data_19961 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19961 _Entry.Title ; Solution structure of SUMO Dimer in Complex with SIM2-3 from RNF4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-09 _Entry.Accession_date 2014-05-09 _Entry.Last_release_date 2014-06-30 _Entry.Original_release_date 2014-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Yingqi Xu . . . 19961 2 Anna Plechanovov . . . 19961 3 Pete Simpson . . . 19961 4 Jan Marchant . . . 19961 5 Orsolya Leidecker . . . 19961 6 Kraatz Sebastian . . . 19961 7 Ronald Hay . T. . 19961 8 Stephen Matthews . J. . 19961 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19961 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SUMO . 19961 Dimer . 19961 SIM . 19961 RNF4 . 19961 Complex . 19961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 19961 '1H chemical shifts' 919 19961 '15N chemical shifts' 113 19961 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 . . 2014-06-30 2014-05-09 original author . 19961 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MP2 'BMRB Entry Tracking System' 19961 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19961 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24969970 _Citation.Full_citation . _Citation.Title 'Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4217 _Citation.Page_last 4217 _Citation.Year 2014 _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 Yingqi Xu . . . 19961 1 2 Anna Plechanovov . . . 19961 1 3 Pete Simpson . . . 19961 1 4 Jan Marchant . . . 19961 1 5 Orsolya Leidecker . . . 19961 1 6 Kraatz Sebastian . . . 19961 1 7 Ronald Hay . T. . 19961 1 8 Stephen Matthews . J. . 19961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19961 _Assembly.ID 1 _Assembly.Name 'SUMO Dimer in Complex with SIM2-3 from RNF4' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 19961 1 2 entity_2 2 $entity_2 B . yes native no no . . . 19961 1 3 entity_3 3 $entity_3 C . no native no no . . . 19961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTENDHINLKVAGQDGSVVQ FKIKRHTPLSKLMKAYCERQ GLSMRQIRFRFDGQPINETD TPAQLEMEDEDTIDVFQQQT GG ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9350.515 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 11267 . "ubiquitin-like molecule" . . . . . 96.34 104 98.73 98.73 3.54e-50 . . . . 19961 1 2 no PDB 1U4A . "Solution Structure Of Human Sumo-3 C47s" . . . . . 96.34 87 98.73 98.73 1.40e-49 . . . . 19961 1 3 no PDB 1WM2 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 91.46 78 100.00 100.00 9.52e-48 . . . . 19961 1 4 no PDB 1WM3 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 87.80 72 100.00 100.00 2.67e-45 . . . . 19961 1 5 no PDB 1WZ0 . "Solution Structure Of Human Sumo-2 (Smt3b), A Ubiquitin- Like Protein" . . . . . 96.34 104 98.73 98.73 3.54e-50 . . . . 19961 1 6 no PDB 2AWT . "Solution Structure Of Human Small Ubiquitin-Like Modifier Protein Isoform 2 (Sumo-2)" . . . . . 96.34 95 100.00 100.00 8.93e-51 . . . . 19961 1 7 no PDB 2CKH . "Senp1-sumo2 Complex" . . . . . 96.34 79 100.00 100.00 1.25e-50 . . . . 19961 1 8 no PDB 2D07 . "Crystal Structure Of Sumo-3-Modified Thymine-Dna Glycosylase" . . . . . 96.34 93 100.00 100.00 9.19e-51 . . . . 19961 1 9 no PDB 2IO0 . "Crystal Structure Of Human Senp2 In Complex With Presumo-2" . . . . . 96.34 91 100.00 100.00 7.28e-51 . . . . 19961 1 10 no PDB 2IO1 . "Crystal Structure Of Human Senp2 In Complex With Presumo-3" . . . . . 96.34 94 100.00 100.00 1.03e-50 . . . . 19961 1 11 no PDB 2IO3 . "Crystal Structure Of Human Senp2 In Complex With Rangap1- Sumo-2" . . . . . 96.34 81 100.00 100.00 9.32e-51 . . . . 19961 1 12 no PDB 2IYD . "Senp1 Covalent Complex With Sumo-2" . . . . . 96.34 81 100.00 100.00 1.13e-50 . . . . 19961 1 13 no PDB 2MP2 . "Solution Structure Of Sumo Dimer In Complex With Sim2-3 From Rnf4" . . . . . 100.00 82 100.00 100.00 6.60e-53 . . . . 19961 1 14 no PDB 2RPQ . "Solution Structure Of A Sumo-Interacting Motif Of Mbd1- Containing Chromatin-Associated Factor 1 Bound To Sumo-3" . . . . . 96.34 93 100.00 100.00 9.19e-51 . . . . 19961 1 15 no PDB 3UIN . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" . . . . . 96.34 80 100.00 100.00 1.06e-50 . . . . 19961 1 16 no PDB 3UIO . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 96.34 80 100.00 100.00 1.06e-50 . . . . 19961 1 17 no PDB 3ZO5 . "Structure Of Senp2-loop1 In Complex With Presumo-2" . . . . . 96.34 89 100.00 100.00 9.53e-51 . . . . 19961 1 18 no PDB 4BKG . "Crystal Structure Of Human Disumo-2" . . . . . 96.34 168 100.00 100.00 9.84e-50 . . . . 19961 1 19 no PDB 4NPN . "Crystal Structure Of Human Tetra-sumo-2" . . . . . 96.34 102 100.00 100.00 1.09e-50 . . . . 19961 1 20 no PDB 5D2M . "Complex Between Human Sumo2-rangap1, Ubc9 And Znf451" . . . . . 96.34 83 100.00 100.00 1.34e-50 . . . . 19961 1 21 no DBJ BAB28360 . "unnamed protein product [Mus musculus]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 22 no DBJ BAB28442 . "unnamed protein product [Mus musculus]" . . . . . 98.78 110 100.00 100.00 5.62e-52 . . . . 19961 1 23 no DBJ BAB28601 . "unnamed protein product [Mus musculus]" . . . . . 98.78 110 100.00 100.00 5.62e-52 . . . . 19961 1 24 no DBJ BAC39397 . "unnamed protein product [Mus musculus]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 25 no DBJ BAD96311 . "small ubiquitin-like modifier protein 3 variant [Homo sapiens]" . . . . . 98.78 103 98.77 100.00 1.28e-51 . . . . 19961 1 26 no EMBL CAA67896 . "SMT3A protein [Homo sapiens]" . . . . . 98.78 103 97.53 97.53 2.98e-50 . . . . 19961 1 27 no EMBL CAA67897 . "SMT3B protein [Homo sapiens]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 28 no EMBL CAG10356 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 98.78 87 97.53 98.77 1.91e-50 . . . . 19961 1 29 no EMBL CAG32064 . "hypothetical protein RCJMB04_17a7 [Gallus gallus]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 30 no EMBL CAG32742 . "hypothetical protein RCJMB04_34j10 [Gallus gallus]" . . . . . 98.78 94 98.77 98.77 2.08e-51 . . . . 19961 1 31 no GB AAB49682 . "ubiquitin-like protein [Bos taurus]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 32 no GB AAB92355 . "nonstructural protein P125-2, partial [Bovine viral diarrhea virus 1]" . . . . . 96.34 239 100.00 100.00 4.49e-49 . . . . 19961 1 33 no GB AAC99333 . "Smt3A protein [Mus musculus]" . . . . . 98.78 110 100.00 100.00 5.62e-52 . . . . 19961 1 34 no GB AAD45399 . "MIF2 suppressor [Homo sapiens]" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 35 no GB AAH00036 . "SMT3 suppressor of mif two 3 homolog 3 (S. cerevisiae) [Homo sapiens]" . . . . . 98.78 103 100.00 100.00 2.98e-52 . . . . 19961 1 36 no REF NP_001002677 . "small ubiquitin-related modifier 3 precursor [Danio rerio]" . . . . . 98.78 94 98.77 100.00 1.66e-51 . . . . 19961 1 37 no REF NP_001003422 . "small ubiquitin-related modifier 2 precursor [Danio rerio]" . . . . . 96.34 96 98.73 100.00 3.55e-50 . . . . 19961 1 38 no REF NP_001004853 . "small ubiquitin-related modifier 3 [Xenopus (Silurana) tropicalis]" . . . . . 98.78 94 98.77 100.00 2.04e-51 . . . . 19961 1 39 no REF NP_001016406 . "small ubiquitin-related modifier 2 precursor [Xenopus (Silurana) tropicalis]" . . . . . 96.34 95 98.73 100.00 4.93e-50 . . . . 19961 1 40 no REF NP_001019466 . "small ubiquitin-related modifier 3 precursor [Rattus norvegicus]" . . . . . 98.78 110 100.00 100.00 4.47e-52 . . . . 19961 1 41 no SP P55854 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; AltName: Full=SMT3 homolog 1; AltName: Full=SUMO-2; AltName: Fu" . . . . . 98.78 103 100.00 100.00 2.98e-52 . . . . 19961 1 42 no SP P61955 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=Ubiquitin-like protein SMT3B; Short=Smt3B; Flags:" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 43 no SP P61956 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=HSMT3; AltName: Full=SMT3 homolog 2; AltName: Ful" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 44 no SP P61957 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=SMT3 homolog 2; AltName: Full=Ubiquitin-like prot" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 45 no SP P61958 . "RecName: Full=Small ubiquitin-related modifier 2; Short=SUMO-2; AltName: Full=MIF2 suppressor; AltName: Full=SMT3 homolog 2; Al" . . . . . 96.34 95 100.00 100.00 8.83e-51 . . . . 19961 1 46 no TPG DAA13334 . "TPA: SMT3 supressor of mif two 3 homolog 2-like isoform 1 [Bos taurus]" . . . . . 96.34 95 98.73 98.73 4.47e-50 . . . . 19961 1 47 no TPG DAA18189 . "TPA: small ubiquitin-related modifier 2 precursor [Bos taurus]" . . . . . 90.24 88 100.00 100.00 4.66e-47 . . . . 19961 1 48 no TPG DAA33002 . "TPA: small ubiquitin-related modifier 3 precursor [Bos taurus]" . . . . . 98.78 104 100.00 100.00 2.75e-52 . . . . 19961 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 . GLY . 19961 1 2 . THR . 19961 1 3 . GLU . 19961 1 4 . ASN . 19961 1 5 . ASP . 19961 1 6 . HIS . 19961 1 7 . ILE . 19961 1 8 . ASN . 19961 1 9 . LEU . 19961 1 10 . LYS . 19961 1 11 . VAL . 19961 1 12 . ALA . 19961 1 13 . GLY . 19961 1 14 . GLN . 19961 1 15 . ASP . 19961 1 16 . GLY . 19961 1 17 . SER . 19961 1 18 . VAL . 19961 1 19 . VAL . 19961 1 20 . GLN . 19961 1 21 . PHE . 19961 1 22 . LYS . 19961 1 23 . ILE . 19961 1 24 . LYS . 19961 1 25 . ARG . 19961 1 26 . HIS . 19961 1 27 . THR . 19961 1 28 . PRO . 19961 1 29 . LEU . 19961 1 30 . SER . 19961 1 31 . LYS . 19961 1 32 . LEU . 19961 1 33 . MET . 19961 1 34 . LYS . 19961 1 35 . ALA . 19961 1 36 . TYR . 19961 1 37 . CYS . 19961 1 38 . GLU . 19961 1 39 . ARG . 19961 1 40 . GLN . 19961 1 41 . GLY . 19961 1 42 . LEU . 19961 1 43 . SER . 19961 1 44 . MET . 19961 1 45 . ARG . 19961 1 46 . GLN . 19961 1 47 . ILE . 19961 1 48 . ARG . 19961 1 49 . PHE . 19961 1 50 . ARG . 19961 1 51 . PHE . 19961 1 52 . ASP . 19961 1 53 . GLY . 19961 1 54 . GLN . 19961 1 55 . PRO . 19961 1 56 . ILE . 19961 1 57 . ASN . 19961 1 58 . GLU . 19961 1 59 . THR . 19961 1 60 . ASP . 19961 1 61 . THR . 19961 1 62 . PRO . 19961 1 63 . ALA . 19961 1 64 . GLN . 19961 1 65 . LEU . 19961 1 66 . GLU . 19961 1 67 . MET . 19961 1 68 . GLU . 19961 1 69 . ASP . 19961 1 70 . GLU . 19961 1 71 . ASP . 19961 1 72 . THR . 19961 1 73 . ILE . 19961 1 74 . ASP . 19961 1 75 . VAL . 19961 1 76 . PHE . 19961 1 77 . GLN . 19961 1 78 . GLN . 19961 1 79 . GLN . 19961 1 80 . THR . 19961 1 81 . GLY . 19961 1 82 . GLY . 19961 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19961 1 . THR 2 2 19961 1 . GLU 3 3 19961 1 . ASN 4 4 19961 1 . ASP 5 5 19961 1 . HIS 6 6 19961 1 . ILE 7 7 19961 1 . ASN 8 8 19961 1 . LEU 9 9 19961 1 . LYS 10 10 19961 1 . VAL 11 11 19961 1 . ALA 12 12 19961 1 . GLY 13 13 19961 1 . GLN 14 14 19961 1 . ASP 15 15 19961 1 . GLY 16 16 19961 1 . SER 17 17 19961 1 . VAL 18 18 19961 1 . VAL 19 19 19961 1 . GLN 20 20 19961 1 . PHE 21 21 19961 1 . LYS 22 22 19961 1 . ILE 23 23 19961 1 . LYS 24 24 19961 1 . ARG 25 25 19961 1 . HIS 26 26 19961 1 . THR 27 27 19961 1 . PRO 28 28 19961 1 . LEU 29 29 19961 1 . SER 30 30 19961 1 . LYS 31 31 19961 1 . LEU 32 32 19961 1 . MET 33 33 19961 1 . LYS 34 34 19961 1 . ALA 35 35 19961 1 . TYR 36 36 19961 1 . CYS 37 37 19961 1 . GLU 38 38 19961 1 . ARG 39 39 19961 1 . GLN 40 40 19961 1 . GLY 41 41 19961 1 . LEU 42 42 19961 1 . SER 43 43 19961 1 . MET 44 44 19961 1 . ARG 45 45 19961 1 . GLN 46 46 19961 1 . ILE 47 47 19961 1 . ARG 48 48 19961 1 . PHE 49 49 19961 1 . ARG 50 50 19961 1 . PHE 51 51 19961 1 . ASP 52 52 19961 1 . GLY 53 53 19961 1 . GLN 54 54 19961 1 . PRO 55 55 19961 1 . ILE 56 56 19961 1 . ASN 57 57 19961 1 . GLU 58 58 19961 1 . THR 59 59 19961 1 . ASP 60 60 19961 1 . THR 61 61 19961 1 . PRO 62 62 19961 1 . ALA 63 63 19961 1 . GLN 64 64 19961 1 . LEU 65 65 19961 1 . GLU 66 66 19961 1 . MET 67 67 19961 1 . GLU 68 68 19961 1 . ASP 69 69 19961 1 . GLU 70 70 19961 1 . ASP 71 71 19961 1 . THR 72 72 19961 1 . ILE 73 73 19961 1 . ASP 74 74 19961 1 . VAL 75 75 19961 1 . PHE 76 76 19961 1 . GLN 77 77 19961 1 . GLN 78 78 19961 1 . GLN 79 79 19961 1 . THR 80 80 19961 1 . GLY 81 81 19961 1 . GLY 82 82 19961 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19961 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEEKPKEGVKTENDHINLK VAGQDGSVVQFKIKRHTPLS KLMKAYCERQGLSMRQIRFR FDGQPINETDTPAQLEMEDE DTIDVFQQQT ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10351.681 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1U4A . "Solution Structure Of Human Sumo-3 C47s" . . . . . 85.56 87 98.70 98.70 4.01e-48 . . . . 19961 2 2 no PDB 1WM2 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 83.33 78 100.00 100.00 5.13e-48 . . . . 19961 2 3 no PDB 1WM3 . "Crystal Structure Of Human Sumo-2 Protein" . . . . . 80.00 72 100.00 100.00 1.52e-45 . . . . 19961 2 4 no PDB 2CKH . "Senp1-sumo2 Complex" . . . . . 85.56 79 100.00 100.00 3.32e-49 . . . . 19961 2 5 no PDB 2IO0 . "Crystal Structure Of Human Senp2 In Complex With Presumo-2" . . . . . 85.56 91 100.00 100.00 2.11e-49 . . . . 19961 2 6 no PDB 2IO1 . "Crystal Structure Of Human Senp2 In Complex With Presumo-3" . . . . . 85.56 94 100.00 100.00 2.43e-49 . . . . 19961 2 7 no PDB 2IO3 . "Crystal Structure Of Human Senp2 In Complex With Rangap1- Sumo-2" . . . . . 85.56 81 100.00 100.00 2.18e-49 . . . . 19961 2 8 no PDB 2IYD . "Senp1 Covalent Complex With Sumo-2" . . . . . 85.56 81 100.00 100.00 3.02e-49 . . . . 19961 2 9 no PDB 2MP2 . "Solution Structure Of Sumo Dimer In Complex With Sim2-3 From Rnf4" . . . . . 100.00 90 100.00 100.00 4.68e-59 . . . . 19961 2 10 no PDB 3UIN . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" . . . . . 85.56 80 100.00 100.00 3.45e-49 . . . . 19961 2 11 no PDB 3UIO . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 85.56 80 100.00 100.00 3.45e-49 . . . . 19961 2 12 no PDB 3ZO5 . "Structure Of Senp2-loop1 In Complex With Presumo-2" . . . . . 85.56 89 100.00 100.00 2.42e-49 . . . . 19961 2 13 no PDB 4NPN . "Crystal Structure Of Human Tetra-sumo-2" . . . . . 85.56 102 100.00 100.00 1.87e-49 . . . . 19961 2 14 no DBJ BAB28442 . "unnamed protein product [Mus musculus]" . . . . . 98.89 110 100.00 100.00 1.05e-57 . . . . 19961 2 15 no DBJ BAB28601 . "unnamed protein product [Mus musculus]" . . . . . 98.89 110 100.00 100.00 1.05e-57 . . . . 19961 2 16 no DBJ BAD96311 . "small ubiquitin-like modifier protein 3 variant [Homo sapiens]" . . . . . 98.89 103 98.88 100.00 2.31e-57 . . . . 19961 2 17 no DBJ BAE28469 . "unnamed protein product [Mus musculus]" . . . . . 98.89 110 100.00 100.00 1.05e-57 . . . . 19961 2 18 no DBJ BAE29276 . "unnamed protein product [Mus musculus]" . . . . . 98.89 110 100.00 100.00 1.05e-57 . . . . 19961 2 19 no EMBL CAA67896 . "SMT3A protein [Homo sapiens]" . . . . . 98.89 103 97.75 97.75 3.33e-56 . . . . 19961 2 20 no EMBL CAG32742 . "hypothetical protein RCJMB04_34j10 [Gallus gallus]" . . . . . 98.89 94 98.88 98.88 2.94e-57 . . . . 19961 2 21 no EMBL CAG46970 . "SMT3H1 [Homo sapiens]" . . . . . 98.89 103 100.00 100.00 5.42e-58 . . . . 19961 2 22 no EMBL CAG46985 . "SMT3H1 [Homo sapiens]" . . . . . 98.89 103 100.00 100.00 5.42e-58 . . . . 19961 2 23 no EMBL CAJ81372 . "SMT3 suppressor of mif two 3 homolog 2 (yeast) [Xenopus (Silurana) tropicalis]" . . . . . 98.89 94 98.88 100.00 2.24e-57 . . . . 19961 2 24 no GB AAC99333 . "Smt3A protein [Mus musculus]" . . . . . 98.89 110 100.00 100.00 1.05e-57 . . . . 19961 2 25 no GB AAH00036 . "SMT3 suppressor of mif two 3 homolog 3 (S. cerevisiae) [Homo sapiens]" . . . . . 98.89 103 100.00 100.00 5.42e-58 . . . . 19961 2 26 no GB AAH08420 . "SMT3 suppressor of mif two 3 homolog 3 (S. cerevisiae) [Homo sapiens]" . . . . . 98.89 103 100.00 100.00 5.42e-58 . . . . 19961 2 27 no GB AAH54172 . "Sumo3 protein [Xenopus laevis]" . . . . . 98.89 94 98.88 100.00 2.24e-57 . . . . 19961 2 28 no GB AAH58303 . "SMT3 suppressor of mif two 3 homolog 3 (yeast) [Danio rerio]" . . . . . 98.89 94 97.75 100.00 1.03e-56 . . . . 19961 2 29 no REF NP_001002677 . "small ubiquitin-related modifier 3 precursor [Danio rerio]" . . . . . 98.89 94 98.88 100.00 2.44e-57 . . . . 19961 2 30 no REF NP_001004853 . "small ubiquitin-related modifier 3 [Xenopus (Silurana) tropicalis]" . . . . . 98.89 94 98.88 100.00 2.24e-57 . . . . 19961 2 31 no REF NP_001019466 . "small ubiquitin-related modifier 3 precursor [Rattus norvegicus]" . . . . . 98.89 110 100.00 100.00 7.63e-58 . . . . 19961 2 32 no REF NP_001069917 . "small ubiquitin-related modifier 3 precursor [Bos taurus]" . . . . . 98.89 104 100.00 100.00 3.49e-58 . . . . 19961 2 33 no REF NP_001072966 . "small ubiquitin-related modifier 3 precursor [Gallus gallus]" . . . . . 98.89 94 98.88 98.88 2.94e-57 . . . . 19961 2 34 no SP P55854 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; AltName: Full=SMT3 homolog 1; AltName: Full=SUMO-2; AltName: Fu" . . . . . 98.89 103 100.00 100.00 5.42e-58 . . . . 19961 2 35 no SP Q17QV3 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; Flags: Precursor [Bos taurus]" . . . . . 98.89 104 100.00 100.00 3.49e-58 . . . . 19961 2 36 no SP Q5XIF4 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; Flags: Precursor [Rattus norvegicus]" . . . . . 98.89 110 100.00 100.00 7.63e-58 . . . . 19961 2 37 no SP Q5ZHQ1 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; Flags: Precursor [Gallus gallus]" . . . . . 98.89 94 98.88 98.88 2.94e-57 . . . . 19961 2 38 no SP Q6DI05 . "RecName: Full=Small ubiquitin-related modifier 3; Short=SUMO-3; AltName: Full=SUMO-3-B; Flags: Precursor [Danio rerio]" . . . . . 