA C 13 59.706 0.30 . 1 . . . . 40 GLU CA . 15028 1 398 . 1 1 40 40 GLU CB C 13 28.831 0.30 . 1 . . . . 40 GLU CB . 15028 1 399 . 1 1 40 40 GLU CG C 13 36.331 0.30 . 1 . . . . 40 GLU CG . 15028 1 400 . 1 1 40 40 GLU N N 15 117.769 0.30 . 1 . . . . 40 GLU N . 15028 1 401 . 1 1 41 41 GLU H H 1 7.596 0.03 . 1 . . . . 41 GLU HN . 15028 1 402 . 1 1 41 41 GLU HA H 1 4.052 0.03 . 1 . . . . 41 GLU HA . 15028 1 403 . 1 1 41 41 GLU HB2 H 1 2.012 0.03 . 2 . . . . 41 GLU HB1 . 15028 1 404 . 1 1 41 41 GLU HB3 H 1 2.256 0.03 . 2 . . . . 41 GLU HB2 . 15028 1 405 . 1 1 41 41 GLU HG2 H 1 2.150 0.03 . 2 . . . . 41 GLU HG1 . 15028 1 406 . 1 1 41 41 GLU HG3 H 1 2.547 0.03 . 2 . . . . 41 GLU HG2 . 15028 1 407 . 1 1 41 41 GLU CA C 13 59.831 0.30 . 1 . . . . 41 GLU CA . 15028 1 408 . 1 1 41 41 GLU CB C 13 29.956 0.30 . 1 . . . . 41 GLU CB . 15028 1 409 . 1 1 41 41 GLU CG C 13 36.581 0.30 . 1 . . . . 41 GLU CG . 15028 1 410 . 1 1 41 41 GLU N N 15 119.984 0.30 . 1 . . . . 41 GLU N . 15028 1 411 . 1 1 42 42 LEU H H 1 8.255 0.03 . 1 . . . . 42 LEU HN . 15028 1 412 . 1 1 42 42 LEU HA H 1 3.901 0.03 . 1 . . . . 42 LEU HA . 15028 1 413 . 1 1 42 42 LEU HB2 H 1 1.560 0.03 . 2 . . . . 42 LEU HB1 . 15028 1 414 . 1 1 42 42 LEU HB3 H 1 1.671 0.03 . 2 . . . . 42 LEU HB2 . 15028 1 415 . 1 1 42 42 LEU HG H 1 1.572 0.03 . 1 . . . . 42 LEU HG . 15028 1 416 . 1 1 42 42 LEU HD11 H 1 0.677 0.03 . 2 . . . . 42 LEU HD1 . 15028 1 417 . 1 1 42 42 LEU HD12 H 1 0.677 0.03 . 2 . . . . 42 LEU HD1 . 15028 1 418 . 1 1 42 42 LEU HD13 H 1 0.677 0.03 . 2 . . . . 42 LEU HD1 . 15028 1 419 . 1 1 42 42 LEU HD21 H 1 0.741 0.03 . 2 . . . . 42 LEU HD2 . 15028 1 420 . 1 1 42 42 LEU HD22 H 1 0.741 0.03 . 2 . . . . 42 LEU HD2 . 15028 1 421 . 1 1 42 42 LEU HD23 H 1 0.741 0.03 . 2 . . . . 42 LEU HD2 . 15028 1 422 . 1 1 42 42 LEU CA C 13 58.081 0.30 . 1 . . . . 42 LEU CA . 15028 1 423 . 1 1 42 42 LEU CB C 13 42.581 0.30 . 1 . . . . 42 LEU CB . 15028 1 424 . 1 1 42 42 LEU CG C 13 26.831 0.30 . 1 . . . . 42 LEU CG . 15028 1 425 . 1 1 42 42 LEU CD1 C 13 25.456 0.30 . 1 . . . . 42 LEU CD1 . 15028 1 426 . 1 1 42 42 LEU CD2 C 13 25.081 0.30 . 1 . . . . 42 LEU CD2 . 15028 1 427 . 1 1 42 42 LEU N N 15 120.301 0.30 . 1 . . . . 42 LEU N . 15028 1 428 . 1 1 43 43 ASP H H 1 8.600 0.03 . 1 . . . . 43 ASP HN . 15028 1 429 . 1 1 43 43 ASP HA H 1 4.233 0.03 . 1 . . . . 43 ASP HA . 15028 1 430 . 1 1 43 43 ASP HB2 H 1 2.650 0.03 . 2 . . . . 43 ASP HB2 . 15028 1 431 . 1 1 43 43 ASP CA C 13 57.706 0.30 . 1 . . . . 43 ASP CA . 15028 1 432 . 1 1 43 43 ASP CB C 13 42.831 0.30 . 1 . . . . 43 ASP CB . 15028 1 433 . 1 1 43 43 ASP N N 15 119.246 0.30 . 1 . . . . 43 ASP N . 15028 1 434 . 1 1 44 44 GLN H H 1 7.691 0.03 . 1 . . . . 44 GLN HN . 15028 1 435 . 1 1 44 44 GLN HA H 1 4.017 0.03 . 1 . . . . 44 GLN HA . 15028 1 436 . 1 1 44 44 GLN HB2 H 1 2.200 0.03 . 2 . . . . 44 GLN HB1 . 15028 1 437 . 1 1 44 44 GLN HB3 H 1 2.251 0.03 . 2 . . . . 44 GLN HB2 . 15028 1 438 . 1 1 44 44 GLN HG2 H 1 2.489 0.03 . 2 . . . . 44 GLN HG1 . 15028 1 439 . 1 1 44 44 GLN HG3 H 1 2.576 0.03 . 2 . . . . 44 GLN HG2 . 15028 1 440 . 1 1 44 44 GLN HE21 H 1 7.507 0.03 . 2 . . . . 44 GLN HE21 . 15028 1 441 . 1 1 44 44 GLN HE22 H 1 6.811 0.03 . 2 . . . . 44 GLN HE22 . 15028 1 442 . 1 1 44 44 GLN CA C 13 58.581 0.30 . 1 . . . . 44 GLN CA . 15028 1 443 . 1 1 44 44 GLN CB C 13 28.581 0.30 . 1 . . . . 44 GLN CB . 15028 1 444 . 1 1 44 44 GLN CG C 13 34.206 0.30 . 1 . . . . 44 GLN CG . 15028 1 445 . 1 1 44 44 GLN N N 15 117.031 0.30 . 1 . . . . 44 GLN N . 15028 1 446 . 1 1 44 44 GLN NE2 N 15 111.969 0.30 . 1 . . . . 44 GLN NE2 . 15028 1 447 . 1 1 45 45 GLU H H 1 7.632 0.03 . 1 . . . . 45 GLU HN . 15028 1 448 . 1 1 45 45 GLU HA H 1 4.232 0.03 . 1 . . . . 45 GLU HA . 15028 1 449 . 1 1 45 45 GLU HB2 H 1 2.053 0.03 . 2 . . . . 45 GLU HB2 . 15028 1 450 . 1 1 45 45 GLU HG2 H 1 2.240 0.03 . 2 . . . . 45 GLU HG1 . 15028 1 451 . 1 1 45 45 GLU HG3 H 1 2.393 0.03 . 2 . . . . 45 GLU HG2 . 15028 1 452 . 1 1 45 45 GLU CA C 13 58.331 0.30 . 1 . . . . 45 GLU CA . 15028 1 453 . 1 1 45 45 GLU CB C 13 31.081 0.30 . 1 . . . . 45 GLU CB . 15028 1 454 . 1 1 45 45 GLU CG C 13 36.206 0.30 . 1 . . . . 45 GLU CG . 15028 1 455 . 1 1 45 45 GLU N N 15 116.820 0.30 . 1 . . . . 45 GLU N . 15028 1 456 . 1 1 46 46 MET H H 1 8.557 0.03 . 1 . . . . 46 MET HN . 15028 1 457 . 1 1 46 46 MET HA H 1 4.749 0.03 . 1 . . . . 46 MET HA . 15028 1 458 . 1 1 46 46 MET HB2 H 1 2.104 0.03 . 2 . . . . 46 MET HB2 . 15028 1 459 . 1 1 46 46 MET HG2 H 1 2.455 0.03 . 2 . . . . 46 MET HG1 . 15028 1 460 . 1 1 46 46 MET HG3 H 1 2.551 0.03 . 2 . . . . 46 MET HG2 . 15028 1 461 . 1 1 46 46 MET HE1 H 1 2.050 0.03 . 1 . . . . 46 MET HE1 . 15028 1 462 . 1 1 46 46 MET HE2 H 1 2.050 0.03 . 1 . . . . 46 MET HE1 . 15028 1 463 . 1 1 46 46 MET HE3 H 1 2.050 0.03 . 1 . . . . 46 MET HE1 . 15028 1 464 . 1 1 46 46 MET CA C 13 55.741 0.30 . 1 . . . . 46 MET CA . 15028 1 465 . 1 1 46 46 MET CB C 13 33.831 0.30 . 1 . . . . 46 MET CB . 15028 1 466 . 1 1 46 46 MET CG C 13 32.331 0.30 . 1 . . . . 46 MET CG . 15028 1 467 . 1 1 46 46 MET CE C 13 17.705 0.30 . 1 . . . . 46 MET CE . 15028 1 468 . 1 1 46 46 MET N N 15 114.816 0.30 . 1 . . . . 46 MET N . 15028 1 469 . 1 1 47 47 GLY H H 1 8.164 0.03 . 1 . . . . 47 GLY HN . 15028 1 470 . 1 1 47 47 GLY HA2 H 1 4.132 0.03 . 2 . . . . 47 GLY HA2 . 15028 1 471 . 1 1 47 47 GLY CA C 13 47.581 0.30 . 1 . . . . 47 GLY CA . 15028 1 472 . 1 1 47 47 GLY N N 15 110.387 0.30 . 1 . . . . 47 GLY N . 15028 1 473 . 1 1 48 48 ASP H H 1 8.631 0.03 . 1 . . . . 48 ASP HN . 15028 1 474 . 1 1 48 48 ASP HA H 1 4.542 0.03 . 1 . . . . 48 ASP HA . 15028 1 475 . 1 1 48 48 ASP HB2 H 1 2.728 0.03 . 2 . . . . 48 ASP HB2 . 15028 1 476 . 1 1 48 48 ASP CA C 13 55.206 0.30 . 1 . . . . 48 ASP CA . 15028 1 477 . 1 1 48 48 ASP CB C 13 39.956 0.30 . 1 . . . . 48 ASP CB . 15028 1 478 . 1 1 48 48 ASP N N 15 118.191 0.30 . 1 . . . . 48 ASP N . 15028 1 479 . 1 1 49 49 LYS H H 1 7.950 0.03 . 1 . . . . 49 LYS HN . 15028 1 480 . 1 1 49 49 LYS HA H 1 4.384 0.03 . 1 . . . . 49 LYS HA . 15028 1 481 . 1 1 49 49 LYS HB2 H 1 1.789 0.03 . 2 . . . . 49 LYS HB1 . 15028 1 482 . 1 1 49 49 LYS HB3 H 1 1.926 0.03 . 2 . . . . 49 LYS HB2 . 15028 1 483 . 1 1 49 49 LYS HG2 H 1 1.499 0.03 . 2 . . . . 49 LYS HG2 . 15028 1 484 . 1 1 49 49 LYS HD2 H 1 1.709 0.03 . 2 . . . . 49 LYS HD1 . 15028 1 485 . 1 1 49 49 LYS HD3 H 1 1.745 0.03 . 2 . . . . 49 LYS HD2 . 15028 1 486 . 1 1 49 49 LYS HE2 H 1 3.033 0.03 . 2 . . . . 49 LYS HE2 . 15028 1 487 . 1 1 49 49 LYS CA C 13 56.831 0.30 . 1 . . . . 49 LYS CA . 15028 1 488 . 1 1 49 49 LYS CB C 13 34.456 0.30 . 1 . . . . 49 LYS CB . 15028 1 489 . 1 1 49 49 LYS CG C 13 24.956 0.30 . 1 . . . . 49 LYS CG . 15028 1 490 . 1 1 49 49 LYS CD C 13 29.206 0.30 . 1 . . . . 49 LYS CD . 15028 1 491 . 1 1 49 49 LYS CE C 13 42.206 0.30 . 1 . . . . 49 LYS CE . 15028 1 492 . 1 1 49 49 LYS N N 15 117.875 0.30 . 1 . . . . 49 LYS N . 15028 1 493 . 1 1 50 50 LEU H H 1 7.635 0.03 . 1 . . . . 50 LEU HN . 15028 1 494 . 1 1 50 50 LEU HA H 1 4.614 0.03 . 1 . . . . 50 LEU HA . 15028 1 495 . 1 1 50 50 LEU HB2 H 1 1.134 0.03 . 2 . . . . 50 LEU HB1 . 15028 1 496 . 1 1 50 50 LEU HB3 H 1 1.709 0.03 . 2 . . . . 50 LEU HB2 . 15028 1 497 . 1 1 50 50 LEU HG H 1 1.401 0.03 . 1 . . . . 50 LEU HG . 15028 1 498 . 1 1 50 50 LEU HD11 H 1 0.832 0.03 . 2 . . . . 50 LEU HD1 . 15028 1 499 . 1 1 50 50 LEU HD12 H 1 0.832 0.03 . 2 . . . . 50 LEU HD1 . 15028 1 500 . 1 1 50 50 LEU HD13 H 1 0.832 0.03 . 2 . . . . 50 LEU HD1 . 15028 1 501 . 1 1 50 50 LEU HD21 H 1 0.791 0.03 . 2 . . . . 50 LEU HD2 . 15028 1 502 . 1 1 50 50 LEU HD22 H 1 0.791 0.03 . 2 . . . . 50 LEU HD2 . 15028 1 503 . 1 1 50 50 LEU HD23 H 1 0.791 0.03 . 2 . . . . 50 LEU HD2 . 15028 1 504 . 1 1 50 50 LEU CA C 13 53.706 0.30 . 1 . . . . 50 LEU CA . 15028 1 505 . 1 1 50 50 LEU CB C 13 46.331 0.30 . 1 . . . . 50 LEU CB . 15028 1 506 . 1 1 50 50 LEU CG C 13 26.956 0.30 . 1 . . . . 50 LEU CG . 15028 1 507 . 1 1 50 50 LEU CD1 C 13 23.831 0.30 . 1 . . . . 50 LEU CD1 . 15028 1 508 . 1 1 50 50 LEU CD2 C 13 26.956 0.30 . 1 . . . . 50 LEU CD2 . 15028 1 509 . 1 1 50 50 LEU N N 15 119.141 0.30 . 1 . . . . 50 LEU N . 15028 1 510 . 1 1 51 51 LYS H H 1 7.636 0.03 . 1 . . . . 51 LYS HN . 15028 1 511 . 1 1 51 51 LYS HA H 1 4.748 0.03 . 1 . . . . 51 LYS HA . 15028 1 512 . 1 1 51 51 LYS HB2 H 1 1.807 0.03 . 2 . . . . 51 LYS HB2 . 15028 1 513 . 1 1 51 51 LYS HG2 H 1 1.206 0.03 . 2 . . . . 51 LYS HG1 . 15028 1 514 . 1 1 51 51 LYS HG3 H 1 1.407 0.03 . 2 . . . . 51 LYS HG2 . 15028 1 515 . 1 1 51 51 LYS HD2 H 1 1.622 0.03 . 2 . . . . 51 LYS HD1 . 15028 1 516 . 1 1 51 51 LYS HD3 H 1 1.681 0.03 . 2 . . . . 51 LYS HD2 . 15028 1 517 . 1 1 51 51 LYS HE2 H 1 2.822 0.03 . 2 . . . . 51 LYS HE1 . 15028 1 518 . 1 1 51 51 LYS HE3 H 1 3.040 0.03 . 2 . . . . 51 LYS HE2 . 15028 1 519 . 1 1 51 51 LYS CA C 13 55.204 0.30 . 1 . . . . 51 LYS CA . 15028 1 520 . 1 1 51 51 LYS CB C 13 34.831 0.30 . 1 . . . . 51 LYS CB . 15028 1 521 . 1 1 51 51 LYS CG C 13 24.956 0.30 . 1 . . . . 51 LYS CG . 15028 1 522 . 1 1 51 51 LYS CD C 13 29.456 0.30 . 1 . . . . 51 LYS CD . 15028 1 523 . 1 1 51 51 LYS CE C 13 42.159 0.30 . 1 . . . . 51 LYS CE . 15028 1 524 . 1 1 51 51 LYS N N 15 125.890 0.30 . 1 . . . . 51 LYS N . 15028 1 525 . 1 1 52 52 ILE H H 1 8.913 0.03 . 1 . . . . 52 ILE HN . 15028 1 526 . 1 1 52 52 ILE HA H 1 5.152 0.03 . 1 . . . . 52 ILE HA . 15028 1 527 . 1 1 52 52 ILE HB H 1 1.778 0.03 . 1 . . . . 52 ILE HB . 15028 1 528 . 1 1 52 52 ILE HG12 H 1 0.886 0.03 . 1 . . . . 52 ILE HG11 . 15028 1 529 . 1 1 52 52 ILE HG13 H 1 1.678 0.03 . 1 . . . . 52 ILE HG12 . 15028 1 530 . 1 1 52 52 ILE HG21 H 1 0.812 0.03 . 1 . . . . 52 ILE HG2 . 15028 1 531 . 1 1 52 52 ILE HG22 H 1 0.812 0.03 . 1 . . . . 52 ILE HG2 . 15028 1 532 . 1 1 52 52 ILE HG23 H 1 0.812 0.03 . 1 . . . . 52 ILE HG2 . 15028 1 533 . 1 1 52 52 ILE HD11 H 1 0.813 0.03 . 1 . . . . 52 ILE HD1 . 15028 1 534 . 1 1 52 52 ILE HD12 H 1 0.813 0.03 . 1 . . . . 52 ILE HD1 . 15028 1 535 . 1 1 52 52 ILE HD13 H 1 0.813 0.03 . 1 . . . . 52 ILE HD1 . 15028 1 536 . 1 1 52 52 ILE CA C 13 59.331 0.30 . 1 . . . . 52 ILE CA . 15028 1 537 . 1 1 52 52 ILE CB C 13 39.456 0.30 . 1 . . . . 52 ILE CB . 15028 1 538 . 1 1 52 52 ILE CG1 C 13 28.331 0.30 . 1 . . . . 52 ILE CG1 . 15028 1 539 . 1 1 52 52 ILE CG2 C 13 18.455 0.30 . 1 . . . . 52 ILE CG2 . 15028 1 540 . 1 1 52 52 ILE CD1 C 13 14.830 0.30 . 1 . . . . 52 ILE CD1 . 15028 1 541 . 1 1 52 52 ILE N N 15 127.789 0.30 . 1 . . . . 52 ILE N . 15028 1 542 . 1 1 53 53 VAL H H 1 8.984 0.03 . 1 . . . . 53 VAL HN . 15028 1 543 . 1 1 53 53 VAL HA H 1 5.171 0.03 . 1 . . . . 53 VAL HA . 15028 1 544 . 1 1 53 53 VAL HB H 1 1.517 0.03 . 1 . . . . 53 VAL HB . 15028 1 545 . 1 1 53 53 VAL HG11 H 1 0.543 0.03 . 2 . . . . 53 VAL HG1 . 15028 1 546 . 1 1 53 53 VAL HG12 H 1 0.543 0.03 . 2 . . . . 53 VAL HG1 . 15028 1 547 . 1 1 53 53 VAL HG13 H 1 0.543 0.03 . 2 . . . . 53 VAL HG1 . 15028 1 548 . 1 1 53 53 VAL HG21 H 1 0.562 0.03 . 2 . . . . 53 VAL HG2 . 15028 1 549 . 1 1 53 53 VAL HG22 H 1 0.562 0.03 . 2 . . . . 53 VAL HG2 . 15028 1 550 . 1 1 53 53 VAL HG23 H 1 0.562 0.03 . 2 . . . . 53 VAL HG2 . 15028 1 551 . 1 1 53 53 VAL CA C 13 58.831 0.30 . 1 . . . . 53 VAL CA . 15028 1 552 . 1 1 53 53 VAL CB C 13 34.706 0.30 . 1 . . . . 53 VAL CB . 15028 1 553 . 1 1 53 53 VAL CG1 C 13 21.456 0.30 . 1 . . . . 53 VAL CG1 . 15028 1 554 . 1 1 53 53 VAL CG2 C 13 22.206 0.30 . 1 . . . . 53 VAL CG2 . 15028 1 555 . 1 1 53 53 VAL N N 15 124.414 0.30 . 1 . . . . 53 VAL N . 15028 1 556 . 1 1 54 54 LYS H H 1 8.930 0.03 . 1 . . . . 54 LYS HN . 15028 1 557 . 1 1 54 54 LYS HA H 1 5.158 0.03 . 1 . . . . 54 LYS HA . 15028 1 558 . 1 1 54 54 LYS HB2 H 1 1.655 0.03 . 2 . . . . 54 LYS HB1 . 15028 1 559 . 1 1 54 54 LYS HB3 H 1 1.748 0.03 . 2 . . . . 54 LYS HB2 . 15028 1 560 . 1 1 54 54 LYS HG2 H 1 1.400 0.03 . 2 . . . . 54 LYS HG2 . 15028 1 561 . 1 1 54 54 LYS HD2 H 1 1.215 0.03 . 2 . . . . 54 LYS HD1 . 15028 1 562 . 1 1 54 54 LYS HD3 H 1 1.353 0.03 . 2 . . . . 54 LYS HD2 . 15028 1 563 . 1 1 54 54 LYS HE2 H 1 2.219 0.03 . 2 . . . . 54 LYS HE2 . 15028 1 564 . 1 1 54 54 LYS CA C 13 55.081 0.30 . 1 . . . . 54 LYS CA . 15028 1 565 . 1 1 54 54 LYS CB C 13 35.331 0.30 . 1 . . . . 54 LYS CB . 15028 1 566 . 1 1 54 54 LYS CG C 13 24.206 0.30 . 1 . . . . 54 LYS CG . 15028 1 567 . 1 1 54 54 LYS CD C 13 29.456 0.30 . 1 . . . . 54 LYS CD . 15028 1 568 . 1 1 54 54 LYS CE C 13 40.956 0.30 . 1 . . . . 54 LYS CE . 15028 1 569 . 1 1 54 54 LYS N N 15 124.414 0.30 . 1 . . . . 54 LYS N . 15028 1 570 . 1 1 55 55 ILE H H 1 9.188 0.03 . 1 . . . . 55 ILE HN . 15028 1 571 . 1 1 55 55 ILE HA H 1 4.653 0.03 . 1 . . . . 55 ILE HA . 15028 1 572 . 1 1 55 55 ILE HB H 1 1.248 0.03 . 1 . . . . 55 ILE HB . 15028 1 573 . 1 1 55 55 ILE HG12 H 1 1.390 0.03 . 1 . . . . 55 ILE HG11 . 15028 1 574 . 1 1 55 55 ILE HG13 H 1 0.623 0.03 . 1 . . . . 55 ILE HG12 . 15028 1 575 . 1 1 55 55 ILE HG21 H 1 0.298 0.03 . 1 . . . . 55 ILE HG2 . 15028 1 576 . 1 1 55 55 ILE HG22 H 1 0.298 0.03 . 1 . . . . 55 ILE HG2 . 15028 1 577 . 1 1 55 55 ILE HG23 H 1 0.298 0.03 . 1 . . . . 55 ILE HG2 . 15028 1 578 . 1 1 55 55 ILE HD11 H 1 0.396 0.03 . 1 . . . . 55 ILE HD1 . 15028 1 579 . 1 1 55 55 ILE HD12 H 1 0.396 0.03 . 1 . . . . 55 ILE HD1 . 15028 1 580 . 1 1 55 55 ILE HD13 H 1 0.396 0.03 . 1 . . . . 55 ILE HD1 . 15028 1 581 . 1 1 55 55 ILE CA C 13 59.831 0.30 . 1 . . . . 55 ILE CA . 15028 1 582 . 1 1 55 55 ILE CB C 13 41.581 0.30 . 1 . . . . 55 ILE CB . 15028 1 583 . 1 1 55 55 ILE CG1 C 13 28.831 0.30 . 1 . . . . 55 ILE CG1 . 15028 1 584 . 1 1 55 55 ILE CG2 C 13 16.330 0.30 . 1 . . . . 55 ILE CG2 . 15028 1 585 . 1 1 55 55 ILE CD1 C 13 14.955 0.30 . 1 . . . . 55 ILE CD1 . 15028 1 586 . 1 1 55 55 ILE N N 15 121.777 0.30 . 1 . . . . 55 ILE N . 15028 1 587 . 1 1 56 56 ASP H H 1 8.421 0.03 . 1 . . . . 56 ASP HN . 15028 1 588 . 1 1 56 56 ASP HA H 1 3.954 0.03 . 1 . . . . 56 ASP HA . 15028 1 589 . 1 1 56 56 ASP HB2 H 1 2.203 0.03 . 2 . . . . 56 ASP HB1 . 15028 1 590 . 1 1 56 56 ASP HB3 H 1 2.504 0.03 . 2 . . . . 56 ASP HB2 . 15028 1 591 . 1 1 56 56 ASP CA C 13 52.081 0.30 . 1 . . . . 56 ASP CA . 15028 1 592 . 1 1 56 56 ASP CB C 13 40.331 0.30 . 1 . . . . 56 ASP CB . 15028 1 593 . 1 1 56 56 ASP N N 15 128.211 0.30 . 1 . . . . 56 ASP N . 15028 1 594 . 1 1 57 57 VAL H H 1 8.987 0.03 . 1 . . . . 57 VAL HN . 15028 1 595 . 1 1 57 57 VAL HA H 1 4.167 0.03 . 1 . . . . 57 VAL HA . 15028 1 596 . 1 1 57 57 VAL HB H 1 2.343 0.03 . 1 . . . . 57 VAL HB . 15028 1 597 . 1 1 57 57 VAL HG11 H 1 0.936 0.03 . 2 . . . . 57 VAL HG1 . 15028 1 598 . 1 1 57 57 VAL HG12 H 1 0.936 0.03 . 2 . . . . 57 VAL HG1 . 15028 1 599 . 1 1 57 57 VAL HG13 H 1 0.936 0.03 . 2 . . . . 57 VAL HG1 . 15028 1 600 . 1 1 57 57 VAL HG21 H 1 1.270 0.03 . 2 . . . . 57 VAL HG2 . 15028 1 601 . 1 1 57 57 VAL HG22 H 1 1.270 0.03 . 2 . . . . 57 VAL HG2 . 15028 1 602 . 1 1 57 57 VAL HG23 H 1 1.270 0.03 . 2 . . . . 57 VAL HG2 . 15028 1 603 . 1 1 57 57 VAL CA C 13 63.581 0.30 . 1 . . . . 57 VAL CA . 15028 1 604 . 1 1 57 57 VAL CB C 13 31.331 0.30 . 1 . . . . 57 VAL CB . 15028 1 605 . 1 1 57 57 VAL CG1 C 13 19.081 0.30 . 1 . . . . 57 VAL CG1 . 15028 1 606 . 1 1 57 57 VAL CG2 C 13 24.456 0.30 . 1 . . . . 57 VAL CG2 . 15028 1 607 . 1 1 57 57 VAL N N 15 121.777 0.30 . 1 . . . . 57 VAL N . 15028 1 608 . 1 1 58 58 ASP H H 1 8.897 0.03 . 1 . . . . 58 ASP HN . 15028 1 609 . 1 1 58 58 ASP HA H 1 4.606 0.03 . 1 . . . . 58 ASP HA . 15028 1 610 . 1 1 58 58 ASP HB2 H 1 2.606 0.03 . 2 . . . . 58 ASP HB1 . 15028 1 611 . 1 1 58 58 ASP HB3 H 1 3.150 0.03 . 2 . . . . 58 ASP HB2 . 15028 1 612 . 1 1 58 58 ASP CA C 13 56.706 0.30 . 1 . . . . 58 ASP CA . 15028 1 613 . 1 1 58 58 ASP CB C 13 40.206 0.30 . 1 . . . . 58 ASP CB . 15028 1 614 . 1 1 58 58 ASP N N 15 123.254 0.30 . 1 . . . . 58 ASP N . 15028 1 615 . 1 1 59 59 GLU H H 1 7.052 0.03 . 1 . . . . 59 GLU HN . 15028 1 616 . 1 1 59 59 GLU HA H 1 4.327 0.03 . 1 . . . . 59 GLU HA . 15028 1 617 . 1 1 59 59 GLU HB2 H 1 1.747 0.03 . 2 . . . . 59 GLU HB1 . 15028 1 618 . 1 1 59 59 GLU HB3 H 1 2.169 0.03 . 2 . . . . 59 GLU HB2 . 15028 1 619 . 1 1 59 59 GLU HG2 H 1 2.163 0.03 . 2 . . . . 59 GLU HG1 . 15028 1 620 . 1 1 59 59 GLU HG3 H 1 2.298 0.03 . 2 . . . . 59 GLU HG2 . 15028 1 621 . 1 1 59 59 GLU CA C 13 56.206 0.30 . 1 . . . . 59 GLU CA . 15028 1 622 . 1 1 59 59 GLU CB C 13 32.206 0.30 . 1 . . . . 59 GLU CB . 15028 1 623 . 1 1 59 59 GLU CG C 13 36.456 0.30 . 1 . . . . 59 GLU CG . 15028 1 624 . 1 1 59 59 GLU N N 15 116.398 0.30 . 1 . . . . 59 GLU N . 15028 1 625 . 1 1 60 60 ASN H H 1 7.503 0.03 . 1 . . . . 60 ASN HN . 15028 1 626 . 1 1 60 60 ASN HA H 1 5.271 0.03 . 1 . . . . 60 ASN HA . 15028 1 627 . 1 1 60 60 ASN HB2 H 1 2.585 0.03 . 2 . . . . 60 ASN HB1 . 15028 1 628 . 1 1 60 60 ASN HB3 H 1 2.760 0.03 . 2 . . . . 60 ASN HB2 . 15028 1 629 . 1 1 60 60 ASN HD21 H 1 8.146 0.03 . 2 . . . . 60 ASN HD21 . 15028 1 630 . 1 1 60 60 ASN HD22 H 1 7.533 0.03 . 2 . . . . 60 ASN HD22 . 15028 1 631 . 1 1 60 60 ASN CA C 13 52.956 0.30 . 1 . . . . 60 ASN CA . 15028 1 632 . 1 1 60 60 ASN CB C 13 40.081 0.30 . 1 . . . . 60 ASN CB . 15028 1 633 . 1 1 60 60 ASN N N 15 119.141 0.30 . 1 . . . . 60 ASN N . 15028 1 634 . 1 1 60 60 ASN ND2 N 15 121.461 0.30 . 1 . . . . 60 ASN ND2 . 15028 1 635 . 1 1 61 61 GLN H H 1 8.563 0.03 . 1 . . . . 61 GLN HN . 15028 1 636 . 1 1 61 61 GLN HA H 1 4.219 0.03 . 1 . . . . 61 GLN HA . 15028 1 637 . 1 1 61 61 GLN HB2 H 1 2.086 0.03 . 2 . . . . 61 GLN HB1 . 15028 1 638 . 1 1 61 61 GLN HB3 H 1 2.188 0.03 . 2 . . . . 61 GLN HB2 . 15028 1 639 . 1 1 61 61 GLN HG2 H 1 2.432 0.03 . 2 . . . . 61 GLN HG1 . 15028 1 640 . 1 1 61 61 GLN HG3 H 1 2.545 0.03 . 2 . . . . 61 GLN HG2 . 15028 1 641 . 1 1 61 61 GLN HE21 H 1 6.793 0.03 . 2 . . . . 61 GLN HE21 . 15028 1 642 . 1 1 61 61 GLN HE22 H 1 7.762 0.03 . 2 . . . . 61 GLN HE22 . 15028 1 643 . 1 1 61 61 GLN CA C 13 58.081 0.30 . 1 . . . . 61 GLN CA . 15028 1 644 . 1 1 61 61 GLN CB C 13 29.831 0.30 . 1 . . . . 61 GLN CB . 15028 1 645 . 1 1 61 61 GLN CG C 13 34.581 0.30 . 1 . . . . 61 GLN CG . 15028 1 646 . 1 1 61 61 GLN N N 15 119.773 0.30 . 1 . . . . 61 GLN N . 15028 1 647 . 1 1 61 61 GLN NE2 N 15 113.129 0.30 . 1 . . . . 61 GLN NE2 . 15028 1 648 . 1 1 62 62 GLU H H 1 9.557 0.03 . 1 . . . . 62 GLU HN . 15028 1 649 . 1 1 62 62 GLU HA H 1 4.051 0.03 . 1 . . . . 62 GLU HA . 15028 1 650 . 1 1 62 62 GLU HB2 H 1 1.940 0.03 . 2 . . . . 62 GLU HB2 . 15028 1 651 . 1 1 62 62 GLU HG2 H 1 2.143 0.03 . 2 . . . . 62 GLU HG1 . 15028 1 652 . 1 1 62 62 GLU HG3 H 1 2.327 0.03 . 2 . . . . 62 GLU HG2 . 15028 1 653 . 1 1 62 62 GLU CA C 13 59.831 0.30 . 1 . . . . 62 GLU CA . 15028 1 654 . 1 1 62 62 GLU CB C 13 29.456 0.30 . 1 . . . . 62 GLU CB . 15028 1 655 . 1 1 62 62 GLU CG C 13 36.331 0.30 . 1 . . . . 62 GLU CG . 15028 1 656 . 1 1 62 62 GLU N N 15 122.726 0.30 . 1 . . . . 62 GLU N . 15028 1 657 . 1 1 63 63 THR H H 1 8.918 0.03 . 1 . . . . 63 THR HN . 15028 1 658 . 1 1 63 63 THR HA H 1 3.830 0.03 . 1 . . . . 63 THR HA . 15028 1 659 . 1 1 63 63 THR HB H 1 3.693 0.03 . 1 . . . . 63 THR HB . 15028 1 660 . 1 1 63 63 THR HG21 H 1 0.479 0.03 . 1 . . . . 63 THR HG2 . 15028 1 661 . 1 1 63 63 THR HG22 H 1 0.479 0.03 . 1 . . . . 63 THR HG2 . 15028 1 662 . 1 1 63 63 THR HG23 H 1 0.479 0.03 . 1 . . . . 63 THR HG2 . 15028 1 663 . 1 1 63 63 THR CA C 13 67.831 0.30 . 1 . . . . 63 THR CA . 15028 1 664 . 1 1 63 63 THR CB C 13 68.206 0.30 . 1 . . . . 63 THR CB . 15028 1 665 . 1 1 63 63 THR CG2 C 13 21.456 0.30 . 1 . . . . 63 THR CG2 . 15028 1 666 . 1 1 63 63 THR N N 15 119.246 0.30 . 1 . . . . 63 THR N . 15028 1 667 . 1 1 64 64 ALA H H 1 7.749 0.03 . 1 . . . . 64 ALA HN . 