98.89 94 97.75 100.00 6.44e-57 . . . . 19961 2 39 no TPG DAA22297 . "TPA: small ubiquitin-related modifier 3-like [Bos taurus]" . . . . . 97.78 104 97.73 100.00 2.22e-56 . . . . 19961 2 40 no TPG DAA33002 . "TPA: small ubiquitin-related modifier 3 precursor [Bos taurus]" . . . . . 98.89 104 100.00 100.00 3.49e-58 . . . . 19961 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 . GLY . 19961 2 2 . SER . 19961 2 3 . GLU . 19961 2 4 . GLU . 19961 2 5 . LYS . 19961 2 6 . PRO . 19961 2 7 . LYS . 19961 2 8 . GLU . 19961 2 9 . GLY . 19961 2 10 . VAL . 19961 2 11 . LYS . 19961 2 12 . THR . 19961 2 13 . GLU . 19961 2 14 . ASN . 19961 2 15 . ASP . 19961 2 16 . HIS . 19961 2 17 . ILE . 19961 2 18 . ASN . 19961 2 19 . LEU . 19961 2 20 . LYS . 19961 2 21 . VAL . 19961 2 22 . ALA . 19961 2 23 . GLY . 19961 2 24 . GLN . 19961 2 25 . ASP . 19961 2 26 . GLY . 19961 2 27 . SER . 19961 2 28 . VAL . 19961 2 29 . VAL . 19961 2 30 . GLN . 19961 2 31 . PHE . 19961 2 32 . LYS . 19961 2 33 . ILE . 19961 2 34 . LYS . 19961 2 35 . ARG . 19961 2 36 . HIS . 19961 2 37 . THR . 19961 2 38 . PRO . 19961 2 39 . LEU . 19961 2 40 . SER . 19961 2 41 . LYS . 19961 2 42 . LEU . 19961 2 43 . MET . 19961 2 44 . LYS . 19961 2 45 . ALA . 19961 2 46 . TYR . 19961 2 47 . CYS . 19961 2 48 . GLU . 19961 2 49 . ARG . 19961 2 50 . GLN . 19961 2 51 . GLY . 19961 2 52 . LEU . 19961 2 53 . SER . 19961 2 54 . MET . 19961 2 55 . ARG . 19961 2 56 . GLN . 19961 2 57 . ILE . 19961 2 58 . ARG . 19961 2 59 . PHE . 19961 2 60 . ARG . 19961 2 61 . PHE . 19961 2 62 . ASP . 19961 2 63 . GLY . 19961 2 64 . GLN . 19961 2 65 . PRO . 19961 2 66 . ILE . 19961 2 67 . ASN . 19961 2 68 . GLU . 19961 2 69 . THR . 19961 2 70 . ASP . 19961 2 71 . THR . 19961 2 72 . PRO . 19961 2 73 . ALA . 19961 2 74 . GLN . 19961 2 75 . LEU . 19961 2 76 . GLU . 19961 2 77 . MET . 19961 2 78 . GLU . 19961 2 79 . ASP . 19961 2 80 . GLU . 19961 2 81 . ASP . 19961 2 82 . THR . 19961 2 83 . ILE . 19961 2 84 . ASP . 19961 2 85 . VAL . 19961 2 86 . PHE . 19961 2 87 . GLN . 19961 2 88 . GLN . 19961 2 89 . GLN . 19961 2 90 . THR . 19961 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 . GLY 1 1 19961 2 . SER 2 2 19961 2 . GLU 3 3 19961 2 . GLU 4 4 19961 2 . LYS 5 5 19961 2 . PRO 6 6 19961 2 . LYS 7 7 19961 2 . GLU 8 8 19961 2 . GLY 9 9 19961 2 . VAL 10 10 19961 2 . LYS 11 11 19961 2 . THR 12 12 19961 2 . GLU 13 13 19961 2 . ASN 14 14 19961 2 . ASP 15 15 19961 2 . HIS 16 16 19961 2 . ILE 17 17 19961 2 . ASN 18 18 19961 2 . LEU 19 19 19961 2 . LYS 20 20 19961 2 . VAL 21 21 19961 2 . ALA 22 22 19961 2 . GLY 23 23 19961 2 . GLN 24 24 19961 2 . ASP 25 25 19961 2 . GLY 26 26 19961 2 . SER 27 27 19961 2 . VAL 28 28 19961 2 . VAL 29 29 19961 2 . GLN 30 30 19961 2 . PHE 31 31 19961 2 . LYS 32 32 19961 2 . ILE 33 33 19961 2 . LYS 34 34 19961 2 . ARG 35 35 19961 2 . HIS 36 36 19961 2 . THR 37 37 19961 2 . PRO 38 38 19961 2 . LEU 39 39 19961 2 . SER 40 40 19961 2 . LYS 41 41 19961 2 . LEU 42 42 19961 2 . MET 43 43 19961 2 . LYS 44 44 19961 2 . ALA 45 45 19961 2 . TYR 46 46 19961 2 . CYS 47 47 19961 2 . GLU 48 48 19961 2 . ARG 49 49 19961 2 . GLN 50 50 19961 2 . GLY 51 51 19961 2 . LEU 52 52 19961 2 . SER 53 53 19961 2 . MET 54 54 19961 2 . ARG 55 55 19961 2 . GLN 56 56 19961 2 . ILE 57 57 19961 2 . ARG 58 58 19961 2 . PHE 59 59 19961 2 . ARG 60 60 19961 2 . PHE 61 61 19961 2 . ASP 62 62 19961 2 . GLY 63 63 19961 2 . GLN 64 64 19961 2 . PRO 65 65 19961 2 . ILE 66 66 19961 2 . ASN 67 67 19961 2 . GLU 68 68 19961 2 . THR 69 69 19961 2 . ASP 70 70 19961 2 . THR 71 71 19961 2 . PRO 72 72 19961 2 . ALA 73 73 19961 2 . GLN 74 74 19961 2 . LEU 75 75 19961 2 . GLU 76 76 19961 2 . MET 77 77 19961 2 . GLU 78 78 19961 2 . ASP 79 79 19961 2 . GLU 80 80 19961 2 . ASP 81 81 19961 2 . THR 82 82 19961 2 . ILE 83 83 19961 2 . ASP 84 84 19961 2 . VAL 85 85 19961 2 . PHE 86 86 19961 2 . GLN 87 87 19961 2 . GLN 88 88 19961 2 . GLN 89 89 19961 2 . THR 90 90 19961 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 19961 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TVGDEIVDLTCESLEPVVVD LTHND ; _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 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2713.963 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 2MP2 . "Solution Structure Of Sumo Dimer In Complex With Sim2-3 From Rnf4" . . . . . 100.00 25 100.00 100.00 6.71e-07 . . . . 19961 3 2 no DBJ BAB31585 . "unnamed protein product [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 3 no DBJ BAC41119 . "unnamed protein product [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 4 no DBJ BAE26531 . "unnamed protein product [Mus musculus]" . . . . . 100.00 202 100.00 100.00 8.30e-07 . . . . 19961 3 5 no DBJ BAE27641 . "unnamed protein product [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 6 no DBJ BAE30125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 7 no GB AAC35248 . "small nuclear RING finger protein [Rattus norvegicus]" . . . . . 100.00 194 100.00 100.00 5.77e-07 . . . . 19961 3 8 no GB AAC53539 . "Rnf4 [Mus musculus]" . . . . . 100.00 163 100.00 100.00 6.87e-07 . . . . 19961 3 9 no GB AAF00620 . "ring finger protein 4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 10 no GB AAH03282 . "Ring finger protein 4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 11 no GB AAH62024 . "Rnf4 protein [Rattus norvegicus]" . . . . . 100.00 194 100.00 100.00 5.77e-07 . . . . 19961 3 12 no REF NP_001291198 . "E3 ubiquitin-protein ligase RNF4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 13 no REF NP_001291199 . "E3 ubiquitin-protein ligase RNF4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 14 no REF NP_035408 . "E3 ubiquitin-protein ligase RNF4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 15 no REF NP_062055 . "E3 ubiquitin-protein ligase RNF4 [Rattus norvegicus]" . . . . . 100.00 194 100.00 100.00 5.77e-07 . . . . 19961 3 16 no REF XP_006503868 . "PREDICTED: E3 ubiquitin-protein ligase RNF4 isoform X3 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 17 no SP O88846 . "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4; AltName: Full=Small nuclear ring finger pr" . . . . . 100.00 194 100.00 100.00 5.77e-07 . . . . 19961 3 18 no SP Q9QZS2 . "RecName: Full=E3 ubiquitin-protein ligase RNF4; AltName: Full=RING finger protein 4 [Mus musculus]" . . . . . 100.00 194 100.00 100.00 6.27e-07 . . . . 19961 3 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 . THR . 19961 3 2 . VAL . 19961 3 3 . GLY . 19961 3 4 . ASP . 19961 3 5 . GLU . 19961 3 6 . ILE . 19961 3 7 . VAL . 19961 3 8 . ASP . 19961 3 9 . LEU . 19961 3 10 . THR . 19961 3 11 . CYS . 19961 3 12 . GLU . 19961 3 13 . SER . 19961 3 14 . LEU . 19961 3 15 . GLU . 19961 3 16 . PRO . 19961 3 17 . VAL . 19961 3 18 . VAL . 19961 3 19 . VAL . 19961 3 20 . ASP . 19961 3 21 . LEU . 19961 3 22 . THR . 19961 3 23 . HIS . 19961 3 24 . ASN . 19961 3 25 . ASP . 19961 3 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 . THR 1 1 19961 3 . VAL 2 2 19961 3 . GLY 3 3 19961 3 . ASP 4 4 19961 3 . GLU 5 5 19961 3 . ILE 6 6 19961 3 . VAL 7 7 19961 3 . ASP 8 8 19961 3 . LEU 9 9 19961 3 . THR 10 10 19961 3 . CYS 11 11 19961 3 . GLU 12 12 19961 3 . SER 13 13 19961 3 . LEU 14 14 19961 3 . GLU 15 15 19961 3 . PRO 16 16 19961 3 . VAL 17 17 19961 3 . VAL 18 18 19961 3 . VAL 19 19 19961 3 . ASP 20 20 19961 3 . LEU 21 21 19961 3 . THR 22 22 19961 3 . HIS 23 23 19961 3 . ASN 24 24 19961 3 . ASP 25 25 19961 3 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 19961 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19961 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19961 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19961 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 19961 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pHIS-TEV-30a . . . . . . 19961 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pHIS-TEV-30a . . . . . . 19961 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19961 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 19961 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.3 . . mM . . . . 19961 1 3 entity_3 'natural abundance' . . 3 $entity_3 . . 1.0 . . mM . . . . 19961 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19961 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 0.3 . . mM . . . . 19961 2 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.3 . . mM . . . . 19961 2 3 entity_3 'natural abundance' . . 3 $entity_3 . . 1.0 . . mM . . . . 19961 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19961 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 19961 3 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.3 . . mM . . . . 19961 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19961 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the two SUMO chains are linked through an isopeptide bond' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 0.3 . . mM . . . . 19961 4 2 entity_2 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.3 . . mM . . . . 19961 4 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 19961 _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 temperature 303 . K 19961 1 pH 7.0 . pH 19961 1 pressure 1 . atm 19961 1 'ionic strength' 0.1 . M 19961 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19961 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19961 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19961 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19961 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19961 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19961 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19961 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19961 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19961 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19961 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19961 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19961 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19961 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19961 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19961 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19961 _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 DRX . 600 . . . 19961 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 19961 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19961 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 19961 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19961 1 C 13 na carbon . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 19961 1 N 15 na nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19961 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 19961 _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 3 '2D 1H-15N HSQC' . . . 19961 1 5 '3D HNCACB' . . . 19961 1 6 '3D CBCA(CO)NH' . . . 19961 1 7 '3D HCCH-TOCSY' . . . 19961 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 . 2 2 1 1 GLY CA C 13 43.440 0.000 . 1 . . . B 1 GLY CA . 19961 1 2 . 2 2 2 2 SER HA H 1 4.546 0.000 . 1 . . . B 2 SER HA . 19961 1 3 . 2 2 2 2 SER C C 13 174.463 0.000 . 1 . . . B 2 SER C . 19961 1 4 . 2 2 2 2 SER CA C 13 58.692 0.000 . 1 . . . B 2 SER CA . 19961 1 5 . 2 2 2 2 SER CB C 13 63.482 0.000 . 1 . . . B 2 SER CB . 19961 1 6 . 2 2 3 3 GLU H H 1 8.745 0.000 . 1 . . . B 3 GLU H . 19961 1 7 . 2 2 3 3 GLU HA H 1 4.359 0.000 . 1 . . . B 3 GLU HA . 19961 1 8 . 2 2 3 3 GLU HB2 H 1 2.105 0.000 . 2 . . . B 3 GLU HB2 . 19961 1 9 . 2 2 3 3 GLU HB3 H 1 1.977 0.000 . 2 . . . B 3 GLU HB3 . 19961 1 10 . 2 2 3 3 GLU HG2 H 1 2.304 0.000 . 2 . . . B 3 GLU HG2 . 19961 1 11 . 2 2 3 3 GLU HG3 H 1 2.267 0.000 . 2 . . . B 3 GLU HG3 . 19961 1 12 . 2 2 3 3 GLU C C 13 176.222 0.000 . 1 . . . B 3 GLU C . 19961 1 13 . 2 2 3 3 GLU CA C 13 56.680 0.000 . 1 . . . B 3 GLU CA . 19961 1 14 . 2 2 3 3 GLU CB C 13 29.876 0.000 . 1 . . . B 3 GLU CB . 19961 1 15 . 2 2 3 3 GLU CG C 13 36.312 0.000 . 1 . . . B 3 GLU CG . 19961 1 16 . 2 2 3 3 GLU N N 15 122.768 0.000 . 1 . . . B 3 GLU N . 19961 1 17 . 2 2 4 4 GLU H H 1 8.341 0.000 . 1 . . . B 4 GLU H . 19961 1 18 . 2 2 4 4 GLU HA H 1 4.339 0.000 . 1 . . . B 4 GLU HA . 19961 1 19 . 2 2 4 4 GLU HB2 H 1 2.085 0.000 . 2 . . . B 4 GLU HB2 . 19961 1 20 . 2 2 4 4 GLU HB3 H 1 1.976 0.000 . 2 . . . B 4 GLU HB3 . 19961 1 21 . 2 2 4 4 GLU HG2 H 1 2.261 0.000 . 2 . . . B 4 GLU HG2 . 19961 1 22 . 2 2 4 4 GLU HG3 H 1 2.308 0.000 . 2 . . . B 4 GLU HG3 . 19961 1 23 . 2 2 4 4 GLU C C 13 176.122 0.000 . 1 . . . B 4 GLU C . 19961 1 24 . 2 2 4 4 GLU CA C 13 56.628 0.000 . 1 . . . B 4 GLU CA . 19961 1 25 . 2 2 4 4 GLU CB C 13 30.171 0.000 . 1 . . . B 4 GLU CB . 19961 1 26 . 2 2 4 4 GLU CG C 13 36.403 0.000 . 1 . . . B 4 GLU CG . 19961 1 27 . 2 2 4 4 GLU N N 15 122.107 0.000 . 1 . . . B 4 GLU N . 19961 1 28 . 2 2 5 5 LYS H H 1 8.310 0.000 . 1 . . . B 5 LYS H . 19961 1 29 . 2 2 5 5 LYS HA H 1 4.646 0.000 . 1 . . . B 5 LYS HA . 19961 1 30 . 2 2 5 5 LYS HB2 H 1 1.767 0.000 . 2 . . . B 5 LYS HB2 . 19961 1 31 . 2 2 5 5 LYS HB3 H 1 1.868 0.000 . 2 . . . B 5 LYS HB3 . 19961 1 32 . 2 2 5 5 LYS HG2 H 1 1.490 0.000 . 2 . . . B 5 LYS HG2 . 19961 1 33 . 2 2 5 5 LYS HG3 H 1 1.536 0.000 . 2 . . . B 5 LYS HG3 . 19961 1 34 . 2 2 5 5 LYS HD2 H 1 1.754 0.000 . 2 . . . B 5 LYS HD2 . 19961 1 35 . 2 2 5 5 LYS HD3 H 1 1.719 0.000 . 2 . . . B 5 LYS HD3 . 19961 1 36 . 2 2 5 5 LYS HE2 H 1 3.064 0.000 . 2 . . . B 5 LYS HE2 . 19961 1 37 . 2 2 5 5 LYS HE3 H 1 3.035 0.000 . 2 . . . B 5 LYS HE3 . 19961 1 38 . 2 2 5 5 LYS C C 13 174.480 0.000 . 1 . . . B 5 LYS C . 19961 1 39 . 2 2 5 5 LYS CA C 13 54.397 0.000 . 1 . . . B 5 LYS CA . 19961 1 40 . 2 2 5 5 LYS CB C 13 32.576 0.000 . 1 . . . B 5 LYS CB . 19961 1 41 . 2 2 5 5 LYS CG C 13 24.553 0.000 . 1 . . . B 5 LYS CG . 19961 1 42 . 2 2 5 5 LYS CD C 13 29.104 0.000 . 1 . . . B 5 LYS CD . 19961 1 43 . 2 2 5 5 LYS CE C 13 42.030 0.000 . 1 . . . B 5 LYS CE . 19961 1 44 . 2 2 5 5 LYS N N 15 123.917 0.000 . 1 . . . B 5 LYS N . 19961 1 45 . 2 2 6 6 PRO HA H 1 4.477 0.000 . 1 . . . B 6 PRO HA . 19961 1 46 . 2 2 6 6 PRO HB2 H 1 2.351 0.000 . 2 . . . B 6 PRO HB2 . 19961 1 47 . 2 2 6 6 PRO HB3 H 1 1.927 0.000 . 2 . . . B 6 PRO HB3 . 19961 1 48 . 2 2 6 6 PRO HG2 H 1 2.065 0.000 . 2 . . . B 6 PRO HG2 . 19961 1 49 . 2 2 6 6 PRO HG3 H 1 2.027 0.000 . 2 . . . B 6 PRO HG3 . 19961 1 50 . 2 2 6 6 PRO HD2 H 1 3.850 0.000 . 2 . . . B 6 PRO HD2 . 19961 1 51 . 2 2 6 6 PRO HD3 H 1 3.659 0.000 . 2 . . . B 6 PRO HD3 . 19961 1 52 . 2 2 6 6 PRO C C 13 176.966 0.000 . 1 . . . B 6 PRO C . 19961 1 53 . 2 2 6 6 PRO CA C 13 63.114 0.000 . 1 . . . B 6 PRO CA . 19961 1 54 . 2 2 6 6 PRO CB C 13 32.898 0.000 . 1 . . . B 6 PRO CB . 19961 1 55 . 2 2 6 6 PRO CG C 13 27.471 0.000 . 1 . . . B 6 PRO CG . 19961 1 56 . 2 2 6 6 PRO CD C 13 50.773 0.000 . 1 . . . B 6 PRO CD . 19961 1 57 . 2 2 7 7 LYS H H 1 8.460 0.000 . 1 . . . B 7 LYS H . 19961 1 58 . 2 2 7 7 LYS HA H 1 4.319 0.000 . 1 . . . B 7 LYS HA . 19961 1 59 . 2 2 7 7 LYS HB2 H 1 1.860 0.000 . 2 . . . B 7 LYS HB2 . 19961 1 60 . 2 2 7 7 LYS HB3 H 1 1.794 0.000 . 2 . . . B 7 LYS HB3 . 19961 1 61 . 2 2 7 7 LYS HG2 H 1 1.493 0.000 . 2 . . . B 7 LYS HG2 . 19961 1 62 . 2 2 7 7 LYS HG3 H 1 1.531 0.000 . 2 . . . B 7 LYS HG3 . 19961 1 63 . 2 2 7 7 LYS HD2 H 1 1.733 0.000 . 1 . . . B 7 LYS HD2 . 19961 1 64 . 2 2 7 7 LYS HD3 H 1 1.733 0.000 . 1 . . . B 7 LYS HD3 . 19961 1 65 . 2 2 7 7 LYS HE2 H 1 3.043 0.000 . 1 . . . B 7 LYS HE2 . 19961 1 66 . 2 2 7 7 LYS HE3 H 1 3.043 0.000 . 1 . . . B 7 LYS HE3 . 19961 1 67 . 2 2 7 7 LYS C C 13 176.622 0.000 . 1 . . . B 7 LYS C . 19961 1 68 . 2 2 7 7 LYS CA C 13 56.628 0.000 . 1 . . . B 7 LYS CA . 19961 1 69 . 2 2 7 7 LYS CB C 13 33.113 0.000 . 1 . . . B 7 LYS CB . 19961 1 70 . 2 2 7 7 LYS CG C 13 24.979 0.000 . 1 . . . B 7 LYS CG . 19961 1 71 . 2 2 7 7 LYS CD C 13 29.275 0.000 . 1 . . . B 7 LYS CD . 19961 1 72 . 2 2 7 7 LYS CE C 13 42.344 0.000 . 1 . . . B 7 LYS CE . 19961 1 73 . 2 2 7 7 LYS N N 15 122.152 0.000 . 1 . . . B 7 LYS N . 19961 1 74 . 2 2 8 8 GLU H H 1 8.430 0.000 . 1 . . . B 8 GLU H . 19961 1 75 . 2 2 8 8 GLU HA H 1 4.359 0.000 . 1 . . . B 8 GLU HA . 19961 1 76 . 2 2 8 8 GLU HB2 H 1 2.099 0.000 . 2 . . . B 8 GLU HB2 . 19961 1 77 . 2 2 8 8 GLU HB3 H 1 1.977 0.000 . 2 . . . B 8 GLU HB3 . 19961 1 78 . 2 2 8 8 GLU HG2 H 1 2.304 0.000 . 2 . . . B 8 GLU HG2 . 19961 1 79 . 2 2 8 8 GLU HG3 H 1 2.263 0.000 . 2 . . . B 8 GLU HG3 . 19961 1 80 . 2 2 8 8 GLU C C 13 176.883 0.000 . 1 . . . B 8 GLU C . 19961 1 81 . 2 2 8 8 GLU CA C 13 56.849 0.000 . 1 . . . B 8 GLU CA . 19961 1 82 . 2 2 8 8 GLU CB C 13 30.392 0.000 . 1 . . . B 8 GLU CB . 19961 1 83 . 2 2 8 8 GLU CG C 13 36.403 0.000 . 1 . . . B 8 GLU CG . 19961 1 84 . 2 2 8 8 GLU N N 15 121.879 0.000 . 1 . . . B 8 GLU N . 19961 1 85 . 2 2 9 9 GLY H H 1 8.434 0.000 . 1 . . . B 9 GLY H . 19961 1 86 . 2 2 9 9 GLY HA2 H 1 4.073 0.000 . 2 . . . B 9 GLY HA2 . 19961 1 87 . 2 2 9 9 GLY HA3 H 1 3.965 0.000 . 2 . . . B 9 GLY HA3 . 19961 1 88 . 2 2 9 9 GLY C C 13 174.019 0.000 . 1 . . . B 9 GLY C . 19961 1 89 . 2 2 9 9 GLY CA C 13 45.426 0.000 . 1 . . . B 9 GLY CA . 19961 1 90 . 2 2 9 9 GLY N N 15 110.130 0.000 . 1 . . . B 9 GLY N . 19961 1 91 . 2 2 10 10 VAL H H 1 7.917 0.000 . 1 . . . B 10 VAL H . 19961 1 92 . 2 2 10 10 VAL HA H 1 4.201 0.000 . 1 . . . B 10 VAL HA . 19961 1 93 . 2 2 10 10 VAL HB H 1 2.114 0.000 . 1 . . . B 10 VAL HB . 19961 1 94 . 2 2 10 10 VAL HG11 H 1 0.958 0.000 . 2 . . . B 10 VAL HG11 . 19961 1 95 . 2 2 10 10 VAL HG12 H 1 0.958 0.000 . 2 . . . B 10 VAL HG12 . 19961 1 96 . 2 2 10 10 VAL HG13 H 1 0.958 0.000 . 2 . . . B 10 VAL HG13 . 19961 1 97 . 2 2 10 10 VAL HG21 H 1 0.933 0.000 . 2 . . . B 10 VAL HG21 . 19961 1 98 . 2 2 10 10 VAL HG22 H 1 0.933 0.000 . 2 . . . B 10 VAL HG22 . 19961 1 99 . 2 2 10 10 VAL HG23 H 1 0.933 0.000 . 2 . . . B 10 VAL HG23 . 19961 1 100 . 2 2 10 10 VAL C C 13 176.142 0.000 . 1 . . . B 10 VAL C . 19961 1 101 . 2 2 10 10 VAL CA C 13 61.713 0.000 . 1 . . . B 10 VAL CA . 19961 1 102 . 2 2 10 10 VAL CB C 13 32.677 0.000 . 1 . . . B 10 VAL CB . 19961 1 103 . 2 2 10 10 VAL CG1 C 13 21.142 0.000 . 2 . . . B 10 VAL CG1 . 19961 1 104 . 2 2 10 10 VAL CG2 C 13 20.509 0.000 . 2 . . . B 10 VAL CG2 . 19961 1 105 . 2 2 10 10 VAL N N 15 118.971 0.000 . 1 . . . B 10 VAL N . 19961 1 106 . 2 2 11 11 LYS H H 1 8.410 0.000 . 1 . . . B 11 LYS H . 19961 1 107 . 2 2 11 11 LYS HA H 1 4.418 0.000 . 1 . . . B 11 LYS HA . 19961 1 108 . 2 2 11 11 LYS HB2 H 1 1.849 0.000 . 2 . . . B 11 LYS HB2 . 19961 1 109 . 2 2 11 11 LYS HB3 H 1 1.770 0.000 . 2 . . . B 11 LYS HB3 . 19961 1 110 . 2 2 11 11 LYS HG2 H 1 1.415 0.000 . 2 . . . B 11 LYS HG2 . 19961 1 111 . 2 2 11 11 LYS HG3 H 1 1.345 0.000 . 2 . . . B 11 LYS HG3 . 19961 1 112 . 2 2 11 11 LYS HD2 H 1 1.526 0.000 . 1 . . . B 11 LYS HD2 . 19961 1 113 . 2 2 11 11 LYS HD3 H 1 1.526 0.000 . 1 . . . B 11 LYS HD3 . 19961 1 114 . 2 2 11 11 LYS HE2 H 1 3.206 0.000 . 1 . . . B 11 LYS HE2 . 19961 1 115 . 2 2 11 11 LYS HE3 H 1 3.206 0.000 . 1 . . . B 11 LYS HE3 . 19961 1 116 . 2 2 11 11 LYS C C 13 176.903 0.000 . 1 . . . B 11 LYS C . 19961 1 117 . 2 2 11 11 LYS CA C 13 56.849 0.000 . 1 . . . B 11 LYS CA . 19961 1 118 . 2 2 11 11 LYS CB C 13 33.193 0.000 . 1 . . . B 11 LYS CB . 19961 1 119 . 2 2 11 11 LYS CG C 13 25.254 0.000 . 1 . . . B 11 LYS CG . 19961 1 120 . 2 2 11 11 LYS CD C 13 30.737 0.000 . 1 . . . B 11 LYS CD . 19961 1 121 . 2 2 11 11 LYS CE C 13 41.795 0.000 . 1 . . . B 11 LYS CE . 19961 1 122 . 2 2 11 11 LYS N N 15 125.201 0.000 . 1 . . . B 11 LYS N . 19961 1 123 . 2 2 12 12 THR H H 1 8.137 0.000 . 1 . . . B 12 THR H . 19961 1 124 . 2 2 12 12 THR HA H 1 4.388 0.000 . 1 . . . B 12 THR HA . 19961 1 125 . 2 2 12 12 THR HB H 1 4.300 0.000 . 1 . . . B 12 THR HB . 19961 1 126 . 2 2 12 12 THR HG21 H 1 1.222 0.000 . 1 . . . B 12 THR HG21 . 19961 1 127 . 2 2 12 12 THR HG22 H 1 1.222 0.000 . 1 . . . B 12 THR HG22 . 19961 1 128 . 2 2 12 12 THR HG23 H 1 1.222 0.000 . 1 . . . B 12 THR HG23 . 19961 1 129 . 2 2 12 12 THR C C 13 174.560 0.000 . 1 . . . B 12 THR C . 19961 1 130 . 2 2 12 12 THR CA C 13 61.861 0.000 . 1 . . . B 12 THR CA . 19961 1 131 . 2 2 12 12 THR CB C 13 69.894 0.000 . 1 . . . B 12 THR CB . 19961 1 132 . 2 2 12 12 THR CG2 C 13 21.598 0.000 . 1 . . . B 12 THR CG2 . 19961 1 133 . 2 2 12 12 THR N N 15 115.156 0.000 . 1 . . . B 12 THR N . 19961 1 134 . 2 2 13 13 GLU H H 1 8.476 0.000 . 1 . . . B 13 GLU H . 19961 1 135 . 2 2 13 13 GLU HA H 1 4.359 0.000 . 1 . . . B 13 GLU HA . 19961 1 136 . 2 2 13 13 GLU HB2 H 1 2.105 0.000 . 2 . . . B 13 GLU HB2 . 19961 1 137 . 2 2 13 13 GLU HB3 H 1 1.977 0.000 . 2 . . . B 13 GLU HB3 . 19961 1 138 . 2 2 13 13 GLU HG2 H 1 2.301 0.000 . 2 . . . B 13 GLU HG2 . 19961 1 139 . 2 2 13 13 GLU HG3 H 1 2.268 0.000 . 2 . . . B 13 GLU HG3 . 19961 1 140 . 2 2 13 13 GLU C C 13 176.142 0.000 . 1 . . . B 13 GLU C . 19961 1 141 . 2 2 13 13 GLU CA C 13 56.923 0.000 . 1 . . . B 13 GLU CA . 19961 1 142 . 2 2 13 13 GLU CB C 13 30.245 0.000 . 1 . . . B 13 GLU CB . 19961 1 143 . 2 2 13 13 GLU CG C 13 36.403 0.000 . 1 . . . B 13 GLU CG . 19961 1 144 . 2 2 13 13 GLU N N 15 122.933 0.000 . 1 . . . B 13 GLU N . 19961 1 145 . 2 2 14 14 ASN H H 1 8.528 0.000 . 1 . . . B 14 ASN H . 19961 1 146 . 2 2 14 14 ASN HA H 1 4.900 0.000 . 1 . . . B 14 ASN HA . 19961 1 147 . 2 2 14 14 ASN HB2 H 1 2.941 0.000 . 2 . . . B 14 ASN HB2 . 19961 1 148 . 2 2 14 14 ASN HB3 H 1 2.764 0.000 . 2 . . . B 14 ASN HB3 . 19961 1 149 . 2 2 14 14 ASN HD21 H 1 7.608 0.000 . 1 . . . B 14 ASN HD21 . 19961 1 150 . 2 2 14 14 ASN HD22 H 1 6.834 0.000 . 1 . . . B 14 ASN HD22 . 19961 1 151 . 2 2 14 14 ASN C C 13 174.940 0.000 . 1 . . . B 14 ASN C . 19961 1 152 . 2 2 14 14 ASN CA C 13 53.238 0.000 . 1 . . . B 14 ASN CA . 19961 1 153 . 2 2 14 14 ASN CB C 13 39.015 0.000 . 1 . . . B 14 ASN CB . 19961 1 154 . 2 2 14 14 ASN N N 15 120.087 0.000 . 1 . . . B 14 ASN N . 19961 1 155 . 2 2 14 14 ASN ND2 N 15 112.494 0.000 . 1 . . . B 14 ASN ND2 . 19961 1 156 . 2 2 15 15 ASP H H 1 8.429 0.000 . 1 . . . B 15 ASP H . 19961 1 157 . 2 2 15 15 ASP HA H 1 4.703 0.000 . 1 . . . B 15 ASP HA . 19961 1 158 . 2 2 15 15 ASP HB2 H 1 2.735 0.000 . 2 . . . B 15 ASP HB2 . 19961 1 159 . 2 2 15 15 ASP HB3 H 1 2.695 0.000 . 2 . . . B 15 ASP HB3 . 19961 1 160 . 2 2 15 15 ASP C C 13 175.781 0.000 . 1 . . . B 15 ASP C . 19961 1 161 . 2 2 15 15 ASP CA C 13 54.344 0.000 . 1 . . . B 15 ASP CA . 19961 1 162 . 2 2 15 15 ASP CB C 13 41.226 0.000 . 1 . . . B 15 ASP CB . 19961 1 163 . 2 2 15 15 ASP N N 15 120.404 0.000 . 1 . . . B 15 ASP N . 19961 1 164 . 2 2 16 16 HIS H H 1 8.102 0.000 . 1 . . . B 16 HIS H . 19961 1 165 . 2 2 16 16 HIS HA H 1 4.989 0.000 . 1 . . . B 16 HIS HA . 19961 1 166 . 2 2 16 16 HIS HB2 H 1 2.961 0.000 . 2 . . . B 16 HIS HB2 . 19961 1 167 . 2 2 16 16 HIS HB3 H 1 2.843 0.000 . 2 . . . B 16 HIS HB3 . 19961 1 168 . 2 2 16 16 HIS HD1 H 1 6.610 0.000 . 1 . . . B 16 HIS HD1 . 19961 1 169 . 2 2 16 16 HIS HD2 H 1 6.610 0.000 . 1 . . . B 16 HIS HD2 . 19961 1 170 . 2 2 16 16 HIS C C 13 174.620 0.000 . 1 . . . B 16 HIS C . 19961 1 171 . 2 2 16 16 HIS CA C 13 56.923 0.000 . 1 . . . B 16 HIS CA . 19961 1 172 . 2 2 16 16 HIS CB C 13 32.308 0.000 . 1 . . . B 16 HIS CB . 19961 1 173 . 2 2 16 16 HIS CD2 C 13 122.639 0.000 . 1 . . . B 16 HIS CD2 . 19961 1 174 . 2 2 16 16 HIS N N 15 117.390 0.000 . 1 . . . B 16 HIS N . 19961 1 175 . 2 2 17 17 ILE H H 1 9.119 0.000 . 1 . . . B 17 ILE H . 19961 1 176 . 2 2 17 17 ILE HA H 1 4.684 0.000 . 1 . . . B 17 ILE HA . 19961 1 177 . 2 2 17 17 ILE HB H 1 1.671 0.000 . 1 . . . B 17 ILE HB . 19961 1 178 . 2 2 17 17 ILE HG12 H 1 0.918 0.000 . 2 . . . B 17 ILE HG12 . 19961 1 179 . 2 2 17 17 ILE HG13 H 1 1.398 0.000 . 2 . . . B 17 ILE HG13 . 19961 1 180 . 2 2 17 17 ILE HG21 H 1 0.768 0.000 . 1 . . . B 17 ILE HG21 . 19961 1 181 . 2 2 17 17 ILE HG22 H 1 0.768 0.000 . 1 . . . B 17 ILE HG22 . 19961 1 182 . 2 2 17 17 ILE HG23 H 1 0.768 0.000 . 1 . . . B 17 ILE HG23 . 19961 1 183 . 2 2 17 17 ILE HD11 H 1 0.526 0.000 . 1 . . . B 17 ILE HD11 . 19961 1 184 . 2 2 17 17 ILE HD12 H 1 0.526 0.000 . 1 . . . B 17 ILE HD12 . 19961 1 185 . 2 2 17 17 ILE HD13 H 1 0.526 0.000 . 1 . . . B 17 ILE HD13 . 19961 1 186 . 2 2 17 17 ILE C C 13 172.698 0.000 . 1 . . . B 17 ILE C . 19961 1 187 . 2 2 17 17 ILE CA C 13 60.018 0.000 . 1 . . . B 17 ILE CA . 19961 1 188 . 2 2 17 17 ILE CB C 13 42.257 0.000 . 1 . . . B 17 ILE CB . 19961 1 189 . 2 2 17 17 ILE CG1 C 13 26.646 0.000 . 1 . . . B 17 ILE CG1 . 19961 1 190 . 2 2 17 17 ILE CG2 C 13 17.028 0.000 . 1 . . . B 17 ILE CG2 . 19961 1 191 . 2 2 17 17 ILE CD1 C 13 14.561 0.000 . 1 . . . B 17 ILE CD1 . 19961 1 192 . 2 2 17 17 ILE N N 15 117.630 0.000 . 1 . . . B 17 ILE N . 19961 1 193 . 2 2 18 18 ASN H H 1 8.987 0.000 . 1 . . . B 18 ASN H . 19961 1 194 . 2 2 18 18 ASN HA H 1 5.520 0.000 . 1 . . . B 18 ASN HA . 19961 1 195 . 2 2 18 18 ASN HB2 H 1 2.764 0.000 . 2 . . . B 18 ASN HB2 . 19961 1 196 . 2 2 18 18 ASN HB3 H 1 2.567 0.000 . 2 . . . B 18 ASN HB3 . 19961 1 197 . 2 2 18 18 ASN HD21 H 1 8.060 0.000 . 1 . . . B 18 ASN HD21 . 19961 1 198 . 2 2 18 18 ASN HD22 H 1 6.760 0.000 . 1 . . . B 18 ASN HD22 . 19961 1 199 . 2 2 18 18 ASN C C 13 174.620 0.000 . 1 . . . B 18 ASN C . 19961 1 200 . 2 2 18 18 ASN CA C 13 52.428 0.000 . 1 . . . B 18 ASN CA . 19961 1 201 . 2 2 18 18 ASN CB C 13 40.562 0.000 . 1 . . . B 18 ASN CB . 19961 1 202 . 2 2 18 18 ASN N N 15 122.933 0.000 . 1 . . . B 18 ASN N . 19961 1 203 . 2 2 18 18 ASN ND2 N 15 114.470 0.000 . 1 . . . B 18 ASN ND2 . 19961 1 204 . 2 2 19 19 LEU H H 1 9.040 0.000 . 1 . . . B 19 LEU H . 19961 1 205 . 2 2 19 19 LEU HA H 1 5.146 0.000 . 1 . . . B 19 LEU HA . 19961 1 206 . 2 2 19 19 LEU HB2 H 1 1.465 0.000 . 2 . . . B 19 LEU HB2 . 19961 1 207 . 2 2 19 19 LEU HB3 H 1 1.258 0.000 . 2 . . . B 19 LEU HB3 . 19961 1 208 . 2 2 19 19 LEU HG H 1 1.457 0.000 . 1 . . . B 19 LEU HG . 19961 1 209 . 2 2 19 19 LEU HD11 H 1 0.682 0.000 . 2 . . . B 19 LEU HD11 . 19961 1 210 . 2 2 19 19 LEU HD12 H 1 0.682 0.000 . 2 . . . B 19 LEU HD12 . 19961 1 211 . 2 2 19 19 LEU HD13 H 1 0.682 0.000 . 2 . . . B 19 LEU HD13 . 19961 1 212 . 2 2 19 19 LEU HD21 H 1 0.887 0.000 . 2 . . . B 19 LEU HD21 . 19961 1 213 . 2 2 19 19 LEU HD22 H 1 0.887 0.000 . 2 . . . B 19 LEU HD22 . 19961 1 214 . 2 2 19 19 LEU HD23 H 1 0.887 0.000 . 2 . . . B 19 LEU HD23 . 19961 1 215 . 2 2 19 19 LEU C C 13 175.821 0.000 . 1 . . . B 19 LEU C . 19961 1 216 . 2 2 19 19 LEU CA C 13 53.017 0.000 . 1 . . . B 19 LEU CA . 19961 1 217 . 2 2 19 19 LEU CB C 13 46.900 0.000 . 1 . . . B 19 LEU CB . 19961 1 218 . 2 2 19 19 LEU CG C 13 26.776 0.000 . 1 . . . B 19 LEU CG . 19961 1 219 . 2 2 19 19 LEU CD1 C 13 26.485 0.000 . 2 . . . B 19 LEU CD1 . 19961 1 220 . 2 2 19 19 LEU CD2 C 13 24.391 0.000 . 2 . . . B 19 LEU CD2 . 19961 1 221 . 2 2 19 19 LEU N N 15 123.398 0.000 . 1 . . . B 19 LEU N . 19961 1 222 . 2 2 20 20 LYS H H 1 8.652 0.000 . 1 . . . B 20 LYS H . 19961 1 223 . 2 2 20 20 LYS HA H 1 4.975 0.000 . 1 . . . B 20 LYS HA . 19961 1 224 . 2 2 20 20 LYS HB2 H 1 1.965 0.000 . 2 . . . B 20 LYS HB2 . 19961 1 225 . 2 2 20 20 LYS HB3 H 1 1.591 0.000 . 2 . . . B 20 LYS HB3 . 19961 1 226 . 2 2 20 20 LYS HG2 H 1 1.332 0.000 . 2 . . . B 20 LYS HG2 . 19961 1 227 . 2 2 20 20 LYS HG3 H 1 1.282 0.000 . 2 . . . B 20 LYS HG3 . 19961 1 228 . 2 2 20 20 LYS HD2 H 1 1.639 0.000 . 2 . . . B 20 LYS HD2 . 19961 1 229 . 2 2 20 20 LYS HD3 H 1 1.643 0.000 . 2 . . . B 20 LYS HD3 . 19961 1 230 . 2 2 20 20 LYS HE2 H 1 2.940 0.000 . 2 . . . B 20 LYS HE2 . 19961 1 231 . 2 2 20 20 LYS HE3 H 1 2.912 0.000 . 2 . . . B 20 LYS HE3 . 19961 1 232 . 2 2 20 20 LYS C C 13 175.181 0.000 . 1 . . . B 20 LYS C . 19961 1 233 . 2 2 20 20 LYS CA C 13 55.302 0.000 . 1 . . . B 20 LYS CA . 19961 1 234 . 2 2 20 20 LYS CB C 13 34.740 0.000 . 1 . . . B 20 LYS CB . 19961 1 235 . 2 2 20 20 LYS CG C 13 25.985 0.000 . 1 . . . B 20 LYS CG . 19961 1 236 . 2 2 20 20 LYS CD C 13 29.275 0.000 . 1 . . . B 20 LYS CD . 19961 1 237 . 2 2 20 20 LYS CE C 13 42.144 0.000 . 1 . . . B 20 LYS CE . 19961 1 238 . 2 2 20 20 LYS N N 15 120.336 0.000 . 1 . . . B 20 LYS N . 19961 1 239 . 2 2 21 21 VAL H H 1 9.168 0.000 . 1 . . . B 21 VAL H . 19961 1 240 . 2 2 21 21 VAL HA H 1 4.959 0.000 . 1 . . . B 21 VAL HA . 19961 1 241 . 2 2 21 21 VAL HB H 1 2.075 0.000 . 1 . . . B 21 VAL HB . 19961 1 242 . 2 2 21 21 VAL HG11 H 1 0.124 0.000 . 2 . . . B 21 VAL HG11 . 19961 1 243 . 2 2 21 21 VAL HG12 H 1 0.124 0.000 . 2 . . . B 21 VAL HG12 . 19961 1 244 . 2 2 21 21 VAL HG13 H 1 0.124 0.000 . 2 . . . B 21 VAL HG13 . 19961 1 245 . 2 2 21 21 VAL HG21 H 1 0.795 0.000 . 2 . . . B 21 VAL HG21 . 19961 1 246 . 2 2 21 21 VAL HG22 H 1 0.795 0.000 . 2 . . . B 21 VAL HG22 . 19961 1 247 . 2 2 21 21 VAL HG23 H 1 0.795 0.000 . 2 . . . B 21 VAL HG23 . 19961 1 248 . 2 2 21 21 VAL C C 13 175.381 0.000 . 1 . . . B 21 VAL C . 19961 1 249 . 2 2 21 21 VAL CA C 13 61.419 0.000 . 1 . . . B 21 VAL CA . 19961 1 250 . 2 2 21 21 VAL CB C 13 32.603 0.000 . 1 . . . B 21 VAL CB . 19961 1 251 . 2 2 21 21 VAL CG1 C 13 22.420 0.000 . 2 . . . B 21 VAL CG1 . 19961 1 252 . 2 2 21 21 VAL CG2 C 13 21.781 0.000 . 2 . . . B 21 VAL CG2 . 19961 1 253 . 2 2 21 21 VAL N N 15 121.649 0.000 . 1 . . . B 21 VAL N . 19961 1 254 . 2 2 22 22 ALA H H 1 9.283 0.000 . 1 . . . B 22 ALA H . 19961 1 255 . 2 2 22 22 ALA HA H 1 5.333 0.000 . 1 . . . B 22 ALA HA . 19961 1 256 . 2 2 22 22 ALA HB1 H 1 1.465 0.000 . 1 . . . B 22 ALA HB1 . 19961 1 257 . 2 2 22 22 ALA HB2 H 1 1.465 0.000 . 1 . . . B 22 ALA HB2 . 19961 1 258 . 2 2 22 22 ALA HB3 H 1 1.465 0.000 . 1 . . . B 22 ALA HB3 . 19961 1 259 . 2 2 22 22 ALA C C 13 176.943 0.000 . 1 . . . B 22 ALA C . 19961 1 260 . 2 2 22 22 ALA CA C 13 51.027 0.000 . 1 . . . B 22 ALA CA . 19961 1 261 . 2 2 22 22 ALA CB C 13 21.254 0.000 . 1 . . . B 22 ALA CB . 19961 1 262 . 2 2 22 22 ALA N N 15 109.870 0.000 . 1 . . . B 22 ALA N . 19961 1 263 . 2 2 23 23 GLY H H 1 8.641 0.000 . 1 . . . B 23 GLY H . 19961 1 264 . 2 2 23 23 GLY HA2 H 1 4.644 0.000 . 2 . . . B 23 GLY HA2 . 19961 1 265 . 2 2 23 23 GLY HA3 H 1 3.867 0.000 . 2 . . . B 23 GLY HA3 . 19961 1 266 . 2 2 23 23 GLY C C 13 175.982 0.000 . 1 . . . B 23 GLY C . 19961 1 267 . 2 2 23 23 GLY CA C 13 44.026 0.000 . 1 . . . B 23 GLY CA . 19961 1 268 . 2 2 23 23 GLY N N 15 109.761 0.000 . 1 . . . B 23 GLY N . 19961 1 269 . 2 2 24 24 GLN H H 1 8.962 0.000 . 1 . . . B 24 GLN H . 19961 1 270 . 2 2 24 24 GLN HA H 1 4.250 0.000 . 1 . . . B 24 GLN HA . 19961 1 271 . 2 2 24 24 GLN HB2 H 1 2.272 0.000 . 2 . . . B 24 GLN HB2 . 19961 1 272 . 2 2 24 24 GLN HB3 H 1 2.107 0.000 . 2 . . . B 24 GLN HB3 . 19961 1 273 . 2 2 24 24 GLN HG2 H 1 2.513 0.000 . 2 . . . B 24 GLN HG2 . 19961 1 274 . 2 2 24 24 GLN HG3 H 1 2.471 0.000 . 2 . . . B 24 GLN HG3 . 19961 1 275 . 2 2 24 24 GLN HE21 H 1 7.583 0.000 . 1 . . . B 24 GLN HE21 . 19961 1 276 . 2 2 24 24 GLN HE22 H 1 6.962 0.000 . 1 . . . B 24 GLN HE22 . 19961 1 277 . 2 2 24 24 GLN C C 13 175.962 0.000 . 1 . . . B 24 GLN C . 19961 1 278 . 2 2 24 24 GLN CA C 13 57.955 0.000 . 1 . . . B 24 GLN CA . 19961 1 279 . 2 2 24 24 GLN CB C 13 28.771 0.000 . 1 . . . B 24 GLN CB . 19961 1 280 . 2 2 24 24 GLN CG C 13 34.644 0.000 . 1 . . . B 24 GLN CG . 19961 1 281 . 2 2 24 24 GLN N N 15 120.686 0.000 . 1 . . . B 24 GLN N . 19961 1 282 . 2 2 24 24 GLN NE2 N 15 113.572 0.000 . 1 . . . B 24 GLN NE2 . 19961 1 283 . 2 2 25 25 ASP H H 1 8.323 0.000 . 1 . . . B 25 ASP H . 19961 1 284 . 2 2 25 25 ASP HA H 1 4.575 0.000 . 1 . . . B 25 ASP HA . 19961 1 285 . 2 2 25 25 ASP HB2 H 1 3.109 0.000 . 2 . . . B 25 ASP HB2 . 19961 1 286 . 2 2 25 25 ASP HB3 H 1 2.725 0.000 . 2 . . . B 25 ASP HB3 . 19961 1 287 . 2 2 25 25 ASP C C 13 176.883 0.000 . 1 . . . B 25 ASP C . 19961 1 288 . 2 2 25 25 ASP CA C 13 53.091 0.000 . 1 . . . B 25 ASP CA . 19961 1 289 . 2 2 25 25 ASP CB C 13 40.194 0.000 . 1 . . . B 25 ASP CB . 19961 1 290 . 2 2 25 25 ASP N N 15 116.929 0.000 . 1 . . . B 25 ASP N . 19961 1 291 . 2 2 26 26 GLY H H 1 7.913 0.000 . 1 . . . B 26 GLY H . 19961 1 292 . 2 2 26 26 GLY HA2 H 1 4.359 0.000 . 2 . . . B 26 GLY HA2 . 19961 1 293 . 2 2 26 26 GLY HA3 H 1 3.817 0.000 . 2 . . . B 26 GLY HA3 . 19961 1 294 . 2 2 26 26 GLY C C 13 174.380 0.000 . 1 . . . B 26 GLY C . 19961 1 295 . 2 2 26 26 GLY CA C 13 45.279 0.000 . 1 . . . B 26 GLY CA . 19961 1 296 . 2 2 26 26 GLY N N 15 108.253 0.000 . 1 . . . B 26 GLY N . 19961 1 297 . 2 2 27 27 SER H H 1 8.012 0.000 . 1 . . . B 27 SER H . 19961 1 298 . 2 2 27 27 SER HA H 1 4.408 0.000 . 1 . . . B 27 SER HA . 19961 1 299 . 2 2 27 27 SER HB2 H 1 3.995 0.000 . 2 . . . B 27 SER HB2 . 19961 1 300 . 2 2 27 27 SER HB3 H 1 3.935 0.000 . 2 . . . B 27 SER HB3 . 19961 1 301 . 2 2 27 27 SER C C 13 174.480 0.000 . 1 . . . B 27 SER C . 19961 1 302 . 2 2 27 27 SER CA C 13 58.471 0.000 . 1 . . . B 27 SER CA . 19961 1 303 . 2 2 27 27 SER CB C 13 64.293 0.000 . 1 . . . B 27 SER CB . 19961 1 304 . 2 2 27 27 SER N N 15 116.844 0.000 . 1 . . . B 27 SER N . 19961 1 305 . 2 2 28 28 VAL H H 1 8.523 0.000 . 1 . . . B 28 VAL H . 19961 1 306 . 2 2 28 28 VAL HA H 1 5.058 0.000 . 1 . . . B 28 VAL HA . 19961 1 307 . 2 2 28 28 VAL HB H 1 1.986 0.000 . 1 . . . B 28 VAL HB . 19961 1 308 . 2 2 28 28 VAL HG11 H 1 0.992 0.000 . 2 . . . B 28 VAL HG11 . 19961 1 309 . 2 2 28 28 VAL HG12 H 1 0.992 0.000 . 2 . . . B 28 VAL HG12 . 19961 1 310 . 2 2 28 28 VAL HG13 H 1 0.992 0.000 . 2 . . . B 28 VAL HG13 . 19961 1 311 . 2 2 28 28 VAL HG21 H 1 0.893 0.000 . 2 . . . B 28 VAL HG21 . 19961 1 312 . 2 2 28 28 VAL HG22 H 1 0.893 0.000 . 2 . . . B 28 VAL HG22 . 19961 1 313 . 2 2 28 28 VAL HG23 H 1 0.893 0.000 . 2 . . . B 28 VAL HG23 . 19961 1 314 . 2 2 28 28 VAL C C 13 175.501 0.000 . 1 . . . B 28 VAL C . 19961 1 315 . 2 2 28 28 VAL CA C 13 62.008 0.000 . 1 . . . B 28 VAL CA . 19961 1 316 . 2 2 28 28 VAL CB C 13 35.109 0.000 . 1 . . . B 28 VAL CB . 19961 1 317 . 2 2 28 28 VAL CG1 C 13 21.974 0.000 . 2 . . . B 28 VAL CG1 . 19961 1 318 . 2 2 28 28 VAL CG2 C 13 21.189 0.000 . 2 . . . B 28 VAL CG2 . 19961 1 319 . 2 2 28 28 VAL N N 15 122.467 0.000 . 1 . . . B 28 VAL N . 19961 1 320 . 2 2 29 29 VAL H H 1 8.635 0.000 . 1 . . . B 29 VAL H . 19961 1 321 . 2 2 29 29 VAL HA H 1 4.400 0.000 . 1 . . . B 29 VAL HA . 19961 1 322 . 2 2 29 29 VAL HB H 1 2.131 0.000 . 1 . . . B 29 VAL HB . 19961 1 323 . 2 2 29 29 VAL HG11 H 1 0.840 0.000 . 2 . . . B 29 VAL HG11 . 19961 1 324 . 2 2 29 29 VAL HG12 H 1 0.840 0.000 . 2 . . . B 29 VAL HG12 . 19961 1 325 . 2 2 29 29 VAL HG13 H 1 0.840 0.000 . 2 . . . B 29 VAL HG13 . 19961 1 326 . 2 2 29 29 VAL HG21 H 1 1.124 0.000 . 2 . . . B 29 VAL HG21 . 19961 1 327 . 2 2 29 29 VAL HG22 H 1 1.124 0.000 . 2 . . . B 29 VAL HG22 . 19961 1 328 . 2 2 29 29 VAL HG23 H 1 1.124 0.000 . 2 . . . B 29 VAL HG23 . 19961 1 329 . 2 2 29 29 VAL C C 13 174.300 0.000 . 1 . . . B 29 VAL C . 19961 1 330 . 2 2 29 29 VAL CA C 13 61.566 0.000 . 1 . . . B 29 VAL CA . 19961 1 331 . 2 2 29 29 VAL CB C 13 35.035 0.000 . 1 . . . B 29 VAL CB . 19961 1 332 . 2 2 29 29 VAL CG1 C 13 22.641 0.000 . 2 . . . B 29 VAL CG1 . 19961 1 333 . 2 2 29 29 VAL CG2 C 13 21.640 0.000 . 2 . . . B 29 VAL CG2 . 19961 1 334 . 2 2 29 29 VAL N N 15 126.958 0.000 . 