15028 1 668 . 1 1 64 64 ALA HA H 1 3.735 0.03 . 1 . . . . 64 ALA HA . 15028 1 669 . 1 1 64 64 ALA HB1 H 1 1.393 0.03 . 1 . . . . 64 ALA HB . 15028 1 670 . 1 1 64 64 ALA HB2 H 1 1.393 0.03 . 1 . . . . 64 ALA HB . 15028 1 671 . 1 1 64 64 ALA HB3 H 1 1.393 0.03 . 1 . . . . 64 ALA HB . 15028 1 672 . 1 1 64 64 ALA CA C 13 55.456 0.30 . 1 . . . . 64 ALA CA . 15028 1 673 . 1 1 64 64 ALA CB C 13 17.705 0.30 . 1 . . . . 64 ALA CB . 15028 1 674 . 1 1 64 64 ALA N N 15 122.094 0.30 . 1 . . . . 64 ALA N . 15028 1 675 . 1 1 65 65 GLY H H 1 8.001 0.03 . 1 . . . . 65 GLY HN . 15028 1 676 . 1 1 65 65 GLY HA2 H 1 3.866 0.03 . 2 . . . . 65 GLY HA2 . 15028 1 677 . 1 1 65 65 GLY CA C 13 46.956 0.30 . 1 . . . . 65 GLY CA . 15028 1 678 . 1 1 65 65 GLY N N 15 130.742 0.30 . 1 . . . . 65 GLY N . 15028 1 679 . 1 1 66 66 LYS H H 1 7.954 0.03 . 1 . . . . 66 LYS HN . 15028 1 680 . 1 1 66 66 LYS HA H 1 3.877 0.03 . 1 . . . . 66 LYS HA . 15028 1 681 . 1 1 66 66 LYS HB2 H 1 1.651 0.03 . 2 . . . . 66 LYS HB1 . 15028 1 682 . 1 1 66 66 LYS HB3 H 1 1.799 0.03 . 2 . . . . 66 LYS HB2 . 15028 1 683 . 1 1 66 66 LYS HG2 H 1 0.733 0.03 . 2 . . . . 66 LYS HG1 . 15028 1 684 . 1 1 66 66 LYS HG3 H 1 1.200 0.03 . 2 . . . . 66 LYS HG2 . 15028 1 685 . 1 1 66 66 LYS HD2 H 1 1.468 0.03 . 2 . . . . 66 LYS HD1 . 15028 1 686 . 1 1 66 66 LYS HD3 H 1 1.529 0.03 . 2 . . . . 66 LYS HD2 . 15028 1 687 . 1 1 66 66 LYS HE2 H 1 2.814 0.03 . 2 . . . . 66 LYS HE2 . 15028 1 688 . 1 1 66 66 LYS CA C 13 59.206 0.30 . 1 . . . . 66 LYS CA . 15028 1 689 . 1 1 66 66 LYS CB C 13 32.331 0.30 . 1 . . . . 66 LYS CB . 15028 1 690 . 1 1 66 66 LYS CG C 13 24.706 0.30 . 1 . . . . 66 LYS CG . 15028 1 691 . 1 1 66 66 LYS CD C 13 29.581 0.30 . 1 . . . . 66 LYS CD . 15028 1 692 . 1 1 66 66 LYS CE C 13 42.081 0.30 . 1 . . . . 66 LYS CE . 15028 1 693 . 1 1 66 66 LYS N N 15 123.676 0.30 . 1 . . . . 66 LYS N . 15028 1 694 . 1 1 67 67 TYR H H 1 7.172 0.03 . 1 . . . . 67 TYR HN . 15028 1 695 . 1 1 67 67 TYR HA H 1 4.349 0.03 . 1 . . . . 67 TYR HA . 15028 1 696 . 1 1 67 67 TYR HB2 H 1 2.143 0.03 . 2 . . . . 67 TYR HB1 . 15028 1 697 . 1 1 67 67 TYR HB3 H 1 3.187 0.03 . 2 . . . . 67 TYR HB2 . 15028 1 698 . 1 1 67 67 TYR CA C 13 58.706 0.30 . 1 . . . . 67 TYR CA . 15028 1 699 . 1 1 67 67 TYR CB C 13 38.331 0.30 . 1 . . . . 67 TYR CB . 15028 1 700 . 1 1 67 67 TYR N N 15 113.445 0.30 . 1 . . . . 67 TYR N . 15028 1 701 . 1 1 68 68 GLY H H 1 7.619 0.03 . 1 . . . . 68 GLY HN . 15028 1 702 . 1 1 68 68 GLY HA2 H 1 3.765 0.03 . 2 . . . . 68 GLY HA1 . 15028 1 703 . 1 1 68 68 GLY HA3 H 1 3.837 0.03 . 2 . . . . 68 GLY HA2 . 15028 1 704 . 1 1 68 68 GLY CA C 13 46.956 0.30 . 1 . . . . 68 GLY CA . 15028 1 705 . 1 1 68 68 GLY N N 15 109.754 0.30 . 1 . . . . 68 GLY N . 15028 1 706 . 1 1 69 69 VAL H H 1 7.894 0.03 . 1 . . . . 69 VAL HN . 15028 1 707 . 1 1 69 69 VAL HA H 1 3.600 0.03 . 1 . . . . 69 VAL HA . 15028 1 708 . 1 1 69 69 VAL HB H 1 1.632 0.03 . 1 . . . . 69 VAL HB . 15028 1 709 . 1 1 69 69 VAL HG11 H 1 0.088 0.03 . 2 . . . . 69 VAL HG1 . 15028 1 710 . 1 1 69 69 VAL HG12 H 1 0.088 0.03 . 2 . . . . 69 VAL HG1 . 15028 1 711 . 1 1 69 69 VAL HG13 H 1 0.088 0.03 . 2 . . . . 69 VAL HG1 . 15028 1 712 . 1 1 69 69 VAL HG21 H 1 0.767 0.03 . 2 . . . . 69 VAL HG2 . 15028 1 713 . 1 1 69 69 VAL HG22 H 1 0.767 0.03 . 2 . . . . 69 VAL HG2 . 15028 1 714 . 1 1 69 69 VAL HG23 H 1 0.767 0.03 . 2 . . . . 69 VAL HG2 . 15028 1 715 . 1 1 69 69 VAL CA C 13 63.956 0.30 . 1 . . . . 69 VAL CA . 15028 1 716 . 1 1 69 69 VAL CB C 13 31.206 0.30 . 1 . . . . 69 VAL CB . 15028 1 717 . 1 1 69 69 VAL CG1 C 13 20.581 0.30 . 1 . . . . 69 VAL CG1 . 15028 1 718 . 1 1 69 69 VAL CG2 C 13 21.331 0.30 . 1 . . . . 69 VAL CG2 . 15028 1 719 . 1 1 69 69 VAL N N 15 120.301 0.30 . 1 . . . . 69 VAL N . 15028 1 720 . 1 1 70 70 MET H H 1 8.189 0.03 . 1 . . . . 70 MET HN . 15028 1 721 . 1 1 70 70 MET HA H 1 4.734 0.03 . 1 . . . . 70 MET HA . 15028 1 722 . 1 1 70 70 MET HB2 H 1 1.982 0.03 . 2 . . . . 70 MET HB1 . 15028 1 723 . 1 1 70 70 MET HB3 H 1 2.150 0.03 . 2 . . . . 70 MET HB2 . 15028 1 724 . 1 1 70 70 MET HG2 H 1 2.471 0.03 . 2 . . . . 70 MET HG1 . 15028 1 725 . 1 1 70 70 MET HG3 H 1 2.612 0.03 . 2 . . . . 70 MET HG2 . 15028 1 726 . 1 1 70 70 MET HE1 H 1 2.037 0.03 . 1 . . . . 70 MET HE1 . 15028 1 727 . 1 1 70 70 MET HE2 H 1 2.037 0.03 . 1 . . . . 70 MET HE1 . 15028 1 728 . 1 1 70 70 MET HE3 H 1 2.037 0.03 . 1 . . . . 70 MET HE1 . 15028 1 729 . 1 1 70 70 MET CA C 13 55.087 0.30 . 1 . . . . 70 MET CA . 15028 1 730 . 1 1 70 70 MET CB C 13 34.331 0.30 . 1 . . . . 70 MET CB . 15028 1 731 . 1 1 70 70 MET CG C 13 31.956 0.30 . 1 . . . . 70 MET CG . 15028 1 732 . 1 1 70 70 MET CE C 13 16.830 0.30 . 1 . . . . 70 MET CE . 15028 1 733 . 1 1 70 70 MET N N 15 125.047 0.30 . 1 . . . . 70 MET N . 15028 1 734 . 1 1 71 71 SER H H 1 7.835 0.03 . 1 . . . . 71 SER HN . 15028 1 735 . 1 1 71 71 SER HA H 1 5.006 0.03 . 1 . . . . 71 SER HA . 15028 1 736 . 1 1 71 71 SER HB2 H 1 3.391 0.03 . 2 . . . . 71 SER HB1 . 15028 1 737 . 1 1 71 71 SER HB3 H 1 3.604 0.03 . 2 . . . . 71 SER HB2 . 15028 1 738 . 1 1 71 71 SER CA C 13 57.456 0.30 . 1 . . . . 71 SER CA . 15028 1 739 . 1 1 71 71 SER CB C 13 66.059 0.30 . 1 . . . . 71 SER CB . 15028 1 740 . 1 1 71 71 SER N N 15 114.605 0.30 . 1 . . . . 71 SER N . 15028 1 741 . 1 1 72 72 ILE H H 1 8.750 0.03 . 1 . . . . 72 ILE HN . 15028 1 742 . 1 1 72 72 ILE HA H 1 4.965 0.03 . 1 . . . . 72 ILE HA . 15028 1 743 . 1 1 72 72 ILE HB H 1 1.912 0.03 . 1 . . . . 72 ILE HB . 15028 1 744 . 1 1 72 72 ILE HG12 H 1 1.104 0.03 . 1 . . . . 72 ILE HG11 . 15028 1 745 . 1 1 72 72 ILE HG13 H 1 1.587 0.03 . 1 . . . . 72 ILE HG12 . 15028 1 746 . 1 1 72 72 ILE HG21 H 1 0.812 0.03 . 1 . . . . 72 ILE HG2 . 15028 1 747 . 1 1 72 72 ILE HG22 H 1 0.812 0.03 . 1 . . . . 72 ILE HG2 . 15028 1 748 . 1 1 72 72 ILE HG23 H 1 0.812 0.03 . 1 . . . . 72 ILE HG2 . 15028 1 749 . 1 1 72 72 ILE HD11 H 1 0.347 0.03 . 1 . . . . 72 ILE HD1 . 15028 1 750 . 1 1 72 72 ILE HD12 H 1 0.347 0.03 . 1 . . . . 72 ILE HD1 . 15028 1 751 . 1 1 72 72 ILE HD13 H 1 0.347 0.03 . 1 . . . . 72 ILE HD1 . 15028 1 752 . 1 1 72 72 ILE CA C 13 57.706 0.30 . 1 . . . . 72 ILE CA . 15028 1 753 . 1 1 72 72 ILE CB C 13 41.331 0.30 . 1 . . . . 72 ILE CB . 15028 1 754 . 1 1 72 72 ILE CG1 C 13 25.206 0.30 . 1 . . . . 72 ILE CG1 . 15028 1 755 . 1 1 72 72 ILE CG2 C 13 19.956 0.30 . 1 . . . . 72 ILE CG2 . 15028 1 756 . 1 1 72 72 ILE CD1 C 13 15.080 0.30 . 1 . . . . 72 ILE CD1 . 15028 1 757 . 1 1 72 72 ILE N N 15 113.972 0.30 . 1 . . . . 72 ILE N . 15028 1 758 . 1 1 73 73 PRO HA H 1 5.567 0.03 . 1 . . . . 73 PRO HA . 15028 1 759 . 1 1 73 73 PRO HB2 H 1 2.050 0.03 . 2 . . . . 73 PRO HB2 . 15028 1 760 . 1 1 73 73 PRO HG2 H 1 1.900 0.03 . 2 . . . . 73 PRO HG2 . 15028 1 761 . 1 1 73 73 PRO HD2 H 1 3.125 0.03 . 2 . . . . 73 PRO HD1 . 15028 1 762 . 1 1 73 73 PRO HD3 H 1 3.989 0.03 . 2 . . . . 73 PRO HD2 . 15028 1 763 . 1 1 73 73 PRO CA C 13 62.206 0.30 . 1 . . . . 73 PRO CA . 15028 1 764 . 1 1 73 73 PRO CB C 13 33.970 0.30 . 1 . . . . 73 PRO CB . 15028 1 765 . 1 1 73 73 PRO CG C 13 24.181 0.30 . 1 . . . . 73 PRO CG . 15028 1 766 . 1 1 73 73 PRO CD C 13 49.935 0.30 . 1 . . . . 73 PRO CD . 15028 1 767 . 1 1 74 74 THR H H 1 8.415 0.03 . 1 . . . . 74 THR HN . 15028 1 768 . 1 1 74 74 THR HA H 1 4.916 0.03 . 1 . . . . 74 THR HA . 15028 1 769 . 1 1 74 74 THR HB H 1 3.951 0.03 . 1 . . . . 74 THR HB . 15028 1 770 . 1 1 74 74 THR HG21 H 1 1.095 0.03 . 1 . . . . 74 THR HG2 . 15028 1 771 . 1 1 74 74 THR HG22 H 1 1.095 0.03 . 1 . . . . 74 THR HG2 . 15028 1 772 . 1 1 74 74 THR HG23 H 1 1.095 0.03 . 1 . . . . 74 THR HG2 . 15028 1 773 . 1 1 74 74 THR CA C 13 64.206 0.30 . 1 . . . . 74 THR CA . 15028 1 774 . 1 1 74 74 THR CB C 13 72.082 0.30 . 1 . . . . 74 THR CB . 15028 1 775 . 1 1 74 74 THR CG2 C 13 21.331 0.30 . 1 . . . . 74 THR CG2 . 15028 1 776 . 1 1 74 74 THR N N 15 120.406 0.30 . 1 . . . . 74 THR N . 15028 1 777 . 1 1 75 75 LEU H H 1 9.560 0.03 . 1 . . . . 75 LEU HN . 15028 1 778 . 1 1 75 75 LEU HA H 1 5.978 0.03 . 1 . . . . 75 LEU HA . 15028 1 779 . 1 1 75 75 LEU HB2 H 1 1.353 0.03 . 2 . . . . 75 LEU HB1 . 15028 1 780 . 1 1 75 75 LEU HB3 H 1 1.749 0.03 . 2 . . . . 75 LEU HB2 . 15028 1 781 . 1 1 75 75 LEU HG H 1 1.732 0.03 . 1 . . . . 75 LEU HG . 15028 1 782 . 1 1 75 75 LEU HD11 H 1 0.898 0.03 . 2 . . . . 75 LEU HD1 . 15028 1 783 . 1 1 75 75 LEU HD12 H 1 0.898 0.03 . 2 . . . . 75 LEU HD1 . 15028 1 784 . 1 1 75 75 LEU HD13 H 1 0.898 0.03 . 2 . . . . 75 LEU HD1 . 15028 1 785 . 1 1 75 75 LEU HD21 H 1 0.755 0.03 . 2 . . . . 75 LEU HD2 . 15028 1 786 . 1 1 75 75 LEU HD22 H 1 0.755 0.03 . 2 . . . . 75 LEU HD2 . 15028 1 787 . 1 1 75 75 LEU HD23 H 1 0.755 0.03 . 2 . . . . 75 LEU HD2 . 15028 1 788 . 1 1 75 75 LEU CA C 13 52.706 0.30 . 1 . . . . 75 LEU CA . 15028 1 789 . 1 1 75 75 LEU CB C 13 42.706 0.30 . 1 . . . . 75 LEU CB . 15028 1 790 . 1 1 75 75 LEU CG C 13 28.831 0.30 . 1 . . . . 75 LEU CG . 15028 1 791 . 1 1 75 75 LEU CD1 C 13 25.331 0.30 . 1 . . . . 75 LEU CD1 . 15028 1 792 . 1 1 75 75 LEU CD2 C 13 24.581 0.30 . 1 . . . . 75 LEU CD2 . 15028 1 793 . 1 1 75 75 LEU N N 15 129.687 0.30 . 1 . . . . 75 LEU N . 15028 1 794 . 1 1 76 76 LEU H H 1 9.016 0.03 . 1 . . . . 76 LEU HN . 15028 1 795 . 1 1 76 76 LEU HA H 1 5.311 0.03 . 1 . . . . 76 LEU HA . 15028 1 796 . 1 1 76 76 LEU HB2 H 1 1.454 0.03 . 2 . . . . 76 LEU HB1 . 15028 1 797 . 1 1 76 76 LEU HB3 H 1 1.711 0.03 . 2 . . . . 76 LEU HB2 . 15028 1 798 . 1 1 76 76 LEU HG H 1 0.635 0.03 . 1 . . . . 76 LEU HG . 15028 1 799 . 1 1 76 76 LEU HD11 H 1 0.904 0.03 . 2 . . . . 76 LEU HD1 . 15028 1 800 . 1 1 76 76 LEU HD12 H 1 0.904 0.03 . 2 . . . . 76 LEU HD1 . 15028 1 801 . 1 1 76 76 LEU HD13 H 1 0.904 0.03 . 2 . . . . 76 LEU HD1 . 15028 1 802 . 1 1 76 76 LEU HD21 H 1 0.904 0.03 . 2 . . . . 76 LEU HD2 . 15028 1 803 . 1 1 76 76 LEU HD22 H 1 0.904 0.03 . 2 . . . . 76 LEU HD2 . 15028 1 804 . 1 1 76 76 LEU HD23 H 1 0.904 0.03 . 2 . . . . 76 LEU HD2 . 15028 1 805 . 1 1 76 76 LEU CA C 13 52.581 0.30 . 1 . . . . 76 LEU CA . 15028 1 806 . 1 1 76 76 LEU CB C 13 44.831 0.30 . 1 . . . . 76 LEU CB . 15028 1 807 . 1 1 76 76 LEU CG C 13 26.706 0.30 . 1 . . . . 76 LEU CG . 15028 1 808 . 1 1 76 76 LEU CD1 C 13 24.581 0.30 . 1 . . . . 76 LEU CD1 . 15028 1 809 . 1 1 76 76 LEU CD2 C 13 24.581 0.30 . 1 . . . . 76 LEU CD2 . 15028 1 810 . 1 1 76 76 LEU N N 15 120.301 0.30 . 1 . . . . 76 LEU N . 15028 1 811 . 1 1 77 77 VAL H H 1 8.648 0.03 . 1 . . . . 77 VAL HN . 15028 1 812 . 1 1 77 77 VAL HA H 1 4.935 0.03 . 1 . . . . 77 VAL HA . 15028 1 813 . 1 1 77 77 VAL HB H 1 1.660 0.03 . 1 . . . . 77 VAL HB . 15028 1 814 . 1 1 77 77 VAL HG11 H 1 0.609 0.03 . 2 . . . . 77 VAL HG1 . 15028 1 815 . 1 1 77 77 VAL HG12 H 1 0.609 0.03 . 2 . . . . 77 VAL HG1 . 15028 1 816 . 1 1 77 77 VAL HG13 H 1 0.609 0.03 . 2 . . . . 77 VAL HG1 . 15028 1 817 . 1 1 77 77 VAL HG21 H 1 0.715 0.03 . 2 . . . . 77 VAL HG2 . 15028 1 818 . 1 1 77 77 VAL HG22 H 1 0.715 0.03 . 2 . . . . 77 VAL HG2 . 15028 1 819 . 1 1 77 77 VAL HG23 H 1 0.715 0.03 . 2 . . . . 77 VAL HG2 . 15028 1 820 . 1 1 77 77 VAL CA C 13 61.456 0.30 . 1 . . . . 77 VAL CA . 15028 1 821 . 1 1 77 77 VAL CB C 13 31.831 0.30 . 1 . . . . 77 VAL CB . 15028 1 822 . 1 1 77 77 VAL CG1 C 13 21.331 0.30 . 1 . . . . 77 VAL CG1 . 15028 1 823 . 1 1 77 77 VAL CG2 C 13 21.581 0.30 . 1 . . . . 77 VAL CG2 . 15028 1 824 . 1 1 77 77 VAL N N 15 121.566 0.30 . 1 . . . . 77 VAL N . 15028 1 825 . 1 1 78 78 LEU H H 1 9.703 0.03 . 1 . . . . 78 LEU HN . 15028 1 826 . 1 1 78 78 LEU HA H 1 5.373 0.03 . 1 . . . . 78 LEU HA . 15028 1 827 . 1 1 78 78 LEU HB2 H 1 1.357 0.03 . 2 . . . . 78 LEU HB1 . 15028 1 828 . 1 1 78 78 LEU HB3 H 1 1.576 0.03 . 2 . . . . 78 LEU HB2 . 15028 1 829 . 1 1 78 78 LEU HG H 1 1.368 0.03 . 1 . . . . 78 LEU HG . 15028 1 830 . 1 1 78 78 LEU HD11 H 1 0.683 0.03 . 2 . . . . 78 LEU HD1 . 15028 1 831 . 1 1 78 78 LEU HD12 H 1 0.683 0.03 . 2 . . . . 78 LEU HD1 . 15028 1 832 . 1 1 78 78 LEU HD13 H 1 0.683 0.03 . 2 . . . . 78 LEU HD1 . 15028 1 833 . 1 1 78 78 LEU HD21 H 1 0.720 0.03 . 2 . . . . 78 LEU HD2 . 15028 1 834 . 1 1 78 78 LEU HD22 H 1 0.720 0.03 . 2 . . . . 78 LEU HD2 . 15028 1 835 . 1 1 78 78 LEU HD23 H 1 0.720 0.03 . 2 . . . . 78 LEU HD2 . 15028 1 836 . 1 1 78 78 LEU CA C 13 54.331 0.30 . 1 . . . . 78 LEU CA . 15028 1 837 . 1 1 78 78 LEU CB C 13 44.581 0.30 . 1 . . . . 78 LEU CB . 15028 1 838 . 1 1 78 78 LEU CG C 13 29.081 0.30 . 1 . . . . 78 LEU CG . 15028 1 839 . 1 1 78 78 LEU CD1 C 13 26.956 0.30 . 1 . . . . 78 LEU CD1 . 15028 1 840 . 1 1 78 78 LEU CD2 C 13 27.081 0.30 . 1 . . . . 78 LEU CD2 . 15028 1 841 . 1 1 78 78 LEU N N 15 129.265 0.30 . 1 . . . . 78 LEU N . 15028 1 842 . 1 1 79 79 LYS H H 1 8.916 0.03 . 1 . . . . 79 LYS HN . 15028 1 843 . 1 1 79 79 LYS HA H 1 4.976 0.03 . 1 . . . . 79 LYS HA . 15028 1 844 . 1 1 79 79 LYS HB2 H 1 1.296 0.03 . 2 . . . . 79 LYS HB1 . 15028 1 845 . 1 1 79 79 LYS HB3 H 1 1.812 0.03 . 2 . . . . 79 LYS HB2 . 15028 1 846 . 1 1 79 79 LYS HG2 H 1 1.237 0.03 . 2 . . . . 79 LYS HG1 . 15028 1 847 . 1 1 79 79 LYS HG3 H 1 1.303 0.03 . 2 . . . . 79 LYS HG2 . 15028 1 848 . 1 1 79 79 LYS HD2 H 1 1.783 0.03 . 2 . . . . 79 LYS HD2 . 15028 1 849 . 1 1 79 79 LYS HE2 H 1 3.068 0.03 . 2 . . . . 79 LYS HE2 . 15028 1 850 . 1 1 79 79 LYS CA C 13 54.831 0.30 . 1 . . . . 79 LYS CA . 15028 1 851 . 1 1 79 79 LYS CB C 13 35.581 0.30 . 1 . . . . 79 LYS CB . 15028 1 852 . 1 1 79 79 LYS CG C 13 25.456 0.30 . 1 . . . . 79 LYS CG . 15028 1 853 . 1 1 79 79 LYS CD C 13 29.956 0.30 . 1 . . . . 79 LYS CD . 15028 1 854 . 1 1 79 79 LYS CE C 13 42.456 0.30 . 1 . . . . 79 LYS CE . 15028 1 855 . 1 1 79 79 LYS N N 15 119.668 0.30 . 1 . . . . 79 LYS N . 15028 1 856 . 1 1 80 80 ASP H H 1 9.290 0.03 . 1 . . . . 80 ASP HN . 15028 1 857 . 1 1 80 80 ASP HA H 1 4.259 0.03 . 1 . . . . 80 ASP HA . 15028 1 858 . 1 1 80 80 ASP HB2 H 1 2.714 0.03 . 2 . . . . 80 ASP HB1 . 15028 1 859 . 1 1 80 80 ASP HB3 H 1 3.010 0.03 . 2 . . . . 80 ASP HB2 . 15028 1 860 . 1 1 80 80 ASP CA C 13 56.081 0.30 . 1 . . . . 80 ASP CA . 15028 1 861 . 1 1 80 80 ASP CB C 13 39.831 0.30 . 1 . . . . 80 ASP CB . 15028 1 862 . 1 1 80 80 ASP N N 15 129.687 0.30 . 1 . . . . 80 ASP N . 15028 1 863 . 1 1 81 81 GLY H H 1 9.558 0.03 . 1 . . . . 81 GLY HN . 15028 1 864 . 1 1 81 81 GLY HA2 H 1 3.595 0.03 . 2 . . . . 81 GLY HA1 . 15028 1 865 . 1 1 81 81 GLY HA3 H 1 4.213 0.03 . 2 . . . . 81 GLY HA2 . 15028 1 866 . 1 1 81 81 GLY CA C 13 45.581 0.30 . 1 . . . . 81 GLY CA . 15028 1 867 . 1 1 81 81 GLY N N 15 131.164 0.30 . 1 . . . . 81 GLY N . 15028 1 868 . 1 1 82 82 GLU H H 1 7.676 0.03 . 1 . . . . 82 GLU HN . 15028 1 869 . 1 1 82 82 GLU HA H 1 4.658 0.03 . 1 . . . . 82 GLU HA . 15028 1 870 . 1 1 82 82 GLU HB2 H 1 1.918 0.03 . 2 . . . . 82 GLU HB1 . 15028 1 871 . 1 1 82 82 GLU HB3 H 1 2.063 0.03 . 2 . . . . 82 GLU HB2 . 15028 1 872 . 1 1 82 82 GLU HG2 H 1 2.150 0.03 . 2 . . . . 82 GLU HG1 . 15028 1 873 . 1 1 82 82 GLU HG3 H 1 2.308 0.03 . 2 . . . . 82 GLU HG2 . 15028 1 874 . 1 1 82 82 GLU CA C 13 54.331 0.30 . 1 . . . . 82 GLU CA . 15028 1 875 . 1 1 82 82 GLU CB C 13 31.706 0.30 . 1 . . . . 82 GLU CB . 15028 1 876 . 1 1 82 82 GLU CG C 13 35.956 0.30 . 1 . . . . 82 GLU CG . 15028 1 877 . 1 1 82 82 GLU N N 15 120.933 0.30 . 1 . . . . 82 GLU N . 15028 1 878 . 1 1 83 83 VAL H H 1 8.981 0.03 . 1 . . . . 83 VAL HN . 15028 1 879 . 1 1 83 83 VAL HA H 1 4.054 0.03 . 1 . . . . 83 VAL HA . 15028 1 880 . 1 1 83 83 VAL HB H 1 2.103 0.03 . 1 . . . . 83 VAL HB . 15028 1 881 . 1 1 83 83 VAL HG11 H 1 0.909 0.03 . 2 . . . . 83 VAL HG1 . 15028 1 882 . 1 1 83 83 VAL HG12 H 1 0.909 0.03 . 2 . . . . 83 VAL HG1 . 15028 1 883 . 1 1 83 83 VAL HG13 H 1 0.909 0.03 . 2 . . . . 83 VAL HG1 . 15028 1 884 . 1 1 83 83 VAL HG21 H 1 1.144 0.03 . 2 . . . . 83 VAL HG2 . 15028 1 885 . 1 1 83 83 VAL HG22 H 1 1.144 0.03 . 2 . . . . 83 VAL HG2 . 15028 1 886 . 1 1 83 83 VAL HG23 H 1 1.144 0.03 . 2 . . . . 83 VAL HG2 . 15028 1 887 . 1 1 83 83 VAL CA C 13 64.706 0.30 . 1 . . . . 83 VAL CA . 15028 1 888 . 1 1 83 83 VAL CB C 13 31.831 0.30 . 1 . . . . 83 VAL CB . 15028 1 889 . 1 1 83 83 VAL CG1 C 13 22.206 0.30 . 1 . . . . 83 VAL CG1 . 15028 1 890 . 1 1 83 83 VAL CG2 C 13 23.081 0.30 . 1 . . . . 83 VAL CG2 . 15028 1 891 . 1 1 83 83 VAL N N 15 124.836 0.30 . 1 . . . . 83 VAL N . 15028 1 892 . 1 1 84 84 VAL H H 1 9.310 0.03 . 1 . . . . 84 VAL HN . 15028 1 893 . 1 1 84 84 VAL HA H 1 4.607 0.03 . 1 . . . . 84 VAL HA . 15028 1 894 . 1 1 84 84 VAL HB H 1 2.047 0.03 . 1 . . . . 84 VAL HB . 15028 1 895 . 1 1 84 84 VAL HG11 H 1 0.101 0.03 . 2 . . . . 84 VAL HG1 . 15028 1 896 . 1 1 84 84 VAL HG12 H 1 0.101 0.03 . 2 . . . . 84 VAL HG1 . 15028 1 897 . 1 1 84 84 VAL HG13 H 1 0.101 0.03 . 2 . . . . 84 VAL HG1 . 15028 1 898 . 1 1 84 84 VAL HG21 H 1 0.876 0.03 . 2 . . . . 84 VAL HG2 . 15028 1 899 . 1 1 84 84 VAL HG22 H 1 0.876 0.03 . 2 . . . . 84 VAL HG2 . 15028 1 900 . 1 1 84 84 VAL HG23 H 1 0.876 0.03 . 2 . . . . 84 VAL HG2 . 15028 1 901 . 1 1 84 84 VAL CA C 13 61.206 0.30 . 1 . . . . 84 VAL CA . 15028 1 902 . 1 1 84 84 VAL CB C 13 34.081 0.30 . 1 . . . . 84 VAL CB . 15028 1 903 . 1 1 84 84 VAL CG1 C 13 18.455 0.30 . 1 . . . . 84 VAL CG1 . 15028 1 904 . 1 1 84 84 VAL CG2 C 13 22.081 0.30 . 1 . . . . 84 VAL CG2 . 15028 1 905 . 1 1 84 84 VAL N N 15 121.461 0.30 . 1 . . . . 84 VAL N . 15028 1 906 . 1 1 85 85 GLU H H 1 7.660 0.03 . 1 . . . . 85 GLU HN . 15028 1 907 . 1 1 85 85 GLU HA H 1 4.644 0.03 . 1 . . . . 85 GLU HA . 15028 1 908 . 1 1 85 85 GLU HB2 H 1 1.766 0.03 . 2 . . . . 85 GLU HB1 . 15028 1 909 . 1 1 85 85 GLU HB3 H 1 1.929 0.03 . 2 . . . . 85 GLU HB2 . 15028 1 910 . 1 1 85 85 GLU HG2 H 1 2.179 0.03 . 2 . . . . 85 GLU HG1 . 15028 1 911 . 1 1 85 85 GLU HG3 H 1 2.397 0.03 . 2 . . . . 85 GLU HG2 . 15028 1 912 . 1 1 85 85 GLU CA C 13 56.581 0.30 . 1 . . . . 85 GLU CA . 15028 1 913 . 1 1 85 85 GLU CB C 13 33.331 0.30 . 1 . . . . 85 GLU CB . 15028 1 914 . 1 1 85 85 GLU CG C 13 35.206 0.30 . 1 . . . . 85 GLU CG . 15028 1 915 . 1 1 85 85 GLU N N 15 118.402 0.30 . 1 . . . . 85 GLU N . 15028 1 916 . 1 1 86 86 THR H H 1 8.650 0.03 . 1 . . . . 86 THR HN . 15028 1 917 . 1 1 86 86 THR HA H 1 4.851 0.03 . 1 . . . . 86 THR HA . 15028 1 918 . 1 1 86 86 THR HB H 1 3.877 0.03 . 1 . . . . 86 THR HB . 15028 1 919 . 1 1 86 86 THR HG21 H 1 1.066 0.03 . 1 . . . . 86 THR HG2 . 15028 1 920 . 1 1 86 86 THR HG22 H 1 1.066 0.03 . 1 . . . . 86 THR HG2 . 15028 1 921 . 1 1 86 86 THR HG23 H 1 1.066 0.03 . 1 . . . . 86 THR HG2 . 15028 1 922 . 1 1 86 86 THR CA C 13 62.456 0.30 . 1 . . . . 86 THR CA . 15028 1 923 . 1 1 86 86 THR CB C 13 71.332 0.30 . 1 . . . . 86 THR CB . 15028 1 924 . 1 1 86 86 THR CG2 C 13 20.581 0.30 . 1 . . . . 86 THR CG2 . 15028 1 925 . 1 1 86 86 THR N N 15 118.086 0.30 . 1 . . . . 86 THR N . 15028 1 926 . 1 1 87 87 SER H H 1 9.257 0.03 . 1 . . . . 87 SER HN . 15028 1 927 . 1 1 87 87 SER HA H 1 4.776 0.03 . 1 . . . . 87 SER HA . 15028 1 928 . 1 1 87 87 SER HB2 H 1 3.493 0.03 . 2 . . . . 87 SER HB1 . 15028 1 929 . 1 1 87 87 SER HB3 H 1 3.679 0.03 . 2 . . . . 87 SER HB2 . 15028 1 930 . 1 1 87 87 SER CA C 13 57.114 0.30 . 1 . . . . 87 SER CA . 15028 1 931 . 1 1 87 87 SER CB C 13 64.582 0.30 . 1 . . . . 87 SER CB . 15028 1 932 . 1 1 87 87 SER N N 15 120.933 0.30 . 1 . . . . 87 SER N . 15028 1 933 . 1 1 88 88 VAL H H 1 9.124 0.03 . 1 . . . . 88 VAL HN . 15028 1 934 . 1 1 88 88 VAL HA H 1 4.678 0.03 . 1 . . . . 88 VAL HA . 15028 1 935 . 1 1 88 88 VAL HB H 1 1.928 0.03 . 1 . . . . 88 VAL HB . 15028 1 936 . 1 1 88 88 VAL HG11 H 1 0.809 0.03 . 2 . . . . 88 VAL HG1 . 15028 1 937 . 1 1 88 88 VAL HG12 H 1 0.809 0.03 . 2 . . . . 88 VAL HG1 . 15028 1 938 . 1 1 88 88 VAL HG13 H 1 0.809 0.03 . 2 . . . . 88 VAL HG1 . 15028 1 939 . 1 1 88 88 VAL HG21 H 1 0.968 0.03 . 2 . . . . 88 VAL HG2 . 15028 1 940 . 1 1 88 88 VAL HG22 H 1 0.968 0.03 . 2 . . . . 88 VAL HG2 . 15028 1 941 . 1 1 88 88 VAL HG23 H 1 0.968 0.03 . 2 . . . . 88 VAL HG2 . 15028 1 942 . 1 1 88 88 VAL CA C 13 62.206 0.30 . 1 . . . . 88 VAL CA . 15028 1 943 . 1 1 88 88 VAL CB C 13 33.706 0.30 . 1 . . . . 88 VAL CB . 15028 1 944 . 1 1 88 88 VAL CG1 C 13 21.706 0.30 . 1 . . . . 88 VAL CG1 . 15028 1 945 . 1 1 88 88 VAL CG2 C 13 20.831 0.30 . 1 . . . . 88 VAL CG2 . 15028 1 946 . 1 1 88 88 VAL N N 15 131.375 0.30 . 1 . . . . 88 VAL N . 15028 1 947 . 1 1 89 89 GLY H H 1 8.478 0.03 . 1 . . . . 89 GLY HN . 15028 1 948 . 1 1 89 89 GLY HA2 H 1 3.771 0.03 . 2 . . . . 89 GLY HA1 . 15028 1 949 . 1 1 89 89 GLY HA3 H 1 4.594 0.03 . 2 . . . . 89 GLY HA2 . 15028 1 950 . 1 1 89 89 GLY CA C 13 43.081 0.30 . 1 . . . . 89 GLY CA . 15028 1 951 . 1 1 89 89 GLY N N 15 112.496 0.30 . 1 . . . . 89 GLY N . 15028 1 952 . 1 1 90 90 PHE H H 1 9.243 0.03 . 1 . . . . 90 PHE HN . 15028 1 953 . 1 1 90 90 PHE HA H 1 3.797 0.03 . 1 . . . . 90 PHE HA . 15028 1 954 . 1 1 90 90 PHE HB2 H 1 2.892 0.03 . 2 . . . . 90 PHE HB1 . 15028 1 955 . 1 1 90 90 PHE HB3 H 1 3.160 0.03 . 2 . . . . 90 PHE HB2 . 15028 1 956 . 1 1 90 90 PHE CA C 13 61.581 0.30 . 1 . . . . 90 PHE CA . 15028 1 957 . 1 1 90 90 PHE CB C 13 39.206 0.30 . 1 . . . . 90 PHE CB . 15028 1 958 . 1 1 90 90 PHE N N 15 120.195 0.30 . 1 . . . . 90 PHE N . 15028 1 959 . 1 1 91 91 LYS H H 1 5.831 0.03 . 1 . . . . 91 LYS HN . 15028 1 960 . 1 1 91 91 LYS HA H 1 4.350 0.03 . 1 . . . . 91 LYS HA . 15028 1 961 . 1 1 91 91 LYS HB2 H 1 1.141 0.03 . 2 . . . . 91 LYS HB1 . 15028 1 962 . 1 1 91 91 LYS HB3 H 1 1.557 0.03 . 2 . . . . 91 LYS HB2 . 15028 1 963 . 1 1 91 91 LYS HG2 H 1 1.204 0.03 . 2 . . . . 91 LYS HG1 . 15028 1 964 . 1 1 91 91 LYS HG3 H 1 1.274 0.03 . 2 . . . . 91 LYS HG2 . 15028 1 965 . 1 1 91 91 LYS HD2 H 1 1.202 0.03 . 2 . . . . 91 LYS HD1 . 15028 1 966 . 1 1 91 91 LYS HD3 H 1 1.273 0.03 . 2 . . . . 91 LYS HD2 . 15028 1 967 . 1 1 91 91 LYS HE2 H 1 2.844 0.03 . 2 . . . . 91 LYS HE2 . 15028 1 968 . 1 1 91 91 LYS CA C 13 52.456 0.30 . 1 . . . . 91 LYS CA . 15028 1 969 . 1 1 91 91 LYS CB C 13 36.456 0.30 . 1 . . . . 91 LYS CB . 15028 1 970 . 1 1 91 91 LYS CG C 13 24.831 0.30 . 1 . . . . 91 LYS CG . 15028 1 971 . 1 1 91 91 LYS CD C 13 29.347 0.30 . 1 . . . . 91 LYS CD . 15028 1 972 . 1 1 91 91 LYS CE C 13 42.581 0.30 . 1 . . . . 91 LYS CE . 15028 1 973 . 1 1 91 91 LYS N N 15 128.000 0.30 . 1 . . . . 91 LYS N . 15028 1 974 . 1 1 92 92 PRO HA H 1 4.404 0.03 . 1 . . . . 92 PRO HA . 15028 1 975 . 1 1 92 92 PRO HB2 H 1 2.267 0.03 . 2 . . . . 92 PRO HB1 . 15028 1 976 . 1 1 92 92 PRO HB3 H 1 2.405 0.03 . 2 . . . . 92 PRO HB2 . 15028 1 977 . 1 1 92 92 PRO HG2 H 1 1.832 0.03 . 2 . . . . 92 PRO HG1 . 15028 1 978 . 1 1 92 92 PRO HG3 H 1 2.144 0.03 . 2 . . . . 92 PRO HG2 . 15028 1 979 . 1 1 92 92 PRO HD2 H 1 3.440 0.03 . 2 . . . . 92 PRO HD1 . 15028 1 980 . 1 1 92 92 PRO HD3 H 1 3.573 0.03 . 2 . . . . 92 PRO HD2 . 15028 1 981 . 1 1 92 92 PRO CA C 13 61.081 0.30 . 1 . . . . 92 PRO CA . 15028 1 982 . 1 1 92 92 PRO CB C 13 33.081 0.30 . 1 . . . . 92 PRO CB . 15028 1 983 . 1 1 92 92 PRO CG C 13 27.456 0.30 . 1 . . . . 92 PRO CG . 15028 1 984 . 1 1 92 92 PRO CD C 13 49.956 0.30 . 1 . . . . 92 PRO CD . 15028 1 985 . 1 1 93 93 LYS H H 1 8.904 0.03 . 1 . . . . 93 LYS HN . 15028 1 986 . 1 1 93 93 LYS HA H 1 3.392 0.03 . 1 . . . . 93 LYS HA . 15028 1 987 . 1 1 93 93 LYS HB2 H 1 1.714 0.03 . 2 . . . . 93 LYS HB1 . 15028 1 988 . 1 1 93 93 LYS HB3 H 1 1.932 0.03 . 2 . . . . 93 LYS HB2 . 15028 1 989 . 1 1 93 93 LYS HG2 H 1 1.227 0.03 . 2 . . . . 93 LYS HG2 . 15028 1 990 . 1 1 93 93 LYS HD2 H 1 1.616 0.03 . 2 . . . . 93 LYS HD2 . 15028 1 991 . 1 1 93 93 LYS HE2 H 1 2.754 0.03 . 2 . . . . 93 LYS HE1 . 15028 1 992 . 1 1 93 93 LYS HE3 H 1 2.814 0.03 . 2 . . . . 93 LYS HE2 . 15028 1 993 . 1 1 93 93 LYS CA C 13 61.206 0.30 . 1 . . . . 93 LYS CA . 15028 1 994 . 1 1 93 93 LYS CB C 13 32.331 0.30 . 1 . . . . 93 LYS CB . 15028 1 995 . 1 1 93 93 LYS CG C 13 24.456 0.30 . 1 . . . . 93 LYS CG . 15028 1 996 . 1 1 93 93 LYS CD C 13 29.331 0.30 . 1 . . . . 93 LYS CD . 15028 1 997 . 1 1 93 93 LYS N N 15 120.195 0.30 . 1 . . . . 93 LYS N . 15028 1 998 . 1 1 94 94 GLU H H 1 9.612 0.03 . 1 . . . . 94 GLU HN . 15028 1 999 . 1 1 94 94 GLU HA H 1 4.078 0.03 . 1 . . . . 94 GLU HA . 15028 1 1000 . 1 1 94 94 GLU HB2 H 1 1.995 0.03 . 2 . . . . 94 GLU HB2 . 15028 1 1001 . 1 1 94 94 GLU HG2 H 1 2.308 0.03 . 2 . . . . 94 GLU HG1 . 15028 1 1002 . 1 1 94 94 GLU HG3 H 1 2.451 0.03 . 2 . . . . 94 GLU HG2 . 15028 1 1003 . 1 1 94 94 GLU CA C 13 60.456 0.30 . 1 . . . . 94 GLU CA . 15028 1 1004 . 1 1 94 94 GLU CB C 13 28.331 0.30 . 1 . . . . 94 GLU CB . 15028 1 1005 . 1 1 94 94 GLU CG C 13 36.706 0.30 . 1 . . . . 94 GLU CG . 15028 1 1006 . 1 1 94 94 GLU N N 15 116.609 0.30 . 1 . . . . 94 GLU N . 15028 1 1007 . 1 1 95 95 ALA H H 1 6.956 0.03 . 1 . . . . 95 ALA HN . 15028 1 1008 . 1 1 95 95 ALA HA H 1 4.271 0.03 . 1 . . . . 95 ALA HA . 15028 1 1009 . 1 1 95 95 ALA HB1 H 1 1.453 0.03 . 1 . . . . 95 ALA HB . 15028 1 1010 . 1 1 95 95 ALA HB2 H 1 1.453 0.03 . 1 . . . . 95 ALA HB . 15028 1 1011 . 1 1 95 95 ALA HB3 H 1 1.453 0.03 . 1 . . . . 95 ALA HB . 15028 1 1012 . 1 1 95 95 ALA CA C 13 54.081 0.30 . 1 . . . . 95 ALA CA . 15028 1 1013 . 1 1 95 95 ALA CB C 13 19.081 0.30 . 1 . . . . 95 ALA CB . 15028 1 1014 . 1 1 95 95 ALA N N 15 121.144 0.30 . 1 . . . . 95 ALA N . 15028 1 1015 . 1 1 96 96 LEU H H 1 7.513 0.03 . 1 . . . . 96 LEU HN . 15028 1 1016 . 1 1 96 96 LEU HA H 1 3.970 0.03 . 1 . . . . 96 LEU HA . 15028 1 1017 . 1 1 96 96 LEU HB2 H 1 1.109 0.03 . 2 . . . . 96 LEU HB1 . 15028 1 1018 . 1 1 96 96 LEU HB3 H 1 1.743 0.03 . 2 . . . . 96 LEU HB2 . 15028 1 1019 . 1 1 96 96 LEU HG H 1 1.511 0.03 . 1 . . . . 96 LEU HG . 15028 1 1020 . 1 1 96 96 LEU HD11 H 1 0.610 0.03 . 2 . . . . 96 LEU HD1 . 15028 1 1021 . 1 1 96 96 LEU HD12 H 1 0.610 0.03 . 2 . . . . 96 LEU HD1 . 15028 1 1022 . 1 1 96 96 LEU HD13 H 1 0.610 0.03 . 2 . . . . 96 LEU HD1 . 15028 1 1023 . 1 1 96 96 LEU HD21 H 1 0.578 0.03 . 2 . . . . 96 LEU HD2 . 15028 1 1024 . 1 1 96 96 LEU HD22 H 1 0.578 0.03 . 2 . . . . 96 LEU HD2 . 15028 1 1025 . 1 1 96 96 LEU HD23 H 1 0.578 0.03 . 2 . . . . 96 LEU HD2 . 15028 1 1026 . 1 1 96 96 LEU CA C 13 57.206 0.30 . 1 . . . . 96 LEU CA . 15028 1 1027 . 1 1 96 96 LEU CB C 13 41.831 0.30 . 1 . . . . 96 LEU CB . 15028 1 1028 . 1 1 96 96 LEU CG C 13 26.206 0.30 . 1 . . . . 96 LEU CG . 15028 1 1029 . 1 1 96 96 LEU CD1 C 13 25.706 0.30 . 1 . . . . 96 LEU CD1 . 15028 1 1030 . 1 1 96 96 LEU CD2 C 13 23.081 0.30 . 1 . . . . 96 LEU CD2 . 15028 1 1031 . 1 1 96 96 LEU N N 15 118.824 0.30 . 1 . . . . 96 LEU N . 15028 1 1032 . 1 1 97 97 GLN H H 1 8.718 0.03 . 1 . . . . 97 GLN HN . 15028 1 1033 . 1 1 97 97 GLN HA H 1 3.680 0.03 . 1 . . . . 97 GLN HA . 15028 1 1034 . 1 1 97 97 GLN HB2 H 1 2.036 0.03 . 2 . . . . 97 GLN HB2 . 15028 1 1035 . 1 1 97 97 GLN HG2 H 1 2.211 0.03 . 2 . . . . 97 GLN HG1 . 15028 1 1036 . 1 1 97 97 GLN HG3 H 1 2.293 0.03 . 2 . . . . 97 GLN HG2 . 15028 1 1037 . 1 1 97 97 GLN HE21 H 1 7.355 0.03 . 2 . . . . 97 GLN HE21 . 15028 1 1038 . 1 1 97 97 GLN HE22 H 1 6.845 0.03 . 2 . . . . 97 GLN HE22 . 15028 1 1039 . 1 1 97 97 GLN CA C 13 59.706 0.30 . 1 . . . . 97 GLN CA . 15028 1 1040 . 1 1 97 97 GLN CB C 13 28.581 0.30 . 1 . . . . 97 GLN CB . 15028 1 1041 . 1 1 97 97 GLN CG C 13 34.456 0.30 . 1 . . . . 97 GLN CG . 15028 1 1042 . 1 1 97 97 GLN N N 15 118.719 0.30 . 1 . . . . 97 GLN N . 15028 1 1043 . 1 1 97 97 GLN NE2 N 15 111.230 0.30 . 1 . . . . 97 GLN NE2 . 15028 1 1044 . 1 1 98 98 GLU H H 1 7.367 0.03 . 1 . . . . 98 GLU HN . 15028 1 1045 . 1 1 98 98 GLU HA H 1 3.980 0.03 . 1 . . . . 98 GLU HA . 15028 1 1046 . 1 1 98 98 GLU HB2 H 1 2.050 0.03 . 2 . . . . 98 GLU HB1 . 15028 1 1047 . 1 1 98 98 GLU HB3 H 1 2.093 0.03 . 2 . . . . 98 GLU HB2 . 15028 1 1048 . 1 1 98 98 GLU HG2 H 1 2.237 0.03 . 2 . . . . 98 GLU HG1 . 15028 1 1049 . 1 1 98 98 GLU HG3 H 1 2.391 0.03 . 2 . . . . 98 GLU HG2 . 15028 1 1050 . 1 1 98 98 GLU CA C 13 59.206 0.30 . 1 . . . . 98 GLU CA . 15028 1 1051 . 1 1 98 98 GLU CB C 13 29.331 0.30 . 1 . . . . 98 GLU CB . 15028 1 1052 . 1 1 98 98 GLU CG C 13 36.206 0.30 . 1 . . . . 98 GLU CG . 15028 1 1053 . 1 1 98 98 GLU N N 15 117.453 0.30 . 1 . . . . 98 GLU N . 15028 1 1054 . 1 1 99 99 LEU H H 1 7.227 0.03 . 1 . . . . 99 LEU HN . 15028 1 1055 . 1 1 99 99 LEU HA H 1 4.030 0.03 . 1 . . . . 99 LEU HA . 15028 1 1056 . 1 1 99 99 LEU HB2 H 1 1.762 0.03 . 2 . . . . 99 LEU HB2 . 15028 1 1057 . 1 1 99 99 LEU HG H 1 1.646 0.03 . 1 . . . . 99 LEU HG . 15028 1 1058 . 1 1 99 99 LEU HD11 H 1 0.760 0.03 . 2 . . . . 99 LEU HD1 . 15028 1 1059 . 1 1 99 99 LEU HD12 H 1 0.760 0.03 . 2 . . . . 99 LEU HD1 . 15028 1 1060 . 1 1 99 99 LEU HD13 H 1 0.760 0.03 . 2 . . . . 99 LEU HD1 . 15028 1 1061 . 1 1 99 99 LEU HD21 H 1 0.849 0.03 . 2 . . . . 99 LEU HD2 . 15028 1 1062 . 1 1 99 99 LEU HD22 H 1 0.849 0.03 . 2 . . . . 99 LEU HD2 . 15028 1 1063 . 1 1 99 99 LEU HD23 H 1 0.849 0.03 . 2 . . . . 99 LEU HD2 . 15028 1 1064 . 1 1 99 99 LEU CA C 13 57.956 0.30 . 1 . . . . 99 LEU CA . 15028 1 1065 . 1 1 99 99 LEU CB C 13 42.706 0.30 . 1 . . . . 99 LEU CB . 15028 1 1066 . 1 1 99 99 LEU CG C 13 26.331 0.30 . 1 . . . . 99 LEU CG . 15028 1 1067 . 1 1 99 99 LEU CD1 C 13 24.581 0.30 . 1 . . . . 99 LEU CD1 . 15028 1 1068 . 1 1 99 99 LEU CD2 C 13 24.581 0.30 . 1 . . . . 99 LEU CD2 . 15028 1 1069 . 1 1 99 99 LEU N N 15 117.980 0.30 . 1 . . . . 99 LEU N . 15028 1 1070 . 1 1 100 100 VAL H H 1 7.678 0.03 . 1 . . . . 100 VAL HN . 15028 1 1071 . 1 1 100 100 VAL HA H 1 3.844 0.03 . 1 . . . . 100 VAL HA . 15028 1 1072 . 1 1 100 100 VAL HB H 1 2.036 0.03 . 1 . . . . 100 VAL HB . 15028 1 1073 . 1 1 100 100 VAL HG11 H 1 1.010 0.03 . 2 . . . . 100 VAL HG1 . 15028 1 1074 . 1 1 100 100 VAL HG12 H 1 1.010 0.03 . 2 . . . . 100 VAL HG1 . 15028 1 1075 . 1 1 100 100 VAL HG13 H 1 1.010 0.03 . 2 . . . . 100 VAL HG1 . 15028 1 1076 . 1 1 100 100 VAL HG21 H 1 0.949 0.03 . 2 . . . . 100 VAL HG2 . 15028 1 1077 . 1 1 100 100 VAL HG22 H 1 0.949 0.03 . 2 . . . . 100 VAL HG2 . 15028 1 1078 . 1 1 100 100 VAL HG23 H 1 0.949 0.03 . 2 . . . . 100 VAL HG2 . 15028 1 1079 . 1 1 100 100 VAL CA C 13 65.331 0.30 . 1 . . . . 100 VAL CA . 15028 1 1080 . 1 1 100 100 VAL CB C 13 32.456 0.30 . 1 . . . . 100 VAL CB . 15028 1 1081 . 1 1 100 100 VAL CG1 C 13 21.706 0.30 . 1 . . . . 100 VAL CG1 . 15028 1 1082 . 1 1 100 100 VAL CG2 C 13 22.956 0.30 . 1 . . . . 100 VAL CG2 . 15028 1 1083 . 1 1 100 100 VAL N N 15 111.863 0.30 . 1 . . . . 100 VAL N . 15028 1 1084 . 1 1 101 101 ASN H H 1 8.511 0.03 . 1 . . . . 101 ASN HN . 15028 1 1085 . 1 1 101 101 ASN HA H 1 4.442 0.03 . 1 . . . . 101 ASN HA . 15028 1 1086 . 1 1 101 101 ASN HB2 H 1 2.693 0.03 . 2 . . . . 101 ASN HB1 . 15028 1 1087 . 1 1 101 101 ASN HB3 H 1 2.882 0.03 . 2 . . . . 101 ASN HB2 . 15028 1 1088 . 1 1 101 101 ASN HD21 H 1 7.303 0.03 . 2 . . . . 101 ASN HD21 . 15028 1 1089 . 1 1 101 101 ASN HD22 H 1 6.646 0.03 . 2 . . . . 101 ASN HD22 . 15028 1 1090 . 1 1 101 101 ASN CA C 13 55.956 0.30 . 1 . . . . 101 ASN CA . 15028 1 1091 . 1 1 101 101 ASN CB C 13 38.206 0.30 . 1 . . . . 101 ASN CB . 15028 1 1092 . 1 1 101 101 ASN N N 15 118.508 0.30 . 1 . . . . 101 ASN N . 15028 1 1093 . 1 1 101 101 ASN ND2 N 15 109.016 0.30 . 1 . . . . 101 ASN ND2 . 15028 1 1094 . 1 1 102 102 LYS H H 1 7.220 0.03 . 1 . . . . 102 LYS HN . 15028 1 1095 . 1 1 102 102 LYS HA H 1 4.017 0.03 . 1 . . . . 102 LYS HA . 15028 1 1096 . 1 1 102 102 LYS HB2 H 1 1.471 0.03 . 2 . . . . 102 LYS HB1 . 15028 1 1097 . 1 1 102 102 LYS HB3 H 1 1.605 0.03 . 2 . . . . 102 LYS HB2 . 15028 1 1098 . 1 1 102 102 LYS HG2 H 1 1.109 0.03 . 2 . . . . 102 LYS HG1 . 15028 1 1099 . 1 1 102 102 LYS HG3 H 1 1.177 0.03 . 2 . . . . 102 LYS HG2 . 15028 1 1100 . 1 1 102 102 LYS HD2 H 1 1.627 0.03 . 2 . . . . 102 LYS HD1 . 15028 1 1101 . 1 1 102 102 LYS HD3 H 1 1.681 0.03 . 2 . . . . 102 LYS HD2 . 15028 1 1102 . 1 1 102 102 LYS HE2 H 1 2.895 0.03 . 2 . . . . 102 LYS HE1 . 15028 1 1103 . 1 1 102 102 LYS HE3 H 1 2.974 0.03 . 2 . . . . 102 LYS HE2 . 15028 1 1104 . 1 1 102 102 LYS CA C 13 58.581 0.30 . 1 . . . . 102 LYS CA . 15028 1 1105 . 1 1 102 102 LYS CB C 13 32.122 0.30 . 1 . . . . 102 LYS CB . 15028 1 1106 . 1 1 102 102 LYS CG C 13 24.081 0.30 . 1 . . . . 102 LYS CG . 15028 1 1107 . 1 1 102 102 LYS CD C 13 29.429 0.30 . 1 . . . . 102 LYS CD . 15028 1 1108 . 1 1 102 102 LYS CE C 13 41.831 0.30 . 1 . . . . 102 LYS CE . 15028 1 1109 . 1 1 102 102 LYS N N 15 116.187 0.30 . 1 . . . . 102 LYS N . 15028 1 1110 . 1 1 103 103 HIS H H 1 7.824 0.03 . 1 . . . . 103 HIS HN . 15028 1 1111 . 1 1 103 103 HIS HA H 1 4.684 0.03 . 1 . . . . 103 HIS HA . 15028 1 1112 . 1 1 103 103 HIS HB2 H 1 2.663 0.03 . 2 . . . . 103 HIS HB1 . 15028 1 1113 . 1 1 103 103 HIS HB3 H 1 3.251 0.03 . 2 . . . . 103 HIS HB2 . 15028 1 1114 . 1 1 103 103 HIS HD2 H 1 7.393 0.03 . 4 . . . . 103 HIS HD2 . 15028 1 1115 . 1 1 103 103 HIS CA C 13 56.378 0.30 . 1 . . . . 103 HIS CA . 15028 1 1116 . 1 1 103 103 HIS CB C 13 32.361 0.30 . 1 . . . . 103 HIS CB . 15028 1 1117 . 1 1 103 103 HIS N N 15 115.871 0.30 . 1 . . . . 103 HIS N . 15028 1 1118 . 1 1 104 104 LEU H H 1 7.043 0.03 . 1 . . . . 104 LEU HN . 15028 1 1119 . 1 1 104 104 LEU HA H 1 4.226 0.03 . 1 . . . . 104 LEU HA . 15028 1 1120 . 1 1 104 104 LEU HB2 H 1 1.622 0.03 . 2 . . . . 104 LEU HB1 . 15028 1 1121 . 1 1 104 104 LEU HB3 H 1 1.685 0.03 . 2 . . . . 104 LEU HB2 . 15028 1 1122 . 1 1 104 104 LEU HG H 1 1.800 0.03 . 1 . . . . 104 LEU HG . 15028 1 1123 . 1 1 104 104 LEU HD11 H 1 0.891 0.03 . 2 . . . . 104 LEU HD1 . 15028 1 1124 . 1 1 104 104 LEU HD12 H 1 0.891 0.03 . 2 . . . . 104 LEU HD1 . 15028 1 1125 . 1 1 104 104 LEU HD13 H 1 0.891 0.03 . 2 . . . . 104 LEU HD1 . 15028 1 1126 . 1 1 104 104 LEU HD21 H 1 0.863 0.03 . 2 . . . . 104 LEU HD2 . 15028 1 1127 . 1 1 104 104 LEU HD22 H 1 0.863 0.03 . 2 . . . . 104 LEU HD2 . 15028 1 1128 . 1 1 104 104 LEU HD23 H 1 0.863 0.03 . 2 . . . . 104 LEU HD2 . 15028 1 1129 . 1 1 104 104 LEU CA C 13 56.706 0.30 . 1 . . . . 104 LEU CA . 15028 1 1130 . 1 1 104 104 LEU CB C 13 43.956 0.30 . 1 . . . . 104 LEU CB . 15028 1 1131 . 1 1 104 104 LEU CG C 13 26.581 0.30 . 1 . . . . 104 LEU CG . 15028 1 1132 . 1 1 104 104 LEU CD1 C 13 26.456 0.30 . 1 . . . . 104 LEU CD1 . 15028 1 1133 . 1 1 104 104 LEU CD2 C 13 23.706 0.30 . 1 . . . . 104 LEU CD2 . 15028 1 1134 . 1 1 104 104 LEU N N 15 125.785 0.30 . 1 . . . . 104 LEU N . 15028 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 1 232 15028 1 1 233 15028 1 1 234 15028 1 2 237 15028 1 2 238 15028 1 3 266 15028 1 3 269 15028 1 4 1114 15028 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15028 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' 2 $sample_2 . 15028 2 4 '3D CBCA(CO)NH' 2 $sample_2 . 15028 2 6 '3D HCCH-COSY' 2 $sample_2 . 15028 2 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 . 2 2 2 2 GLU HA H 1 4.280 0.03 . 1 . . . . 2 GLU HA . 15028 2 2 . 2 2 2 2 GLU HB2 H 1 1.861 0.03 . 2 . . . . 2 GLU HB1 . 15028 2 3 . 2 2 2 2 GLU HB3 H 1 1.991 0.03 . 2 . . . . 2 GLU HB2 . 15028 2 4 . 2 2 2 2 GLU HG2 H 1 2.210 0.03 . 2 . . . . 2 GLU HG1 . 15028 2 5 . 2 2 2 2 GLU HG3 H 1 2.240 0.03 . 2 . . . . 2 GLU HG2 . 15028 2 6 . 2 2 2 2 GLU CA C 13 56.375 0.30 . 1 . . . . 2 GLU CA . 15028 2 7 . 2 2 2 2 GLU CB C 13 30.000 0.30 . 1 . . . . 2 GLU CB . 15028 2 8 . 2 2 2 2 GLU CG C 13 36.238 0.30 . 1 . . . . 2 GLU CG . 15028 2 9 . 2 2 3 3 ASN H H 1 8.346 0.03 . 1 . . . . 3 ASN HN . 15028 2 10 . 2 2 3 3 ASN HA H 1 4.836 0.03 . 1 . . . . 3 ASN HA . 15028 2 11 . 2 2 3 3 ASN HB2 H 1 2.527 0.03 . 2 . . . . 3 ASN HB1 . 15028 2 12 . 2 2 3 3 ASN HB3 H 1 2.683 0.03 . 2 . . . . 3 ASN HB2 . 15028 2 13 . 2 2 3 3 ASN HD21 H 1 7.330 0.03 . 2 . . . . 3 ASN HD21 . 15028 2 14 . 2 2 3 3 ASN HD22 H 1 6.865 0.03 . 2 . . . . 3 ASN HD22 . 15028 2 15 . 2 2 3 3 ASN CA C 13 53.375 0.30 . 1 . . . . 3 ASN CA . 15028 2 16 . 2 2 3 3 ASN CB C 13 40.500 0.30 . 1 . . . . 3 ASN CB . 15028 2 17 . 2 2 3 3 ASN N N 15 119.147 0.30 . 1 . . . . 3 ASN N . 15028 2 18 . 2 2 3 3 ASN ND2 N 15 111.530 0.30 . 1 . . . . 3 ASN ND2 . 15028 2 19 . 2 2 4 4 LYS H H 1 8.076 0.03 . 1 . . . . 4 LYS HN . 15028 2 20 . 2 2 4 4 LYS HA H 1 4.432 0.03 . 1 . . . . 4 LYS HA . 15028 2 21 . 2 2 4 4 LYS HB2 H 1 0.268 0.03 . 2 . . . . 4 LYS HB1 . 15028 2 22 . 2 2 4 4 LYS HB3 H 1 0.695 0.03 . 2 . . . . 4 LYS HB2 . 15028 2 23 . 2 2 4 4 LYS HG2 H 1 0.801 0.03 . 2 . . . . 4 LYS HG1 . 15028 2 24 . 2 2 4 4 LYS HG3 H 1 0.868 0.03 . 2 . . . . 4 LYS HG2 . 15028 2 25 . 2 2 4 4 LYS HD2 H 1 0.724 0.03 . 2 . . . . 4 LYS HD1 . 15028 2 26 . 2 2 4 4 LYS HD3 H 1 0.997 0.03 . 2 . . . . 4 LYS HD2 . 15028 2 27 . 2 2 4 4 LYS HE2 H 1 2.248 0.03 . 2 . . . . 4 LYS HE1 . 15028 2 28 . 2 2 4 4 LYS HE3 H 1 2.284 0.03 . 2 . . . . 4 LYS HE2 . 15028 2 29 . 2 2 4 4 LYS CA C 13 55.250 0.30 . 1 . . . . 4 LYS CA . 15028 2 30 . 2 2 4 4 LYS CB C 13 34.500 0.30 . 1 . . . . 4 LYS CB . 15028 2 31 . 2 2 4 4 LYS CG C 13 24.750 0.30 . 1 . . . . 4 LYS CG . 15028 2 32 . 2 2 4 4 LYS CD C 13 28.875 0.30 . 1 . . . . 4 LYS CD . 15028 2 33 . 2 2 4 4 LYS CE C 13 41.750 0.30 . 1 . . . . 4 LYS CE . 15028 2 34 . 2 2 4 4 LYS N N 15 121.726 0.30 . 1 . . . . 4 LYS N . 15028 2 35 . 2 2 5 5 ILE H H 1 9.647 0.03 . 1 . . . . 5 ILE HN . 15028 2 36 . 2 2 5 5 ILE HA H 1 5.218 0.03 . 1 . . . . 5 ILE HA . 15028 2 37 . 2 2 5 5 ILE HB H 1 1.766 0.03 . 1 . . . . 5 ILE HB . 15028 2 38 . 2 2 5 5 ILE HG12 H 1 1.098 0.03 . 1 . . . . 5 ILE HG11 . 15028 2 39 . 2 2 5 5 ILE HG13 H 1 1.752 0.03 . 1 . . . . 5 ILE HG12 . 15028 2 40 . 2 2 5 5 ILE HG21 H 1 0.845 0.03 . 1 . . . . 5 ILE HG2 . 15028 2 41 . 2 2 5 5 ILE HG22 H 1 0.845 0.03 . 1 . . . . 5 ILE HG2 . 15028 2 42 . 2 2 5 5 ILE HG23 H 1 0.845 0.03 . 1 . . . . 5 ILE HG2 . 15028 2 43 . 2 2 5 5 ILE HD11 H 1 0.812 0.03 . 1 . . . . 5 ILE HD1 . 15028 2 44 . 2 2 5 5 ILE HD12 H 1 0.812 0.03 . 1 . . . . 5 ILE HD1 . 15028 2 45 . 2 2 5 5 ILE HD13 H 1 0.812 0.03 . 1 . . . . 5 ILE HD1 . 15028 2 46 . 2 2 5 5 ILE CA C 13 61.126 0.30 . 1 . . . . 5 ILE CA . 15028 2 47 . 2 2 5 5 ILE CB C 13 42.375 0.30 . 1 . . . . 5 ILE CB . 15028 2 48 . 2 2 5 5 ILE CG1 C 13 28.625 0.30 . 1 . . . . 5 ILE CG1 . 15028 2 49 . 2 2 5 5 ILE CG2 C 13 13.749 0.30 . 1 . . . . 5 ILE CG2 . 15028 2 50 . 2 2 5 5 ILE CD1 C 13 17.499 0.30 . 1 . . . . 5 ILE CD1 . 15028 2 51 . 2 2 5 5 ILE N N 15 122.663 0.30 . 1 . . . . 5 ILE N . 15028 2 52 . 2 2 6 6 ILE H H 1 9.066 0.03 . 1 . . . . 6 ILE HN . 15028 2 53 . 2 2 6 6 ILE HA H 1 5.470 0.03 . 1 . . . . 6 ILE HA . 15028 2 54 . 2 2 6 6 ILE HB H 1 1.831 0.03 . 1 . . . . 6 ILE HB . 15028 2 55 . 2 2 6 6 ILE HG12 H 1 -0.160 0.03 . 1 . . . . 6 ILE HG11 . 15028 2 56 . 2 2 6 6 ILE HG13 H 1 0.880 0.03 . 1 . . . . 6 ILE HG12 . 15028 2 57 . 2 2 6 6 ILE HG21 H 1 0.875 0.03 . 1 . . . . 6 ILE HG2 . 15028 2 58 . 2 2 6 6 ILE HG22 H 1 0.875 0.03 . 1 . . . . 6 ILE HG2 . 15028 2 59 . 2 2 6 6 ILE HG23 H 1 0.875 0.03 . 1 . . . . 6 ILE HG2 . 15028 2 60 . 2 2 6 6 ILE HD11 H 1 -0.052 0.03 . 1 . . . . 6 ILE HD1 . 15028 2 61 . 2 2 6 6 ILE HD12 H 1 -0.052 0.03 . 1 . . . . 6 ILE HD1 . 15028 2 62 . 2 2 6 6 ILE HD13 H 1 -0.052 0.03 . 1 . . . . 6 ILE HD1 . 15028 2 63 . 2 2 6 6 ILE CA C 13 58.125 0.30 . 1 . . . . 6 ILE CA . 15028 2 64 . 2 2 6 6 ILE CB C 13 40.500 0.30 . 1 . . . . 6 ILE CB . 15028 2 65 . 2 2 6 6 ILE CG1 C 13 27.500 0.30 . 1 . . . . 6 ILE CG1 . 15028 2 66 . 2 2 6 6 ILE CG2 C 13 16.874 0.30 . 1 . . . . 6 ILE CG2 . 15028 2 67 . 2 2 6 6 ILE CD1 C 13 14.999 0.30 . 1 . . . . 6 ILE CD1 . 