1 . . . B 29 VAL N . 19961 1 335 . 2 2 30 30 GLN H H 1 8.447 0.000 . 1 . . . B 30 GLN H . 19961 1 336 . 2 2 30 30 GLN HA H 1 5.274 0.000 . 1 . . . B 30 GLN HA . 19961 1 337 . 2 2 30 30 GLN HB2 H 1 2.124 0.000 . 2 . . . B 30 GLN HB2 . 19961 1 338 . 2 2 30 30 GLN HB3 H 1 1.888 0.000 . 2 . . . B 30 GLN HB3 . 19961 1 339 . 2 2 30 30 GLN HG2 H 1 2.253 0.000 . 2 . . . B 30 GLN HG2 . 19961 1 340 . 2 2 30 30 GLN HG3 H 1 2.181 0.000 . 2 . . . B 30 GLN HG3 . 19961 1 341 . 2 2 30 30 GLN HE21 H 1 7.376 0.000 . 1 . . . B 30 GLN HE21 . 19961 1 342 . 2 2 30 30 GLN HE22 H 1 6.886 0.000 . 1 . . . B 30 GLN HE22 . 19961 1 343 . 2 2 30 30 GLN C C 13 174.800 0.000 . 1 . . . B 30 GLN C . 19961 1 344 . 2 2 30 30 GLN CA C 13 55.375 0.000 . 1 . . . B 30 GLN CA . 19961 1 345 . 2 2 30 30 GLN CB C 13 30.908 0.000 . 1 . . . B 30 GLN CB . 19961 1 346 . 2 2 30 30 GLN CG C 13 34.587 0.000 . 1 . . . B 30 GLN CG . 19961 1 347 . 2 2 30 30 GLN N N 15 125.091 0.000 . 1 . . . B 30 GLN N . 19961 1 348 . 2 2 30 30 GLN NE2 N 15 111.595 0.000 . 1 . . . B 30 GLN NE2 . 19961 1 349 . 2 2 31 31 PHE H H 1 9.108 0.000 . 1 . . . B 31 PHE H . 19961 1 350 . 2 2 31 31 PHE HA H 1 4.763 0.000 . 1 . . . B 31 PHE HA . 19961 1 351 . 2 2 31 31 PHE HB2 H 1 2.583 0.000 . 2 . . . B 31 PHE HB2 . 19961 1 352 . 2 2 31 31 PHE HB3 H 1 3.008 0.000 . 2 . . . B 31 PHE HB3 . 19961 1 353 . 2 2 31 31 PHE HD1 H 1 7.270 0.000 . 1 . . . B 31 PHE HD1 . 19961 1 354 . 2 2 31 31 PHE HD2 H 1 7.270 0.000 . 1 . . . B 31 PHE HD2 . 19961 1 355 . 2 2 31 31 PHE C C 13 173.619 0.000 . 1 . . . B 31 PHE C . 19961 1 356 . 2 2 31 31 PHE CA C 13 57.586 0.000 . 1 . . . B 31 PHE CA . 19961 1 357 . 2 2 31 31 PHE CB C 13 44.910 0.000 . 1 . . . B 31 PHE CB . 19961 1 358 . 2 2 31 31 PHE CD1 C 13 132.481 0.000 . 1 . . . B 31 PHE CD1 . 19961 1 359 . 2 2 31 31 PHE CD2 C 13 132.481 0.000 . 1 . . . B 31 PHE CD2 . 19961 1 360 . 2 2 31 31 PHE N N 15 121.155 0.000 . 1 . . . B 31 PHE N . 19961 1 361 . 2 2 32 32 LYS H H 1 8.470 0.000 . 1 . . . B 32 LYS H . 19961 1 362 . 2 2 32 32 LYS HA H 1 5.392 0.000 . 1 . . . B 32 LYS HA . 19961 1 363 . 2 2 32 32 LYS HB2 H 1 1.691 0.000 . 2 . . . B 32 LYS HB2 . 19961 1 364 . 2 2 32 32 LYS HB3 H 1 1.642 0.000 . 2 . . . B 32 LYS HB3 . 19961 1 365 . 2 2 32 32 LYS HG2 H 1 1.333 0.000 . 2 . . . B 32 LYS HG2 . 19961 1 366 . 2 2 32 32 LYS HG3 H 1 1.223 0.000 . 2 . . . B 32 LYS HG3 . 19961 1 367 . 2 2 32 32 LYS HD2 H 1 1.471 0.000 . 2 . . . B 32 LYS HD2 . 19961 1 368 . 2 2 32 32 LYS HD3 H 1 1.449 0.000 . 2 . . . B 32 LYS HD3 . 19961 1 369 . 2 2 32 32 LYS HE2 H 1 2.720 0.000 . 2 . . . B 32 LYS HE2 . 19961 1 370 . 2 2 32 32 LYS HE3 H 1 2.687 0.000 . 2 . . . B 32 LYS HE3 . 19961 1 371 . 2 2 32 32 LYS C C 13 176.142 0.000 . 1 . . . B 32 LYS C . 19961 1 372 . 2 2 32 32 LYS CA C 13 55.597 0.000 . 1 . . . B 32 LYS CA . 19961 1 373 . 2 2 32 32 LYS CB C 13 33.856 0.000 . 1 . . . B 32 LYS CB . 19961 1 374 . 2 2 32 32 LYS CG C 13 24.917 0.000 . 1 . . . B 32 LYS CG . 19961 1 375 . 2 2 32 32 LYS CD C 13 29.191 0.000 . 1 . . . B 32 LYS CD . 19961 1 376 . 2 2 32 32 LYS CE C 13 41.745 0.000 . 1 . . . B 32 LYS CE . 19961 1 377 . 2 2 32 32 LYS N N 15 123.003 0.000 . 1 . . . B 32 LYS N . 19961 1 378 . 2 2 33 33 ILE H H 1 8.939 0.000 . 1 . . . B 33 ILE H . 19961 1 379 . 2 2 33 33 ILE HA H 1 4.893 0.000 . 1 . . . B 33 ILE HA . 19961 1 380 . 2 2 33 33 ILE HB H 1 1.878 0.000 . 1 . . . B 33 ILE HB . 19961 1 381 . 2 2 33 33 ILE HG12 H 1 1.495 0.000 . 2 . . . B 33 ILE HG12 . 19961 1 382 . 2 2 33 33 ILE HG13 H 1 1.330 0.000 . 2 . . . B 33 ILE HG13 . 19961 1 383 . 2 2 33 33 ILE HG21 H 1 0.837 0.000 . 1 . . . B 33 ILE HG21 . 19961 1 384 . 2 2 33 33 ILE HG22 H 1 0.837 0.000 . 1 . . . B 33 ILE HG22 . 19961 1 385 . 2 2 33 33 ILE HG23 H 1 0.837 0.000 . 1 . . . B 33 ILE HG23 . 19961 1 386 . 2 2 33 33 ILE HD11 H 1 0.725 0.000 . 1 . . . B 33 ILE HD11 . 19961 1 387 . 2 2 33 33 ILE HD12 H 1 0.725 0.000 . 1 . . . B 33 ILE HD12 . 19961 1 388 . 2 2 33 33 ILE HD13 H 1 0.725 0.000 . 1 . . . B 33 ILE HD13 . 19961 1 389 . 2 2 33 33 ILE C C 13 173.739 0.000 . 1 . . . B 33 ILE C . 19961 1 390 . 2 2 33 33 ILE CA C 13 59.502 0.000 . 1 . . . B 33 ILE CA . 19961 1 391 . 2 2 33 33 ILE CB C 13 42.331 0.000 . 1 . . . B 33 ILE CB . 19961 1 392 . 2 2 33 33 ILE CG1 C 13 26.630 0.000 . 1 . . . B 33 ILE CG1 . 19961 1 393 . 2 2 33 33 ILE CG2 C 13 16.633 0.000 . 1 . . . B 33 ILE CG2 . 19961 1 394 . 2 2 33 33 ILE CD1 C 13 14.552 0.000 . 1 . . . B 33 ILE CD1 . 19961 1 395 . 2 2 33 33 ILE N N 15 122.310 0.000 . 1 . . . B 33 ILE N . 19961 1 396 . 2 2 34 34 LYS H H 1 8.210 0.000 . 1 . . . B 34 LYS H . 19961 1 397 . 2 2 34 34 LYS HA H 1 4.585 0.000 . 1 . . . B 34 LYS HA . 19961 1 398 . 2 2 34 34 LYS HB2 H 1 1.868 0.000 . 2 . . . B 34 LYS HB2 . 19961 1 399 . 2 2 34 34 LYS HB3 H 1 1.790 0.000 . 2 . . . B 34 LYS HB3 . 19961 1 400 . 2 2 34 34 LYS HG2 H 1 0.861 0.000 . 2 . . . B 34 LYS HG2 . 19961 1 401 . 2 2 34 34 LYS HG3 H 1 1.294 0.000 . 2 . . . B 34 LYS HG3 . 19961 1 402 . 2 2 34 34 LYS HD2 H 1 1.593 0.000 . 2 . . . B 34 LYS HD2 . 19961 1 403 . 2 2 34 34 LYS HD3 H 1 1.575 0.000 . 2 . . . B 34 LYS HD3 . 19961 1 404 . 2 2 34 34 LYS HE2 H 1 2.935 0.000 . 2 . . . B 34 LYS HE2 . 19961 1 405 . 2 2 34 34 LYS HE3 H 1 2.910 0.000 . 2 . . . B 34 LYS HE3 . 19961 1 406 . 2 2 34 34 LYS C C 13 178.545 0.000 . 1 . . . B 34 LYS C . 19961 1 407 . 2 2 34 34 LYS CA C 13 56.997 0.000 . 1 . . . B 34 LYS CA . 19961 1 408 . 2 2 34 34 LYS CB C 13 32.382 0.000 . 1 . . . B 34 LYS CB . 19961 1 409 . 2 2 34 34 LYS CG C 13 26.046 0.000 . 1 . . . B 34 LYS CG . 19961 1 410 . 2 2 34 34 LYS CD C 13 29.383 0.000 . 1 . . . B 34 LYS CD . 19961 1 411 . 2 2 34 34 LYS CE C 13 42.029 0.000 . 1 . . . B 34 LYS CE . 19961 1 412 . 2 2 34 34 LYS N N 15 123.261 0.000 . 1 . . . B 34 LYS N . 19961 1 413 . 2 2 35 35 ARG H H 1 8.307 0.000 . 1 . . . B 35 ARG H . 19961 1 414 . 2 2 35 35 ARG HA H 1 3.660 0.000 . 1 . . . B 35 ARG HA . 19961 1 415 . 2 2 35 35 ARG HB2 H 1 1.594 0.000 . 2 . . . B 35 ARG HB2 . 19961 1 416 . 2 2 35 35 ARG HB3 H 1 1.496 0.000 . 2 . . . B 35 ARG HB3 . 19961 1 417 . 2 2 35 35 ARG HG2 H 1 1.324 0.000 . 2 . . . B 35 ARG HG2 . 19961 1 418 . 2 2 35 35 ARG HG3 H 1 1.485 0.000 . 2 . . . B 35 ARG HG3 . 19961 1 419 . 2 2 35 35 ARG HD2 H 1 3.221 0.000 . 2 . . . B 35 ARG HD2 . 19961 1 420 . 2 2 35 35 ARG HD3 H 1 3.172 0.000 . 2 . . . B 35 ARG HD3 . 19961 1 421 . 2 2 35 35 ARG C C 13 175.741 0.000 . 1 . . . B 35 ARG C . 19961 1 422 . 2 2 35 35 ARG CA C 13 59.945 0.000 . 1 . . . B 35 ARG CA . 19961 1 423 . 2 2 35 35 ARG CB C 13 30.392 0.000 . 1 . . . B 35 ARG CB . 19961 1 424 . 2 2 35 35 ARG CG C 13 29.495 0.000 . 1 . . . B 35 ARG CG . 19961 1 425 . 2 2 35 35 ARG CD C 13 42.996 0.000 . 1 . . . B 35 ARG CD . 19961 1 426 . 2 2 35 35 ARG N N 15 118.129 0.000 . 1 . . . B 35 ARG N . 19961 1 427 . 2 2 36 36 HIS H H 1 7.695 0.000 . 1 . . . B 36 HIS H . 19961 1 428 . 2 2 36 36 HIS HA H 1 4.851 0.000 . 1 . . . B 36 HIS HA . 19961 1 429 . 2 2 36 36 HIS HB2 H 1 3.394 0.000 . 2 . . . B 36 HIS HB2 . 19961 1 430 . 2 2 36 36 HIS HB3 H 1 2.990 0.000 . 2 . . . B 36 HIS HB3 . 19961 1 431 . 2 2 36 36 HIS HD1 H 1 7.045 0.000 . 1 . . . B 36 HIS HD1 . 19961 1 432 . 2 2 36 36 HIS HD2 H 1 7.045 0.000 . 1 . . . B 36 HIS HD2 . 19961 1 433 . 2 2 36 36 HIS C C 13 174.520 0.000 . 1 . . . B 36 HIS C . 19961 1 434 . 2 2 36 36 HIS CA C 13 54.933 0.000 . 1 . . . B 36 HIS CA . 19961 1 435 . 2 2 36 36 HIS CB C 13 29.434 0.000 . 1 . . . B 36 HIS CB . 19961 1 436 . 2 2 36 36 HIS CD2 C 13 119.359 0.000 . 1 . . . B 36 HIS CD2 . 19961 1 437 . 2 2 36 36 HIS N N 15 111.553 0.000 . 1 . . . B 36 HIS N . 19961 1 438 . 2 2 37 37 THR H H 1 7.368 0.000 . 1 . . . B 37 THR H . 19961 1 439 . 2 2 37 37 THR HA H 1 4.600 0.000 . 1 . . . B 37 THR HA . 19961 1 440 . 2 2 37 37 THR HB H 1 4.110 0.000 . 1 . . . B 37 THR HB . 19961 1 441 . 2 2 37 37 THR HG21 H 1 1.448 0.000 . 1 . . . B 37 THR HG21 . 19961 1 442 . 2 2 37 37 THR HG22 H 1 1.448 0.000 . 1 . . . B 37 THR HG22 . 19961 1 443 . 2 2 37 37 THR HG23 H 1 1.448 0.000 . 1 . . . B 37 THR HG23 . 19961 1 444 . 2 2 37 37 THR C C 13 170.935 0.000 . 1 . . . B 37 THR C . 19961 1 445 . 2 2 37 37 THR CA C 13 61.050 0.000 . 1 . . . B 37 THR CA . 19961 1 446 . 2 2 37 37 THR CB C 13 70.926 0.000 . 1 . . . B 37 THR CB . 19961 1 447 . 2 2 37 37 THR CG2 C 13 21.617 0.000 . 1 . . . B 37 THR CG2 . 19961 1 448 . 2 2 37 37 THR N N 15 121.061 0.000 . 1 . . . B 37 THR N . 19961 1 449 . 2 2 38 38 PRO HA H 1 4.329 0.000 . 1 . . . B 38 PRO HA . 19961 1 450 . 2 2 38 38 PRO HB2 H 1 2.370 0.000 . 2 . . . B 38 PRO HB2 . 19961 1 451 . 2 2 38 38 PRO HB3 H 1 2.154 0.000 . 2 . . . B 38 PRO HB3 . 19961 1 452 . 2 2 38 38 PRO HG2 H 1 2.153 0.000 . 2 . . . B 38 PRO HG2 . 19961 1 453 . 2 2 38 38 PRO HG3 H 1 1.997 0.000 . 2 . . . B 38 PRO HG3 . 19961 1 454 . 2 2 38 38 PRO HD2 H 1 3.661 0.000 . 2 . . . B 38 PRO HD2 . 19961 1 455 . 2 2 38 38 PRO HD3 H 1 3.853 0.000 . 2 . . . B 38 PRO HD3 . 19961 1 456 . 2 2 38 38 PRO C C 13 178.405 0.000 . 1 . . . B 38 PRO C . 19961 1 457 . 2 2 38 38 PRO CA C 13 62.819 0.000 . 1 . . . B 38 PRO CA . 19961 1 458 . 2 2 38 38 PRO CB C 13 32.161 0.000 . 1 . . . B 38 PRO CB . 19961 1 459 . 2 2 38 38 PRO CG C 13 27.921 0.000 . 1 . . . B 38 PRO CG . 19961 1 460 . 2 2 38 38 PRO CD C 13 51.201 0.000 . 1 . . . B 38 PRO CD . 19961 1 461 . 2 2 39 39 LEU H H 1 9.055 0.000 . 1 . . . B 39 LEU H . 19961 1 462 . 2 2 39 39 LEU HA H 1 3.837 0.000 . 1 . . . B 39 LEU HA . 19961 1 463 . 2 2 39 39 LEU HB2 H 1 1.722 0.000 . 2 . . . B 39 LEU HB2 . 19961 1 464 . 2 2 39 39 LEU HB3 H 1 1.721 0.000 . 2 . . . B 39 LEU HB3 . 19961 1 465 . 2 2 39 39 LEU HG H 1 1.565 0.000 . 1 . . . B 39 LEU HG . 19961 1 466 . 2 2 39 39 LEU HD11 H 1 0.615 0.000 . 2 . . . B 39 LEU HD11 . 19961 1 467 . 2 2 39 39 LEU HD12 H 1 0.615 0.000 . 2 . . . B 39 LEU HD12 . 19961 1 468 . 2 2 39 39 LEU HD13 H 1 0.615 0.000 . 2 . . . B 39 LEU HD13 . 19961 1 469 . 2 2 39 39 LEU HD21 H 1 0.649 0.000 . 2 . . . B 39 LEU HD21 . 19961 1 470 . 2 2 39 39 LEU HD22 H 1 0.649 0.000 . 2 . . . B 39 LEU HD22 . 19961 1 471 . 2 2 39 39 LEU HD23 H 1 0.649 0.000 . 2 . . . B 39 LEU HD23 . 19961 1 472 . 2 2 39 39 LEU C C 13 177.524 0.000 . 1 . . . B 39 LEU C . 19961 1 473 . 2 2 39 39 LEU CA C 13 57.513 0.000 . 1 . . . B 39 LEU CA . 19961 1 474 . 2 2 39 39 LEU CB C 13 41.815 0.000 . 1 . . . B 39 LEU CB . 19961 1 475 . 2 2 39 39 LEU CG C 13 29.104 0.000 . 1 . . . B 39 LEU CG . 19961 1 476 . 2 2 39 39 LEU CD1 C 13 26.555 0.000 . 2 . . . B 39 LEU CD1 . 19961 1 477 . 2 2 39 39 LEU CD2 C 13 24.553 0.000 . 2 . . . B 39 LEU CD2 . 19961 1 478 . 2 2 39 39 LEU N N 15 122.577 0.000 . 1 . . . B 39 LEU N . 19961 1 479 . 2 2 40 40 SER H H 1 8.402 0.000 . 1 . . . B 40 SER H . 19961 1 480 . 2 2 40 40 SER HA H 1 4.406 0.000 . 1 . . . B 40 SER HA . 19961 1 481 . 2 2 40 40 SER HB2 H 1 4.228 0.000 . 2 . . . B 40 SER HB2 . 19961 1 482 . 2 2 40 40 SER HB3 H 1 4.260 0.000 . 2 . . . B 40 SER HB3 . 19961 1 483 . 2 2 40 40 SER C C 13 176.105 0.000 . 1 . . . B 40 SER C . 19961 1 484 . 2 2 40 40 SER CA C 13 61.566 0.000 . 1 . . . B 40 SER CA . 19961 1 485 . 2 2 40 40 SER CB C 13 61.713 0.000 . 1 . . . B 40 SER CB . 19961 1 486 . 2 2 40 40 SER N N 15 115.800 0.000 . 1 . . . B 40 SER N . 19961 1 487 . 2 2 41 41 LYS H H 1 7.726 0.000 . 1 . . . B 41 LYS H . 19961 1 488 . 2 2 41 41 LYS HA H 1 4.034 0.000 . 1 . . . B 41 LYS HA . 19961 1 489 . 2 2 41 41 LYS HB2 H 1 1.927 0.000 . 2 . . . B 41 LYS HB2 . 19961 1 490 . 2 2 41 41 LYS HB3 H 1 1.806 0.000 . 2 . . . B 41 LYS HB3 . 19961 1 491 . 2 2 41 41 LYS HG2 H 1 1.595 0.000 . 2 . . . B 41 LYS HG2 . 19961 1 492 . 2 2 41 41 LYS HG3 H 1 1.470 0.000 . 2 . . . B 41 LYS HG3 . 19961 1 493 . 2 2 41 41 LYS HD2 H 1 1.722 0.000 . 2 . . . B 41 LYS HD2 . 19961 1 494 . 2 2 41 41 LYS HD3 H 1 1.762 0.000 . 2 . . . B 41 LYS HD3 . 19961 1 495 . 2 2 41 41 LYS HE2 H 1 3.072 0.000 . 2 . . . B 41 LYS HE2 . 19961 1 496 . 2 2 41 41 LYS HE3 H 1 3.005 0.000 . 2 . . . B 41 LYS HE3 . 19961 1 497 . 2 2 41 41 LYS C C 13 179.086 0.000 . 1 . . . B 41 LYS C . 19961 1 498 . 2 2 41 41 LYS CA C 13 60.018 0.000 . 1 . . . B 41 LYS CA . 19961 1 499 . 2 2 41 41 LYS CB C 13 32.161 0.000 . 1 . . . B 41 LYS CB . 19961 1 500 . 2 2 41 41 LYS CG C 13 25.490 0.000 . 1 . . . B 41 LYS CG . 19961 1 501 . 2 2 41 41 LYS CD C 13 29.230 0.000 . 1 . . . B 41 LYS CD . 19961 1 502 . 2 2 41 41 LYS CE C 13 42.009 0.000 . 1 . . . B 41 LYS CE . 19961 1 503 . 2 2 41 41 LYS N N 15 119.662 0.000 . 1 . . . B 41 LYS N . 19961 1 504 . 2 2 42 42 LEU H H 1 6.945 0.000 . 1 . . . B 42 LEU H . 19961 1 505 . 2 2 42 42 LEU HA H 1 3.650 0.000 . 1 . . . B 42 LEU HA . 19961 1 506 . 2 2 42 42 LEU HB2 H 1 1.470 0.000 . 2 . . . B 42 LEU HB2 . 19961 1 507 . 2 2 42 42 LEU HB3 H 1 1.390 0.000 . 2 . . . B 42 LEU HB3 . 19961 1 508 . 2 2 42 42 LEU HG H 1 0.424 0.000 . 1 . . . B 42 LEU HG . 19961 1 509 . 2 2 42 42 LEU HD11 H 1 0.759 0.000 . 2 . . . B 42 LEU HD11 . 19961 1 510 . 2 2 42 42 LEU HD12 H 1 0.759 0.000 . 2 . . . B 42 LEU HD12 . 19961 1 511 . 2 2 42 42 LEU HD13 H 1 0.759 0.000 . 2 . . . B 42 LEU HD13 . 19961 1 512 . 2 2 42 42 LEU HD21 H 1 0.242 0.000 . 2 . . . B 42 LEU HD21 . 19961 1 513 . 2 2 42 42 LEU HD22 H 1 0.242 0.000 . 2 . . . B 42 LEU HD22 . 19961 1 514 . 2 2 42 42 LEU HD23 H 1 0.242 0.000 . 2 . . . B 42 LEU HD23 . 19961 1 515 . 2 2 42 42 LEU C C 13 177.323 0.000 . 1 . . . B 42 LEU C . 19961 1 516 . 2 2 42 42 LEU CA C 13 57.955 0.000 . 1 . . . B 42 LEU CA . 19961 1 517 . 2 2 42 42 LEU CB C 13 42.110 0.000 . 1 . . . B 42 LEU CB . 19961 1 518 . 2 2 42 42 LEU CG C 13 27.404 0.000 . 1 . . . B 42 LEU CG . 19961 1 519 . 2 2 42 42 LEU CD1 C 13 26.596 0.000 . 2 . . . B 42 LEU CD1 . 19961 1 520 . 2 2 42 42 LEU CD2 C 13 24.131 0.000 . 2 . . . B 42 LEU CD2 . 19961 1 521 . 2 2 42 42 LEU N N 15 121.659 0.000 . 1 . . . B 42 LEU N . 19961 1 522 . 2 2 43 43 MET H H 1 8.255 0.000 . 1 . . . B 43 MET H . 19961 1 523 . 2 2 43 43 MET HA H 1 3.345 0.000 . 1 . . . B 43 MET HA . 19961 1 524 . 2 2 43 43 MET HB2 H 1 1.741 0.000 . 2 . . . B 43 MET HB2 . 19961 1 525 . 2 2 43 43 MET HB3 H 1 1.750 0.000 . 2 . . . B 43 MET HB3 . 19961 1 526 . 2 2 43 43 MET HG2 H 1 1.922 0.000 . 2 . . . B 43 MET HG2 . 19961 1 527 . 2 2 43 43 MET HG3 H 1 1.927 0.000 . 2 . . . B 43 MET HG3 . 19961 1 528 . 2 2 43 43 MET HE1 H 1 1.535 0.000 . 1 . . . B 43 MET HE1 . 19961 1 529 . 2 2 43 43 MET HE2 H 1 1.535 0.000 . 1 . . . B 43 MET HE2 . 19961 1 530 . 2 2 43 43 MET HE3 H 1 1.535 0.000 . 1 . . . B 43 MET HE3 . 19961 1 531 . 2 2 43 43 MET C C 13 177.864 0.000 . 1 . . . B 43 MET C . 19961 1 532 . 2 2 43 43 MET CA C 13 59.786 0.000 . 1 . . . B 43 MET CA . 19961 1 533 . 2 2 43 43 MET CB C 13 32.898 0.000 . 1 . . . B 43 MET CB . 19961 1 534 . 2 2 43 43 MET CG C 13 31.527 0.000 . 1 . . . B 43 MET CG . 19961 1 535 . 2 2 43 43 MET CE C 13 17.601 0.000 . 1 . . . B 43 MET CE . 19961 1 536 . 2 2 43 43 MET N N 15 119.058 0.000 . 1 . . . B 43 MET N . 19961 1 537 . 2 2 44 44 LYS H H 1 8.250 0.000 . 1 . . . B 44 LYS H . 19961 1 538 . 2 2 44 44 LYS HA H 1 4.044 0.000 . 1 . . . B 44 LYS HA . 19961 1 539 . 2 2 44 44 LYS HB2 H 1 1.927 0.000 . 2 . . . B 44 LYS HB2 . 19961 1 540 . 2 2 44 44 LYS HB3 H 1 1.880 0.000 . 2 . . . B 44 LYS HB3 . 19961 1 541 . 2 2 44 44 LYS HG2 H 1 1.601 0.000 . 2 . . . B 44 LYS HG2 . 19961 1 542 . 2 2 44 44 LYS HG3 H 1 1.481 0.000 . 2 . . . B 44 LYS HG3 . 19961 1 543 . 2 2 44 44 LYS HD2 H 1 1.718 0.000 . 2 . . . B 44 LYS HD2 . 19961 1 544 . 2 2 44 44 LYS HD3 H 1 1.770 0.000 . 2 . . . B 44 LYS HD3 . 19961 1 545 . 2 2 44 44 LYS HE2 H 1 3.003 0.000 . 2 . . . B 44 LYS HE2 . 19961 1 546 . 2 2 44 44 LYS HE3 H 1 3.066 0.000 . 2 . . . B 44 LYS HE3 . 19961 1 547 . 2 2 44 44 LYS C C 13 178.665 0.000 . 1 . . . B 44 LYS C . 19961 1 548 . 2 2 44 44 LYS CA C 13 60.092 0.000 . 1 . . . B 44 LYS CA . 19961 1 549 . 2 2 44 44 LYS CB C 13 32.456 0.000 . 1 . . . B 44 LYS CB . 19961 1 550 . 2 2 44 44 LYS CG C 13 25.528 0.000 . 1 . . . B 44 LYS CG . 19961 1 551 . 2 2 44 44 LYS CD C 13 29.275 0.000 . 1 . . . B 44 LYS CD . 19961 1 552 . 2 2 44 44 LYS CE C 13 41.978 0.000 . 1 . . . B 44 LYS CE . 19961 1 553 . 2 2 44 44 LYS N N 15 118.557 0.000 . 1 . . . B 44 LYS N . 19961 1 554 . 2 2 45 45 ALA H H 1 7.513 0.000 . 1 . . . B 45 ALA H . 19961 1 555 . 2 2 45 45 ALA HA H 1 4.300 0.000 . 1 . . . B 45 ALA HA . 19961 1 556 . 2 2 45 45 ALA HB1 H 1 1.583 0.000 . 1 . . . B 45 ALA HB1 . 19961 1 557 . 2 2 45 45 ALA HB2 H 1 1.583 0.000 . 1 . . . B 45 ALA HB2 . 19961 1 558 . 2 2 45 45 ALA HB3 H 1 1.583 0.000 . 1 . . . B 45 ALA HB3 . 19961 1 559 . 2 2 45 45 ALA C C 13 180.728 0.000 . 1 . . . B 45 ALA C . 19961 1 560 . 2 2 45 45 ALA CA C 13 55.228 0.000 . 1 . . . B 45 ALA CA . 19961 1 561 . 2 2 45 45 ALA CB C 13 18.674 0.000 . 1 . . . B 45 ALA CB . 19961 1 562 . 2 2 45 45 ALA N N 15 121.610 0.000 . 1 . . . B 45 ALA N . 19961 1 563 . 2 2 46 46 TYR H H 1 8.829 0.000 . 1 . . . B 46 TYR H . 19961 1 564 . 2 2 46 46 TYR HA H 1 4.146 0.000 . 1 . . . B 46 TYR HA . 19961 1 565 . 2 2 46 46 TYR HB2 H 1 3.323 0.000 . 2 . . . B 46 TYR HB2 . 19961 1 566 . 2 2 46 46 TYR HB3 H 1 3.077 0.000 . 2 . . . B 46 TYR HB3 . 19961 1 567 . 2 2 46 46 TYR HD1 H 1 7.132 0.000 . 1 . . . B 46 TYR HD1 . 19961 1 568 . 2 2 46 46 TYR HD2 H 1 7.132 0.000 . 1 . . . B 46 TYR HD2 . 19961 1 569 . 2 2 46 46 TYR HE1 H 1 7.286 0.000 . 1 . . . B 46 TYR HE1 . 19961 1 570 . 2 2 46 46 TYR HE2 H 1 7.286 0.000 . 1 . . . B 46 TYR HE2 . 19961 1 571 . 2 2 46 46 TYR C C 13 177.043 0.000 . 1 . . . B 46 TYR C . 19961 1 572 . 2 2 46 46 TYR CA C 13 63.114 0.000 . 1 . . . B 46 TYR CA . 19961 1 573 . 2 2 46 46 TYR CB C 13 38.425 0.000 . 1 . . . B 46 TYR CB . 19961 1 574 . 2 2 46 46 TYR CD1 C 13 132.481 0.000 . 1 . . . B 46 TYR CD1 . 19961 1 575 . 2 2 46 46 TYR CD2 C 13 132.481 0.000 . 1 . . . B 46 TYR CD2 . 19961 1 576 . 2 2 46 46 TYR CE1 C 13 130.840 0.000 . 1 . . . B 46 TYR CE1 . 19961 1 577 . 2 2 46 46 TYR CE2 C 13 130.840 0.000 . 1 . . . B 46 TYR CE2 . 19961 1 578 . 2 2 46 46 TYR N N 15 119.931 0.000 . 1 . . . B 46 TYR N . 19961 1 579 . 2 2 47 47 CYS H H 1 8.383 0.000 . 1 . . . B 47 CYS H . 19961 1 580 . 2 2 47 47 CYS HA H 1 3.837 0.000 . 1 . . . B 47 CYS HA . 19961 1 581 . 2 2 47 47 CYS HB2 H 1 3.227 0.000 . 2 . . . B 47 CYS HB2 . 19961 1 582 . 2 2 47 47 CYS HB3 H 1 3.138 0.000 . 2 . . . B 47 CYS HB3 . 19961 1 583 . 2 2 47 47 CYS C C 13 177.263 0.000 . 1 . . . B 47 CYS C . 19961 1 584 . 2 2 47 47 CYS CA C 13 65.767 0.000 . 1 . . . B 47 CYS CA . 19961 1 585 . 2 2 47 47 CYS CB C 13 26.339 0.000 . 1 . . . B 47 CYS CB . 19961 1 586 . 2 2 47 47 CYS N N 15 117.057 0.000 . 1 . . . B 47 CYS N . 19961 1 587 . 2 2 48 48 GLU H H 1 8.350 0.000 . 1 . . . B 48 GLU H . 19961 1 588 . 2 2 48 48 GLU HA H 1 4.113 0.000 . 1 . . . B 48 GLU HA . 19961 1 589 . 2 2 48 48 GLU HB2 H 1 2.123 0.000 . 2 . . . B 48 GLU HB2 . 19961 1 590 . 2 2 48 48 GLU HB3 H 1 2.213 0.000 . 2 . . . B 48 GLU HB3 . 19961 1 591 . 2 2 48 48 GLU HG2 H 1 2.488 0.000 . 2 . . . B 48 GLU HG2 . 19961 1 592 . 2 2 48 48 GLU HG3 H 1 2.315 0.000 . 2 . . . B 48 GLU HG3 . 19961 1 593 . 2 2 48 48 GLU C C 13 179.266 0.000 . 1 . . . B 48 GLU C . 19961 1 594 . 2 2 48 48 GLU CA C 13 59.429 0.000 . 1 . . . B 48 GLU CA . 19961 1 595 . 2 2 48 48 GLU CB C 13 29.581 0.000 . 1 . . . B 48 GLU CB . 19961 1 596 . 2 2 48 48 GLU CG C 13 36.659 0.000 . 1 . . . B 48 GLU CG . 19961 1 597 . 2 2 48 48 GLU N N 15 118.880 0.000 . 1 . . . B 48 GLU N . 19961 1 598 . 2 2 49 49 ARG H H 1 8.012 0.000 . 1 . . . B 49 ARG H . 19961 1 599 . 2 2 49 49 ARG HA H 1 4.123 0.000 . 1 . . . B 49 ARG HA . 19961 1 600 . 2 2 49 49 ARG HB2 H 1 2.055 0.000 . 2 . . . B 49 ARG HB2 . 19961 1 601 . 2 2 49 49 ARG HB3 H 1 2.026 0.000 . 2 . . . B 49 ARG HB3 . 19961 1 602 . 2 2 49 49 ARG HG2 H 1 1.852 0.000 . 2 . . . B 49 ARG HG2 . 19961 1 603 . 2 2 49 49 ARG HG3 H 1 1.810 0.000 . 2 . . . B 49 ARG HG3 . 19961 1 604 . 2 2 49 49 ARG HD2 H 1 3.242 0.000 . 2 . . . B 49 ARG HD2 . 19961 1 605 . 2 2 49 49 ARG HD3 H 1 3.211 0.000 . 2 . . . B 49 ARG HD3 . 19961 1 606 . 2 2 49 49 ARG C C 13 178.064 0.000 . 1 . . . B 49 ARG C . 19961 1 607 . 2 2 49 49 ARG CA C 13 58.416 0.000 . 1 . . . B 49 ARG CA . 19961 1 608 . 2 2 49 49 ARG CB C 13 30.245 0.000 . 1 . . . B 49 ARG CB . 19961 1 609 . 2 2 49 49 ARG CG C 13 26.978 0.000 . 1 . . . B 49 ARG CG . 19961 1 610 . 2 2 49 49 ARG CD C 13 43.434 0.000 . 1 . . . B 49 ARG CD . 19961 1 611 . 2 2 49 49 ARG N N 15 119.453 0.000 . 1 . . . B 49 ARG N . 19961 1 612 . 2 2 50 50 GLN H H 1 7.754 0.000 . 1 . . . B 50 GLN H . 19961 1 613 . 2 2 50 50 GLN HA H 1 4.324 0.000 . 1 . . . B 50 GLN HA . 19961 1 614 . 2 2 50 50 GLN HB2 H 1 2.105 0.000 . 2 . . . B 50 GLN HB2 . 19961 1 615 . 2 2 50 50 GLN HB3 H 1 1.445 0.000 . 2 . . . B 50 GLN HB3 . 19961 1 616 . 2 2 50 50 GLN HG2 H 1 1.754 0.000 . 2 . . . B 50 GLN HG2 . 19961 1 617 . 2 2 50 50 GLN HG3 H 1 1.705 0.000 . 2 . . . B 50 GLN HG3 . 19961 1 618 . 2 2 50 50 GLN HE21 H 1 6.761 0.000 . 1 . . . B 50 GLN HE21 . 19961 1 619 . 2 2 50 50 GLN HE22 H 1 6.689 0.000 . 1 . . . B 50 GLN HE22 . 19961 1 620 . 2 2 50 50 GLN C C 13 176.202 0.000 . 1 . . . B 50 GLN C . 19961 1 621 . 2 2 50 50 GLN CA C 13 54.860 0.000 . 1 . . . B 50 GLN CA . 19961 1 622 . 2 2 50 50 GLN CB C 13 30.539 0.000 . 1 . . . B 50 GLN CB . 19961 1 623 . 2 2 50 50 GLN CG C 13 33.533 0.000 . 1 . . . B 50 GLN CG . 19961 1 624 . 2 2 50 50 GLN N N 15 112.732 0.000 . 1 . . . B 50 GLN N . 19961 1 625 . 2 2 50 50 GLN NE2 N 15 109.259 0.000 . 1 . . . B 50 GLN NE2 . 19961 1 626 . 2 2 51 51 GLY H H 1 7.752 0.000 . 1 . . . B 51 GLY H . 19961 1 627 . 2 2 51 51 GLY HA2 H 1 4.024 0.000 . 2 . . . B 51 GLY HA2 . 19961 1 628 . 2 2 51 51 GLY HA3 H 1 3.955 0.000 . 2 . . . B 51 GLY HA3 . 19961 1 629 . 2 2 51 51 GLY C C 13 174.620 0.000 . 1 . . . B 51 GLY C . 19961 1 630 . 2 2 51 51 GLY CA C 13 47.048 0.000 . 1 . . . B 51 GLY CA . 19961 1 631 . 2 2 51 51 GLY N N 15 109.755 0.000 . 1 . . . B 51 GLY N . 19961 1 632 . 2 2 52 52 LEU H H 1 8.051 0.000 . 1 . . . B 52 LEU H . 19961 1 633 . 2 2 52 52 LEU HA H 1 4.703 0.000 . 1 . . . B 52 LEU HA . 19961 1 634 . 2 2 52 52 LEU HB2 H 1 1.540 0.000 . 2 . . . B 52 LEU HB2 . 19961 1 635 . 2 2 52 52 LEU HB3 H 1 1.435 0.000 . 2 . . . B 52 LEU HB3 . 19961 1 636 . 2 2 52 52 LEU HG H 1 1.427 0.000 . 1 . . . B 52 LEU HG . 19961 1 637 . 2 2 52 52 LEU HD11 H 1 0.892 0.000 . 2 . . . B 52 LEU HD11 . 19961 1 638 . 2 2 52 52 LEU HD12 H 1 0.892 0.000 . 2 . . . B 52 LEU HD12 . 19961 1 639 . 2 2 52 52 LEU HD13 H 1 0.892 0.000 . 2 . . . B 52 LEU HD13 . 19961 1 640 . 2 2 52 52 LEU HD21 H 1 0.860 0.000 . 2 . . . B 52 LEU HD21 . 19961 1 641 . 2 2 52 52 LEU HD22 H 1 0.860 0.000 . 2 . . . B 52 LEU HD22 . 19961 1 642 . 2 2 52 52 LEU HD23 H 1 0.860 0.000 . 2 . . . B 52 LEU HD23 . 19961 1 643 . 2 2 52 52 LEU C C 13 175.962 0.000 . 1 . . . B 52 LEU C . 19961 1 644 . 2 2 52 52 LEU CA C 13 53.091 0.000 . 1 . . . B 52 LEU CA . 19961 1 645 . 2 2 52 52 LEU CB C 13 45.942 0.000 . 1 . . . B 52 LEU CB . 19961 1 646 . 2 2 52 52 LEU CG C 13 26.469 0.000 . 1 . . . B 52 LEU CG . 19961 1 647 . 2 2 52 52 LEU CD1 C 13 26.331 0.000 . 2 . . . B 52 LEU CD1 . 19961 1 648 . 2 2 52 52 LEU CD2 C 13 22.518 0.000 . 2 . . . B 52 LEU CD2 . 19961 1 649 . 2 2 52 52 LEU N N 15 119.092 0.000 . 1 . . . B 52 LEU N . 19961 1 650 . 2 2 53 53 SER H H 1 8.484 0.000 . 1 . . . B 53 SER H . 19961 1 651 . 2 2 53 53 SER HA H 1 4.782 0.000 . 1 . . . B 53 SER HA . 19961 1 652 . 2 2 53 53 SER HB2 H 1 4.010 0.000 . 2 . . . B 53 SER HB2 . 19961 1 653 . 2 2 53 53 SER HB3 H 1 3.847 0.000 . 2 . . . B 53 SER HB3 . 19961 1 654 . 2 2 53 53 SER C C 13 175.962 0.000 . 1 . . . B 53 SER C . 19961 1 655 . 2 2 53 53 SER CA C 13 56.628 0.000 . 1 . . . B 53 SER CA . 19961 1 656 . 2 2 53 53 SER CB C 13 64.514 0.000 . 1 . . . B 53 SER CB . 19961 1 657 . 2 2 53 53 SER N N 15 114.615 0.000 . 1 . . . B 53 SER N . 19961 1 658 . 2 2 54 54 MET H H 1 8.935 0.000 . 1 . . . B 54 MET H . 19961 1 659 . 2 2 54 54 MET HA H 1 4.398 0.000 . 1 . . . B 54 MET HA . 19961 1 660 . 2 2 54 54 MET HB2 H 1 2.797 0.000 . 2 . . . B 54 MET HB2 . 19961 1 661 . 2 2 54 54 MET HB3 H 1 2.764 0.000 . 2 . . . B 54 MET HB3 . 19961 1 662 . 2 2 54 54 MET HG2 H 1 2.213 0.000 . 2 . . . B 54 MET HG2 . 19961 1 663 . 2 2 54 54 MET HG3 H 1 2.164 0.000 . 2 . . . B 54 MET HG3 . 19961 1 664 . 2 2 54 54 MET HE1 H 1 2.134 0.000 . 1 . . . B 54 MET HE1 . 19961 1 665 . 2 2 54 54 MET HE2 H 1 2.134 0.000 . 1 . . . B 54 MET HE2 . 19961 1 666 . 2 2 54 54 MET HE3 H 1 2.134 0.000 . 1 . . . B 54 MET HE3 . 19961 1 667 . 2 2 54 54 MET C C 13 177.403 0.000 . 1 . . . B 54 MET C . 19961 1 668 . 2 2 54 54 MET CA C 13 58.250 0.000 . 1 . . . B 54 MET CA . 19961 1 669 . 2 2 54 54 MET CB C 13 32.677 0.000 . 1 . . . B 54 MET CB . 19961 1 670 . 2 2 54 54 MET CG C 13 33.023 0.000 . 1 . . . B 54 MET CG . 19961 1 671 . 2 2 54 54 MET CE C 13 17.115 0.000 . 1 . . . B 54 MET CE . 19961 1 672 . 2 2 54 54 MET N N 15 126.109 0.000 . 1 . . . B 54 MET N . 19961 1 673 . 2 2 55 55 ARG H H 1 8.006 0.000 . 1 . . . B 55 ARG H . 19961 1 674 . 2 2 55 55 ARG HA H 1 4.329 0.000 . 1 . . . B 55 ARG HA . 19961 1 675 . 2 2 55 55 ARG HB2 H 1 1.977 0.000 . 2 . . . B 55 ARG HB2 . 19961 1 676 . 2 2 55 55 ARG HB3 H 1 1.839 0.000 . 2 . . . B 55 ARG HB3 . 19961 1 677 . 2 2 55 55 ARG HG2 H 1 1.717 0.000 . 2 . . . B 55 ARG HG2 . 19961 1 678 . 2 2 55 55 ARG HG3 H 1 1.697 0.000 . 2 . . . B 55 ARG HG3 . 19961 1 679 . 2 2 55 55 ARG HD2 H 1 3.282 0.000 . 2 . . . B 55 ARG HD2 . 19961 1 680 . 2 2 55 55 ARG HD3 H 1 3.247 0.000 . 2 . . . B 55 ARG HD3 . 19961 1 681 . 2 2 55 55 ARG C C 13 177.363 0.000 . 1 . . . B 55 ARG C . 19961 1 682 . 2 2 55 55 ARG CA C 13 57.881 0.000 . 1 . . . B 55 ARG CA . 19961 1 683 . 2 2 55 55 ARG CB C 13 30.171 0.000 . 1 . . . B 55 ARG CB . 19961 1 684 . 2 2 55 55 ARG CG C 13 27.174 0.000 . 1 . . . B 55 ARG CG . 19961 1 685 . 2 2 55 55 ARG CD C 13 43.063 0.000 . 1 . . . B 55 ARG CD . 19961 1 686 . 2 2 55 55 ARG N N 15 114.361 0.000 . 1 . . . B 55 ARG N . 19961 1 687 . 2 2 56 56 GLN H H 1 7.826 0.000 . 1 . . . B 56 GLN H . 19961 1 688 . 2 2 56 56 GLN HA H 1 4.516 0.000 . 1 . . . B 56 GLN HA . 19961 1 689 . 2 2 56 56 GLN HB2 H 1 2.447 0.000 . 2 . . . B 56 GLN HB2 . 19961 1 690 . 2 2 56 56 GLN HB3 H 1 2.202 0.000 . 2 . . . B 56 GLN HB3 . 19961 1 691 . 2 2 56 56 GLN HG2 H 1 2.368 0.000 . 2 . . . B 56 GLN HG2 . 19961 1 692 . 2 2 56 56 GLN HG3 H 1 2.485 0.000 . 2 . . . B 56 GLN HG3 . 19961 1 693 . 2 2 56 56 GLN HE21 H 1 2.387 0.000 . 1 . . . B 56 GLN HE21 . 19961 1 694 . 2 2 56 56 GLN HE22 H 1 2.481 0.000 . 1 . . . B 56 GLN HE22 . 19961 1 695 . 2 2 56 56 GLN C C 13 175.181 0.000 . 1 . . . B 56 GLN C . 19961 1 696 . 2 2 56 56 GLN CA C 13 56.333 0.000 . 1 . . . B 56 GLN CA . 19961 1 697 . 2 2 56 56 GLN CB C 13 30.982 0.000 . 1 . . . B 56 GLN CB . 19961 1 698 . 2 2 56 56 GLN CG C 13 34.930 0.000 . 1 . . . B 56 GLN CG . 19961 1 699 . 2 2 56 56 GLN N N 15 115.649 0.000 . 1 . . . B 56 GLN N . 19961 1 700 . 2 2 56 56 GLN NE2 N 15 111.775 0.000 . 1 . . . B 56 GLN NE2 . 19961 1 701 . 2 2 57 57 ILE H H 1 7.335 0.000 . 1 . . . B 57 ILE H . 19961 1 702 . 2 2 57 57 ILE HA H 1 4.999 0.000 . 1 . . . B 57 ILE HA . 19961 1 703 . 2 2 57 57 ILE HB H 1 1.711 0.000 . 1 . . . B 57 ILE HB . 19961 1 704 . 2 2 57 57 ILE HG12 H 1 1.232 0.000 . 2 . . . B 57 ILE HG12 . 19961 1 705 . 2 2 57 57 ILE HG13 H 1 1.251 0.000 . 2 . . . B 57 ILE HG13 . 19961 1 706 . 2 2 57 57 ILE HG21 H 1 0.691 0.000 . 1 . . . B 57 ILE HG21 . 19961 1 707 . 2 2 57 57 ILE HG22 H 1 0.691 0.000 . 1 . . . B 57 ILE HG22 . 19961 1 708 . 2 2 57 57 ILE HG23 H 1 0.691 0.000 . 1 . . . B 57 ILE HG23 . 19961 1 709 . 2 2 57 57 ILE HD11 H 1 0.759 0.000 . 1 . . . B 57 ILE HD11 . 19961 1 710 . 2 2 57 57 ILE HD12 H 1 0.759 0.000 . 1 . . . B 57 ILE HD12 . 19961 1 711 . 2 2 57 57 ILE HD13 H 1 0.759 0.000 . 1 . . . B 57 ILE HD13 . 19961 1 712 . 2 2 57 57 ILE C C 13 174.240 0.000 . 1 . . . B 57 ILE C . 19961 1 713 . 2 2 57 57 ILE CA C 13 59.060 0.000 . 1 . . . B 57 ILE CA . 19961 1 714 . 2 2 57 57 ILE CB C 13 41.373 0.000 . 1 . . . B 57 ILE CB . 19961 1 715 . 2 2 57 57 ILE CG1 C 13 25.754 0.000 . 1 . . . B 57 ILE CG1 . 19961 1 716 . 2 2 57 57 ILE CG2 C 13 19.194 0.000 . 1 . . . B 57 ILE CG2 . 19961 1 717 . 2 2 57 57 ILE CD1 C 13 14.465 0.000 . 1 . . . B 57 ILE CD1 . 19961 1 718 . 2 2 57 57 ILE N N 15 115.164 0.000 . 1 . . . B 57 ILE N . 19961 1 719 . 2 2 58 58 ARG H H 1 8.469 0.000 . 1 . . . B 58 ARG H . 19961 1 720 . 2 2 58 58 ARG HA H 1 4.644 0.000 . 1 . . . B 58 ARG HA . 19961 1 721 . 2 2 58 58 ARG HB2 H 1 1.760 0.000 . 2 . . . B 58 ARG HB2 . 19961 1 722 . 2 2 58 58 ARG HB3 H 1 1.337 0.000 . 2 . . . B 58 ARG HB3 . 19961 1 723 . 2 2 58 58 ARG HG2 H 1 1.559 0.000 . 2 . . . B 58 ARG HG2 . 19961 1 724 . 2 2 58 58 ARG HG3 H 1 1.525 0.000 . 2 . . . B 58 ARG HG3 . 19961 1 725 . 2 2 58 58 ARG HD2 H 1 3.318 0.000 . 2 . . . B 58 ARG HD2 . 19961 1 726 . 2 2 58 58 ARG HD3 H 1 3.210 0.000 . 2 . . . B 58 ARG HD3 . 19961 1 727 . 2 2 58 58 ARG C C 13 173.739 0.000 . 1 . . . B 58 ARG C . 19961 1 728 . 2 2 58 58 ARG CA C 13 54.270 0.000 . 1 . . . B 58 ARG CA . 19961 1 729 . 2 2 58 58 ARG CB C 13 33.487 0.000 . 1 . . . B 58 ARG CB . 19961 1 730 . 2 2 58 58 ARG CG C 13 26.845 0.000 . 1 . . . B 58 ARG CG . 19961 1 731 . 2 2 58 58 ARG CD C 13 43.050 0.000 . 1 . . . B 58 ARG CD . 19961 1 732 . 2 2 58 58 ARG N N 15 121.208 0.000 . 1 . . . B 58 ARG N . 19961 1 733 . 2 2 59 59 PHE H H 1 9.009 0.000 . 1 . . . B 59 PHE H . 19961 1 734 . 2 2 59 59 PHE HA H 1 5.402 0.000 . 1 . . . B 59 PHE HA . 19961 1 735 . 2 2 59 59 PHE HB2 H 1 2.951 0.000 . 2 . . . B 59 PHE HB2 . 19961 1 736 . 2 2 59 59 PHE HB3 H 1 2.675 0.000 . 2 . . . B 59 PHE HB3 . 19961 1 737 . 2 2 59 59 PHE HD1 H 1 7.102 0.000 . 1 . . . B 59 PHE HD1 . 19961 1 738 . 2 2 59 59 PHE HD2 H 1 7.102 0.000 . 1 . . . B 59 PHE HD2 . 19961 1 739 . 2 2 59 59 PHE HE1 H 1 6.906 0.000 . 1 . . . B 59 PHE HE1 . 19961 1 740 . 2 2 59 59 PHE HE2 H 1 6.906 0.000 . 1 . . . B 59 PHE HE2 . 19961 1 741 . 2 2 59 59 PHE HZ H 1 7.249 0.000 . 1 . . . B 59 PHE HZ . 19961 1 742 . 2 2 59 59 PHE C C 13 176.042 0.000 . 1 . . . B 59 PHE C . 19961 1 743 . 2 2 59 59 PHE CA C 13 56.407 0.000 . 1 . . . B 59 PHE CA . 19961 1 744 . 2 2 59 59 PHE CB C 13 41.668 0.000 . 1 . . . B 59 PHE CB . 19961 1 745 . 2 2 59 59 PHE CD1 C 13 132.481 0.000 . 1 . . . B 59 PHE CD1 . 19961 1 746 . 2 2 59 59 PHE CD2 C 13 132.481 0.000 . 1 . . . B 59 PHE CD2 . 19961 1 747 . 2 2 59 59 PHE CE1 C 13 130.840 0.000 . 1 . . . B 59 PHE CE1 . 19961 1 748 . 2 2 59 59 PHE CE2 C 13 130.840 0.000 . 1 . . . B 59 PHE CE2 . 19961 1 749 . 2 2 59 59 PHE CZ C 13 129.747 0.000 . 1 . . . B 59 PHE CZ . 19961 1 750 . 2 2 59 59 PHE N N 15 120.155 0.000 . 1 . . . B 59 PHE N . 19961 1 751 . 2 2 60 60 ARG H H 1 9.534 0.000 . 1 . . . B 60 ARG H . 19961 1 752 . 2 2 60 60 ARG HA H 1 5.284 0.000 . 1 . . . B 60 ARG HA . 19961 1 753 . 2 2 60 60 ARG HB2 H 1 1.780 0.000 . 2 . . . B 60 ARG HB2 . 19961 1 754 . 2 2 60 60 ARG HB3 H 1 1.622 0.000 . 2 . . . B 60 ARG HB3 . 19961 1 755 . 2 2 60 60 ARG HG2 H 1 1.474 0.000 . 2 . . . B 60 ARG HG2 . 19961 1 756 . 2 2 60 60 ARG HG3 H 1 1.346 0.000 . 2 . . . B 60 ARG HG3 . 19961 1 757 . 2 2 60 60 ARG HD2 H 1 2.753 0.000 . 2 . . . B 60 ARG HD2 . 19961 1 758 . 2 2 60 60 ARG HD3 H 1 2.784 0.000 . 2 . . . B 60 ARG HD3 . 19961 1 759 . 2 2 60 60 ARG C C 13 173.779 0.000 . 1 . . . B 60 ARG C . 19961 1 760 . 2 2 60 60 ARG CA C 13 54.933 0.000 . 1 . . . B 60 ARG CA . 19961 1 761 . 2 2 60 60 ARG CB C 13 35.919 0.000 . 1 . . . B 60 ARG CB . 19961 1 762 . 2 2 60 60 ARG CG C 13 27.645 0.000 . 1 . . . B 60 ARG CG . 19961 1 763 . 2 2 60 60 ARG CD C 13 43.574 0.000 . 1 . . . B 60 ARG CD . 19961 1 764 . 2 2 60 60 ARG N N 15 121.864 0.000 . 1 . . . B 60 ARG N . 19961 1 765 . 2 2 61 61 PHE H H 1 9.013 0.000 . 1 . . . B 61 PHE H . 19961 1 766 . 2 2 61 61 PHE HA H 1 5.373 0.000 . 1 . . . B 61 PHE HA . 19961 1 767 . 2 2 61 61 PHE HB2 H 1 3.010 0.000 . 2 . . . B 61 PHE HB2 . 19961 1 768 . 2 2 61 61 PHE HB3 H 1 2.892 0.000 . 2 . . . B 61 PHE HB3 . 19961 1 769 . 2 2 61 61 PHE HD1 H 1 7.407 0.000 . 1 . . . B 61 PHE HD1 . 19961 1 770 . 2 2 61 61 PHE HD2 H 1 7.407 0.000 . 1 . . . B 61 PHE HD2 . 19961 1 771 . 2 2 61 61 PHE C C 13 175.161 0.000 . 1 . . . B 61 PHE C . 19961 1 772 . 2 2 61 61 PHE CA C 13 55.891 0.000 . 1 . . . B 61 PHE CA . 19961 1 773 . 2 2 61 61 PHE CB C 13 42.331 0.000 . 1 . . . B 61 PHE CB . 19961 1 774 . 2 2 61 61 PHE CD1 C 13 131.934 0.000 . 1 . . . B 61 PHE CD1 . 19961 1 775 . 2 2 61 61 PHE CD2 C 13 131.934 0.000 . 1 . . . B 61 PHE CD2 . 19961 1 776 . 2 2 61 61 PHE N N 15 120.549 0.000 . 1 . . . B 61 PHE N . 19961 1 777 . 2 2 62 62 ASP H H 1 9.434 0.000 . 1 . . . B 62 ASP H . 19961 1 778 . 2 2 62 62 ASP HA H 1 4.083 0.000 . 1 . . . B 62 ASP HA . 19961 1 779 . 2 2 62 62 ASP HB2 H 1 2.705 0.000 . 2 . . . B 62 ASP HB2 . 19961 1 780 . 2 2 62 62 ASP HB3 H 1 1.474 0.000 . 2 . . . B 62 ASP HB3 . 19961 1 781 . 2 2 62 62 ASP C C 13 175.962 0.000 . 1 . . . B 62 ASP C . 19961 1 782 . 2 2 62 62 ASP CA C 13 54.712 0.000 . 1 . . . B 62 ASP CA . 19961 1 783 . 2 2 62 62 ASP CB C 13 39.236 0.000 . 1 . . . B 62 ASP CB . 19961 1 784 . 2 2 62 62 ASP N N 15 109.043 0.000 . 1 . . . B 62 ASP N . 19961 1 785 . 2 2 63 63 GLY H H 1 8.658 0.000 . 1 . . . B 63 GLY H . 19961 1 786 . 2 2 63 63 GLY HA2 H 1 4.201 0.000 . 2 . . . B 63 GLY HA2 . 19961 1 787 . 2 2 63 63 GLY HA3 H 1 3.522 0.000 . 2 . . . B 63 GLY HA3 . 19961 1 788 . 2 2 63 63 GLY C C 13 173.999 0.000 . 1 . . . B 63 GLY C . 19961 1 789 . 2 2 63 63 GLY CA C 13 45.426 0.000 . 1 . . . B 63 GLY CA . 19961 1 790 . 2 2 63 63 GLY N N 15 125.457 0.000 . 1 . . . B 63 GLY N . 19961 1 791 . 2 2 64 64 GLN H H 1 7.918 0.000 . 1 . . . B 64 GLN H . 19961 1 792 . 2 2 64 64 GLN HA H 1 4.969 0.000 . 1 . . . B 64 GLN HA . 19961 1 793 . 2 2 64 64 GLN HB2 H 1 2.263 0.000 . 2 . . . B 64 GLN HB2 . 19961 1 794 . 2 2 64 64 GLN HB3 H 1 2.118 0.000 . 2 . . . B 64 GLN HB3 . 19961 1 795 . 2 2 64 64 GLN HG2 H 1 2.479 0.000 . 2 . . . B 64 GLN HG2 . 19961 1 796 . 2 2 64 64 GLN HG3 H 1 2.411 0.000 . 2 . . . B 64 GLN HG3 . 19961 1 797 . 2 2 64 64 GLN HE21 H 1 6.876 0.000 . 1 . . . B 64 GLN HE21 . 19961 1 798 . 2 2 64 64 GLN HE22 H 1 7.523 0.000 . 1 . . . B 64 GLN HE22 . 19961 1 799 . 2 2 64 64 GLN C C 13 173.338 0.000 . 1 . . . B 64 GLN C . 19961 1 800 . 2 2 64 64 GLN CA C 13 52.575 0.000 . 1 . . . B 64 GLN CA . 19961 1 801 . 2 2 64 64 GLN CB C 13 30.171 0.000 . 1 . . . B 64 GLN CB . 19961 1 802 . 2 2 64 64 GLN CG C 13 33.061 0.000 . 1 . . . B 64 GLN CG . 19961 1 803 . 2 2 64 64 GLN N N 15 120.818 0.000 . 1 . . . B 64 GLN N . 19961 1 804 . 2 2 64 64 GLN NE2 N 15 112.134 0.000 . 1 . . . B 64 GLN NE2 . 19961 1 805 . 2 2 65 65 PRO HA H 1 4.792 0.000 . 1 . . . B 65 PRO HA . 19961 1 806 . 2 2 65 65 PRO HB2 H 1 2.400 0.000 . 2 . . . B 65 PRO HB2 . 19961 1 807 . 2 2 65 65 PRO HB3 H 1 2.006 0.000 . 2 . . . B 65 PRO HB3 . 19961 1 808 . 2 2 65 65 PRO HG2 H 1 2.018 0.000 . 2 . . . B 65 PRO HG2 . 19961 1 809 . 2 2 65 65 PRO HG3 H 1 2.067 0.000 . 2 . . . B 65 PRO HG3 . 19961 1 810 . 2 2 65 65 PRO HD2 H 1 3.857 0.000 . 2 . . . B 65 PRO HD2 . 19961 1 811 . 2 2 65 65 PRO HD3 H 1 3.663 0.000 . 2 . . . B 65 PRO HD3 . 19961 1 812 . 