15028 2 68 . 2 2 6 6 ILE N N 15 128.522 0.30 . 1 . . . . 6 ILE N . 15028 2 69 . 2 2 7 7 TYR H H 1 8.262 0.03 . 1 . . . . 7 TYR HN . 15028 2 70 . 2 2 7 7 TYR HA H 1 5.570 0.03 . 1 . . . . 7 TYR HA . 15028 2 71 . 2 2 7 7 TYR HB2 H 1 2.287 0.03 . 2 . . . . 7 TYR HB1 . 15028 2 72 . 2 2 7 7 TYR HB3 H 1 3.313 0.03 . 2 . . . . 7 TYR HB2 . 15028 2 73 . 2 2 7 7 TYR HD1 H 1 6.720 0.03 . 3 . . . . 7 TYR HD1 . 15028 2 74 . 2 2 7 7 TYR CA C 13 51.000 0.30 . 1 . . . . 7 TYR CA . 15028 2 75 . 2 2 7 7 TYR CB C 13 41.625 0.30 . 1 . . . . 7 TYR CB . 15028 2 76 . 2 2 7 7 TYR N N 15 129.108 0.30 . 1 . . . . 7 TYR N . 15028 2 77 . 2 2 8 8 PHE H H 1 9.016 0.03 . 1 . . . . 8 PHE HN . 15028 2 78 . 2 2 8 8 PHE HA H 1 5.077 0.03 . 1 . . . . 8 PHE HA . 15028 2 79 . 2 2 8 8 PHE HB2 H 1 2.734 0.03 . 2 . . . . 8 PHE HB1 . 15028 2 80 . 2 2 8 8 PHE HB3 H 1 2.858 0.03 . 2 . . . . 8 PHE HB2 . 15028 2 81 . 2 2 8 8 PHE HD1 H 1 7.018 0.03 . 3 . . . . 8 PHE HD1 . 15028 2 82 . 2 2 8 8 PHE CA C 13 57.875 0.30 . 1 . . . . 8 PHE CA . 15028 2 83 . 2 2 8 8 PHE CB C 13 40.875 0.30 . 1 . . . . 8 PHE CB . 15028 2 84 . 2 2 8 8 PHE N N 15 124.655 0.30 . 1 . . . . 8 PHE N . 15028 2 85 . 2 2 9 9 LEU H H 1 9.136 0.03 . 1 . . . . 9 LEU HN . 15028 2 86 . 2 2 9 9 LEU HA H 1 5.654 0.03 . 1 . . . . 9 LEU HA . 15028 2 87 . 2 2 9 9 LEU HB2 H 1 1.020 0.03 . 2 . . . . 9 LEU HB1 . 15028 2 88 . 2 2 9 9 LEU HB3 H 1 1.512 0.03 . 2 . . . . 9 LEU HB2 . 15028 2 89 . 2 2 9 9 LEU HD11 H 1 0.344 0.03 . 2 . . . . 9 LEU HD1 . 15028 2 90 . 2 2 9 9 LEU HD12 H 1 0.344 0.03 . 2 . . . . 9 LEU HD1 . 15028 2 91 . 2 2 9 9 LEU HD13 H 1 0.344 0.03 . 2 . . . . 9 LEU HD1 . 15028 2 92 . 2 2 9 9 LEU HD21 H 1 -0.159 0.03 . 2 . . . . 9 LEU HD2 . 15028 2 93 . 2 2 9 9 LEU HD22 H 1 -0.159 0.03 . 2 . . . . 9 LEU HD2 . 15028 2 94 . 2 2 9 9 LEU HD23 H 1 -0.159 0.03 . 2 . . . . 9 LEU HD2 . 15028 2 95 . 2 2 9 9 LEU CA C 13 52.500 0.30 . 1 . . . . 9 LEU CA . 15028 2 96 . 2 2 9 9 LEU CB C 13 47.000 0.30 . 1 . . . . 9 LEU CB . 15028 2 97 . 2 2 9 9 LEU CD1 C 13 26.125 0.30 . 1 . . . . 9 LEU CD1 . 15028 2 98 . 2 2 9 9 LEU CD2 C 13 23.000 0.30 . 1 . . . . 9 LEU CD2 . 15028 2 99 . 2 2 9 9 LEU N N 15 120.788 0.30 . 1 . . . . 9 LEU N . 15028 2 100 . 2 2 10 10 SER H H 1 8.024 0.03 . 1 . . . . 10 SER HN . 15028 2 101 . 2 2 10 10 SER HB2 H 1 3.793 0.03 . 2 . . . . 10 SER HB2 . 15028 2 102 . 2 2 10 10 SER CA C 13 54.553 0.30 . 1 . . . . 10 SER CA . 15028 2 103 . 2 2 10 10 SER CB C 13 64.142 0.30 . 1 . . . . 10 SER CB . 15028 2 104 . 2 2 10 10 SER N N 15 112.468 0.30 . 1 . . . . 10 SER N . 15028 2 105 . 2 2 11 11 THR H H 1 8.596 0.03 . 1 . . . . 11 THR HN . 15028 2 106 . 2 2 11 11 THR HA H 1 4.027 0.03 . 1 . . . . 11 THR HA . 15028 2 107 . 2 2 11 11 THR HB H 1 4.393 0.03 . 1 . . . . 11 THR HB . 15028 2 108 . 2 2 11 11 THR HG21 H 1 1.469 0.03 . 1 . . . . 11 THR HG2 . 15028 2 109 . 2 2 11 11 THR HG22 H 1 1.469 0.03 . 1 . . . . 11 THR HG2 . 15028 2 110 . 2 2 11 11 THR HG23 H 1 1.469 0.03 . 1 . . . . 11 THR HG2 . 15028 2 111 . 2 2 11 11 THR CA C 13 65.501 0.30 . 1 . . . . 11 THR CA . 15028 2 112 . 2 2 11 11 THR CB C 13 67.751 0.30 . 1 . . . . 11 THR CB . 15028 2 113 . 2 2 11 11 THR CG2 C 13 23.625 0.30 . 1 . . . . 11 THR CG2 . 15028 2 114 . 2 2 11 11 THR N N 15 112.585 0.30 . 1 . . . . 11 THR N . 15028 2 115 . 2 2 12 12 GLY H H 1 7.795 0.03 . 1 . . . . 12 GLY HN . 15028 2 116 . 2 2 12 12 GLY HA2 H 1 3.854 0.03 . 2 . . . . 12 GLY HA1 . 15028 2 117 . 2 2 12 12 GLY HA3 H 1 5.347 0.03 . 2 . . . . 12 GLY HA2 . 15028 2 118 . 2 2 12 12 GLY CA C 13 43.250 0.30 . 1 . . . . 12 GLY CA . 15028 2 119 . 2 2 12 12 GLY N N 15 110.358 0.30 . 1 . . . . 12 GLY N . 15028 2 120 . 2 2 13 13 ASN H H 1 8.521 0.03 . 1 . . . . 13 ASN HN . 15028 2 121 . 2 2 13 13 ASN HA H 1 5.463 0.03 . 1 . . . . 13 ASN HA . 15028 2 122 . 2 2 13 13 ASN HB2 H 1 2.735 0.03 . 2 . . . . 13 ASN HB2 . 15028 2 123 . 2 2 13 13 ASN HD21 H 1 8.001 0.03 . 2 . . . . 13 ASN HD21 . 15028 2 124 . 2 2 13 13 ASN HD22 H 1 7.381 0.03 . 2 . . . . 13 ASN HD22 . 15028 2 125 . 2 2 13 13 ASN CA C 13 50.894 0.30 . 1 . . . . 13 ASN CA . 15028 2 126 . 2 2 13 13 ASN CB C 13 40.162 0.30 . 1 . . . . 13 ASN CB . 15028 2 127 . 2 2 13 13 ASN N N 15 115.983 0.30 . 1 . . . . 13 ASN N . 15028 2 128 . 2 2 13 13 ASN ND2 N 15 105.202 0.30 . 1 . . . . 13 ASN ND2 . 15028 2 129 . 2 2 14 14 SER HA H 1 5.258 0.03 . 1 . . . . 14 SER HA . 15028 2 130 . 2 2 14 14 SER HB2 H 1 3.857 0.03 . 2 . . . . 14 SER HB1 . 15028 2 131 . 2 2 14 14 SER HB3 H 1 4.132 0.03 . 2 . . . . 14 SER HB2 . 15028 2 132 . 2 2 14 14 SER CA C 13 61.251 0.30 . 1 . . . . 14 SER CA . 15028 2 133 . 2 2 14 14 SER CB C 13 67.376 0.30 . 1 . . . . 14 SER CB . 15028 2 134 . 2 2 15 15 ALA H H 1 8.923 0.03 . 1 . . . . 15 ALA HN . 15028 2 135 . 2 2 15 15 ALA HA H 1 4.951 0.03 . 1 . . . . 15 ALA HA . 15028 2 136 . 2 2 15 15 ALA HB1 H 1 1.656 0.03 . 1 . . . . 15 ALA HB . 15028 2 137 . 2 2 15 15 ALA HB2 H 1 1.656 0.03 . 1 . . . . 15 ALA HB . 15028 2 138 . 2 2 15 15 ALA HB3 H 1 1.656 0.03 . 1 . . . . 15 ALA HB . 15028 2 139 . 2 2 15 15 ALA CA C 13 54.000 0.30 . 1 . . . . 15 ALA CA . 15028 2 140 . 2 2 15 15 ALA CB C 13 21.124 0.30 . 1 . . . . 15 ALA CB . 15028 2 141 . 2 2 15 15 ALA N N 15 122.663 0.30 . 1 . . . . 15 ALA N . 15028 2 142 . 2 2 16 16 ARG H H 1 10.691 0.03 . 1 . . . . 16 ARG HN . 15028 2 143 . 2 2 16 16 ARG HA H 1 3.618 0.03 . 1 . . . . 16 ARG HA . 15028 2 144 . 2 2 16 16 ARG HB2 H 1 2.637 0.03 . 2 . . . . 16 ARG HB2 . 15028 2 145 . 2 2 16 16 ARG HG2 H 1 1.637 0.03 . 2 . . . . 16 ARG HG1 . 15028 2 146 . 2 2 16 16 ARG HG3 H 1 2.437 0.03 . 2 . . . . 16 ARG HG2 . 15028 2 147 . 2 2 16 16 ARG CA C 13 60.883 0.30 . 1 . . . . 16 ARG CA . 15028 2 148 . 2 2 16 16 ARG CB C 13 31.092 0.30 . 1 . . . . 16 ARG CB . 15028 2 149 . 2 2 16 16 ARG CG C 13 26.637 0.30 . 1 . . . . 16 ARG CG . 15028 2 150 . 2 2 16 16 ARG CD C 13 43.072 0.30 . 1 . . . . 16 ARG CD . 15028 2 151 . 2 2 16 16 ARG N N 15 125.241 0.30 . 1 . . . . 16 ARG N . 15028 2 152 . 2 2 17 17 SER H H 1 9.856 0.03 . 1 . . . . 17 SER HN . 15028 2 153 . 2 2 17 17 SER HA H 1 3.693 0.03 . 1 . . . . 17 SER HA . 15028 2 154 . 2 2 17 17 SER HB2 H 1 3.692 0.03 . 2 . . . . 17 SER HB2 . 15028 2 155 . 2 2 17 17 SER CA C 13 60.876 0.30 . 1 . . . . 17 SER CA . 15028 2 156 . 2 2 17 17 SER CB C 13 61.258 0.30 . 1 . . . . 17 SER CB . 15028 2 157 . 2 2 17 17 SER N N 15 112.585 0.30 . 1 . . . . 17 SER N . 15028 2 158 . 2 2 18 18 GLN H H 1 6.022 0.03 . 1 . . . . 18 GLN HN . 15028 2 159 . 2 2 18 18 GLN HA H 1 4.136 0.03 . 1 . . . . 18 GLN HA . 15028 2 160 . 2 2 18 18 GLN HB2 H 1 1.450 0.03 . 2 . . . . 18 GLN HB1 . 15028 2 161 . 2 2 18 18 GLN HB3 H 1 1.978 0.03 . 2 . . . . 18 GLN HB2 . 15028 2 162 . 2 2 18 18 GLN HG2 H 1 1.999 0.03 . 2 . . . . 18 GLN HG2 . 15028 2 163 . 2 2 18 18 GLN HE21 H 1 6.865 0.03 . 2 . . . . 18 GLN HE21 . 15028 2 164 . 2 2 18 18 GLN HE22 H 1 6.277 0.03 . 2 . . . . 18 GLN HE22 . 15028 2 165 . 2 2 18 18 GLN CA C 13 57.625 0.30 . 1 . . . . 18 GLN CA . 15028 2 166 . 2 2 18 18 GLN CB C 13 27.258 0.30 . 1 . . . . 18 GLN CB . 15028 2 167 . 2 2 18 18 GLN CG C 13 30.550 0.30 . 1 . . . . 18 GLN CG . 15028 2 168 . 2 2 18 18 GLN N N 15 119.499 0.30 . 1 . . . . 18 GLN N . 15028 2 169 . 2 2 18 18 GLN NE2 N 15 107.077 0.30 . 1 . . . . 18 GLN NE2 . 15028 2 170 . 2 2 19 19 MET H H 1 8.392 0.03 . 1 . . . . 19 MET HN . 15028 2 171 . 2 2 19 19 MET HA H 1 3.861 0.03 . 1 . . . . 19 MET HA . 15028 2 172 . 2 2 19 19 MET HB2 H 1 2.257 0.03 . 1 . . . . 19 MET HB1 . 15028 2 173 . 2 2 19 19 MET HB3 H 1 2.257 0.03 . 1 . . . . 19 MET HB2 . 15028 2 174 . 2 2 19 19 MET HE1 H 1 2.012 0.03 . 1 . . . . 19 MET HE . 15028 2 175 . 2 2 19 19 MET HE2 H 1 2.012 0.03 . 1 . . . . 19 MET HE . 15028 2 176 . 2 2 19 19 MET HE3 H 1 2.012 0.03 . 1 . . . . 19 MET HE . 15028 2 177 . 2 2 19 19 MET CA C 13 60.126 0.30 . 1 . . . . 19 MET CA . 15028 2 178 . 2 2 19 19 MET CB C 13 33.013 0.30 . 1 . . . . 19 MET CB . 15028 2 179 . 2 2 19 19 MET CE C 13 16.749 0.30 . 1 . . . . 19 MET CE . 15028 2 180 . 2 2 19 19 MET N N 15 118.561 0.30 . 1 . . . . 19 MET N . 15028 2 181 . 2 2 20 20 ALA H H 1 8.537 0.03 . 1 . . . . 20 ALA HN . 15028 2 182 . 2 2 20 20 ALA HA H 1 3.605 0.03 . 1 . . . . 20 ALA HA . 15028 2 183 . 2 2 20 20 ALA HB1 H 1 0.514 0.03 . 1 . . . . 20 ALA HB . 15028 2 184 . 2 2 20 20 ALA HB2 H 1 0.514 0.03 . 1 . . . . 20 ALA HB . 15028 2 185 . 2 2 20 20 ALA HB3 H 1 0.514 0.03 . 1 . . . . 20 ALA HB . 15028 2 186 . 2 2 20 20 ALA CA C 13 55.625 0.30 . 1 . . . . 20 ALA CA . 15028 2 187 . 2 2 20 20 ALA CB C 13 17.374 0.30 . 1 . . . . 20 ALA CB . 15028 2 188 . 2 2 20 20 ALA N N 15 120.202 0.30 . 1 . . . . 20 ALA N . 15028 2 189 . 2 2 21 21 GLU H H 1 7.375 0.03 . 1 . . . . 21 GLU HN . 15028 2 190 . 2 2 21 21 GLU HA H 1 3.743 0.03 . 1 . . . . 21 GLU HA . 15028 2 191 . 2 2 21 21 GLU HB2 H 1 1.996 0.03 . 2 . . . . 21 GLU HB1 . 15028 2 192 . 2 2 21 21 GLU HB3 H 1 2.037 0.03 . 2 . . . . 21 GLU HB2 . 15028 2 193 . 2 2 21 21 GLU HG2 H 1 2.022 0.03 . 2 . . . . 21 GLU HG1 . 15028 2 194 . 2 2 21 21 GLU HG3 H 1 2.101 0.03 . 2 . . . . 21 GLU HG2 . 15028 2 195 . 2 2 21 21 GLU CA C 13 59.376 0.30 . 1 . . . . 21 GLU CA . 15028 2 196 . 2 2 21 21 GLU CB C 13 29.261 0.30 . 1 . . . . 21 GLU CB . 15028 2 197 . 2 2 21 21 GLU CG C 13 34.793 0.30 . 1 . . . . 21 GLU CG . 15028 2 198 . 2 2 21 21 GLU N N 15 117.155 0.30 . 1 . . . . 21 GLU N . 15028 2 199 . 2 2 22 22 GLY H H 1 7.749 0.03 . 1 . . . . 22 GLY HN . 15028 2 200 . 2 2 22 22 GLY HA2 H 1 3.201 0.03 . 2 . . . . 22 GLY HA1 . 15028 2 201 . 2 2 22 22 GLY HA3 H 1 3.732 0.03 . 2 . . . . 22 GLY HA2 . 15028 2 202 . 2 2 22 22 GLY CA C 13 48.000 0.30 . 1 . . . . 22 GLY CA . 15028 2 203 . 2 2 22 22 GLY N N 15 104.147 0.30 . 1 . . . . 22 GLY N . 15028 2 204 . 2 2 23 23 TRP H H 1 8.775 0.03 . 1 . . . . 23 TRP HN . 15028 2 205 . 2 2 23 23 TRP HA H 1 4.506 0.03 . 1 . . . . 23 TRP HA . 15028 2 206 . 2 2 23 23 TRP HB2 H 1 3.099 0.03 . 2 . . . . 23 TRP HB1 . 15028 2 207 . 2 2 23 23 TRP HB3 H 1 3.170 0.03 . 2 . . . . 23 TRP HB2 . 15028 2 208 . 2 2 23 23 TRP HD1 H 1 6.536 0.03 . 1 . . . . 23 TRP HD1 . 15028 2 209 . 2 2 23 23 TRP HE1 H 1 9.254 0.03 . 4 . . . . 23 TRP HE1 . 15028 2 210 . 2 2 23 23 TRP HZ2 H 1 7.371 0.03 . 4 . . . . 23 TRP HZ2 . 15028 2 211 . 2 2 23 23 TRP CA C 13 59.626 0.30 . 1 . . . . 23 TRP CA . 15028 2 212 . 2 2 23 23 TRP CB C 13 32.000 0.30 . 1 . . . . 23 TRP CB . 15028 2 213 . 2 2 23 23 TRP CD1 C 13 126.982 0.30 . 4 . . . . 23 TRP CD1 . 15028 2 214 . 2 2 23 23 TRP CZ2 C 13 113.858 0.30 . 4 . . . . 23 TRP CZ2 . 15028 2 215 . 2 2 23 23 TRP N N 15 120.788 0.30 . 1 . . . . 23 TRP N . 15028 2 216 . 2 2 23 23 TRP NE1 N 15 125.124 0.30 . 1 . . . . 23 TRP NE1 . 15028 2 217 . 2 2 24 24 ALA H H 1 9.111 0.03 . 1 . . . . 24 ALA HN . 15028 2 218 . 2 2 24 24 ALA HA H 1 4.069 0.03 . 1 . . . . 24 ALA HA . 15028 2 219 . 2 2 24 24 ALA HB1 H 1 1.750 0.03 . 1 . . . . 24 ALA HB . 15028 2 220 . 2 2 24 24 ALA HB2 H 1 1.750 0.03 . 1 . . . . 24 ALA HB . 15028 2 221 . 2 2 24 24 ALA HB3 H 1 1.750 0.03 . 1 . . . . 24 ALA HB . 15028 2 222 . 2 2 24 24 ALA CA C 13 55.750 0.30 . 1 . . . . 24 ALA CA . 15028 2 223 . 2 2 24 24 ALA CB C 13 19.874 0.30 . 1 . . . . 24 ALA CB . 15028 2 224 . 2 2 24 24 ALA N N 15 121.140 0.30 . 1 . . . . 24 ALA N . 15028 2 225 . 2 2 25 25 LYS H H 1 7.922 0.03 . 1 . . . . 25 LYS HN . 15028 2 226 . 2 2 25 25 LYS HA H 1 4.142 0.03 . 1 . . . . 25 LYS HA . 15028 2 227 . 2 2 25 25 LYS HB2 H 1 1.951 0.03 . 1 . . . . 25 LYS HB1 . 15028 2 228 . 2 2 25 25 LYS HB3 H 1 1.951 0.03 . 1 . . . . 25 LYS HB2 . 15028 2 229 . 2 2 25 25 LYS HG2 H 1 1.562 0.03 . 1 . . . . 25 LYS HG1 . 15028 2 230 . 2 2 25 25 LYS HG3 H 1 1.562 0.03 . 1 . . . . 25 LYS HG2 . 15028 2 231 . 2 2 25 25 LYS HD2 H 1 1.812 0.03 . 1 . . . . 25 LYS HD1 . 15028 2 232 . 2 2 25 25 LYS HD3 H 1 1.812 0.03 . 1 . . . . 25 LYS HD2 . 15028 2 233 . 2 2 25 25 LYS HE2 H 1 3.094 0.03 . 2 . . . . 25 LYS HE1 . 15028 2 234 . 2 2 25 25 LYS HE3 H 1 3.127 0.03 . 2 . . . . 25 LYS HE2 . 15028 2 235 . 2 2 25 25 LYS CA C 13 59.501 0.30 . 1 . . . . 25 LYS CA . 15028 2 236 . 2 2 25 25 LYS CB C 13 32.261 0.30 . 1 . . . . 25 LYS CB . 15028 2 237 . 2 2 25 25 LYS CG C 13 27.000 0.30 . 1 . . . . 25 LYS CG . 15028 2 238 . 2 2 25 25 LYS CD C 13 29.375 0.30 . 1 . . . . 25 LYS CD . 15028 2 239 . 2 2 25 25 LYS CE C 13 42.375 0.30 . 1 . . . . 25 LYS CE . 15028 2 240 . 2 2 25 25 LYS N N 15 115.866 0.30 . 1 . . . . 25 LYS N . 15028 2 241 . 2 2 26 26 GLN H H 1 7.247 0.03 . 1 . . . . 26 GLN HN . 15028 2 242 . 2 2 26 26 GLN HA H 1 4.242 0.03 . 1 . . . . 26 GLN HA . 15028 2 243 . 2 2 26 26 GLN HB2 H 1 1.962 0.03 . 2 . . . . 26 GLN HB1 . 15028 2 244 . 2 2 26 26 GLN HB3 H 1 2.035 0.03 . 2 . . . . 26 GLN HB2 . 15028 2 245 . 2 2 26 26 GLN HG2 H 1 2.071 0.03 . 2 . . . . 26 GLN HG1 . 15028 2 246 . 2 2 26 26 GLN HG3 H 1 2.113 0.03 . 2 . . . . 26 GLN HG2 . 15028 2 247 . 2 2 26 26 GLN HE21 H 1 7.125 0.03 . 2 . . . . 26 GLN HE21 . 15028 2 248 . 2 2 26 26 GLN HE22 H 1 6.849 0.03 . 2 . . . . 26 GLN HE22 . 15028 2 249 . 2 2 26 26 GLN CA C 13 57.625 0.30 . 1 . . . . 26 GLN CA . 15028 2 250 . 2 2 26 26 GLN CB C 13 28.875 0.30 . 1 . . . . 26 GLN CB . 15028 2 251 . 2 2 26 26 GLN CG C 13 33.250 0.30 . 1 . . . . 26 GLN CG . 15028 2 252 . 2 2 26 26 GLN N N 15 116.452 0.30 . 1 . . . . 26 GLN N . 15028 2 253 . 2 2 26 26 GLN NE2 N 15 111.530 0.30 . 1 . . . . 26 GLN NE2 . 15028 2 254 . 2 2 27 27 TYR H H 1 8.100 0.03 . 1 . . . . 27 TYR HN . 15028 2 255 . 2 2 27 27 TYR HA H 1 4.791 0.03 . 1 . . . . 27 TYR HA . 15028 2 256 . 2 2 27 27 TYR HB2 H 1 2.624 0.03 . 2 . . . . 27 TYR HB1 . 15028 2 257 . 2 2 27 27 TYR HB3 H 1 3.105 0.03 . 2 . . . . 27 TYR HB2 . 15028 2 258 . 2 2 27 27 TYR HD1 H 1 7.092 0.03 . 3 . . . . 27 TYR HD1 . 15028 2 259 . 2 2 27 27 TYR CA C 13 59.211 0.30 . 1 . . . . 27 TYR CA . 15028 2 260 . 2 2 27 27 TYR CB C 13 40.510 0.30 . 1 . . . . 27 TYR CB . 15028 2 261 . 2 2 27 27 TYR N N 15 114.929 0.30 . 1 . . . . 27 TYR N . 15028 2 262 . 2 2 28 28 LEU H H 1 8.804 0.03 . 1 . . . . 28 LEU HN . 15028 2 263 . 2 2 28 28 LEU HA H 1 4.570 0.03 . 1 . . . . 28 LEU HA . 15028 2 264 . 2 2 28 28 LEU HB2 H 1 1.630 0.03 . 2 . . . . 28 LEU HB1 . 15028 2 265 . 2 2 28 28 LEU HB3 H 1 1.993 0.03 . 2 . . . . 28 LEU HB2 . 15028 2 266 . 2 2 28 28 LEU HG H 1 1.767 0.03 . 1 . . . . 28 LEU HG . 15028 2 267 . 2 2 28 28 LEU HD11 H 1 0.449 0.03 . 2 . . . . 28 LEU HD1 . 15028 2 268 . 2 2 28 28 LEU HD12 H 1 0.449 0.03 . 2 . . . . 28 LEU HD1 . 15028 2 269 . 2 2 28 28 LEU HD13 H 1 0.449 0.03 . 2 . . . . 28 LEU HD1 . 15028 2 270 . 2 2 28 28 LEU HD21 H 1 0.597 0.03 . 2 . . . . 28 LEU HD2 . 15028 2 271 . 2 2 28 28 LEU HD22 H 1 0.597 0.03 . 2 . . . . 28 LEU HD2 . 15028 2 272 . 2 2 28 28 LEU HD23 H 1 0.597 0.03 . 2 . . . . 28 LEU HD2 . 15028 2 273 . 2 2 28 28 LEU CA C 13 55.375 0.30 . 1 . . . . 28 LEU CA . 15028 2 274 . 2 2 28 28 LEU CB C 13 40.875 0.30 . 1 . . . . 28 LEU CB . 15028 2 275 . 2 2 28 28 LEU CG C 13 27.500 0.30 . 1 . . . . 28 LEU CG . 15028 2 276 . 2 2 28 28 LEU CD1 C 13 25.500 0.30 . 1 . . . . 28 LEU CD1 . 15028 2 277 . 2 2 28 28 LEU CD2 C 13 21.625 0.30 . 1 . . . . 28 LEU CD2 . 15028 2 278 . 2 2 28 28 LEU N N 15 117.741 0.30 . 1 . . . . 28 LEU N . 15028 2 279 . 2 2 29 29 GLY H H 1 8.123 0.03 . 1 . . . . 29 GLY HN . 15028 2 280 . 2 2 29 29 GLY HA2 H 1 4.215 0.03 . 2 . . . . 29 GLY HA1 . 15028 2 281 . 2 2 29 29 GLY HA3 H 1 4.259 0.03 . 2 . . . . 29 GLY HA2 . 15028 2 282 . 2 2 29 29 GLY CA C 13 45.500 0.30 . 1 . . . . 29 GLY CA . 15028 2 283 . 2 2 29 29 GLY N N 15 106.726 0.30 . 1 . . . . 29 GLY N . 15028 2 284 . 2 2 30 30 ASP H H 1 8.363 0.03 . 1 . . . . 30 ASP HN . 15028 2 285 . 2 2 30 30 ASP HA H 1 4.538 0.03 . 1 . . . . 30 ASP HA . 15028 2 286 . 2 2 30 30 ASP HB2 H 1 2.772 0.03 . 1 . . . . 30 ASP HB1 . 15028 2 287 . 2 2 30 30 ASP HB3 H 1 2.772 0.03 . 1 . . . . 30 ASP HB2 . 15028 2 288 . 2 2 30 30 ASP CA C 13 56.250 0.30 . 1 . . . . 30 ASP CA . 15028 2 289 . 2 2 30 30 ASP CB C 13 41.000 0.30 . 1 . . . . 30 ASP CB . 15028 2 290 . 2 2 30 30 ASP N N 15 117.155 0.30 . 1 . . . . 30 ASP N . 15028 2 291 . 2 2 31 31 GLU H H 1 9.137 0.03 . 1 . . . . 31 GLU HN . 15028 2 292 . 2 2 31 31 GLU HA H 1 4.283 0.03 . 1 . . . . 31 GLU HA . 15028 2 293 . 2 2 31 31 GLU HB2 H 1 1.973 0.03 . 2 . . . . 31 GLU HB1 . 15028 2 294 . 2 2 31 31 GLU HB3 H 1 2.014 0.03 . 2 . . . . 31 GLU HB2 . 15028 2 295 . 2 2 31 31 GLU HG2 H 1 1.973 0.03 . 2 . . . . 31 GLU HG1 . 15028 2 296 . 2 2 31 31 GLU HG3 H 1 2.166 0.03 . 2 . . . . 31 GLU HG2 . 15028 2 297 . 2 2 31 31 GLU CA C 13 57.875 0.30 . 1 . . . . 31 GLU CA . 15028 2 298 . 2 2 31 31 GLU CB C 13 29.625 0.30 . 1 . . . . 31 GLU CB . 15028 2 299 . 2 2 31 31 GLU CG C 13 36.250 0.30 . 1 . . . . 31 GLU CG . 15028 2 300 . 2 2 31 31 GLU N N 15 119.147 0.30 . 1 . . . . 31 GLU N . 15028 2 301 . 2 2 32 32 TRP H H 1 7.911 0.03 . 1 . . . . 32 TRP HN . 15028 2 302 . 2 2 32 32 TRP HA H 1 5.065 0.03 . 1 . . . . 32 TRP HA . 15028 2 303 . 2 2 32 32 TRP HB2 H 1 2.932 0.03 . 2 . . . . 32 TRP HB1 . 15028 2 304 . 2 2 32 32 TRP HB3 H 1 3.020 0.03 . 2 . . . . 32 TRP HB2 . 15028 2 305 . 2 2 32 32 TRP HD1 H 1 7.268 0.03 . 1 . . . . 32 TRP HD1 . 15028 2 306 . 2 2 32 32 TRP HE1 H 1 10.169 0.03 . 1 . . . . 32 TRP HE1 . 15028 2 307 . 2 2 32 32 TRP HZ2 H 1 7.549 0.03 . 4 . . . . 32 TRP HZ2 . 15028 2 308 . 2 2 32 32 TRP CA C 13 56.500 0.30 . 1 . . . . 32 TRP CA . 15028 2 309 . 2 2 32 32 TRP CB C 13 31.000 0.30 . 1 . . . . 32 TRP CB . 15028 2 310 . 2 2 32 32 TRP CD1 C 13 127.450 0.30 . 4 . . . . 32 TRP CD1 . 15028 2 311 . 2 2 32 32 TRP CZ2 C 13 114.325 0.30 . 4 . . . . 32 TRP CZ2 . 15028 2 312 . 2 2 32 32 TRP N N 15 119.616 0.30 . 1 . . . . 32 TRP N . 15028 2 313 . 2 2 32 32 TRP NE1 N 15 128.522 0.30 . 1 . . . . 32 TRP NE1 . 15028 2 314 . 2 2 33 33 LYS H H 1 9.586 0.03 . 1 . . . . 33 LYS HN . 15028 2 315 . 2 2 33 33 LYS HA H 1 4.591 0.03 . 1 . . . . 33 LYS HA . 15028 2 316 . 2 2 33 33 LYS HB2 H 1 1.783 0.03 . 1 . . . . 33 LYS HB1 . 15028 2 317 . 2 2 33 33 LYS HB3 H 1 1.783 0.03 . 1 . . . . 33 LYS HB2 . 15028 2 318 . 2 2 33 33 LYS HG2 H 1 1.370 0.03 . 2 . . . . 33 LYS HG2 . 15028 2 319 . 2 2 33 33 LYS HD2 H 1 1.661 0.03 . 2 . . . . 33 LYS HD1 . 15028 2 320 . 2 2 33 33 LYS HD3 H 1 1.685 0.03 . 2 . . . . 33 LYS HD2 . 15028 2 321 . 2 2 33 33 LYS HE2 H 1 2.912 0.03 . 2 . . . . 33 LYS HE2 . 15028 2 322 . 2 2 33 33 LYS CA C 13 54.875 0.30 . 1 . . . . 33 LYS CA . 15028 2 323 . 2 2 33 33 LYS CB C 13 33.500 0.30 . 1 . . . . 33 LYS CB . 15028 2 324 . 2 2 33 33 LYS CG C 13 24.874 0.30 . 1 . . . . 33 LYS CG . 15028 2 325 . 2 2 33 33 LYS CD C 13 28.750 0.30 . 1 . . . . 33 LYS CD . 15028 2 326 . 2 2 33 33 LYS CE C 13 42.125 0.30 . 1 . . . . 33 LYS CE . 15028 2 327 . 2 2 33 33 LYS N N 15 124.538 0.30 . 1 . . . . 33 LYS N . 15028 2 328 . 2 2 34 34 VAL H H 1 8.203 0.03 . 1 . . . . 34 VAL HN . 15028 2 329 . 2 2 34 34 VAL HA H 1 4.657 0.03 . 1 . . . . 34 VAL HA . 15028 2 330 . 2 2 34 34 VAL HB H 1 1.916 0.03 . 1 . . . . 34 VAL HB . 15028 2 331 . 2 2 34 34 VAL HG11 H 1 1.229 0.03 . 2 . . . . 34 VAL HG1 . 15028 2 332 . 2 2 34 34 VAL HG12 H 1 1.229 0.03 . 2 . . . . 34 VAL HG1 . 15028 2 333 . 2 2 34 34 VAL HG13 H 1 1.229 0.03 . 2 . . . . 34 VAL HG1 . 15028 2 334 . 2 2 34 34 VAL HG21 H 1 0.892 0.03 . 2 . . . . 34 VAL HG2 . 15028 2 335 . 2 2 34 34 VAL HG22 H 1 0.892 0.03 . 2 . . . . 34 VAL HG2 . 15028 2 336 . 2 2 34 34 VAL HG23 H 1 0.892 0.03 . 2 . . . . 34 VAL HG2 . 15028 2 337 . 2 2 34 34 VAL CA C 13 61.251 0.30 . 1 . . . . 34 VAL CA . 15028 2 338 . 2 2 34 34 VAL CB C 13 33.500 0.30 . 1 . . . . 34 VAL CB . 15028 2 339 . 2 2 34 34 VAL CG1 C 13 23.250 0.30 . 1 . . . . 34 VAL CG1 . 15028 2 340 . 2 2 34 34 VAL CG2 C 13 20.624 0.30 . 1 . . . . 