2 2 65 65 PRO C C 13 176.402 0.000 . 1 . . . B 65 PRO C . 19961 1 813 . 2 2 65 65 PRO CA C 13 63.114 0.000 . 1 . . . B 65 PRO CA . 19961 1 814 . 2 2 65 65 PRO CB C 13 32.234 0.000 . 1 . . . B 65 PRO CB . 19961 1 815 . 2 2 65 65 PRO CG C 13 27.652 0.000 . 1 . . . B 65 PRO CG . 19961 1 816 . 2 2 65 65 PRO CD C 13 50.916 0.000 . 1 . . . B 65 PRO CD . 19961 1 817 . 2 2 66 66 ILE H H 1 7.910 0.000 . 1 . . . B 66 ILE H . 19961 1 818 . 2 2 66 66 ILE HA H 1 4.467 0.000 . 1 . . . B 66 ILE HA . 19961 1 819 . 2 2 66 66 ILE HB H 1 1.740 0.000 . 1 . . . B 66 ILE HB . 19961 1 820 . 2 2 66 66 ILE HG12 H 1 1.464 0.000 . 2 . . . B 66 ILE HG12 . 19961 1 821 . 2 2 66 66 ILE HG13 H 1 0.919 0.000 . 2 . . . B 66 ILE HG13 . 19961 1 822 . 2 2 66 66 ILE HG21 H 1 0.931 0.000 . 1 . . . B 66 ILE HG21 . 19961 1 823 . 2 2 66 66 ILE HG22 H 1 0.931 0.000 . 1 . . . B 66 ILE HG22 . 19961 1 824 . 2 2 66 66 ILE HG23 H 1 0.931 0.000 . 1 . . . B 66 ILE HG23 . 19961 1 825 . 2 2 66 66 ILE HD11 H 1 0.701 0.000 . 1 . . . B 66 ILE HD11 . 19961 1 826 . 2 2 66 66 ILE HD12 H 1 0.701 0.000 . 1 . . . B 66 ILE HD12 . 19961 1 827 . 2 2 66 66 ILE HD13 H 1 0.701 0.000 . 1 . . . B 66 ILE HD13 . 19961 1 828 . 2 2 66 66 ILE C C 13 175.141 0.000 . 1 . . . B 66 ILE C . 19961 1 829 . 2 2 66 66 ILE CA C 13 60.313 0.000 . 1 . . . B 66 ILE CA . 19961 1 830 . 2 2 66 66 ILE CB C 13 40.415 0.000 . 1 . . . B 66 ILE CB . 19961 1 831 . 2 2 66 66 ILE CG1 C 13 26.658 0.000 . 1 . . . B 66 ILE CG1 . 19961 1 832 . 2 2 66 66 ILE CG2 C 13 19.496 0.000 . 1 . . . B 66 ILE CG2 . 19961 1 833 . 2 2 66 66 ILE CD1 C 13 14.978 0.000 . 1 . . . B 66 ILE CD1 . 19961 1 834 . 2 2 66 66 ILE N N 15 119.457 0.000 . 1 . . . B 66 ILE N . 19961 1 835 . 2 2 67 67 ASN H H 1 9.227 0.000 . 1 . . . B 67 ASN H . 19961 1 836 . 2 2 67 67 ASN HA H 1 5.038 0.000 . 1 . . . B 67 ASN HA . 19961 1 837 . 2 2 67 67 ASN HB2 H 1 2.843 0.000 . 2 . . . B 67 ASN HB2 . 19961 1 838 . 2 2 67 67 ASN HB3 H 1 2.695 0.000 . 2 . . . B 67 ASN HB3 . 19961 1 839 . 2 2 67 67 ASN HD21 H 1 7.970 0.000 . 1 . . . B 67 ASN HD21 . 19961 1 840 . 2 2 67 67 ASN HD22 H 1 6.956 0.000 . 1 . . . B 67 ASN HD22 . 19961 1 841 . 2 2 67 67 ASN C C 13 176.082 0.000 . 1 . . . B 67 ASN C . 19961 1 842 . 2 2 67 67 ASN CA C 13 52.206 0.000 . 1 . . . B 67 ASN CA . 19961 1 843 . 2 2 67 67 ASN CB C 13 41.226 0.000 . 1 . . . B 67 ASN CB . 19961 1 844 . 2 2 67 67 ASN N N 15 124.006 0.000 . 1 . . . B 67 ASN N . 19961 1 845 . 2 2 67 67 ASN ND2 N 15 116.267 0.000 . 1 . . . B 67 ASN ND2 . 19961 1 846 . 2 2 68 68 GLU H H 1 9.067 0.000 . 1 . . . B 68 GLU H . 19961 1 847 . 2 2 68 68 GLU HA H 1 3.817 0.000 . 1 . . . B 68 GLU HA . 19961 1 848 . 2 2 68 68 GLU HB2 H 1 2.110 0.000 . 2 . . . B 68 GLU HB2 . 19961 1 849 . 2 2 68 68 GLU HB3 H 1 2.065 0.000 . 2 . . . B 68 GLU HB3 . 19961 1 850 . 2 2 68 68 GLU HG2 H 1 2.372 0.000 . 2 . . . B 68 GLU HG2 . 19961 1 851 . 2 2 68 68 GLU HG3 H 1 2.305 0.000 . 2 . . . B 68 GLU HG3 . 19961 1 852 . 2 2 68 68 GLU C C 13 175.922 0.000 . 1 . . . B 68 GLU C . 19961 1 853 . 2 2 68 68 GLU CA C 13 59.945 0.000 . 1 . . . B 68 GLU CA . 19961 1 854 . 2 2 68 68 GLU CB C 13 30.687 0.000 . 1 . . . B 68 GLU CB . 19961 1 855 . 2 2 68 68 GLU CG C 13 37.577 0.000 . 1 . . . B 68 GLU CG . 19961 1 856 . 2 2 68 68 GLU N N 15 120.115 0.000 . 1 . . . B 68 GLU N . 19961 1 857 . 2 2 69 69 THR H H 1 7.244 0.000 . 1 . . . B 69 THR H . 19961 1 858 . 2 2 69 69 THR HA H 1 4.231 0.000 . 1 . . . B 69 THR HA . 19961 1 859 . 2 2 69 69 THR HB H 1 4.540 0.000 . 1 . . . B 69 THR HB . 19961 1 860 . 2 2 69 69 THR HG21 H 1 1.219 0.000 . 1 . . . B 69 THR HG21 . 19961 1 861 . 2 2 69 69 THR HG22 H 1 1.219 0.000 . 1 . . . B 69 THR HG22 . 19961 1 862 . 2 2 69 69 THR HG23 H 1 1.219 0.000 . 1 . . . B 69 THR HG23 . 19961 1 863 . 2 2 69 69 THR C C 13 175.161 0.000 . 1 . . . B 69 THR C . 19961 1 864 . 2 2 69 69 THR CA C 13 61.713 0.000 . 1 . . . B 69 THR CA . 19961 1 865 . 2 2 69 69 THR CB C 13 69.452 0.000 . 1 . . . B 69 THR CB . 19961 1 866 . 2 2 69 69 THR CG2 C 13 21.840 0.000 . 1 . . . B 69 THR CG2 . 19961 1 867 . 2 2 69 69 THR N N 15 125.213 0.000 . 1 . . . B 69 THR N . 19961 1 868 . 2 2 70 70 ASP H H 1 7.553 0.000 . 1 . . . B 70 ASP H . 19961 1 869 . 2 2 70 70 ASP HA H 1 4.841 0.000 . 1 . . . B 70 ASP HA . 19961 1 870 . 2 2 70 70 ASP HB2 H 1 2.479 0.000 . 2 . . . B 70 ASP HB2 . 19961 1 871 . 2 2 70 70 ASP HB3 H 1 2.931 0.000 . 2 . . . B 70 ASP HB3 . 19961 1 872 . 2 2 70 70 ASP C C 13 175.121 0.000 . 1 . . . B 70 ASP C . 19961 1 873 . 2 2 70 70 ASP CA C 13 55.523 0.000 . 1 . . . B 70 ASP CA . 19961 1 874 . 2 2 70 70 ASP CB C 13 42.110 0.000 . 1 . . . B 70 ASP CB . 19961 1 875 . 2 2 70 70 ASP N N 15 123.216 0.000 . 1 . . . B 70 ASP N . 19961 1 876 . 2 2 71 71 THR H H 1 7.393 0.000 . 1 . . . B 71 THR H . 19961 1 877 . 2 2 71 71 THR HA H 1 5.119 0.000 . 1 . . . B 71 THR HA . 19961 1 878 . 2 2 71 71 THR HB H 1 4.461 0.000 . 1 . . . B 71 THR HB . 19961 1 879 . 2 2 71 71 THR HG21 H 1 1.037 0.000 . 1 . . . B 71 THR HG21 . 19961 1 880 . 2 2 71 71 THR HG22 H 1 1.037 0.000 . 1 . . . B 71 THR HG22 . 19961 1 881 . 2 2 71 71 THR HG23 H 1 1.037 0.000 . 1 . . . B 71 THR HG23 . 19961 1 882 . 2 2 71 71 THR C C 13 173.418 0.000 . 1 . . . B 71 THR C . 19961 1 883 . 2 2 71 71 THR CA C 13 57.660 0.000 . 1 . . . B 71 THR CA . 19961 1 884 . 2 2 71 71 THR CB C 13 69.673 0.000 . 1 . . . B 71 THR CB . 19961 1 885 . 2 2 71 71 THR CG2 C 13 21.104 0.000 . 1 . . . B 71 THR CG2 . 19961 1 886 . 2 2 71 71 THR N N 15 108.459 0.000 . 1 . . . B 71 THR N . 19961 1 887 . 2 2 72 72 PRO HA H 1 4.290 0.000 . 1 . . . B 72 PRO HA . 19961 1 888 . 2 2 72 72 PRO HB2 H 1 2.173 0.000 . 2 . . . B 72 PRO HB2 . 19961 1 889 . 2 2 72 72 PRO HB3 H 1 1.888 0.000 . 2 . . . B 72 PRO HB3 . 19961 1 890 . 2 2 72 72 PRO HG2 H 1 2.108 0.000 . 2 . . . B 72 PRO HG2 . 19961 1 891 . 2 2 72 72 PRO HG3 H 1 2.130 0.000 . 2 . . . B 72 PRO HG3 . 19961 1 892 . 2 2 72 72 PRO HD2 H 1 3.800 0.000 . 2 . . . B 72 PRO HD2 . 19961 1 893 . 2 2 72 72 PRO HD3 H 1 4.020 0.000 . 2 . . . B 72 PRO HD3 . 19961 1 894 . 2 2 72 72 PRO C C 13 178.765 0.000 . 1 . . . B 72 PRO C . 19961 1 895 . 2 2 72 72 PRO CA C 13 65.693 0.000 . 1 . . . B 72 PRO CA . 19961 1 896 . 2 2 72 72 PRO CB C 13 32.234 0.000 . 1 . . . B 72 PRO CB . 19961 1 897 . 2 2 72 72 PRO CG C 13 28.110 0.000 . 1 . . . B 72 PRO CG . 19961 1 898 . 2 2 72 72 PRO CD C 13 51.300 0.000 . 1 . . . B 72 PRO CD . 19961 1 899 . 2 2 73 73 ALA H H 1 8.234 0.000 . 1 . . . B 73 ALA H . 19961 1 900 . 2 2 73 73 ALA HA H 1 4.103 0.000 . 1 . . . B 73 ALA HA . 19961 1 901 . 2 2 73 73 ALA HB1 H 1 1.091 0.000 . 1 . . . B 73 ALA HB1 . 19961 1 902 . 2 2 73 73 ALA HB2 H 1 1.091 0.000 . 1 . . . B 73 ALA HB2 . 19961 1 903 . 2 2 73 73 ALA HB3 H 1 1.091 0.000 . 1 . . . B 73 ALA HB3 . 19961 1 904 . 2 2 73 73 ALA C C 13 181.348 0.000 . 1 . . . B 73 ALA C . 19961 1 905 . 2 2 73 73 ALA CA C 13 54.712 0.000 . 1 . . . B 73 ALA CA . 19961 1 906 . 2 2 73 73 ALA CB C 13 18.379 0.000 . 1 . . . B 73 ALA CB . 19961 1 907 . 2 2 73 73 ALA N N 15 116.885 0.000 . 1 . . . B 73 ALA N . 19961 1 908 . 2 2 74 74 GLN H H 1 7.955 0.000 . 1 . . . B 74 GLN H . 19961 1 909 . 2 2 74 74 GLN HA H 1 4.103 0.000 . 1 . . . B 74 GLN HA . 19961 1 910 . 2 2 74 74 GLN HB2 H 1 2.331 0.000 . 2 . . . B 74 GLN HB2 . 19961 1 911 . 2 2 74 74 GLN HB3 H 1 2.213 0.000 . 2 . . . B 74 GLN HB3 . 19961 1 912 . 2 2 74 74 GLN HG2 H 1 2.512 0.000 . 2 . . . B 74 GLN HG2 . 19961 1 913 . 2 2 74 74 GLN HG3 H 1 2.493 0.000 . 2 . . . B 74 GLN HG3 . 19961 1 914 . 2 2 74 74 GLN HE21 H 1 7.469 0.000 . 1 . . . B 74 GLN HE21 . 19961 1 915 . 2 2 74 74 GLN HE22 H 1 6.764 0.000 . 1 . . . B 74 GLN HE22 . 19961 1 916 . 2 2 74 74 GLN C C 13 177.864 0.000 . 1 . . . B 74 GLN C . 19961 1 917 . 2 2 74 74 GLN CA C 13 58.618 0.000 . 1 . . . B 74 GLN CA . 19961 1 918 . 2 2 74 74 GLN CB C 13 28.918 0.000 . 1 . . . B 74 GLN CB . 19961 1 919 . 2 2 74 74 GLN CG C 13 33.844 0.000 . 1 . . . B 74 GLN CG . 19961 1 920 . 2 2 74 74 GLN N N 15 119.961 0.000 . 1 . . . B 74 GLN N . 19961 1 921 . 2 2 74 74 GLN NE2 N 15 110.517 0.000 . 1 . . . B 74 GLN NE2 . 19961 1 922 . 2 2 75 75 LEU H H 1 7.420 0.000 . 1 . . . B 75 LEU H . 19961 1 923 . 2 2 75 75 LEU HA H 1 4.398 0.000 . 1 . . . B 75 LEU HA . 19961 1 924 . 2 2 75 75 LEU HB2 H 1 1.740 0.000 . 2 . . . B 75 LEU HB2 . 19961 1 925 . 2 2 75 75 LEU HB3 H 1 1.593 0.000 . 2 . . . B 75 LEU HB3 . 19961 1 926 . 2 2 75 75 LEU HG H 1 0.849 0.000 . 1 . . . B 75 LEU HG . 19961 1 927 . 2 2 75 75 LEU HD11 H 1 0.850 0.000 . 2 . . . B 75 LEU HD11 . 19961 1 928 . 2 2 75 75 LEU HD12 H 1 0.850 0.000 . 2 . . . B 75 LEU HD12 . 19961 1 929 . 2 2 75 75 LEU HD13 H 1 0.850 0.000 . 2 . . . B 75 LEU HD13 . 19961 1 930 . 2 2 75 75 LEU HD21 H 1 0.949 0.000 . 2 . . . B 75 LEU HD21 . 19961 1 931 . 2 2 75 75 LEU HD22 H 1 0.949 0.000 . 2 . . . B 75 LEU HD22 . 19961 1 932 . 2 2 75 75 LEU HD23 H 1 0.949 0.000 . 2 . . . B 75 LEU HD23 . 19961 1 933 . 2 2 75 75 LEU C C 13 174.760 0.000 . 1 . . . B 75 LEU C . 19961 1 934 . 2 2 75 75 LEU CA C 13 54.638 0.000 . 1 . . . B 75 LEU CA . 19961 1 935 . 2 2 75 75 LEU CB C 13 42.405 0.000 . 1 . . . B 75 LEU CB . 19961 1 936 . 2 2 75 75 LEU CG C 13 26.230 0.000 . 1 . . . B 75 LEU CG . 19961 1 937 . 2 2 75 75 LEU CD1 C 13 26.164 0.000 . 2 . . . B 75 LEU CD1 . 19961 1 938 . 2 2 75 75 LEU CD2 C 13 22.208 0.000 . 2 . . . B 75 LEU CD2 . 19961 1 939 . 2 2 75 75 LEU N N 15 117.004 0.000 . 1 . . . B 75 LEU N . 19961 1 940 . 2 2 76 76 GLU H H 1 7.714 0.000 . 1 . . . B 76 GLU H . 19961 1 941 . 2 2 76 76 GLU HA H 1 3.844 0.000 . 1 . . . B 76 GLU HA . 19961 1 942 . 2 2 76 76 GLU HB2 H 1 2.351 0.000 . 2 . . . B 76 GLU HB2 . 19961 1 943 . 2 2 76 76 GLU HB3 H 1 2.252 0.000 . 2 . . . B 76 GLU HB3 . 19961 1 944 . 2 2 76 76 GLU HG2 H 1 2.229 0.000 . 2 . . . B 76 GLU HG2 . 19961 1 945 . 2 2 76 76 GLU HG3 H 1 2.203 0.000 . 2 . . . B 76 GLU HG3 . 19961 1 946 . 2 2 76 76 GLU C C 13 176.102 0.000 . 1 . . . B 76 GLU C . 19961 1 947 . 2 2 76 76 GLU CA C 13 57.365 0.000 . 1 . . . B 76 GLU CA . 19961 1 948 . 2 2 76 76 GLU CB C 13 26.486 0.000 . 1 . . . B 76 GLU CB . 19961 1 949 . 2 2 76 76 GLU CG C 13 36.740 0.000 . 1 . . . B 76 GLU CG . 19961 1 950 . 2 2 76 76 GLU N N 15 114.234 0.000 . 1 . . . B 76 GLU N . 19961 1 951 . 2 2 77 77 MET H H 1 7.749 0.000 . 1 . . . B 77 MET H . 19961 1 952 . 2 2 77 77 MET HA H 1 4.270 0.000 . 1 . . . B 77 MET HA . 19961 1 953 . 2 2 77 77 MET HB2 H 1 1.829 0.000 . 2 . . . B 77 MET HB2 . 19961 1 954 . 2 2 77 77 MET HB3 H 1 1.327 0.000 . 2 . . . B 77 MET HB3 . 19961 1 955 . 2 2 77 77 MET HG2 H 1 1.360 0.000 . 1 . . . B 77 MET HG2 . 19961 1 956 . 2 2 77 77 MET HG3 H 1 1.360 0.000 . 1 . . . B 77 MET HG3 . 19961 1 957 . 2 2 77 77 MET HE1 H 1 1.211 0.000 . 1 . . . B 77 MET HE1 . 19961 1 958 . 2 2 77 77 MET HE2 H 1 1.211 0.000 . 1 . . . B 77 MET HE2 . 19961 1 959 . 2 2 77 77 MET HE3 H 1 1.211 0.000 . 1 . . . B 77 MET HE3 . 19961 1 960 . 2 2 77 77 MET C C 13 175.201 0.000 . 1 . . . B 77 MET C . 19961 1 961 . 2 2 77 77 MET CA C 13 56.867 0.000 . 1 . . . B 77 MET CA . 19961 1 962 . 2 2 77 77 MET CB C 13 35.035 0.000 . 1 . . . B 77 MET CB . 19961 1 963 . 2 2 77 77 MET CG C 13 33.570 0.000 . 1 . . . B 77 MET CG . 19961 1 964 . 2 2 77 77 MET CE C 13 18.394 0.000 . 1 . . . B 77 MET CE . 19961 1 965 . 2 2 77 77 MET N N 15 116.557 0.000 . 1 . . . B 77 MET N . 19961 1 966 . 2 2 78 78 GLU H H 1 9.397 0.000 . 1 . . . B 78 GLU H . 19961 1 967 . 2 2 78 78 GLU HA H 1 4.575 0.000 . 1 . . . B 78 GLU HA . 19961 1 968 . 2 2 78 78 GLU HB2 H 1 2.154 0.000 . 2 . . . B 78 GLU HB2 . 19961 1 969 . 2 2 78 78 GLU HB3 H 1 1.858 0.000 . 2 . . . B 78 GLU HB3 . 19961 1 970 . 2 2 78 78 GLU HG2 H 1 2.421 0.000 . 2 . . . B 78 GLU HG2 . 19961 1 971 . 2 2 78 78 GLU HG3 H 1 2.274 0.000 . 2 . . . B 78 GLU HG3 . 19961 1 972 . 2 2 78 78 GLU C C 13 174.640 0.000 . 1 . . . B 78 GLU C . 19961 1 973 . 2 2 78 78 GLU CA C 13 53.901 0.000 . 1 . . . B 78 GLU CA . 19961 1 974 . 2 2 78 78 GLU CB C 13 33.193 0.000 . 1 . . . B 78 GLU CB . 19961 1 975 . 2 2 78 78 GLU CG C 13 35.923 0.000 . 1 . . . B 78 GLU CG . 19961 1 976 . 2 2 78 78 GLU N N 15 122.134 0.000 . 1 . . . B 78 GLU N . 19961 1 977 . 2 2 79 79 ASP H H 1 8.422 0.000 . 1 . . . B 79 ASP H . 19961 1 978 . 2 2 79 79 ASP HA H 1 4.605 0.000 . 1 . . . B 79 ASP HA . 19961 1 979 . 2 2 79 79 ASP HB2 H 1 2.732 0.000 . 2 . . . B 79 ASP HB2 . 19961 1 980 . 2 2 79 79 ASP HB3 H 1 2.675 0.000 . 2 . . . B 79 ASP HB3 . 19961 1 981 . 2 2 79 79 ASP C C 13 177.444 0.000 . 1 . . . B 79 ASP C . 19961 1 982 . 2 2 79 79 ASP CA C 13 57.070 0.000 . 1 . . . B 79 ASP CA . 19961 1 983 . 2 2 79 79 ASP CB C 13 42.110 0.000 . 1 . . . B 79 ASP CB . 19961 1 984 . 2 2 79 79 ASP N N 15 118.227 0.000 . 1 . . . B 79 ASP N . 19961 1 985 . 2 2 80 80 GLU H H 1 9.474 0.000 . 1 . . . B 80 GLU H . 19961 1 986 . 2 2 80 80 GLU HA H 1 3.768 0.000 . 1 . . . B 80 GLU HA . 19961 1 987 . 2 2 80 80 GLU HB2 H 1 2.518 0.000 . 2 . . . B 80 GLU HB2 . 19961 1 988 . 2 2 80 80 GLU HB3 H 1 2.321 0.000 . 2 . . . B 80 GLU HB3 . 19961 1 989 . 2 2 80 80 GLU HG2 H 1 2.342 0.000 . 2 . . . B 80 GLU HG2 . 19961 1 990 . 2 2 80 80 GLU HG3 H 1 2.114 0.000 . 2 . . . B 80 GLU HG3 . 19961 1 991 . 2 2 80 80 GLU C C 13 175.621 0.000 . 1 . . . B 80 GLU C . 19961 1 992 . 2 2 80 80 GLU CA C 13 58.544 0.000 . 1 . . . B 80 GLU CA . 19961 1 993 . 2 2 80 80 GLU CB C 13 26.412 0.000 . 1 . . . B 80 GLU CB . 19961 1 994 . 2 2 80 80 GLU CG C 13 36.226 0.000 . 1 . . . B 80 GLU CG . 19961 1 995 . 2 2 80 80 GLU N N 15 116.185 0.000 . 1 . . . B 80 GLU N . 19961 1 996 . 2 2 81 81 ASP H H 1 8.047 0.000 . 1 . . . B 81 ASP H . 19961 1 997 . 2 2 81 81 ASP HA H 1 4.930 0.000 . 1 . . . B 81 ASP HA . 19961 1 998 . 2 2 81 81 ASP HB2 H 1 3.030 0.000 . 2 . . . B 81 ASP HB2 . 19961 1 999 . 2 2 81 81 ASP HB3 H 1 2.725 0.000 . 2 . . . B 81 ASP HB3 . 19961 1 1000 . 2 2 81 81 ASP C C 13 174.620 0.000 . 1 . . . B 81 ASP C . 19961 1 1001 . 2 2 81 81 ASP CA C 13 55.965 0.000 . 1 . . . B 81 ASP CA . 19961 1 1002 . 2 2 81 81 ASP CB C 13 42.110 0.000 . 1 . . . B 81 ASP CB . 19961 1 1003 . 2 2 81 81 ASP N N 15 120.712 0.000 . 1 . . . B 81 ASP N . 19961 1 1004 . 2 2 82 82 THR H H 1 8.389 0.000 . 1 . . . B 82 THR H . 19961 1 1005 . 2 2 82 82 THR HA H 1 5.245 0.000 . 1 . . . B 82 THR HA . 19961 1 1006 . 2 2 82 82 THR HB H 1 4.014 0.000 . 1 . . . B 82 THR HB . 19961 1 1007 . 2 2 82 82 THR HG21 H 1 1.147 0.000 . 1 . . . B 82 THR HG21 . 19961 1 1008 . 2 2 82 82 THR HG22 H 1 1.147 0.000 . 1 . . . B 82 THR HG22 . 19961 1 1009 . 2 2 82 82 THR HG23 H 1 1.147 0.000 . 1 . . . B 82 THR HG23 . 19961 1 1010 . 2 2 82 82 THR C C 13 174.079 0.000 . 1 . . . B 82 THR C . 19961 1 1011 . 2 2 82 82 THR CA C 13 62.450 0.000 . 1 . . . B 82 THR CA . 19961 1 1012 . 2 2 82 82 THR CB C 13 71.515 0.000 . 1 . . . B 82 THR CB . 19961 1 1013 . 2 2 82 82 THR CG2 C 13 22.245 0.000 . 1 . . . B 82 THR CG2 . 19961 1 1014 . 2 2 82 82 THR N N 15 113.650 0.000 . 1 . . . B 82 THR N . 19961 1 1015 . 2 2 83 83 ILE H H 1 9.441 0.000 . 1 . . . B 83 ILE H . 19961 1 1016 . 2 2 83 83 ILE HA H 1 4.634 0.000 . 1 . . . B 83 ILE HA . 19961 1 1017 . 2 2 83 83 ILE HB H 1 1.809 0.000 . 1 . . . B 83 ILE HB . 19961 1 1018 . 2 2 83 83 ILE HG12 H 1 1.672 0.000 . 2 . . . B 83 ILE HG12 . 19961 1 1019 . 2 2 83 83 ILE HG13 H 1 1.673 0.000 . 2 . . . B 83 ILE HG13 . 19961 1 1020 . 2 2 83 83 ILE HG21 H 1 0.997 0.000 . 1 . . . B 83 ILE HG21 . 19961 1 1021 . 2 2 83 83 ILE HG22 H 1 0.997 0.000 . 1 . . . B 83 ILE HG22 . 19961 1 1022 . 2 2 83 83 ILE HG23 H 1 0.997 0.000 . 1 . . . B 83 ILE HG23 . 19961 1 1023 . 2 2 83 83 ILE HD11 H 1 0.634 0.000 . 1 . . . B 83 ILE HD11 . 19961 1 1024 . 2 2 83 83 ILE HD12 H 1 0.634 0.000 . 1 . . . B 83 ILE HD12 . 19961 1 1025 . 2 2 83 83 ILE HD13 H 1 0.634 0.000 . 1 . . . B 83 ILE HD13 . 19961 1 1026 . 2 2 83 83 ILE C C 13 173.719 0.000 . 1 . . . B 83 ILE C . 19961 1 1027 . 2 2 83 83 ILE CA C 13 60.534 0.000 . 1 . . . B 83 ILE CA . 19961 1 1028 . 2 2 83 83 ILE CB C 13 41.299 0.000 . 1 . . . B 83 ILE CB . 19961 1 1029 . 2 2 83 83 ILE CG1 C 13 28.066 0.000 . 1 . . . B 83 ILE CG1 . 19961 1 1030 . 2 2 83 83 ILE CG2 C 13 18.636 0.000 . 1 . . . B 83 ILE CG2 . 19961 1 1031 . 2 2 83 83 ILE CD1 C 13 14.707 0.000 . 1 . . . B 83 ILE CD1 . 19961 1 1032 . 2 2 83 83 ILE N N 15 127.255 0.000 . 1 . . . B 83 ILE N . 19961 1 1033 . 2 2 84 84 ASP H H 1 9.011 0.000 . 1 . . . B 84 ASP H . 19961 1 1034 . 2 2 84 84 ASP HA H 1 5.392 0.000 . 1 . . . B 84 ASP HA . 19961 1 1035 . 2 2 84 84 ASP HB2 H 1 2.607 0.000 . 2 . . . B 84 ASP HB2 . 19961 1 1036 . 2 2 84 84 ASP HB3 H 1 2.538 0.000 . 2 . . . B 84 ASP HB3 . 19961 1 1037 . 2 2 84 84 ASP C C 13 175.020 0.000 . 1 . . . B 84 ASP C . 19961 1 1038 . 2 2 84 84 ASP CA C 13 54.270 0.000 . 1 . . . B 84 ASP CA . 19961 1 1039 . 2 2 84 84 ASP CB C 13 44.910 0.000 . 1 . . . B 84 ASP CB . 19961 1 1040 . 2 2 84 84 ASP N N 15 126.442 0.000 . 1 . . . B 84 ASP N . 19961 1 1041 . 2 2 85 85 VAL H H 1 7.842 0.000 . 1 . . . B 85 VAL H . 19961 1 1042 . 2 2 85 85 VAL HA H 1 4.772 0.000 . 1 . . . B 85 VAL HA . 19961 1 1043 . 2 2 85 85 VAL HB H 1 1.573 0.000 . 1 . . . B 85 VAL HB . 19961 1 1044 . 2 2 85 85 VAL HG11 H 1 0.527 0.000 . 2 . . . B 85 VAL HG11 . 19961 1 1045 . 2 2 85 85 VAL HG12 H 1 0.527 0.000 . 2 . . . B 85 VAL HG12 . 19961 1 1046 . 2 2 85 85 VAL HG13 H 1 0.527 0.000 . 2 . . . B 85 VAL HG13 . 19961 1 1047 . 2 2 85 85 VAL HG21 H 1 0.379 0.000 . 2 . . . B 85 VAL HG21 . 19961 1 1048 . 2 2 85 85 VAL HG22 H 1 0.379 0.000 . 2 . . . B 85 VAL HG22 . 19961 1 1049 . 2 2 85 85 VAL HG23 H 1 0.379 0.000 . 2 . . . B 85 VAL HG23 . 19961 1 1050 . 2 2 85 85 VAL C C 13 174.940 0.000 . 