34 VAL CG2 . 15028 2 341 . 2 2 34 34 VAL N N 15 123.718 0.30 . 1 . . . . 34 VAL N . 15028 2 342 . 2 2 35 35 TYR H H 1 8.676 0.03 . 1 . . . . 35 TYR HN . 15028 2 343 . 2 2 35 35 TYR HA H 1 5.156 0.03 . 1 . . . . 35 TYR HA . 15028 2 344 . 2 2 35 35 TYR HB2 H 1 2.395 0.03 . 2 . . . . 35 TYR HB1 . 15028 2 345 . 2 2 35 35 TYR HB3 H 1 3.187 0.03 . 2 . . . . 35 TYR HB2 . 15028 2 346 . 2 2 35 35 TYR HD1 H 1 6.960 0.03 . 3 . . . . 35 TYR HD1 . 15028 2 347 . 2 2 35 35 TYR HD2 H 1 6.664 0.03 . 3 . . . . 35 TYR HD2 . 15028 2 348 . 2 2 35 35 TYR HE1 H 1 6.724 0.03 . 3 . . . . 35 TYR HE1 . 15028 2 349 . 2 2 35 35 TYR CA C 13 56.000 0.30 . 1 . . . . 35 TYR CA . 15028 2 350 . 2 2 35 35 TYR CB C 13 44.250 0.30 . 1 . . . . 35 TYR CB . 15028 2 351 . 2 2 35 35 TYR N N 15 124.538 0.30 . 1 . . . . 35 TYR N . 15028 2 352 . 2 2 36 36 SER H H 1 9.468 0.03 . 1 . . . . 36 SER HN . 15028 2 353 . 2 2 36 36 SER HA H 1 6.037 0.03 . 1 . . . . 36 SER HA . 15028 2 354 . 2 2 36 36 SER HB2 H 1 4.099 0.03 . 2 . . . . 36 SER HB1 . 15028 2 355 . 2 2 36 36 SER HB3 H 1 3.813 0.03 . 2 . . . . 36 SER HB2 . 15028 2 356 . 2 2 36 36 SER CA C 13 57.857 0.30 . 1 . . . . 36 SER CA . 15028 2 357 . 2 2 36 36 SER CB C 13 68.876 0.30 . 1 . . . . 36 SER CB . 15028 2 358 . 2 2 36 36 SER N N 15 115.866 0.30 . 1 . . . . 36 SER N . 15028 2 359 . 2 2 37 37 ALA H H 1 9.031 0.03 . 1 . . . . 37 ALA HN . 15028 2 360 . 2 2 37 37 ALA HA H 1 4.628 0.03 . 1 . . . . 37 ALA HA . 15028 2 361 . 2 2 37 37 ALA HB1 H 1 1.174 0.03 . 1 . . . . 37 ALA HB . 15028 2 362 . 2 2 37 37 ALA HB2 H 1 1.174 0.03 . 1 . . . . 37 ALA HB . 15028 2 363 . 2 2 37 37 ALA HB3 H 1 1.174 0.03 . 1 . . . . 37 ALA HB . 15028 2 364 . 2 2 37 37 ALA CA C 13 51.875 0.30 . 1 . . . . 37 ALA CA . 15028 2 365 . 2 2 37 37 ALA CB C 13 23.875 0.30 . 1 . . . . 37 ALA CB . 15028 2 366 . 2 2 37 37 ALA N N 15 122.311 0.30 . 1 . . . . 37 ALA N . 15028 2 367 . 2 2 38 38 GLY H H 1 8.386 0.03 . 1 . . . . 38 GLY HN . 15028 2 368 . 2 2 38 38 GLY HA2 H 1 3.194 0.03 . 2 . . . . 38 GLY HA1 . 15028 2 369 . 2 2 38 38 GLY HA3 H 1 5.064 0.03 . 2 . . . . 38 GLY HA2 . 15028 2 370 . 2 2 38 38 GLY CA C 13 43.125 0.30 . 1 . . . . 38 GLY CA . 15028 2 371 . 2 2 38 38 GLY N N 15 103.093 0.30 . 1 . . . . 38 GLY N . 15028 2 372 . 2 2 39 39 ILE H H 1 7.337 0.03 . 1 . . . . 39 ILE HN . 15028 2 373 . 2 2 39 39 ILE HA H 1 3.739 0.03 . 1 . . . . 39 ILE HA . 15028 2 374 . 2 2 39 39 ILE HB H 1 2.095 0.03 . 1 . . . . 39 ILE HB . 15028 2 375 . 2 2 39 39 ILE HG12 H 1 1.089 0.03 . 1 . . . . 39 ILE HG11 . 15028 2 376 . 2 2 39 39 ILE HG13 H 1 1.752 0.03 . 1 . . . . 39 ILE HG12 . 15028 2 377 . 2 2 39 39 ILE HG21 H 1 0.787 0.03 . 1 . . . . 39 ILE HG2 . 15028 2 378 . 2 2 39 39 ILE HG22 H 1 0.787 0.03 . 1 . . . . 39 ILE HG2 . 15028 2 379 . 2 2 39 39 ILE HG23 H 1 0.787 0.03 . 1 . . . . 39 ILE HG2 . 15028 2 380 . 2 2 39 39 ILE HD11 H 1 0.956 0.03 . 1 . . . . 39 ILE HD1 . 15028 2 381 . 2 2 39 39 ILE HD12 H 1 0.956 0.03 . 1 . . . . 39 ILE HD1 . 15028 2 382 . 2 2 39 39 ILE HD13 H 1 0.956 0.03 . 1 . . . . 39 ILE HD1 . 15028 2 383 . 2 2 39 39 ILE CA C 13 64.876 0.30 . 1 . . . . 39 ILE CA . 15028 2 384 . 2 2 39 39 ILE CB C 13 38.375 0.30 . 1 . . . . 39 ILE CB . 15028 2 385 . 2 2 39 39 ILE CG1 C 13 28.617 0.30 . 1 . . . . 39 ILE CG1 . 15028 2 386 . 2 2 39 39 ILE CG2 C 13 14.374 0.30 . 1 . . . . 39 ILE CG2 . 15028 2 387 . 2 2 39 39 ILE CD1 C 13 17.374 0.30 . 1 . . . . 39 ILE CD1 . 15028 2 388 . 2 2 39 39 ILE N N 15 119.382 0.30 . 1 . . . . 39 ILE N . 15028 2 389 . 2 2 40 40 GLU H H 1 7.712 0.03 . 1 . . . . 40 GLU HN . 15028 2 390 . 2 2 40 40 GLU HA H 1 4.354 0.03 . 1 . . . . 40 GLU HA . 15028 2 391 . 2 2 40 40 GLU HB2 H 1 1.552 0.03 . 2 . . . . 40 GLU HB1 . 15028 2 392 . 2 2 40 40 GLU HB3 H 1 2.062 0.03 . 2 . . . . 40 GLU HB2 . 15028 2 393 . 2 2 40 40 GLU HG2 H 1 2.042 0.03 . 2 . . . . 40 GLU HG2 . 15028 2 394 . 2 2 40 40 GLU CA C 13 54.500 0.30 . 1 . . . . 40 GLU CA . 15028 2 395 . 2 2 40 40 GLU CB C 13 33.625 0.30 . 1 . . . . 40 GLU CB . 15028 2 396 . 2 2 40 40 GLU CG C 13 35.818 0.30 . 1 . . . . 40 GLU CG . 15028 2 397 . 2 2 40 40 GLU N N 15 114.108 0.30 . 1 . . . . 40 GLU N . 15028 2 398 . 2 2 41 41 ALA H H 1 7.957 0.03 . 1 . . . . 41 ALA HN . 15028 2 399 . 2 2 41 41 ALA HA H 1 4.485 0.03 . 1 . . . . 41 ALA HA . 15028 2 400 . 2 2 41 41 ALA HB1 H 1 1.013 0.03 . 1 . . . . 41 ALA HB . 15028 2 401 . 2 2 41 41 ALA HB2 H 1 1.013 0.03 . 1 . . . . 41 ALA HB . 15028 2 402 . 2 2 41 41 ALA HB3 H 1 1.013 0.03 . 1 . . . . 41 ALA HB . 15028 2 403 . 2 2 41 41 ALA CA C 13 51.375 0.30 . 1 . . . . 41 ALA CA . 15028 2 404 . 2 2 41 41 ALA CB C 13 19.749 0.30 . 1 . . . . 41 ALA CB . 15028 2 405 . 2 2 41 41 ALA N N 15 120.085 0.30 . 1 . . . . 41 ALA N . 15028 2 406 . 2 2 42 42 HIS H H 1 9.114 0.03 . 1 . . . . 42 HIS HN . 15028 2 407 . 2 2 42 42 HIS HA H 1 4.845 0.03 . 1 . . . . 42 HIS HA . 15028 2 408 . 2 2 42 42 HIS HB2 H 1 2.895 0.03 . 2 . . . . 42 HIS HB1 . 15028 2 409 . 2 2 42 42 HIS HB3 H 1 3.356 0.03 . 2 . . . . 42 HIS HB2 . 15028 2 410 . 2 2 42 42 HIS CA C 13 54.908 0.30 . 1 . . . . 42 HIS CA . 15028 2 411 . 2 2 42 42 HIS CB C 13 30.250 0.30 . 1 . . . . 42 HIS CB . 15028 2 412 . 2 2 42 42 HIS N N 15 119.964 0.30 . 1 . . . . 42 HIS N . 15028 2 413 . 2 2 43 43 GLY H H 1 7.801 0.03 . 1 . . . . 43 GLY HN . 15028 2 414 . 2 2 43 43 GLY HA2 H 1 4.761 0.03 . 2 . . . . 43 GLY HA1 . 15028 2 415 . 2 2 43 43 GLY HA3 H 1 3.828 0.03 . 2 . . . . 43 GLY HA2 . 15028 2 416 . 2 2 43 43 GLY CA C 13 44.250 0.30 . 1 . . . . 43 GLY CA . 15028 2 417 . 2 2 43 43 GLY N N 15 107.311 0.30 . 1 . . . . 43 GLY N . 15028 2 418 . 2 2 44 44 LEU H H 1 9.012 0.03 . 1 . . . . 44 LEU HN . 15028 2 419 . 2 2 44 44 LEU HA H 1 4.117 0.03 . 1 . . . . 44 LEU HA . 15028 2 420 . 2 2 44 44 LEU HB2 H 1 1.222 0.03 . 2 . . . . 44 LEU HB1 . 15028 2 421 . 2 2 44 44 LEU HB3 H 1 1.564 0.03 . 2 . . . . 44 LEU HB2 . 15028 2 422 . 2 2 44 44 LEU HG H 1 1.440 0.03 . 1 . . . . 44 LEU HG . 15028 2 423 . 2 2 44 44 LEU HD11 H 1 0.662 0.03 . 2 . . . . 44 LEU HD1 . 15028 2 424 . 2 2 44 44 LEU HD12 H 1 0.662 0.03 . 2 . . . . 44 LEU HD1 . 15028 2 425 . 2 2 44 44 LEU HD13 H 1 0.662 0.03 . 2 . . . . 44 LEU HD1 . 15028 2 426 . 2 2 44 44 LEU HD21 H 1 0.785 0.03 . 2 . . . . 44 LEU HD2 . 15028 2 427 . 2 2 44 44 LEU HD22 H 1 0.785 0.03 . 2 . . . . 44 LEU HD2 . 15028 2 428 . 2 2 44 44 LEU HD23 H 1 0.785 0.03 . 2 . . . . 44 LEU HD2 . 15028 2 429 . 2 2 44 44 LEU CA C 13 56.684 0.30 . 1 . . . . 44 LEU CA . 15028 2 430 . 2 2 44 44 LEU CB C 13 42.250 0.30 . 1 . . . . 44 LEU CB . 15028 2 431 . 2 2 44 44 LEU CG C 13 28.250 0.30 . 1 . . . . 44 LEU CG . 15028 2 432 . 2 2 44 44 LEU CD1 C 13 24.500 0.30 . 1 . . . . 44 LEU CD1 . 15028 2 433 . 2 2 44 44 LEU CD2 C 13 25.125 0.30 . 1 . . . . 44 LEU CD2 . 15028 2 434 . 2 2 44 44 LEU N N 15 121.311 0.30 . 1 . . . . 44 LEU N . 15028 2 435 . 2 2 45 45 ASN H H 1 8.419 0.03 . 1 . . . . 45 ASN HN . 15028 2 436 . 2 2 45 45 ASN HA H 1 5.090 0.03 . 1 . . . . 45 ASN HA . 15028 2 437 . 2 2 45 45 ASN HB2 H 1 2.838 0.03 . 1 . . . . 45 ASN HB1 . 15028 2 438 . 2 2 45 45 ASN HB3 H 1 2.838 0.03 . 1 . . . . 45 ASN HB2 . 15028 2 439 . 2 2 45 45 ASN HD21 H 1 9.023 0.03 . 2 . . . . 45 ASN HD21 . 15028 2 440 . 2 2 45 45 ASN HD22 H 1 7.960 0.03 . 2 . . . . 45 ASN HD22 . 15028 2 441 . 2 2 45 45 ASN CA C 13 51.500 0.30 . 1 . . . . 45 ASN CA . 15028 2 442 . 2 2 45 45 ASN CB C 13 39.625 0.30 . 1 . . . . 45 ASN CB . 15028 2 443 . 2 2 45 45 ASN N N 15 125.476 0.30 . 1 . . . . 45 ASN N . 15028 2 444 . 2 2 45 45 ASN ND2 N 15 115.983 0.30 . 1 . . . . 45 ASN ND2 . 15028 2 445 . 2 2 46 46 PRO HA H 1 4.241 0.03 . 1 . . . . 46 PRO HA . 15028 2 446 . 2 2 46 46 PRO HB2 H 1 1.949 0.03 . 2 . . . . 46 PRO HB1 . 15028 2 447 . 2 2 46 46 PRO HB3 H 1 2.377 0.03 . 2 . . . . 46 PRO HB2 . 15028 2 448 . 2 2 46 46 PRO HG2 H 1 2.037 0.03 . 2 . . . . 46 PRO HG1 . 15028 2 449 . 2 2 46 46 PRO HG3 H 1 2.096 0.03 . 2 . . . . 46 PRO HG2 . 15028 2 450 . 2 2 46 46 PRO HD2 H 1 3.869 0.03 . 2 . . . . 46 PRO HD1 . 15028 2 451 . 2 2 46 46 PRO HD3 H 1 4.108 0.03 . 2 . . . . 46 PRO HD2 . 15028 2 452 . 2 2 46 46 PRO CA C 13 65.376 0.30 . 1 . . . . 46 PRO CA . 15028 2 453 . 2 2 46 46 PRO CB C 13 32.010 0.30 . 1 . . . . 46 PRO CB . 15028 2 454 . 2 2 46 46 PRO CG C 13 27.500 0.30 . 1 . . . . 46 PRO CG . 15028 2 455 . 2 2 46 46 PRO CD C 13 51.375 0.30 . 1 . . . . 46 PRO CD . 15028 2 456 . 2 2 47 47 ASN H H 1 8.591 0.03 . 1 . . . . 47 ASN HN . 15028 2 457 . 2 2 47 47 ASN HA H 1 4.457 0.03 . 1 . . . . 47 ASN HA . 15028 2 458 . 2 2 47 47 ASN HB2 H 1 1.291 0.03 . 2 . . . . 47 ASN HB1 . 15028 2 459 . 2 2 47 47 ASN HB3 H 1 1.864 0.03 . 2 . . . . 47 ASN HB2 . 15028 2 460 . 2 2 47 47 ASN HD21 H 1 7.250 0.03 . 2 . . . . 47 ASN HD21 . 15028 2 461 . 2 2 47 47 ASN HD22 H 1 6.964 0.03 . 2 . . . . 47 ASN HD22 . 15028 2 462 . 2 2 47 47 ASN CA C 13 55.625 0.30 . 1 . . . . 47 ASN CA . 15028 2 463 . 2 2 47 47 ASN CB C 13 36.750 0.30 . 1 . . . . 47 ASN CB . 15028 2 464 . 2 2 47 47 ASN N N 15 116.569 0.30 . 1 . . . . 47 ASN N . 15028 2 465 . 2 2 47 47 ASN ND2 N 15 113.405 0.30 . 1 . . . . 47 ASN ND2 . 15028 2 466 . 2 2 48 48 ALA H H 1 7.797 0.03 . 1 . . . . 48 ALA HN . 15028 2 467 . 2 2 48 48 ALA HA H 1 4.267 0.03 . 1 . . . . 48 ALA HA . 15028 2 468 . 2 2 48 48 ALA HB1 H 1 1.733 0.03 . 1 . . . . 48 ALA HB . 15028 2 469 . 2 2 48 48 ALA HB2 H 1 1.733 0.03 . 1 . . . . 48 ALA HB . 15028 2 470 . 2 2 48 48 ALA HB3 H 1 1.733 0.03 . 1 . . . . 48 ALA HB . 15028 2 471 . 2 2 48 48 ALA CA C 13 55.375 0.30 . 1 . . . . 48 ALA CA . 15028 2 472 . 2 2 48 48 ALA CB C 13 18.249 0.30 . 1 . . . . 48 ALA CB . 15028 2 473 . 2 2 48 48 ALA N N 15 123.015 0.30 . 1 . . . . 48 ALA N . 15028 2 474 . 2 2 49 49 VAL H H 1 7.472 0.03 . 1 . . . . 49 VAL HN . 15028 2 475 . 2 2 49 49 VAL HA H 1 3.351 0.03 . 1 . . . . 49 VAL HA . 15028 2 476 . 2 2 49 49 VAL HB H 1 2.222 0.03 . 1 . . . . 49 VAL HB . 15028 2 477 . 2 2 49 49 VAL HG11 H 1 0.904 0.03 . 2 . . . . 49 VAL HG1 . 15028 2 478 . 2 2 49 49 VAL HG12 H 1 0.904 0.03 . 2 . . . . 49 VAL HG1 . 15028 2 479 . 2 2 49 49 VAL HG13 H 1 0.904 0.03 . 2 . . . . 49 VAL HG1 . 15028 2 480 . 2 2 49 49 VAL HG21 H 1 0.939 0.03 . 2 . . . . 49 VAL HG2 . 15028 2 481 . 2 2 49 49 VAL HG22 H 1 0.939 0.03 . 2 . . . . 49 VAL HG2 . 15028 2 482 . 2 2 49 49 VAL HG23 H 1 0.939 0.03 . 2 . . . . 49 VAL HG2 . 15028 2 483 . 2 2 49 49 VAL CA C 13 66.251 0.30 . 1 . . . . 49 VAL CA . 15028 2 484 . 2 2 49 49 VAL CB C 13 31.625 0.30 . 1 . . . . 49 VAL CB . 15028 2 485 . 2 2 49 49 VAL CG1 C 13 21.250 0.30 . 1 . . . . 49 VAL CG1 . 15028 2 486 . 2 2 49 49 VAL CG2 C 13 22.250 0.30 . 1 . . . . 49 VAL CG2 . 15028 2 487 . 2 2 49 49 VAL N N 15 118.327 0.30 . 1 . . . . 49 VAL N . 15028 2 488 . 2 2 50 50 LYS H H 1 8.107 0.03 . 1 . . . . 50 LYS HN . 15028 2 489 . 2 2 50 50 LYS HA H 1 4.005 0.03 . 1 . . . . 50 LYS HA . 15028 2 490 . 2 2 50 50 LYS HB2 H 1 1.893 0.03 . 2 . . . . 50 LYS HB2 . 15028 2 491 . 2 2 50 50 LYS HG2 H 1 1.283 0.03 . 2 . . . . 50 LYS HG1 . 15028 2 492 . 2 2 50 50 LYS HG3 H 1 1.458 0.03 . 2 . . . . 50 LYS HG2 . 15028 2 493 . 2 2 50 50 LYS HD2 H 1 1.095 0.03 . 2 . . . . 50 LYS HD1 . 15028 2 494 . 2 2 50 50 LYS HD3 H 1 1.355 0.03 . 2 . . . . 50 LYS HD2 . 15028 2 495 . 2 2 50 50 LYS HE2 H 1 2.246 0.03 . 2 . . . . 50 LYS HE1 . 15028 2 496 . 2 2 50 50 LYS HE3 H 1 2.388 0.03 . 2 . . . . 50 LYS HE2 . 15028 2 497 . 2 2 50 50 LYS CA C 13 60.125 0.30 . 1 . . . . 50 LYS CA . 15028 2 498 . 2 2 50 50 LYS CB C 13 33.375 0.30 . 1 . . . . 50 LYS CB . 15028 2 499 . 2 2 50 50 LYS CG C 13 25.125 0.30 . 1 . . . . 50 LYS CG . 15028 2 500 . 2 2 50 50 LYS CD C 13 29.375 0.30 . 1 . . . . 50 LYS CD . 15028 2 501 . 2 2 50 50 LYS CE C 13 41.625 0.30 . 1 . . . . 50 LYS CE . 15028 2 502 . 2 2 50 50 LYS N N 15 121.726 0.30 . 1 . . . . 50 LYS N . 15028 2 503 . 2 2 51 51 ALA H H 1 8.603 0.03 . 1 . . . . 51 ALA HN . 15028 2 504 . 2 2 51 51 ALA HA H 1 4.260 0.03 . 1 . . . . 51 ALA HA . 15028 2 505 . 2 2 51 51 ALA HB1 H 1 1.442 0.03 . 1 . . . . 51 ALA HB . 15028 2 506 . 2 2 51 51 ALA HB2 H 1 1.442 0.03 . 1 . . . . 51 ALA HB . 15028 2 507 . 2 2 51 51 ALA HB3 H 1 1.442 0.03 . 1 . . . . 51 ALA HB . 15028 2 508 . 2 2 51 51 ALA CA C 13 55.625 0.30 . 1 . . . . 51 ALA CA . 15028 2 509 . 2 2 51 51 ALA CB C 13 17.087 0.30 . 1 . . . . 51 ALA CB . 15028 2 510 . 2 2 51 51 ALA N N 15 121.374 0.30 . 1 . . . . 51 ALA N . 15028 2 511 . 2 2 52 52 MET H H 1 7.897 0.03 . 1 . . . . 52 MET HN . 15028 2 512 . 2 2 52 52 MET HA H 1 4.515 0.03 . 1 . . . . 52 MET HA . 15028 2 513 . 2 2 52 52 MET HB2 H 1 1.839 0.03 . 2 . . . . 52 MET HB1 . 15028 2 514 . 2 2 52 52 MET HB3 H 1 2.037 0.03 . 2 . . . . 52 MET HB2 . 15028 2 515 . 2 2 52 52 MET HE1 H 1 0.810 0.03 . 1 . . . . 52 MET HE . 15028 2 516 . 2 2 52 52 MET HE2 H 1 0.810 0.03 . 1 . . . . 52 MET HE . 15028 2 517 . 2 2 52 52 MET HE3 H 1 0.810 0.03 . 1 . . . . 52 MET HE . 15028 2 518 . 2 2 52 52 MET CA C 13 55.375 0.30 . 1 . . . . 52 MET CA . 15028 2 519 . 2 2 52 52 MET CB C 13 28.856 0.30 . 1 . . . . 52 MET CB . 15028 2 520 . 2 2 52 52 MET CG C 13 33.000 0.30 . 1 . . . . 52 MET CG . 15028 2 521 . 2 2 52 52 MET CE C 13 14.874 0.30 . 1 . . . . 52 MET CE . 15028 2 522 . 2 2 52 52 MET N N 15 115.632 0.30 . 1 . . . . 52 MET N . 15028 2 523 . 2 2 53 53 LYS H H 1 8.049 0.03 . 1 . . . . 53 LYS HN . 15028 2 524 . 2 2 53 53 LYS HA H 1 3.867 0.03 . 1 . . . . 53 LYS HA . 15028 2 525 . 2 2 53 53 LYS HB2 H 1 1.985 0.03 . 1 . . . . 53 LYS HB1 . 15028 2 526 . 2 2 53 53 LYS HB3 H 1 1.985 0.03 . 1 . . . . 53 LYS HB2 . 15028 2 527 . 2 2 53 53 LYS HG2 H 1 1.430 0.03 . 2 . . . . 53 LYS HG1 . 15028 2 528 . 2 2 53 53 LYS HG3 H 1 1.529 0.03 . 2 . . . . 53 LYS HG2 . 15028 2 529 . 2 2 53 53 LYS HD2 H 1 1.618 0.03 . 1 . . . . 53 LYS HD1 . 15028 2 530 . 2 2 53 53 LYS HD3 H 1 1.618 0.03 . 1 . . . . 53 LYS HD2 . 15028 2 531 . 2 2 53 53 LYS HE2 H 1 2.905 0.03 . 2 . . . . 53 LYS HE2 . 15028 2 532 . 2 2 53 53 LYS CA C 13 59.376 0.30 . 1 . . . . 53 LYS CA . 15028 2 533 . 2 2 53 53 LYS CB C 13 32.250 0.30 . 1 . . . . 53 LYS CB . 15028 2 534 . 2 2 53 53 LYS CG C 13 25.000 0.30 . 1 . . . . 53 LYS CG . 15028 2 535 . 2 2 53 53 LYS CD C 13 29.125 0.30 . 1 . . . . 53 LYS CD . 15028 2 536 . 2 2 53 53 LYS CE C 13 42.000 0.30 . 1 . . . . 53 LYS CE . 15028 2 537 . 2 2 53 53 LYS N N 15 123.015 0.30 . 1 . . . . 53 LYS N . 15028 2 538 . 2 2 54 54 GLU H H 1 7.599 0.03 . 1 . . . . 54 GLU HN . 15028 2 539 . 2 2 54 54 GLU HA H 1 4.190 0.03 . 1 . . . . 54 GLU HA . 15028 2 540 . 2 2 54 54 GLU HB2 H 1 2.272 0.03 . 2 . . . . 54 GLU HB2 . 15028 2 541 . 2 2 54 54 GLU HG2 H 1 2.445 0.03 . 2 . . . . 54 GLU HG1 . 15028 2 542 . 2 2 54 54 GLU HG3 H 1 2.663 0.03 . 2 . . . . 54 GLU HG2 . 15028 2 543 . 2 2 54 54 GLU CA C 13 59.251 0.30 . 1 . . . . 54 GLU CA . 15028 2 544 . 2 2 54 54 GLU CB C 13 30.250 0.30 . 1 . . . . 54 GLU CB . 15028 2 545 . 2 2 54 54 GLU CG C 13 37.375 0.30 . 1 . . . . 54 GLU CG . 15028 2 546 . 2 2 54 54 GLU N N 15 117.975 0.30 . 1 . . . . 54 GLU N . 15028 2 547 . 2 2 55 55 VAL H H 1 7.161 0.03 . 1 . . . . 55 VAL HN . 15028 2 548 . 2 2 55 55 VAL HA H 1 4.686 0.03 . 1 . . . . 55 VAL HA . 15028 2 549 . 2 2 55 55 VAL HB H 1 2.640 0.03 . 1 . . . . 55 VAL HB . 15028 2 550 . 2 2 55 55 VAL HG11 H 1 0.663 0.03 . 2 . . . . 55 VAL HG1 . 15028 2 551 . 2 2 55 55 VAL HG12 H 1 0.663 0.03 . 2 . . . . 55 VAL HG1 . 15028 2 552 . 2 2 55 55 VAL HG13 H 1 0.663 0.03 . 2 . . . . 55 VAL HG1 . 15028 2 553 . 2 2 55 55 VAL HG21 H 1 1.019 0.03 . 2 . . . . 55 VAL HG2 . 15028 2 554 . 2 2 55 55 VAL HG22 H 1 1.019 0.03 . 2 . . . . 55 VAL HG2 . 15028 2 555 . 2 2 55 55 VAL HG23 H 1 1.019 0.03 . 2 . . . . 55 VAL HG2 . 15028 2 556 . 2 2 55 55 VAL CA C 13 60.000 0.30 . 1 . . . . 55 VAL CA . 15028 2 557 . 2 2 55 55 VAL CB C 13 30.500 0.30 . 1 . . . . 55 VAL CB . 15028 2 558 . 2 2 55 55 VAL CG1 C 13 19.874 0.30 . 1 . . . . 55 VAL CG1 . 15028 2 559 . 2 2 55 55 VAL CG2 C 13 21.249 0.30 . 1 . . . . 55 VAL CG2 . 15028 2 560 . 2 2 55 55 VAL N N 15 108.132 0.30 . 1 . . . . 55 VAL N . 15028 2 561 . 2 2 56 56 GLY H H 1 7.749 0.03 . 1 . . . . 56 GLY HN . 15028 2 562 . 2 2 56 56 GLY HA2 H 1 3.730 0.03 . 2 . . . . 56 GLY HA1 . 15028 2 563 . 2 2 56 56 GLY HA3 H 1 4.094 0.03 . 2 . . . . 56 GLY HA2 . 15028 2 564 . 2 2 56 56 GLY CA C 13 45.875 0.30 . 1 . . . . 56 GLY CA . 15028 2 565 . 2 2 56 56 GLY N N 15 108.015 0.30 . 1 . . . . 56 GLY N . 15028 2 566 . 2 2 57 57 ILE H H 1 7.749 0.03 . 1 . . . . 57 ILE HN . 15028 2 567 . 2 2 57 57 ILE HA H 1 4.008 0.03 . 1 . . . . 57 ILE HA . 15028 2 568 . 2 2 57 57 ILE HB H 1 0.946 0.03 . 1 . . . . 57 ILE HB . 15028 2 569 . 2 2 57 57 ILE HG12 H 1 0.528 0.03 . 1 . . . . 57 ILE HG11 . 15028 2 570 . 2 2 57 57 ILE HG13 H 1 1.045 0.03 . 1 . . . . 57 ILE HG12 . 15028 2 571 . 2 2 57 57 ILE HG21 H 1 0.359 0.03 . 1 . . . . 57 ILE HG2 . 15028 2 572 . 2 2 57 57 ILE HG22 H 1 0.359 0.03 . 1 . . . . 57 ILE HG2 . 15028 2 573 . 2 2 57 57 ILE HG23 H 1 0.359 0.03 . 1 . . . . 57 ILE HG2 . 15028 2 574 . 2 2 57 57 ILE HD11 H 1 -0.045 0.03 . 1 . . . . 57 ILE HD1 . 15028 2 575 . 2 2 57 57 ILE HD12 H 1 -0.045 0.03 . 1 . . . . 57 ILE HD1 . 15028 2 576 . 2 2 57 57 ILE HD13 H 1 -0.045 0.03 . 1 . . . . 57 ILE HD1 . 15028 2 577 . 2 2 57 57 ILE CA C 13 60.500 0.30 . 1 . . . . 57 ILE CA . 15028 2 578 . 2 2 57 57 ILE CB C 13 40.125 0.30 . 1 . . . . 57 ILE CB . 15028 2 579 . 2 2 57 57 ILE CG1 C 13 27.250 0.30 . 1 . . . . 57 ILE CG1 . 15028 2 580 . 2 2 57 57 ILE CG2 C 13 16.874 0.30 . 1 . . . . 57 ILE CG2 . 15028 2 581 . 2 2 57 57 ILE CD1 C 13 13.749 0.30 . 1 . . . . 57 ILE CD1 . 15028 2 582 . 2 2 57 57 ILE N N 15 121.491 0.30 . 1 . . . . 57 ILE N . 15028 2 583 . 2 2 58 58 ASP H H 1 8.816 0.03 . 1 . . . . 58 ASP HN . 15028 2 584 . 2 2 58 58 ASP HA H 1 4.607 0.03 . 1 . . . . 58 ASP HA . 15028 2 585 . 2 2 58 58 ASP HB2 H 1 2.923 0.03 . 2 . . . . 58 ASP HB1 . 15028 2 586 . 2 2 58 58 ASP HB3 H 1 2.487 0.03 . 2 . . . . 58 ASP HB2 . 15028 2 587 . 2 2 58 58 ASP CA C 13 52.375 0.30 . 1 . . . . 58 ASP CA . 15028 2 588 . 2 2 58 58 ASP CB C 13 41.000 0.30 . 1 . . . . 58 ASP CB . 15028 2 589 . 2 2 58 58 ASP N N 15 127.585 0.30 . 1 . . . . 58 ASP N . 15028 2 590 . 2 2 59 59 ILE H H 1 8.441 0.03 . 1 . . . . 59 ILE HN . 15028 2 591 . 2 2 59 59 ILE HA H 1 4.513 0.03 . 1 . . . . 59 ILE HA . 15028 2 592 . 2 2 59 59 ILE HB H 1 2.261 0.03 . 1 . . . . 59 ILE HB . 15028 2 593 . 2 2 59 59 ILE HG12 H 1 1.033 0.03 . 1 . . . . 59 ILE HG11 . 15028 2 594 . 2 2 59 59 ILE HG13 H 1 1.125 0.03 . 1 . . . . 59 ILE HG12 . 15028 2 595 . 2 2 59 59 ILE HG21 H 1 0.701 0.03 . 1 . . . . 59 ILE HG2 . 15028 2 596 . 2 2 59 59 ILE HG22 H 1 0.701 0.03 . 1 . . . . 59 ILE HG2 . 15028 2 597 . 2 2 59 59 ILE HG23 H 1 0.701 0.03 . 1 . . . . 59 ILE HG2 . 15028 2 598 . 2 2 59 59 ILE HD11 H 1 0.553 0.03 . 1 . . . . 59 ILE HD1 . 15028 2 599 . 2 2 59 59 ILE HD12 H 1 0.553 0.03 . 1 . . . . 59 ILE HD1 . 15028 2 600 . 2 2 59 59 ILE HD13 H 1 0.553 0.03 . 1 . . . . 59 ILE HD1 . 15028 2 601 . 2 2 59 59 ILE CA C 13 61.251 0.30 . 1 . . . . 59 ILE CA . 15028 2 602 . 2 2 59 59 ILE CB C 13 37.625 0.30 . 1 . . . . 59 ILE CB . 15028 2 603 . 2 2 59 59 ILE CG1 C 13 28.000 0.30 . 1 . . . . 59 ILE CG1 . 15028 2 604 . 2 2 59 59 ILE CG2 C 13 18.124 0.30 . 1 . . . . 59 ILE CG2 . 15028 2 605 . 2 2 59 59 ILE CD1 C 13 14.374 0.30 . 1 . . . . 59 ILE CD1 . 15028 2 606 . 2 2 59 59 ILE N N 15 119.382 0.30 . 1 . . . . 59 ILE N . 15028 2 607 . 2 2 60 60 SER H H 1 8.537 0.03 . 1 . . . . 60 SER HN . 15028 2 608 . 2 2 60 60 SER HA H 1 3.794 0.03 . 1 . . . . 60 SER HA . 15028 2 609 . 2 2 60 60 SER HB2 H 1 3.823 0.03 . 2 . . . . 60 SER HB1 . 15028 2 610 . 2 2 60 60 SER HB3 H 1 3.923 0.03 . 2 . . . . 60 SER HB2 . 15028 2 611 . 2 2 60 60 SER CA C 13 62.126 0.30 . 1 . . . . 60 SER CA . 15028 2 612 . 2 2 60 60 SER CB C 13 63.376 0.30 . 1 . . . . 60 SER CB . 15028 2 613 . 2 2 60 60 SER N N 15 116.686 0.30 . 1 . . . . 60 SER N . 15028 2 614 . 2 2 61 61 ASN H H 1 8.251 0.03 . 1 . . . . 61 ASN HN . 15028 2 615 . 2 2 61 61 ASN HA H 1 4.898 0.03 . 1 . . . . 61 ASN HA . 15028 2 616 . 2 2 61 61 ASN HB2 H 1 2.647 0.03 . 2 . . . . 61 ASN HB1 . 15028 2 617 . 2 2 61 61 ASN HB3 H 1 2.832 0.03 . 2 . . . . 61 ASN HB2 . 15028 2 618 . 2 2 61 61 ASN HD21 H 1 7.433 0.03 . 2 . . . . 61 ASN HD21 . 15028 2 619 . 2 2 61 61 ASN HD22 H 1 6.783 0.03 . 2 . . . . 61 ASN HD22 . 15028 2 620 . 2 2 61 61 ASN CA C 13 52.750 0.30 . 1 . . . . 61 ASN CA . 15028 2 621 . 2 2 61 61 ASN CB C 13 39.125 0.30 . 1 . . . . 61 ASN CB . 15028 2 622 . 2 2 61 61 ASN N N 15 117.858 0.30 . 1 . . . . 61 ASN N . 15028 2 623 . 2 2 61 61 ASN ND2 N 15 113.288 0.30 . 1 . . . . 61 ASN ND2 . 15028 2 624 . 2 2 62 62 GLN H H 1 7.556 0.03 . 1 . . . . 62 GLN HN . 15028 2 625 . 2 2 62 62 GLN HA H 1 4.274 0.03 . 1 . . . . 62 GLN HA . 15028 2 626 . 2 2 62 62 GLN HB2 H 1 2.125 0.03 . 2 . . . . 62 GLN HB1 . 15028 2 627 . 2 2 62 62 GLN HB3 H 1 2.415 0.03 . 2 . . . . 62 GLN HB2 . 15028 2 628 . 2 2 62 62 GLN HE21 H 1 8.350 0.03 . 2 . . . . 62 GLN HE21 . 15028 2 629 . 2 2 62 62 GLN HE22 H 1 6.597 0.03 . 2 . . . . 62 GLN HE22 . 15028 2 630 . 2 2 62 62 GLN CA C 13 57.125 0.30 . 1 . . . . 62 GLN CA . 15028 2 631 . 2 2 62 62 GLN CB C 13 28.250 0.30 . 1 . . . . 62 GLN CB . 15028 2 632 . 2 2 62 62 GLN CG C 13 36.378 0.30 . 1 . . . . 62 GLN CG . 15028 2 633 . 2 2 62 62 GLN N N 15 121.608 0.30 . 1 . . . . 62 GLN N . 15028 2 634 . 2 2 62 62 GLN NE2 N 15 110.124 0.30 . 1 . . . . 62 GLN NE2 . 15028 2 635 . 2 2 63 63 THR H H 1 8.659 0.03 . 1 . . . . 63 THR HN . 15028 2 636 . 2 2 63 63 THR HA H 1 4.355 0.03 . 1 . . . . 63 THR HA . 15028 2 637 . 2 2 63 63 THR HB H 1 4.346 0.03 . 1 . . . . 63 THR HB . 15028 2 638 . 2 2 63 63 THR HG21 H 1 1.203 0.03 . 1 . . . . 63 THR HG2 . 15028 2 639 . 2 2 63 63 THR HG22 H 1 1.203 0.03 . 1 . . . . 63 THR HG2 . 15028 2 640 . 2 2 63 63 THR HG23 H 1 1.203 0.03 . 1 . . . . 63 THR HG2 . 15028 2 641 . 2 2 63 63 THR CA C 13 60.125 0.30 . 1 . . . . 63 THR CA . 15028 2 642 . 2 2 63 63 THR CB C 13 69.824 0.30 . 1 . . . . 63 THR CB . 15028 2 643 . 2 2 63 63 THR CG2 C 13 22.500 0.30 . 1 . . . . 63 THR CG2 . 15028 2 644 . 2 2 63 63 THR N N 15 110.124 0.30 . 1 . . . . 63 THR N . 15028 2 645 . 2 2 64 64 SER H H 1 8.548 0.03 . 1 . . . . 64 SER HN . 15028 2 646 . 2 2 64 64 SER HA H 1 4.872 0.03 . 1 . . . . 64 SER HA . 15028 2 647 . 2 2 64 64 SER HB2 H 1 3.271 0.03 . 2 . . . . 64 SER HB1 . 15028 2 648 . 2 2 64 64 SER HB3 H 1 3.937 0.03 . 2 . . . . 64 SER HB2 . 15028 2 649 . 2 2 64 64 SER CA C 13 56.150 0.30 . 1 . . . . 64 SER CA . 15028 2 650 . 2 2 64 64 SER CB C 13 64.674 0.30 . 1 . . . . 64 SER CB . 15028 2 651 . 2 2 64 64 SER N N 15 121.140 0.30 . 1 . . . . 64 SER N . 15028 2 652 . 2 2 65 65 ASP H H 1 10.405 0.03 . 1 . . . . 65 ASP HN . 15028 2 653 . 2 2 65 65 ASP HA H 1 5.096 0.03 . 1 . . . . 65 ASP HA . 15028 2 654 . 2 2 65 65 ASP HB2 H 1 2.687 0.03 . 2 . . . . 65 ASP HB1 . 15028 2 655 . 2 2 65 65 ASP HB3 H 1 2.873 0.03 . 2 . . . . 65 ASP HB2 . 15028 2 656 . 2 2 65 65 ASP CA C 13 54.250 0.30 . 1 . . . . 65 ASP CA . 15028 2 657 . 2 2 65 65 ASP CB C 13 46.625 0.30 . 1 . . . . 65 ASP CB . 15028 2 658 . 2 2 65 65 ASP N N 15 131.101 0.30 . 1 . . . . 65 ASP N . 15028 2 659 . 2 2 66 66 ILE H H 1 7.908 0.03 . 1 . . . . 66 ILE HN . 15028 2 660 . 2 2 66 66 ILE HA H 1 5.084 0.03 . 1 . . . . 66 ILE HA . 15028 2 661 . 2 2 66 66 ILE HB H 1 1.949 0.03 . 1 . . . . 66 ILE HB . 15028 2 662 . 2 2 66 66 ILE HG12 H 1 1.164 0.03 . 1 . . . . 66 ILE HG11 . 15028 2 663 . 2 2 66 66 ILE HG13 H 1 1.420 0.03 . 1 . . . . 66 ILE HG12 . 15028 2 664 . 2 2 66 66 ILE HG21 H 1 0.981 0.03 . 1 . . . . 66 ILE HG2 . 15028 2 665 . 2 2 66 66 ILE HG22 H 1 0.981 0.03 . 1 . . . . 66 ILE HG2 . 15028 2 666 . 2 2 66 66 ILE HG23 H 1 0.981 0.03 . 1 . . . . 66 ILE HG2 . 15028 2 667 . 2 2 66 66 ILE HD11 H 1 0.924 0.03 . 1 . . . . 66 ILE HD1 . 15028 2 668 . 2 2 66 66 ILE HD12 H 1 0.924 0.03 . 1 . . . . 66 ILE HD1 . 15028 2 669 . 2 2 66 66 ILE HD13 H 1 0.924 0.03 . 1 . . . . 66 ILE HD1 . 15028 2 670 . 2 2 66 66 ILE CA C 13 59.500 0.30 . 1 . . . . 66 ILE CA . 15028 2 671 . 2 2 66 66 ILE CB C 13 39.250 0.30 . 1 . . . . 66 ILE CB . 15028 2 672 . 2 2 66 66 ILE CG1 C 13 26.750 0.30 . 1 . . . . 66 ILE CG1 . 15028 2 673 . 2 2 66 66 ILE CG2 C 13 18.749 0.30 . 1 . . . . 66 ILE CG2 . 15028 2 674 . 2 2 66 66 ILE CD1 C 13 13.874 0.30 . 1 . . . . 66 ILE CD1 . 15028 2 675 . 2 2 66 66 ILE N N 15 116.452 0.30 . 1 . . . . 66 ILE N . 15028 2 676 . 2 2 67 67 ILE H H 1 7.397 0.03 . 1 . . . . 67 ILE HN . 15028 2 677 . 2 2 67 67 ILE HA H 1 3.253 0.03 . 1 . . . . 67 ILE HA . 15028 2 678 . 2 2 67 67 ILE HB H 1 1.542 0.03 . 1 . . . . 67 ILE HB . 15028 2 679 . 2 2 67 67 ILE HG12 H 1 1.434 0.03 . 1 . . . . 67 ILE HG12 . 15028 2 680 . 2 2 67 67 ILE HG21 H 1 0.760 0.03 . 1 . . . . 67 ILE HG2 . 15028 2 681 . 2 2 67 67 ILE HG22 H 1 0.760 0.03 . 1 . . . . 67 ILE HG2 . 15028 2 682 . 2 2 67 67 ILE HG23 H 1 0.760 0.03 . 1 . . . . 67 ILE HG2 . 15028 2 683 . 2 2 67 67 ILE HD11 H 1 0.786 0.03 . 1 . . . . 67 ILE HD1 . 15028 2 684 . 2 2 67 67 ILE HD12 H 1 0.786 0.03 . 1 . . . . 67 ILE HD1 . 15028 2 685 . 2 2 67 67 ILE HD13 H 1 0.786 0.03 . 1 . . . . 67 ILE HD1 . 15028 2 686 . 2 2 67 67 ILE CA C 13 64.501 0.30 . 1 . . . . 67 ILE CA . 15028 2 687 . 2 2 67 67 ILE CB C 13 38.750 0.30 . 1 . . . . 67 ILE CB . 15028 2 688 . 2 2 67 67 ILE CG1 C 13 28.875 0.30 . 1 . . . . 67 ILE CG1 . 15028 2 689 . 2 2 67 67 ILE CG2 C 13 17.749 0.30 . 1 . . . . 67 ILE CG2 . 15028 2 690 . 2 2 67 67 ILE CD1 C 13 14.374 0.30 . 1 . . . . 67 ILE CD1 . 15028 2 691 . 2 2 67 67 ILE N N 15 123.249 0.30 . 1 . . . . 67 ILE N . 15028 2 692 . 2 2 68 68 ASP H H 1 8.162 0.03 . 1 . . . . 68 ASP HN . 15028 2 693 . 2 2 68 68 ASP HA H 1 4.845 0.03 . 1 . . . . 68 ASP HA . 15028 2 694 . 2 2 68 68 ASP HB2 H 1 2.553 0.03 . 2 . . . . 68 ASP HB1 . 15028 2 695 . 2 2 68 68 ASP HB3 H 1 2.796 0.03 . 2 . . . . 68 ASP HB2 . 15028 2 696 . 2 2 68 68 ASP CA C 13 52.422 0.30 . 1 . . . . 68 ASP CA . 15028 2 697 . 2 2 68 68 ASP CB C 13 43.500 0.30 . 1 . . . . 68 ASP CB . 15028 2 698 . 2 2 68 68 ASP N N 15 128.640 0.30 . 1 . . . . 68 ASP N . 15028 2 699 . 2 2 69 69 SER H H 1 9.050 0.03 . 1 . . . . 69 SER HN . 15028 2 700 . 2 2 69 69 SER HA H 1 3.984 0.03 . 1 . . . . 69 SER HA . 15028 2 701 . 2 2 69 69 SER HB2 H 1 3.867 0.03 . 2 . . . . 69 SER HB2 . 15028 2 702 . 2 2 69 69 SER CA C 13 62.251 0.30 . 1 . . . . 69 SER CA . 15028 2 703 . 2 2 69 69 SER CB C 13 63.126 0.30 . 1 . . . . 69 SER CB . 15028 2 704 . 2 2 69 69 SER N N 15 122.663 0.30 . 1 . . . . 69 SER N . 15028 2 705 . 2 2 70 70 ASP H H 1 8.376 0.03 . 1 . . . . 70 ASP HN . 15028 2 706 . 2 2 70 70 ASP HA H 1 4.441 0.03 . 1 . . . . 70 ASP HA . 15028 2 707 . 2 2 70 70 ASP HB2 H 1 2.515 0.03 . 2 . . . . 70 ASP HB1 . 15028 2 708 . 2 2 70 70 ASP HB3 H 1 2.720 0.03 . 2 . . . . 70 ASP HB2 . 15028 2 709 . 2 2 70 70 ASP CA C 13 57.375 0.30 . 1 . . . . 70 ASP CA . 15028 2 710 . 2 2 70 70 ASP CB C 13 40.500 0.30 . 1 . . . . 70 ASP CB . 15028 2 711 . 2 2 70 70 ASP N N 15 121.608 0.30 . 1 . . . . 70 ASP N . 15028 2 712 . 2 2 71 71 ILE H H 1 7.368 0.03 . 1 . . . . 71 ILE HN . 15028 2 713 . 2 2 71 71 ILE HA H 1 3.358 0.03 . 1 . . . . 71 ILE HA . 15028 2 714 . 2 2 71 71 ILE HB H 1 1.307 0.03 . 1 . . . . 71 ILE HB . 15028 2 715 . 2 2 71 71 ILE HG12 H 1 0.437 0.03 . 1 . . . . 71 ILE HG11 . 15028 2 716 . 2 2 71 71 ILE HG13 H 1 1.104 0.03 . 1 . . . . 71 ILE HG12 . 15028 2 717 . 2 2 71 71 ILE HG21 H 1 -0.463 0.03 . 1 . . . . 71 ILE HG2 . 15028 2 718 . 2 2 71 71 ILE HG22 H 1 -0.463 0.03 . 1 . . . . 71 ILE HG2 . 15028 2 719 . 2 2 71 71 ILE HG23 H 1 -0.463 0.03 . 1 . . . . 71 ILE HG2 . 15028 2 720 . 2 2 71 71 ILE HD11 H 1 0.094 0.03 . 1 . . . . 71 ILE HD1 . 15028 2 721 . 2 2 71 71 ILE HD12 H 1 0.094 0.03 . 1 . . . . 71 ILE HD1 . 15028 2 722 . 2 2 71 71 ILE HD13 H 1 0.094 0.03 . 1 . . . . 71 ILE HD1 . 15028 2 723 . 2 2 71 71 ILE CA C 13 64.501 0.30 . 1 . . . . 71 ILE CA . 15028 2 724 . 2 2 71 71 ILE CB C 13 37.125 0.30 . 1 . . . . 71 ILE CB . 15028 2 725 . 2 2 71 71 ILE CG1 C 13 27.750 0.30 . 1 . . . . 71 ILE CG1 . 15028 2 726 . 2 2 71 71 ILE CG2 C 13 16.124 0.30 . 1 . . . . 71 ILE CG2 . 15028 2 727 . 2 2 71 71 ILE CD1 C 13 11.249 0.30 . 1 . . . . 71 ILE CD1 . 15028 2 728 . 2 2 71 71 ILE N N 15 120.436 0.30 . 1 . . . . 71 ILE N . 15028 2 729 . 2 2 72 72 LEU H H 1 8.008 0.03 . 1 . . . . 72 LEU HN . 15028 2 730 . 2 2 72 72 LEU HA H 1 3.826 0.03 . 1 . . . . 72 LEU HA . 15028 2 731 . 2 2 72 72 LEU HB2 H 1 1.530 0.03 . 2 . . . . 72 LEU HB1 . 15028 2 732 . 2 2 72 72 LEU HB3 H 1 1.840 0.03 . 2 . . . . 72 LEU HB2 . 15028 2 733 . 2 2 72 72 LEU HD11 H 1 0.916 0.03 . 2 . . . . 72 LEU HD1 . 15028 2 734 . 2 2 72 72 LEU HD12 H 1 0.916 0.03 . 2 . . . . 72 LEU HD1 . 15028 2 735 . 2 2 72 72 LEU HD13 H 1 0.916 0.03 . 2 . . . . 72 LEU HD1 . 15028 2 736 . 2 2 72 72 LEU HD21 H 1 0.881 0.03 . 2 . . . . 72 LEU HD2 . 15028 2 737 . 2 2 72 72 LEU HD22 H 1 0.881 0.03 . 2 . . . . 72 LEU HD2 . 15028 2 738 . 2 2 72 72 LEU HD23 H 1 0.881 0.03 . 2 . . . . 72 LEU HD2 . 15028 2 739 . 2 2 72 72 LEU CA C 13 58.750 0.30 . 1 . . . . 72 LEU CA . 15028 2 740 . 2 2 72 72 LEU CB C 13 43.750 0.30 . 1 . . . . 72 LEU CB . 15028 2 741 . 2 2 72 72 LEU CD1 C 13 25.125 0.30 . 1 . . . . 72 LEU CD1 . 15028 2 742 . 2 2 72 72 LEU CD2 C 13 26.125 0.30 . 1 . . . . 72 LEU CD2 . 15028 2 743 . 2 2 72 72 LEU N N 15 118.210 0.30 . 1 . . . . 72 LEU N . 15028 2 744 . 2 2 73 73 ASN H H 1 7.677 0.03 . 1 . . . . 73 ASN HN . 15028 2 745 . 2 2 73 73 ASN HA H 1 4.404 0.03 . 1 . . . . 73 ASN HA . 15028 2 746 . 2 2 73 73 ASN HB2 H 1 2.806 0.03 . 2 . . . . 73 ASN HB2 . 15028 2 747 . 2 2 73 73 ASN HD21 H 1 7.596 0.03 . 2 . . . . 73 ASN HD21 . 15028 2 748 . 2 2 73 73 ASN HD22 H 1 6.928 0.03 . 2 . . . . 73 ASN HD22 . 15028 2 749 . 2 2 73 73 ASN CA C 13 55.500 0.30 . 1 . . . . 73 ASN CA . 15028 2 750 . 2 2 73 73 ASN CB C 13 39.250 0.30 . 1 . . . . 73 ASN CB . 15028 2 751 . 2 2 73 73 ASN N N 15 109.186 0.30 . 1 . . . . 73 ASN N . 15028 2 752 . 2 2 73 73 ASN ND2 N 15 112.585 0.30 . 1 . . . . 73 ASN ND2 . 15028 2 753 . 2 2 74 74 ASN H H 1 7.442 0.03 . 1 . . . . 74 ASN HN . 15028 2 754 . 2 2 74 74 ASN HA H 1 4.868 0.03 . 1 . . . . 74 ASN HA . 15028 2 755 . 2 2 74 74 ASN HB2 H 1 2.476 0.03 . 2 . . . . 74 ASN HB1 . 15028 2 756 . 2 2 74 74 ASN HB3 H 1 2.801 0.03 . 2 . . . . 74 ASN HB2 . 15028 2 757 . 2 2 74 74 ASN HD21 H 1 7.746 0.03 . 2 . . . . 74 ASN HD21 . 15028 2 758 . 2 2 74 74 ASN HD22 H 1 6.848 0.03 . 2 . . . . 74 ASN HD22 . 15028 2 759 . 2 2 74 74 ASN CA C 13 52.750 0.30 . 1 . . . . 74 ASN CA . 15028 2 760 . 2 2 74 74 ASN CB C 13 40.500 0.30 . 1 . . . . 74 ASN CB . 15028 2 761 . 2 2 74 74 ASN N N 15 116.218 0.30 . 1 . . . . 74 ASN N . 15028 2 762 . 2 2 74 74 ASN ND2 N 15 114.811 0.30 . 1 . . . . 74 ASN ND2 . 15028 2 763 . 2 2 75 75 ALA H H 1 7.215 0.03 . 1 . . . . 75 ALA HN . 15028 2 764 . 2 2 75 75 ALA HA H 1 3.958 0.03 . 1 . . . . 75 ALA HA . 15028 2 765 . 2 2 75 75 ALA HB1 H 1 1.296 0.03 . 1 . . . . 75 ALA HB . 15028 2 766 . 2 2 75 75 ALA HB2 H 1 1.296 0.03 . 1 . . . . 75 ALA HB . 15028 2 767 . 2 2 75 75 ALA HB3 H 1 1.296 0.03 . 1 . . . . 75 ALA HB . 15028 2 768 . 2 2 75 75 ALA CA C 13 53.125 0.30 . 1 . . . . 75 ALA CA . 15028 2 769 . 2 2 75 75 ALA CB C 13 18.750 0.30 . 1 . . . . 75 ALA CB . 15028 2 770 . 2 2 75 75 ALA N N 15 123.366 0.30 . 1 . . . . 75 ALA N . 15028 2 771 . 2 2 76 76 ASP H H 1 8.790 0.03 . 1 . . . . 76 ASP HN . 15028 2 772 . 2 2 76 76 ASP HA H 1 4.102 0.03 . 1 . . . . 76 ASP HA . 15028 2 773 . 2 2 76 76 ASP HB2 H 1 1.217 0.03 . 2 . . . . 76 ASP HB1 . 15028 2 774 . 2 2 76 76 ASP HB3 H 1 1.548 0.03 . 2 . . . . 76 ASP HB2 . 15028 2 775 . 2 2 76 76 ASP CA C 13 56.506 0.30 . 1 . . . . 76 ASP CA . 15028 2 776 . 2 2 76 76 ASP CB C 13 42.301 0.30 . 1 . . . . 76 ASP CB . 15028 2 777 . 2 2 76 76 ASP N N 15 120.202 0.30 . 1 . . . . 76 ASP N . 15028 2 778 . 2 2 77 77 LEU H H 1 7.833 0.03 . 1 . . . . 77 LEU HN . 15028 2 779 . 2 2 77 77 LEU HA H 1 4.682 0.03 . 1 . . . . 77 LEU HA . 15028 2 780 . 2 2 77 77 LEU HB2 H 1 1.494 0.03 . 2 . . . . 77 LEU HB1 . 15028 2 781 . 2 2 77 77 LEU HB3 H 1 1.518 0.03 . 2 . . . . 77 LEU HB2 . 15028 2 782 . 2 2 77 77 LEU HG H 1 0.963 0.03 . 1 . . . . 77 LEU HG . 15028 2 783 . 2 2 77 77 LEU HD11 H 1 0.474 0.03 . 2 . . . . 77 LEU HD1 . 15028 2 784 . 2 2 77 77 LEU HD12 H 1 0.474 0.03 . 2 . . . . 77 LEU HD1 . 15028 2 785 . 2 2 77 77 LEU HD13 H 1 0.474 0.03 . 2 . . . . 77 LEU HD1 . 15028 2 786 . 2 2 77 77 LEU HD21 H 1 0.675 0.03 . 2 . . . . 77 LEU HD2 . 15028 2 787 . 2 2 77 77 LEU HD22 H 1 0.675 0.03 . 2 . . . . 77 LEU HD2 . 15028 2 788 . 2 2 77 77 LEU HD23 H 1 0.675 0.03 . 2 . . . . 77 LEU HD2 . 15028 2 789 . 2 2 77 77 LEU CA C 13 54.875 0.30 . 1 . . . . 77 LEU CA . 15028 2 790 . 2 2 77 77 LEU CB C 13 45.625 0.30 . 1 . . . . 77 LEU CB . 15028 2 791 . 2 2 77 77 LEU CG C 13 27.625 0.30 . 1 . . . . 77 LEU CG . 15028 2 792 . 2 2 77 77 LEU CD1 C 13 26.875 0.30 . 1 . . . . 77 LEU CD1 . 15028 2 793 . 2 2 77 77 LEU CD2 C 13 23.219 0.30 . 1 . . . . 77 LEU CD2 . 15028 2 794 . 2 2 77 77 LEU N N 15 120.085 0.30 . 1 . . . . 77 LEU N . 15028 2 795 . 2 2 78 78 VAL H H 1 8.514 0.03 . 1 . . . . 78 VAL HN . 15028 2 796 . 2 2 78 78 VAL HA H 1 4.746 0.03 . 1 . . . . 78 VAL HA . 15028 2 797 . 2 2 78 78 VAL HB H 1 1.663 0.03 . 1 . . . . 78 VAL HB . 15028 2 798 . 2 2 78 78 VAL HG11 H 1 0.874 0.03 . 2 . . . . 78 VAL HG1 . 15028 2 799 . 2 2 78 78 VAL HG12 H 1 0.874 0.03 . 2 . . . . 78 VAL HG1 . 15028 2 800 . 2 2 78 78 VAL HG13 H 1 0.874 0.03 . 2 . . . . 78 VAL HG1 . 15028 2 801 . 2 2 78 78 VAL HG21 H 1 0.710 0.03 . 2 . . . . 78 VAL HG2 . 15028 2 802 . 2 2 78 78 VAL HG22 H 1 0.710 0.03 . 2 . . . . 78 VAL HG2 . 15028 2 803 . 2 2 78 78 VAL HG23 H 1 0.710 0.03 . 2 . . . . 78 VAL HG2 . 15028 2 804 . 2 2 78 78 VAL CA C 13 60.058 0.30 . 1 . . . . 78 VAL CA . 15028 2 805 . 2 2 78 78 VAL CB C 13 33.250 0.30 . 1 . . . . 78 VAL CB . 15028 2 806 . 2 2 78 78 VAL CG1 C 13 23.250 0.30 . 1 . . . . 78 VAL CG1 . 15028 2 807 . 2 2 78 78 VAL CG2 C 13 21.625 0.30 . 1 . . . . 78 VAL CG2 . 15028 2 808 . 2 2 78 78 VAL N N 15 126.062 0.30 . 1 . . . . 78 VAL N . 15028 2 809 . 2 2 79 79 VAL H H 1 8.269 0.03 . 1 . . . . 79 VAL HN . 15028 2 810 . 2 2 79 79 VAL HA H 1 4.451 0.03 . 1 . . . . 79 VAL HA . 15028 2 811 . 2 2 79 79 VAL HB H 1 1.278 0.03 . 1 . . . . 79 VAL HB . 15028 2 812 . 2 2 79 79 VAL HG11 H 1 -0.384 0.03 . 2 . . . . 79 VAL HG1 . 15028 2 813 . 2 2 79 79 VAL HG12 H 1 -0.384 0.03 . 2 . . . . 79 VAL HG1 . 15028 2 814 . 2 2 79 79 VAL HG13 H 1 -0.384 0.03 . 2 . . . . 79 VAL HG1 . 15028 2 815 . 2 2 79 79 VAL HG21 H 1 -0.273 0.03 . 2 . . . . 79 VAL HG2 . 15028 2 816 . 2 2 79 79 VAL HG22 H 1 -0.273 0.03 . 2 . . . . 79 VAL HG2 . 15028 2 817 . 2 2 79 79 VAL HG23 H 1 -0.273 0.03 . 2 . . . . 79 VAL HG2 . 15028 2 818 . 2 2 79 79 VAL CA C 13 59.501 0.30 . 1 . . . . 79 VAL CA . 15028 2 819 . 2 2 79 79 VAL CB C 13 33.875 0.30 . 1 . . . . 79 VAL CB . 15028 2 820 . 2 2 79 79 VAL CG1 C 13 19.124 0.30 . 1 . . . . 79 VAL CG1 . 15028 2 821 . 2 2 79 79 VAL CG2 C 13 19.749 0.30 . 1 . . . . 79 VAL CG2 . 15028 2 822 . 2 2 79 79 VAL N N 15 127.233 0.30 . 1 . . . . 79 VAL N . 15028 2 823 . 2 2 80 80 THR H H 1 8.539 0.03 . 1 . . . . 80 THR HN . 15028 2 824 . 2 2 80 80 THR HA H 1 5.216 0.03 . 1 . . . . 80 THR HA . 15028 2 825 . 2 2 80 80 THR HB H 1 4.282 0.03 . 1 . . . . 80 THR HB . 15028 2 826 . 2 2 80 80 THR HG21 H 1 1.204 0.03 . 1 . . . . 80 THR HG2 . 15028 2 827 . 2 2 80 80 THR HG22 H 1 1.204 0.03 . 1 . . . . 80 THR HG2 . 15028 2 828 . 2 2 80 80 THR HG23 H 1 1.204 0.03 . 1 . . . . 80 THR HG2 . 15028 2 829 . 2 2 80 80 THR CA C 13 61.125 0.30 . 1 . . . . 80 THR CA . 15028 2 830 . 2 2 80 80 THR CB C 13 69.626 0.30 . 1 . . . . 80 THR CB . 15028 2 831 . 2 2 80 80 THR CG2 C 13 22.500 0.30 . 1 . . . . 80 THR CG2 . 15028 2 832 . 2 2 80 80 THR N N 15 118.913 0.30 . 1 . . . . 80 THR N . 15028 2 833 . 2 2 81 81 LEU H H 1 8.555 0.03 . 1 . . . . 81 LEU HN . 15028 2 834 . 2 2 81 81 LEU HA H 1 5.503 0.03 . 1 . . . . 81 LEU HA . 15028 2 835 . 2 2 81 81 LEU HB2 H 1 1.757 0.03 . 2 . . . . 81 LEU HB2 . 15028 2 836 . 2 2 81 81 LEU HD11 H 1 1.354 0.03 . 2 . . . . 81 LEU HD1 . 15028 2 837 . 2 2 81 81 LEU HD12 H 1 1.354 0.03 . 2 . . . . 81 LEU HD1 . 15028 2 838 . 2 2 81 81 LEU HD13 H 1 1.354 0.03 . 2 . . . . 81 LEU HD1 . 15028 2 839 . 2 2 81 81 LEU HD21 H 1 0.796 0.03 . 2 . . . . 81 LEU HD2 . 15028 2 840 . 2 2 81 81 LEU HD22 H 1 0.796 0.03 . 2 . . . . 81 LEU HD2 . 15028 2 841 . 2 2 81 81 LEU HD23 H 1 0.796 0.03 . 2 . . . . 81 LEU HD2 . 15028 2 842 . 2 2 81 81 LEU CA C 13 55.000 0.30 . 1 . . . . 81 LEU CA . 15028 2 843 . 2 2 81 81 LEU CB C 13 45.497 0.30 . 1 . . . . 81 LEU CB . 15028 2 844 . 2 2 81 81 LEU CD1 C 13 24.749 0.30 . 1 . . . . 81 LEU CD1 . 15028 2 845 . 2 2 81 81 LEU CD2 C 13 28.378 0.30 . 1 . . . . 81 LEU CD2 . 15028 2 846 . 2 2 82 82 SER H H 1 7.904 0.03 . 1 . . . . 82 SER HN . 15028 2 847 . 2 2 82 82 SER HA H 1 4.760 0.03 . 1 . . . . 82 SER HA . 15028 2 848 . 2 2 82 82 SER HB2 H 1 4.319 0.03 . 2 . . . . 82 SER HB2 . 15028 2 849 . 2 2 82 82 SER CA C 13 58.104 0.30 . 1 . . . . 82 SER CA . 15028 2 850 . 2 2 82 82 SER CB C 13 63.786 0.30 . 1 . . . . 82 SER CB . 15028 2 851 . 2 2 82 82 SER N N 15 109.186 0.30 . 1 . . . . 82 SER N . 15028 2 852 . 2 2 83 83 GLY H H 1 8.349 0.03 . 1 . . . . 83 GLY HN . 15028 2 853 . 2 2 83 83 GLY HA2 H 1 4.203 0.03 . 1 . . . . 83 GLY HA1 . 15028 2 854 . 2 2 83 83 GLY HA3 H 1 4.203 0.03 . 1 . . . . 83 GLY HA2 . 15028 2 855 . 2 2 83 83 GLY CA C 13 46.000 0.30 . 1 . . . . 83 GLY CA . 15028 2 856 . 2 2 83 83 GLY N N 15 110.007 0.30 . 1 . . . . 83 GLY N . 15028 2 857 . 2 2 84 84 ASP H H 1 7.725 0.03 . 1 . . . . 84 ASP HN . 15028 2 858 . 2 2 84 84 ASP HA H 1 4.253 0.03 . 1 . . . . 84 ASP HA . 15028 2 859 . 2 2 84 84 ASP HB2 H 1 3.007 0.03 . 1 . . . . 84 ASP HB1 . 15028 2 860 . 2 2 84 84 ASP HB3 H 1 3.007 0.03 . 1 . . . . 84 ASP HB2 . 15028 2 861 . 2 2 84 84 ASP CA C 13 50.824 0.30 . 1 . . . . 84 ASP CA . 15028 2 862 . 2 2 84 84 ASP CB C 13 42.375 0.30 . 1 . . . . 84 ASP CB . 15028 2 863 . 2 2 85 85 ALA H H 1 8.249 0.03 . 1 . . . . 85 ALA HN . 15028 2 864 . 2 2 85 85 ALA HA H 1 4.401 0.03 . 1 . . . . 85 ALA HA . 15028 2 865 . 2 2 85 85 ALA HB1 H 1 1.455 0.03 . 1 . . . . 85 ALA HB . 15028 2 866 . 2 2 85 85 ALA HB2 H 1 1.455 0.03 . 1 . . . . 85 ALA HB . 15028 2 867 . 2 2 85 85 ALA HB3 H 1 1.455 0.03 . 1 . . . . 85 ALA HB . 15028 2 868 . 2 2 85 85 ALA CA C 13 52.500 0.30 . 1 . . . . 85 ALA CA . 15028 2 869 . 2 2 85 85 ALA CB C 13 18.749 0.30 . 1 . . . . 85 ALA CB . 15028 2 870 . 2 2 85 85 ALA N N 15 123.132 0.30 . 1 . . . . 85 ALA N . 15028 2 871 . 2 2 86 86 ALA HA H 1 4.575 0.03 . 1 . . . . 86 ALA HA . 15028 2 872 . 2 2 86 86 ALA HB1 H 1 1.715 0.03 . 1 . . . . 86 ALA HB . 15028 2 873 . 2 2 86 86 ALA HB2 H 1 1.715 0.03 . 1 . . . . 86 ALA HB . 15028 2 874 . 2 2 86 86 ALA HB3 H 1 1.715 0.03 . 1 . . . . 86 ALA HB . 15028 2 875 . 2 2 86 86 ALA CA C 13 52.000 0.30 . 1 . . . . 86 ALA CA . 15028 2 876 . 2 2 86 86 ALA CB C 13 21.249 0.30 . 1 . . . . 86 ALA CB . 15028 2 877 . 2 2 87 87 ASP H H 1 8.464 0.03 . 1 . . . . 87 ASP HN . 15028 2 878 . 2 2 87 87 ASP HA H 1 4.730 0.03 . 1 . . . . 87 ASP HA . 15028 2 879 . 2 2 87 87 ASP HB2 H 1 2.804 0.03 . 2 . . . . 87 ASP HB1 . 15028 2 880 . 2 2 87 87 ASP HB3 H 1 3.143 0.03 . 2 . . . . 87 ASP HB2 . 15028 2 881 . 2 2 87 87 ASP CA C 13 54.032 0.30 . 1 . . . . 87 ASP CA . 