1 . . . B 85 VAL C . 19961 1 1051 . 2 2 85 85 VAL CA C 13 60.313 0.000 . 1 . . . B 85 VAL CA . 19961 1 1052 . 2 2 85 85 VAL CB C 13 34.298 0.000 . 1 . . . B 85 VAL CB . 19961 1 1053 . 2 2 85 85 VAL CG1 C 13 22.104 0.000 . 2 . . . B 85 VAL CG1 . 19961 1 1054 . 2 2 85 85 VAL CG2 C 13 21.731 0.000 . 2 . . . B 85 VAL CG2 . 19961 1 1055 . 2 2 85 85 VAL N N 15 118.685 0.000 . 1 . . . B 85 VAL N . 19961 1 1056 . 2 2 86 86 PHE H H 1 8.674 0.000 . 1 . . . B 86 PHE H . 19961 1 1057 . 2 2 86 86 PHE HA H 1 4.782 0.000 . 1 . . . B 86 PHE HA . 19961 1 1058 . 2 2 86 86 PHE HB2 H 1 3.040 0.000 . 2 . . . B 86 PHE HB2 . 19961 1 1059 . 2 2 86 86 PHE HB3 H 1 2.774 0.000 . 2 . . . B 86 PHE HB3 . 19961 1 1060 . 2 2 86 86 PHE HD1 H 1 7.054 0.000 . 1 . . . B 86 PHE HD1 . 19961 1 1061 . 2 2 86 86 PHE HD2 H 1 7.054 0.000 . 1 . . . B 86 PHE HD2 . 19961 1 1062 . 2 2 86 86 PHE C C 13 174.079 0.000 . 1 . . . B 86 PHE C . 19961 1 1063 . 2 2 86 86 PHE CA C 13 56.260 0.000 . 1 . . . B 86 PHE CA . 19961 1 1064 . 2 2 86 86 PHE CB C 13 42.036 0.000 . 1 . . . B 86 PHE CB . 19961 1 1065 . 2 2 86 86 PHE CD1 C 13 131.934 0.000 . 1 . . . B 86 PHE CD1 . 19961 1 1066 . 2 2 86 86 PHE CD2 C 13 131.934 0.000 . 1 . . . B 86 PHE CD2 . 19961 1 1067 . 2 2 86 86 PHE N N 15 124.533 0.000 . 1 . . . B 86 PHE N . 19961 1 1068 . 2 2 87 87 GLN H H 1 8.593 0.000 . 1 . . . B 87 GLN H . 19961 1 1069 . 2 2 87 87 GLN HA H 1 4.705 0.000 . 1 . . . B 87 GLN HA . 19961 1 1070 . 2 2 87 87 GLN HB2 H 1 2.144 0.000 . 2 . . . B 87 GLN HB2 . 19961 1 1071 . 2 2 87 87 GLN HB3 H 1 1.986 0.000 . 2 . . . B 87 GLN HB3 . 19961 1 1072 . 2 2 87 87 GLN HG2 H 1 2.388 0.000 . 2 . . . B 87 GLN HG2 . 19961 1 1073 . 2 2 87 87 GLN HG3 H 1 2.344 0.000 . 2 . . . B 87 GLN HG3 . 19961 1 1074 . 2 2 87 87 GLN HE21 H 1 2.387 0.000 . 1 . . . B 87 GLN HE21 . 19961 1 1075 . 2 2 87 87 GLN HE22 H 1 2.310 0.000 . 1 . . . B 87 GLN HE22 . 19961 1 1076 . 2 2 87 87 GLN C C 13 175.461 0.000 . 1 . . . B 87 GLN C . 19961 1 1077 . 2 2 87 87 GLN CA C 13 55.375 0.000 . 1 . . . B 87 GLN CA . 19961 1 1078 . 2 2 87 87 GLN CB C 13 30.171 0.000 . 1 . . . B 87 GLN CB . 19961 1 1079 . 2 2 87 87 GLN CG C 13 34.201 0.000 . 1 . . . B 87 GLN CG . 19961 1 1080 . 2 2 87 87 GLN N N 15 121.557 0.000 . 1 . . . B 87 GLN N . 19961 1 1081 . 2 2 87 87 GLN NE2 N 15 110.877 0.000 . 1 . . . B 87 GLN NE2 . 19961 1 1082 . 2 2 88 88 GLN H H 1 8.435 0.000 . 1 . . . B 88 GLN H . 19961 1 1083 . 2 2 88 88 GLN HA H 1 4.408 0.000 . 1 . . . B 88 GLN HA . 19961 1 1084 . 2 2 88 88 GLN HB2 H 1 1.957 0.000 . 2 . . . B 88 GLN HB2 . 19961 1 1085 . 2 2 88 88 GLN HB3 H 1 2.026 0.000 . 2 . . . B 88 GLN HB3 . 19961 1 1086 . 2 2 88 88 GLN HG2 H 1 2.299 0.000 . 2 . . . B 88 GLN HG2 . 19961 1 1087 . 2 2 88 88 GLN HG3 H 1 2.284 0.000 . 2 . . . B 88 GLN HG3 . 19961 1 1088 . 2 2 88 88 GLN HE21 H 1 7.388 0.000 . 1 . . . B 88 GLN HE21 . 19961 1 1089 . 2 2 88 88 GLN HE22 H 1 6.772 0.000 . 1 . . . B 88 GLN HE22 . 19961 1 1090 . 2 2 88 88 GLN C C 13 175.121 0.000 . 1 . . . B 88 GLN C . 19961 1 1091 . 2 2 88 88 GLN CA C 13 55.818 0.000 . 1 . . . B 88 GLN CA . 19961 1 1092 . 2 2 88 88 GLN CB C 13 30.024 0.000 . 1 . . . B 88 GLN CB . 19961 1 1093 . 2 2 88 88 GLN CG C 13 33.591 0.000 . 1 . . . B 88 GLN CG . 19961 1 1094 . 2 2 88 88 GLN N N 15 123.687 0.000 . 1 . . . B 88 GLN N . 19961 1 1095 . 2 2 88 88 GLN NE2 N 15 111.775 0.000 . 1 . . . B 88 GLN NE2 . 19961 1 1096 . 2 2 89 89 GLN H H 1 8.586 0.000 . 1 . . . B 89 GLN H . 19961 1 1097 . 2 2 89 89 GLN HA H 1 4.497 0.000 . 1 . . . B 89 GLN HA . 19961 1 1098 . 2 2 89 89 GLN HB2 H 1 2.193 0.000 . 2 . . . B 89 GLN HB2 . 19961 1 1099 . 2 2 89 89 GLN HB3 H 1 2.065 0.000 . 2 . . . B 89 GLN HB3 . 19961 1 1100 . 2 2 89 89 GLN HG2 H 1 2.439 0.000 . 2 . . . B 89 GLN HG2 . 19961 1 1101 . 2 2 89 89 GLN HG3 H 1 2.425 0.000 . 2 . . . B 89 GLN HG3 . 19961 1 1102 . 2 2 89 89 GLN HE21 H 1 2.387 0.000 . 1 . . . B 89 GLN HE21 . 19961 1 1103 . 2 2 89 89 GLN HE22 H 1 2.481 0.000 . 1 . . . B 89 GLN HE22 . 19961 1 1104 . 2 2 89 89 GLN C C 13 175.381 0.000 . 1 . . . B 89 GLN C . 19961 1 1105 . 2 2 89 89 GLN CA C 13 56.112 0.000 . 1 . . . B 89 GLN CA . 19961 1 1106 . 2 2 89 89 GLN CB C 13 29.876 0.000 . 1 . . . B 89 GLN CB . 19961 1 1107 . 2 2 89 89 GLN CG C 13 33.908 0.000 . 1 . . . B 89 GLN CG . 19961 1 1108 . 2 2 89 89 GLN N N 15 123.443 0.000 . 1 . . . B 89 GLN N . 19961 1 1109 . 2 2 89 89 GLN NE2 N 15 112.457 0.000 . 1 . . . B 89 GLN NE2 . 19961 1 1110 . 2 2 90 90 THR H H 1 7.889 0.000 . 1 . . . B 90 THR H . 19961 1 1111 . 2 2 90 90 THR HA H 1 4.201 0.000 . 1 . . . B 90 THR HA . 19961 1 1112 . 2 2 90 90 THR HB H 1 4.283 0.000 . 1 . . . B 90 THR HB . 19961 1 1113 . 2 2 90 90 THR HG21 H 1 1.197 0.000 . 1 . . . B 90 THR HG21 . 19961 1 1114 . 2 2 90 90 THR HG22 H 1 1.197 0.000 . 1 . . . B 90 THR HG22 . 19961 1 1115 . 2 2 90 90 THR HG23 H 1 1.197 0.000 . 1 . . . B 90 THR HG23 . 19961 1 1116 . 2 2 90 90 THR C C 13 179.126 0.000 . 1 . . . B 90 THR C . 19961 1 1117 . 2 2 90 90 THR CA C 13 63.261 0.000 . 1 . . . B 90 THR CA . 19961 1 1118 . 2 2 90 90 THR CB C 13 69.820 0.000 . 1 . . . B 90 THR CB . 19961 1 1119 . 2 2 90 90 THR CG2 C 13 21.983 0.000 . 1 . . . B 90 THR CG2 . 19961 1 1120 . 2 2 90 90 THR N N 15 121.138 0.000 . 1 . . . B 90 THR N . 19961 1 1121 . 1 1 4 4 ASN HD21 H 1 7.629 0.000 . 1 . . . A 4 ASN HD21 . 19961 1 1122 . 1 1 4 4 ASN HD22 H 1 6.947 0.000 . 1 . . . A 4 ASN HD22 . 19961 1 1123 . 1 1 4 4 ASN ND2 N 15 112.678 0.000 . 1 . . . A 4 ASN ND2 . 19961 1 1124 . 1 1 6 6 HIS H H 1 8.106 0.000 . 1 . . . A 6 HIS H . 19961 1 1125 . 1 1 6 6 HIS CD2 C 13 122.093 0.000 . 1 . . . A 6 HIS CD2 . 19961 1 1126 . 1 1 6 6 HIS N N 15 117.086 0.000 . 1 . . . A 6 HIS N . 19961 1 1127 . 1 1 7 7 ILE HB H 1 1.633 0.000 . 1 . . . A 7 ILE HB . 19961 1 1128 . 1 1 7 7 ILE HG12 H 1 1.401 0.000 . 2 . . . A 7 ILE HG12 . 19961 1 1129 . 1 1 7 7 ILE HG13 H 1 0.919 0.000 . 2 . . . A 7 ILE HG13 . 19961 1 1130 . 1 1 7 7 ILE HG21 H 1 0.760 0.000 . 1 . . . A 7 ILE HG21 . 19961 1 1131 . 1 1 7 7 ILE HG22 H 1 0.760 0.000 . 1 . . . A 7 ILE HG22 . 19961 1 1132 . 1 1 7 7 ILE HG23 H 1 0.760 0.000 . 1 . . . A 7 ILE HG23 . 19961 1 1133 . 1 1 7 7 ILE HD11 H 1 0.527 0.000 . 1 . . . A 7 ILE HD11 . 19961 1 1134 . 1 1 7 7 ILE HD12 H 1 0.527 0.000 . 1 . . . A 7 ILE HD12 . 19961 1 1135 . 1 1 7 7 ILE HD13 H 1 0.527 0.000 . 1 . . . A 7 ILE HD13 . 19961 1 1136 . 1 1 7 7 ILE CG1 C 13 26.673 0.000 . 1 . . . A 7 ILE CG1 . 19961 1 1137 . 1 1 7 7 ILE CG2 C 13 16.809 0.000 . 1 . . . A 7 ILE CG2 . 19961 1 1138 . 1 1 7 7 ILE CD1 C 13 14.624 0.000 . 1 . . . A 7 ILE CD1 . 19961 1 1139 . 1 1 8 8 ASN HD21 H 1 2.568 0.000 . 1 . . . A 8 ASN HD21 . 19961 1 1140 . 1 1 8 8 ASN HD22 H 1 2.758 0.000 . 1 . . . A 8 ASN HD22 . 19961 1 1141 . 1 1 8 8 ASN ND2 N 15 114.473 0.000 . 1 . . . A 8 ASN ND2 . 19961 1 1142 . 1 1 9 9 LEU HA H 1 5.131 0.000 . 1 . . . A 9 LEU HA . 19961 1 1143 . 1 1 9 9 LEU HB2 H 1 1.466 0.000 . 2 . . . A 9 LEU HB2 . 19961 1 1144 . 1 1 9 9 LEU HB3 H 1 1.249 0.000 . 2 . . . A 9 LEU HB3 . 19961 1 1145 . 1 1 9 9 LEU HG H 1 1.460 0.000 . 1 . . . A 9 LEU HG . 19961 1 1146 . 1 1 9 9 LEU HD11 H 1 0.691 0.000 . 2 . . . A 9 LEU HD11 . 19961 1 1147 . 1 1 9 9 LEU HD12 H 1 0.691 0.000 . 2 . . . A 9 LEU HD12 . 19961 1 1148 . 1 1 9 9 LEU HD13 H 1 0.691 0.000 . 2 . . . A 9 LEU HD13 . 19961 1 1149 . 1 1 9 9 LEU HD21 H 1 0.893 0.000 . 2 . . . A 9 LEU HD21 . 19961 1 1150 . 1 1 9 9 LEU HD22 H 1 0.893 0.000 . 2 . . . A 9 LEU HD22 . 19961 1 1151 . 1 1 9 9 LEU HD23 H 1 0.893 0.000 . 2 . . . A 9 LEU HD23 . 19961 1 1152 . 1 1 9 9 LEU CB C 13 46.982 0.000 . 1 . . . A 9 LEU CB . 19961 1 1153 . 1 1 9 9 LEU CG C 13 27.200 0.000 . 1 . . . A 9 LEU CG . 19961 1 1154 . 1 1 9 9 LEU CD1 C 13 26.640 0.000 . 2 . . . A 9 LEU CD1 . 19961 1 1155 . 1 1 9 9 LEU CD2 C 13 24.389 0.000 . 2 . . . A 9 LEU CD2 . 19961 1 1156 . 1 1 10 10 LYS HB2 H 1 1.978 0.000 . 2 . . . A 10 LYS HB2 . 19961 1 1157 . 1 1 10 10 LYS HB3 H 1 1.604 0.000 . 2 . . . A 10 LYS HB3 . 19961 1 1158 . 1 1 10 10 LYS HG2 H 1 1.277 0.000 . 2 . . . A 10 LYS HG2 . 19961 1 1159 . 1 1 10 10 LYS HG3 H 1 1.321 0.000 . 2 . . . A 10 LYS HG3 . 19961 1 1160 . 1 1 10 10 LYS HD2 H 1 1.630 0.000 . 1 . . . A 10 LYS HD2 . 19961 1 1161 . 1 1 10 10 LYS HD3 H 1 1.630 0.000 . 1 . . . A 10 LYS HD3 . 19961 1 1162 . 1 1 10 10 LYS HE2 H 1 2.908 0.000 . 2 . . . A 10 LYS HE2 . 19961 1 1163 . 1 1 10 10 LYS HE3 H 1 2.928 0.000 . 2 . . . A 10 LYS HE3 . 19961 1 1164 . 1 1 10 10 LYS CG C 13 25.860 0.000 . 1 . . . A 10 LYS CG . 19961 1 1165 . 1 1 10 10 LYS CD C 13 29.164 0.000 . 1 . . . A 10 LYS CD . 19961 1 1166 . 1 1 10 10 LYS CE C 13 42.018 0.000 . 1 . . . A 10 LYS CE . 19961 1 1167 . 1 1 11 11 VAL HB H 1 2.067 0.000 . 1 . . . A 11 VAL HB . 19961 1 1168 . 1 1 11 11 VAL HG11 H 1 0.129 0.000 . 2 . . . A 11 VAL HG11 . 19961 1 1169 . 1 1 11 11 VAL HG12 H 1 0.129 0.000 . 2 . . . A 11 VAL HG12 . 19961 1 1170 . 1 1 11 11 VAL HG13 H 1 0.129 0.000 . 2 . . . A 11 VAL HG13 . 19961 1 1171 . 1 1 11 11 VAL HG21 H 1 0.796 0.000 . 2 . . . A 11 VAL HG21 . 19961 1 1172 . 1 1 11 11 VAL HG22 H 1 0.796 0.000 . 2 . . . A 11 VAL HG22 . 19961 1 1173 . 1 1 11 11 VAL HG23 H 1 0.796 0.000 . 2 . . . A 11 VAL HG23 . 19961 1 1174 . 1 1 11 11 VAL CG1 C 13 22.540 0.000 . 2 . . . A 11 VAL CG1 . 19961 1 1175 . 1 1 11 11 VAL CG2 C 13 21.752 0.000 . 2 . . . A 11 VAL CG2 . 19961 1 1176 . 1 1 12 12 ALA HB1 H 1 1.436 0.000 . 1 . . . A 12 ALA HB1 . 19961 1 1177 . 1 1 12 12 ALA HB2 H 1 1.436 0.000 . 1 . . . A 12 ALA HB2 . 19961 1 1178 . 1 1 12 12 ALA HB3 H 1 1.436 0.000 . 1 . . . A 12 ALA HB3 . 19961 1 1179 . 1 1 13 13 GLY HA2 H 1 4.629 0.000 . 2 . . . A 13 GLY HA2 . 19961 1 1180 . 1 1 13 13 GLY HA3 H 1 3.840 0.000 . 2 . . . A 13 GLY HA3 . 19961 1 1181 . 1 1 14 14 GLN HG2 H 1 2.480 0.000 . 2 . . . A 14 GLN HG2 . 19961 1 1182 . 1 1 14 14 GLN HG3 H 1 2.502 0.000 . 2 . . . A 14 GLN HG3 . 19961 1 1183 . 1 1 14 14 GLN HE21 H 1 7.594 0.000 . 1 . . . A 14 GLN HE21 . 19961 1 1184 . 1 1 14 14 GLN HE22 H 1 6.970 0.000 . 1 . . . A 14 GLN HE22 . 19961 1 1185 . 1 1 14 14 GLN CG C 13 34.560 0.000 . 1 . . . A 14 GLN CG . 19961 1 1186 . 1 1 14 14 GLN NE2 N 15 113.755 0.000 . 1 . . . A 14 GLN NE2 . 19961 1 1187 . 1 1 16 16 GLY HA2 H 1 4.338 0.000 . 2 . . . A 16 GLY HA2 . 19961 1 1188 . 1 1 16 16 GLY HA3 H 1 3.785 0.000 . 2 . . . A 16 GLY HA3 . 19961 1 1189 . 1 1 17 17 SER HB2 H 1 4.018 0.000 . 2 . . . A 17 SER HB2 . 19961 1 1190 . 1 1 17 17 SER HB3 H 1 3.986 0.000 . 2 . . . A 17 SER HB3 . 19961 1 1191 . 1 1 18 18 VAL HB H 1 1.984 0.000 . 1 . . . A 18 VAL HB . 19961 1 1192 . 1 1 18 18 VAL HG11 H 1 0.992 0.000 . 2 . . . A 18 VAL HG11 . 19961 1 1193 . 1 1 18 18 VAL HG12 H 1 0.992 0.000 . 2 . . . A 18 VAL HG12 . 19961 1 1194 . 1 1 18 18 VAL HG13 H 1 0.992 0.000 . 2 . . . A 18 VAL HG13 . 19961 1 1195 . 1 1 18 18 VAL HG21 H 1 0.894 0.000 . 2 . . . A 18 VAL HG21 . 19961 1 1196 . 1 1 18 18 VAL HG22 H 1 0.894 0.000 . 2 . . . A 18 VAL HG22 . 19961 1 1197 . 1 1 18 18 VAL HG23 H 1 0.894 0.000 . 2 . . . A 18 VAL HG23 . 19961 1 1198 . 1 1 18 18 VAL CG1 C 13 21.625 0.000 . 2 . . . A 18 VAL CG1 . 19961 1 1199 . 1 1 18 18 VAL CG2 C 13 21.275 0.000 . 2 . . . A 18 VAL CG2 . 19961 1 1200 . 1 1 19 19 VAL HB H 1 2.134 0.000 . 1 . . . A 19 VAL HB . 19961 1 1201 . 1 1 19 19 VAL HG11 H 1 0.833 0.000 . 2 . . . A 19 VAL HG11 . 19961 1 1202 . 1 1 19 19 VAL HG12 H 1 0.833 0.000 . 2 . . . A 19 VAL HG12 . 19961 1 1203 . 1 1 19 19 VAL HG13 H 1 0.833 0.000 . 2 . . . A 19 VAL HG13 . 19961 1 1204 . 1 1 19 19 VAL HG21 H 1 1.106 0.000 . 2 . . . A 19 VAL HG21 . 19961 1 1205 . 1 1 19 19 VAL HG22 H 1 1.106 0.000 . 2 . . . A 19 VAL HG22 . 19961 1 1206 . 1 1 19 19 VAL HG23 H 1 1.106 0.000 . 2 . . . A 19 VAL HG23 . 19961 1 1207 . 1 1 19 19 VAL CG1 C 13 22.503 0.000 . 2 . . . A 19 VAL CG1 . 19961 1 1208 . 1 1 19 19 VAL CG2 C 13 21.633 0.000 . 2 . . . A 19 VAL CG2 . 19961 1 1209 . 1 1 20 20 GLN HE21 H 1 6.887 0.000 . 1 . . . A 20 GLN HE21 . 19961 1 1210 . 1 1 20 20 GLN HE22 H 1 7.382 0.000 . 1 . . . A 20 GLN HE22 . 19961 1 1211 . 1 1 20 20 GLN NE2 N 15 111.422 0.000 . 1 . . . A 20 GLN NE2 . 19961 1 1212 . 1 1 21 21 PHE HB2 H 1 3.010 0.000 . 2 . . . A 21 PHE HB2 . 19961 1 1213 . 1 1 21 21 PHE HB3 H 1 2.589 0.000 . 2 . . . A 21 PHE HB3 . 19961 1 1214 . 1 1 21 21 PHE HD1 H 1 7.250 0.000 . 1 . . . A 21 PHE HD1 . 19961 1 1215 . 1 1 21 21 PHE HD2 H 1 7.250 0.000 . 1 . . . A 21 PHE HD2 . 19961 1 1216 . 1 1 21 21 PHE CD1 C 13 132.500 0.000 . 1 . . . A 21 PHE CD1 . 19961 1 1217 . 1 1 21 21 PHE CD2 C 13 132.500 0.000 . 1 . . . A 21 PHE CD2 . 19961 1 1218 . 1 1 22 22 LYS HB2 H 1 1.635 0.000 . 1 . . . A 22 LYS HB2 . 19961 1 1219 . 1 1 22 22 LYS HB3 H 1 1.635 0.000 . 1 . . . A 22 LYS HB3 . 19961 1 1220 . 1 1 22 22 LYS HG2 H 1 1.332 0.000 . 2 . . . A 22 LYS HG2 . 19961 1 1221 . 1 1 22 22 LYS HG3 H 1 1.216 0.000 . 2 . . . A 22 LYS HG3 . 19961 1 1222 . 1 1 22 22 LYS HD2 H 1 1.471 0.000 . 2 . . . A 22 LYS HD2 . 19961 1 1223 . 1 1 22 22 LYS HD3 H 1 1.443 0.000 . 2 . . . A 22 LYS HD3 . 19961 1 1224 . 1 1 22 22 LYS HE2 H 1 2.715 0.000 . 2 . . . A 22 LYS HE2 . 19961 1 1225 . 1 1 22 22 LYS HE3 H 1 2.670 0.000 . 2 . . . A 22 LYS HE3 . 19961 1 1226 . 1 1 22 22 LYS CG C 13 25.013 0.000 . 1 . . . A 22 LYS CG . 19961 1 1227 . 1 1 22 22 LYS CD C 13 29.127 0.000 . 1 . . . A 22 LYS CD . 19961 1 1228 . 1 1 22 22 LYS CE C 13 41.660 0.000 . 1 . . . A 22 LYS CE . 19961 1 1229 . 1 1 23 23 ILE HA H 1 4.910 0.000 . 1 . . . A 23 ILE HA . 19961 1 1230 . 1 1 23 23 ILE HB H 1 1.867 0.000 . 1 . . . A 23 ILE HB . 19961 1 1231 . 1 1 23 23 ILE HG12 H 1 1.343 0.000 . 2 . . . A 23 ILE HG12 . 19961 1 1232 . 1 1 23 23 ILE HG13 H 1 1.497 0.000 . 2 . . . A 23 ILE HG13 . 19961 1 1233 . 1 1 23 23 ILE HG21 H 1 0.839 0.000 . 1 . . . A 23 ILE HG21 . 19961 1 1234 . 1 1 23 23 ILE HG22 H 1 0.839 0.000 . 1 . . . A 23 ILE HG22 . 19961 1 1235 . 1 1 23 23 ILE HG23 H 1 0.839 0.000 . 1 . . . A 23 ILE HG23 . 19961 1 1236 . 1 1 23 23 ILE HD11 H 1 0.741 0.000 . 1 . . . A 23 ILE HD11 . 19961 1 1237 . 1 1 23 23 ILE HD12 H 1 0.741 0.000 . 1 . . . A 23 ILE HD12 . 19961 1 1238 . 1 1 23 23 ILE HD13 H 1 0.741 0.000 . 1 . . . A 23 ILE HD13 . 19961 1 1239 . 1 1 23 23 ILE CB C 13 42.519 0.000 . 1 . . . A 23 ILE CB . 19961 1 1240 . 1 1 23 23 ILE CG1 C 13 26.642 0.000 . 1 . . . A 23 ILE CG1 . 19961 1 1241 . 1 1 23 23 ILE CG2 C 13 16.664 0.000 . 1 . . . A 23 ILE CG2 . 19961 1 1242 . 1 1 23 23 ILE CD1 C 13 14.533 0.000 . 1 . . . A 23 ILE CD1 . 19961 1 1243 . 1 1 24 24 LYS HD2 H 1 1.593 0.000 . 2 . . . A 24 LYS HD2 . 19961 1 1244 . 1 1 24 24 LYS HD3 H 1 1.571 0.000 . 2 . . . A 24 LYS HD3 . 19961 1 1245 . 1 1 24 24 LYS HE2 H 1 2.910 0.000 . 2 . . . A 24 LYS HE2 . 19961 1 1246 . 1 1 24 24 LYS HE3 H 1 2.930 0.000 . 2 . . . A 24 LYS HE3 . 19961 1 1247 . 1 1 24 24 LYS CD C 13 29.371 0.000 . 1 . . . A 24 LYS CD . 19961 1 1248 . 1 1 24 24 LYS CE C 13 42.024 0.000 . 1 . . . A 24 LYS CE . 19961 1 1249 . 1 1 25 25 ARG HG2 H 1 1.313 0.000 . 2 . . . A 25 ARG HG2 . 19961 1 1250 . 1 1 25 25 ARG HG3 H 1 1.490 0.000 . 2 . . . A 25 ARG HG3 . 19961 1 1251 . 1 1 25 25 ARG HD2 H 1 3.179 0.000 . 2 . . . A 25 ARG HD2 . 19961 1 1252 . 1 1 25 25 ARG HD3 H 1 3.211 0.000 . 2 . . . A 25 ARG HD3 . 19961 1 1253 . 1 1 25 25 ARG HE H 1 7.289 0.000 . 1 . . . A 25 ARG HE . 19961 1 1254 . 1 1 25 25 ARG CG C 13 29.539 0.000 . 1 . . . A 25 ARG CG . 19961 1 1255 . 1 1 25 25 ARG CD C 13 43.063 0.000 . 1 . . . A 25 ARG CD . 19961 1 1256 . 1 1 25 25 ARG NE N 15 107.114 0.000 . 1 . . . A 25 ARG NE . 19961 1 1257 . 1 1 26 26 HIS HA H 1 4.854 0.000 . 1 . . . A 26 HIS HA . 19961 1 1258 . 1 1 26 26 HIS HB2 H 1 3.417 0.000 . 2 . . . A 26 HIS HB2 . 19961 1 1259 . 1 1 26 26 HIS HB3 H 1 2.999 0.000 . 2 . . . A 26 HIS HB3 . 19961 1 1260 . 1 1 26 26 HIS HD1 H 1 7.053 0.000 . 1 . . . A 26 HIS HD1 . 19961 1 1261 . 1 1 26 26 HIS HD2 H 1 7.053 0.000 . 1 . . . A 26 HIS HD2 . 19961 1 1262 . 1 1 26 26 HIS CB C 13 29.205 0.000 . 1 . . . A 26 HIS CB . 19961 1 1263 . 1 1 26 26 HIS CD2 C 13 119.359 0.000 . 1 . . . A 26 HIS CD2 . 19961 1 1264 . 1 1 27 27 THR HB H 1 4.110 0.000 . 1 . . . A 27 THR HB . 19961 1 1265 . 1 1 27 27 THR HG21 H 1 1.430 0.000 . 1 . . . A 27 THR HG21 . 19961 1 1266 . 1 1 27 27 THR HG22 H 1 1.430 0.000 . 1 . . . A 27 THR HG22 . 19961 1 1267 . 1 1 27 27 THR HG23 H 1 1.430 0.000 . 1 . . . A 27 THR HG23 . 19961 1 1268 . 1 1 27 27 THR CG2 C 13 21.500 0.000 . 1 . . . A 27 THR CG2 . 19961 1 1269 . 1 1 28 28 PRO HB2 H 1 2.359 0.000 . 2 . . . A 28 PRO HB2 . 19961 1 1270 . 1 1 28 28 PRO HB3 H 1 2.153 0.000 . 2 . . . A 28 PRO HB3 . 19961 1 1271 . 1 1 28 28 PRO HG2 H 1 1.991 0.000 . 2 . . . A 28 PRO HG2 . 19961 1 1272 . 1 1 28 28 PRO HG3 H 1 2.144 0.000 . 2 . . . A 28 PRO HG3 . 19961 1 1273 . 1 1 28 28 PRO HD2 H 1 4.025 0.000 . 2 . . . A 28 PRO HD2 . 19961 1 1274 . 1 1 28 28 PRO HD3 H 1 3.784 0.000 . 2 . . . A 28 PRO HD3 . 19961 1 1275 . 1 1 28 28 PRO CG C 13 27.996 0.000 . 1 . . . A 28 PRO CG . 19961 1 1276 . 1 1 28 28 PRO CD C 13 51.118 0.000 . 1 . . . A 28 PRO CD . 19961 1 1277 . 1 1 29 29 LEU HB2 H 1 1.111 0.000 . 2 . . . A 29 LEU HB2 . 19961 1 1278 . 1 1 29 29 LEU HB3 H 1 1.754 0.000 . 2 . . . A 29 LEU HB3 . 19961 1 1279 . 1 1 29 29 LEU HG H 1 1.563 0.000 . 1 . . . A 29 LEU HG . 19961 1 1280 . 1 1 29 29 LEU HD11 H 1 0.614 0.000 . 2 . . . A 29 LEU HD11 . 19961 1 1281 . 1 1 29 29 LEU HD12 H 1 0.614 0.000 . 2 . . . A 29 LEU HD12 . 19961 1 1282 . 1 1 29 29 LEU HD13 H 1 0.614 0.000 . 2 . . . A 29 LEU HD13 . 19961 1 1283 . 1 1 29 29 LEU HD21 H 1 0.648 0.000 . 2 . . . A 29 LEU HD21 . 19961 1 1284 . 1 1 29 29 LEU HD22 H 1 0.648 0.000 . 2 . . . A 29 LEU HD22 . 