15028 2 882 . 2 2 87 87 ASP CB C 13 41.260 0.30 . 1 . . . . 87 ASP CB . 15028 2 883 . 2 2 87 87 ASP N N 15 115.515 0.30 . 1 . . . . 87 ASP N . 15028 2 884 . 2 2 88 88 LYS H H 1 7.568 0.03 . 1 . . . . 88 LYS HN . 15028 2 885 . 2 2 88 88 LYS HA H 1 5.073 0.03 . 1 . . . . 88 LYS HA . 15028 2 886 . 2 2 88 88 LYS HB2 H 1 1.500 0.03 . 1 . . . . 88 LYS HB1 . 15028 2 887 . 2 2 88 88 LYS HB3 H 1 1.500 0.03 . 1 . . . . 88 LYS HB2 . 15028 2 888 . 2 2 88 88 LYS HG2 H 1 1.501 0.03 . 1 . . . . 88 LYS HG1 . 15028 2 889 . 2 2 88 88 LYS HG3 H 1 1.501 0.03 . 1 . . . . 88 LYS HG2 . 15028 2 890 . 2 2 88 88 LYS HD2 H 1 1.474 0.03 . 2 . . . . 88 LYS HD1 . 15028 2 891 . 2 2 88 88 LYS HD3 H 1 1.723 0.03 . 2 . . . . 88 LYS HD2 . 15028 2 892 . 2 2 88 88 LYS HE2 H 1 2.781 0.03 . 2 . . . . 88 LYS HE1 . 15028 2 893 . 2 2 88 88 LYS HE3 H 1 2.884 0.03 . 2 . . . . 88 LYS HE2 . 15028 2 894 . 2 2 88 88 LYS CA C 13 55.000 0.30 . 1 . . . . 88 LYS CA . 15028 2 895 . 2 2 88 88 LYS CB C 13 34.636 0.30 . 1 . . . . 88 LYS CB . 15028 2 896 . 2 2 88 88 LYS CG C 13 22.214 0.30 . 1 . . . . 88 LYS CG . 15028 2 897 . 2 2 88 88 LYS CD C 13 29.875 0.30 . 1 . . . . 88 LYS CD . 15028 2 898 . 2 2 88 88 LYS CE C 13 41.500 0.30 . 1 . . . . 88 LYS CE . 15028 2 899 . 2 2 88 88 LYS N N 15 113.522 0.30 . 1 . . . . 88 LYS N . 15028 2 900 . 2 2 89 89 CYS H H 1 9.556 0.03 . 1 . . . . 89 CYS HN . 15028 2 901 . 2 2 89 89 CYS HB2 H 1 2.709 0.03 . 1 . . . . 89 CYS HB1 . 15028 2 902 . 2 2 89 89 CYS HB3 H 1 2.709 0.03 . 1 . . . . 89 CYS HB2 . 15028 2 903 . 2 2 89 89 CYS CA C 13 58.637 0.30 . 1 . . . . 89 CYS CA . 15028 2 904 . 2 2 89 89 CYS N N 15 115.397 0.30 . 1 . . . . 89 CYS N . 15028 2 905 . 2 2 90 90 PRO HA H 1 4.435 0.03 . 1 . . . . 90 PRO HA . 15028 2 906 . 2 2 90 90 PRO HB2 H 1 1.753 0.03 . 2 . . . . 90 PRO HB1 . 15028 2 907 . 2 2 90 90 PRO HB3 H 1 2.068 0.03 . 2 . . . . 90 PRO HB2 . 15028 2 908 . 2 2 90 90 PRO HG2 H 1 1.755 0.03 . 2 . . . . 90 PRO HG1 . 15028 2 909 . 2 2 90 90 PRO HG3 H 1 1.979 0.03 . 2 . . . . 90 PRO HG2 . 15028 2 910 . 2 2 90 90 PRO HD2 H 1 3.734 0.03 . 2 . . . . 90 PRO HD1 . 15028 2 911 . 2 2 90 90 PRO HD3 H 1 3.852 0.03 . 2 . . . . 90 PRO HD2 . 15028 2 912 . 2 2 90 90 PRO CA C 13 62.751 0.30 . 1 . . . . 90 PRO CA . 15028 2 913 . 2 2 90 90 PRO CB C 13 31.875 0.30 . 1 . . . . 90 PRO CB . 15028 2 914 . 2 2 90 90 PRO CG C 13 27.000 0.30 . 1 . . . . 90 PRO CG . 15028 2 915 . 2 2 91 91 MET H H 1 7.976 0.03 . 1 . . . . 91 MET HN . 15028 2 916 . 2 2 91 91 MET HA H 1 4.333 0.03 . 1 . . . . 91 MET HA . 15028 2 917 . 2 2 91 91 MET HB2 H 1 1.553 0.03 . 2 . . . . 91 MET HB2 . 15028 2 918 . 2 2 91 91 MET HG2 H 1 2.321 0.03 . 2 . . . . 91 MET HG2 . 15028 2 919 . 2 2 91 91 MET HE1 H 1 1.969 0.03 . 1 . . . . 91 MET HE . 15028 2 920 . 2 2 91 91 MET HE2 H 1 1.969 0.03 . 1 . . . . 91 MET HE . 15028 2 921 . 2 2 91 91 MET HE3 H 1 1.969 0.03 . 1 . . . . 91 MET HE . 15028 2 922 . 2 2 91 91 MET CA C 13 56.125 0.30 . 1 . . . . 91 MET CA . 15028 2 923 . 2 2 91 91 MET CB C 13 33.624 0.30 . 1 . . . . 91 MET CB . 15028 2 924 . 2 2 91 91 MET CG C 13 32.250 0.30 . 1 . . . . 91 MET CG . 15028 2 925 . 2 2 91 91 MET CE C 13 16.874 0.30 . 1 . . . . 91 MET CE . 15028 2 926 . 2 2 91 91 MET N N 15 121.726 0.30 . 1 . . . . 91 MET N . 15028 2 927 . 2 2 92 92 THR H H 1 7.413 0.03 . 1 . . . . 92 THR HN . 15028 2 928 . 2 2 92 92 THR HA H 1 4.644 0.03 . 1 . . . . 92 THR HA . 15028 2 929 . 2 2 92 92 THR HB H 1 3.742 0.03 . 1 . . . . 92 THR HB . 15028 2 930 . 2 2 92 92 THR HG21 H 1 0.855 0.03 . 1 . . . . 92 THR HG2 . 15028 2 931 . 2 2 92 92 THR HG22 H 1 0.855 0.03 . 1 . . . . 92 THR HG2 . 15028 2 932 . 2 2 92 92 THR HG23 H 1 0.855 0.03 . 1 . . . . 92 THR HG2 . 15028 2 933 . 2 2 92 92 THR CA C 13 58.250 0.30 . 1 . . . . 92 THR CA . 15028 2 934 . 2 2 92 92 THR CB C 13 69.251 0.30 . 1 . . . . 92 THR CB . 15028 2 935 . 2 2 92 92 THR CG2 C 13 22.500 0.30 . 1 . . . . 92 THR CG2 . 15028 2 936 . 2 2 92 92 THR N N 15 112.468 0.30 . 1 . . . . 92 THR N . 15028 2 937 . 2 2 93 93 PRO HA H 1 5.182 0.03 . 1 . . . . 93 PRO HA . 15028 2 938 . 2 2 93 93 PRO HB2 H 1 1.875 0.03 . 2 . . . . 93 PRO HB1 . 15028 2 939 . 2 2 93 93 PRO HB3 H 1 2.452 0.03 . 2 . . . . 93 PRO HB2 . 15028 2 940 . 2 2 93 93 PRO HG2 H 1 1.845 0.03 . 2 . . . . 93 PRO HG1 . 15028 2 941 . 2 2 93 93 PRO HG3 H 1 2.030 0.03 . 2 . . . . 93 PRO HG2 . 15028 2 942 . 2 2 93 93 PRO HD2 H 1 3.225 0.03 . 2 . . . . 93 PRO HD1 . 15028 2 943 . 2 2 93 93 PRO HD3 H 1 3.611 0.03 . 2 . . . . 93 PRO HD2 . 15028 2 944 . 2 2 93 93 PRO CB C 13 31.500 0.30 . 1 . . . . 93 PRO CB . 15028 2 945 . 2 2 93 93 PRO CG C 13 27.375 0.30 . 1 . . . . 93 PRO CG . 15028 2 946 . 2 2 93 93 PRO CD C 13 50.634 0.30 . 1 . . . . 93 PRO CD . 15028 2 947 . 2 2 94 94 PRO HA H 1 4.247 0.03 . 1 . . . . 94 PRO HA . 15028 2 948 . 2 2 94 94 PRO HB2 H 1 2.047 0.03 . 2 . . . . 94 PRO HB1 . 15028 2 949 . 2 2 94 94 PRO HB3 H 1 2.256 0.03 . 2 . . . . 94 PRO HB2 . 15028 2 950 . 2 2 94 94 PRO HG2 H 1 2.112 0.03 . 2 . . . . 94 PRO HG1 . 15028 2 951 . 2 2 94 94 PRO HG3 H 1 2.229 0.03 . 2 . . . . 94 PRO HG2 . 15028 2 952 . 2 2 94 94 PRO HD2 H 1 3.863 0.03 . 2 . . . . 94 PRO HD2 . 15028 2 953 . 2 2 94 94 PRO CA C 13 65.000 0.30 . 1 . . . . 94 PRO CA . 15028 2 954 . 2 2 94 94 PRO CB C 13 32.000 0.30 . 1 . . . . 94 PRO CB . 15028 2 955 . 2 2 94 94 PRO CG C 13 27.500 0.30 . 1 . . . . 94 PRO CG . 15028 2 956 . 2 2 94 94 PRO CD C 13 50.625 0.30 . 1 . . . . 94 PRO CD . 15028 2 957 . 2 2 95 95 HIS H H 1 7.685 0.03 . 1 . . . . 95 HIS HN . 15028 2 958 . 2 2 95 95 HIS HA H 1 4.633 0.03 . 1 . . . . 95 HIS HA . 15028 2 959 . 2 2 95 95 HIS HB2 H 1 2.890 0.03 . 2 . . . . 95 HIS HB1 . 15028 2 960 . 2 2 95 95 HIS HB3 H 1 3.351 0.03 . 2 . . . . 95 HIS HB2 . 15028 2 961 . 2 2 95 95 HIS CA C 13 56.875 0.30 . 1 . . . . 95 HIS CA . 15028 2 962 . 2 2 95 95 HIS CB C 13 30.250 0.30 . 1 . . . . 95 HIS CB . 15028 2 963 . 2 2 95 95 HIS N N 15 112.819 0.30 . 1 . . . . 95 HIS N . 15028 2 964 . 2 2 96 96 VAL H H 1 6.826 0.03 . 1 . . . . 96 VAL HN . 15028 2 965 . 2 2 96 96 VAL HA H 1 4.121 0.03 . 1 . . . . 96 VAL HA . 15028 2 966 . 2 2 96 96 VAL HB H 1 1.663 0.03 . 1 . . . . 96 VAL HB . 15028 2 967 . 2 2 96 96 VAL HG11 H 1 0.466 0.03 . 2 . . . . 96 VAL HG1 . 15028 2 968 . 2 2 96 96 VAL HG12 H 1 0.466 0.03 . 2 . . . . 96 VAL HG1 . 15028 2 969 . 2 2 96 96 VAL HG13 H 1 0.466 0.03 . 2 . . . . 96 VAL HG1 . 15028 2 970 . 2 2 96 96 VAL HG21 H 1 0.671 0.03 . 2 . . . . 96 VAL HG2 . 15028 2 971 . 2 2 96 96 VAL HG22 H 1 0.671 0.03 . 2 . . . . 96 VAL HG2 . 15028 2 972 . 2 2 96 96 VAL HG23 H 1 0.671 0.03 . 2 . . . . 96 VAL HG2 . 15028 2 973 . 2 2 96 96 VAL CA C 13 60.625 0.30 . 1 . . . . 96 VAL CA . 15028 2 974 . 2 2 96 96 VAL CB C 13 33.250 0.30 . 1 . . . . 96 VAL CB . 15028 2 975 . 2 2 96 96 VAL CG1 C 13 19.999 0.30 . 1 . . . . 96 VAL CG1 . 15028 2 976 . 2 2 96 96 VAL CG2 C 13 21.249 0.30 . 1 . . . . 96 VAL CG2 . 15028 2 977 . 2 2 96 96 VAL N N 15 120.788 0.30 . 1 . . . . 96 VAL N . 15028 2 978 . 2 2 97 97 LYS H H 1 8.185 0.03 . 1 . . . . 97 LYS HN . 15028 2 979 . 2 2 97 97 LYS HA H 1 4.051 0.03 . 1 . . . . 97 LYS HA . 15028 2 980 . 2 2 97 97 LYS HB2 H 1 1.951 0.03 . 2 . . . . 97 LYS HB2 . 15028 2 981 . 2 2 97 97 LYS HG2 H 1 1.392 0.03 . 2 . . . . 97 LYS HG1 . 15028 2 982 . 2 2 97 97 LYS HG3 H 1 1.548 0.03 . 2 . . . . 97 LYS HG2 . 15028 2 983 . 2 2 97 97 LYS HD2 H 1 1.811 0.03 . 2 . . . . 97 LYS HD2 . 15028 2 984 . 2 2 97 97 LYS HE2 H 1 3.033 0.03 . 2 . . . . 97 LYS HE2 . 15028 2 985 . 2 2 97 97 LYS CA C 13 57.625 0.30 . 1 . . . . 97 LYS CA . 15028 2 986 . 2 2 97 97 LYS CB C 13 32.125 0.30 . 1 . . . . 97 LYS CB . 15028 2 987 . 2 2 97 97 LYS CG C 13 25.250 0.30 . 1 . . . . 97 LYS CG . 15028 2 988 . 2 2 97 97 LYS CD C 13 29.375 0.30 . 1 . . . . 97 LYS CD . 15028 2 989 . 2 2 97 97 LYS CE C 13 42.375 0.30 . 1 . . . . 97 LYS CE . 15028 2 990 . 2 2 97 97 LYS N N 15 127.819 0.30 . 1 . . . . 97 LYS N . 15028 2 991 . 2 2 98 98 ARG H H 1 8.111 0.03 . 1 . . . . 98 ARG HN . 15028 2 992 . 2 2 98 98 ARG HA H 1 5.346 0.03 . 1 . . . . 98 ARG HA . 15028 2 993 . 2 2 98 98 ARG HB2 H 1 1.182 0.03 . 2 . . . . 98 ARG HB1 . 15028 2 994 . 2 2 98 98 ARG HB3 H 1 1.247 0.03 . 2 . . . . 98 ARG HB2 . 15028 2 995 . 2 2 98 98 ARG HG2 H 1 1.219 0.03 . 2 . . . . 98 ARG HG1 . 15028 2 996 . 2 2 98 98 ARG HG3 H 1 1.034 0.03 . 2 . . . . 98 ARG HG2 . 15028 2 997 . 2 2 98 98 ARG HD2 H 1 2.563 0.03 . 2 . . . . 98 ARG HD1 . 15028 2 998 . 2 2 98 98 ARG HD3 H 1 2.624 0.03 . 2 . . . . 98 ARG HD2 . 15028 2 999 . 2 2 98 98 ARG CA C 13 53.625 0.30 . 1 . . . . 98 ARG CA . 15028 2 1000 . 2 2 98 98 ARG CB C 13 33.125 0.30 . 1 . . . . 98 ARG CB . 15028 2 1001 . 2 2 98 98 ARG CG C 13 25.875 0.30 . 1 . . . . 98 ARG CG . 15028 2 1002 . 2 2 98 98 ARG CD C 13 42.875 0.30 . 1 . . . . 98 ARG CD . 15028 2 1003 . 2 2 98 98 ARG N N 15 122.780 0.30 . 1 . . . . 98 ARG N . 15028 2 1004 . 2 2 99 99 GLU H H 1 8.323 0.03 . 1 . . . . 99 GLU HN . 15028 2 1005 . 2 2 99 99 GLU HA H 1 4.341 0.03 . 1 . . . . 99 GLU HA . 15028 2 1006 . 2 2 99 99 GLU HB2 H 1 2.041 0.03 . 2 . . . . 99 GLU HB2 . 15028 2 1007 . 2 2 99 99 GLU HG2 H 1 2.320 0.03 . 2 . . . . 99 GLU HG2 . 15028 2 1008 . 2 2 99 99 GLU CA C 13 54.125 0.30 . 1 . . . . 99 GLU CA . 15028 2 1009 . 2 2 99 99 GLU CB C 13 33.778 0.30 . 1 . . . . 99 GLU CB . 15028 2 1010 . 2 2 99 99 GLU N N 15 121.257 0.30 . 1 . . . . 99 GLU N . 15028 2 1011 . 2 2 100 100 HIS H H 1 8.898 0.03 . 1 . . . . 100 HIS HN . 15028 2 1012 . 2 2 100 100 HIS HA H 1 5.157 0.03 . 1 . . . . 100 HIS HA . 15028 2 1013 . 2 2 100 100 HIS HB2 H 1 2.958 0.03 . 2 . . . . 100 HIS HB1 . 15028 2 1014 . 2 2 100 100 HIS HB3 H 1 3.093 0.03 . 2 . . . . 100 HIS HB2 . 15028 2 1015 . 2 2 100 100 HIS CA C 13 54.198 0.30 . 1 . . . . 100 HIS CA . 15028 2 1016 . 2 2 100 100 HIS CB C 13 30.759 0.30 . 1 . . . . 100 HIS CB . 15028 2 1017 . 2 2 100 100 HIS N N 15 121.608 0.30 . 1 . . . . 100 HIS N . 15028 2 1018 . 2 2 101 101 TRP H H 1 8.401 0.03 . 1 . . . . 101 TRP HN . 15028 2 1019 . 2 2 101 101 TRP HA H 1 5.110 0.03 . 1 . . . . 101 TRP HA . 15028 2 1020 . 2 2 101 101 TRP HB2 H 1 3.450 0.03 . 1 . . . . 101 TRP HB1 . 15028 2 1021 . 2 2 101 101 TRP HB3 H 1 3.450 0.03 . 1 . . . . 101 TRP HB2 . 15028 2 1022 . 2 2 101 101 TRP HD1 H 1 7.024 0.03 . 1 . . . . 101 TRP HD1 . 15028 2 1023 . 2 2 101 101 TRP HE1 H 1 10.385 0.03 . 1 . . . . 101 TRP HE1 . 15028 2 1024 . 2 2 101 101 TRP HZ2 H 1 7.024 0.03 . 4 . . . . 101 TRP HZ2 . 15028 2 1025 . 2 2 101 101 TRP CA C 13 52.125 0.30 . 1 . . . . 101 TRP CA . 15028 2 1026 . 2 2 101 101 TRP CB C 13 30.750 0.30 . 1 . . . . 101 TRP CB . 15028 2 1027 . 2 2 101 101 TRP CD1 C 13 123.701 0.30 . 4 . . . . 101 TRP CD1 . 15028 2 1028 . 2 2 101 101 TRP CZ2 C 13 114.324 0.30 . 4 . . . . 101 TRP CZ2 . 15028 2 1029 . 2 2 101 101 TRP N N 15 128.874 0.30 . 1 . . . . 101 TRP N . 15028 2 1030 . 2 2 101 101 TRP NE1 N 15 129.343 0.30 . 1 . . . . 101 TRP NE1 . 15028 2 1031 . 2 2 102 102 GLY H H 1 7.688 0.03 . 1 . . . . 102 GLY HN . 15028 2 1032 . 2 2 102 102 GLY HA2 H 1 3.336 0.03 . 2 . . . . 102 GLY HA1 . 15028 2 1033 . 2 2 102 102 GLY HA3 H 1 3.778 0.03 . 2 . . . . 102 GLY HA2 . 15028 2 1034 . 2 2 102 102 GLY CA C 13 46.500 0.30 . 1 . . . . 102 GLY CA . 15028 2 1035 . 2 2 102 102 GLY N N 15 105.554 0.30 . 1 . . . . 102 GLY N . 15028 2 1036 . 2 2 103 103 PHE H H 1 7.776 0.03 . 1 . . . . 103 PHE HN . 15028 2 1037 . 2 2 103 103 PHE HA H 1 4.878 0.03 . 1 . . . . 103 PHE HA . 15028 2 1038 . 2 2 103 103 PHE HB2 H 1 2.474 0.03 . 2 . . . . 103 PHE HB1 . 15028 2 1039 . 2 2 103 103 PHE HB3 H 1 3.265 0.03 . 2 . . . . 103 PHE HB2 . 15028 2 1040 . 2 2 103 103 PHE CA C 13 56.684 0.30 . 1 . . . . 103 PHE CA . 15028 2 1041 . 2 2 103 103 PHE CB C 13 43.500 0.30 . 1 . . . . 103 PHE CB . 15028 2 1042 . 2 2 103 103 PHE N N 15 121.140 0.30 . 1 . . . . 103 PHE N . 15028 2 1043 . 2 2 104 104 ASP H H 1 9.399 0.03 . 1 . . . . 104 ASP HN . 15028 2 1044 . 2 2 104 104 ASP HA H 1 4.442 0.03 . 1 . . . . 104 ASP HA . 15028 2 1045 . 2 2 104 104 ASP HB2 H 1 2.468 0.03 . 2 . . . . 104 ASP HB1 . 15028 2 1046 . 2 2 104 104 ASP HB3 H 1 2.809 0.03 . 2 . . . . 104 ASP HB2 . 15028 2 1047 . 2 2 104 104 ASP CA C 13 55.000 0.30 . 1 . . . . 104 ASP CA . 15028 2 1048 . 2 2 104 104 ASP CB C 13 42.124 0.30 . 1 . . . . 104 ASP CB . 15028 2 1049 . 2 2 104 104 ASP N N 15 125.007 0.30 . 1 . . . . 104 ASP N . 15028 2 1050 . 2 2 105 105 ASP H H 1 8.687 0.03 . 1 . . . . 105 ASP HN . 15028 2 1051 . 2 2 105 105 ASP HA H 1 4.439 0.03 . 1 . . . . 105 ASP HA . 15028 2 1052 . 2 2 105 105 ASP HB2 H 1 2.674 0.03 . 2 . . . . 105 ASP HB1 . 15028 2 1053 . 2 2 105 105 ASP HB3 H 1 2.916 0.03 . 2 . . . . 105 ASP HB2 . 15028 2 1054 . 2 2 105 105 ASP CA C 13 51.250 0.30 . 1 . . . . 105 ASP CA . 15028 2 1055 . 2 2 105 105 ASP CB C 13 41.768 0.30 . 1 . . . . 105 ASP CB . 15028 2 1056 . 2 2 105 105 ASP N N 15 117.976 0.30 . 1 . . . . 105 ASP N . 15028 2 1057 . 2 2 106 106 PRO HA H 1 4.023 0.03 . 1 . . . . 106 PRO HA . 15028 2 1058 . 2 2 106 106 PRO HB2 H 1 0.428 0.03 . 2 . . . . 106 PRO HB1 . 15028 2 1059 . 2 2 106 106 PRO HB3 H 1 1.262 0.03 . 2 . . . . 106 PRO HB2 . 15028 2 1060 . 2 2 106 106 PRO HG2 H 1 1.253 0.03 . 2 . . . . 106 PRO HG1 . 15028 2 1061 . 2 2 106 106 PRO HG3 H 1 1.369 0.03 . 2 . . . . 106 PRO HG2 . 15028 2 1062 . 2 2 106 106 PRO HD2 H 1 4.011 0.03 . 2 . . . . 106 PRO HD1 . 15028 2 1063 . 2 2 106 106 PRO HD3 H 1 4.512 0.03 . 2 . . . . 106 PRO HD2 . 15028 2 1064 . 2 2 106 106 PRO CA C 13 63.626 0.30 . 1 . . . . 106 PRO CA . 15028 2 1065 . 2 2 106 106 PRO CB C 13 30.250 0.30 . 1 . . . . 106 PRO CB . 15028 2 1066 . 2 2 106 106 PRO CG C 13 27.500 0.30 . 1 . . . . 106 PRO CG . 15028 2 1067 . 2 2 106 106 PRO CD C 13 49.750 0.30 . 1 . . . . 106 PRO CD . 15028 2 1068 . 2 2 107 107 ALA H H 1 8.147 0.03 . 1 . . . . 107 ALA HN . 15028 2 1069 . 2 2 107 107 ALA HA H 1 4.325 0.03 . 1 . . . . 107 ALA HA . 15028 2 1070 . 2 2 107 107 ALA HB1 H 1 1.554 0.03 . 1 . . . . 107 ALA HB . 15028 2 1071 . 2 2 107 107 ALA HB2 H 1 1.554 0.03 . 1 . . . . 107 ALA HB . 15028 2 1072 . 2 2 107 107 ALA HB3 H 1 1.554 0.03 . 1 . . . . 107 ALA HB . 15028 2 1073 . 2 2 107 107 ALA CA C 13 54.125 0.30 . 1 . . . . 107 ALA CA . 15028 2 1074 . 2 2 107 107 ALA CB C 13 18.374 0.30 . 1 . . . . 107 ALA CB . 15028 2 1075 . 2 2 107 107 ALA N N 15 120.905 0.30 . 1 . . . . 107 ALA N . 15028 2 1076 . 2 2 108 108 ARG H H 1 7.111 0.03 . 1 . . . . 108 ARG HN . 15028 2 1077 . 2 2 108 108 ARG HA H 1 4.346 0.03 . 1 . . . . 108 ARG HA . 15028 2 1078 . 2 2 108 108 ARG HB2 H 1 1.663 0.03 . 2 . . . . 108 ARG HB1 . 15028 2 1079 . 2 2 108 108 ARG HB3 H 1 2.096 0.03 . 2 . . . . 108 ARG HB2 . 15028 2 1080 . 2 2 108 108 ARG HG2 H 1 1.535 0.03 . 2 . . . . 108 ARG HG1 . 15028 2 1081 . 2 2 108 108 ARG HG3 H 1 1.621 0.03 . 2 . . . . 108 ARG HG2 . 15028 2 1082 . 2 2 108 108 ARG HD2 H 1 3.217 0.03 . 2 . . . . 108 ARG HD2 . 15028 2 1083 . 2 2 108 108 ARG CA C 13 54.750 0.30 . 1 . . . . 108 ARG CA . 15028 2 1084 . 2 2 108 108 ARG CB C 13 30.375 0.30 . 1 . . . . 108 ARG CB . 15028 2 1085 . 2 2 108 108 ARG CG C 13 27.500 0.30 . 1 . . . . 108 ARG CG . 15028 2 1086 . 2 2 108 108 ARG CD C 13 43.375 0.30 . 1 . . . . 108 ARG CD . 15028 2 1087 . 2 2 108 108 ARG N N 15 115.397 0.30 . 1 . . . . 108 ARG N . 15028 2 1088 . 2 2 109 109 ALA H H 1 6.648 0.03 . 1 . . . . 109 ALA HN . 15028 2 1089 . 2 2 109 109 ALA HA H 1 3.655 0.03 . 1 . . . . 109 ALA HA . 15028 2 1090 . 2 2 109 109 ALA HB1 H 1 0.786 0.03 . 1 . . . . 109 ALA HB . 15028 2 1091 . 2 2 109 109 ALA HB2 H 1 0.786 0.03 . 1 . . . . 109 ALA HB . 15028 2 1092 . 2 2 109 109 ALA HB3 H 1 0.786 0.03 . 1 . . . . 109 ALA HB . 15028 2 1093 . 2 2 109 109 ALA CA C 13 53.000 0.30 . 1 . . . . 109 ALA CA . 15028 2 1094 . 2 2 109 109 ALA CB C 13 18.749 0.30 . 1 . . . . 109 ALA CB . 15028 2 1095 . 2 2 109 109 ALA N N 15 122.780 0.30 . 1 . . . . 109 ALA N . 15028 2 1096 . 2 2 110 110 GLN H H 1 8.303 0.03 . 1 . . . . 110 GLN HN . 15028 2 1097 . 2 2 110 110 GLN HA H 1 4.556 0.03 . 1 . . . . 110 GLN HA . 15028 2 1098 . 2 2 110 110 GLN HB2 H 1 1.875 0.03 . 2 . . . . 110 GLN HB1 . 15028 2 1099 . 2 2 110 110 GLN HB3 H 1 2.155 0.03 . 2 . . . . 110 GLN HB2 . 15028 2 1100 . 2 2 110 110 GLN HG2 H 1 2.342 0.03 . 2 . . . . 110 GLN HG1 . 15028 2 1101 . 2 2 110 110 GLN HG3 H 1 2.393 0.03 . 2 . . . . 110 GLN HG2 . 15028 2 1102 . 2 2 110 110 GLN HE21 H 1 7.386 0.03 . 2 . . . . 110 GLN HE21 . 15028 2 1103 . 2 2 110 110 GLN HE22 H 1 6.838 0.03 . 2 . . . . 110 GLN HE22 . 15028 2 1104 . 2 2 110 110 GLN CA C 13 54.125 0.30 . 1 . . . . 110 GLN CA . 15028 2 1105 . 2 2 110 110 GLN CB C 13 31.500 0.30 . 1 . . . . 110 GLN CB . 15028 2 1106 . 2 2 110 110 GLN CG C 13 33.750 0.30 . 1 . . . . 110 GLN CG . 15028 2 1107 . 2 2 110 110 GLN N N 15 120.436 0.30 . 1 . . . . 110 GLN N . 15028 2 1108 . 2 2 110 110 GLN NE2 N 15 112.936 0.30 . 1 . . . . 110 GLN NE2 . 15028 2 1109 . 2 2 111 111 GLY H H 1 8.244 0.03 . 1 . . . . 111 GLY HN . 15028 2 1110 . 2 2 111 111 GLY HA2 H 1 3.827 0.03 . 2 . . . . 111 GLY HA1 . 15028 2 1111 . 2 2 111 111 GLY HA3 H 1 4.770 0.03 . 2 . . . . 111 GLY HA2 . 15028 2 1112 . 2 2 111 111 GLY CA C 13 44.250 0.30 . 1 . . . . 111 GLY CA . 15028 2 1113 . 2 2 111 111 GLY N N 15 107.663 0.30 . 1 . . . . 111 GLY N . 15028 2 1114 . 2 2 112 112 THR H H 1 8.880 0.03 . 1 . . . . 112 THR HN . 15028 2 1115 . 2 2 112 112 THR HA H 1 4.432 0.03 . 1 . . . . 112 THR HA . 15028 2 1116 . 2 2 112 112 THR HB H 1 4.856 0.03 . 1 . . . . 112 THR HB . 15028 2 1117 . 2 2 112 112 THR HG21 H 1 1.407 0.03 . 1 . . . . 112 THR HG2 . 15028 2 1118 . 2 2 112 112 THR HG22 H 1 1.407 0.03 . 1 . . . . 112 THR HG2 . 15028 2 1119 . 2 2 112 112 THR HG23 H 1 1.407 0.03 . 1 . . . . 112 THR HG2 . 15028 2 1120 . 2 2 112 112 THR CA C 13 61.501 0.30 . 1 . . . . 112 THR CA . 15028 2 1121 . 2 2 112 112 THR CB C 13 71.251 0.30 . 1 . . . . 112 THR CB . 15028 2 1122 . 2 2 112 112 THR CG2 C 13 22.000 0.30 . 1 . . . . 112 THR CG2 . 15028 2 1123 . 2 2 112 112 THR N N 15 111.647 0.30 . 1 . . . . 112 THR N . 15028 2 1124 . 2 2 113 113 GLU H H 1 9.107 0.03 . 1 . . . . 113 GLU HN . 15028 2 1125 . 2 2 113 113 GLU HA H 1 4.001 0.03 . 1 . . . . 113 GLU HA . 15028 2 1126 . 2 2 113 113 GLU HB2 H 1 2.086 0.03 . 2 . . . . 113 GLU HB2 . 15028 2 1127 . 2 2 113 113 GLU HG2 H 1 2.402 0.03 . 2 . . . . 113 GLU HG2 . 15028 2 1128 . 2 2 113 113 GLU CA C 13 60.500 0.30 . 1 . . . . 113 GLU CA . 15028 2 1129 . 2 2 113 113 GLU CB C 13 28.875 0.30 . 1 . . . . 113 GLU CB . 15028 2 1130 . 2 2 113 113 GLU CG C 13 36.625 0.30 . 1 . . . . 113 GLU CG . 15028 2 1131 . 2 2 113 113 GLU N N 15 120.085 0.30 . 1 . . . . 113 GLU N . 15028 2 1132 . 2 2 114 114 GLU H H 1 8.877 0.03 . 1 . . . . 114 GLU HN . 15028 2 1133 . 2 2 114 114 GLU HA H 1 4.255 0.03 . 1 . . . . 114 GLU HA . 15028 2 1134 . 2 2 114 114 GLU HB2 H 1 2.065 0.03 . 2 . . . . 114 GLU HB1 . 15028 2 1135 . 2 2 114 114 GLU HB3 H 1 2.141 0.03 . 2 . . . . 114 GLU HB2 . 15028 2 1136 . 2 2 114 114 GLU HG2 H 1 2.507 0.03 . 2 . . . . 114 GLU HG1 . 15028 2 1137 . 2 2 114 114 GLU HG3 H 1 2.387 0.03 . 2 . . . . 114 GLU HG2 . 15028 2 1138 . 2 2 114 114 GLU CA C 13 60.626 0.30 . 1 . . . . 114 GLU CA . 15028 2 1139 . 2 2 114 114 GLU CB C 13 29.125 0.30 . 1 . . . . 114 GLU CB . 15028 2 1140 . 2 2 114 114 GLU CG C 13 37.250 0.30 . 1 . . . . 114 GLU CG . 15028 2 1141 . 2 2 114 114 GLU N N 15 119.030 0.30 . 1 . . . . 114 GLU N . 15028 2 1142 . 2 2 115 115 GLU H H 1 7.892 0.03 . 1 . . . . 115 GLU HN . 15028 2 1143 . 2 2 115 115 GLU HA H 1 4.143 0.03 . 1 . . . . 115 GLU HA . 15028 2 1144 . 2 2 115 115 GLU HB2 H 1 2.115 0.03 . 2 . . . . 115 GLU HB1 . 15028 2 1145 . 2 2 115 115 GLU HB3 H 1 2.456 0.03 . 2 . . . . 115 GLU HB2 . 15028 2 1146 . 2 2 115 115 GLU HG2 H 1 2.455 0.03 . 2 . . . . 115 GLU HG2 . 15028 2 1147 . 2 2 115 115 GLU CA C 13 59.500 0.30 . 1 . . . . 115 GLU CA . 15028 2 1148 . 2 2 115 115 GLU CB C 13 29.875 0.30 . 1 . . . . 115 GLU CB . 15028 2 1149 . 2 2 115 115 GLU CG C 13 37.500 0.30 . 1 . . . . 115 GLU CG . 15028 2 1150 . 2 2 115 115 GLU N N 15 122.780 0.30 . 1 . . . . 115 GLU N . 15028 2 1151 . 2 2 116 116 LYS H H 1 8.796 0.03 . 1 . . . . 116 LYS HN . 15028 2 1152 . 2 2 116 116 LYS HA H 1 3.929 0.03 . 1 . . . . 116 LYS HA . 15028 2 1153 . 2 2 116 116 LYS HB2 H 1 1.954 0.03 . 1 . . . . 116 LYS HB1 . 15028 2 1154 . 2 2 116 116 LYS HB3 H 1 1.954 0.03 . 1 . . . . 116 LYS HB2 . 15028 2 1155 . 2 2 116 116 LYS HG2 H 1 0.977 0.03 . 2 . . . . 116 LYS HG1 . 15028 2 1156 . 2 2 116 116 LYS HG3 H 1 1.431 0.03 . 2 . . . . 116 LYS HG2 . 15028 2 1157 . 2 2 116 116 LYS HD2 H 1 1.345 0.03 . 2 . . . . 116 LYS HD1 . 15028 2 1158 . 2 2 116 116 LYS HD3 H 1 1.093 0.03 . 2 . . . . 116 LYS HD2 . 15028 2 1159 . 2 2 116 116 LYS HE2 H 1 2.283 0.03 . 2 . . . . 116 LYS HE1 . 15028 2 1160 . 2 2 116 116 LYS HE3 H 1 2.241 0.03 . 2 . . . . 116 LYS HE2 . 15028 2 1161 . 2 2 116 116 LYS CA C 13 60.626 0.30 . 1 . . . . 116 LYS CA . 15028 2 1162 . 2 2 116 116 LYS CB C 13 32.125 0.30 . 1 . . . . 116 LYS CB . 15028 2 1163 . 2 2 116 116 LYS CG C 13 25.750 0.30 . 1 . . . . 116 LYS CG . 15028 2 1164 . 2 2 116 116 LYS CD C 13 29.790 0.30 . 1 . . . . 116 LYS CD . 15028 2 1165 . 2 2 116 116 LYS CE C 13 41.626 0.30 . 1 . . . . 116 LYS CE . 15028 2 1166 . 2 2 116 116 LYS N N 15 121.608 0.30 . 1 . . . . 116 LYS N . 15028 2 1167 . 2 2 117 117 TRP H H 1 8.323 0.03 . 1 . . . . 117 TRP HN . 15028 2 1168 . 2 2 117 117 TRP HA H 1 4.979 0.03 . 1 . . . . 117 TRP HA . 15028 2 1169 . 2 2 117 117 TRP HB2 H 1 3.354 0.03 . 2 . . . . 117 TRP HB1 . 15028 2 1170 . 2 2 117 117 TRP HB3 H 1 3.509 0.03 . 2 . . . . 117 TRP HB2 . 15028 2 1171 . 2 2 117 117 TRP HD1 H 1 7.258 0.03 . 1 . . . . 117 TRP HD1 . 15028 2 1172 . 2 2 117 117 TRP HE1 H 1 10.138 0.03 . 1 . . . . 117 TRP HE1 . 15028 2 1173 . 2 2 117 117 TRP HZ2 H 1 7.474 0.03 . 4 . . . . 117 TRP HZ2 . 15028 2 1174 . 2 2 117 117 TRP CA C 13 59.126 0.30 . 1 . . . . 117 TRP CA . 15028 2 1175 . 2 2 117 117 TRP CB C 13 30.125 0.30 . 1 . . . . 117 TRP CB . 15028 2 1176 . 2 2 117 117 TRP CD1 C 13 127.916 0.30 . 4 . . . . 117 TRP CD1 . 15028 2 1177 . 2 2 117 117 TRP CZ2 C 13 114.795 0.30 . 4 . . . . 117 TRP CZ2 . 15028 2 1178 . 2 2 117 117 TRP N N 15 121.257 0.30 . 1 . . . . 117 TRP N . 15028 2 1179 . 2 2 117 117 TRP NE1 N 15 129.694 0.30 . 1 . . . . 117 TRP NE1 . 15028 2 1180 . 2 2 118 118 ALA H H 1 8.008 0.03 . 1 . . . . 118 ALA HN . 15028 2 1181 . 2 2 118 118 ALA HA H 1 4.346 0.03 . 1 . . . . 118 ALA HA . 15028 2 1182 . 2 2 118 118 ALA HB1 H 1 1.556 0.03 . 1 . . . . 118 ALA HB . 15028 2 1183 . 2 2 118 118 ALA HB2 H 1 1.556 0.03 . 1 . . . . 118 ALA HB . 15028 2 1184 . 2 2 118 118 ALA HB3 H 1 1.556 0.03 . 1 . . . . 118 ALA HB . 15028 2 1185 . 2 2 118 118 ALA CA C 13 54.500 0.30 . 1 . . . . 118 ALA CA . 15028 2 1186 . 2 2 118 118 ALA CB C 13 17.749 0.30 . 1 . . . . 118 ALA CB . 15028 2 1187 . 2 2 118 118 ALA N N 15 120.202 0.30 . 1 . . . . 118 ALA N . 15028 2 1188 . 2 2 119 119 PHE H H 1 7.953 0.03 . 1 . . . . 119 PHE HN . 15028 2 1189 . 2 2 119 119 PHE HA H 1 4.228 0.03 . 1 . . . . 119 PHE HA . 15028 2 1190 . 2 2 119 119 PHE HB2 H 1 3.182 0.03 . 2 . . . . 119 PHE HB1 . 15028 2 1191 . 2 2 119 119 PHE HB3 H 1 3.492 0.03 . 2 . . . . 119 PHE HB2 . 15028 2 1192 . 2 2 119 119 PHE HD1 H 1 7.121 0.03 . 3 . . . . 119 PHE HD1 . 15028 2 1193 . 2 2 119 119 PHE CA C 13 60.501 0.30 . 1 . . . . 119 PHE CA . 15028 2 1194 . 2 2 119 119 PHE CB C 13 39.625 0.30 . 1 . . . . 119 PHE CB . 15028 2 1195 . 2 2 119 119 PHE CD1 C 13 131.669 0.30 . 3 . . . . 119 PHE CD1 . 15028 2 1196 . 2 2 119 119 PHE N N 15 121.491 0.30 . 1 . . . . 119 PHE N . 15028 2 1197 . 2 2 120 120 PHE H H 1 8.128 0.03 . 1 . . . . 120 PHE HN . 15028 2 1198 . 2 2 120 120 PHE HA H 1 3.636 0.03 . 1 . . . . 120 PHE HA . 15028 2 1199 . 2 2 120 120 PHE HB2 H 1 2.546 0.03 . 2 . . . . 120 PHE HB1 . 15028 2 1200 . 2 2 120 120 PHE HB3 H 1 3.285 0.03 . 2 . . . . 120 PHE HB2 . 15028 2 1201 . 2 2 120 120 PHE HD1 H 1 7.270 0.03 . 3 . . . . 120 PHE HD1 . 15028 2 1202 . 2 2 120 120 PHE CA C 13 64.001 0.30 . 1 . . . . 120 PHE CA . 15028 2 1203 . 2 2 120 120 PHE CB C 13 40.125 0.30 . 1 . . . . 120 PHE CB . 15028 2 1204 . 2 2 120 120 PHE N N 15 119.382 0.30 . 1 . . . . 120 PHE N . 15028 2 1205 . 2 2 121 121 GLN H H 1 7.942 0.03 . 1 . . . . 121 GLN HN . 15028 2 1206 . 2 2 121 121 GLN HA H 1 3.247 0.03 . 1 . . . . 121 GLN HA . 15028 2 1207 . 2 2 121 121 GLN HB2 H 1 1.766 0.03 . 2 . . . . 121 GLN HB1 . 15028 2 1208 . 2 2 121 121 GLN HB3 H 1 2.055 0.03 . 2 . . . . 121 GLN HB2 . 15028 2 1209 . 2 2 121 121 GLN HG2 H 1 1.139 0.03 . 2 . . . . 121 GLN HG1 . 15028 2 1210 . 2 2 121 121 GLN HG3 H 1 1.306 0.03 . 2 . . . . 121 GLN HG2 . 15028 2 1211 . 2 2 121 121 GLN HE21 H 1 8.799 0.03 . 2 . . . . 121 GLN HE21 . 15028 2 1212 . 2 2 121 121 GLN HE22 H 1 6.604 0.03 . 2 . . . . 121 GLN HE22 . 15028 2 1213 . 2 2 121 121 GLN CA C 13 59.876 0.30 . 1 . . . . 121 GLN CA . 15028 2 1214 . 2 2 121 121 GLN CB C 13 29.875 0.30 . 1 . . . . 121 GLN CB . 15028 2 1215 . 2 2 121 121 GLN CG C 13 34.375 0.30 . 1 . . . . 121 GLN CG . 15028 2 1216 . 2 2 121 121 GLN N N 15 115.632 0.30 . 1 . . . . 121 GLN N . 15028 2 1217 . 2 2 121 121 GLN NE2 N 15 116.218 0.30 . 1 . . . . 121 GLN NE2 . 15028 2 1218 . 2 2 122 122 ARG H H 1 7.994 0.03 . 1 . . . . 122 ARG HN . 15028 2 1219 . 2 2 122 122 ARG HA H 1 3.985 0.03 . 1 . . . . 122 ARG HA . 15028 2 1220 . 2 2 122 122 ARG HB2 H 1 1.854 0.03 . 2 . . . . 122 ARG HB2 . 15028 2 1221 . 2 2 122 122 ARG HG2 H 1 1.354 0.03 . 2 . . . . 122 ARG HG1 . 15028 2 1222 . 2 2 122 122 ARG HG3 H 1 1.601 0.03 . 2 . . . . 122 ARG HG2 . 15028 2 1223 . 2 2 122 122 ARG HD2 H 1 2.948 0.03 . 2 . . . . 122 ARG HD1 . 15028 2 1224 . 2 2 122 122 ARG HD3 H 1 3.130 0.03 . 2 . . . . 122 ARG HD2 . 15028 2 1225 . 2 2 122 122 ARG CA C 13 59.626 0.30 . 1 . . . . 122 ARG CA . 15028 2 1226 . 2 2 122 122 ARG CB C 13 29.250 0.30 . 1 . . . . 122 ARG CB . 15028 2 1227 . 2 2 122 122 ARG CG C 13 27.125 0.30 . 1 . . . . 122 ARG CG . 15028 2 1228 . 2 2 122 122 ARG CD C 13 43.375 0.30 . 1 . . . . 122 ARG CD . 15028 2 1229 . 2 2 122 122 ARG N N 15 118.796 0.30 . 1 . . . . 122 ARG N . 15028 2 1230 . 2 2 123 123 VAL H H 1 8.146 0.03 . 1 . . . . 123 VAL HN . 15028 2 1231 . 2 2 123 123 VAL HA H 1 3.683 0.03 . 1 . . . . 123 VAL HA . 15028 2 1232 . 2 2 123 123 VAL HB H 1 1.780 0.03 . 1 . . . . 123 VAL HB . 15028 2 1233 . 2 2 123 123 VAL HG11 H 1 0.983 0.03 . 2 . . . . 123 VAL HG1 . 15028 2 1234 . 2 2 123 123 VAL HG12 H 1 0.983 0.03 . 2 . . . . 123 VAL HG1 . 15028 2 1235 . 2 2 123 123 VAL HG13 H 1 0.983 0.03 . 2 . . . . 123 VAL HG1 . 15028 2 1236 . 2 2 123 123 VAL HG21 H 1 0.976 0.03 . 2 . . . . 123 VAL HG2 . 15028 2 1237 . 2 2 123 123 VAL HG22 H 1 0.976 0.03 . 2 . . . . 123 VAL HG2 . 15028 2 1238 . 2 2 123 123 VAL HG23 H 1 0.976 0.03 . 2 . . . . 123 VAL HG2 . 15028 2 1239 . 2 2 123 123 VAL CA C 13 66.751 0.30 . 1 . . . . 123 VAL CA . 15028 2 1240 . 2 2 123 123 VAL CB C 13 32.250 0.30 . 1 . . . . 123 VAL CB . 15028 2 1241 . 2 2 123 123 VAL CG1 C 13 21.750 0.30 . 1 . . . . 123 VAL CG1 . 15028 2 1242 . 2 2 123 123 VAL CG2 C 13 23.625 0.30 . 1 . . . . 123 VAL CG2 . 15028 2 1243 . 2 2 123 123 VAL N N 15 119.381 0.30 . 1 . . . . 123 VAL N . 15028 2 1244 . 2 2 124 124 ARG H H 1 8.214 0.03 . 1 . . . . 124 ARG HN . 15028 2 1245 . 2 2 124 124 ARG HA H 1 3.986 0.03 . 1 . . . . 124 ARG HA . 15028 2 1246 . 2 2 124 124 ARG HB2 H 1 1.921 0.03 . 2 . . . . 124 ARG HB1 . 15028 2 1247 . 2 2 124 124 ARG HB3 H 1 2.054 0.03 . 2 . . . . 124 ARG HB2 . 15028 2 1248 . 2 2 124 124 ARG CA C 13 60.413 0.30 . 1 . . . . 124 ARG CA . 15028 2 1249 . 2 2 124 124 ARG CB C 13 30.049 0.30 . 1 . . . . 124 ARG CB . 15028 2 1250 . 2 2 124 124 ARG N N 15 119.147 0.30 . 1 . . . . 124 ARG N . 15028 2 1251 . 2 2 125 125 ASP H H 1 8.281 0.03 . 1 . . . . 125 ASP HN . 15028 2 1252 . 2 2 125 125 ASP HA H 1 4.538 0.03 . 1 . . . . 125 ASP HA . 15028 2 1253 . 2 2 125 125 ASP HB2 H 1 2.633 0.03 . 2 . . . . 125 ASP HB1 . 15028 2 1254 . 2 2 125 125 ASP HB3 H 1 2.845 0.03 . 2 . . . . 125 ASP HB2 . 15028 2 1255 . 2 2 125 125 ASP CA C 13 57.375 0.30 . 1 . . . . 125 ASP CA . 15028 2 1256 . 2 2 125 125 ASP CB C 13 39.500 0.30 . 1 . . . . 125 ASP CB . 15028 2 1257 . 2 2 125 125 ASP N N 15 121.843 0.30 . 1 . . . . 125 ASP N . 15028 2 1258 . 2 2 126 126 GLU H H 1 8.707 0.03 . 1 . . . . 126 GLU HN . 15028 2 1259 . 2 2 126 126 GLU HA H 1 4.008 0.03 . 1 . . . . 126 GLU HA . 15028 2 1260 . 2 2 126 126 GLU HB2 H 1 2.234 0.03 . 2 . . . . 126 GLU HB1 . 15028 2 1261 . 2 2 126 126 GLU HB3 H 1 2.366 0.03 . 2 . . . . 126 GLU HB2 . 15028 2 1262 . 2 2 126 126 GLU HG2 H 1 2.622 0.03 . 2 . . . . 126 GLU HG2 . 15028 2 1263 . 2 2 126 126 GLU CA C 13 59.501 0.30 . 1 . . . . 126 GLU CA . 15028 2 1264 . 2 2 126 126 GLU CB C 13 30.250 0.30 . 1 . . . . 126 GLU CB . 15028 2 1265 . 2 2 126 126 GLU CG C 13 37.000 0.30 . 1 . . . . 126 GLU CG . 15028 2 1266 . 2 2 126 126 GLU N N 15 123.015 0.30 . 1 . . . . 126 GLU N . 15028 2 1267 . 2 2 127 127 ILE H H 1 8.146 0.03 . 1 . . . . 127 ILE HN . 15028 2 1268 . 2 2 127 127 ILE HA H 1 3.056 0.03 . 1 . . . . 127 ILE HA . 15028 2 1269 . 2 2 127 127 ILE HB H 1 1.558 0.03 . 1 . . . . 127 ILE HB . 15028 2 1270 . 2 2 127 127 ILE HG12 H 1 -0.796 0.03 . 1 . . . . 127 ILE HG11 . 15028 2 1271 . 2 2 127 127 ILE HG13 H 1 1.073 0.03 . 1 . . . . 127 ILE HG12 . 15028 2 1272 . 2 2 127 127 ILE HG21 H 1 0.615 0.03 . 1 . . . . 127 ILE HG2 . 15028 2 1273 . 2 2 127 127 ILE HG22 H 1 0.615 0.03 . 1 . . . . 127 ILE HG2 . 15028 2 1274 . 2 2 127 127 ILE HG23 H 1 0.615 0.03 . 1 . . . . 127 ILE HG2 . 15028 2 1275 . 2 2 127 127 ILE HD11 H 1 0.614 0.03 . 1 . . . . 127 ILE HD1 . 15028 2 1276 . 2 2 127 127 ILE HD12 H 1 0.614 0.03 . 1 . . . . 127 ILE HD1 . 15028 2 1277 . 2 2 127 127 ILE HD13 H 1 0.614 0.03 . 1 . . . . 127 ILE HD1 . 15028 2 1278 . 2 2 127 127 ILE CA C 13 65.626 0.30 . 1 . . . . 127 ILE CA . 15028 2 1279 . 2 2 127 127 ILE CB C 13 37.625 0.30 . 1 . . . . 127 ILE CB . 15028 2 1280 . 2 2 127 127 ILE CG1 C 13 26.625 0.30 . 1 . . . . 127 ILE CG1 . 15028 2 1281 . 2 2 127 127 ILE CG2 C 13 17.249 0.30 . 1 . . . . 127 ILE CG2 . 15028 2 1282 . 2 2 127 127 ILE CD1 C 13 15.499 0.30 . 1 . . . . 127 ILE CD1 . 15028 2 1283 . 2 2 127 127 ILE N N 15 120.905 0.30 . 1 . . . . 127 ILE N . 15028 2 1284 . 2 2 128 128 GLY H H 1 7.947 0.03 . 1 . . . . 128 GLY HN . 15028 2 1285 . 2 2 128 128 GLY HA2 H 1 1.954 0.03 . 2 . . . . 128 GLY HA2 . 15028 2 1286 . 2 2 128 128 GLY CA C 13 46.000 0.30 . 1 . . . . 128 GLY CA . 15028 2 1287 . 2 2 128 128 GLY N N 15 107.764 0.30 . 1 . . . . 128 GLY N . 15028 2 1288 . 2 2 129 129 ASN H H 1 8.151 0.03 . 1 . . . . 129 ASN HN . 15028 2 1289 . 2 2 129 129 ASN HA H 1 4.125 0.03 . 1 . . . . 129 ASN HA . 15028 2 1290 . 2 2 129 129 ASN HB2 H 1 2.609 0.03 . 2 . . . . 129 ASN HB1 . 15028 2 1291 . 2 2 129 129 ASN HB3 H 1 2.675 0.03 . 2 . . . . 129 ASN HB2 . 15028 2 1292 . 2 2 129 129 ASN HD21 H 1 7.472 0.03 . 2 . . . . 129 ASN HD21 . 15028 2 1293 . 2 2 129 129 ASN HD22 H 1 6.848 0.03 . 2 . . . . 129 ASN HD22 . 15028 2 1294 . 2 2 129 129 ASN CA C 13 55.875 0.30 . 1 . . . . 129 ASN CA . 15028 2 1295 . 2 2 129 129 ASN CB C 13 38.000 0.30 . 1 . . . . 129 ASN CB . 15028 2 1296 . 2 2 129 129 ASN N N 15 118.444 0.30 . 1 . . . . 129 ASN N . 15028 2 1297 . 2 2 129 129 ASN ND2 N 15 112.585 0.30 . 1 . . . . 129 ASN ND2 . 15028 2 1298 . 2 2 130 130 ARG H H 1 7.624 0.03 . 1 . . . . 130 ARG HN . 15028 2 1299 . 2 2 130 130 ARG CA C 13 57.039 0.30 . 1 . . . . 130 ARG CA . 15028 2 1300 . 2 2 130 130 ARG CB C 13 28.806 0.30 . 1 . . . . 130 ARG CB . 15028 2 1301 . 2 2 130 130 ARG N N 15 121.022 0.30 . 1 . . . . 130 ARG N . 15028 2 1302 . 2 2 131 131 LEU H H 1 8.107 0.03 . 1 . . . . 131 LEU HN . 15028 2 1303 . 2 2 131 131 LEU HA H 1 4.188 0.03 . 1 . . . . 131 LEU HA . 15028 2 1304 . 2 2 131 131 LEU HB2 H 1 1.458 0.03 . 2 . . . . 131 LEU HB1 . 15028 2 1305 . 2 2 131 131 LEU HB3 H 1 1.948 0.03 . 2 . . . . 131 LEU HB2 . 15028 2 1306 . 2 2 131 131 LEU HG H 1 1.063 0.03 . 1 . . . . 131 LEU HG . 15028 2 1307 . 2 2 131 131 LEU HD11 H 1 1.072 0.03 . 2 . . . . 131 LEU HD1 . 15028 2 1308 . 2 2 131 131 LEU HD12 H 1 1.072 0.03 . 2 . . . . 131 LEU HD1 . 15028 2 1309 . 2 2 131 131 LEU HD13 H 1 1.072 0.03 . 2 . . . . 131 LEU HD1 . 15028 2 1310 . 2 2 131 131 LEU HD21 H 1 1.168 0.03 . 2 . . . . 131 LEU HD2 . 15028 2 1311 . 2 2 131 131 LEU HD22 H 1 1.168 0.03 . 2 . . . . 131 LEU HD2 . 15028 2 1312 . 2 2 131 131 LEU HD23 H 1 1.168 0.03 . 2 . . . . 131 LEU HD2 . 15028 2 1313 . 2 2 131 131 LEU CA C 13 56.875 0.30 . 1 . . . . 131 LEU CA . 15028 2 1314 . 2 2 131 131 LEU CB C 13 41.750 0.30 . 1 . . . . 131 LEU CB . 15028 2 1315 . 2 2 131 131 LEU CG C 13 26.499 0.30 . 1 . . . . 131 LEU CG . 15028 2 1316 . 2 2 131 131 LEU CD1 C 13 29.044 0.30 . 1 . . . . 131 LEU CD1 . 15028 2 1317 . 2 2 131 131 LEU CD2 C 13 24.072 0.30 . 1 . . . . 131 LEU CD2 . 15028 2 1318 . 2 2 131 131 LEU N N 15 121.726 0.30 . 1 . . . . 131 LEU N . 15028 2 1319 . 2 2 132 132 LYS H H 1 8.249 0.03 . 1 . . . . 132 LYS HN . 15028 2 1320 . 2 2 132 132 LYS HA H 1 3.003 0.03 . 1 . . . . 132 LYS HA . 15028 2 1321 . 2 2 132 132 LYS HB2 H 1 1.213 0.03 . 2 . . . . 132 LYS HB1 . 15028 2 1322 . 2 2 132 132 LYS HB3 H 1 1.571 0.03 . 2 . . . . 132 LYS HB2 . 15028 2 1323 . 2 2 132 132 LYS HG2 H 1 0.886 0.03 . 2 . . . . 132 LYS HG1 . 15028 2 1324 . 2 2 132 132 LYS HG3 H 1 0.976 0.03 . 2 . . . . 132 LYS HG2 . 15028 2 1325 . 2 2 132 132 LYS HD2 H 1 1.354 0.03 . 2 . . . . 132 LYS HD1 . 15028 2 1326 . 2 2 132 132 LYS HD3 H 1 1.425 0.03 . 2 . . . . 132 LYS HD2 . 15028 2 1327 . 2 2 132 132 LYS HE2 H 1 2.798 0.03 . 2 . . . . 132 LYS HE2 . 15028 2 1328 . 2 2 132 132 LYS CA C 13 59.750 0.30 . 1 . . . . 132 LYS CA . 15028 2 1329 . 2 2 132 132 LYS CB C 13 31.875 0.30 . 1 . . . . 132 LYS CB . 15028 2 1330 . 2 2 132 132 LYS CG C 13 24.625 0.30 . 1 . . . . 132 LYS CG . 15028 2 1331 . 2 2 132 132 LYS CD C 13 29.250 0.30 . 1 . . . . 132 LYS CD . 15028 2 1332 . 2 2 132 132 LYS CE C 13 42.125 0.30 . 1 . . . . 132 LYS CE . 15028 2 1333 . 2 2 132 132 LYS N N 15 123.132 0.30 . 1 . . . . 132 LYS N . 15028 2 1334 . 2 2 133 133 GLU H H 1 7.454 0.03 . 1 . . . . 133 GLU HN . 15028 2 1335 . 2 2 133 133 GLU HA H 1 4.029 0.03 . 1 . . . . 133 GLU HA . 15028 2 1336 . 2 2 133 133 GLU HB2 H 1 1.973 0.03 . 2 . . . . 133 GLU HB1 . 15028 2 1337 . 2 2 133 133 GLU HB3 H 1 2.029 0.03 . 2 . . . . 133 GLU HB2 . 15028 2 1338 . 2 2 133 133 GLU HG2 H 1 2.060 0.03 . 2 . . . . 133 GLU HG1 . 15028 2 1339 . 2 2 133 133 GLU HG3 H 1 2.254 0.03 . 2 . . . . 133 GLU HG2 . 15028 2 1340 . 2 2 133 133 GLU CA C 13 59.250 0.30 . 1 . . . . 133 GLU CA . 15028 2 1341 . 2 2 133 133 GLU CB C 13 29.375 0.30 . 1 . . . . 133 GLU CB . 15028 2 1342 . 2 2 133 133 GLU CG C 13 36.000 0.30 . 1 . . . . 133 GLU CG . 15028 2 1343 . 2 2 133 133 GLU N N 15 117.858 0.30 . 1 . . . . 133 GLU N . 15028 2 1344 . 2 2 134 134 PHE H H 1 8.185 0.03 . 1 . . . . 134 PHE HN . 15028 2 1345 . 2 2 134 134 PHE HA H 1 4.552 0.03 . 1 . . . . 134 PHE HA . 15028 2 1346 . 2 2 134 134 PHE HB2 H 1 3.141 0.03 . 1 . . . . 134 PHE HB1 . 15028 2 1347 . 2 2 134 134 PHE HB3 H 1 3.141 0.03 . 1 . . . . 134 PHE HB2 . 15028 2 1348 . 2 2 134 134 PHE HD1 H 1 7.070 0.03 . 3 . . . . 134 PHE HD1 . 15028 2 1349 . 2 2 134 134 PHE HE1 H 1 6.939 0.03 . 3 . . . . 134 PHE HE1 . 15028 2 1350 . 2 2 134 134 PHE CA C 13 61.000 0.30 . 1 . . . . 134 PHE CA . 15028 2 1351 . 2 2 134 134 PHE CB C 13 39.625 0.30 . 1 . . . . 134 PHE CB . 15028 2 1352 . 2 2 134 134 PHE N N 15 122.897 0.30 . 1 . . . . 134 PHE N . 15028 2 1353 . 2 2 135 135 ALA H H 1 8.793 0.03 . 1 . . . . 135 ALA HN . 15028 2 1354 . 2 2 135 135 ALA HA H 1 3.757 0.03 . 1 . . . . 135 ALA HA . 15028 2 1355 . 2 2 135 135 ALA HB1 H 1 1.453 0.03 . 1 . . . . 135 ALA HB . 15028 2 1356 . 2 2 135 135 ALA HB2 H 1 1.453 0.03 . 1 . . . . 135 ALA HB . 15028 2 1357 . 2 2 135 135 ALA HB3 H 1 1.453 0.03 . 1 . . . . 135 ALA HB . 15028 2 1358 . 2 2 135 135 ALA CA C 13 54.750 0.30 . 1 . . . . 135 ALA CA . 15028 2 1359 . 2 2 135 135 ALA CB C 13 18.749 0.30 . 1 . . . . 135 ALA CB . 15028 2 1360 . 2 2 135 135 ALA N N 15 122.780 0.30 . 1 . . . . 135 ALA N . 15028 2 1361 . 2 2 136 136 GLU H H 1 7.947 0.03 . 1 . . . . 136 GLU HN . 15028 2 1362 . 2 2 136 136 GLU HA H 1 4.164 0.03 . 1 . . . . 136 GLU HA . 15028 2 1363 . 2 2 136 136 GLU HB2 H 1 2.026 0.03 . 2 . . . . 136 GLU HB1 . 15028 2 1364 . 2 2 136 136 GLU HB3 H 1 2.107 0.03 . 2 . . . . 136 GLU HB2 . 15028 2 1365 . 2 2 136 136 GLU HG2 H 1 2.210 0.03 . 2 . . . . 136 GLU HG1 . 15028 2 1366 . 2 2 136 136 GLU HG3 H 1 2.448 0.03 . 2 . . . . 136 GLU HG2 . 15028 2 1367 . 2 2 136 136 GLU CA C 13 58.626 0.30 . 1 . . . . 136 GLU CA . 15028 2 1368 . 2 2 136 136 GLU CB C 13 30.375 0.30 . 1 . . . . 136 GLU CB . 15028 2 1369 . 2 2 136 136 GLU CG C 13 36.625 0.30 . 1 . . . . 136 GLU CG . 15028 2 1370 . 2 2 136 136 GLU N N 15 115.046 0.30 . 1 . . . . 136 GLU N . 15028 2 1371 . 2 2 137 137 THR H H 1 8.117 0.03 . 1 . . . . 137 THR HN . 15028 2 1372 . 2 2 137 137 THR HA H 1 4.497 0.03 . 1 . . . . 137 THR HA . 15028 2 1373 . 2 2 137 137 THR HB H 1 4.252 0.03 . 1 . . . . 137 THR HB . 15028 2 1374 . 2 2 137 137 THR HG21 H 1 1.282 0.03 . 1 . . . . 137 THR HG2 . 15028 2 1375 . 2 2 137 137 THR HG22 H 1 1.282 0.03 . 1 . . . . 137 THR HG2 . 15028 2 1376 . 2 2 137 137 THR HG23 H 1 1.282 0.03 . 1 . . . . 137 THR HG2 . 15028 2 1377 . 2 2 137 137 THR CA C 13 62.626 0.30 . 1 . . . . 137 THR CA . 15028 2 1378 . 2 2 137 137 THR CB C 13 71.876 0.30 . 1 . . . . 137 THR CB . 15028 2 1379 . 2 2 137 137 THR CG2 C 13 21.374 0.30 . 1 . . . . 137 THR CG2 . 15028 2 1380 . 2 2 137 137 THR N N 15 108.015 0.30 . 1 . . . . 137 THR N . 15028 2 1381 . 2 2 138 138 GLY H H 1 8.371 0.03 . 1 . . . . 138 GLY HN . 15028 2 1382 . 2 2 138 138 GLY HA2 H 1 3.459 0.03 . 2 . . . . 138 GLY HA1 . 15028 2 1383 . 2 2 138 138 GLY HA3 H 1 3.928 0.03 . 2 . . . . 138 GLY HA2 . 15028 2 1384 . 2 2 138 138 GLY CA C 13 45.625 0.30 . 1 . . . . 138 GLY CA . 15028 2 1385 . 2 2 138 138 GLY N N 15 112.702 0.30 . 1 . . . . 138 GLY N . 15028 2 1386 . 2 2 139 139 LYS H H 1 7.722 0.03 . 1 . . . . 139 LYS HN . 15028 2 1387 . 2 2 139 139 LYS HA H 1 4.404 0.03 . 1 . . . . 139 LYS HA . 15028 2 1388 . 2 2 139 139 LYS HB2 H 1 1.711 0.03 . 2 . . . . 139 LYS HB1 . 15028 2 1389 . 2 2 139 139 LYS HB3 H 1 1.835 0.03 . 2 . . . . 139 LYS HB2 . 15028 2 1390 . 2 2 139 139 LYS HG2 H 1 1.354 0.03 . 2 . . . . 139 LYS HG2 . 15028 2 1391 . 2 2 139 139 LYS HD2 H 1 1.684 0.03 . 2 . . . . 139 LYS HD2 . 15028 2 1392 . 2 2 139 139 LYS HE2 H 1 3.022 0.03 . 2 . . . . 139 LYS HE2 . 15028 2 1393 . 2 2 139 139 LYS CA C 13 57.125 0.30 . 1 . . . . 139 LYS CA . 15028 2 1394 . 2 2 139 139 LYS CB C 13 34.750 0.30 . 1 . . . . 139 LYS CB . 15028 2 1395 . 2 2 139 139 LYS CG C 13 24.749 0.30 . 1 . . . . 139 LYS CG . 15028 2 1396 . 2 2 139 139 LYS CD C 13 29.375 0.30 . 1 . . . . 139 LYS CD . 15028 2 1397 . 2 2 139 139 LYS CE C 13 41.750 0.30 . 1 . . . . 139 LYS CE . 15028 2 1398 . 2 2 139 139 LYS N N 15 124.890 0.30 . 1 . . . . 139 LYS N . 15028 2 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 1 209 15028 2 1 210 15028 2 2 213 15028 2 2 214 15028 2 3 307 15028 2 4 310 15028 2 4 311 15028 2 5 1024 15028 2 6 1027 15028 2 6 1028 15028 2 7 1173 15028 2 8 1176 15028 2 8 1177 15028 2 stop_ save_