19961 1 1285 . 1 1 29 29 LEU HD23 H 1 0.648 0.000 . 2 . . . A 29 LEU HD23 . 19961 1 1286 . 1 1 29 29 LEU CG C 13 29.189 0.000 . 1 . . . A 29 LEU CG . 19961 1 1287 . 1 1 29 29 LEU CD1 C 13 26.549 0.000 . 2 . . . A 29 LEU CD1 . 19961 1 1288 . 1 1 29 29 LEU CD2 C 13 24.637 0.000 . 2 . . . A 29 LEU CD2 . 19961 1 1289 . 1 1 31 31 LYS HG2 H 1 1.600 0.000 . 2 . . . A 31 LYS HG2 . 19961 1 1290 . 1 1 31 31 LYS HG3 H 1 1.478 0.000 . 2 . . . A 31 LYS HG3 . 19961 1 1291 . 1 1 31 31 LYS HE2 H 1 3.067 0.000 . 2 . . . A 31 LYS HE2 . 19961 1 1292 . 1 1 31 31 LYS HE3 H 1 2.999 0.000 . 2 . . . A 31 LYS HE3 . 19961 1 1293 . 1 1 31 31 LYS CG C 13 25.466 0.000 . 1 . . . A 31 LYS CG . 19961 1 1294 . 1 1 31 31 LYS CD C 13 29.094 0.000 . 1 . . . A 31 LYS CD . 19961 1 1295 . 1 1 31 31 LYS CE C 13 41.994 0.000 . 1 . . . A 31 LYS CE . 19961 1 1296 . 1 1 32 32 LEU HG H 1 0.425 0.000 . 1 . . . A 32 LEU HG . 19961 1 1297 . 1 1 32 32 LEU HD11 H 1 0.758 0.000 . 2 . . . A 32 LEU HD11 . 19961 1 1298 . 1 1 32 32 LEU HD12 H 1 0.758 0.000 . 2 . . . A 32 LEU HD12 . 19961 1 1299 . 1 1 32 32 LEU HD13 H 1 0.758 0.000 . 2 . . . A 32 LEU HD13 . 19961 1 1300 . 1 1 32 32 LEU HD21 H 1 0.241 0.000 . 2 . . . A 32 LEU HD21 . 19961 1 1301 . 1 1 32 32 LEU HD22 H 1 0.241 0.000 . 2 . . . A 32 LEU HD22 . 19961 1 1302 . 1 1 32 32 LEU HD23 H 1 0.241 0.000 . 2 . . . A 32 LEU HD23 . 19961 1 1303 . 1 1 32 32 LEU CD1 C 13 26.652 0.000 . 2 . . . A 32 LEU CD1 . 19961 1 1304 . 1 1 32 32 LEU CD2 C 13 24.205 0.000 . 2 . . . A 32 LEU CD2 . 19961 1 1305 . 1 1 33 33 MET HB2 H 1 1.740 0.000 . 2 . . . A 33 MET HB2 . 19961 1 1306 . 1 1 33 33 MET HB3 H 1 1.716 0.000 . 2 . . . A 33 MET HB3 . 19961 1 1307 . 1 1 33 33 MET HG2 H 1 1.899 0.000 . 2 . . . A 33 MET HG2 . 19961 1 1308 . 1 1 33 33 MET HG3 H 1 0.350 0.000 . 2 . . . A 33 MET HG3 . 19961 1 1309 . 1 1 33 33 MET HE1 H 1 1.540 0.000 . 1 . . . A 33 MET HE1 . 19961 1 1310 . 1 1 33 33 MET HE2 H 1 1.540 0.000 . 1 . . . A 33 MET HE2 . 19961 1 1311 . 1 1 33 33 MET HE3 H 1 1.540 0.000 . 1 . . . A 33 MET HE3 . 19961 1 1312 . 1 1 33 33 MET CG C 13 31.448 0.000 . 1 . . . A 33 MET CG . 19961 1 1313 . 1 1 33 33 MET CE C 13 87.600 0.000 . 1 . . . A 33 MET CE . 19961 1 1314 . 1 1 36 36 TYR HE1 H 1 6.700 0.000 . 1 . . . A 36 TYR HE1 . 19961 1 1315 . 1 1 36 36 TYR HE2 H 1 6.700 0.000 . 1 . . . A 36 TYR HE2 . 19961 1 1316 . 1 1 36 36 TYR CD1 C 13 131.934 0.000 . 1 . . . A 36 TYR CD1 . 19961 1 1317 . 1 1 36 36 TYR CD2 C 13 131.934 0.000 . 1 . . . A 36 TYR CD2 . 19961 1 1318 . 1 1 37 37 CYS HB2 H 1 3.237 0.000 . 2 . . . A 37 CYS HB2 . 19961 1 1319 . 1 1 37 37 CYS HB3 H 1 3.151 0.000 . 2 . . . A 37 CYS HB3 . 19961 1 1320 . 1 1 38 38 GLU H H 1 8.349 0.000 . 1 . . . A 38 GLU H . 19961 1 1321 . 1 1 38 38 GLU N N 15 118.899 0.000 . 1 . . . A 38 GLU N . 19961 1 1322 . 1 1 39 39 ARG HG2 H 1 1.846 0.000 . 2 . . . A 39 ARG HG2 . 19961 1 1323 . 1 1 39 39 ARG HG3 H 1 1.825 0.000 . 2 . . . A 39 ARG HG3 . 19961 1 1324 . 1 1 39 39 ARG HD2 H 1 3.221 0.000 . 2 . . . A 39 ARG HD2 . 19961 1 1325 . 1 1 39 39 ARG HD3 H 1 3.196 0.000 . 2 . . . A 39 ARG HD3 . 19961 1 1326 . 1 1 39 39 ARG CD C 13 43.387 0.000 . 1 . . . A 39 ARG CD . 19961 1 1327 . 1 1 40 40 GLN HG2 H 1 1.719 0.000 . 2 . . . A 40 GLN HG2 . 19961 1 1328 . 1 1 40 40 GLN HG3 H 1 1.720 0.000 . 2 . . . A 40 GLN HG3 . 19961 1 1329 . 1 1 40 40 GLN HE21 H 1 6.760 0.000 . 1 . . . A 40 GLN HE21 . 19961 1 1330 . 1 1 40 40 GLN HE22 H 1 6.700 0.000 . 1 . . . A 40 GLN HE22 . 19961 1 1331 . 1 1 40 40 GLN CG C 13 33.511 0.000 . 1 . . . A 40 GLN CG . 19961 1 1332 . 1 1 40 40 GLN NE2 N 15 109.300 0.000 . 1 . . . A 40 GLN NE2 . 19961 1 1333 . 1 1 41 41 GLY HA2 H 1 4.033 0.000 . 2 . . . A 41 GLY HA2 . 19961 1 1334 . 1 1 41 41 GLY HA3 H 1 3.954 0.000 . 2 . . . A 41 GLY HA3 . 19961 1 1335 . 1 1 45 45 ARG HB2 H 1 1.853 0.000 . 1 . . . A 45 ARG HB2 . 19961 1 1336 . 1 1 45 45 ARG HB3 H 1 1.853 0.000 . 1 . . . A 45 ARG HB3 . 19961 1 1337 . 1 1 45 45 ARG HG2 H 1 1.720 0.000 . 1 . . . A 45 ARG HG2 . 19961 1 1338 . 1 1 45 45 ARG HG3 H 1 1.720 0.000 . 1 . . . A 45 ARG HG3 . 19961 1 1339 . 1 1 45 45 ARG HD2 H 1 3.271 0.000 . 1 . . . A 45 ARG HD2 . 19961 1 1340 . 1 1 45 45 ARG HD3 H 1 3.271 0.000 . 1 . . . A 45 ARG HD3 . 19961 1 1341 . 1 1 45 45 ARG HE H 1 7.378 0.000 . 1 . . . A 45 ARG HE . 19961 1 1342 . 1 1 45 45 ARG CG C 13 27.277 0.000 . 1 . . . A 45 ARG CG . 19961 1 1343 . 1 1 45 45 ARG CD C 13 43.167 0.000 . 1 . . . A 45 ARG CD . 19961 1 1344 . 1 1 45 45 ARG NE N 15 108.370 0.000 . 1 . . . A 45 ARG NE . 19961 1 1345 . 1 1 46 46 GLN HG2 H 1 2.483 0.000 . 2 . . . A 46 GLN HG2 . 19961 1 1346 . 1 1 46 46 GLN HG3 H 1 2.383 0.000 . 2 . . . A 46 GLN HG3 . 19961 1 1347 . 1 1 46 46 GLN HE21 H 1 6.927 0.000 . 1 . . . A 46 GLN HE21 . 19961 1 1348 . 1 1 46 46 GLN HE22 H 1 7.580 0.000 . 1 . . . A 46 GLN HE22 . 19961 1 1349 . 1 1 46 46 GLN CG C 13 34.823 0.000 . 1 . . . A 46 GLN CG . 19961 1 1350 . 1 1 46 46 GLN NE2 N 15 111.781 0.000 . 1 . . . A 46 GLN NE2 . 19961 1 1351 . 1 1 47 47 ILE HB H 1 1.712 0.000 . 1 . . . A 47 ILE HB . 19961 1 1352 . 1 1 47 47 ILE HG12 H 1 0.717 0.000 . 2 . . . A 47 ILE HG12 . 19961 1 1353 . 1 1 47 47 ILE HG13 H 1 0.669 0.000 . 2 . . . A 47 ILE HG13 . 19961 1 1354 . 1 1 47 47 ILE HG21 H 1 1.234 0.000 . 1 . . . A 47 ILE HG21 . 19961 1 1355 . 1 1 47 47 ILE HG22 H 1 1.234 0.000 . 1 . . . A 47 ILE HG22 . 19961 1 1356 . 1 1 47 47 ILE HG23 H 1 1.234 0.000 . 1 . . . A 47 ILE HG23 . 19961 1 1357 . 1 1 47 47 ILE HD11 H 1 0.759 0.000 . 1 . . . A 47 ILE HD11 . 19961 1 1358 . 1 1 47 47 ILE HD12 H 1 0.759 0.000 . 1 . . . A 47 ILE HD12 . 19961 1 1359 . 1 1 47 47 ILE HD13 H 1 0.759 0.000 . 1 . . . A 47 ILE HD13 . 19961 1 1360 . 1 1 47 47 ILE CG1 C 13 25.811 0.000 . 1 . . . A 47 ILE CG1 . 19961 1 1361 . 1 1 47 47 ILE CG2 C 13 19.133 0.000 . 1 . . . A 47 ILE CG2 . 19961 1 1362 . 1 1 47 47 ILE CD1 C 13 14.599 0.000 . 1 . . . A 47 ILE CD1 . 19961 1 1363 . 1 1 48 48 ARG HD2 H 1 3.322 0.000 . 2 . . . A 48 ARG HD2 . 19961 1 1364 . 1 1 48 48 ARG HD3 H 1 3.208 0.000 . 2 . . . A 48 ARG HD3 . 19961 1 1365 . 1 1 48 48 ARG CD C 13 43.074 0.000 . 1 . . . A 48 ARG CD . 19961 1 1366 . 1 1 49 49 PHE HE1 H 1 6.901 0.000 . 1 . . . A 49 PHE HE1 . 19961 1 1367 . 1 1 49 49 PHE HE2 H 1 6.901 0.000 . 1 . . . A 49 PHE HE2 . 19961 1 1368 . 1 1 49 49 PHE HZ H 1 7.258 0.000 . 1 . . . A 49 PHE HZ . 19961 1 1369 . 1 1 49 49 PHE CD1 C 13 132.481 0.000 . 1 . . . A 49 PHE CD1 . 19961 1 1370 . 1 1 49 49 PHE CD2 C 13 132.481 0.000 . 1 . . . A 49 PHE CD2 . 19961 1 1371 . 1 1 49 49 PHE CE1 C 13 130.840 0.000 . 1 . . . A 49 PHE CE1 . 19961 1 1372 . 1 1 49 49 PHE CE2 C 13 130.840 0.000 . 1 . . . A 49 PHE CE2 . 19961 1 1373 . 1 1 49 49 PHE CZ C 13 129.747 0.000 . 1 . . . A 49 PHE CZ . 19961 1 1374 . 1 1 50 50 ARG HD2 H 1 2.783 0.000 . 2 . . . A 50 ARG HD2 . 19961 1 1375 . 1 1 50 50 ARG HD3 H 1 2.754 0.000 . 2 . . . A 50 ARG HD3 . 19961 1 1376 . 1 1 50 50 ARG CD C 13 43.616 0.000 . 1 . . . A 50 ARG CD . 19961 1 1377 . 1 1 51 51 PHE HA H 1 5.357 0.000 . 1 . . . A 51 PHE HA . 19961 1 1378 . 1 1 51 51 PHE HB2 H 1 3.000 0.000 . 2 . . . A 51 PHE HB2 . 19961 1 1379 . 1 1 51 51 PHE HB3 H 1 2.875 0.000 . 2 . . . A 51 PHE HB3 . 19961 1 1380 . 1 1 51 51 PHE HD1 H 1 7.409 0.000 . 1 . . . A 51 PHE HD1 . 19961 1 1381 . 1 1 51 51 PHE HD2 H 1 7.409 0.000 . 1 . . . A 51 PHE HD2 . 19961 1 1382 . 1 1 51 51 PHE CB C 13 42.099 0.000 . 1 . . . A 51 PHE CB . 19961 1 1383 . 1 1 51 51 PHE CD1 C 13 131.934 0.000 . 1 . . . A 51 PHE CD1 . 19961 1 1384 . 1 1 51 51 PHE CD2 C 13 131.934 0.000 . 1 . . . A 51 PHE CD2 . 19961 1 1385 . 1 1 53 53 GLY HA2 H 1 4.188 0.000 . 2 . . . A 53 GLY HA2 . 19961 1 1386 . 1 1 53 53 GLY HA3 H 1 3.522 0.000 . 2 . . . A 53 GLY HA3 . 19961 1 1387 . 1 1 54 54 GLN HE21 H 1 7.527 0.000 . 1 . . . A 54 GLN HE21 . 19961 1 1388 . 1 1 54 54 GLN HE22 H 1 6.901 0.000 . 1 . . . A 54 GLN HE22 . 19961 1 1389 . 1 1 54 54 GLN NE2 N 15 112.140 0.000 . 1 . . . A 54 GLN NE2 . 19961 1 1390 . 1 1 56 56 ILE HB H 1 1.731 0.000 . 1 . . . A 56 ILE HB . 19961 1 1391 . 1 1 56 56 ILE HG12 H 1 1.453 0.000 . 2 . . . A 56 ILE HG12 . 19961 1 1392 . 1 1 56 56 ILE HG13 H 1 0.926 0.000 . 2 . . . A 56 ILE HG13 . 19961 1 1393 . 1 1 56 56 ILE HG21 H 1 0.913 0.000 . 1 . . . A 56 ILE HG21 . 19961 1 1394 . 1 1 56 56 ILE HG22 H 1 0.913 0.000 . 1 . . . A 56 ILE HG22 . 19961 1 1395 . 1 1 56 56 ILE HG23 H 1 0.913 0.000 . 1 . . . A 56 ILE HG23 . 19961 1 1396 . 1 1 56 56 ILE HD11 H 1 0.699 0.000 . 1 . . . A 56 ILE HD11 . 19961 1 1397 . 1 1 56 56 ILE HD12 H 1 0.699 0.000 . 1 . . . A 56 ILE HD12 . 19961 1 1398 . 1 1 56 56 ILE HD13 H 1 0.699 0.000 . 1 . . . A 56 ILE HD13 . 19961 1 1399 . 1 1 56 56 ILE CG1 C 13 26.654 0.000 . 1 . . . A 56 ILE CG1 . 19961 1 1400 . 1 1 56 56 ILE CG2 C 13 19.542 0.000 . 1 . . . A 56 ILE CG2 . 19961 1 1401 . 1 1 56 56 ILE CD1 C 13 14.980 0.000 . 1 . . . A 56 ILE CD1 . 19961 1 1402 . 1 1 57 57 ASN HB2 H 1 2.834 0.000 . 2 . . . A 57 ASN HB2 . 19961 1 1403 . 1 1 57 57 ASN HB3 H 1 2.697 0.000 . 2 . . . A 57 ASN HB3 . 19961 1 1404 . 1 1 57 57 ASN HD21 H 1 7.960 0.000 . 1 . . . A 57 ASN HD21 . 19961 1 1405 . 1 1 57 57 ASN HD22 H 1 6.964 0.000 . 1 . . . A 57 ASN HD22 . 19961 1 1406 . 1 1 57 57 ASN ND2 N 15 116.269 0.000 . 1 . . . A 57 ASN ND2 . 19961 1 1407 . 1 1 59 59 THR HB H 1 4.536 0.000 . 1 . . . A 59 THR HB . 19961 1 1408 . 1 1 59 59 THR HG21 H 1 1.260 0.000 . 1 . . . A 59 THR HG21 . 19961 1 1409 . 1 1 59 59 THR HG22 H 1 1.260 0.000 . 1 . . . A 59 THR HG22 . 19961 1 1410 . 1 1 59 59 THR HG23 H 1 1.260 0.000 . 1 . . . A 59 THR HG23 . 19961 1 1411 . 1 1 59 59 THR CG2 C 13 21.890 0.000 . 1 . . . A 59 THR CG2 . 19961 1 1412 . 1 1 61 61 THR HB H 1 4.460 0.000 . 1 . . . A 61 THR HB . 19961 1 1413 . 1 1 61 61 THR HG21 H 1 1.037 0.000 . 1 . . . A 61 THR HG21 . 19961 1 1414 . 1 1 61 61 THR HG22 H 1 1.037 0.000 . 1 . . . A 61 THR HG22 . 19961 1 1415 . 1 1 61 61 THR HG23 H 1 1.037 0.000 . 1 . . . A 61 THR HG23 . 19961 1 1416 . 1 1 61 61 THR CG2 C 13 21.178 0.000 . 1 . . . A 61 THR CG2 . 19961 1 1417 . 1 1 62 62 PRO HG2 H 1 2.109 0.000 . 2 . . . A 62 PRO HG2 . 19961 1 1418 . 1 1 62 62 PRO HG3 H 1 2.092 0.000 . 2 . . . A 62 PRO HG3 . 19961 1 1419 . 1 1 62 62 PRO HD2 H 1 3.910 0.000 . 2 . . . A 62 PRO HD2 . 19961 1 1420 . 1 1 62 62 PRO HD3 H 1 4.021 0.000 . 2 . . . A 62 PRO HD3 . 19961 1 1421 . 1 1 62 62 PRO CG C 13 28.100 0.000 . 1 . . . A 62 PRO CG . 19961 1 1422 . 1 1 62 62 PRO CD C 13 51.237 0.000 . 1 . . . A 62 PRO CD . 19961 1 1423 . 1 1 63 63 ALA HA H 1 4.114 0.000 . 1 . . . A 63 ALA HA . 19961 1 1424 . 1 1 63 63 ALA HB1 H 1 1.087 0.000 . 1 . . . A 63 ALA HB1 . 19961 1 1425 . 1 1 63 63 ALA HB2 H 1 1.087 0.000 . 1 . . . A 63 ALA HB2 . 19961 1 1426 . 1 1 63 63 ALA HB3 H 1 1.087 0.000 . 1 . . . A 63 ALA HB3 . 19961 1 1427 . 1 1 63 63 ALA CB C 13 18.226 0.000 . 1 . . . A 63 ALA CB . 19961 1 1428 . 1 1 65 65 LEU H H 1 7.408 0.000 . 1 . . . A 65 LEU H . 19961 1 1429 . 1 1 65 65 LEU HG H 1 1.732 0.000 . 1 . . . A 65 LEU HG . 19961 1 1430 . 1 1 65 65 LEU HD11 H 1 0.850 0.000 . 2 . . . A 65 LEU HD11 . 19961 1 1431 . 1 1 65 65 LEU HD12 H 1 0.850 0.000 . 2 . . . A 65 LEU HD12 . 19961 1 1432 . 1 1 65 65 LEU HD13 H 1 0.850 0.000 . 2 . . . A 65 LEU HD13 . 19961 1 1433 . 1 1 65 65 LEU HD21 H 1 0.950 0.000 . 2 . . . A 65 LEU HD21 . 19961 1 1434 . 1 1 65 65 LEU HD22 H 1 0.950 0.000 . 2 . . . A 65 LEU HD22 . 19961 1 1435 . 1 1 65 65 LEU HD23 H 1 0.950 0.000 . 2 . . . A 65 LEU HD23 . 19961 1 1436 . 1 1 65 65 LEU CD1 C 13 26.185 0.000 . 2 . . . A 65 LEU CD1 . 19961 1 1437 . 1 1 65 65 LEU CD2 C 13 22.179 0.000 . 2 . . . A 65 LEU CD2 . 19961 1 1438 . 1 1 65 65 LEU N N 15 116.978 0.000 . 1 . . . A 65 LEU N . 19961 1 1439 . 1 1 66 66 GLU HB2 H 1 2.357 0.000 . 2 . . . A 66 GLU HB2 . 19961 1 1440 . 1 1 66 66 GLU HB3 H 1 2.241 0.000 . 2 . . . A 66 GLU HB3 . 19961 1 1441 . 1 1 66 66 GLU HG2 H 1 2.226 0.000 . 2 . . . A 66 GLU HG2 . 19961 1 1442 . 1 1 66 66 GLU HG3 H 1 2.195 0.000 . 2 . . . A 66 GLU HG3 . 19961 1 1443 . 1 1 66 66 GLU CG C 13 36.830 0.000 . 1 . . . A 66 GLU CG . 19961 1 1444 . 1 1 67 67 MET HG2 H 1 2.199 0.000 . 2 . . . A 67 MET HG2 . 19961 1 1445 . 1 1 67 67 MET HG3 H 1 1.375 0.000 . 2 . . . A 67 MET HG3 . 19961 1 1446 . 1 1 67 67 MET HE1 H 1 1.580 0.000 . 1 . . . A 67 MET HE1 . 19961 1 1447 . 1 1 67 67 MET HE2 H 1 1.580 0.000 . 1 . . . A 67 MET HE2 . 19961 1 1448 . 1 1 67 67 MET HE3 H 1 1.580 0.000 . 1 . . . A 67 MET HE3 . 19961 1 1449 . 1 1 67 67 MET CG C 13 33.505 0.000 . 1 . . . A 67 MET CG . 19961 1 1450 . 1 1 67 67 MET CE C 13 88.200 0.000 . 1 . . . A 67 MET CE . 19961 1 1451 . 1 1 69 69 ASP HB2 H 1 2.725 0.000 . 2 . . . A 69 ASP HB2 . 19961 1 1452 . 1 1 69 69 ASP HB3 H 1 2.677 0.000 . 2 . . . A 69 ASP HB3 . 19961 1 1453 . 1 1 70 70 GLU HG2 H 1 2.346 0.000 . 2 . . . A 70 GLU HG2 . 19961 1 1454 . 1 1 70 70 GLU HG3 H 1 2.110 0.000 . 2 . . . A 70 GLU HG3 . 19961 1 1455 . 1 1 70 70 GLU CG C 13 36.208 0.000 . 1 . . . A 70 GLU CG . 19961 1 1456 . 1 1 71 71 ASP HB2 H 1 3.018 0.000 . 2 . . . A 71 ASP HB2 . 19961 1 1457 . 1 1 71 71 ASP HB3 H 1 2.758 0.000 . 2 . . . A 71 ASP HB3 . 19961 1 1458 . 1 1 72 72 THR H H 1 8.396 0.000 . 1 . . . A 72 THR H . 19961 1 1459 . 1 1 72 72 THR HB H 1 4.012 0.000 . 1 . . . A 72 THR HB . 19961 1 1460 . 1 1 72 72 THR HG21 H 1 1.147 0.000 . 1 . . . A 72 THR HG21 . 19961 1 1461 . 1 1 72 72 THR HG22 H 1 1.147 0.000 . 1 . . . A 72 THR HG22 . 19961 1 1462 . 1 1 72 72 THR HG23 H 1 1.147 0.000 . 1 . . . A 72 THR HG23 . 19961 1 1463 . 1 1 72 72 THR CG2 C 13 22.340 0.000 . 1 . . . A 72 THR CG2 . 19961 1 1464 . 1 1 72 72 THR N N 15 113.665 0.000 . 1 . . . A 72 THR N . 19961 1 1465 . 1 1 73 73 ILE HB H 1 1.820 0.000 . 1 . . . A 73 ILE HB . 19961 1 1466 . 1 1 73 73 ILE HG12 H 1 1.671 0.000 . 2 . . . A 73 ILE HG12 . 19961 1 1467 . 1 1 73 73 ILE HG13 H 1 0.872 0.000 . 2 . . . A 73 ILE HG13 . 19961 1 1468 . 1 1 73 73 ILE HG21 H 1 0.992 0.000 . 1 . . . A 73 ILE HG21 . 19961 1 1469 . 1 1 73 73 ILE HG22 H 1 0.992 0.000 . 1 . . . A 73 ILE HG22 . 19961 1 1470 . 1 1 73 73 ILE HG23 H 1 0.992 0.000 . 1 . . . A 73 ILE HG23 . 19961 1 1471 . 1 1 73 73 ILE HD11 H 1 0.638 0.000 . 1 . . . A 73 ILE HD11 . 19961 1 1472 . 1 1 73 73 ILE HD12 H 1 0.638 0.000 . 1 . . . A 73 ILE HD12 . 19961 1 1473 . 1 1 73 73 ILE HD13 H 1 0.638 0.000 . 1 . . . A 73 ILE HD13 . 19961 1 1474 . 1 1 73 73 ILE CG1 C 13 28.288 0.000 . 1 . . . A 73 ILE CG1 . 19961 1 1475 . 1 1 73 73 ILE CG2 C 13 18.590 0.000 . 1 . . . A 73 ILE CG2 . 19961 1 1476 . 1 1 73 73 ILE CD1 C 13 14.773 0.000 . 1 . . . A 73 ILE CD1 . 19961 1 1477 . 1 1 75 75 VAL HB H 1 1.570 0.000 . 1 . . . A 75 VAL HB . 19961 1 1478 . 1 1 75 75 VAL HG11 H 1 0.515 0.000 . 2 . . . A 75 VAL HG11 . 19961 1 1479 . 1 1 75 75 VAL HG12 H 1 0.515 0.000 . 2 . . . A 75 VAL HG12 . 19961 1 1480 . 1 1 75 75 VAL HG13 H 1 0.515 0.000 . 2 . . . A 75 VAL HG13 . 19961 1 1481 . 1 1 75 75 VAL HG21 H 1 0.370 0.000 . 2 . . . A 75 VAL HG21 . 19961 1 1482 . 1 1 75 75 VAL HG22 H 1 0.370 0.000 . 2 . . . A 75 VAL HG22 . 19961 1 1483 . 1 1 75 75 VAL HG23 H 1 0.370 0.000 . 2 . . . A 75 VAL HG23 . 19961 1 1484 . 1 1 75 75 VAL CG1 C 13 21.384 0.000 . 2 . . . A 75 VAL CG1 . 19961 1 1485 . 1 1 75 75 VAL CG2 C 13 22.106 0.000 . 2 . . . A 75 VAL CG2 . 19961 1 1486 . 1 1 76 76 PHE HD1 H 1 7.059 0.000 . 1 . . . A 76 PHE HD1 . 19961 1 1487 . 1 1 76 76 PHE HD2 H 1 7.059 0.000 . 1 . . . A 76 PHE HD2 . 19961 1 1488 . 1 1 76 76 PHE HE1 H 1 7.180 0.000 . 1 . . . A 76 PHE HE1 . 19961 1 1489 . 1 1 76 76 PHE HE2 H 1 7.180 0.000 . 1 . . . A 76 PHE HE2 . 19961 1 1490 . 1 1 76 76 PHE CD1 C 13 131.934 0.000 . 1 . . . A 76 PHE CD1 . 19961 1 1491 . 1 1 76 76 PHE CD2 C 13 131.934 0.000 . 1 . . . A 76 PHE CD2 . 19961 1 1492 . 1 1 76 76 PHE CE1 C 13 61.404 0.000 . 1 . . . A 76 PHE CE1 . 19961 1 1493 . 1 1 76 76 PHE CE2 C 13 61.404 0.000 . 1 . . . A 76 PHE CE2 . 19961 1 1494 . 1 1 77 77 GLN HG2 H 1 2.339 0.000 . 1 . . . A 77 GLN HG2 . 19961 1 1495 . 1 1 77 77 GLN HG3 H 1 2.339 0.000 . 1 . . . A 77 GLN HG3 . 19961 1 1496 . 1 1 77 77 GLN HE21 H 1 7.577 0.000 . 1 . . . A 77 GLN HE21 . 19961 1 1497 . 1 1 77 77 GLN HE22 H 1 6.747 0.000 . 1 . . . A 77 GLN HE22 . 19961 1 1498 . 1 1 77 77 GLN NE2 N 15 110.883 0.000 . 1 . . . A 77 GLN NE2 . 19961 1 1499 . 1 1 78 78 GLN HE21 H 1 7.368 0.000 . 1 . . . A 78 GLN HE21 . 19961 1 1500 . 1 1 78 78 GLN HE22 H 1 6.814 0.000 . 1 . . . A 78 GLN HE22 . 19961 1 1501 . 1 1 78 78 GLN NE2 N 15 111.422 0.000 . 1 . . . A 78 GLN NE2 . 19961 1 1502 . 1 1 79 79 GLN HG2 H 1 2.421 0.000 . 2 . . . A 79 GLN HG2 . 19961 1 1503 . 1 1 79 79 GLN HG3 H 1 2.420 0.000 . 2 . . . A 79 GLN HG3 . 19961 1 1504 . 1 1 79 79 GLN HE21 H 1 7.510 0.000 . 1 . . . A 79 GLN HE21 . 19961 1 1505 . 1 1 79 79 GLN HE22 H 1 6.846 0.000 . 1 . . . A 79 GLN HE22 . 19961 1 1506 . 1 1 79 79 GLN CG C 13 33.841 0.000 . 1 . . . A 79 GLN CG . 19961 1 1507 . 1 1 79 79 GLN NE2 N 15 112.140 0.000 . 1 . . . A 79 GLN NE2 . 19961 1 1508 . 1 1 80 80 THR HB H 1 4.293 0.000 . 1 . . . A 80 THR HB . 19961 1 1509 . 1 1 80 80 THR HG21 H 1 1.248 0.000 . 1 . . . A 80 THR HG21 . 19961 1 1510 . 1 1 80 80 THR HG22 H 1 1.248 0.000 . 1 . . . A 80 THR HG22 . 19961 1 1511 . 1 1 80 80 THR HG23 H 1 1.248 0.000 . 1 . . . A 80 THR HG23 . 19961 1 1512 . 1 1 80 80 THR CG2 C 13 21.591 0.000 . 1 . . . A 80 THR CG2 . 19961 1 1513 . 1 1 81 81 GLY HA2 H 1 4.061 0.000 . 2 . . . A 81 GLY HA2 . 19961 1 1514 . 1 1 81 81 GLY HA3 H 1 4.014 0.000 . 2 . . . A 81 GLY HA3 . 19961 1 1515 . 1 1 82 82 GLY HA2 H 1 4.030 0.000 . 2 . . . A 82 GLY HA2 . 19961 1 1516 . 1 1 82 82 GLY HA3 H 1 3.890 0.000 . 2 . . . A 82 GLY HA3 . 19961 1 stop_ save_